USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 70 TRP H : A 70 TRP N : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1M : A 110 RCY C1M : A 12 SER OG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1ZA : A 130 RCY C1Z : A 58 GLU CD :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VB : A 130 RCY C1V : A 30 CYS O :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1V : A 130 RCY C1V : A 30 CYS O :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1LA : A 138 RCY C1L : A 37 GLN O :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CB : A 138 RCY C1C : A 150 RCY O1H :(H bumps) USER MOD NoAdj-H: A 138 RCY H1U : A 138 RCY C1U : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1M : A 138 RCY C1M : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1LA : A 150 RCY C1L : A 41 LYS CG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CB : A 160 RCY C1C : A 58 GLU CA :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CA : A 160 RCY C1C : A 58 GLU CA :(H bumps) USER MOD NoAdj-H: A 160 RCY H1U : A 160 RCY C1U : A 130 RCY C1P :(H bumps) USER MOD NoAdj-H: A 160 RCY H1C : A 160 RCY C1C : A 58 GLU CA :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CB : A 168 RCY C1C : A 64 ILE CB :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 64 ILE CB :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 64 ILE CB :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 176 RCY C1U :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 69 PRO CA :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 69 PRO CA :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Set 1.1: A 79 HIS :FLIP no HD1:sc= -0.268 F(o=-1.1,f=-0.27) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.284 (180deg=-1.63!) USER MOD Single : A 2 ASN : amide:sc= -0.599 X(o=-0.6,f=-0.9) USER MOD Single : A 7 LYS NZ :NH3+ 153:sc= -1.52! (180deg=-2.41!) USER MOD Single : A 14 THR OG1 : rot 44:sc= -0.235! USER MOD Single : A 17 MET CE :methyl -176:sc= -0.0314 (180deg=-0.0551) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= -0.237 (180deg=-0.993) USER MOD Single : A 32 GLN : amide:sc= -8.39! C(o=-8.4!,f=-12!) USER MOD Single : A 34 GLN : amide:sc= -0.79 K(o=-0.79,f=-3.2!) USER MOD Single : A 35 THR OG1 : rot -69:sc= -2.01! USER MOD Single : A 37 GLN :FLIP amide:sc= -4.36! C(o=-9.5!,f=-4.4!) USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0123) USER MOD Single : A 40 SER OG : rot 180:sc= -0.751 USER MOD Single : A 41 LYS NZ :NH3+ -106:sc= -0.801 (180deg=-1.24) USER MOD Single : A 44 LYS NZ :NH3+ 144:sc= -0.287 (180deg=-1.54!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 8:sc= 0.223! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -3.47! C(o=-3.5!,f=-5.2!) USER MOD Single : A 75 HIS : no HE2:sc= -0.135 K(o=-0.14,f=-1.9) USER MOD Single : A 83 GLN : amide:sc= -0.599 K(o=-0.6,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 76.079 -13.514 27.433 1.00 1.00 N ATOM 2 CA MET A 1 75.379 -13.958 26.195 1.00 1.00 C ATOM 3 C MET A 1 73.942 -13.433 26.206 1.00 1.00 C ATOM 4 O MET A 1 73.377 -13.164 27.248 1.00 1.00 O ATOM 5 CB MET A 1 75.366 -15.488 26.137 1.00 1.00 C ATOM 6 CG MET A 1 75.057 -16.050 27.526 1.00 1.00 C ATOM 7 SD MET A 1 76.550 -15.989 28.547 1.00 1.00 S ATOM 8 CE MET A 1 75.739 -16.212 30.149 1.00 1.00 C ATOM 0 H1 MET A 1 76.702 -14.275 27.771 1.00 1.00 H new ATOM 0 H2 MET A 1 76.647 -12.667 27.226 1.00 1.00 H new ATOM 0 H3 MET A 1 75.377 -13.289 28.167 1.00 1.00 H new ATOM 0 HA MET A 1 75.901 -13.567 25.321 1.00 1.00 H new ATOM 0 HB2 MET A 1 74.618 -15.829 25.421 1.00 1.00 H new ATOM 0 HB3 MET A 1 76.331 -15.857 25.790 1.00 1.00 H new ATOM 0 HG2 MET A 1 74.259 -15.473 27.994 1.00 1.00 H new ATOM 0 HG3 MET A 1 74.701 -17.077 27.444 1.00 1.00 H new ATOM 0 HE1 MET A 1 76.489 -16.206 30.940 1.00 1.00 H new ATOM 0 HE2 MET A 1 75.030 -15.400 30.314 1.00 1.00 H new ATOM 0 HE3 MET A 1 75.209 -17.164 30.159 1.00 1.00 H new ATOM 17 N ASN A 2 73.346 -13.285 25.055 1.00 1.00 N ATOM 18 CA ASN A 2 71.946 -12.778 24.999 1.00 1.00 C ATOM 19 C ASN A 2 71.466 -12.766 23.547 1.00 1.00 C ATOM 20 O ASN A 2 70.312 -13.021 23.262 1.00 1.00 O ATOM 21 CB ASN A 2 71.896 -11.357 25.566 1.00 1.00 C ATOM 22 CG ASN A 2 73.090 -10.556 25.042 1.00 1.00 C ATOM 23 OD1 ASN A 2 73.059 -10.049 23.939 1.00 1.00 O ATOM 24 ND2 ASN A 2 74.148 -10.420 25.793 1.00 1.00 N ATOM 0 H ASN A 2 73.768 -13.493 24.150 1.00 1.00 H new ATOM 0 HA ASN A 2 71.300 -13.428 25.589 1.00 1.00 H new ATOM 0 HB2 ASN A 2 70.964 -10.871 25.277 1.00 1.00 H new ATOM 0 HB3 ASN A 2 71.915 -11.388 26.655 1.00 1.00 H new ATOM 0 HD21 ASN A 2 74.949 -9.888 25.454 1.00 1.00 H new ATOM 0 HD22 ASN A 2 74.174 -10.846 26.719 1.00 1.00 H new ATOM 31 N LEU A 3 72.342 -12.472 22.625 1.00 1.00 N ATOM 32 CA LEU A 3 71.936 -12.444 21.191 1.00 1.00 C ATOM 33 C LEU A 3 72.003 -13.860 20.614 1.00 1.00 C ATOM 34 O LEU A 3 72.990 -14.254 20.025 1.00 1.00 O ATOM 35 CB LEU A 3 72.886 -11.529 20.411 1.00 1.00 C ATOM 36 CG LEU A 3 72.269 -11.183 19.055 1.00 1.00 C ATOM 37 CD1 LEU A 3 71.357 -9.964 19.205 1.00 1.00 C ATOM 38 CD2 LEU A 3 73.383 -10.865 18.055 1.00 1.00 C ATOM 0 H LEU A 3 73.322 -12.250 22.803 1.00 1.00 H new ATOM 0 HA LEU A 3 70.917 -12.066 21.108 1.00 1.00 H new ATOM 0 HB2 LEU A 3 73.076 -10.618 20.978 1.00 1.00 H new ATOM 0 HB3 LEU A 3 73.847 -12.023 20.269 1.00 1.00 H new ATOM 0 HG LEU A 3 71.686 -12.031 18.694 1.00 1.00 H new ATOM 0 HD11 LEU A 3 70.917 -9.717 18.239 1.00 1.00 H new ATOM 0 HD12 LEU A 3 70.564 -10.189 19.918 1.00 1.00 H new ATOM 0 HD13 LEU A 3 71.939 -9.116 19.566 1.00 1.00 H new ATOM 0 HD21 LEU A 3 72.944 -10.618 17.088 1.00 1.00 H new ATOM 0 HD22 LEU A 3 73.965 -10.017 18.416 1.00 1.00 H new ATOM 0 HD23 LEU A 3 74.034 -11.733 17.947 1.00 1.00 H new ATOM 50 N GLU A 4 70.961 -14.628 20.777 1.00 1.00 N ATOM 51 CA GLU A 4 70.968 -16.017 20.237 1.00 1.00 C ATOM 52 C GLU A 4 70.831 -15.967 18.710 1.00 1.00 C ATOM 53 O GLU A 4 70.236 -15.057 18.168 1.00 1.00 O ATOM 54 CB GLU A 4 69.795 -16.800 20.833 1.00 1.00 C ATOM 55 CG GLU A 4 68.564 -15.895 20.910 1.00 1.00 C ATOM 56 CD GLU A 4 67.317 -16.748 21.148 1.00 1.00 C ATOM 57 OE1 GLU A 4 67.106 -17.151 22.280 1.00 1.00 O ATOM 58 OE2 GLU A 4 66.593 -16.985 20.194 1.00 1.00 O ATOM 0 H GLU A 4 70.106 -14.354 21.260 1.00 1.00 H new ATOM 0 HA GLU A 4 71.903 -16.510 20.502 1.00 1.00 H new ATOM 0 HB2 GLU A 4 69.579 -17.675 20.220 1.00 1.00 H new ATOM 0 HB3 GLU A 4 70.055 -17.164 21.827 1.00 1.00 H new ATOM 0 HG2 GLU A 4 68.682 -15.171 21.716 1.00 1.00 H new ATOM 0 HG3 GLU A 4 68.458 -15.328 19.985 1.00 1.00 H new ATOM 65 N PRO A 5 71.376 -16.939 18.023 1.00 1.00 N ATOM 66 CA PRO A 5 71.317 -17.012 16.538 1.00 1.00 C ATOM 67 C PRO A 5 69.990 -16.482 15.977 1.00 1.00 C ATOM 68 O PRO A 5 68.996 -17.181 15.960 1.00 1.00 O ATOM 69 CB PRO A 5 71.458 -18.509 16.269 1.00 1.00 C ATOM 70 CG PRO A 5 72.307 -19.026 17.386 1.00 1.00 C ATOM 71 CD PRO A 5 72.107 -18.087 18.583 1.00 1.00 C ATOM 0 HA PRO A 5 72.082 -16.400 16.061 1.00 1.00 H new ATOM 0 HB2 PRO A 5 70.485 -19.000 16.253 1.00 1.00 H new ATOM 0 HB3 PRO A 5 71.924 -18.694 15.301 1.00 1.00 H new ATOM 0 HG2 PRO A 5 72.022 -20.046 17.645 1.00 1.00 H new ATOM 0 HG3 PRO A 5 73.356 -19.054 17.090 1.00 1.00 H new ATOM 0 HD2 PRO A 5 71.540 -18.571 19.378 1.00 1.00 H new ATOM 0 HD3 PRO A 5 73.061 -17.781 19.013 1.00 1.00 H new ATOM 79 N PRO A 6 69.972 -15.254 15.522 1.00 1.00 N ATOM 80 CA PRO A 6 68.752 -14.622 14.955 1.00 1.00 C ATOM 81 C PRO A 6 68.582 -14.926 13.461 1.00 1.00 C ATOM 82 O PRO A 6 69.543 -15.144 12.750 1.00 1.00 O ATOM 83 CB PRO A 6 69.005 -13.133 15.177 1.00 1.00 C ATOM 84 CG PRO A 6 70.491 -12.978 15.102 1.00 1.00 C ATOM 85 CD PRO A 6 71.111 -14.323 15.502 1.00 1.00 C ATOM 0 HA PRO A 6 67.838 -14.989 15.422 1.00 1.00 H new ATOM 0 HB2 PRO A 6 68.506 -12.530 14.418 1.00 1.00 H new ATOM 0 HB3 PRO A 6 68.622 -12.807 16.144 1.00 1.00 H new ATOM 0 HG2 PRO A 6 70.798 -12.698 14.094 1.00 1.00 H new ATOM 0 HG3 PRO A 6 70.829 -12.185 15.770 1.00 1.00 H new ATOM 0 HD2 PRO A 6 71.871 -14.639 14.788 1.00 1.00 H new ATOM 0 HD3 PRO A 6 71.595 -14.264 16.477 1.00 1.00 H new ATOM 93 N LYS A 7 67.368 -14.939 12.982 1.00 1.00 N ATOM 94 CA LYS A 7 67.140 -15.226 11.536 1.00 1.00 C ATOM 95 C LYS A 7 67.260 -13.926 10.736 1.00 1.00 C ATOM 96 O LYS A 7 66.438 -13.038 10.849 1.00 1.00 O ATOM 97 CB LYS A 7 65.740 -15.818 11.347 1.00 1.00 C ATOM 98 CG LYS A 7 64.764 -15.140 12.311 1.00 1.00 C ATOM 99 CD LYS A 7 63.330 -15.367 11.829 1.00 1.00 C ATOM 100 CE LYS A 7 63.089 -16.864 11.627 1.00 1.00 C ATOM 101 NZ LYS A 7 63.693 -17.621 12.759 1.00 1.00 N ATOM 0 H LYS A 7 66.525 -14.764 13.528 1.00 1.00 H new ATOM 0 HA LYS A 7 67.884 -15.940 11.183 1.00 1.00 H new ATOM 0 HB2 LYS A 7 65.409 -15.676 10.318 1.00 1.00 H new ATOM 0 HB3 LYS A 7 65.760 -16.892 11.529 1.00 1.00 H new ATOM 0 HG2 LYS A 7 64.889 -15.544 13.316 1.00 1.00 H new ATOM 0 HG3 LYS A 7 64.975 -14.072 12.368 1.00 1.00 H new ATOM 0 HD2 LYS A 7 62.623 -14.969 12.557 1.00 1.00 H new ATOM 0 HD3 LYS A 7 63.160 -14.831 10.895 1.00 1.00 H new ATOM 0 HE2 LYS A 7 62.020 -17.067 11.569 1.00 1.00 H new ATOM 0 HE3 LYS A 7 63.526 -17.190 10.683 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 63.180 -18.516 12.891 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 64.691 -17.822 12.549 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 63.630 -17.054 13.629 1.00 1.00 H new ATOM 115 N ALA A 8 68.278 -13.805 9.928 1.00 1.00 N ATOM 116 CA ALA A 8 68.446 -12.562 9.124 1.00 1.00 C ATOM 117 C ALA A 8 69.554 -12.768 8.089 1.00 1.00 C ATOM 118 O ALA A 8 70.050 -11.826 7.502 1.00 1.00 O ATOM 119 CB ALA A 8 68.820 -11.403 10.050 1.00 1.00 C ATOM 0 H ALA A 8 69.000 -14.513 9.790 1.00 1.00 H new ATOM 0 HA ALA A 8 67.512 -12.331 8.612 1.00 1.00 H new ATOM 0 HB1 ALA A 8 68.943 -10.493 9.463 1.00 1.00 H new ATOM 0 HB2 ALA A 8 68.030 -11.256 10.786 1.00 1.00 H new ATOM 0 HB3 ALA A 8 69.754 -11.633 10.562 1.00 1.00 H new ATOM 125 N GLU A 9 69.947 -13.991 7.860 1.00 1.00 N ATOM 126 CA GLU A 9 71.023 -14.252 6.862 1.00 1.00 C ATOM 127 C GLU A 9 70.433 -14.192 5.451 1.00 1.00 C ATOM 128 O GLU A 9 70.647 -13.247 4.717 1.00 1.00 O ATOM 129 CB GLU A 9 71.622 -15.639 7.107 1.00 1.00 C ATOM 130 CG GLU A 9 72.960 -15.755 6.374 1.00 1.00 C ATOM 131 CD GLU A 9 74.018 -14.928 7.108 1.00 1.00 C ATOM 132 OE1 GLU A 9 74.625 -15.458 8.023 1.00 1.00 O ATOM 133 OE2 GLU A 9 74.202 -13.779 6.742 1.00 1.00 O ATOM 0 H GLU A 9 69.570 -14.820 8.320 1.00 1.00 H new ATOM 0 HA GLU A 9 71.803 -13.498 6.963 1.00 1.00 H new ATOM 0 HB2 GLU A 9 71.765 -15.801 8.175 1.00 1.00 H new ATOM 0 HB3 GLU A 9 70.936 -16.410 6.757 1.00 1.00 H new ATOM 0 HG2 GLU A 9 73.270 -16.799 6.324 1.00 1.00 H new ATOM 0 HG3 GLU A 9 72.856 -15.403 5.348 1.00 1.00 H new ATOM 140 N CYS A 10 69.690 -15.194 5.066 1.00 1.00 N ATOM 141 CA CYS A 10 69.084 -15.196 3.704 1.00 1.00 C ATOM 142 C CYS A 10 67.804 -16.035 3.718 1.00 1.00 C ATOM 143 O CYS A 10 66.737 -15.563 3.380 1.00 1.00 O ATOM 144 CB CYS A 10 70.075 -15.796 2.704 1.00 1.00 C ATOM 145 SG CYS A 10 69.212 -16.198 1.165 1.00 1.00 S ATOM 0 H CYS A 10 69.476 -16.012 5.637 1.00 1.00 H new ATOM 0 HA CYS A 10 68.847 -14.173 3.411 1.00 1.00 H new ATOM 0 HB2 CYS A 10 70.882 -15.090 2.507 1.00 1.00 H new ATOM 0 HB3 CYS A 10 70.532 -16.693 3.122 1.00 1.00 H new ATOM 150 N ARG A 11 67.904 -17.278 4.105 1.00 1.00 N ATOM 151 CA ARG A 11 66.694 -18.150 4.140 1.00 1.00 C ATOM 152 C ARG A 11 65.537 -17.396 4.798 1.00 1.00 C ATOM 153 O ARG A 11 64.568 -17.044 4.155 1.00 1.00 O ATOM 154 CB ARG A 11 67.001 -19.415 4.945 1.00 1.00 C ATOM 155 CG ARG A 11 67.896 -20.342 4.121 1.00 1.00 C ATOM 156 CD ARG A 11 67.112 -20.878 2.922 1.00 1.00 C ATOM 157 NE ARG A 11 67.439 -20.070 1.713 1.00 