USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=17 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 31 LYS H : A 31 LYS N : A 130 RCY C1V :(H bumps) USER MOD NoAdj-H: A 33 ARGHH12 : A 33 ARG NH1 : A 138 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 80 GLU H : A 80 GLU N : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 82 ALA H : A 82 ALA N : A 187 RCY O1J :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(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 RCYH1YB : A 130 RCY C1Y : A 32 GLN C :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YA : A 130 RCY C1Y : A 32 GLN N :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VB : A 130 RCY C1V : A 31 LYS N :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VA : A 130 RCY C1V : A 31 LYS N :(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 RCYH1MA : A 130 RCY C1M : A 32 GLN O :(H bumps) USER MOD NoAdj-H: A 130 RCY H1Z : A 130 RCY C1Z : A 32 GLN CB :(H bumps) USER MOD NoAdj-H: A 130 RCY H1Y : A 130 RCY C1Y : A 32 GLN N :(H bumps) USER MOD NoAdj-H: A 130 RCY H1V : A 130 RCY C1V : A 31 LYS N :(H bumps) USER MOD NoAdj-H: A 130 RCY H1M : A 130 RCY C1M : A 32 GLN C :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZB : A 138 RCY C1Z : A 33 ARG NH1 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 79 HIS CE1 :(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 RCY H1Y : A 138 RCY C1Y : A 79 HIS CE1 :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 80 GLU N :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 82 ALA CA :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1CB : A 187 RCY C1C : A 82 ALA CB :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Z : A 187 RCY C1Z : A 80 GLU N :(H bumps) USER MOD NoAdj-H: A 187 RCY H1C : A 187 RCY C1C : A 82 ALA CA :(H bumps) USER MOD Set 1.1: A 39 LYS NZ :NH3+ -109:sc= -0.933 (180deg=-3.93!) USER MOD Set 1.2: A 79 HIS :FLIP no HE2:sc= -43.7! C(o=-47!,f=-45!) USER MOD Set 1.3: A 83 GLN :FLIP amide:sc= -0.575 F(o=-48,f=-45) USER MOD Set 2.1: A 32 GLN : amide:sc= -0.752 K(o=-20,f=-21) USER MOD Set 2.2: A 34 GLN : amide:sc= -19.3! C(o=-20!,f=-30!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.0938 (180deg=-0.194) USER MOD Single : A 2 ASN : amide:sc= -0.862! C(o=-0.86!,f=-6.5!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -122:sc= 0.352 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) 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+ 169:sc= -1.2 (180deg=-1.74) USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.149) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.405 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.019 F(o=-1.5!,f=-0.019) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= -0.229 (180deg=-0.99) USER MOD Single : A 44 LYS NZ :NH3+ -115:sc= -1.33 (180deg=-3.44!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0123 K(o=-0.012,f=-2!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 90:sc= -0.477! USER MOD Single : A 65 THR OG1 : rot -53:sc= 0.0219 USER MOD Single : A 74 ASN : amide:sc= -3.07! C(o=-3.1!,f=-8.9!) USER MOD Single : A 75 HIS : no HD1:sc= -0.632 X(o=-0.63,f=-0.97) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 72.058 -21.889 -16.502 1.00 1.00 N ATOM 2 CA MET A 1 71.864 -21.089 -15.259 1.00 1.00 C ATOM 3 C MET A 1 70.470 -21.364 -14.690 1.00 1.00 C ATOM 4 O MET A 1 69.741 -22.201 -15.182 1.00 1.00 O ATOM 5 CB MET A 1 71.998 -19.600 -15.585 1.00 1.00 C ATOM 6 CG MET A 1 73.475 -19.249 -15.771 1.00 1.00 C ATOM 7 SD MET A 1 74.288 -19.181 -14.156 1.00 1.00 S ATOM 8 CE MET A 1 75.977 -19.469 -14.739 1.00 1.00 C ATOM 0 H1 MET A 1 72.899 -22.493 -16.399 1.00 1.00 H new ATOM 0 H2 MET A 1 71.222 -22.485 -16.665 1.00 1.00 H new ATOM 0 H3 MET A 1 72.189 -21.248 -17.310 1.00 1.00 H new ATOM 0 HA MET A 1 72.619 -21.369 -14.524 1.00 1.00 H new ATOM 0 HB2 MET A 1 71.440 -19.364 -16.491 1.00 1.00 H new ATOM 0 HB3 MET A 1 71.569 -19.001 -14.782 1.00 1.00 H new ATOM 0 HG2 MET A 1 73.960 -19.993 -16.403 1.00 1.00 H new ATOM 0 HG3 MET A 1 73.570 -18.289 -16.279 1.00 1.00 H new ATOM 0 HE1 MET A 1 76.660 -19.467 -13.890 1.00 1.00 H new ATOM 0 HE2 MET A 1 76.028 -20.434 -15.244 1.00 1.00 H new ATOM 0 HE3 MET A 1 76.261 -18.680 -15.435 1.00 1.00 H new ATOM 17 N ASN A 2 70.095 -20.663 -13.654 1.00 1.00 N ATOM 18 CA ASN A 2 68.749 -20.884 -13.054 1.00 1.00 C ATOM 19 C ASN A 2 68.376 -19.682 -12.183 1.00 1.00 C ATOM 20 O ASN A 2 68.192 -18.585 -12.671 1.00 1.00 O ATOM 21 CB ASN A 2 68.777 -22.150 -12.193 1.00 1.00 C ATOM 22 CG ASN A 2 69.948 -22.075 -11.212 1.00 1.00 C ATOM 23 OD1 ASN A 2 69.793 -21.619 -10.096 1.00 1.00 O ATOM 24 ND2 ASN A 2 71.123 -22.506 -11.583 1.00 1.00 N ATOM 0 H ASN A 2 70.662 -19.948 -13.198 1.00 1.00 H new ATOM 0 HA ASN A 2 68.011 -21.000 -13.848 1.00 1.00 H new ATOM 0 HB2 ASN A 2 67.839 -22.253 -11.648 1.00 1.00 H new ATOM 0 HB3 ASN A 2 68.876 -23.031 -12.827 1.00 1.00 H new ATOM 0 HD21 ASN A 2 71.911 -22.460 -10.936 1.00 1.00 H new ATOM 0 HD22 ASN A 2 71.254 -22.889 -12.519 1.00 1.00 H new ATOM 31 N LEU A 3 68.264 -19.880 -10.898 1.00 1.00 N ATOM 32 CA LEU A 3 67.905 -18.750 -9.995 1.00 1.00 C ATOM 33 C LEU A 3 66.433 -18.377 -10.206 1.00 1.00 C ATOM 34 O LEU A 3 66.103 -17.542 -11.023 1.00 1.00 O ATOM 35 CB LEU A 3 68.802 -17.543 -10.307 1.00 1.00 C ATOM 36 CG LEU A 3 69.039 -16.738 -9.028 1.00 1.00 C ATOM 37 CD1 LEU A 3 69.978 -15.567 -9.328 1.00 1.00 C ATOM 38 CD2 LEU A 3 67.704 -16.200 -8.511 1.00 1.00 C ATOM 0 H LEU A 3 68.406 -20.777 -10.434 1.00 1.00 H new ATOM 0 HA LEU A 3 68.053 -19.047 -8.957 1.00 1.00 H new ATOM 0 HB2 LEU A 3 69.753 -17.880 -10.718 1.00 1.00 H new ATOM 0 HB3 LEU A 3 68.333 -16.914 -11.063 1.00 1.00 H new ATOM 0 HG LEU A 3 69.490 -17.381 -8.272 1.00 1.00 H new ATOM 0 HD11 LEU A 3 70.147 -14.993 -8.417 1.00 1.00 H new ATOM 0 HD12 LEU A 3 70.929 -15.949 -9.698 1.00 1.00 H new ATOM 0 HD13 LEU A 3 69.527 -14.923 -10.083 1.00 1.00 H new ATOM 0 HD21 LEU A 3 67.871 -15.626 -7.600 1.00 1.00 H new ATOM 0 HD22 LEU A 3 67.254 -15.557 -9.267 1.00 1.00 H new ATOM 0 HD23 LEU A 3 67.034 -17.033 -8.297 1.00 1.00 H new ATOM 50 N GLU A 4 65.547 -18.993 -9.471 1.00 1.00 N ATOM 51 CA GLU A 4 64.098 -18.678 -9.625 1.00 1.00 C ATOM 52 C GLU A 4 63.767 -17.419 -8.815 1.00 1.00 C ATOM 53 O GLU A 4 64.478 -17.061 -7.898 1.00 1.00 O ATOM 54 CB GLU A 4 63.259 -19.861 -9.115 1.00 1.00 C ATOM 55 CG GLU A 4 64.105 -20.716 -8.169 1.00 1.00 C ATOM 56 CD GLU A 4 64.702 -19.829 -7.075 1.00 1.00 C ATOM 57 OE1 GLU A 4 63.988 -18.975 -6.576 1.00 1.00 O ATOM 58 OE2 GLU A 4 65.864 -20.018 -6.755 1.00 1.00 O ATOM 0 H GLU A 4 65.764 -19.701 -8.770 1.00 1.00 H new ATOM 0 HA GLU A 4 63.868 -18.504 -10.676 1.00 1.00 H new ATOM 0 HB2 GLU A 4 62.372 -19.495 -8.597 1.00 1.00 H new ATOM 0 HB3 GLU A 4 62.912 -20.463 -9.955 1.00 1.00 H new ATOM 0 HG2 GLU A 4 63.492 -21.499 -7.723 1.00 1.00 H new ATOM 0 HG3 GLU A 4 64.901 -21.212 -8.724 1.00 1.00 H new ATOM 65 N PRO A 5 62.692 -16.753 -9.152 1.00 1.00 N ATOM 66 CA PRO A 5 62.258 -15.517 -8.447 1.00 1.00 C ATOM 67 C PRO A 5 62.511 -15.596 -6.931 1.00 1.00 C ATOM 68 O PRO A 5 62.114 -16.546 -6.287 1.00 1.00 O ATOM 69 CB PRO A 5 60.760 -15.463 -8.743 1.00 1.00 C ATOM 70 CG PRO A 5 60.606 -16.112 -10.080 1.00 1.00 C ATOM 71 CD PRO A 5 61.765 -17.104 -10.240 1.00 1.00 C ATOM 0 HA PRO A 5 62.805 -14.634 -8.778 1.00 1.00 H new ATOM 0 HB2 PRO A 5 60.188 -15.991 -7.980 1.00 1.00 H new ATOM 0 HB3 PRO A 5 60.398 -14.435 -8.759 1.00 1.00 H new ATOM 0 HG2 PRO A 5 59.647 -16.626 -10.150 1.00 1.00 H new ATOM 0 HG3 PRO A 5 60.626 -15.366 -10.874 1.00 1.00 H new ATOM 0 HD2 PRO A 5 61.422 -18.135 -10.154 1.00 1.00 H new ATOM 0 HD3 PRO A 5 62.241 -17.007 -11.216 1.00 1.00 H new ATOM 79 N PRO A 6 63.168 -14.612 -6.364 1.00 1.00 N ATOM 80 CA PRO A 6 63.470 -14.590 -4.903 1.00 1.00 C ATOM 81 C PRO A 6 62.252 -14.190 -4.062 1.00 1.00 C ATOM 82 O PRO A 6 61.374 -13.485 -4.518 1.00 1.00 O ATOM 83 CB PRO A 6 64.573 -13.537 -4.784 1.00 1.00 C ATOM 84 CG PRO A 6 64.326 -12.595 -5.917 1.00 1.00 C ATOM 85 CD PRO A 6 63.693 -13.417 -7.045 1.00 1.00 C ATOM 0 HA PRO A 6 63.760 -15.573 -4.532 1.00 1.00 H new ATOM 0 HB2 PRO A 6 64.526 -13.022 -3.824 1.00 1.00 H new ATOM 0 HB3 PRO A 6 65.562 -13.990 -4.855 1.00 1.00 H new ATOM 0 HG2 PRO A 6 63.664 -11.786 -5.610 1.00 1.00 H new ATOM 0 HG3 PRO A 6 65.257 -12.136 -6.249 1.00 1.00 H new ATOM 0 HD2 PRO A 6 62.900 -12.862 -7.546 1.00 1.00 H new ATOM 0 HD3 PRO A 6 64.427 -13.682 -7.806 1.00 1.00 H new ATOM 93 N LYS A 7 62.196 -14.634 -2.836 1.00 1.00 N ATOM 94 CA LYS A 7 61.041 -14.280 -1.963 1.00 1.00 C ATOM 95 C LYS A 7 61.308 -12.928 -1.298 1.00 1.00 C ATOM 96 O LYS A 7 62.402 -12.403 -1.361 1.00 1.00 O ATOM 97 CB LYS A 7 60.868 -15.354 -0.885 1.00 1.00 C ATOM 98 CG LYS A 7 60.728 -16.726 -1.548 1.00 1.00 C ATOM 99 CD LYS A 7 60.922 -17.822 -0.499 1.00 1.00 C ATOM 100 CE LYS A 7 60.939 -19.189 -1.186 1.00 1.00 C ATOM 101 NZ LYS A 7 61.450 -20.217 -0.235 1.00 1.00 N ATOM 0 H LYS A 7 62.902 -15.228 -2.401 1.00 1.00 H new ATOM 0 HA LYS A 7 60.133 -14.220 -2.563 1.00 1.00 H new ATOM 0 HB2 LYS A 7 61.725 -15.350 -0.212 1.00 1.00 H new ATOM 0 HB3 LYS A 7 59.987 -15.139 -0.281 1.00 1.00 H new ATOM 0 HG2 LYS A 7 59.745 -16.820 -2.010 1.00 1.00 H new ATOM 0 HG3 LYS A 7 61.466 -16.834 -2.343 1.00 1.00 H new ATOM 0 HD2 LYS A 7 61.856 -17.663 0.040 1.00 1.00 H new ATOM 0 HD3 LYS A 7 60.118 -17.783 0.236 1.00 1.00 H new ATOM 0 HE2 LYS A 7 59.935 -19.453 -1.519 1.00 1.00 H new ATOM 0 HE3 LYS A 7 61.570 -19.154 -2.074 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 61.462 -21.146 -0.702 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 62.415 -19.966 0.062 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 60.831 -20.256 0.599 1.00 1.00 H new ATOM 115 N ALA A 8 60.321 -12.357 -0.662 1.00 1.00 N ATOM 116 CA ALA A 8 60.533 -11.039 0.001 1.00 1.00 C ATOM 117 C ALA A 8 59.342 -10.713 0.905 1.00 1.00 C ATOM 118 O ALA A 8 58.988 -9.566 1.089 1.00 1.00 O ATOM 119 CB ALA A 8 60.675 -9.951 -1.066 1.00 1.00 C ATOM 0 H ALA A 8 59.381 -12.744 -0.573 1.00 1.00 H new ATOM 0 HA ALA A 8 61.439 -11.082 0.605 1.00 1.00 H new ATOM 0 HB1 ALA A 8 60.830 -8.986 -0.583 1.00 1.00 H new ATOM 0 HB2 ALA A 8 61.528 -10.178 -1.706 1.00 1.00 H new ATOM 0 HB3 ALA A 8 59.768 -9.913 -1.670 1.00 1.00 H new ATOM 125 N GLU A 9 58.723 -11.710 1.475 1.00 1.00 N ATOM 126 CA GLU A 9 57.560 -11.446 2.370 1.00 1.00 C ATOM 127 C GLU A 9 57.981 -10.459 3.461 1.00 1.00 C ATOM 128 O GLU A 9 57.853 -9.260 3.310 1.00 1.00 O ATOM 129 CB GLU A 9 57.103 -12.758 3.014 1.00 1.00 C ATOM 130 CG GLU A 9 56.309 -13.578 1.995 1.00 1.00 C ATOM 131 CD GLU A 9 54.916 -12.969 1.824 1.00 1.00 C ATOM 132 OE1 GLU A 9 54.371 -12.498 2.809 1.00 1.00 O ATOM 133 OE2 GLU A 9 54.417 -12.983 0.711 1.00 1.00 O ATOM 0 H GLU A 9 58.971 -12.693 1.361 1.00 1.00 H new ATOM 0 HA GLU A 9 56.739 -11.024 1.791 1.00 1.00 H new ATOM 0 HB2 GLU A 9 57.967 -13.326 3.360 1.00 1.00 H new ATOM 0 HB3 GLU A 9 56.487 -12.551 3.889 1.00 1.00 H new ATOM 0 HG2 GLU A 9 56.831 -13.593 1.038 1.00 1.00 H new ATOM 0 HG3 GLU A 9 56.227 -14.612 2.329 1.00 1.00 H new ATOM 140 N CYS A 10 58.489 -10.955 4.556 1.00 1.00 N ATOM 141 CA CYS A 10 58.926 -10.048 5.654 1.00 1.00 C ATOM 142 C CYS A 10 59.930 -10.780 6.546 1.00 1.00 C ATOM 143 O CYS A 10 60.589 -11.708 6.123 1.00 1.00 O ATOM 144 CB CYS A 10 57.714 -9.627 6.488 1.00 1.00 C ATOM 145 SG CYS A 10 56.945 -11.093 7.220 1.00 1.00 S ATOM 0 H CYS A 10 58.620 -11.950 4.737 1.00 1.00 H new ATOM 0 HA CYS A 10 59.394 -9.161 5.227 1.00 1.00 H new ATOM 0 HB2 CYS A 10 58.022 -8.935 7.272 1.00 1.00 H new ATOM 0 HB3 CYS A 10 56.994 -9.100 5.862 1.00 1.00 H new ATOM 150 N ARG A 11 60.052 -10.371 7.779 1.00 1.00 N ATOM 151 CA ARG A 11 61.013 -11.047 8.696 1.00 1.00 C ATOM 152 C ARG A 11 60.805 -10.522 10.119 1.00 1.00 C ATOM 153 O ARG A 11 60.774 -11.275 11.072 1.00 1.00 O ATOM 154 CB ARG A 11 62.449 -10.748 8.238 1.00 1.00 C ATOM 155 CG ARG A 11 63.337 -11.965 8.504 1.00 1.00 C ATOM 156 CD ARG A 11 63.244 -12.933 7.323 1.00 1.00 C ATOM 157 NE ARG A 11 63.683 -12.243 6.079 1.00 1.00 N ATOM 158 CZ ARG A 11 63.926 -12.935 4.999 1.00 1.00 C ATOM 159 NH1 ARG A 11 63.785 -14.232 5.010 1.00 1.00 N ATOM 160 NH2 ARG A 11 64.311 -12.330 3.909 1.00 1.00 N ATOM 0 H ARG A 11 59.528 -9.599 8.191 1.00 1.00 H new ATOM 0 HA ARG A 11 60.846 -12.124 8.678 1.00 1.00 H new ATOM 0 HB2 ARG A 11 62.459 -10.503 7.176 1.00 1.00 H new ATOM 0 HB3 ARG A 11 62.837 -9.879 8.769 1.00 1.00 H new ATOM 0 HG2 ARG A 11 64.370 -11.650 8.649 1.00 1.00 H new ATOM 0 HG3 ARG A 11 63.024 -12.463 9.422 1.00 1.00 H new ATOM 0 HD2 ARG A 11 63.868 -13.808 7.506 1.00 1.00 H new ATOM 0 HD3 ARG A 11 62.220 -13.290 7.211 1.00 1.00 H new ATOM 0 HE ARG A 11 63.794 -11.229 6.070 1.00 1.00 H new ATOM 0 HH11 ARG A 11 63.485 -14.705 5.862 1.00 1.00 H new ATOM 0 HH12 ARG A 11 63.975 -14.773 4.166 1.00 1.00 H new ATOM 0 HH21 ARG A 11 64.422 -11.316 3.901 1.00 1.00 H new ATOM 0 HH22 ARG A 11 64.501 -12.871 3.065 1.00 1.00 H new ATOM 174 N SER A 12 60.661 -9.234 10.265 1.00 1.00 N ATOM 175 CA SER A 12 60.454 -8.653 11.621 1.00 1.00 C ATOM 176 C SER A 12 60.102 -7.171 11.484 1.00 1.00 C ATOM 177 O SER A 12 59.755 -6.703 10.418 1.00 1.00 O ATOM 178 CB SER A 12 61.734 -8.801 12.443 1.00 1.00 C ATOM 179 OG SER A 12 61.448 -8.532 13.808 1.00 1.00 O ATOM 0 H SER A 12 60.678 -8.557 9.502 1.00 1.00 H new ATOM 0 HA SER A 12 59.642 -9.178 12.124 