1.00 N ATOM 158 CZ ARG A 11 67.210 -20.554 0.523 1.00 1.00 C ATOM 159 NH1 ARG A 11 66.694 -21.746 0.392 1.00 1.00 N ATOM 160 NH2 ARG A 11 67.496 -19.847 -0.535 1.00 1.00 N ATOM 0 H ARG A 11 68.771 -17.728 4.399 1.00 1.00 H new ATOM 0 HA ARG A 11 66.415 -18.424 3.122 1.00 1.00 H new ATOM 0 HB2 ARG A 11 67.495 -19.152 5.880 1.00 1.00 H new ATOM 0 HB3 ARG A 11 66.074 -19.926 5.207 1.00 1.00 H new ATOM 0 HG2 ARG A 11 68.779 -19.802 3.779 1.00 1.00 H new ATOM 0 HG3 ARG A 11 68.247 -21.169 4.738 1.00 1.00 H new ATOM 0 HD2 ARG A 11 67.360 -21.925 2.751 1.00 1.00 H new ATOM 0 HD3 ARG A 11 66.042 -20.833 3.124 1.00 1.00 H new ATOM 0 HE ARG A 11 67.842 -19.139 1.816 1.00 1.00 H new ATOM 0 HH11 ARG A 11 66.470 -22.299 1.220 1.00 1.00 H new ATOM 0 HH12 ARG A 11 66.515 -22.125 -0.538 1.00 1.00 H new ATOM 0 HH21 ARG A 11 67.899 -18.916 -0.432 1.00 1.00 H new ATOM 0 HH22 ARG A 11 67.317 -20.226 -1.465 1.00 1.00 H new ATOM 174 N SER A 12 65.629 -17.146 6.076 1.00 1.00 N ATOM 175 CA SER A 12 64.533 -16.415 6.775 1.00 1.00 C ATOM 176 C SER A 12 63.183 -17.015 6.376 1.00 1.00 C ATOM 177 O SER A 12 62.881 -18.150 6.688 1.00 1.00 O ATOM 178 CB SER A 12 64.574 -14.938 6.381 1.00 1.00 C ATOM 179 OG SER A 12 64.742 -14.832 4.974 1.00 1.00 O ATOM 0 H SER A 12 66.416 -17.416 6.666 1.00 1.00 H new ATOM 0 HA SER A 12 64.665 -16.506 7.853 1.00 1.00 H new ATOM 0 HB2 SER A 12 63.653 -14.442 6.687 1.00 1.00 H new ATOM 0 HB3 SER A 12 65.393 -14.435 6.896 1.00 1.00 H new ATOM 185 N ALA A 13 62.366 -16.262 5.690 1.00 1.00 N ATOM 186 CA ALA A 13 61.037 -16.792 5.273 1.00 1.00 C ATOM 187 C ALA A 13 60.350 -15.783 4.351 1.00 1.00 C ATOM 188 O ALA A 13 59.370 -15.166 4.716 1.00 1.00 O ATOM 189 CB ALA A 13 60.169 -17.023 6.512 1.00 1.00 C ATOM 0 H ALA A 13 62.562 -15.304 5.401 1.00 1.00 H new ATOM 0 HA ALA A 13 61.173 -17.734 4.742 1.00 1.00 H new ATOM 0 HB1 ALA A 13 59.197 -17.411 6.208 1.00 1.00 H new ATOM 0 HB2 ALA A 13 60.657 -17.743 7.169 1.00 1.00 H new ATOM 0 HB3 ALA A 13 60.034 -16.080 7.043 1.00 1.00 H new ATOM 195 N THR A 14 60.859 -15.613 3.159 1.00 1.00 N ATOM 196 CA THR A 14 60.244 -14.646 2.203 1.00 1.00 C ATOM 197 C THR A 14 60.082 -13.284 2.882 1.00 1.00 C ATOM 198 O THR A 14 59.271 -13.112 3.769 1.00 1.00 O ATOM 199 CB THR A 14 58.873 -15.166 1.751 1.00 1.00 C ATOM 200 OG1 THR A 14 58.188 -15.720 2.865 1.00 1.00 O ATOM 201 CG2 THR A 14 59.061 -16.240 0.678 1.00 1.00 C ATOM 0 H THR A 14 61.679 -16.105 2.805 1.00 1.00 H new ATOM 0 HA THR A 14 60.891 -14.539 1.333 1.00 1.00 H new ATOM 0 HB THR A 14 58.289 -14.343 1.339 1.00 1.00 H new ATOM 0 HG1 THR A 14 58.293 -15.130 3.640 1.00 1.00 H new ATOM 0 HG21 THR A 14 58.087 -16.609 0.358 1.00 1.00 H new ATOM 0 HG22 THR A 14 59.586 -15.813 -0.176 1.00 1.00 H new ATOM 0 HG23 THR A 14 59.644 -17.065 1.087 1.00 1.00 H new ATOM 209 N ARG A 15 60.852 -12.314 2.472 1.00 1.00 N ATOM 210 CA ARG A 15 60.746 -10.966 3.094 1.00 1.00 C ATOM 211 C ARG A 15 59.411 -10.324 2.708 1.00 1.00 C ATOM 212 O ARG A 15 59.374 -9.253 2.136 1.00 1.00 O ATOM 213 CB ARG A 15 61.898 -10.084 2.600 1.00 1.00 C ATOM 214 CG ARG A 15 61.944 -8.793 3.419 1.00 1.00 C ATOM 215 CD ARG A 15 62.791 -9.013 4.674 1.00 1.00 C ATOM 216 NE ARG A 15 62.367 -8.057 5.734 1.00 1.00 N ATOM 217 CZ ARG A 15 62.570 -6.777 5.578 1.00 1.00 C ATOM 218 NH1 ARG A 15 63.144 -6.335 4.492 1.00 1.00 N ATOM 219 NH2 ARG A 15 62.198 -5.939 6.507 1.00 1.00 N ATOM 0 H ARG A 15 61.550 -12.398 1.733 1.00 1.00 H new ATOM 0 HA ARG A 15 60.800 -11.063 4.178 1.00 1.00 H new ATOM 0 HB2 ARG A 15 62.844 -10.618 2.692 1.00 1.00 H new ATOM 0 HB3 ARG A 15 61.764 -9.852 1.543 1.00 1.00 H new ATOM 0 HG2 ARG A 15 62.365 -7.985 2.820 1.00 1.00 H new ATOM 0 HG3 ARG A 15 60.934 -8.491 3.697 1.00 1.00 H new ATOM 0 HD2 ARG A 15 62.677 -10.038 5.027 1.00 1.00 H new ATOM 0 HD3 ARG A 15 63.847 -8.871 4.443 1.00 1.00 H new ATOM 0 HE ARG A 15 61.918 -8.402 6.582 1.00 1.00 H new ATOM 0 HH11 ARG A 15 63.434 -6.990 3.766 1.00 1.00 H new ATOM 0 HH12 ARG A 15 63.303 -5.335 4.370 1.00 1.00 H new ATOM 0 HH21 ARG A 15 61.749 -6.284 7.355 1.00 1.00 H new ATOM 0 HH22 ARG A 15 62.357 -4.939 6.385 1.00 1.00 H new ATOM 233 N VAL A 16 58.318 -10.967 3.020 1.00 1.00 N ATOM 234 CA VAL A 16 56.982 -10.397 2.677 1.00 1.00 C ATOM 235 C VAL A 16 56.917 -10.088 1.179 1.00 1.00 C ATOM 236 O VAL A 16 56.321 -10.818 0.412 1.00 1.00 O ATOM 237 CB VAL A 16 56.754 -9.111 3.474 1.00 1.00 C ATOM 238 CG1 VAL A 16 55.392 -8.517 3.108 1.00 1.00 C ATOM 239 CG2 VAL A 16 56.785 -9.428 4.971 1.00 1.00 C ATOM 0 H VAL A 16 58.292 -11.867 3.500 1.00 1.00 H new ATOM 0 HA VAL A 16 56.208 -11.123 2.927 1.00 1.00 H new ATOM 0 HB VAL A 16 57.539 -8.393 3.237 1.00 1.00 H new ATOM 0 HG11 VAL A 16 55.230 -7.601 3.676 1.00 1.00 H new ATOM 0 HG12 VAL A 16 55.368 -8.292 2.042 1.00 1.00 H new ATOM 0 HG13 VAL A 16 54.607 -9.235 3.345 1.00 1.00 H new ATOM 0 HG21 VAL A 16 56.623 -8.513 5.540 1.00 1.00 H new ATOM 0 HG22 VAL A 16 56.000 -10.146 5.207 1.00 1.00 H new ATOM 0 HG23 VAL A 16 57.755 -9.851 5.233 1.00 1.00 H new ATOM 249 N MET A 17 57.520 -9.010 0.757 1.00 1.00 N ATOM 250 CA MET A 17 57.491 -8.649 -0.689 1.00 1.00 C ATOM 251 C MET A 17 56.042 -8.453 -1.137 1.00 1.00 C ATOM 252 O MET A 17 55.115 -8.857 -0.464 1.00 1.00 O ATOM 253 CB MET A 17 58.135 -9.768 -1.514 1.00 1.00 C ATOM 254 CG MET A 17 59.441 -10.207 -0.849 1.00 1.00 C ATOM 255 SD MET A 17 60.527 -8.773 -0.648 1.00 1.00 S ATOM 256 CE MET A 17 62.047 -9.554 -1.245 1.00 1.00 C ATOM 0 H MET A 17 58.033 -8.361 1.354 1.00 1.00 H new ATOM 0 HA MET A 17 58.047 -7.724 -0.841 1.00 1.00 H new ATOM 0 HB2 MET A 17 57.453 -10.614 -1.593 1.00 1.00 H new ATOM 0 HB3 MET A 17 58.330 -9.420 -2.528 1.00 1.00 H new ATOM 0 HG2 MET A 17 59.234 -10.659 0.121 1.00 1.00 H new ATOM 0 HG3 MET A 17 59.933 -10.967 -1.456 1.00 1.00 H new ATOM 0 HE1 MET A 17 62.879 -8.858 -1.141 1.00 1.00 H new ATOM 0 HE2 MET A 17 62.249 -10.451 -0.660 1.00 1.00 H new ATOM 0 HE3 MET A 17 61.929 -9.824 -2.294 1.00 1.00 H new ATOM 266 N GLY A 18 55.842 -7.831 -2.270 1.00 1.00 N ATOM 267 CA GLY A 18 54.454 -7.600 -2.771 1.00 1.00 C ATOM 268 C GLY A 18 54.142 -6.103 -2.733 1.00 1.00 C ATOM 269 O GLY A 18 55.009 -5.284 -2.499 1.00 1.00 O ATOM 0 H GLY A 18 56.583 -7.472 -2.872 1.00 1.00 H new ATOM 0 HA2 GLY A 18 54.356 -7.977 -3.789 1.00 1.00 H new ATOM 0 HA3 GLY A 18 53.738 -8.147 -2.158 1.00 1.00 H new ATOM 273 N GLY A 19 52.910 -5.738 -2.961 1.00 1.00 N ATOM 274 CA GLY A 19 52.543 -4.293 -2.939 1.00 1.00 C ATOM 275 C GLY A 19 52.917 -3.653 -4.283 1.00 1.00 C ATOM 276 O GLY A 19 54.026 -3.807 -4.755 1.00 1.00 O ATOM 0 H GLY A 19 52.141 -6.378 -3.162 1.00 1.00 H new ATOM 0 HA2 GLY A 19 51.475 -4.180 -2.754 1.00 1.00 H new ATOM 0 HA3 GLY A 19 53.062 -3.787 -2.125 1.00 1.00 H new ATOM 280 N PRO A 20 52.007 -2.936 -4.902 1.00 1.00 N ATOM 281 CA PRO A 20 52.268 -2.271 -6.209 1.00 1.00 C ATOM 282 C PRO A 20 53.657 -1.624 -6.269 1.00 1.00 C ATOM 283 O PRO A 20 53.982 -0.757 -5.482 1.00 1.00 O ATOM 284 CB PRO A 20 51.174 -1.206 -6.290 1.00 1.00 C ATOM 285 CG PRO A 20 50.035 -1.764 -5.501 1.00 1.00 C ATOM 286 CD PRO A 20 50.637 -2.679 -4.428 1.00 1.00 C ATOM 0 HA PRO A 20 52.252 -2.980 -7.037 1.00 1.00 H new ATOM 0 HB2 PRO A 20 51.515 -0.257 -5.875 1.00 1.00 H new ATOM 0 HB3 PRO A 20 50.883 -1.016 -7.323 1.00 1.00 H new ATOM 0 HG2 PRO A 20 49.454 -0.963 -5.043 1.00 1.00 H new ATOM 0 HG3 PRO A 20 49.356 -2.321 -6.146 1.00 1.00 H new ATOM 0 HD2 PRO A 20 50.637 -2.199 -3.449 1.00 1.00 H new ATOM 0 HD3 PRO A 20 50.069 -3.604 -4.329 1.00 1.00 H new ATOM 294 N CYS A 21 54.475 -2.040 -7.199 1.00 1.00 N ATOM 295 CA CYS A 21 55.841 -1.453 -7.319 1.00 1.00 C ATOM 296 C CYS A 21 56.163 -1.214 -8.796 1.00 1.00 C ATOM 297 O CYS A 21 56.590 -2.107 -9.499 1.00 1.00 O ATOM 298 CB CYS A 21 56.867 -2.420 -6.720 1.00 1.00 C ATOM 299 SG CYS A 21 58.510 -2.043 -7.379 1.00 1.00 S ATOM 0 H CYS A 21 54.255 -2.764 -7.883 1.00 1.00 H new ATOM 0 HA CYS A 21 55.880 -0.506 -6.781 1.00 1.00 H new ATOM 0 HB2 CYS A 21 56.871 -2.335 -5.633 1.00 1.00 H new ATOM 0 HB3 CYS A 21 56.595 -3.448 -6.958 1.00 1.00 H new ATOM 304 N THR A 22 55.963 -0.011 -9.270 1.00 1.00 N ATOM 305 CA THR A 22 56.259 0.295 -10.701 1.00 1.00 C ATOM 306 C THR A 22 57.392 1.327 -10.775 1.00 1.00 C ATOM 307 O THR A 22 57.164 2.513 -10.646 1.00 1.00 O ATOM 308 CB THR A 22 55.002 0.873 -11.362 1.00 1.00 C ATOM 309 OG1 THR A 22 55.286 1.193 -12.716 1.00 1.00 O ATOM 310 CG2 THR A 22 54.567 2.137 -10.618 1.00 1.00 C ATOM 0 H THR A 22 55.606 0.774 -8.726 1.00 1.00 H new ATOM 0 HA THR A 22 56.561 -0.616 -11.218 1.00 1.00 H new ATOM 0 HB THR A 22 54.199 0.137 -11.323 1.00 1.00 H new ATOM 0 HG1 THR A 22 54.483 1.561 -13.140 1.00 1.00 H new ATOM 0 HG21 THR A 22 53.673 2.547 -11.089 1.00 1.00 H new ATOM 0 HG22 THR A 22 54.349 1.891 -9.579 1.00 1.00 H new ATOM 0 HG23 THR A 22 55.368 2.875 -10.656 1.00 1.00 H new ATOM 318 N PRO A 23 58.608 0.882 -10.978 1.00 1.00 N ATOM 319 CA PRO A 23 59.788 1.783 -11.068 1.00 1.00 C ATOM 320 C PRO A 23 59.993 2.337 -12.482 1.00 1.00 C ATOM 321 O PRO A 23 59.309 1.961 -13.413 1.00 1.00 O ATOM 322 CB PRO A 23 60.946 0.867 -10.675 1.00 1.00 C ATOM 323 CG PRO A 23 60.532 -0.495 -11.132 1.00 1.00 C ATOM 324 CD PRO A 23 58.998 -0.528 -11.138 1.00 1.00 C ATOM 0 HA PRO A 23 59.685 2.665 -10.436 1.00 1.00 H new ATOM 0 HB2 PRO A 23 61.875 1.178 -11.152 1.00 1.00 H new ATOM 0 HB3 PRO A 23 61.118 0.887 -9.599 1.00 1.00 H new ATOM 0 HG2 PRO A 23 60.925 -0.702 -12.128 1.00 1.00 H new ATOM 0 HG3 PRO A 23 60.930 -1.261 -10.467 1.00 1.00 H new ATOM 0 HD2 PRO A 23 58.612 -0.945 -12.068 1.00 1.00 H new ATOM 0 HD3 PRO A 23 58.609 -1.144 -10.327 1.00 1.00 H new ATOM 332 N ARG A 24 60.933 3.227 -12.648 1.00 1.00 N ATOM 333 CA ARG A 24 61.186 3.804 -13.998 1.00 1.00 C ATOM 334 C ARG A 24 61.601 2.684 -14.957 1.00 1.00 C ATOM 335 O ARG A 24 60.848 1.766 -15.213 1.00 1.00 O ATOM 336 CB ARG A 24 62.309 4.843 -13.902 1.00 1.00 C ATOM 337 CG ARG A 24 62.472 5.557 -15.245 1.00 1.00 C ATOM 338 CD ARG A 24 62.187 7.050 -15.068 1.00 1.00 C ATOM 339 NE ARG A 24 60.893 7.390 -15.726 1.00 1.00 N ATOM 340 CZ ARG A 24 59.775 7.281 -15.061 1.00 1.00 C ATOM 341 NH1 ARG A 24 59.790 6.875 -13.821 1.00 1.00 N ATOM 342 NH2 ARG A 24 58.643 7.579 -15.637 1.00 1.00 N ATOM 0 H ARG A 24 61.537 3.580 -11.906 1.00 1.00 H new ATOM 0 HA ARG A 24 60.280 4.283 -14.370 1.00 1.00 H new ATOM 0 HB2 ARG A 24 62.081 5.567 -13.120 1.00 1.00 H new ATOM 0 HB3 ARG A 24 63.244 4.357 -13.623 1.00 1.00 H new ATOM 0 HG2 ARG A 24 63.483 5.412 -15.626 1.00 1.00 H new ATOM 0 HG3 ARG A 24 61.790 5.131 -15.981 1.00 1.00 H new ATOM 0 HD2 ARG A 24 62.145 7.300 -14.008 1.00 1.00 H new ATOM 0 HD3 ARG A 24 62.994 7.639 -15.503 1.00 1.00 H new ATOM 0 HE ARG A 24 60.881 7.708 -16.695 1.00 1.00 H new ATOM 0 HH11 ARG A 24 60.675 6.643 -13.371 1.00 1.00 H new ATOM 0 HH12 ARG A 24 58.916 6.790 -13.302 1.00 1.00 H new ATOM 0 HH21 ARG A 24 58.632 7.897 -16.606 1.00 1.00 H new ATOM 0 HH22 ARG A 24 57.769 7.494 -15.118 1.00 1.00 H new ATOM 356 N LYS A 25 62.796 2.751 -15.485 1.00 1.00 N ATOM 357 CA LYS A 25 63.269 1.690 -16.426 1.00 1.00 C ATOM 358 C LYS A 25 64.485 0.986 -15.816 1.00 1.00 C ATOM 359 O LYS A 25 65.617 1.360 -16.054 1.00 1.00 O ATOM 360 CB LYS A 25 63.659 2.332 -17.766 1.00 1.00 C ATOM 361 CG LYS A 25 62.524 2.143 -18.774 1.00 1.00 C ATOM 362 CD LYS A 25 61.243 2.775 -18.225 1.00 1.00 C ATOM 363 CE LYS A 25 60.319 3.148 -19.386 1.00 1.00 C ATOM 364 NZ LYS A 25 60.717 4.477 -19.931 1.00 1.00 N ATOM 0 H LYS A 25 63.467 3.497 -15.305 1.00 1.00 H new ATOM 0 HA LYS A 25 62.474 0.964 -16.595 1.00 1.00 H new ATOM 0 HB2 LYS A 25 63.862 3.394 -17.627 1.00 1.00 H new ATOM 0 HB3 LYS A 25 64.575 1.879 -18.145 1.00 1.00 H new ATOM 0 HG2 LYS A 25 62.789 2.602 -19.726 1.00 