1.00 1.00 H new ATOM 0 HB2 SER A 12 62.135 -9.809 12.335 1.00 1.00 H new ATOM 0 HB3 SER A 12 62.497 -8.114 12.077 1.00 1.00 H new ATOM 0 HG SER A 12 62.014 -7.796 14.122 1.00 1.00 H new ATOM 185 N ALA A 13 60.188 -6.429 12.553 1.00 1.00 N ATOM 186 CA ALA A 13 59.857 -4.978 12.479 1.00 1.00 C ATOM 187 C ALA A 13 58.386 -4.811 12.089 1.00 1.00 C ATOM 188 O ALA A 13 57.933 -5.348 11.098 1.00 1.00 O ATOM 189 CB ALA A 13 60.748 -4.305 11.429 1.00 1.00 C ATOM 0 H ALA A 13 60.473 -6.764 13.473 1.00 1.00 H new ATOM 0 HA ALA A 13 60.029 -4.514 13.450 1.00 1.00 H new ATOM 0 HB1 ALA A 13 60.507 -3.243 11.374 1.00 1.00 H new ATOM 0 HB2 ALA A 13 61.795 -4.425 11.709 1.00 1.00 H new ATOM 0 HB3 ALA A 13 60.577 -4.767 10.457 1.00 1.00 H new ATOM 195 N THR A 14 57.637 -4.071 12.863 1.00 1.00 N ATOM 196 CA THR A 14 56.194 -3.867 12.542 1.00 1.00 C ATOM 197 C THR A 14 55.831 -2.395 12.746 1.00 1.00 C ATOM 198 O THR A 14 54.735 -1.968 12.440 1.00 1.00 O ATOM 199 CB THR A 14 55.338 -4.736 13.468 1.00 1.00 C ATOM 200 OG1 THR A 14 55.133 -4.055 14.697 1.00 1.00 O ATOM 201 CG2 THR A 14 56.052 -6.063 13.730 1.00 1.00 C ATOM 0 H THR A 14 57.963 -3.598 13.706 1.00 1.00 H new ATOM 0 HA THR A 14 56.008 -4.148 11.505 1.00 1.00 H new ATOM 0 HB THR A 14 54.375 -4.932 12.996 1.00 1.00 H new ATOM 0 HG1 THR A 14 54.584 -4.609 15.290 1.00 1.00 H new ATOM 0 HG21 THR A 14 55.442 -6.681 14.389 1.00 1.00 H new ATOM 0 HG22 THR A 14 56.208 -6.585 12.786 1.00 1.00 H new ATOM 0 HG23 THR A 14 57.015 -5.871 14.202 1.00 1.00 H new ATOM 209 N ARG A 15 56.743 -1.615 13.258 1.00 1.00 N ATOM 210 CA ARG A 15 56.447 -0.171 13.479 1.00 1.00 C ATOM 211 C ARG A 15 57.753 0.580 13.738 1.00 1.00 C ATOM 212 O ARG A 15 58.241 0.633 14.850 1.00 1.00 O ATOM 213 CB ARG A 15 55.513 -0.020 14.684 1.00 1.00 C ATOM 214 CG ARG A 15 55.351 1.462 15.026 1.00 1.00 C ATOM 215 CD ARG A 15 54.890 2.226 13.784 1.00 1.00 C ATOM 216 NE ARG A 15 53.929 1.387 13.013 1.00 1.00 N ATOM 217 CZ ARG A 15 52.725 1.184 13.473 1.00 1.00 C ATOM 218 NH1 ARG A 15 52.362 1.717 14.608 1.00 1.00 N ATOM 219 NH2 ARG A 15 51.884 0.450 12.798 1.00 1.00 N ATOM 0 H ARG A 15 57.679 -1.914 13.532 1.00 1.00 H new ATOM 0 HA ARG A 15 55.962 0.244 12.595 1.00 1.00 H new ATOM 0 HB2 ARG A 15 54.541 -0.460 14.461 1.00 1.00 H new ATOM 0 HB3 ARG A 15 55.918 -0.559 15.540 1.00 1.00 H new ATOM 0 HG2 ARG A 15 54.625 1.583 15.830 1.00 1.00 H new ATOM 0 HG3 ARG A 15 56.296 1.868 15.386 1.00 1.00 H new ATOM 0 HD2 ARG A 15 54.418 3.164 14.075 1.00 1.00 H new ATOM 0 HD3 ARG A 15 55.748 2.481 13.161 1.00 1.00 H new ATOM 0 HE ARG A 15 54.213 0.972 12.126 1.00 1.00 H new ATOM 0 HH11 ARG A 15 53.019 2.292 15.135 1.00 1.00 H new ATOM 0 HH12 ARG A 15 51.421 1.559 14.968 1.00 1.00 H new ATOM 0 HH21 ARG A 15 52.168 0.035 11.911 1.00 1.00 H new ATOM 0 HH22 ARG A 15 50.943 0.291 13.158 1.00 1.00 H new ATOM 233 N VAL A 16 58.320 1.163 12.719 1.00 1.00 N ATOM 234 CA VAL A 16 59.594 1.913 12.900 1.00 1.00 C ATOM 235 C VAL A 16 59.718 2.972 11.801 1.00 1.00 C ATOM 236 O VAL A 16 60.625 3.780 11.805 1.00 1.00 O ATOM 237 CB VAL A 16 60.773 0.939 12.808 1.00 1.00 C ATOM 238 CG1 VAL A 16 60.943 0.214 14.144 1.00 1.00 C ATOM 239 CG2 VAL A 16 60.501 -0.086 11.705 1.00 1.00 C ATOM 0 H VAL A 16 57.955 1.152 11.767 1.00 1.00 H new ATOM 0 HA VAL A 16 59.599 2.399 13.876 1.00 1.00 H new ATOM 0 HB VAL A 16 61.683 1.492 12.577 1.00 1.00 H new ATOM 0 HG11 VAL A 16 61.782 -0.479 14.078 1.00 1.00 H new ATOM 0 HG12 VAL A 16 61.135 0.943 14.931 1.00 1.00 H new ATOM 0 HG13 VAL A 16 60.033 -0.339 14.376 1.00 1.00 H new ATOM 0 HG21 VAL A 16 61.339 -0.780 11.638 1.00 1.00 H new ATOM 0 HG22 VAL A 16 59.591 -0.638 11.938 1.00 1.00 H new ATOM 0 HG23 VAL A 16 60.379 0.429 10.752 1.00 1.00 H new ATOM 249 N MET A 17 58.813 2.974 10.859 1.00 1.00 N ATOM 250 CA MET A 17 58.877 3.980 9.759 1.00 1.00 C ATOM 251 C MET A 17 57.981 5.172 10.103 1.00 1.00 C ATOM 252 O MET A 17 57.653 5.403 11.250 1.00 1.00 O ATOM 253 CB MET A 17 58.393 3.339 8.456 1.00 1.00 C ATOM 254 CG MET A 17 59.356 2.223 8.048 1.00 1.00 C ATOM 255 SD MET A 17 60.935 2.945 7.536 1.00 1.00 S ATOM 256 CE MET A 17 61.996 1.586 8.087 1.00 1.00 C ATOM 0 H MET A 17 58.031 2.321 10.804 1.00 1.00 H new ATOM 0 HA MET A 17 59.905 4.322 9.638 1.00 1.00 H new ATOM 0 HB2 MET A 17 57.388 2.937 8.587 1.00 1.00 H new ATOM 0 HB3 MET A 17 58.335 4.090 7.668 1.00 1.00 H new ATOM 0 HG2 MET A 17 59.510 1.538 8.882 1.00 1.00 H new ATOM 0 HG3 MET A 17 58.929 1.640 7.232 1.00 1.00 H new ATOM 0 HE1 MET A 17 63.036 1.824 7.865 1.00 1.00 H new ATOM 0 HE2 MET A 17 61.877 1.444 9.161 1.00 1.00 H new ATOM 0 HE3 MET A 17 61.714 0.670 7.567 1.00 1.00 H new ATOM 266 N GLY A 18 57.583 5.931 9.118 1.00 1.00 N ATOM 267 CA GLY A 18 56.708 7.109 9.386 1.00 1.00 C ATOM 268 C GLY A 18 55.805 7.359 8.177 1.00 1.00 C ATOM 269 O GLY A 18 55.960 6.748 7.138 1.00 1.00 O ATOM 0 H GLY A 18 57.826 5.786 8.138 1.00 1.00 H new ATOM 0 HA2 GLY A 18 56.103 6.931 10.275 1.00 1.00 H new ATOM 0 HA3 GLY A 18 57.318 7.990 9.587 1.00 1.00 H new ATOM 273 N GLY A 19 54.860 8.253 8.303 1.00 1.00 N ATOM 274 CA GLY A 19 53.943 8.542 7.161 1.00 1.00 C ATOM 275 C GLY A 19 54.452 9.762 6.388 1.00 1.00 C ATOM 276 O GLY A 19 54.853 9.659 5.246 1.00 1.00 O ATOM 0 H GLY A 19 54.683 8.796 9.148 1.00 1.00 H new ATOM 0 HA2 GLY A 19 53.886 7.678 6.499 1.00 1.00 H new ATOM 0 HA3 GLY A 19 52.934 8.728 7.530 1.00 1.00 H new ATOM 280 N PRO A 20 54.433 10.910 7.012 1.00 1.00 N ATOM 281 CA PRO A 20 54.896 12.179 6.383 1.00 1.00 C ATOM 282 C PRO A 20 56.188 11.995 5.577 1.00 1.00 C ATOM 283 O PRO A 20 57.276 12.214 6.071 1.00 1.00 O ATOM 284 CB PRO A 20 55.128 13.101 7.582 1.00 1.00 C ATOM 285 CG PRO A 20 54.172 12.626 8.626 1.00 1.00 C ATOM 286 CD PRO A 20 53.967 11.126 8.392 1.00 1.00 C ATOM 0 HA PRO A 20 54.175 12.569 5.665 1.00 1.00 H new ATOM 0 HB2 PRO A 20 56.158 13.040 7.933 1.00 1.00 H new ATOM 0 HB3 PRO A 20 54.941 14.143 7.321 1.00 1.00 H new ATOM 0 HG2 PRO A 20 54.568 12.810 9.625 1.00 1.00 H new ATOM 0 HG3 PRO A 20 53.225 13.161 8.555 1.00 1.00 H new ATOM 0 HD2 PRO A 20 54.539 10.530 9.103 1.00 1.00 H new ATOM 0 HD3 PRO A 20 52.921 10.844 8.508 1.00 1.00 H new ATOM 294 N CYS A 21 56.071 11.594 4.339 1.00 1.00 N ATOM 295 CA CYS A 21 57.285 11.394 3.495 1.00 1.00 C ATOM 296 C CYS A 21 57.027 11.953 2.093 1.00 1.00 C ATOM 297 O CYS A 21 56.201 11.449 1.357 1.00 1.00 O ATOM 298 CB CYS A 21 57.597 9.899 3.401 1.00 1.00 C ATOM 299 SG CYS A 21 58.777 9.612 2.059 1.00 1.00 S ATOM 0 H CYS A 21 55.185 11.396 3.875 1.00 1.00 H new ATOM 0 HA CYS A 21 58.132 11.914 3.943 1.00 1.00 H new ATOM 0 HB2 CYS A 21 58.010 9.543 4.345 1.00 1.00 H new ATOM 0 HB3 CYS A 21 56.681 9.336 3.221 1.00 1.00 H new ATOM 304 N THR A 