1.00 H new ATOM 0 HG3 LYS A 25 62.366 1.082 -18.965 1.00 1.00 H new ATOM 0 HD2 LYS A 25 60.739 2.078 -17.555 1.00 1.00 H new ATOM 0 HD3 LYS A 25 61.485 3.662 -17.639 1.00 1.00 H new ATOM 0 HE2 LYS A 25 60.376 2.391 -20.168 1.00 1.00 H new ATOM 0 HE3 LYS A 25 59.284 3.178 -19.046 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 60.089 4.731 -20.720 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 60.641 5.196 -19.183 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 61.699 4.433 -20.270 1.00 1.00 H new ATOM 378 N GLY A 26 64.259 -0.031 -15.030 1.00 1.00 N ATOM 379 CA GLY A 26 65.397 -0.761 -14.403 1.00 1.00 C ATOM 380 C GLY A 26 66.200 0.205 -13.523 1.00 1.00 C ATOM 381 O GLY A 26 66.213 1.396 -13.760 1.00 1.00 O ATOM 0 H GLY A 26 63.333 -0.389 -14.795 1.00 1.00 H new ATOM 0 HA2 GLY A 26 65.024 -1.592 -13.804 1.00 1.00 H new ATOM 0 HA3 GLY A 26 66.039 -1.187 -15.174 1.00 1.00 H new ATOM 385 N PRO A 27 66.868 -0.302 -12.516 1.00 1.00 N ATOM 386 CA PRO A 27 67.686 0.539 -11.597 1.00 1.00 C ATOM 387 C PRO A 27 68.560 1.546 -12.359 1.00 1.00 C ATOM 388 O PRO A 27 68.895 1.335 -13.508 1.00 1.00 O ATOM 389 CB PRO A 27 68.563 -0.476 -10.859 1.00 1.00 C ATOM 390 CG PRO A 27 67.794 -1.756 -10.889 1.00 1.00 C ATOM 391 CD PRO A 27 66.918 -1.726 -12.146 1.00 1.00 C ATOM 0 HA PRO A 27 67.063 1.140 -10.934 1.00 1.00 H new ATOM 0 HB2 PRO A 27 69.531 -0.587 -11.347 1.00 1.00 H new ATOM 0 HB3 PRO A 27 68.757 -0.157 -9.835 1.00 1.00 H new ATOM 0 HG2 PRO A 27 68.470 -2.611 -10.911 1.00 1.00 H new ATOM 0 HG3 PRO A 27 67.180 -1.858 -9.994 1.00 1.00 H new ATOM 0 HD2 PRO A 27 67.347 -2.331 -12.945 1.00 1.00 H new ATOM 0 HD3 PRO A 27 65.922 -2.121 -11.947 1.00 1.00 H new ATOM 399 N PRO A 28 68.934 2.630 -11.725 1.00 1.00 N ATOM 400 CA PRO A 28 69.790 3.672 -12.358 1.00 1.00 C ATOM 401 C PRO A 28 70.964 3.061 -13.131 1.00 1.00 C ATOM 402 O PRO A 28 71.687 2.229 -12.621 1.00 1.00 O ATOM 403 CB PRO A 28 70.299 4.492 -11.171 1.00 1.00 C ATOM 404 CG PRO A 28 69.257 4.337 -10.112 1.00 1.00 C ATOM 405 CD PRO A 28 68.584 2.979 -10.339 1.00 1.00 C ATOM 0 HA PRO A 28 69.239 4.263 -13.090 1.00 1.00 H new ATOM 0 HB2 PRO A 28 71.267 4.128 -10.827 1.00 1.00 H new ATOM 0 HB3 PRO A 28 70.431 5.539 -11.443 1.00 1.00 H new ATOM 0 HG2 PRO A 28 69.706 4.384 -9.120 1.00 1.00 H new ATOM 0 HG3 PRO A 28 68.526 5.144 -10.169 1.00 1.00 H new ATOM 0 HD2 PRO A 28 68.949 2.231 -9.636 1.00 1.00 H new ATOM 0 HD3 PRO A 28 67.504 3.042 -10.205 1.00 1.00 H new ATOM 413 N LYS A 29 71.161 3.467 -14.356 1.00 1.00 N ATOM 414 CA LYS A 29 72.290 2.906 -15.151 1.00 1.00 C ATOM 415 C LYS A 29 73.586 3.033 -14.345 1.00 1.00 C ATOM 416 O LYS A 29 73.622 3.659 -13.304 1.00 1.00 O ATOM 417 CB LYS A 29 72.424 3.663 -16.486 1.00 1.00 C ATOM 418 CG LYS A 29 71.581 4.939 -16.439 1.00 1.00 C ATOM 419 CD LYS A 29 70.116 4.594 -16.716 1.00 1.00 C ATOM 420 CE LYS A 29 69.865 4.609 -18.225 1.00 1.00 C ATOM 421 NZ LYS A 29 68.634 3.827 -18.531 1.00 1.00 N ATOM 0 H LYS A 29 70.591 4.161 -14.839 1.00 1.00 H new ATOM 0 HA LYS A 29 72.096 1.855 -15.364 1.00 1.00 H new ATOM 0 HB2 LYS A 29 73.469 3.912 -16.671 1.00 1.00 H new ATOM 0 HB3 LYS A 29 72.097 3.029 -17.310 1.00 1.00 H new ATOM 0 HG2 LYS A 29 71.675 5.414 -15.462 1.00 1.00 H new ATOM 0 HG3 LYS A 29 71.943 5.654 -17.178 1.00 1.00 H new ATOM 0 HD2 LYS A 29 69.879 3.612 -16.307 1.00 1.00 H new ATOM 0 HD3 LYS A 29 69.462 5.312 -16.221 1.00 1.00 H new ATOM 0 HE2 LYS A 29 69.754 5.635 -18.576 1.00 1.00 H new ATOM 0 HE3 LYS A 29 70.719 4.183 -18.751 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 68.463 3.837 -19.557 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 68.757 2.846 -18.210 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 67.822 4.252 -18.040 1.00 1.00 H new ATOM 435 N CYS A 30 74.650 2.440 -14.815 1.00 1.00 N ATOM 436 CA CYS A 30 75.940 2.521 -14.074 1.00 1.00 C ATOM 437 C CYS A 30 76.618 3.860 -14.371 1.00 1.00 C ATOM 438 O CYS A 30 76.706 4.727 -13.524 1.00 1.00 O ATOM 439 CB CYS A 30 76.853 1.371 -14.514 1.00 1.00 C ATOM 440 SG CYS A 30 77.225 0.316 -13.091 1.00 1.00 S ATOM 0 H CYS A 30 74.681 1.902 -15.681 1.00 1.00 H new ATOM 0 HA CYS A 30 75.751 2.444 -13.003 1.00 1.00 H new ATOM 0 HB2 CYS A 30 76.368 0.787 -15.296 1.00 1.00 H new ATOM 0 HB3 CYS A 30 77.776 1.767 -14.938 1.00 1.00 H new ATOM 445 N LYS A 31 77.101 4.031 -15.568 1.00 1.00 N ATOM 446 CA LYS A 31 77.779 5.308 -15.927 1.00 1.00 C ATOM 447 C LYS A 31 78.882 5.603 -14.906 1.00 1.00 C ATOM 448 O LYS A 31 78.639 6.172 -13.860 1.00 1.00 O ATOM 449 CB LYS A 31 76.754 6.448 -15.927 1.00 1.00 C ATOM 450 CG LYS A 31 76.089 6.538 -17.302 1.00 1.00 C ATOM 451 CD LYS A 31 74.742 7.251 -17.173 1.00 1.00 C ATOM 452 CE LYS A 31 74.056 7.299 -18.540 1.00 1.00 C ATOM 453 NZ LYS A 31 75.069 7.593 -19.593 1.00 1.00 N ATOM 0 H LYS A 31 77.056 3.340 -16.317 1.00 1.00 H new ATOM 0 HA LYS A 31 78.221 5.222 -16.920 1.00 1.00 H new ATOM 0 HB2 LYS A 31 76.001 6.274 -15.158 1.00 1.00 H new ATOM 0 HB3 LYS A 31 77.244 7.391 -15.686 1.00 1.00 H new ATOM 0 HG2 LYS A 31 76.734 7.079 -17.995 1.00 1.00 H new ATOM 0 HG3 LYS A 31 75.946 5.539 -17.714 1.00 1.00 H new ATOM 0 HD2 LYS A 31 74.110 6.729 -16.455 1.00 1.00 H new ATOM 0 HD3 LYS A 31 74.889 8.262 -16.792 1.00 1.00 H new ATOM 0 HE2 LYS A 31 73.566 6.347 -18.747 1.00 1.00 H new ATOM 0 HE3 LYS A 31 73.280 8.064 -18.543 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 74.590 7.941 -20.448 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 75.729 8.318 -19.247 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 75.596 6.725 -19.820 1.00 1.00 H new ATOM 467 N GLN A 32 80.092 5.219 -15.205 1.00 1.00 N ATOM 468 CA GLN A 32 81.214 5.474 -14.259 1.00 1.00 C ATOM 469 C GLN A 32 82.544 5.351 -15.014 1.00 1.00 C ATOM 470 O GLN A 32 82.770 6.029 -15.997 1.00 1.00 O ATOM 471 CB GLN A 32 81.150 4.456 -13.113 1.00 1.00 C ATOM 472 CG GLN A 32 80.685 3.103 -13.655 1.00 1.00 C ATOM 473 CD GLN A 32 81.553 2.706 -14.850 1.00 1.00 C ATOM 474 OE1 GLN A 32 81.214 2.988 -15.983 1.00 1.00 O ATOM 475 NE2 GLN A 32 82.668 2.058 -14.646 1.00 1.00 N ATOM 0 H GLN A 32 80.353 4.738 -16.066 1.00 1.00 H new ATOM 0 HA GLN A 32 81.135 6.478 -13.842 1.00 1.00 H new ATOM 0 HB2 GLN A 32 82.130 4.355 -12.647 1.00 1.00 H new ATOM 0 HB3 GLN A 32 80.465 4.805 -12.341 1.00 1.00 H new ATOM 0 HG2 GLN A 32 80.752 2.344 -12.875 1.00 1.00 H new ATOM 0 HG3 GLN A 32 79.639 3.160 -13.955 1.00 1.00 H new ATOM 0 HE21 GLN A 32 82.954 1.821 -13.696 1.00 1.00 H new ATOM 0 HE22 GLN A 32 83.254 1.789 -15.437 1.00 1.00 H new ATOM 484 N ARG A 33 83.424 4.490 -14.577 1.00 1.00 N ATOM 485 CA ARG A 33 84.725 4.332 -15.287 1.00 1.00 C ATOM 486 C ARG A 33 85.432 5.686 -15.371 1.00 1.00 C ATOM 487 O ARG A 33 86.042 6.018 -16.367 1.00 1.00 O ATOM 488 CB ARG A 33 84.461 3.805 -16.699 1.00 1.00 C ATOM 489 CG ARG A 33 85.749 3.214 -17.277 1.00 1.00 C ATOM 490 CD ARG A 33 85.438 2.506 -18.597 1.00 1.00 C ATOM 491 NE ARG A 33 84.254 3.145 -19.237 1.00 1.00 N ATOM 492 CZ ARG A 33 84.062 3.022 -20.522 1.00 1.00 C ATOM 493 NH1 ARG A 33 84.906 2.339 -21.246 1.00 1.00 N ATOM 494 NH2 ARG A 33 83.025 3.582 -21.083 1.00 1.00 N ATOM 0 H ARG A 33 83.298 3.891 -13.761 1.00 1.00 H new ATOM 0 HA ARG A 33 85.358 3.631 -14.743 1.00 1.00 H new ATOM 0 HB2 ARG A 33 83.680 3.045 -16.674 1.00 1.00 H new ATOM 0 HB3 ARG A 33 84.101 4.612 -17.337 1.00 1.00 H new ATOM 0 HG2 ARG A 33 86.483 4.003 -17.440 1.00 1.00 H new ATOM 0 HG3 ARG A 33 86.189 2.511 -16.570 1.00 1.00 H new ATOM 0 HD2 ARG A 33 86.299 2.561 -19.263 1.00 1.00 H new ATOM 0 HD3 ARG A 33 85.241 1.449 -18.417 1.00 1.00 H new ATOM 0 HE ARG A 33 83.594 3.678 -18.671 1.00 1.00 H new ATOM 0 HH11 ARG A 33 85.716 1.901 -20.808 1.00 1.00 H new ATOM 0 HH12 ARG A 33 84.755 2.243 -22.250 1.00 1.00 H new ATOM 0 HH21 ARG A 33 82.365 4.116 -20.517 1.00 1.00 H new ATOM 0 HH22 ARG A 33 82.875 3.486 -22.087 1.00 1.00 H new ATOM 508 N GLN A 34 85.353 6.471 -14.334 1.00 1.00 N ATOM 509 CA GLN A 34 86.021 7.803 -14.362 1.00 1.00 C ATOM 510 C GLN A 34 86.007 8.415 -12.958 1.00 1.00 C ATOM 511 O GLN A 34 86.119 9.613 -12.795 1.00 1.00 O ATOM 512 CB GLN A 34 85.270 8.725 -15.330 1.00 1.00 C ATOM 513 CG GLN A 34 86.205 9.838 -15.808 1.00 1.00 C ATOM 514 CD GLN A 34 87.086 9.312 -16.943 1.00 1.00 C ATOM 515 OE1 GLN A 34 87.428 8.147 -16.973 1.00 1.00 O ATOM 516 NE2 GLN A 34 87.469 10.129 -17.887 1.00 1.00 N ATOM 0 H GLN A 34 84.857 6.250 -13.471 1.00 1.00 H new ATOM 0 HA GLN A 34 87.053 7.686 -14.693 1.00 1.00 H new ATOM 0 HB2 GLN A 34 84.903 8.153 -16.182 1.00 1.00 H new ATOM 0 HB3 GLN A 34 84.399 9.155 -14.836 1.00 1.00 H new ATOM 0 HG2 GLN A 34 85.623 10.694 -16.151 1.00 1.00 H new ATOM 0 HG3 GLN A 34 86.826 10.185 -14.982 1.00 1.00 H new ATOM 0 HE21 GLN A 34 87.182 11.107 -17.862 1.00 1.00 H new ATOM 0 HE22 GLN A 34 88.055 9.789 -18.649 1.00 1.00 H new ATOM 525 N THR A 35 85.870 7.603 -11.943 1.00 1.00 N ATOM 526 CA THR A 35 85.848 8.146 -10.554 1.00 1.00 C ATOM 527 C THR A 35 86.494 7.139 -9.597 1.00 1.00 C ATOM 528 O THR A 35 87.651 7.258 -9.246 1.00 1.00 O ATOM 529 CB THR A 35 84.398 8.404 -10.128 1.00 1.00 C ATOM 530 OG1 THR A 35 83.784 7.173 -9.775 1.00 1.00 O ATOM 531 CG2 THR A 35 83.630 9.046 -11.285 1.00 1.00 C ATOM 0 H THR A 35 85.773 6.590 -12.016 1.00 1.00 H new ATOM 0 HA THR A 35 86.407 9.081 -10.522 1.00 1.00 H new ATOM 0 HB THR A 35 84.386 9.076 -9.270 1.00 1.00 H new ATOM 0 HG1 THR A 35 83.664 6.625 -10.579 1.00 1.00 H new ATOM 0 HG21 THR A 35 82.599 9.229 -10.981 1.00 1.00 H new ATOM 0 HG22 THR A 35 84.102 9.991 -11.555 1.00 1.00 H new ATOM 0 HG23 THR A 35 83.641 8.376 -12.145 1.00 1.00 H new ATOM 539 N ARG A 36 85.759 6.147 -9.173 1.00 1.00 N ATOM 540 CA ARG A 36 86.330 5.134 -8.242 1.00 1.00 C ATOM 541 C ARG A 36 86.662 5.794 -6.899 1.00 1.00 C ATOM 542 O ARG A 36 87.614 5.427 -6.241 1.00 1.00 O ATOM 543 CB ARG A 36 87.605 4.541 -8.856 1.00 1.00 C ATOM 544 CG ARG A 36 87.805 3.114 -8.342 1.00 1.00 C ATOM 545 CD ARG A 36 86.869 2.165 -9.093 1.00 1.00 C ATOM 546 NE ARG A 36 87.657 1.353 -10.062 1.00 1.00 N ATOM 547 CZ ARG A 36 88.249 0.259 -9.668 1.00 1.00 C ATOM 548 NH1 ARG A 36 88.149 -0.125 -8.425 1.00 1.00 N ATOM 549 NH2 ARG A 36 88.939 -0.452 -10.517 1.00 1.00 N ATOM 0 H ARG A 36 84.784 5.995 -9.433 1.00 1.00 H new ATOM 0 HA ARG A 36 85.602 4.340 -8.079 1.00 1.00 H new ATOM 0 HB2 ARG A 36 87.531 4.540 -9.943 1.00 1.00 H new ATOM 0 HB3 ARG A 36 88.466 5.156 -8.596 1.00 1.00 H new ATOM 0 HG2 ARG A 36 88.841 2.807 -8.483 1.00 1.00 H new ATOM 0 HG3 ARG A 36 87.603 3.070 -7.272 1.00 1.00 H new ATOM 0 HD2 ARG A 36 86.355 1.511 -8.388 1.00 1.00 H new ATOM 0 HD3 ARG A 36 86.102 2.734 -9.618 1.00 1.00 H new ATOM 0 HE ARG A 36 87.734 1.652 -11.034 1.00 1.00 H new ATOM 0 HH11 ARG A 36 87.608 0.430 -7.762 1.00 1.00 H new ATOM 0 HH12 ARG A 36 88.612 -0.980 -8.117 1.00 1.00 H new ATOM 0 HH21 ARG A 36 89.016 -0.153 -11.489 1.00 1.00 H new ATOM 0 HH22 ARG A 36 89.402 -1.307 -10.209 1.00 1.00 H new ATOM 563 N GLN A 37 85.886 6.764 -6.486 1.00 1.00 N ATOM 564 CA GLN A 37 86.165 7.442 -5.184 1.00 1.00 C ATOM 565 C GLN A 37 84.959 8.306 -4.784 1.00 1.00 C ATOM 566 O GLN A 37 84.167 7.932 -3.941 1.00 1.00 O ATOM 567 CB GLN A 37 87.409 8.338 -5.330 1.00 1.00 C ATOM 568 CG GLN A 37 88.661 7.562 -4.917 1.00 1.00 C ATOM 569 CD GLN A 37 89.568 7.371 -6.134 1.00 1.00 C ATOM 570 OE1 GLN A 37 89.033 7.182 -7.308 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 90.777 7.393 -6.014 1.00 1.00 N flip ATOM 0 H GLN A 37 85.073 7.115 -6.993 1.00 1.00 H new ATOM 0 HA GLN A 37 86.343 6.690 -4.415 1.00 1.00 H new ATOM 0 HB2 GLN A 37 87.505 8.677 -6.361 1.00 1.00 H new ATOM 0 HB3 GLN A 37 87.301 9.228 -4.710 1.00 1.00 H new ATOM 0 HG2 GLN A 37 89.194 8.101 -4.134 1.00 1.00 H new ATOM 0 HG3 GLN A 37 88.381 6.593 -4.503 1.00 1.00 H new ATOM 0 HE21 GLN A 37 91.196 7.541 -5.096 1.00 1.00 H new ATOM 0 HE22 GLN A 37 91.373 7.264 -6.832 1.00 1.00 H new ATOM 580 N CYS A 38 84.825 9.461 -5.379 1.00 1.00 N ATOM 581 CA CYS A 38 83.685 10.365 -5.042 1.00 1.00 C ATOM 582 C CYS A 38 83.931 11.011 -3.674 1.00 1.00 C ATOM 583 O CYS A 38 84.981 10.849 -3.084 1.00 1.00 O ATOM 584 CB CYS A 38 82.374 9.562 -5.025 1.00 1.00 C ATOM 585 SG CYS A 38 81.789 9.387 -3.321 1.00 1.00 S ATOM 0 H CYS A 38 85.462 9.821 -6.090 1.00 1.00 H new ATOM 0 HA CYS A 38 83.606 11.149 -5.795 1.00 1.00 H new ATOM 0 HB2 CYS A 38 81.619 10.066 -5.629 1.00 1.00 H new ATOM 0 HB3 CYS A 38 82.532 8.579 -5.468 1.00 1.00 H new ATOM 590 N LYS A 39 82.973 11.758 -3.180 1.00 1.00 N ATOM 591 CA LYS A 39 83.127 12.445 -1.858 1.00 1.00 C ATOM 592 C LYS A 39 84.137 11.706 -0.976 1.00 1.00 C ATOM 593 O LYS A 39 84.161 10.492 -0.913 1.00 1.00 O ATOM 594 CB LYS A 39 81.764 12.498 -1.152 1.00 1.00 C ATOM 595 CG LYS A 39 81.668 13.779 -0.321 1.00 1.00 C ATOM 596 CD LYS A 39 81.284 14.949 -1.228 1.00 1.00 C ATOM 597 CE LYS A 39 81.768 16.260 -0.605 1.00 1.00 C ATOM 598 NZ LYS A 39 80.947 16.569 0.600 1.00 1.00 N ATOM 0 H LYS A 39 82.079 11.923 -3.643 1.00 1.00 H new ATOM 0 HA LYS A 39 83.496 13.456 -2.029 1.00 1.00 H new ATOM 0 HB2 LYS A 39 80.960 12.468 -1.888 1.00 1.00 H new ATOM 0 HB3 LYS A 39 81.641 11.626 -0.510 1.00 1.00 H new ATOM 0 HG2 LYS A 39 80.926 13.658 0.468 1.00 1.00 H new ATOM 0 HG3 LYS A 39 82.622 13.981 0.167 1.00 1.00 H new ATOM 0 HD2 LYS A 39 81.727 14.818 -2.215 1.00 1.00 H new ATOM 0 HD3 LYS A 39 80.203 14.977 -1.365 1.00 1.00 H new ATOM 0 HE2 LYS A 39 82.820 16.178 -0.331 1.00 1.00 H new ATOM 0 HE3 LYS A 39 81.689 17.070 -1.330 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 81.230 17.493 0.985 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 79.941 16.596 0.337 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 81.097 15.834 1.320 1.00 1.00 H new ATOM 612 N SER A 40 84.977 12.440 -0.300 1.00 1.00 N ATOM 613 CA SER A 40 86.002 11.805 0.577 1.00 1.00 C ATOM 614 C SER A 40 85.406 11.524 1.960 1.00 1.00 C ATOM 615 O SER A 40 84.638 12.304 2.486 1.00 1.00 O ATOM 616 CB SER A 40 87.198 12.754 0.719 1.00 1.00 C ATOM 617 OG SER A 40 87.253 13.609 -0.414 1.00 1.00 O ATOM 0 H SER A 40 84.998 13.460 -0.317 1.00 1.00 H new ATOM 0 HA SER A 40 86.326 10.864 0.132 1.00 1.00 H new ATOM 0 HB2 SER A 40 87.103 13.344 1.631 1.00 1.00 H new ATOM 0 HB3 SER A 40 88.123 12.183 0.804 1.00 1.00 H new ATOM 0 HG SER A 40 88.015 14.219 -0.327 1.00 1.00 H new ATOM 623 N LYS A 41 85.766 10.415 2.553 1.00 1.00 N ATOM 624 CA LYS A 41 85.239 10.068 3.908 1.00 1.00 C ATOM 625 C LYS A 41 86.432 9.845 4.850 1.00 1.00 C ATOM 626 O LYS A 41 87.571 9.970 4.446 1.00 1.00 O ATOM 627 CB LYS A 41 84.390 8.785 3.826 1.00 1.00 C ATOM 628 CG LYS A 41 83.869 8.607 2.399 1.00 1.00 C ATOM 629 CD LYS A 41 82.797 9.660 2.111 1.00 1.00 C ATOM 630 CE LYS A 41 81.452 9.186 2.664 1.00 1.00 C ATOM 631 NZ LYS A 41 80.365 10.064 2.147 1.00 1.00 N ATOM 0 H LYS A 41 86.407 9.730 2.154 1.00 1.00 H new ATOM 0 HA LYS A 41 84.612 10.877 4.284 1.00 1.00 H new ATOM 0 HB2 LYS A 41 84.988 7.921 4.116 1.00 1.00 H new ATOM 0 HB3 LYS A 41 83.555 8.844 4.524 1.00 1.00 H new ATOM 0 HG2 LYS A 41 84.689 8.703 1.687 1.00 1.00 H new ATOM 0 HG3 LYS A 41 83.454 7.607 2.274 1.00 1.00 H new ATOM 0 HD2 LYS A 41 83.075 10.610 2.567 1.00 1.00 H new ATOM 0 HD3 LYS A 41 82.720 9.832 1.037 1.00 1.00 H new ATOM 0 HE2 LYS A 41 81.270 8.152 2.370 1.00 1.00 H new ATOM 0 HE3 LYS A 41 81.466 9.210 3.754 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 80.035 10.692 2.907 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 80.727 10.636 1.358 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 79.573 9.477 1.815 1.00 1.00 H new ATOM 645 N PRO A 42 86.180 9.514 6.092 1.00 1.00 N ATOM 646 CA PRO A 42 87.257 9.270 7.086 1.00 1.00 C ATOM 647 C PRO A 42 87.837 7.855 6.964 1.00 1.00 C ATOM 648 O PRO A 42 87.268 6.996 6.321 1.00 1.00 O ATOM 649 CB PRO A 42 86.569 9.464 8.447 1.00 1.00 C ATOM 650 CG PRO A 42 85.092 9.516 8.191 1.00 1.00 C ATOM 651 CD PRO A 42 84.852 9.339 6.688 1.00 1.00 C ATOM 0 HA PRO A 42 88.102 9.943 6.940 1.00 1.00 H new ATOM 0 HB2 PRO A 42 86.814 8.645 9.123 1.00 1.00 H new ATOM 0 HB3 PRO A 42 86.910 10.383 8.923 1.00 1.00 H new ATOM 0 HG2 PRO A 42 84.583 8.731 8.751 1.00 1.00 H new ATOM 0 HG3 PRO A 42 84.682 10.467 8.531 1.00 1.00 H new ATOM 0 HD2 PRO A 42 84.440 8.355 6.463 1.00 1.00 H new ATOM 0 HD3 PRO A 42 84.144 10.075 6.308 1.00 1.00 H new ATOM 659 N PRO A 43 88.967 7.622 7.579 1.00 1.00 N ATOM 660 CA PRO A 43 89.646 6.292 7.542 1.00 1.00 C ATOM 661 C PRO A 43 88.858 5.217 8.299 1.00 1.00 C ATOM 662 O PRO A 43 88.444 5.412 9.424 1.00 1.00 O ATOM 663 CB PRO A 43 90.999 6.550 8.218 1.00 1.00 C ATOM 664 CG PRO A 43 90.790 7.755 9.074 1.00 1.00 C ATOM 665 CD PRO A 43 89.720 8.600 8.380 1.00 1.00 C ATOM 0 HA PRO A 43 89.738 5.913 6.524 1.00 1.00 H new ATOM 0 HB2 PRO A 43 91.310 5.693 8.815 1.00 1.00 H new ATOM 0 HB3 PRO A 43 91.781 6.724 7.479 1.00 1.00 H new ATOM 0 HG2 PRO A 43 90.469 7.469 10.075 1.00 1.00 H new ATOM 0 HG3 PRO A 43 91.717 8.318 9.185 1.00 1.00 H new ATOM 0 HD2 PRO A 43 89.078 9.105 9.102 1.00 1.00 H new ATOM 0 HD3 PRO A 43 90.165 9.373 7.753 1.00 1.00 H new ATOM 673 N LYS A 44 88.650 4.083 7.686 1.00 1.00 N ATOM 674 CA LYS A 44 87.890 2.992 8.362 1.00 1.00 C ATOM 675 C LYS A 44 88.383 1.638 7.845 1.00 1.00 C ATOM 676 O LYS A 44 89.412 1.545 7.207 1.00 1.00 O ATOM 677 CB LYS A 44 86.399 3.143 8.055 1.00 1.00 C ATOM 678 CG LYS A 44 85.867 4.415 8.718 1.00 1.00 C ATOM 679 CD LYS A 44 84.337 4.403 8.693 1.00 1.00 C ATOM 680 CE LYS A 44 83.812 3.675 9.932 1.00 1.00 C ATOM 681 NZ LYS A 44 84.305 4.362 11.159 1.00 1.00 N ATOM 0 H LYS A 44 88.974 3.865 6.744 1.00 1.00 H new ATOM 0 HA LYS A 44 88.045 3.051 9.439 1.00 1.00 H new ATOM 0 HB2 LYS A 44 86.242 3.189 6.977 1.00 1.00 H new ATOM 0 HB3 LYS A 44 85.852 2.274 8.420 1.00 1.00 H new ATOM 0 HG2 LYS A 44 86.224 4.478 9.746 1.00 1.00 H new ATOM 0 HG3 LYS A 44 86.243 5.295 8.195 1.00 1.00 H new ATOM 0 HD2 LYS A 44 83.955 5.424 8.669 1.00 1.00 H new ATOM 0 HD3 LYS A 44 83.981 3.908 7.789 1.00 1.00 H new ATOM 0 HE2 LYS A 44 82.722 3.660 9.924 1.00 1.00 H new ATOM 0 HE3 LYS A 44 84.145 2.637 9.925 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 83.570 4.329 11.894 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 85.162 3.884 11.504 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 84.527 5.353 10.936 1.00 1.00 H new ATOM 695 N LYS A 45 87.658 0.587 8.115 1.00 1.00 N ATOM 696 CA LYS A 45 88.091 -0.756 7.635 1.00 1.00 C ATOM 697 C LYS A 45 88.037 -0.793 6.106 1.00 1.00 C ATOM 698 O LYS A 45 88.818 -1.467 5.465 1.00 1.00 O ATOM 699 CB LYS A 45 87.164 -1.831 8.209 1.00 1.00 C ATOM 700 CG LYS A 45 87.000 -1.619 9.715 1.00 1.00 C ATOM 701 CD LYS A 45 86.997 -2.974 10.425 1.00 1.00 C ATOM 702 CE LYS A 45 85.780 -3.784 9.976 1.00 1.00 C ATOM 703 NZ LYS A 45 85.599 -4.953 10.881 1.00 1.00 N ATOM 0 H LYS A 45 86.787 0.600 8.646 1.00 1.00 H new ATOM 0 HA LYS A 45 89.112 -0.948 7.966 1.00 1.00 H new ATOM 0 HB2 LYS A 45 86.192 -1.787 7.718 1.00 1.00 H new ATOM 0 HB3 LYS A 45 87.575 -2.821 8.014 1.00 1.00 H new ATOM 0 HG2 LYS A 45 87.811 -0.999 10.096 1.00 1.00 H new ATOM 0 HG3 LYS A 45 86.070 -1.088 9.919 1.00 1.00 H new ATOM 0 HD2 LYS A 45 87.913 -3.518 10.196 1.00 1.00 H new ATOM 0 HD3 LYS A 45 86.973 -2.830 11.505 1.00 1.00 H new ATOM 0 HE2 LYS A 45 84.888 -3.158 9.991 1.00 1.00 H new ATOM 0 HE3 LYS A 45 85.915 -4.123 8.949 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 84.771 -5.504 10.575 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 86.447 -5.554 10.846 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 85.452 -4.619 11.855 1.00 1.00 H new ATOM 717 N GLY A 46 87.121 -0.074 5.517 1.00 1.00 N ATOM 718 CA GLY A 46 87.021 -0.068 4.030 1.00 1.00 C ATOM 719 C GLY A 46 88.260 0.606 3.439 1.00 1.00 C ATOM 720 O GLY A 46 88.949 1.353 4.105 1.00 1.00 O ATOM 0 H GLY A 46 86.438 0.509 6.001 1.00 1.00 H new ATOM 0 HA2 GLY A 46 86.936 -1.088 3.656 1.00 1.00 H new ATOM 0 HA3 GLY A 46 86.121 0.462 3.717 1.00 1.00 H new ATOM 724 N VAL A 47 88.551 0.350 2.192 1.00 1.00 N ATOM 725 CA VAL A 47 89.747 0.977 1.562 1.00 1.00 C ATOM 726 C VAL A 47 89.741 2.482 1.843 1.00 1.00 C ATOM 727 O VAL A 47 88.707 3.077 2.070 1.00 1.00 O ATOM 728 CB VAL A 47 89.713 0.737 0.052 1.00 1.00 C ATOM 729 CG1 VAL A 47 90.898 1.447 -0.605 1.00 1.00 C ATOM 730 CG2 VAL A 47 89.801 -0.765 -0.226 1.00 1.00 C ATOM 0 H VAL A 47 88.012 -0.266 1.583 1.00 1.00 H new ATOM 0 HA VAL A 47 90.652 0.534 1.978 1.00 1.00 H new ATOM 0 HB VAL A 47 88.782 1.130 -0.358 1.00 1.00 H new ATOM 0 HG11 VAL A 47 90.874 1.276 -1.681 1.00 1.00 H new ATOM 0 HG12 VAL A 47 90.837 2.517 -0.406 1.00 1.00 H new ATOM 0 HG13 VAL A 47 91.829 1.055 -0.196 1.00 1.00 H new ATOM 0 HG21 VAL A 47 89.777 -0.938 -1.302 1.00 1.00 H new ATOM 0 HG22 VAL A 47 90.732 -1.157 0.184 1.00 1.00 H new ATOM 0 HG23 VAL A 47 88.957 -1.272 0.242 1.00 1.00 H new ATOM 740 N GLN A 48 90.891 3.101 1.833 1.00 1.00 N ATOM 741 CA GLN A 48 90.954 4.566 2.103 1.00 1.00 C ATOM 742 C GLN A 48 90.719 5.342 0.805 1.00 1.00 C ATOM 743 O GLN A 48 91.169 6.460 0.649 1.00 1.00 O ATOM 744 CB GLN A 48 92.334 4.920 2.663 1.00 1.00 C ATOM 745 CG GLN A 48 92.501 4.291 4.048 1.00 1.00 C ATOM 746 CD GLN A 48 93.748 4.866 4.723 1.00 1.00 C ATOM 747 OE1 GLN A 48 94.730 5.307 3.985 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 93.828 4.916 5.934 1.00 1.00 N flip ATOM 0 H GLN A 48 91.790 2.655 1.649 1.00 1.00 H new ATOM 0 HA GLN A 48 90.184 4.833 2.827 1.00 1.00 H new ATOM 0 HB2 GLN A 48 93.114 4.559 1.992 1.00 1.00 H new ATOM 0 HB3 GLN A 48 92.445 6.002 2.728 1.00 1.00 H new ATOM 0 HG2 GLN A 48 91.620 4.490 4.658 1.00 1.00 H new ATOM 0 HG3 GLN A 48 92.589 3.208 3.959 1.00 1.00 H new ATOM 0 HE21 GLN A 48 93.060 4.571 6.510 1.00 1.00 H new ATOM 0 HE22 GLN A 48 94.663 5.303 6.374 1.00 1.00 H new ATOM 757 N GLY A 49 90.018 4.760 -0.130 1.00 1.00 N ATOM 758 CA GLY A 49 89.759 5.469 -1.416 1.00 1.00 C ATOM 759 C GLY A 49 88.899 6.707 -1.156 1.00 1.00 C ATOM 760 O GLY A 49 89.075 7.402 -0.176 1.00 1.00 O ATOM 0 H GLY A 49 89.614 3.826 -0.059 1.00 1.00 H new ATOM 0 HA2 GLY A 49 90.702 5.760 -1.879 1.00 1.00 H new ATOM 0 HA3 GLY A 49 89.253 4.803 -2.115 1.00 1.00 H new ATOM 764 N CYS A 50 87.967 6.985 -2.028 1.00 1.00 N ATOM 765 CA CYS A 50 87.092 8.176 -1.834 1.00 1.00 C ATOM 766 C CYS A 50 87.952 9.444 -1.822 1.00 1.00 C ATOM 767 O CYS A 50 88.884 9.564 -1.053 1.00 1.00 O ATOM 768 CB CYS A 50 86.343 8.048 -0.503 1.00 1.00 C ATOM 769 SG CYS A 50 86.229 6.301 -0.042 1.00 1.00 S ATOM 0 H CYS A 50 87.774 6.438 -2.867 1.00 1.00 H new ATOM 0 HA CYS A 50 86.371 8.236 -2.649 1.00 1.00 H new ATOM 0 HB2 CYS A 50 86.863 8.607 0.275 1.00 1.00 H new ATOM 0 HB3 CYS A 50 85.345 8.478 -0.592 1.00 1.00 H new ATOM 774 N GLY A 51 87.651 10.391 -2.670 1.00 1.00 N ATOM 775 CA GLY A 51 88.461 11.643 -2.698 1.00 1.00 C ATOM 776 C GLY A 51 87.960 12.572 -3.808 1.00 1.00 C ATOM 777 O GLY A 51 88.105 13.776 -3.732 1.00 1.00 O ATOM 0 H GLY A 51 86.884 10.352 -3.341 1.00 1.00 H new ATOM 0 HA2 GLY A 51 88.397 12.148 -1.734 1.00 1.00 H new ATOM 0 HA3 GLY A 51 89.511 11.402 -2.862 1.00 1.00 H new ATOM 781 N ASP A 52 87.379 12.027 -4.842 1.00 1.00 N ATOM 782 CA ASP A 52 86.881 12.888 -5.954 1.00 1.00 C ATOM 783 C ASP A 52 85.674 13.703 -5.482 1.00 1.00 C ATOM 784 O ASP A 52 85.581 14.083 -4.332 1.00 1.00 O ATOM 785 CB ASP A 52 86.472 12.006 -7.135 1.00 1.00 C ATOM 786 CG ASP A 52 87.665 11.153 -7.571 1.00 1.00 C ATOM 787 OD1 ASP A 52 88.541 10.932 -6.752 1.00 1.00 O ATOM 788 OD2 