22 57.726 12.991 1.717 1.00 1.00 N ATOM 305 CA THR A 22 57.520 13.582 0.362 1.00 1.00 C ATOM 306 C THR A 22 58.867 14.055 -0.203 1.00 1.00 C ATOM 307 O THR A 22 59.323 15.139 0.102 1.00 1.00 O ATOM 308 CB THR A 22 56.576 14.782 0.475 1.00 1.00 C ATOM 309 OG1 THR A 22 55.341 14.359 1.034 1.00 1.00 O ATOM 310 CG2 THR A 22 56.334 15.376 -0.914 1.00 1.00 C ATOM 0 H THR A 22 58.431 13.455 2.290 1.00 1.00 H new ATOM 0 HA THR A 22 57.090 12.831 -0.300 1.00 1.00 H new ATOM 0 HB THR A 22 57.025 15.539 1.117 1.00 1.00 H new ATOM 0 HG1 THR A 22 54.736 15.126 1.109 1.00 1.00 H new ATOM 0 HG21 THR A 22 55.662 16.230 -0.832 1.00 1.00 H new ATOM 0 HG22 THR A 22 57.283 15.700 -1.341 1.00 1.00 H new ATOM 0 HG23 THR A 22 55.885 14.621 -1.559 1.00 1.00 H new ATOM 318 N PRO A 23 59.496 13.254 -1.027 1.00 1.00 N ATOM 319 CA PRO A 23 60.808 13.611 -1.647 1.00 1.00 C ATOM 320 C PRO A 23 60.752 14.955 -2.382 1.00 1.00 C ATOM 321 O PRO A 23 59.700 15.408 -2.786 1.00 1.00 O ATOM 322 CB PRO A 23 61.077 12.470 -2.636 1.00 1.00 C ATOM 323 CG PRO A 23 60.254 11.322 -2.151 1.00 1.00 C ATOM 324 CD PRO A 23 59.032 11.925 -1.454 1.00 1.00 C ATOM 0 HA PRO A 23 61.590 13.723 -0.896 1.00 1.00 H new ATOM 0 HB2 PRO A 23 60.796 12.754 -3.650 1.00 1.00 H new ATOM 0 HB3 PRO A 23 62.136 12.212 -2.660 1.00 1.00 H new ATOM 0 HG2 PRO A 23 59.951 10.684 -2.981 1.00 1.00 H new ATOM 0 HG3 PRO A 23 60.825 10.699 -1.462 1.00 1.00 H new ATOM 0 HD2 PRO A 23 58.180 11.996 -2.130 1.00 1.00 H new ATOM 0 HD3 PRO A 23 58.716 11.319 -0.605 1.00 1.00 H new ATOM 332 N ARG A 24 61.877 15.594 -2.561 1.00 1.00 N ATOM 333 CA ARG A 24 61.886 16.904 -3.272 1.00 1.00 C ATOM 334 C ARG A 24 63.324 17.426 -3.356 1.00 1.00 C ATOM 335 O ARG A 24 63.866 17.935 -2.395 1.00 1.00 O ATOM 336 CB ARG A 24 61.009 17.909 -2.506 1.00 1.00 C ATOM 337 CG ARG A 24 59.863 18.378 -3.405 1.00 1.00 C ATOM 338 CD ARG A 24 59.060 19.462 -2.685 1.00 1.00 C ATOM 339 NE ARG A 24 57.694 19.543 -3.276 1.00 1.00 N ATOM 340 CZ ARG A 24 57.530 20.024 -4.478 1.00 1.00 C ATOM 341 NH1 ARG A 24 58.563 20.435 -5.162 1.00 1.00 N ATOM 342 NH2 ARG A 24 56.334 20.095 -4.995 1.00 1.00 N ATOM 0 H ARG A 24 62.790 15.265 -2.246 1.00 1.00 H new ATOM 0 HA ARG A 24 61.489 16.778 -4.279 1.00 1.00 H new ATOM 0 HB2 ARG A 24 60.611 17.446 -1.603 1.00 1.00 H new ATOM 0 HB3 ARG A 24 61.608 18.762 -2.188 1.00 1.00 H new ATOM 0 HG2 ARG A 24 60.259 18.767 -4.343 1.00 1.00 H new ATOM 0 HG3 ARG A 24 59.216 17.537 -3.656 1.00 1.00 H new ATOM 0 HD2 ARG A 24 58.995 19.235 -1.621 1.00 1.00 H new ATOM 0 HD3 ARG A 24 59.565 20.424 -2.775 1.00 1.00 H new ATOM 0 HE ARG A 24 56.887 19.222 -2.741 1.00 1.00 H new ATOM 0 HH11 ARG A 24 59.498 20.380 -4.757 1.00 1.00 H new ATOM 0 HH12 ARG A 24 58.436 20.811 -6.102 1.00 1.00 H new ATOM 0 HH21 ARG A 24 55.527 19.775 -4.460 1.00 1.00 H new ATOM 0 HH22 ARG A 24 56.206 20.471 -5.934 1.00 1.00 H new ATOM 356 N LYS A 25 63.943 17.302 -4.501 1.00 1.00 N ATOM 357 CA LYS A 25 65.346 17.790 -4.657 1.00 1.00 C ATOM 358 C LYS A 25 65.467 18.573 -5.968 1.00 1.00 C ATOM 359 O LYS A 25 65.580 19.782 -5.971 1.00 1.00 O ATOM 360 CB LYS A 25 66.309 16.593 -4.678 1.00 1.00 C ATOM 361 CG LYS A 25 65.602 15.373 -5.272 1.00 1.00 C ATOM 362 CD LYS A 25 64.972 14.550 -4.147 1.00 1.00 C ATOM 363 CE LYS A 25 66.005 13.568 -3.591 1.00 1.00 C ATOM 364 NZ LYS A 25 65.457 12.906 -2.374 1.00 1.00 N ATOM 0 H LYS A 25 63.536 16.883 -5.337 1.00 1.00 H new ATOM 0 HA LYS A 25 65.601 18.440 -3.820 1.00 1.00 H new ATOM 0 HB2 LYS A 25 67.193 16.836 -5.267 1.00 1.00 H new ATOM 0 HB3 LYS A 25 66.651 16.371 -3.667 1.00 1.00 H new ATOM 0 HG2 LYS A 25 64.835 15.692 -5.977 1.00 1.00 H new ATOM 0 HG3 LYS A 25 66.313 14.763 -5.829 1.00 1.00 H new ATOM 0 HD2 LYS A 25 64.618 15.209 -3.354 1.00 1.00 H new ATOM 0 HD3 LYS A 25 64.104 14.007 -4.521 1.00 1.00 H new ATOM 0 HE2 LYS A 25 66.254 12.820 -4.344 1.00 1.00 H new ATOM 0 HE3 LYS A 25 66.928 14.094 -3.347 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 66.159 12.238 -1.996 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 65.241 13.626 -1.655 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 64.588 12.391 -2.621 1.00 1.00 H new ATOM 378 N GLY A 26 65.446 17.893 -7.082 1.00 1.00 N ATOM 379 CA GLY A 26 65.561 18.599 -8.390 1.00 1.00 C ATOM 380 C GLY A 26 66.014 17.610 -9.465 1.00 1.00 C ATOM 381 O GLY A 26 66.178 16.434 -9.207 1.00 1.00 O ATOM 0 H GLY A 26 65.354 16.879 -7.143 1.00 1.00 H new ATOM 0 HA2 GLY A 26 64.601 19.037 -8.665 1.00 1.00 H new ATOM 0 HA3 GLY A 26 66.275 19.419 -8.311 1.00 1.00 H new ATOM 385 N PRO A 27 66.216 18.087 -10.663 1.00 1.00 N ATOM 386 CA PRO A 27 66.660 17.237 -11.805 1.00 1.00 C ATOM 387 C PRO A 27 67.814 16.301 -11.408 1.00 1.00 C ATOM 388 O PRO A 27 68.799 16.738 -10.847 1.00 1.00 O ATOM 389 CB PRO A 27 67.128 18.257 -12.846 1.00 1.00 C ATOM 390 CG PRO A 27 66.338 19.492 -12.565 1.00 1.00 C ATOM 391 CD PRO A 27 66.042 19.493 -11.063 1.00 1.00 C ATOM 0 HA PRO A 27 65.867 16.581 -12.164 1.00 1.00 H new ATOM 0 HB2 PRO A 27 68.198 18.446 -12.759 1.00 1.00 H new ATOM 0 HB3 PRO A 27 66.949 17.897 -13.859 1.00 1.00 H new ATOM 0 HG2 PRO A 27 66.898 20.383 -12.850 1.00 1.00 H new ATOM 0 HG3 PRO A 27 65.413 19.499 -13.142 1.00 1.00 H new ATOM 0 HD2 PRO A 27 66.724 20.149 -10.522 1.00 1.00 H new ATOM 0 HD3 PRO A 27 65.031 19.844 -10.856 1.00 1.00 H new ATOM 399 N PRO A 28 67.700 15.024 -11.690 1.00 1.00 N ATOM 400 CA PRO A 28 68.761 14.036 -11.344 1.00 1.00 C ATOM 401 C PRO A 28 70.168 14.569 -11.635 1.00 1.00 C ATOM 402 O PRO A 28 70.451 15.042 -12.718 1.00 1.00 O ATOM 403 CB PRO A 28 68.439 12.842 -12.243 1.00 1.00 C ATOM 404 CG PRO A 28 66.961 12.906 -12.455 1.00 1.00 C ATOM 405 CD PRO A 28 66.560 14.383 -12.365 1.00 1.00 C ATOM 0 HA PRO A 28 68.766 13.794 -10.281 1.00 1.00 H new ATOM 0 HB2 PRO A 28 68.977 12.904 -13.189 1.00 1.00 H new ATOM 0 HB3 PRO A 28 68.730 11.903 -11.772 1.00 1.00 H new ATOM 0 HG2 PRO A 28 66.692 12.492 -13.427 1.00 1.00 H new ATOM 0 HG3 PRO A 28 66.437 12.317 -11.702 1.00 1.00 H new ATOM 0 HD2 PRO A 28 66.390 14.811 -13.353 1.00 1.00 H new ATOM 0 HD3 PRO A 28 65.638 14.512 -11.799 1.00 1.00 H new ATOM 413 N LYS A 29 71.051 14.489 -10.675 1.00 1.00 N ATOM 414 CA LYS A 29 72.442 14.985 -10.886 1.00 1.00 C ATOM 415 C LYS A 29 73.420 14.052 -10.163 1.00 1.00 C ATOM 416 O LYS A 29 73.095 12.926 -9.844 1.00 1.00 O ATOM 417 CB LYS A 29 72.568 16.407 -10.317 1.00 1.00 C ATOM 418 CG LYS A 29 72.053 17.417 -11.344 1.00 1.00 C ATOM 419 CD LYS A 29 73.158 17.722 -12.359 1.00 1.00 C ATOM 420 CE LYS A 29 73.929 18.966 -11.915 1.00 1.00 C ATOM 421 NZ LYS A 29 74.617 18.690 -10.622 1.00 1.00 N ATOM 0 H LYS A 29 70.868 14.100 -9.750 1.00 1.00 H new ATOM 0 HA LYS A 29 72.672 