ASP A 52 87.681 10.734 -8.717 1.00 1.00 O ATOM 0 H ASP A 52 87.228 11.026 -4.965 1.00 1.00 H new ATOM 0 HA ASP A 52 87.673 13.570 -6.263 1.00 1.00 H new ATOM 0 HB2 ASP A 52 85.637 11.365 -6.852 1.00 1.00 H new ATOM 0 HB3 ASP A 52 86.132 12.625 -7.965 1.00 1.00 H new ATOM 793 N ASP A 53 84.749 13.977 -6.368 1.00 1.00 N ATOM 794 CA ASP A 53 83.543 14.772 -5.983 1.00 1.00 C ATOM 795 C ASP A 53 82.281 14.023 -6.418 1.00 1.00 C ATOM 796 O ASP A 53 82.081 12.876 -6.070 1.00 1.00 O ATOM 797 CB ASP A 53 83.592 16.136 -6.676 1.00 1.00 C ATOM 798 CG ASP A 53 83.608 15.939 -8.193 1.00 1.00 C ATOM 799 OD1 ASP A 53 84.083 14.905 -8.632 1.00 1.00 O ATOM 800 OD2 ASP A 53 83.145 16.827 -8.891 1.00 1.00 O ATOM 0 H ASP A 53 84.778 13.683 -7.344 1.00 1.00 H new ATOM 0 HA ASP A 53 83.527 14.913 -4.902 1.00 1.00 H new ATOM 0 HB2 ASP A 53 82.728 16.734 -6.386 1.00 1.00 H new ATOM 0 HB3 ASP A 53 84.480 16.684 -6.361 1.00 1.00 H new ATOM 805 N ILE A 54 81.425 14.659 -7.177 1.00 1.00 N ATOM 806 CA ILE A 54 80.175 13.977 -7.631 1.00 1.00 C ATOM 807 C ILE A 54 79.915 14.299 -9.104 1.00 1.00 C ATOM 808 O ILE A 54 79.086 15.126 -9.427 1.00 1.00 O ATOM 809 CB ILE A 54 78.984 14.466 -6.798 1.00 1.00 C ATOM 810 CG1 ILE A 54 79.351 14.425 -5.313 1.00 1.00 C ATOM 811 CG2 ILE A 54 77.778 13.559 -7.049 1.00 1.00 C ATOM 812 CD1 ILE A 54 79.895 15.789 -4.883 1.00 1.00 C ATOM 0 H ILE A 54 81.537 15.619 -7.502 1.00 1.00 H new ATOM 0 HA ILE A 54 80.295 12.901 -7.505 1.00 1.00 H new ATOM 0 HB ILE A 54 78.736 15.488 -7.085 1.00 1.00 H new ATOM 0 HG12 ILE A 54 78.475 14.167 -4.718 1.00 1.00 H new ATOM 0 HG13 ILE A 54 80.097 13.651 -5.133 1.00 1.00 H new ATOM 0 HG21 ILE A 54 76.932 13.907 -6.457 1.00 1.00 H new ATOM 0 HG22 ILE A 54 77.516 13.586 -8.107 1.00 1.00 H new ATOM 0 HG23 ILE A 54 78.026 12.537 -6.763 1.00 1.00 H new ATOM 0 HD11 ILE A 54 80.156 15.759 -3.825 1.00 1.00 H new ATOM 0 HD12 ILE A 54 80.782 16.028 -5.469 1.00 1.00 H new ATOM 0 HD13 ILE A 54 79.135 16.552 -5.048 1.00 1.00 H new ATOM 824 N PRO A 55 80.608 13.637 -9.991 1.00 1.00 N ATOM 825 CA PRO A 55 80.446 13.833 -11.452 1.00 1.00 C ATOM 826 C PRO A 55 79.359 12.921 -12.032 1.00 1.00 C ATOM 827 O PRO A 55 78.578 13.325 -12.871 1.00 1.00 O ATOM 828 CB PRO A 55 81.819 13.450 -11.997 1.00 1.00 C ATOM 829 CG PRO A 55 82.333 12.407 -11.055 1.00 1.00 C ATOM 830 CD PRO A 55 81.638 12.626 -9.705 1.00 1.00 C ATOM 0 HA PRO A 55 80.136 14.845 -11.710 1.00 1.00 H new ATOM 0 HB2 PRO A 55 81.746 13.062 -13.013 1.00 1.00 H new ATOM 0 HB3 PRO A 55 82.484 14.313 -12.032 1.00 1.00 H new ATOM 0 HG2 PRO A 55 82.123 11.408 -11.437 1.00 1.00 H new ATOM 0 HG3 PRO A 55 83.415 12.487 -10.947 1.00 1.00 H new ATOM 0 HD2 PRO A 55 81.197 11.703 -9.329 1.00 1.00 H new ATOM 0 HD3 PRO A 55 82.340 12.975 -8.947 1.00 1.00 H new ATOM 838 N GLY A 56 79.305 11.694 -11.582 1.00 1.00 N ATOM 839 CA GLY A 56 78.271 10.744 -12.092 1.00 1.00 C ATOM 840 C GLY A 56 77.616 10.030 -10.907 1.00 1.00 C ATOM 841 O GLY A 56 76.808 9.140 -11.076 1.00 1.00 O ATOM 0 H GLY A 56 79.936 11.307 -10.880 1.00 1.00 H new ATOM 0 HA2 GLY A 56 77.519 11.282 -12.669 1.00 1.00 H new ATOM 0 HA3 GLY A 56 78.728 10.017 -12.763 1.00 1.00 H new ATOM 845 N MET A 57 77.960 10.426 -9.709 1.00 1.00 N ATOM 846 CA MET A 57 77.364 9.796 -8.492 1.00 1.00 C ATOM 847 C MET A 57 77.820 8.339 -8.370 1.00 1.00 C ATOM 848 O MET A 57 77.142 7.519 -7.783 1.00 1.00 O ATOM 849 CB MET A 57 75.832 9.843 -8.575 1.00 1.00 C ATOM 850 CG MET A 57 75.379 11.246 -8.982 1.00 1.00 C ATOM 851 SD MET A 57 74.825 12.151 -7.516 1.00 1.00 S ATOM 852 CE MET A 57 73.086 11.655 -7.587 1.00 1.00 C ATOM 0 H MET A 57 78.635 11.167 -9.520 1.00 1.00 H new ATOM 0 HA MET A 57 77.699 10.351 -7.616 1.00 1.00 H new ATOM 0 HB2 MET A 57 75.475 9.111 -9.300 1.00 1.00 H new ATOM 0 HB3 MET A 57 75.398 9.576 -7.612 1.00 1.00 H new ATOM 0 HG2 MET A 57 76.199 11.779 -9.463 1.00 1.00 H new ATOM 0 HG3 MET A 57 74.570 11.182 -9.710 1.00 1.00 H new ATOM 0 HE1 MET A 57 72.544 12.109 -6.757 1.00 1.00 H new ATOM 0 HE2 MET A 57 72.651 11.987 -8.530 1.00 1.00 H new ATOM 0 HE3 MET A 57 73.014 10.570 -7.517 1.00 1.00 H new ATOM 862 N GLU A 58 78.966 8.009 -8.908 1.00 1.00 N ATOM 863 CA GLU A 58 79.463 6.602 -8.810 1.00 1.00 C ATOM 864 C GLU A 58 80.626 6.543 -7.815 1.00 1.00 C ATOM 865 O GLU A 58 80.529 7.023 -6.703 1.00 1.00 O ATOM 866 CB GLU A 58 79.943 6.130 -10.186 1.00 1.00 C ATOM 867 CG GLU A 58 80.958 7.128 -10.747 1.00 1.00 C ATOM 868 CD GLU A 58 80.225 8.218 -11.530 1.00 1.00 C ATOM 869 OE1 GLU A 58 79.686 7.905 -12.579 1.00 1.00 O ATOM 870 OE2 GLU A 58 80.214 9.347 -11.068 1.00 1.00 O ATOM 0 H GLU A 58 79.579 8.651 -9.410 1.00 1.00 H new ATOM 0 HA GLU A 58 78.656 5.954 -8.468 1.00 1.00 H new ATOM 0 HB2 GLU A 58 80.396 5.142 -10.105 1.00 1.00 H new ATOM 0 HB3 GLU A 58 79.096 6.037 -10.865 1.00 1.00 H new ATOM 0 HG2 GLU A 58 81.533 7.573 -9.935 1.00 1.00 H new ATOM 0 HG3 GLU A 58 81.668 6.615 -11.396 1.00 1.00 H new ATOM 877 N GLY A 59 81.727 5.964 -8.210 1.00 1.00 N ATOM 878 CA GLY A 59 82.900 5.882 -7.294 1.00 1.00 C ATOM 879 C GLY A 59 82.717 4.722 -6.313 1.00 1.00 C ATOM 880 O GLY A 59 81.714 4.621 -5.636 1.00 1.00 O ATOM 0 H GLY A 59 81.865 5.544 -9.129 1.00 1.00 H new ATOM 0 HA2 GLY A 59 83.814 5.740 -7.871 1.00 1.00 H new ATOM 0 HA3 GLY A 59 83.011 6.818 -6.747 1.00 1.00 H new ATOM 884 N CYS A 60 83.686 3.849 -6.230 1.00 1.00 N ATOM 885 CA CYS A 60 83.579 2.696 -5.292 1.00 1.00 C ATOM 886 C CYS A 60 84.900 1.924 -5.284 1.00 1.00 C ATOM 887 O CYS A 60 85.906 2.394 -5.777 1.00 1.00 O ATOM 888 CB CYS A 60 82.450 1.769 -5.748 1.00 1.00 C ATOM 889 SG CYS A 60 82.811 1.148 -7.409 1.00 1.00 S ATOM 0 H CYS A 60 84.549 3.886 -6.773 1.00 1.00 H new ATOM 0 HA CYS A 60 83.364 3.062 -4.288 1.00 1.00 H new ATOM 0 HB2 CYS A 60 82.345 0.937 -5.052 1.00 1.00 H new ATOM 0 HB3 CYS A 60 81.502 2.306 -5.747 1.00 1.00 H new ATOM 894 N GLY A 61 84.909 0.743 -4.729 1.00 1.00 N ATOM 895 CA GLY A 61 86.169 -0.053 -4.694 1.00 1.00 C ATOM 896 C GLY A 61 85.867 -1.468 -4.200 1.00 1.00 C ATOM 897 O GLY A 61 85.740 -2.393 -4.977 1.00 1.00 O ATOM 0 H GLY A 61 84.100 0.295 -4.299 1.00 1.00 H new ATOM 0 HA2 GLY A 61 86.615 -0.091 -5.688 1.00 1.00 H new ATOM 0 HA3 GLY A 61 86.895 0.425 -4.037 1.00 1.00 H new ATOM 901 N THR A 62 85.752 -1.644 -2.913 1.00 1.00 N ATOM 902 CA THR A 62 85.459 -3.000 -2.370 1.00 1.00 C ATOM 903 C THR A 62 84.852 -2.869 -0.971 1.00 1.00 C ATOM 904 O THR A 62 84.542 -3.850 -0.325 1.00 1.00 O ATOM 905 CB THR A 62 86.756 -3.809 -2.291 1.00 1.00 C ATOM 906 OG1 THR A 62 86.597 -4.865 -1.354 1.00 1.00 O ATOM 907 CG2 THR A 62 87.902 -2.898 -1.847 1.00 1.00 C ATOM 0 H THR A 62 85.848 -0.908 -2.214 1.00 1.00 H new ATOM 0 HA THR A 62 84.753 -3.510 -3.026 1.00 1.00 H new ATOM 0 HB THR A 62 86.986 -4.225 -3.272 1.00 1.00 H new ATOM 0 HG1 THR A 62 85.660 -4.913 -1.071 1.00 1.00 H new ATOM 0 HG21 THR A 62 88.825 -3.475 -1.791 1.00 1.00 H new ATOM 0 HG22 THR A 62 88.023 -2.089 -2.567 1.00 1.00 H new ATOM 0 HG23 THR A 62 87.675 -2.480 -0.866 1.00 1.00 H new ATOM 915 N ASP A 63 84.676 -1.665 -0.500 1.00 1.00 N ATOM 916 CA ASP A 63 84.086 -1.473 0.856 1.00 1.00 C ATOM 917 C ASP A 63 82.605 -1.860 0.827 1.00 1.00 C ATOM 918 O ASP A 63 81.797 -1.317 1.553 1.00 1.00 O ATOM 919 CB ASP A 63 84.222 -0.006 1.268 1.00 1.00 C ATOM 920 CG ASP A 63 83.749 0.165 2.713 1.00 1.00 C ATOM 921 OD1 ASP A 63 83.353 -0.824 3.307 1.00 1.00 O ATOM 922 OD2 ASP A 63 83.792 1.283 3.201 1.00 1.00 O ATOM 0 H ASP A 63 84.915 -0.806 -0.995 1.00 1.00 H new ATOM 0 HA ASP A 63 84.612 -2.102 1.574 1.00 1.00 H new ATOM 0 HB2 ASP A 63 85.260 0.314 1.174 1.00 1.00 H new ATOM 0 HB3 ASP A 63 83.632 0.625 0.604 1.00 1.00 H new ATOM 927 N ILE A 64 82.245 -2.796 -0.009 1.00 1.00 N ATOM 928 CA ILE A 64 80.819 -3.225 -0.094 1.00 1.00 C ATOM 929 C ILE A 64 80.768 -4.732 -0.353 1.00 1.00 C ATOM 930 O ILE A 64 80.027 -5.458 0.278 1.00 1.00 O ATOM 931 CB ILE A 64 80.138 -2.483 -1.250 1.00 1.00 C ATOM 932 CG1 ILE A 64 79.817 -1.051 -0.816 1.00 1.00 C ATOM 933 CG2 ILE A 64 78.842 -3.203 -1.627 1.00 1.00 C ATOM 934 CD1 ILE A 64 79.363 -0.239 -2.030 1.00 1.00 C ATOM 0 H ILE A 64 82.880 -3.284 -0.640 1.00 1.00 H new ATOM 0 HA ILE A 64 80.304 -2.995 0.839 1.00 1.00 H new ATOM 0 HB ILE A 64 80.805 -2.462 -2.112 1.00 1.00 H new ATOM 0 HG12 ILE A 64 79.036 -1.057 -0.056 1.00 1.00 H new ATOM 0 HG13 ILE A 64 80.696 -0.591 -0.365 1.00 1.00 H new ATOM 0 HG21 ILE A 64 78.358 -2.675 -2.449 1.00 1.00 H new ATOM 0 HG22 ILE A 64 79.069 -4.224 -1.935 1.00 1.00 H new ATOM 0 HG23 ILE A 64 78.174 -3.224 -0.766 1.00 1.00 H new ATOM 0 HD11 ILE A 64 79.134 0.781 -1.721 1.00 1.00 H new ATOM 0 HD12 ILE A 64 80.159 -0.223 -2.775 1.00 1.00 H new ATOM 0 HD13 ILE A 64 78.472 -0.696 -2.461 1.00 1.00 H new ATOM 946 N THR A 65 81.553 -5.202 -1.281 1.00 1.00 N ATOM 947 CA THR A 65 81.559 -6.657 -1.592 1.00 1.00 C ATOM 948 C THR A 65 82.036 -7.441 -0.370 1.00 1.00 C ATOM 949 O THR A 65 81.596 -8.545 -0.117 1.00 1.00 O ATOM 950 CB THR A 65 82.513 -6.915 -2.759 1.00 1.00 C ATOM 951 OG1 THR A 65 82.031 -6.250 -3.918 1.00 1.00 O ATOM 952 CG2 THR A 65 82.598 -8.418 -3.029 1.00 1.00 C ATOM 0 H THR A 65 82.193 -4.638 -1.840 1.00 1.00 H new ATOM 0 HA THR A 65 80.551 -6.977 -1.857 1.00 1.00 H new ATOM 0 HB THR A 65 83.504 -6.537 -2.509 1.00 1.00 H new ATOM 0 HG1 THR A 65 82.642 -6.413 -4.667 1.00 1.00 H new ATOM 0 HG21 THR A 65 83.278 -8.600 -3.861 1.00 1.00 H new ATOM 0 HG22 THR A 65 82.968 -8.927 -2.139 1.00 1.00 H new ATOM 0 HG23 THR A 65 81.608 -8.799 -3.280 1.00 1.00 H new ATOM 960 N VAL A 66 82.943 -6.885 0.385 1.00 1.00 N ATOM 961 CA VAL A 66 83.458 -7.603 1.585 1.00 1.00 C ATOM 962 C VAL A 66 82.658 -7.194 2.822 1.00 1.00 C ATOM 963 O VAL A 66 82.133 -8.028 3.532 1.00 1.00 O ATOM 964 CB VAL A 66 84.932 -7.250 1.793 1.00 1.00 C ATOM 965 CG1 VAL A 66 85.570 -8.260 2.749 1.00 1.00 C ATOM 966 CG2 VAL A 66 85.660 -7.293 0.448 1.00 1.00 C ATOM 0 H VAL A 66 83.350 -5.964 0.223 1.00 1.00 H new ATOM 0 HA VAL A 66 83.354 -8.677 1.432 1.00 1.00 H new ATOM 0 HB VAL A 66 85.009 -6.249 2.218 1.00 1.00 H new ATOM 0 HG11 VAL A 66 86.620 -8.008 2.897 1.00 1.00 H new ATOM 0 HG12 VAL A 66 85.052 -8.231 3.707 1.00 1.00 H new ATOM 0 HG13 VAL A 66 85.493 -9.261 2.325 1.00 1.00 H new ATOM 0 HG21 VAL A 66 86.710 -7.042 0.595 1.00 1.00 H new ATOM 0 HG22 VAL A 66 85.582 -8.294 0.024 1.00 1.00 H new ATOM 0 HG23 VAL A 66 85.207 -6.574 -0.234 1.00 1.00 H new ATOM 976 N ILE A 67 82.569 -5.918 3.096 1.00 1.00 N ATOM 977 CA ILE A 67 81.807 -5.468 4.300 1.00 1.00 C ATOM 978 C ILE A 67 80.910 -4.280 3.947 1.00 1.00 C ATOM 979 O ILE A 67 81.372 -3.169 3.781 1.00 1.00 O ATOM 980 CB ILE A 67 82.787 -5.050 5.399 1.00 1.00 C ATOM 981 CG1 ILE A 67 83.707 -6.226 5.734 1.00 1.00 C ATOM 982 CG2 ILE A 67 82.008 -4.641 6.650 1.00 1.00 C ATOM 983 CD1 ILE A 67 84.772 -5.773 6.735 1.00 1.00 C ATOM 0 H ILE A 67 82.988 -5.171 2.542 1.00 1.00 H new ATOM 0 HA ILE A 67 81.186 -6.292 4.651 1.00 1.00 H new ATOM 0 HB ILE A 67 83.384 -4.207 5.052 1.00 1.00 H new ATOM 0 HG12 ILE A 67 83.126 -7.048 6.152 1.00 1.00 H new ATOM 0 HG13 ILE A 67 84.181 -6.600 4.827 1.00 1.00 H new ATOM 0 HG21 ILE A 67 82.706 -4.343 7.432 1.00 1.00 H new ATOM 0 HG22 ILE A 67 81.351 -3.804 6.412 1.00 1.00 H new ATOM 0 HG23 ILE A 67 81.411 -5.484 6.998 1.00 1.00 H new ATOM 0 HD11 ILE A 67 85.427 -6.611 6.973 1.00 1.00 H new ATOM 0 HD12 ILE A 67 85.360 -4.965 6.300 1.00 1.00 H new ATOM 0 HD13 ILE A 67 84.288 -5.420 7.646 1.00 1.00 H new ATOM 995 N CYS A 68 79.627 -4.505 3.852 1.00 1.00 N ATOM 996 CA CYS A 68 78.688 -3.391 3.534 1.00 1.00 C ATOM 997 C CYS A 68 77.976 -2.958 4.824 1.00 1.00 C ATOM 998 O CYS A 68 77.440 -3.777 5.543 1.00 1.00 O ATOM 999 CB CYS A 68 77.658 -3.874 2.503 1.00 1.00 C ATOM 1000 SG CYS A 68 75.998 -3.376 3.026 1.00 1.00 S ATOM 0 H CYS A 68 79.187 -5.416 3.982 1.00 1.00 H new ATOM 0 HA CYS A 68 79.236 -2.545 3.120 1.00 1.00 H new ATOM 0 HB2 CYS A 68 77.884 -3.453 1.523 1.00 1.00 H new ATOM 0 HB3 CYS A 68 77.709 -4.958 2.403 1.00 1.00 H new ATOM 1005 N PRO A 69 77.971 -1.680 5.132 1.00 1.00 N ATOM 1006 CA PRO A 69 77.318 -1.154 6.368 1.00 1.00 C ATOM 1007 C PRO A 69 75.961 -1.812 6.659 1.00 1.00 C ATOM 1008 O PRO A 69 75.492 -1.814 7.780 1.00 1.00 O ATOM 1009 CB PRO A 69 77.138 0.335 6.071 1.00 1.00 C ATOM 1010 CG PRO A 69 78.244 0.677 5.126 1.00 1.00 C ATOM 1011 CD PRO A 69 78.580 -0.598 4.342 1.00 1.00 C ATOM 0 HA PRO A 69 77.918 -1.360 7.254 1.00 1.00 H new ATOM 0 HB2 PRO A 69 76.163 0.534 5.626 1.00 1.00 H new ATOM 0 HB3 PRO A 69 77.200 0.930 6.982 1.00 1.00 H new ATOM 0 HG2 PRO A 69 77.939 1.476 4.450 1.00 1.00 H new ATOM 0 HG3 PRO A 69 79.118 1.036 5.670 1.00 1.00 H new ATOM 0 HD2 PRO A 69 78.171 -0.564 3.332 1.00 1.00 H new ATOM 0 HD3 PRO A 69 79.657 -0.734 4.245 1.00 1.00 H new ATOM 1019 N TRP A 70 75.325 -2.364 5.662 1.00 1.00 N ATOM 1020 CA TRP A 70 73.999 -3.011 5.889 1.00 1.00 C ATOM 1021 C TRP A 70 74.141 -4.140 6.913 1.00 1.00 C ATOM 1022 O TRP A 70 73.212 -4.462 7.626 1.00 1.00 O ATOM 1023 CB TRP A 70 73.477 -3.587 4.571 1.00 1.00 C ATOM 1024 CG TRP A 70 72.040 -3.968 4.730 1.00 1.00 C ATOM 1025 CD1 TRP A 70 71.033 -3.106 4.996 1.00 1.00 C ATOM 1026 CD2 TRP A 70 71.434 -5.291 4.639 1.00 1.00 C ATOM 1027 NE1 TRP A 70 69.847 -3.813 5.074 1.00 1.00 N ATOM 1028 CE2 TRP A 70 70.041 -5.163 4.861 1.00 1.00 C ATOM 1029 CE3 TRP A 70 71.950 -6.574 4.388 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 69.192 -6.272 4.834 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 71.100 -7.690 4.360 1.00 1.00 C ATOM 1032 CH2 TRP A 70 69.725 -7.541 4.583 1.00 1.00 C ATOM 0 HA TRP A 70 73.298 -2.266 6.266 1.00 1.00 H new ATOM 0 HB2 TRP A 70 73.584 -2.852 3.773 1.00 1.00 H new ATOM 0 HB3 TRP A 70 74.066 -4.458 4.283 1.00 1.00 H new ATOM 0 HD1 TRP A 70 71.138 -2.039 5.126 1.00 1.00 H new ATOM 0 HE1 TRP A 70 68.939 -3.389 5.266 1.00 1.00 H new ATOM 0 HE3 TRP A 70 73.008 -6.702 4.215 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 68.133 -6.151 5.006 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 71.509 -8.671 4.165 1.00 1.00 H new ATOM 0 HH2 TRP A 70 69.077 -8.405 4.561 1.00 1.00 H new ATOM 1043 N GLU A 71 75.295 -4.746 6.991 1.00 1.00 N ATOM 1044 CA GLU A 71 75.487 -5.854 7.971 1.00 1.00 C ATOM 1045 C GLU A 71 75.899 -5.273 9.324 1.00 1.00 C ATOM 1046 O GLU A 71 75.440 -5.704 10.363 1.00 1.00 O ATOM 1047 CB GLU A 71 76.582 -6.797 7.468 1.00 1.00 C ATOM 1048 CG GLU A 71 76.049 -7.618 6.292 1.00 1.00 C ATOM 1049 CD GLU A 71 75.078 -8.681 6.810 1.00 1.00 C ATOM 1050 OE1 GLU A 71 74.927 -8.780 8.016 1.00 1.00 O ATOM 1051 OE2 GLU A 71 74.503 -9.378 5.990 1.00 1.00 O ATOM 0 H GLU A 71 76.111 -4.523 6.421 1.00 1.00 H new ATOM 0 HA GLU A 71 74.554 -6.406 8.081 1.00 1.00 H new ATOM 0 HB2 GLU A 71 77.456 -6.224 7.159 1.00 1.00 H new ATOM 0 HB3 GLU A 71 76.903 -7.460 8.272 1.00 1.00 H new ATOM 0 HG2 GLU A 71 75.545 -6.966 5.579 1.00 1.00 H new ATOM 0 HG3 GLU A 71 76.875 -8.092 5.762 1.00 1.00 H new ATOM 1058 N ALA A 72 76.766 -4.298 9.320 1.00 1.00 N ATOM 1059 CA ALA A 72 77.212 -3.690 10.605 1.00 1.00 C ATOM 1060 C ALA A 72 76.132 -2.746 11.134 1.00 1.00 C ATOM 1061 O ALA A 72 75.528 -2.988 12.160 1.00 1.00 O ATOM 1062 CB ALA A 72 78.501 -2.901 10.371 1.00 1.00 C ATOM 0 H ALA A 72 77.185 -3.896 8.482 1.00 1.00 H new ATOM 0 HA ALA A 72 77.389 -4.480 11.334 1.00 1.00 H new ATOM 0 HB1 ALA A 72 78.830 -2.455 11.310 1.00 1.00 H new ATOM 0 HB2 ALA A 72 79.275 -3.571 9.997 1.00 1.00 H new ATOM 0 HB3 ALA A 72 78.318 -2.114 9.640 1.00 1.00 H new ATOM 1068 N CYS A 73 75.892 -1.666 10.445 1.00 1.00 N ATOM 1069 CA CYS A 73 74.861 -0.696 10.907 1.00 1.00 C ATOM 1070 C CYS A 73 73.563 -1.442 11.230 1.00 1.00 C ATOM 1071 O CYS A 73 73.220 -1.638 12.378 1.00 1.00 O ATOM 1072 CB CYS A 73 74.605 0.335 9.804 1.00 1.00 C ATOM 1073 SG CYS A 73 74.137 1.916 10.551 1.00 1.00 S ATOM 0 H CYS A 73 76.367 -1.412 9.579 1.00 1.00 H new ATOM 0 HA CYS A 73 75.214 -0.187 11.804 1.00 1.00 H new ATOM 0 HB2 CYS A 73 75.499 0.460 9.194 1.00 1.00 H new ATOM 0 HB3 CYS A 73 73.813 -0.015 9.141 1.00 1.00 H new ATOM 1078 N ASN A 74 72.842 -1.857 10.222 1.00 1.00 N ATOM 1079 CA ASN A 74 71.558 -2.591 10.451 1.00 1.00 C ATOM 1080 C ASN A 74 70.729 -2.553 9.165 1.00 1.00 C ATOM 1081 O ASN A 74 71.197 -2.130 8.126 1.00 1.00 O ATOM 1082 CB ASN A 74 70.764 -1.924 11.590 1.00 1.00 C ATOM 1083 CG ASN A 74 70.955 -2.720 12.882 1.00 1.00 C ATOM 1084 OD1 ASN A 74 71.903 -3.469 13.014 1.00 1.00 O ATOM 1085 ND2 ASN A 74 70.088 -2.590 13.849 1.00 1.00 N ATOM 0 H ASN A 74 73.088 -1.719 9.242 1.00 1.00 H new ATOM 0 HA ASN A 74 71.775 -3.623 10.727 1.00 1.00 H new ATOM 0 HB2 ASN A 74 71.102 -0.897 11.730 1.00 1.00 H new ATOM 0 HB3 ASN A 74 69.706 -1.879 11.332 1.00 1.00 H new ATOM 0 HD21 ASN A 74 70.206 -3.117 14.714 1.00 1.00 H new ATOM 0 HD22 ASN A 74 69.292 -1.962 13.739 1.00 1.00 H new ATOM 1092 N HIS A 75 69.497 -2.984 9.225 1.00 1.00 N ATOM 1093 CA HIS A 75 68.644 -2.961 8.005 1.00 1.00 C ATOM 1094 C HIS A 75 68.724 -1.572 7.369 1.00 1.00 C ATOM 1095 O HIS A 75 69.276 -1.399 6.303 1.00 1.00 O ATOM 1096 CB HIS A 75 67.194 -3.268 8.388 1.00 1.00 C ATOM 1097 CG HIS A 75 66.408 -3.600 7.150 1.00 1.00 C ATOM 1098 ND1 HIS A 75 66.760 -4.645 6.309 1.00 1.00 N ATOM 1099 CD2 HIS A 75 65.284 -3.034 6.596 1.00 1.00 C ATOM 1100 CE1 HIS A 75 65.866 -4.678 5.304 1.00 1.00 C ATOM 1101 NE2 HIS A 75 64.948 -3.719 5.432 1.00 1.00 N ATOM 0 H HIS A 75 69.047 -3.350 10.064 1.00 1.00 H new ATOM 0 HA HIS A 75 68.993 -3.711 7.296 1.00 1.00 H new ATOM 0 HB2 HIS A 75 67.161 -4.103 9.088 1.00 1.00 H new ATOM 0 HB3 HIS A 75 66.751 -2.410 8.894 1.00 1.00 H new ATOM 0 HD1 HIS A 75 67.553 -5.275 6.430 1.00 1.00 H new ATOM 0 HD2 HIS A 75 64.746 -2.190 7.001 1.00 1.00 H new ATOM 0 HE1 HIS A 75 65.889 -5.392 4.494 1.00 1.00 H new ATOM 1110 N CYS A 76 68.188 -0.579 8.024 1.00 1.00 N ATOM 1111 CA CYS A 76 68.242 0.803 7.470 1.00 1.00 C ATOM 1112 C CYS A 76 67.834 1.799 8.559 1.00 1.00 C ATOM 1113 O CYS A 76 67.083 2.724 8.320 1.00 1.00 O ATOM 1114 CB CYS A 76 67.285 0.919 6.278 1.00 1.00 C ATOM 1115 SG CYS A 76 67.955 2.096 5.077 1.00 1.00 S ATOM 0 H CYS A 76 67.713 -0.666 8.923 1.00 1.00 H new ATOM 0 HA CYS A 76 69.256 1.023 7.136 1.00 1.00 H new ATOM 0 HB2 CYS A 76 67.150 -0.056 5.811 1.00 1.00 H new ATOM 0 HB3 CYS A 76 66.303 1.249 6.617 1.00 1.00 H new ATOM 1120 N GLU A 77 68.322 1.610 9.755 1.00 1.00 N ATOM 1121 CA GLU A 77 67.964 2.535 10.871 1.00 1.00 C ATOM 1122 C GLU A 77 68.637 3.892 10.649 1.00 1.00 C ATOM 1123 O GLU A 77 69.648 3.993 9.984 1.00 1.00 O ATOM 1124 CB GLU A 77 68.442 1.931 12.199 1.00 1.00 C ATOM 1125 CG GLU A 77 67.448 2.281 13.308 1.00 1.00 C ATOM 1126 CD GLU A 77 67.394 3.799 13.486 1.00 1.00 C ATOM 1127 OE1 GLU A 77 68.409 4.370 13.851 1.00 1.00 O ATOM 1128 OE2 GLU A 77 66.339 4.366 13.254 1.00 1.00 O ATOM 0 H GLU A 77 68.956 0.852 10.009 1.00 1.00 H new ATOM 0 HA GLU A 77 66.883 2.673 10.901 1.00 1.00 H new ATOM 0 HB2 GLU A 77 68.533 0.849 12.106 1.00 1.00 H new ATOM 0 HB3 GLU A 77 69.431 2.314 12.449 1.00 1.00 H new ATOM 0 HG2 GLU A 77 66.459 1.898 13.058 1.00 1.00 H new ATOM 0 HG3 GLU A 77 67.747 1.805 14.242 1.00 1.00 H new ATOM 1135 N LEU A 78 68.083 4.938 11.201 1.00 1.00 N ATOM 1136 CA LEU A 78 68.690 6.285 11.017 1.00 1.00 C ATOM 1137 C LEU A 78 68.685 6.628 9.527 1.00 1.00 C ATOM 1138 O LEU A 78 68.815 5.763 8.684 1.00 1.00 O ATOM 1139 CB LEU A 78 70.130 6.273 11.549 1.00 1.00 C ATOM 1140 CG LEU A 78 70.515 7.675 12.026 1.00 1.00 C ATOM 1141 CD1 LEU A 78 69.926 7.921 13.416 1.00 1.00 C ATOM 1142 CD2 LEU A 78 72.039 7.789 12.091 1.00 1.00 C ATOM 0 H LEU A 78 67.237 4.917 11.771 1.00 1.00 H new ATOM 0 HA LEU A 78 68.117 7.033 11.565 1.00 1.00 H new ATOM 0 HB2 LEU A 78 70.219 5.562 12.370 1.00 1.00 H new ATOM 0 HB3 LEU A 78 70.814 5.944 10.767 1.00 1.00 H new ATOM 0 HG LEU A 78 70.123 8.416 11.330 1.00 1.00 H new ATOM 0 HD11 LEU A 78 70.200 8.920 13.756 1.00 1.00 H new ATOM 0 HD12 LEU A 78 68.840 7.839 13.371 1.00 1.00 H new ATOM 0 HD13 LEU A 78 70.317 7.180 14.113 1.00 1.00 H new ATOM 0 HD21 LEU A 78 72.315 8.787 12.431 1.00 1.00 H new ATOM 0 HD22 LEU A 78 72.430 7.048 12.788 1.00 1.00 H new ATOM 0 HD23 LEU A 78 72.460 7.613 11.101 1.00 1.00 H new ATOM 1154 N HIS A 79 68.523 7.878 9.189 1.00 1.00 N ATOM 1155 CA HIS A 79 68.497 8.253 7.747 1.00 1.00 C ATOM 1156 C HIS A 79 67.475 7.365 7.034 1.00 1.00 C ATOM 1157 O HIS A 79 67.779 6.261 6.629 1.00 1.00 O ATOM 1158 CB HIS A 79 69.882 8.029 7.139 1.00 1.00 C ATOM 1159 CG HIS A 79 70.917 8.726 7.978 1.00 1.00 C ATOM 1160 ND1 HIS A 79 70.913 9.941 8.620 1.00 1.00 N flip ATOM 1161 CD2 HIS A 79 72.157 8.162 8.242 1.00 1.00 C flip ATOM 1162 CE1 HIS A 79 72.129 10.125 9.270 1.00 1.00 C flip ATOM 1163 NE2 HIS A 79 72.842 9.027 9.011 1.00 1.00 N flip ATOM 0 H HIS A 79 68.408 8.651 9.844 1.00 1.00 H new ATOM 0 HA HIS A 79 68.223 9.302 7.635 1.00 1.00 H new ATOM 0 HB2 HIS A 79 70.099 6.962 7.086 1.00 1.00 H new ATOM 0 HB3 HIS A 79 69.909 8.411 6.118 1.00 1.00 H new ATOM 0 HD2 HIS A 79 72.508 7.202 7.893 1.00 1.00 H new ATOM 0 HE1 HIS A 79 72.432 10.977 9.860 1.00 1.00 H new ATOM 0 HE2 HIS A 79 73.789 8.864 9.354 1.00 1.00 H new ATOM 1172 N GLU A 80 66.259 7.826 6.898 1.00 1.00 N ATOM 1173 CA GLU A 80 65.214 6.991 6.235 1.00 1.00 C ATOM 1174 C GLU A 80 64.851 7.567 4.863 1.00 1.00 C ATOM 1175 O GLU A 80 65.410 7.183 3.854 1.00 1.00 O ATOM 1176 CB GLU A 80 63.964 6.956 7.117 1.00 1.00 C ATOM 1177 CG GLU A 80 64.358 6.568 8.544 1.00 1.00 C ATOM 1178 CD GLU A 80 63.107 6.521 9.424 1.00 1.00 C ATOM 1179 OE1 GLU A 80 62.605 7.581 9.762 1.00 1.00 O ATOM 1180 OE2 GLU A 80 62.673 5.427 9.745 1.00 1.00 O ATOM 0 H GLU A 80 65.945 8.743 7.217 1.00 1.00 H new ATOM 0 HA GLU A 80 65.605 5.983 6.097 1.00 1.00 H new ATOM 0 HB2 GLU A 80 63.477 7.931 7.115 1.00 1.00 H new ATOM 0 HB3 GLU A 80 63.245 6.240 6.719 1.00 1.00 H new ATOM 0 HG2 GLU A 80 64.853 5.597 8.545 1.00 1.00 H new ATOM 0 HG3 GLU A 80 65.071 7.289 8.945 1.00 1.00 H new ATOM 1187 N LEU A 81 63.900 8.461 4.812 1.00 1.00 N ATOM 1188 CA LEU A 81 63.480 9.036 3.500 1.00 1.00 C ATOM 1189 C LEU A 81 64.097 10.425 3.284 1.00 1.00 C ATOM 1190 O LEU A 81 64.607 10.725 2.224 1.00 1.00 O ATOM 1191 CB LEU A 81 61.950 9.142 3.460 1.00 1.00 C ATOM 1192 CG LEU A 81 61.423 9.535 4.841 1.00 1.00 C ATOM 1193 CD1 LEU A 81 60.187 10.422 4.684 1.00 1.00 C ATOM 1194 CD2 LEU A 81 61.047 8.273 5.620 1.00 1.00 C ATOM 0 H LEU A 81 63.395 8.819 5.623 1.00 1.00 H new ATOM 0 HA LEU A 81 63.831 8.378 2.705 1.00 1.00 H new ATOM 0 HB2 LEU A 81 61.647 9.883 2.720 1.00 1.00 H new ATOM 0 HB3 LEU A 81 61.518 8.190 3.153 1.00 1.00 H new ATOM 0 HG LEU A 81 62.196 10.082 5.382 1.00 1.00 H new ATOM 0 HD11 LEU A 81 59.812 10.701 5.669 1.00 1.00 H new ATOM 0 HD12 LEU A 81 60.453 11.321 4.128 1.00 1.00 H new ATOM 0 HD13 LEU A 81 59.414 9.876 4.143 1.00 1.00 H new ATOM 0 HD21 LEU A 81 60.671 8.552 6.605 1.00 1.00 H new ATOM 0 HD22 LEU A 81 60.275 7.727 5.078 1.00 1.00 H new ATOM 0 HD23 LEU A 81 61.927 7.640 5.733 1.00 1.00 H new ATOM 1206 N ALA A 82 64.038 11.281 4.266 1.00 1.00 N ATOM 1207 CA ALA A 82 64.606 12.652 4.095 1.00 1.00 C ATOM 1208 C ALA A 82 66.009 12.567 3.493 1.00 1.00 C ATOM 1209 O ALA A 82 66.908 11.993 4.069 1.00 1.00 O ATOM 1210 CB ALA A 82 64.674 13.347 5.456 1.00 1.00 C ATOM 0 H ALA A 82 63.622 11.093 5.178 1.00 1.00 H new ATOM 0 HA ALA A 82 63.966 13.223 3.423 1.00 1.00 H new ATOM 0 HB1 ALA A 82 65.088 14.348 5.333 1.00 1.00 H new ATOM 0 HB2 ALA A 82 63.672 13.419 5.879 1.00 1.00 H new ATOM 0 HB3 