15.002 -11.951 1.00 1.00 H new ATOM 0 HB2 LYS A 29 71.998 16.491 -9.392 1.00 1.00 H new ATOM 0 HB3 LYS A 29 73.608 16.621 -10.072 1.00 1.00 H new ATOM 0 HG2 LYS A 29 71.176 17.018 -11.854 1.00 1.00 H new ATOM 0 HG3 LYS A 29 71.741 18.334 -10.844 1.00 1.00 H new ATOM 0 HD2 LYS A 29 73.835 16.872 -12.442 1.00 1.00 H new ATOM 0 HD3 LYS A 29 72.725 17.882 -13.346 1.00 1.00 H new ATOM 0 HE2 LYS A 29 74.659 19.245 -12.675 1.00 1.00 H new ATOM 0 HE3 LYS A 29 73.247 19.809 -11.803 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 75.285 19.459 -10.413 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 73.912 18.628 -9.860 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 75.135 17.790 -10.689 1.00 1.00 H new ATOM 435 N CYS A 30 74.615 14.510 -9.901 1.00 1.00 N ATOM 436 CA CYS A 30 75.609 13.648 -9.199 1.00 1.00 C ATOM 437 C CYS A 30 75.771 12.330 -9.961 1.00 1.00 C ATOM 438 O CYS A 30 75.482 11.266 -9.451 1.00 1.00 O ATOM 439 CB CYS A 30 75.122 13.363 -7.773 1.00 1.00 C ATOM 440 SG CYS A 30 75.801 14.604 -6.644 1.00 1.00 S ATOM 0 H CYS A 30 74.946 15.444 -10.143 1.00 1.00 H new ATOM 0 HA CYS A 30 76.570 14.161 -9.157 1.00 1.00 H new ATOM 0 HB2 CYS A 30 74.033 13.382 -7.739 1.00 1.00 H new ATOM 0 HB3 CYS A 30 75.433 12.365 -7.464 1.00 1.00 H new ATOM 445 N LYS A 31 76.239 12.388 -11.179 1.00 1.00 N ATOM 446 CA LYS A 31 76.427 11.135 -11.965 1.00 1.00 C ATOM 447 C LYS A 31 77.834 10.595 -11.718 1.00 1.00 C ATOM 448 O LYS A 31 78.066 9.825 -10.807 1.00 1.00 O ATOM 449 CB LYS A 31 76.243 11.426 -13.460 1.00 1.00 C ATOM 450 CG LYS A 31 76.832 12.798 -13.796 1.00 1.00 C ATOM 451 CD LYS A 31 75.705 13.829 -13.888 1.00 1.00 C ATOM 452 CE LYS A 31 76.280 15.176 -14.330 1.00 1.00 C ATOM 453 NZ LYS A 31 75.200 16.000 -14.942 1.00 1.00 N ATOM 0 HA LYS A 31 75.689 10.396 -11.653 1.00 1.00 H new ATOM 0 HB2 LYS A 31 76.733 10.654 -14.053 1.00 1.00 H new ATOM 0 HB3 LYS A 31 75.184 11.401 -13.717 1.00 1.00 H new ATOM 0 HG2 LYS A 31 77.549 13.095 -13.031 1.00 1.00 H new ATOM 0 HG3 LYS A 31 77.374 12.751 -14.740 1.00 1.00 H new ATOM 0 HD2 LYS A 31 74.949 13.494 -14.598 1.00 1.00 H new ATOM 0 HD3 LYS A 31 75.212 13.932 -12.921 1.00 1.00 H new ATOM 0 HE2 LYS A 31 76.710 15.698 -13.475 1.00 1.00 H new ATOM 0 HE3 LYS A 31 77.086 15.022 -15.048 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 75.520 16.986 -15.025 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 74.973 15.629 -15.887 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 74.351 15.961 -14.342 1.00 1.00 H new ATOM 467 N GLN A 32 78.771 10.997 -12.524 1.00 1.00 N ATOM 468 CA GLN A 32 80.172 10.517 -12.349 1.00 1.00 C ATOM 469 C GLN A 32 80.553 10.573 -10.867 1.00 1.00 C ATOM 470 O GLN A 32 79.976 11.316 -10.097 1.00 1.00 O ATOM 471 CB GLN A 32 81.121 11.410 -13.153 1.00 1.00 C ATOM 472 CG GLN A 32 80.498 11.722 -14.515 1.00 1.00 C ATOM 473 CD GLN A 32 81.543 12.385 -15.415 1.00 1.00 C ATOM 474 OE1 GLN A 32 81.848 13.550 -15.254 1.00 1.00 O ATOM 475 NE2 GLN A 32 82.108 11.688 -16.362 1.00 1.00 N ATOM 0 H GLN A 32 78.629 11.641 -13.302 1.00 1.00 H new ATOM 0 HA GLN A 32 80.249 9.489 -12.704 1.00 1.00 H new ATOM 0 HB2 GLN A 32 81.315 12.335 -12.610 1.00 1.00 H new ATOM 0 HB3 GLN A 32 82.081 10.911 -13.286 1.00 1.00 H new ATOM 0 HG2 GLN A 32 80.133 10.805 -14.978 1.00 1.00 H new ATOM 0 HG3 GLN A 32 79.639 12.381 -14.391 1.00 1.00 H new ATOM 0 HE21 GLN A 32 81.852 10.710 -16.497 1.00 1.00 H new ATOM 0 HE22 GLN A 32 82.806 12.121 -16.967 1.00 1.00 H new ATOM 484 N ARG A 33 81.519 9.792 -10.463 1.00 1.00 N ATOM 485 CA ARG A 33 81.941 9.796 -9.031 1.00 1.00 C ATOM 486 C ARG A 33 83.469 9.753 -8.954 1.00 1.00 C ATOM 487 O ARG A 33 84.050 8.795 -8.485 1.00 1.00 O ATOM 488 CB ARG A 33 81.360 8.566 -8.324 1.00 1.00 C ATOM 489 CG ARG A 33 81.482 7.344 -9.236 1.00 1.00 C ATOM 490 CD ARG A 33 80.218 7.212 -10.087 1.00 1.00 C ATOM 491 NE ARG A 33 79.233 6.343 -9.384 1.00 1.00 N ATOM 492 CZ ARG A 33 79.340 5.045 -9.456 1.00 1.00 C ATOM 493 NH1 ARG A 33 80.310 4.507 -10.145 1.00 1.00 N ATOM 494 NH2 ARG A 33 78.478 4.284 -8.840 1.00 1.00 N ATOM 0 H ARG A 33 82.036 9.150 -11.064 1.00 1.00 H new ATOM 0 HA ARG A 33 81.575 10.701 -8.545 1.00 1.00 H new ATOM 0 HB2 ARG A 33 81.890 8.388 -7.388 1.00 1.00 H new ATOM 0 HB3 ARG A 33 80.314 8.740 -8.070 1.00 1.00 H new ATOM 0 HG2 ARG A 33 82.357 7.443 -9.879 1.00 1.00 H new ATOM 0 HG3 ARG A 33 81.626 6.444 -8.638 1.00 1.00 H new ATOM 0 HD2 ARG A 33 79.786 8.196 -10.270 1.00 1.00 H new ATOM 0 HD3 ARG A 33 80.465 6.787 -11.060 1.00 1.00 H new ATOM 0 HE ARG A 33 78.475 6.763 -8.846 1.00 1.00 H new ATOM 0 HH11 ARG A 33 80.984 5.102 -10.627 1.00 1.00 H new ATOM 0 HH21 ARG A 33 77.720 4.704 -8.302 1.00 1.00 H new ATOM 0 HH22 ARG A 33 78.562 3.269 -8.896 1.00 1.00 H new ATOM 508 N GLN A 34 84.124 10.787 -9.411 1.00 1.00 N ATOM 509 CA GLN A 34 85.615 10.809 -9.367 1.00 1.00 C ATOM 510 C GLN A 34 86.078 11.566 -8.120 1.00 1.00 C ATOM 511 O GLN A 34 85.931 12.768 -8.022 1.00 1.00 O ATOM 512 CB GLN A 34 86.153 11.509 -10.618 1.00 1.00 C ATOM 513 CG GLN A 34 85.399 11.008 -11.851 1.00 1.00 C ATOM 514 CD GLN A 34 84.214 11.933 -12.136 1.00 1.00 C ATOM 515 OE1 GLN A 34 83.458 12.263 -11.244 1.00 1.00 O ATOM 516 NE2 GLN A 34 84.018 12.368 -13.351 1.00 1.00 N ATOM 0 H GLN A 34 83.690 11.618 -9.813 1.00 1.00 H new ATOM 0 HA GLN A 34 85.992 9.787 -9.332 1.00 1.00 H new ATOM 0 HB2 GLN A 34 86.036 12.588 -10.522 1.00 1.00 H new ATOM 0 HB3 GLN A 34 87.220 11.312 -10.727 1.00 1.00 H new ATOM 0 HG2 GLN A 34 86.067 10.979 -12.712 1.00 1.00 H new ATOM 0 HG3 GLN A 34 85.047 9.989 -11.686 1.00 1.00 H new ATOM 0 HE21 GLN A 34 84.652 12.091 -14.100 1.00 1.00 H new ATOM 0 HE22 GLN A 34 83.231 12.985 -13.551 1.00 1.00 H new ATOM 525 N THR A 35 86.638 10.872 -7.166 1.00 1.00 N ATOM 526 CA THR A 35 87.112 11.552 -5.926 1.00 1.00 C ATOM 527 C THR A 35 88.268 10.754 -5.318 1.00 1.00 C ATOM 528 O THR A 35 89.424 11.025 -5.575 1.00 1.00 O ATOM 529 CB THR A 35 85.963 11.633 -4.917 1.00 1.00 C ATOM 530 OG1 THR A 35 85.308 10.375 -4.847 1.00 1.00 O ATOM 531 CG2 THR A 35 84.966 12.706 -5.360 1.00 1.00 C ATOM 0 H THR A 35 86.788 9.863 -7.192 1.00 1.00 H new ATOM 0 HA THR A 35 87.453 12.558 -6.171 1.00 1.00 H new ATOM 0 HB THR A 35 86.359 11.892 -3.935 1.00 1.00 H new ATOM 0 HG1 THR A 35 84.573 10.424 -4.200 1.00 1.00 H new ATOM 0 HG21 THR A 35 84.149 12.762 -4.641 1.00 1.00 H new ATOM 0 HG22 THR A 35 85.470 13.671 -5.413 1.00 1.00 H new ATOM 0 HG23 THR A 35 84.568 12.450 -6.342 1.00 1.00 H new ATOM 539 N ARG A 36 87.963 9.770 -4.513 1.00 1.00 N ATOM 540 CA ARG A 36 89.040 8.950 -3.883 1.00 1.00 C ATOM 541 C ARG A 36 89.138 7.601 -4.601 1.00 1.00 C ATOM 542 O ARG A 36 89.969 6.776 -4.280 1.00 1.00 O ATOM 543 CB ARG A 36 88.703 8.720 -2.406 1.00 1.00 C ATOM 544 CG ARG A 36 89.694 7.723 -1.802 1.00 1.00 C ATOM 545 CD ARG A 36 89.713 7.880 -0.280 1.00 1.00 C ATOM 546 NE ARG A 36 90.613 6.851 0.314 1.00 1.00 N ATOM 547 CZ ARG A 36 91.010 6.968 1.551 1.00 1.00 C ATOM 548 NH1 ARG A 36 90.620 7.986 2.268 1.00 1.00 N ATOM 549 NH2 ARG A 36 91.798 6.067 2.071 1.00 1.00 N ATOM 0 H ARG A 36 87.012 9.498 -4.264 1.00 1.00 H new ATOM 0 HA ARG A 36 89.993 9.473 -3.962 1.00 1.00 H new ATOM 0 HB2 ARG A 36 88.744 9.664 -1.862 1.00 1.00 H new ATOM 0 HB3 ARG A 36 87.686 8.341 -2.310 1.00 1.00 H new ATOM 0 HG2 ARG A 36 89.411 6.705 -2.070 1.00 1.00 H new ATOM 0 HG3 ARG A 36 90.691 7.894 -2.208 1.00 1.00 H new ATOM 0 HD2 ARG A 36 90.057 8.879 -0.011 1.00 1.00 H new ATOM 0 HD3 ARG A 36 88.705 7.772 0.120 1.00 1.00 H new ATOM 0 HE ARG A 36 90.918 6.056 -0.247 1.00 1.00 H new ATOM 0 HH11 ARG A 36 90.005 8.690 1.861 1.00 1.00 H new ATOM 0 HH12 ARG A 36 90.931 8.077 3.235 1.00 1.00 H new ATOM 0 HH21 ARG A 36 92.103 5.272 1.510 1.00 1.00 H new ATOM 0 HH22 ARG A 36 92.109 6.158 3.038 1.00 1.00 H new ATOM 563 N GLN A 37 88.293 7.370 -5.569 1.00 1.00 N ATOM 564 CA GLN A 37 88.336 6.074 -6.303 1.00 1.00 C ATOM 565 C GLN A 37 88.089 4.929 -5.318 1.00 1.00 C ATOM 566 O GLN A 37 88.376 5.038 -4.142 1.00 1.00 O ATOM 567 CB GLN A 37 89.707 5.899 -6.964 1.00 1.00 C ATOM 568 CG GLN A 37 90.144 7.224 -7.593 1.00 1.00 C ATOM 569 CD GLN A 37 91.305 6.973 -8.557 1.00 1.00 C ATOM 570 OE1 GLN A 37 91.797 5.769 -8.668 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 91.769 7.882 -9.217 1.00 1.00 N flip ATOM 0 H GLN A 37 87.575 8.023 -5.883 1.00 1.00 H new ATOM 0 HA GLN A 37 87.565 6.066 -7.074 1.00 1.00 H new ATOM 0 HB2 GLN A 37 90.440 5.576 -6.225 1.00 1.00 H new ATOM 0 HB3 GLN A 37 89.658 5.121 -7.726 1.00 1.00 H new ATOM 0 HG2 GLN A 37 89.308 7.680 -8.124 1.00 1.00 H new ATOM 0 HG3 GLN A 37 90.448 7.925 -6.816 1.00 1.00 H new ATOM 0 HE21 GLN A 37 91.385 8.823 -9.130 1.00 1.00 H new ATOM 0 HE22 GLN A 37 92.543 7.704 -9.857 1.00 1.00 H new ATOM 580 N CYS A 38 87.551 3.835 -5.783 1.00 1.00 N ATOM 581 CA CYS A 38 87.281 2.692 -4.865 1.00 1.00 C ATOM 582 C CYS A 38 86.675 1.532 -5.659 1.00 1.00 C ATOM 583 O CYS A 38 86.104 0.616 -5.100 1.00 1.00 O ATOM 584 CB CYS A 38 86.300 3.138 -3.774 1.00 1.00 C ATOM 585 SG CYS A 38 85.323 4.537 -4.378 1.00 1.00 S ATOM 0 H CYS A 38 87.287 3.683 -6.757 1.00 1.00 H new ATOM 0 HA CYS A 38 88.213 2.365 -4.404 1.00 1.00 H new ATOM 0 HB2 CYS A 38 85.643 2.312 -3.501 1.00 1.00 H new ATOM 0 HB3 CYS A 38 86.845 3.423 -2.874 1.00 1.00 H new ATOM 590 N LYS A 39 86.793 1.563 -6.958 1.00 1.00 N ATOM 591 CA LYS A 39 86.222 0.463 -7.786 1.00 1.00 C ATOM 592 C LYS A 39 86.690 -0.888 -7.237 1.00 1.00 C ATOM 593 O LYS A 39 86.108 -1.917 -7.519 1.00 1.00 O ATOM 594 CB LYS A 39 86.695 0.619 -9.235 1.00 1.00 C ATOM 595 CG LYS A 39 85.890 -0.314 -10.142 1.00 1.00 C ATOM 596 CD LYS A 39 84.448 0.186 -10.239 1.00 1.00 C ATOM 597 CE LYS A 39 83.513 -0.813 -9.556 1.00 1.00 C ATOM 598 NZ LYS A 39 83.261 -1.962 -10.470 1.00 1.00 N ATOM 0 H LYS A 39 87.260 2.303 -7.482 1.00 1.00 H new ATOM 0 HA LYS A 39 85.134 0.509 -7.751 1.00 1.00 H new ATOM 0 HB2 LYS A 39 86.572 1.652 -9.559 1.00 1.00 H new ATOM 0 HB3 LYS A 39 87.757 0.386 -9.308 1.00 1.00 H new ATOM 0 HG2 LYS A 39 86.340 -0.352 -11.134 1.00 1.00 H new ATOM 0 HG3 LYS A 39 85.908 -1.329 -9.745 1.00 1.00 H new ATOM 0 HD2 LYS A 39 84.359 1.164 -9.767 1.00 1.00 H new ATOM 0 HD3 LYS A 39 84.164 0.309 -11.284 1.00 1.00 H new ATOM 0 HE2 LYS A 39 83.957 -1.166 -8.625 1.00 1.00 H new ATOM 0 HE3 LYS A 39 82.572 -0.328 -9.296 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 82.282 -1.921 -10.818 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 83.917 -1.915 -11.276 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 83.408 -2.854 -9.955 1.00 1.00 H new ATOM 612 N SER A 40 87.738 -0.894 -6.456 1.00 1.00 N ATOM 613 CA SER A 40 88.245 -2.179 -5.890 1.00 1.00 C ATOM 614 C SER A 40 88.612 -1.981 -4.418 1.00 1.00 C ATOM 615 O SER A 40 89.394 -1.116 -4.074 1.00 1.00 O ATOM 616 CB SER A 40 89.486 -2.621 -6.667 1.00 1.00 C ATOM 617 OG SER A 40 89.105 -3.004 -7.981 1.00 1.00 O ATOM 0 H SER A 40 88.265 -0.064 -6.185 1.00 1.00 H new ATOM 0 HA SER A 40 87.471 -2.942 -5.972 1.00 1.00 H new ATOM 0 HB2 SER A 40 90.212 -1.809 -6.709 1.00 1.00 H new ATOM 0 HB3 SER A 40 89.970 -3.455 -6.159 1.00 1.00 H new ATOM 0 HG SER A 40 89.898 -3.286 -8.482 1.00 1.00 H new ATOM 623 N LYS A 41 88.052 -2.778 -3.546 1.00 1.00 N ATOM 624 CA LYS A 41 88.361 -2.648 -2.091 1.00 1.00 C ATOM 625 C LYS A 41 88.719 -4.030 -1.529 1.00 1.00 C ATOM 626 O LYS A 41 88.298 -5.043 -2.052 1.00 1.00 O ATOM 627 CB LYS A 41 87.129 -2.098 -1.363 1.00 1.00 C ATOM 628 CG LYS A 41 85.861 -2.566 -2.080 1.00 1.00 C ATOM 629 CD LYS A 41 84.653 -2.371 -1.162 1.00 1.00 C ATOM 630 CE LYS A 41 83.409 -2.968 -1.822 1.00 1.00 C ATOM 631 NZ LYS A 41 83.466 -2.737 -3.293 1.00 1.00 N ATOM 0 H LYS A 41 87.390 -3.518 -3.781 1.00 1.00 H new ATOM 0 HA LYS A 41 89.201 -1.968 -1.947 1.00 1.00 H new ATOM 0 HB2 LYS A 41 87.122 -2.441 -0.328 1.00 1.00 H new ATOM 0 HB3 LYS A 41 87.164 -1.009 -1.338 1.00 1.00 H new ATOM 0 HG2 LYS A 41 85.724 -2.003 -3.003 1.00 1.00 H new ATOM 0 HG3 LYS A 41 85.954 -3.616 -2.358 1.00 1.00 H new ATOM 0 HD2 LYS A 41 84.833 -2.851 -0.200 1.00 1.00 H new ATOM 0 HD3 LYS A 41 84.500 -1.310 -0.966 1.00 1.00 H new ATOM 0 HE2 LYS A 41 83.351 -4.036 -1.613 1.00 1.00 H new ATOM 0 HE3 LYS A 41 82.510 -2.513 -1.406 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 82.511 -2.824 -3.695 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 83.835 -1.783 -3.481 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 84.092 -3.443 -3.731 1.00 1.00 H new ATOM 645 N PRO A 42 89.492 -4.075 -0.472 1.00 1.00 N ATOM 646 CA PRO A 42 89.909 -5.359 0.163 1.00 1.00 C ATOM 647 C PRO A 42 88.781 -5.989 0.994 1.00 1.00 C ATOM 648 O PRO A 42 87.920 -5.298 1.501 1.00 1.00 O ATOM 649 CB PRO A 42 91.071 -4.945 1.069 1.00 1.00 C ATOM 650 CG PRO A 42 90.790 -3.523 1.428 1.00 1.00 C ATOM 651 CD PRO A 42 90.051 -2.910 0.235 1.00 1.00 C ATOM 0 HA PRO A 42 90.175 -6.114 -0.577 1.00 1.00 H new ATOM 0 HB2 PRO A 42 91.123 -5.574 1.958 1.00 1.00 H new ATOM 0 HB3 PRO A 42 92.027 -5.041 0.554 1.00 1.00 H new ATOM 0 HG2 PRO A 42 90.184 -3.464 2.332 1.00 1.00 H new ATOM 0 HG3 PRO A 42 91.716 -2.984 1.629 1.00 1.00 H new ATOM 0 HD2 PRO A 42 89.267 -2.226 0.559 1.00 1.00 H new ATOM 0 HD3 PRO A 42 90.726 -2.341 -0.404 1.00 1.00 H new ATOM 659 N PRO A 43 88.788 -7.292 1.136 1.00 1.00 N ATOM 660 CA PRO A 43 87.751 -8.021 1.925 1.00 1.00 C ATOM 661 C PRO A 43 87.974 -7.887 3.436 1.00 1.00 C ATOM 662 O PRO A 43 89.064 -8.093 3.931 1.00 1.00 O ATOM 663 CB PRO A 43 87.930 -9.475 1.485 1.00 1.00 C ATOM 664 CG PRO A 43 89.370 -9.585 1.107 1.00 1.00 C ATOM 665 CD PRO A 43 89.784 -8.214 0.564 1.00 1.00 C ATOM 0 HA PRO A 43 86.750 -7.629 1.748 1.00 1.00 H new ATOM 0 HB2 PRO A 43 87.679 -10.166 2.290 1.00 1.00 H new ATOM 0 HB3 PRO A 43 87.281 -9.716 0.643 1.00 1.00 H new ATOM 0 HG2 PRO A 43 89.977 -9.860 1.969 1.00 1.00 H new ATOM 0 HG3 PRO A 43 89.515 -10.360 0.355 1.00 1.00 H new ATOM 0 HD2 PRO A 43 90.796 -7.951 0.872 1.00 1.00 H new ATOM 0 HD3 PRO A 43 89.768 -8.194 -0.526 1.00 1.00 H new ATOM 673 N LYS A 44 86.947 -7.547 4.171 1.00 1.00 N ATOM 674 CA LYS A 44 87.095 -7.402 5.650 1.00 1.00 C ATOM 675 C LYS A 44 88.205 -6.391 5.958 1.00 1.00 C ATOM 676 O LYS A 44 89.357 -6.598 5.633 1.00 1.00 O ATOM 677 CB LYS A 44 87.446 -8.765 6.270 1.00 1.00 C ATOM 678 CG LYS A 44 86.163 -9.473 6.711 1.00 1.00 C ATOM 679 CD LYS A 44 85.768 -8.991 8.108 1.00 1.00 C ATOM 680 CE LYS A 44 86.656 -9.669 9.153 1.00 1.00 C ATOM 681 NZ LYS A 44 87.831 -8.800 9.446 1.00 1.00 N ATOM 0 H LYS A 44 86.011 -7.363 3.810 1.00 1.00 H new ATOM 0 HA LYS A 44 86.156 -7.046 6.075 1.00 1.00 H new ATOM 0 HB2 LYS A 44 87.981 -9.379 5.545 1.00 1.00 H new ATOM 0 HB3 LYS A 44 88.110 -8.628 7.124 1.00 1.00 H new ATOM 0 HG2 LYS A 44 85.360 -9.267 6.003 1.00 1.00 H new ATOM 0 HG3 LYS A 44 86.314 -10.552 6.716 1.00 1.00 H new ATOM 0 HD2 LYS A 44 85.873 -7.908 8.174 1.00 1.00 H new ATOM 0 HD3 LYS A 44 84.720 -9.222 8.301 1.00 1.00 H new ATOM 0 HE2 LYS A 44 86.088 -9.851 10.065 1.00 1.00 H new ATOM 0 HE3 LYS A 44 86.990 -10.640 8.787 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 88.702 -9.278 9.137 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 87.732 -7.899 8.937 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 87.881 -8.617 10.468 1.00 1.00 H new ATOM 695 N LYS A 45 87.866 -5.296 6.584 1.00 1.00 N ATOM 696 CA LYS A 45 88.901 -4.275 6.910 1.00 1.00 C ATOM 697 C LYS A 45 88.298 -3.209 7.828 1.00 1.00 C ATOM 698 O LYS A 45 88.899 -2.803 8.802 1.00 1.00 O ATOM 699 CB LYS A 45 89.389 -3.617 5.616 1.00 1.00 C ATOM 700 CG LYS A 45 90.697 -2.869 5.881 1.00 1.00 C ATOM 701 CD LYS A 45 91.879 -3.820 5.683 1.00 1.00 C ATOM 702 CE LYS A 45 93.150 -3.178 6.244 1.00 1.00 C ATOM 703 NZ LYS A 45 94.344 -3.878 5.692 1.00 1.00 N ATOM 0 H LYS A 45 86.918 -5.065 6.883 1.00 1.00 H new ATOM 0 HA LYS A 45 89.739 -4.755 7.415 1.00 1.00 H new ATOM 0 HB2 LYS A 45 89.541 -4.374 4.846 1.00 1.00 H new ATOM 0 HB3 LYS A 45 88.634 -2.927 5.240 1.00 1.00 H new ATOM 0 HG2 LYS A 45 90.785 -2.018 5.206 1.00 1.00 H new ATOM 0 HG3 LYS A 45 90.702 -2.472 6.896 1.00 1.00 H new ATOM 0 HD2 LYS A 45 91.685 -4.768 6.186 1.00 1.00 H new ATOM 0 HD3 LYS A 45 92.008 -4.041 4.624 1.00 1.00 H new ATOM 0 HE2 LYS A 45 93.182 -2.120 5.983 1.00 1.00 H new ATOM 0 HE3 LYS A 45 93.151 -3.238 7.332 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 95.208 -3.443 6.073 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 94.314 -4.882 5.963 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 94.344 -3.799 4.655 1.00 1.00 H new ATOM 717 N GLY A 46 87.115 -2.747 7.521 1.00 1.00 N ATOM 718 CA GLY A 46 86.476 -1.702 8.372 1.00 1.00 C ATOM 719 C GLY A 46 85.606 -2.364 9.443 1.00 1.00 C ATOM 720 O GLY A 46 85.006 -3.396 9.219 1.00 1.00 O ATOM 0 H GLY A 46 86.564 -3.048 6.717 1.00 1.00 H new ATOM 0 HA2 GLY A 46 87.242 -1.086 8.843 1.00 1.00 H new ATOM 0 HA3 GLY A 46 85.868 -1.040 7.755 1.00 1.00 H new ATOM 724 N VAL A 47 85.531 -1.772 10.604 1.00 1.00 N ATOM 725 CA VAL A 47 84.699 -2.357 11.695 1.00 1.00 C ATOM 726 C VAL A 47 84.167 -1.229 12.581 1.00 1.00 C ATOM 727 O VAL A 47 84.902 -0.357 12.998 1.00 1.00 O ATOM 728 CB VAL A 47 85.552 -3.309 12.535 1.00 1.00 C ATOM 729 CG1 VAL A 47 86.063 -4.450 11.654 1.00 1.00 C ATOM 730 CG2 VAL A 47 86.742 -2.545 13.118 1.00 1.00 C ATOM 0 H VAL A 47 86.012 -0.905 10.845 1.00 1.00 H new ATOM 0 HA VAL A 47 83.864 -2.909 11.263 1.00 1.00 H new ATOM 0 HB VAL A 47 84.948 -3.718 13.345 1.00 1.00 H new ATOM 0 HG11 VAL A 47 86.671 -5.128 12.253 1.00 1.00 H new ATOM 0 HG12 VAL A 47 85.216 -4.995 11.237 1.00 1.00 H new ATOM 0 HG13 VAL A 47 86.667 -4.042 10.844 1.00 1.00 H new ATOM 0 HG21 VAL A 47 87.351 -3.222 13.717 1.00 1.00 H new ATOM 0 HG22 VAL A 47 87.345 -2.136 12.307 1.00 1.00 H new ATOM 0 HG23 VAL A 47 86.380 -1.731 13.746 1.00 1.00 H new ATOM 740 N GLN A 48 82.894 -1.234 12.869 1.00 1.00 N ATOM 741 CA GLN A 48 82.323 -0.154 13.722 1.00 1.00 C ATOM 742 C GLN A 48 82.661 1.204 13.106 1.00 1.00 C ATOM 743 O GLN A 48 83.157 2.093 13.769 1.00 1.00 O ATOM 744 CB GLN A 48 82.919 -0.243 15.130 1.00 1.00 C ATOM 745 CG GLN A 48 82.093 0.615 16.091 1.00 1.00 C ATOM 746 CD GLN A 48 82.484 0.287 17.533 1.00 1.00 C ATOM 747 OE1 GLN A 48 82.958 -0.796 17.815 1.00 1.00 O ATOM 748 NE2 GLN A 48 82.305 1.182 18.465 1.00 1.00 N ATOM 0 H GLN A 48 82.227 -1.937 12.552 1.00 1.00 H new ATOM 0 HA GLN A 48 81.241 -0.269 13.783 1.00 1.00 H new ATOM 0 HB2 GLN A 48 82.928 -1.279 15.467 1.00 1.00 H new ATOM 0 HB3 GLN A 48 83.954 0.098 15.120 1.00 1.00 H new ATOM 0 HG2 GLN A 48 82.263 1.673 15.889 1.00 1.00 H new ATOM 0 HG3 GLN A 48 81.030 0.428 15.940 1.00 1.00 H new ATOM 0 HE21 GLN A 48 81.907 2.091 18.229 1.00 1.00 H new ATOM 0 HE22 GLN A 48 82.563 0.973 19.429 1.00 1.00 H new ATOM 757 N GLY A 49 82.399 1.368 11.838 1.00 1.00 N ATOM 758 CA GLY A 49 82.707 2.666 11.172 1.00 1.00 C ATOM 759 C GLY A 49 82.994 2.422 9.690 1.00 1.00 C ATOM 760 O GLY A 49 82.115 2.074 8.927 1.00 1.00 O ATOM 0 H GLY A 49 81.985 0.659 11.234 1.00 1.00 H new ATOM 0 HA2 GLY A 49 81.867 3.352 11.283 1.00 1.00 H new ATOM 0 HA3 GLY A 49 83.568 3.136 11.648 1.00 1.00 H new ATOM 764 N CYS A 50 84.219 2.601 9.277 1.00 1.00 N ATOM 765 CA CYS A 50 84.565 2.379 7.844 1.00 1.00 C ATOM 766 C CYS A 50 86.050 2.030 7.728 1.00 1.00 C ATOM 767 O CYS A 50 86.536 1.115 8.363 1.00 1.00 O ATOM 768 CB CYS A 50 84.280 3.654 7.048 1.00 1.00 C ATOM 769 SG CYS A 50 82.515 4.043 7.140 1.00 1.00 S ATOM 0 H CYS A 50 84.996 2.892 9.870 1.00 1.00 H new ATOM 0 HA CYS A 50 83.965 1.560 7.447 1.00 1.00 H new ATOM 0 HB2 CYS A 50 84.867 4.482 7.446 1.00 1.00 H new ATOM 0 HB3 CYS A 50 84.580 3.521 6.009 1.00 1.00 H new ATOM 774 N GLY A 51 86.774 2.756 6.920 1.00 1.00 N ATOM 775 CA GLY A 51 88.229 2.476 6.758 1.00 1.00 C ATOM 776 C GLY A 51 88.934 3.746 6.280 1.00 1.00 C ATOM 777 O GLY A 51 89.950 3.693 5.616 1.00 1.00 O ATOM 0 H GLY A 51 86.419 3.534 6.363 1.00 1.00 H new ATOM 0 HA2 GLY A 51 88.655 2.143 7.704 1.00 1.00 H new ATOM 0 HA3 GLY A 51 88.379 1.670 6.040 1.00 1.00 H new ATOM 781 N ASP A 52 88.399 4.890 6.613 1.00 1.00 N ATOM 782 CA ASP A 52 89.033 6.167 6.179 1.00 1.00 C ATOM 