ALA A 82 65.310 12.771 6.127 1.00 1.00 H new ATOM 1216 N GLN A 83 66.203 13.139 2.334 1.00 1.00 N ATOM 1217 CA GLN A 83 67.549 13.093 1.692 1.00 1.00 C ATOM 1218 C GLN A 83 68.097 11.667 1.765 1.00 1.00 C ATOM 1219 O GLN A 83 69.279 11.435 1.603 1.00 1.00 O ATOM 1220 CB GLN A 83 68.498 14.052 2.416 1.00 1.00 C ATOM 1221 CG GLN A 83 68.136 15.495 2.060 1.00 1.00 C ATOM 1222 CD GLN A 83 68.751 15.858 0.707 1.00 1.00 C ATOM 1223 OE1 GLN A 83 68.422 15.266 -0.301 1.00 1.00 O ATOM 1224 NE2 GLN A 83 69.639 16.813 0.643 1.00 1.00 N ATOM 0 H GLN A 83 65.487 13.636 1.804 1.00 1.00 H new ATOM 0 HA GLN A 83 67.466 13.395 0.648 1.00 1.00 H new ATOM 0 HB2 GLN A 83 68.429 13.904 3.494 1.00 1.00 H new ATOM 0 HB3 GLN A 83 69.529 13.844 2.131 1.00 1.00 H new ATOM 0 HG2 GLN A 83 67.053 15.610 2.021 1.00 1.00 H new ATOM 0 HG3 GLN A 83 68.501 16.173 2.831 1.00 1.00 H new ATOM 0 HE21 GLN A 83 69.915 17.310 1.490 1.00 1.00 H new ATOM 0 HE22 GLN A 83 70.056 17.062 -0.254 1.00 1.00 H new ATOM 1233 N TYR A 84 67.240 10.709 2.001 1.00 1.00 N ATOM 1234 CA TYR A 84 67.695 9.290 2.076 1.00 1.00 C ATOM 1235 C TYR A 84 66.654 8.404 1.389 1.00 1.00 C ATOM 1236 O TYR A 84 66.820 7.207 1.269 1.00 1.00 O ATOM 1237 CB TYR A 84 67.842 8.863 3.540 1.00 1.00 C ATOM 1238 CG TYR A 84 68.855 9.747 4.227 1.00 1.00 C ATOM 1239 CD1 TYR A 84 70.169 9.811 3.747 1.00 1.00 C ATOM 1240 CD2 TYR A 84 68.481 10.503 5.345 1.00 1.00 C ATOM 1241 CE1 TYR A 84 71.108 10.630 4.384 1.00 1.00 C ATOM 1242 CE2 TYR A 84 69.421 11.322 5.982 1.00 1.00 C ATOM 1243 CZ TYR A 84 70.734 11.386 5.501 1.00 1.00 C ATOM 1244 OH TYR A 84 71.660 12.194 6.129 1.00 1.00 O ATOM 0 H TYR A 84 66.240 10.849 2.146 1.00 1.00 H new ATOM 0 HA TYR A 84 68.661 9.189 1.581 1.00 1.00 H new ATOM 0 HB2 TYR A 84 66.880 8.933 4.048 1.00 1.00 H new ATOM 0 HB3 TYR A 84 68.157 7.821 3.595 1.00 1.00 H new ATOM 0 HD1 TYR A 84 70.458 9.228 2.885 1.00 1.00 H new ATOM 0 HD2 TYR A 84 67.468 10.454 5.716 1.00 1.00 H new ATOM 0 HE1 TYR A 84 72.121 10.679 4.014 1.00 1.00 H new ATOM 0 HE2 TYR A 84 69.133 11.905 6.845 1.00 1.00 H new ATOM 0 HH TYR A 84 71.236 12.650 6.886 1.00 1.00 H new ATOM 1254 N GLY A 85 65.581 8.993 0.930 1.00 1.00 N ATOM 1255 CA GLY A 85 64.520 8.204 0.239 1.00 1.00 C ATOM 1256 C GLY A 85 64.765 8.253 -1.268 1.00 1.00 C ATOM 1257 O GLY A 85 64.386 7.360 -1.998 1.00 1.00 O ATOM 0 H GLY A 85 65.394 9.993 1.005 1.00 1.00 H new ATOM 0 HA2 GLY A 85 64.531 7.172 0.589 1.00 1.00 H new ATOM 0 HA3 GLY A 85 63.536 8.610 0.474 1.00 1.00 H new ATOM 1261 N ILE A 86 65.407 9.289 -1.738 1.00 1.00 N ATOM 1262 CA ILE A 86 65.690 9.395 -3.201 1.00 1.00 C ATOM 1263 C ILE A 86 66.426 8.132 -3.664 1.00 1.00 C ATOM 1264 O ILE A 86 66.760 7.984 -4.823 1.00 1.00 O ATOM 1265 CB ILE A 86 66.563 10.630 -3.463 1.00 1.00 C ATOM 1266 CG1 ILE A 86 66.056 11.800 -2.617 1.00 1.00 C ATOM 1267 CG2 ILE A 86 66.488 11.004 -4.944 1.00 1.00 C ATOM 1268 CD1 ILE A 86 64.555 11.986 -2.850 1.00 1.00 C ATOM 0 H ILE A 86 65.748 10.067 -1.173 1.00 1.00 H new ATOM 0 HA ILE A 86 64.755 9.493 -3.752 1.00 1.00 H new ATOM 0 HB ILE A 86 67.596 10.407 -3.196 1.00 1.00 H new ATOM 0 HG12 ILE A 86 66.250 11.610 -1.561 1.00 1.00 H new ATOM 0 HG13 ILE A 86 66.591 12.712 -2.881 1.00 1.00 H new ATOM 0 HG21 ILE A 86 67.108 11.881 -5.130 1.00 1.00 H new ATOM 0 HG22 ILE A 86 66.847 10.171 -5.548 1.00 1.00 H new ATOM 0 HG23 ILE A 86 65.455 11.227 -5.211 1.00 1.00 H new ATOM 0 HD11 ILE A 86 64.194 12.819 -2.247 1.00 1.00 H new ATOM 0 HD12 ILE A 86 64.374 12.195 -3.904 1.00 1.00 H new ATOM 0 HD13 ILE A 86 64.027 11.076 -2.564 1.00 1.00 H new ATOM 1280 N CYS A 87 66.678 7.217 -2.768 1.00 1.00 N ATOM 1281 CA CYS A 87 67.386 5.966 -3.155 1.00 1.00 C ATOM 1282 C CYS A 87 66.640 5.295 -4.310 1.00 1.00 C ATOM 1283 CB CYS A 87 67.436 5.017 -1.952 1.00 1.00 C ATOM 1284 SG CYS A 87 68.963 4.047 -2.009 1.00 1.00 S ATOM 0 H CYS A 87 66.423 7.283 -1.783 1.00 1.00 H new ATOM 0 HA CYS A 87 68.402 6.203 -3.471 1.00 1.00 H new ATOM 0 HB2 CYS A 87 67.389 5.587 -1.024 1.00 1.00 H new ATOM 0 HB3 CYS A 87 66.571 4.354 -1.963 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 68.104 -11.810 4.646 1.00 1.00 C HETATM 1291 O1G RCY A 110 64.345 -15.249 2.509 1.00 1.00 O HETATM 1292 O1H RCY A 110 68.846 -13.968 3.141 1.00 1.00 O HETATM 1293 O1J RCY A 110 66.433 -10.574 6.825 1.00 1.00 O HETATM 1294 C1L RCY A 110 66.472 -16.152 1.704 1.00 1.00 C HETATM 1295 C1M RCY A 110 64.703 -13.267 4.714 1.00 1.00 C HETATM 1296 C1P RCY A 110 65.570 -15.161 2.451 1.00 1.00 C HETATM 1297 C1Q RCY A 110 67.796 -14.359 2.633 1.00 1.00 C HETATM 1298 N1R RCY A 110 66.383 -14.050 3.114 1.00 1.00 N HETATM 1299 C1S RCY A 110 67.670 -15.244 1.406 1.00 1.00 C HETATM 1300 C1U RCY A 110 65.912 -12.915 4.025 1.00 1.00 C HETATM 1301 C1V RCY A 110 67.327 -13.876 5.892 1.00 1.00 C HETATM 1302 N1V RCY A 110 66.029 -11.741 6.046 1.00 1.00 N HETATM 1303 C1W RCY A 110 64.637 -12.362 5.950 1.00 1.00 C HETATM 1304 C1X RCY A 110 66.900 -12.609 5.150 1.00 1.00 C HETATM 1305 C1Y RCY A 110 64.330 -13.186 7.204 1.00 1.00 C HETATM 1306 C1Z RCY A 110 63.603 -11.250 5.770 1.00 1.00 C HETATM 0 H1ZB RCY A 110 63.871 -10.640 4.908 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 62.619 -11.691 5.610 1.00 1.00 H new HETATM 0 H1YB RCY A 110 63.371 -13.689 7.083 1.00 1.00 H new HETATM 0 H1YA RCY A 110 65.113 -13.929 7.352 1.00 1.00 H new HETATM 0 H1VB RCY A 110 67.903 -14.514 5.221 1.00 1.00 H new HETATM 0 H1VA RCY A 110 67.941 -13.605 6.751 1.00 1.00 H new HETATM 0 H1MA RCY A 110 63.833 -13.117 4.075 1.00 1.00 H new HETATM 0 H1LA RCY A 110 66.743 -17.013 2.316 1.00 1.00 H new HETATM 0 H1CB RCY A 110 68.625 -12.383 3.879 1.00 1.00 H new HETATM 0 H1CA RCY A 110 67.763 -10.865 4.224 1.00 1.00 H new HETATM 0 H1Z RCY A 110 63.581 -10.626 6.663 1.00 1.00 H new HETATM 0 H1Y RCY A 110 64.287 -12.527 8.071 1.00 1.00 H new HETATM 0 H1V RCY A 110 66.442 -14.414 6.233 1.00 1.00 H new HETATM 0 H1U RCY A 110 65.791 -12.064 3.354 1.00 1.00 H new HETATM 0 H1S RCY A 110 67.504 -14.652 0.506 1.00 1.00 H new HETATM 0 H1L RCY A 110 66.006 -16.539 0.798 1.00 1.00 H new HETATM 0 H1C RCY A 110 68.783 -11.613 5.476 1.00 1.00 H new HETATM 1309 C1C RCY A 121 63.554 -2.617 -3.177 1.00 1.00 C HETATM 1310 O1G RCY A 121 61.647 -3.335 -3.520 1.00 1.00 O HETATM 1311 O1H RCY A 121 60.837 -0.195 -6.952 1.00 1.00 O HETATM 1312 O1J RCY A 121 65.136 -3.191 -5.675 1.00 1.00 O HETATM 1313 C1L RCY A 121 59.993 -3.210 -5.319 1.00 1.00 C HETATM 1314 C1M RCY A 121 63.440 0.246 -5.519 1.00 1.00 C HETATM 1315 C1P RCY A 121 61.170 -2.715 -4.469 1.00 1.00 C HETATM 1316 C1Q RCY A 121 60.679 -1.012 -6.047 1.00 1.00 C HETATM 1317 N1R RCY A 121 61.678 -1.356 -4.949 1.00 1.00 N HETATM 1318 C1S RCY A 121 59.447 -1.867 -5.817 1.00 1.00 C HETATM 1319 C1U RCY A 121 62.877 -0.542 -4.460 1.00 1.00 C HETATM 1320 C1V RCY A 121 65.098 -0.608 -3.245 1.00 1.00 C HETATM 1321 N1V RCY A 121 64.583 -1.882 -5.339 1.00 1.00 N HETATM 1322 C1W RCY A 121 64.423 -0.672 -6.258 1.00 1.00 C HETATM 1323 C1X RCY A 121 64.039 -1.418 -3.995 1.00 1.00 C HETATM 1324 C1Y RCY A 121 65.768 0.031 -6.458 1.00 1.00 C HETATM 1325 C1Z RCY A 121 63.851 -1.134 -7.598 1.00 1.00 C HETATM 0 H1ZB RCY A 121 62.925 -1.683 -7.428 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 63.649 -0.266 -8.226 1.00 1.00 H new HETATM 0 H1YB RCY A 121 65.621 0.937 -7.045 1.00 1.00 H new HETATM 0 H1YA RCY A 121 66.190 0.292 -5.487 1.00 1.00 H new HETATM 0 H1VB RCY A 121 64.677 -0.236 -2.311 1.00 1.00 H new HETATM 0 H1VA RCY A 121 65.957 -1.244 -3.029 1.00 1.00 H new HETATM 0 H1MA RCY A 121 62.662 0.606 -6.192 1.00 1.00 H new HETATM 0 H1LA RCY A 121 60.311 -3.860 -6.134 1.00 1.00 H new HETATM 0 H1CB RCY A 121 63.018 -2.264 -2.296 1.00 1.00 H new HETATM 0 H1CA RCY A 121 62.888 -3.228 -3.786 1.00 1.00 H new HETATM 0 H1Z RCY A 121 64.571 -1.783 -8.097 1.00 1.00 H new HETATM 0 H1Y RCY A 121 66.452 -0.635 -6.984 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.416 0.234 -3.860 1.00 1.00 H new HETATM 0 H1U RCY A 121 62.477 0.061 -3.644 1.00 1.00 H new HETATM 0 H1S RCY A 121 58.781 -1.413 -5.083 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.950 1.124 -5.122 1.00 1.00 H new HETATM 0 H1L RCY A 121 59.261 -3.767 -4.734 1.00 1.00 H new HETATM 0 H1C RCY A 121 64.410 -3.215 -2.865 1.00 1.00 H new HETATM 1328 C1C RCY A 130 75.077 5.688 -10.483 1.00 1.00 C HETATM 1329 O1G RCY A 130 78.478 3.077 -8.942 1.00 1.00 O HETATM 1330 O1H RCY A 130 77.069 3.293 -13.444 1.00 1.00 O HETATM 1331 O1J RCY A 130 75.694 8.528 -11.273 1.00 1.00 O HETATM 1332 C1L RCY A 130 78.127 1.381 -10.671 1.00 1.00 C HETATM 1333 C1M RCY A 130 78.520 5.990 -11.803 1.00 1.00 C HETATM 1334 C1P RCY A 130 78.122 2.799 -10.086 1.00 1.00 C HETATM 1335 C1Q RCY A 130 77.219 2.939 -12.276 1.00 1.00 C HETATM 1336 N1R RCY A 130 77.619 3.824 -11.102 1.00 1.00 N HETATM 1337 C1S RCY A 130 77.036 1.532 -11.736 1.00 1.00 C HETATM 1338 C1U RCY A 130 77.535 5.347 -10.981 1.00 1.00 C HETATM 1339 C1V RCY A 130 75.854 5.367 -12.874 1.00 1.00 C HETATM 1340 N1V RCY A 130 76.557 7.389 -11.574 1.00 1.00 N HETATM 1341 C1W RCY A 130 78.010 7.416 -12.044 1.00 1.00 C HETATM 1342 C1X RCY A 130 76.208 5.909 -11.488 1.00 1.00 C HETATM 1343 C1Y RCY A 130 78.084 7.770 -13.532 1.00 1.00 C HETATM 1344 C1Z RCY A 130 78.787 8.434 -11.209 1.00 1.00 C HETATM 0 H1ZB RCY A 130 78.672 8.200 -10.151 1.00 1.00 H new HETATM 0 H1YB RCY A 130 79.118 7.703 -13.871 1.00 1.00 H new HETATM 0 H1YA RCY A 130 77.469 7.074 -14.103 1.00 1.00 H new HETATM 0 H1VA RCY A 130 74.963 5.873 -13.246 1.00 1.00 H new HETATM 0 H1MA RCY A 130 79.492 6.002 -11.309 1.00 1.00 H new HETATM 0 H1LA RCY A 130 79.092 1.109 -11.098 1.00 1.00 H new HETATM 0 H1CB RCY A 130 74.951 4.620 -10.306 1.00 1.00 H new HETATM 0 H1CA RCY A 130 75.322 6.185 -9.544 1.00 1.00 H new HETATM 0 H1Z RCY A 130 78.401 9.435 -11.403 1.00 1.00 H new HETATM 0 H1Y RCY A 130 77.718 8.786 -13.683 1.00 1.00 H new HETATM 0 H1U RCY A 130 77.673 5.541 -9.917 1.00 1.00 H new HETATM 0 H1S RCY A 130 76.043 1.398 -11.308 1.00 1.00 H new HETATM 0 H1M RCY A 130 78.648 5.458 -12.746 1.00 1.00 H new HETATM 0 H1L RCY A 130 77.882 0.622 -9.928 1.00 1.00 H new HETATM 0 H1C RCY A 130 74.151 6.102 -10.881 1.00 1.00 H new HETATM 1347 C1C RCY A 138 83.255 4.259 -0.497 1.00 1.00 C HETATM 1348 O1G RCY A 138 84.288 4.947 -3.991 1.00 1.00 O HETATM 1349 O1H RCY A 138 83.656 8.625 -1.097 1.00 1.00 O HETATM 1350 O1J RCY A 138 84.515 2.505 -2.596 1.00 1.00 O HETATM 1351 C1L RCY A 138 83.016 7.029 -4.181 1.00 1.00 C HETATM 1352 C1M RCY A 138 86.524 5.611 -1.584 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.909 5.999 -3.478 1.00 1.00 C HETATM 1354 C1Q RCY A 138 83.462 7.725 -1.912 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.271 6.443 -2.062 1.00 1.00 N HETATM 1356 C1S RCY A 138 82.364 7.688 -2.960 1.00 1.00 C HETATM 1357 C1U RCY A 138 85.204 5.779 -1.047 1.00 1.00 C HETATM 1358 C1V RCY A 138 85.531 3.828 0.534 1.00 1.00 C HETATM 1359 N1V RCY A 138 85.199 3.615 -1.940 1.00 1.00 N HETATM 1360 C1W RCY A 138 86.504 4.289 -2.361 1.00 1.00 C HETATM 1361 C1X RCY A 138 84.771 4.360 -0.683 1.00 1.00 C HETATM 1362 C1Y RCY A 138 87.704 3.419 -1.975 1.00 1.00 C HETATM 1363 C1Z RCY A 138 86.478 4.531 -3.870 1.00 1.00 C HETATM 0 H1ZB RCY A 138 85.586 5.100 -4.132 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 87.365 5.092 -4.164 1.00 1.00 H new HETATM 0 H1YB RCY A 138 88.628 3.950 -2.206 1.00 1.00 H new HETATM 0 H1YA RCY A 138 87.667 3.202 -0.908 1.00 1.00 H new HETATM 0 H1VB RCY A 138 85.256 4.406 1.416 1.00 1.00 H new HETATM 0 H1VA RCY A 138 85.276 2.780 0.693 1.00 1.00 H new HETATM 0 H1MA RCY A 138 86.787 6.443 -2.237 1.00 1.00 H new HETATM 0 H1CA RCY A 138 82.755 4.542 -1.423 1.00 1.00 H new HETATM 0 H1Z RCY A 138 86.464 3.574 -4.392 1.00 1.00 H new HETATM 0 H1Y RCY A 138 87.672 2.485 -2.537 1.00 1.00 H new HETATM 0 H1V RCY A 138 86.603 3.918 0.361 1.00 1.00 H new HETATM 0 H1S RCY A 138 81.504 7.116 -2.613 1.00 1.00 H new HETATM 0 H1L RCY A 138 82.286 6.565 -4.844 1.00 1.00 H new HETATM 0 H1C RCY A 138 82.988 3.234 -0.239 1.00 1.00 H new HETATM 1366 C1C RCY A 150 80.319 7.329 3.693 1.00 1.00 C HETATM 1367 O1G RCY A 150 82.921 8.362 3.306 1.00 1.00 O HETATM 1368 O1H RCY A 150 83.329 5.914 -0.712 1.00 1.00 O HETATM 1369 O1J RCY A 150 77.714 6.070 2.859 1.00 1.00 O HETATM 1370 C1L RCY A 150 84.837 7.698 1.937 1.00 1.00 C HETATM 1371 C1M RCY A 150 80.550 5.913 0.282 1.00 1.00 C HETATM 1372 C1P RCY A 150 83.354 7.759 2.325 1.00 1.00 C HETATM 1373 C1Q RCY A 150 83.522 6.355 0.420 1.00 1.00 C HETATM 1374 N1R RCY A 150 82.483 6.978 1.343 1.00 1.00 N HETATM 1375 C1S RCY A 150 84.849 6.378 1.157 1.00 1.00 C HETATM 1376 C1U RCY A 150 80.959 6.847 1.291 1.00 1.00 C HETATM 1377 C1V RCY A 150 81.094 5.009 3.027 1.00 1.00 C HETATM 1378 N1V RCY A 150 78.960 5.945 2.109 1.00 1.00 N HETATM 1379 C1W RCY A 150 79.141 5.449 0.675 1.00 1.00 C HETATM 1380 C1X RCY A 150 80.368 6.280 2.581 1.00 1.00 C HETATM 1381 C1Y RCY A 150 79.042 3.922 0.620 1.00 1.00 C HETATM 1382 C1Z RCY A 150 78.077 6.091 -0.215 1.00 1.00 C HETATM 0 H1ZB RCY A 150 78.125 7.175 -0.115 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 78.256 5.814 -1.254 1.00 1.00 H new HETATM 0 H1YB RCY A 150 79.257 3.580 -0.392 1.00 1.00 H new HETATM 0 H1YA RCY A 150 79.763 3.486 1.311 1.00 1.00 H new HETATM 0 H1VB RCY A 150 82.118 5.255 3.309 1.00 1.00 H new HETATM 0 H1VA RCY A 150 80.576 4.575 3.882 1.00 1.00 H new HETATM 0 H1MA RCY A 150 80.545 6.381 -0.703 1.00 1.00 H new HETATM 0 H1CB RCY A 150 81.328 7.681 3.906 1.00 1.00 H new HETATM 0 H1CA RCY A 150 79.701 8.169 3.374 1.00 1.00 H new HETATM 0 H1Z RCY A 150 77.090 5.742 0.089 1.00 1.00 H new HETATM 0 H1Y RCY A 150 78.036 3.612 0.902 1.00 1.00 H new HETATM 0 H1V RCY A 150 81.106 4.290 2.208 1.00 1.00 H new HETATM 0 H1U RCY A 150 80.608 7.861 1.102 1.00 1.00 H new HETATM 0 H1S RCY A 150 84.945 5.523 1.826 1.00 1.00 H new HETATM 0 H1M RCY A 150 81.238 5.069 0.231 1.00 1.00 H new HETATM 0 H1L RCY A 150 85.495 7.676 2.806 1.00 1.00 H new HETATM 0 H1C RCY A 150 79.892 6.886 4.593 1.00 1.00 H new HETATM 1385 C1C RCY A 160 78.715 5.921 -8.213 1.00 1.00 C HETATM 1386 O1G RCY A 160 79.579 2.537 -11.154 1.00 1.00 O HETATM 1387 O1H RCY A 160 80.195 2.289 -6.479 1.00 1.00 O HETATM 1388 O1J RCY A 160 75.918 6.191 -7.130 1.00 1.00 O HETATM 1389 C1L RCY A 160 81.349 1.604 -9.745 1.00 1.00 C HETATM 1390 C1M RCY A 160 77.058 2.622 -7.950 1.00 1.00 C HETATM 1391 C1P RCY A 160 80.037 2.346 -10.028 1.00 1.00 C HETATM 1392 C1Q RCY A 160 80.396 2.426 -7.685 1.00 1.00 C HETATM 1393 N1R RCY A 160 79.368 2.819 -8.738 1.00 1.00 N HETATM 1394 C1S RCY A 160 81.721 2.235 -8.399 1.00 1.00 C HETATM 1395 C1U RCY A 160 78.017 3.510 -8.544 1.00 1.00 C HETATM 1396 C1V RCY A 160 78.790 4.299 -6.265 1.00 1.00 C HETATM 1397 N1V RCY A 160 76.603 4.915 -7.318 1.00 1.00 N HETATM 1398 C1W RCY A 160 75.990 3.516 -7.306 1.00 1.00 C HETATM 1399 C1X RCY A 160 78.086 4.684 -7.568 1.00 1.00 C HETATM 1400 C1Y RCY A 160 75.707 3.067 -5.870 1.00 1.00 C HETATM 1401 C1Z RCY A 160 74.704 3.526 -8.132 1.00 1.00 C HETATM 0 H1ZB RCY A 160 74.917 3.905 -9.132 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 74.310 2.512 -8.204 1.00 1.00 H new HETATM 0 H1YB RCY A 160 75.350 2.037 -5.874 1.00 1.00 H new HETATM 0 H1YA RCY A 160 76.622 3.131 -5.282 1.00 1.00 H new HETATM 0 H1VB RCY A 160 79.839 4.081 -6.468 1.00 1.00 H new HETATM 0 H1VA RCY A 160 78.722 5.125 -5.557 1.00 1.00 H new HETATM 0 H1MA RCY A 160 76.616 1.967 -8.701 1.00 1.00 H new HETATM 0 H1LA RCY A 160 81.212 0.525 -9.677 1.00 1.00 H new HETATM 0 H1Z RCY A 160 73.967 4.168 -7.650 1.00 1.00 H new HETATM 0 H1Y RCY A 160 74.947 3.713 -5.430 1.00 1.00 H new HETATM 0 H1V RCY A 160 78.312 3.416 -5.840 1.00 1.00 H new HETATM 0 H1S RCY A 160 82.238 3.185 -8.536 1.00 1.00 H new HETATM 0 H1M RCY A 160 77.530 1.981 -7.205 1.00 1.00 H new HETATM 0 H1L RCY A 160 82.103 1.782 -10.512 1.00 1.00 H new HETATM 1404 C1C RCY A 168 79.249 -1.455 -1.330 1.00 1.00 C HETATM 1405 O1G RCY A 168 74.426 0.583 0.153 1.00 1.00 O HETATM 1406 O1H RCY A 168 77.723 -2.762 0.647 1.00 1.00 O HETATM 1407 O1J RCY A 168 79.833 0.507 -3.539 1.00 1.00 O HETATM 1408 C1L RCY A 168 74.862 -1.096 1.878 1.00 1.00 C HETATM 1409 C1M RCY A 168 76.332 0.725 -1.989 1.00 1.00 C HETATM 1410 C1P RCY A 168 75.098 -0.368 0.549 1.00 1.00 C HETATM 1411 C1Q RCY A 168 76.650 -2.160 0.651 1.00 1.00 C HETATM 1412 N1R RCY A 168 76.272 -0.970 -0.222 1.00 1.00 N HETATM 1413 C1S RCY A 168 75.454 -2.468 1.533 1.00 1.00 C HETATM 1414 C1U RCY A 168 76.910 -0.507 -1.534 1.00 1.00 C HETATM 1415 C1V RCY A 168 78.665 0.737 -0.198 1.00 1.00 C HETATM 1416 N1V RCY A 168 78.642 0.555 -2.696 1.00 1.00 N HETATM 1417 C1W RCY A 168 77.364 1.359 -2.929 1.00 1.00 C HETATM 1418 C1X RCY A 168 78.396 -0.186 -1.389 1.00 1.00 C HETATM 1419 C1Y RCY A 168 77.586 2.832 -2.571 1.00 1.00 C HETATM 1420 C1Z RCY A 168 76.944 1.218 -4.392 1.00 1.00 C HETATM 0 H1ZB RCY A 168 76.850 0.162 -4.643 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 75.986 1.714 -4.545 1.00 1.00 H new HETATM 0 H1YB RCY A 168 76.645 3.374 -2.663 1.00 1.00 H new HETATM 0 H1YA RCY A 168 77.950 2.907 -1.546 1.00 1.00 H new HETATM 0 H1VB RCY A 168 78.433 0.212 0.729 1.00 1.00 H new HETATM 0 H1VA RCY A 168 79.715 1.031 -0.195 1.00 1.00 H new HETATM 0 H1MA RCY A 168 75.391 0.545 -2.508 1.00 1.00 H new HETATM 0 H1LA RCY A 168 75.375 -0.618 2.713 1.00 1.00 H new HETATM 0 H1Z RCY A 168 77.697 1.678 -5.033 1.00 1.00 H new HETATM 0 H1Y RCY A 168 78.322 3.264 -3.249 1.00 1.00 H new HETATM 0 H1V RCY A 168 78.039 1.626 -0.278 1.00 1.00 H new HETATM 0 H1U RCY A 168 76.744 -1.336 -2.221 1.00 1.00 H new HETATM 0 H1S RCY A 168 74.728 -3.093 1.012 1.00 1.00 H new HETATM 0 H1M RCY A 168 76.112 1.385 -1.150 1.00 1.00 H new HETATM 0 H1L RCY A 168 73.806 -1.151 2.142 1.00 1.00 H new HETATM 1423 C1C RCY A 173 71.110 0.582 5.731 1.00 1.00 C HETATM 1424 O1G RCY A 173 74.041 5.001 6.444 1.00 1.00 O HETATM 1425 O1H RCY A 173 73.359 0.586 7.975 1.00 1.00 O HETATM 1426 O1J RCY A 173 71.520 -0.164 2.842 1.00 1.00 O HETATM 1427 C1L RCY A 173 74.371 3.909 8.609 1.00 1.00 C HETATM 1428 C1M RCY A 173 74.020 2.358 4.291 1.00 1.00 C HETATM 1429 C1P RCY A 173 73.946 3.989 7.137 1.00 1.00 C HETATM 1430 C1Q RCY A 173 73.397 1.814 7.908 1.00 1.00 C HETATM 1431 N1R RCY A 173 73.390 2.656 6.639 1.00 1.00 N HETATM 1432 C1S RCY A 173 73.459 2.773 9.083 1.00 1.00 C HETATM 1433 C1U RCY A 173 72.940 2.259 5.231 1.00 1.00 C HETATM 1434 C1V RCY A 173 73.539 -0.144 5.758 1.00 1.00 C HETATM 1435 N1V RCY A 173 72.469 0.621 3.627 1.00 1.00 N HETATM 1436 C1W RCY A 173 73.646 1.448 3.114 1.00 1.00 C HETATM 1437 C1X RCY A 173 72.504 0.797 5.139 1.00 1.00 C HETATM 1438 C1Y RCY A 173 74.820 0.536 2.746 1.00 1.00 C HETATM 1439 C1Z RCY A 173 73.195 2.263 1.902 1.00 1.00 C HETATM 0 H1ZB RCY A 173 72.323 2.860 2.169 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 74.003 2.923 1.586 1.00 1.00 H new HETATM 0 H1YB RCY A 173 75.679 1.145 2.463 1.00 1.00 H new HETATM 0 H1YA RCY A 173 75.081 -0.084 3.603 1.00 1.00 H new HETATM 0 H1VB RCY A 173 73.594 0.032 6.832 1.00 1.00 H new HETATM 0 H1MA RCY A 173 74.155 3.388 3.960 1.00 1.00 H new HETATM 0 H1LA RCY A 173 75.428 3.672 8.726 1.00 1.00 H new HETATM 0 H1Z RCY A 173 72.937 1.589 1.085 1.00 1.00 H new HETATM 0 H1Y RCY A 173 74.536 -0.102 1.909 1.00 1.00 H new HETATM 0 H1U RCY A 173 72.117 2.938 5.010 1.00 1.00 H new HETATM 0 H1S RCY A 173 72.468 3.144 9.345 1.00 1.00 H new HETATM 0 H1M RCY A 173 74.960 2.043 4.743 1.00 1.00 H new HETATM 0 H1L RCY A 173 74.192 4.840 9.147 1.00 1.00 H new HETATM 1442 C1C RCY A 176 71.523 -3.068 6.720 1.00 1.00 C HETATM 1443 O1G RCY A 176 72.403 1.007 7.409 1.00 1.00 O HETATM 1444 O1H RCY A 176 69.339 -0.379 4.093 1.00 1.00 O HETATM 1445 O1J RCY A 176 74.180 -4.284 5.991 1.00 1.00 O HETATM 1446 C1L RCY A 176 70.205 1.827 6.711 1.00 1.00 C HETATM 1447 C1M RCY A 176 73.542 -0.741 4.671 1.00 1.00 C HETATM 1448 C1P RCY A 176 71.442 0.922 6.645 1.00 1.00 C HETATM 1449 C1Q RCY A 176 70.032 0.314 4.836 1.00 1.00 C HETATM 1450 N1R RCY A 176 71.334 -0.097 5.512 1.00 1.00 N HETATM 1451 C1S RCY A 176 69.743 1.745 5.252 1.00 1.00 C HETATM 1452 C1U RCY A 176 72.282 -1.240 5.142 1.00 1.00 C HETATM 1453 C1V RCY A 176 73.117 -1.272 7.532 1.00 1.00 C HETATM 1454 N1V RCY A 176 73.827 -2.887 5.755 1.00 1.00 N HETATM 1455 C1W RCY A 176 74.551 -1.879 4.865 1.00 1.00 C HETATM 1456 C1X RCY A 176 72.655 -2.112 6.340 1.00 1.00 C HETATM 1457 C1Y RCY A 176 75.816 -1.364 5.559 1.00 1.00 C HETATM 1458 C1Z RCY A 176 74.901 -2.545 3.534 1.00 1.00 C HETATM 0 H1ZB RCY A 176 73.997 -2.956 3.084 1.00 1.00 H new HETATM 0 H1YB RCY A 176 76.274 -0.586 4.949 1.00 1.00 H new HETATM 0 H1VB RCY A 176 72.282 -0.680 7.905 1.00 1.00 H new HETATM 0 H1VA RCY A 176 73.477 -1.930 8.323 1.00 1.00 H new HETATM 0 H1MA RCY A 176 73.479 -0.451 3.622 1.00 1.00 H new HETATM 0 H1LA RCY A 176 69.454 1.457 7.408 1.00 1.00 H new HETATM 0 H1CB RCY A 176 70.633 -2.494 6.978 1.00 1.00 H new HETATM 0 H1CA RCY A 176 71.301 -3.722 5.877 1.00 1.00 H new HETATM 0 H1V RCY A 176 73.922 -0.607 7.218 1.00 1.00 H new HETATM 0 H1U RCY A 176 71.738 -1.807 4.387 1.00 1.00 H new HETATM 0 H1S RCY A 176 70.282 2.456 4.626 1.00 1.00 H new HETATM 0 H1L RCY A 176 70.448 2.845 7.015 1.00 1.00 H new HETATM 0 H1C RCY A 176 71.827 -3.670 7.576 1.00 1.00 H new HETATM 1461 C1C RCY A 187 71.828 -0.319 -4.260 1.00 1.00 C HETATM 1462 O1G RCY A 187 67.974 0.775 -5.846 1.00 1.00 O HETATM 1463 O1H RCY A 187 70.107 1.293 -1.664 1.00 1.00 O HETATM 1464 O1J RCY A 187 72.123 -0.452 -1.266 1.00 1.00 O HETATM 1465 C1L RCY A 187 68.315 2.694 -4.365 1.00 1.00 C HETATM 1466 C1M RCY A 187 68.840 -1.834 -2.687 1.00 1.00 C HETATM 1467 C1P RCY A 187 68.405 1.220 -4.783 1.00 1.00 C HETATM 1468 C1Q RCY A 187 69.308 1.386 -2.595 1.00 1.00 C HETATM 1469 N1R RCY A 187 69.095 0.374 -3.714 1.00 1.00 N HETATM 1470 C1S RCY A 187 68.350 2.537 -2.841 1.00 1.00 C HETATM 1471 C1U RCY A 187 69.477 -1.107 -3.747 1.00 1.00 C HETATM 1472 C1V RCY A 187 71.377 -2.778 -3.837 1.00 1.00 C HETATM 1473 N1V RCY A 187 71.046 -1.096 -2.011 1.00 1.00 N HETATM 1474 C1W RCY A 187 69.745 -1.676 -1.458 1.00 1.00 C HETATM 1475 C1X RCY A 187 70.968 -1.340 -3.511 1.00 1.00 C HETATM 1476 C1Y RCY A 187 70.001 -3.035 -0.800 1.00 1.00 C HETATM 1477 C1Z RCY A 187 69.147 -0.694 -0.451 1.00 1.00 C HETATM 0 H1ZB RCY A 187 69.028 0.282 -0.921 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 68.174 -1.059 -0.121 1.00 1.00 H new HETATM 0 H1YB RCY A 187 69.053 -3.472 -0.487 1.00 1.00 H new HETATM 0 H1YA RCY A 187 70.488 -3.699 -1.514 1.00 1.00 H new HETATM 0 H1VB RCY A 187 71.263 -2.955 -4.906 1.00 1.00 H new HETATM 0 H1VA RCY A 187 72.418 -2.934 -3.552 1.00 1.00 H new HETATM 0 H1MA RCY A 187 67.843 -1.441 -2.490 1.00 1.00 H new HETATM 0 H1LA RCY A 187 69.148 3.287 -4.743 1.00 1.00 H new HETATM 0 H1CB RCY A 187 71.635 -0.396 -5.330 1.00 1.00 H new HETATM 0 H1CA RCY A 187 71.580 0.686 -3.918 1.00 1.00 H new HETATM 0 H1Z RCY A 187 69.812 -0.604 0.408 1.00 1.00 H new HETATM 0 H1Y RCY A 187 70.645 -2.903 0.070 1.00 1.00 H new HETATM 0 H1V RCY A 187 70.742 -3.471 -3.285 1.00 1.00 H new HETATM 0 H1U RCY A 187 69.171 -1.441 -4.738 1.00 1.00 H new HETATM 0 H1S RCY A 187 67.359 2.320 -2.442 1.00 1.00 H new HETATM 0 H1M RCY A 187 68.722 -2.885 -2.951 1.00 1.00 H new HETATM 0 H1L RCY A 187 67.400 3.172 -4.714 1.00 1.00 H new HETATM 0 H1C RCY A 187 72.882 -0.519 -4.066 1.00 1.00 H new