783 C ASP A 52 88.784 7.246 7.236 1.00 1.00 C ATOM 784 O ASP A 52 89.707 7.809 7.788 1.00 1.00 O ATOM 785 CB ASP A 52 88.426 6.609 4.845 1.00 1.00 C ATOM 786 CG ASP A 52 89.007 7.966 4.444 1.00 1.00 C ATOM 787 OD1 ASP A 52 90.141 8.233 4.807 1.00 1.00 O ATOM 788 OD2 ASP A 52 88.308 8.715 3.781 1.00 1.00 O ATOM 0 H ASP A 52 87.549 4.995 7.167 1.00 1.00 H new ATOM 0 HA ASP A 52 90.106 6.018 6.059 1.00 1.00 H new ATOM 0 HB2 ASP A 52 88.638 5.869 4.074 1.00 1.00 H new ATOM 0 HB3 ASP A 52 87.342 6.677 4.932 1.00 1.00 H new ATOM 793 N ASP A 53 87.544 7.539 7.522 1.00 1.00 N ATOM 794 CA ASP A 53 87.241 8.582 8.543 1.00 1.00 C ATOM 795 C ASP A 53 85.723 8.765 8.653 1.00 1.00 C ATOM 796 O ASP A 53 85.133 9.565 7.956 1.00 1.00 O ATOM 797 CB ASP A 53 87.893 9.909 8.125 1.00 1.00 C ATOM 798 CG ASP A 53 89.203 10.100 8.892 1.00 1.00 C ATOM 799 OD1 ASP A 53 89.151 10.149 10.110 1.00 1.00 O ATOM 800 OD2 ASP A 53 90.235 10.192 8.249 1.00 1.00 O ATOM 0 H ASP A 53 86.729 7.101 7.093 1.00 1.00 H new ATOM 0 HA ASP A 53 87.637 8.272 9.510 1.00 1.00 H new ATOM 0 HB2 ASP A 53 88.084 9.910 7.052 1.00 1.00 H new ATOM 0 HB3 ASP A 53 87.216 10.739 8.329 1.00 1.00 H new ATOM 805 N ILE A 54 85.090 8.029 9.526 1.00 1.00 N ATOM 806 CA ILE A 54 83.612 8.158 9.685 1.00 1.00 C ATOM 807 C ILE A 54 83.230 9.646 9.759 1.00 1.00 C ATOM 808 O ILE A 54 83.509 10.307 10.739 1.00 1.00 O ATOM 809 CB ILE A 54 83.179 7.462 10.982 1.00 1.00 C ATOM 810 CG1 ILE A 54 83.992 6.179 11.166 1.00 1.00 C ATOM 811 CG2 ILE A 54 81.691 7.114 10.904 1.00 1.00 C ATOM 812 CD1 ILE A 54 85.242 6.480 11.996 1.00 1.00 C ATOM 0 H ILE A 54 85.533 7.343 10.137 1.00 1.00 H new ATOM 0 HA ILE A 54 83.114 7.695 8.833 1.00 1.00 H new ATOM 0 HB ILE A 54 83.352 8.129 11.827 1.00 1.00 H new ATOM 0 HG12 ILE A 54 83.387 5.421 11.663 1.00 1.00 H new ATOM 0 HG13 ILE A 54 84.276 5.774 10.195 1.00 1.00 H new ATOM 0 HG21 ILE A 54 81.384 6.620 11.826 1.00 1.00 H new ATOM 0 HG22 ILE A 54 81.110 8.027 10.771 1.00 1.00 H new ATOM 0 HG23 ILE A 54 81.517 6.447 10.059 1.00 1.00 H new ATOM 0 HD11 ILE A 54 85.821 5.566 12.127 1.00 1.00 H new ATOM 0 HD12 ILE A 54 85.850 7.224 11.481 1.00 1.00 H new ATOM 0 HD13 ILE A 54 84.947 6.865 12.972 1.00 1.00 H new ATOM 824 N PRO A 55 82.598 10.174 8.736 1.00 1.00 N ATOM 825 CA PRO A 55 82.182 11.604 8.706 1.00 1.00 C ATOM 826 C PRO A 55 80.856 11.843 9.439 1.00 1.00 C ATOM 827 O PRO A 55 80.634 12.888 10.017 1.00 1.00 O ATOM 828 CB PRO A 55 82.030 11.889 7.213 1.00 1.00 C ATOM 829 CG PRO A 55 81.623 10.581 6.614 1.00 1.00 C ATOM 830 CD PRO A 55 82.214 9.476 7.498 1.00 1.00 C ATOM 0 HA PRO A 55 82.900 12.252 9.209 1.00 1.00 H new ATOM 0 HB2 PRO A 55 81.279 12.658 7.032 1.00 1.00 H new ATOM 0 HB3 PRO A 55 82.964 12.248 6.782 1.00 1.00 H new ATOM 0 HG2 PRO A 55 80.537 10.499 6.570 1.00 1.00 H new ATOM 0 HG3 PRO A 55 81.991 10.494 5.592 1.00 1.00 H new ATOM 0 HD2 PRO A 55 81.485 8.689 7.693 1.00 1.00 H new ATOM 0 HD3 PRO A 55 83.074 9.003 7.024 1.00 1.00 H new ATOM 838 N GLY A 56 79.972 10.882 9.415 1.00 1.00 N ATOM 839 CA GLY A 56 78.661 11.055 10.104 1.00 1.00 C ATOM 840 C GLY A 56 78.863 11.023 11.620 1.00 1.00 C ATOM 841 O GLY A 56 78.577 11.979 12.313 1.00 1.00 O ATOM 0 H GLY A 56 80.101 9.985 8.948 1.00 1.00 H new ATOM 0 HA2 GLY A 56 78.207 12.001 9.809 1.00 1.00 H new ATOM 0 HA3 GLY A 56 77.974 10.264 9.803 1.00 1.00 H new ATOM 845 N MET A 57 79.351 9.929 12.140 1.00 1.00 N ATOM 846 CA MET A 57 79.569 9.829 13.613 1.00 1.00 C ATOM 847 C MET A 57 78.214 9.729 14.321 1.00 1.00 C ATOM 848 O MET A 57 78.139 9.624 15.529 1.00 1.00 O ATOM 849 CB MET A 57 80.323 11.072 14.107 1.00 1.00 C ATOM 850 CG MET A 57 81.147 10.711 15.345 1.00 1.00 C ATOM 851 SD MET A 57 82.117 12.149 15.864 1.00 1.00 S ATOM 852 CE MET A 57 83.752 11.457 15.515 1.00 1.00 C ATOM 0 H MET A 57 79.609 9.098 11.607 1.00 1.00 H new ATOM 0 HA MET A 57 80.160 8.940 13.836 1.00 1.00 H new ATOM 0 HB2 MET A 57 80.976 11.451 13.321 1.00 1.00 H new ATOM 0 HB3 MET A 57 79.617 11.867 14.346 1.00 1.00 H new ATOM 0 HG2 MET A 57 80.489 10.392 16.153 1.00 1.00 H new ATOM 0 HG3 MET A 57 81.808 9.873 15.123 1.00 1.00 H new ATOM 0 HE1 MET A 57 84.519 12.190 15.767 1.00 1.00 H new ATOM 0 HE2 MET A 57 83.901 10.557 16.111 1.00 1.00 H new ATOM 0 HE3 MET A 57 83.823 11.207 14.456 1.00 1.00 H new ATOM 862 N GLU A 58 77.144 9.757 13.572 1.00 1.00 N ATOM 863 CA GLU A 58 75.788 9.661 14.188 1.00 1.00 C ATOM 864 C GLU A 58 74.919 8.733 13.337 1.00 1.00 C ATOM 865 O GLU A 58 74.755 8.936 12.151 1.00 1.00 O ATOM 866 CB GLU A 58 75.150 11.052 14.247 1.00 1.00 C ATOM 867 CG GLU A 58 75.172 11.686 12.855 1.00 1.00 C ATOM 868 CD GLU A 58 74.998 13.201 12.981 1.00 1.00 C ATOM 869 OE1 GLU A 58 73.994 13.618 13.536 1.00 1.00 O ATOM 870 OE2 GLU A 58 75.871 13.918 12.520 1.00 1.00 O ATOM 0 H GLU A 58 77.151 9.843 12.556 1.00 1.00 H new ATOM 0 HA GLU A 58 75.871 9.263 15.199 1.00 1.00 H new ATOM 0 HB2 GLU A 58 74.124 10.978 14.608 1.00 1.00 H new ATOM 0 HB3 GLU A 58 75.691 11.682 14.953 1.00 1.00 H new ATOM 0 HG2 GLU A 58 76.113 11.458 12.355 1.00 1.00 H new ATOM 0 HG3 GLU A 58 74.375 11.268 12.241 1.00 1.00 H new ATOM 877 N GLY A 59 74.368 7.709 13.930 1.00 1.00 N ATOM 878 CA GLY A 59 73.522 6.765 13.147 1.00 1.00 C ATOM 879 C GLY A 59 74.407 6.014 12.153 1.00 1.00 C ATOM 880 O GLY A 59 73.932 5.423 11.204 1.00 1.00 O ATOM 0 H GLY A 59 74.467 7.486 14.920 1.00 1.00 H new ATOM 0 HA2 GLY A 59 73.025 6.062 13.815 1.00 1.00 H new ATOM 0 HA3 GLY A 59 72.740 7.310 12.618 1.00 1.00 H new ATOM 884 N CYS A 60 75.697 6.039 12.369 1.00 1.00 N ATOM 885 CA CYS A 60 76.635 5.337 11.446 1.00 1.00 C ATOM 886 C CYS A 60 77.377 4.240 12.215 1.00 1.00 C ATOM 887 O CYS A 60 78.415 3.768 11.795 1.00 1.00 O ATOM 888 CB CYS A 60 77.644 6.346 10.890 1.00 1.00 C ATOM 889 SG CYS A 60 76.865 7.975 10.770 1.00 1.00 S ATOM 0 H CYS A 60 76.143 6.519 13.151 1.00 1.00 H new ATOM 0 HA CYS A 60 76.077 4.889 10.624 1.00 1.00 H new ATOM 0 HB2 CYS A 60 78.519 6.396 11.538 1.00 1.00 H new ATOM 0 HB3 CYS A 60 77.993 6.025 9.909 1.00 1.00 H new ATOM 894 N GLY A 61 76.854 3.834 13.340 1.00 1.00 N ATOM 895 CA GLY A 61 77.530 2.772 14.138 1.00 1.00 C ATOM 896 C GLY A 61 76.487 1.987 14.936 1.00 1.00 C ATOM 897 O GLY A 61 76.660 0.819 15.222 1.00 1.00 O ATOM 0 H GLY A 61 75.987 4.192 13.741 1.00 1.00 H new ATOM 0 HA2 GLY A 61 78.078 2.100 13.477 1.00 1.00 H new ATOM 0 HA3 GLY A 61 78.259 3.219 14.814 1.00 1.00 H new ATOM 901 N THR A 62 75.405 2.620 15.301 1.00 1.00 N ATOM 902 CA THR A 62 74.352 1.912 16.085 1.00 1.00 C ATOM 903 C THR A 62 73.367 1.233 15.131 1.00 1.00 C ATOM 904 O THR A 62 73.227 0.026 15.125 1.00 1.00 O ATOM 905 CB THR A 62 73.604 2.923 16.958 1.00 1.00 C ATOM 906 OG1 THR A 62 72.553 3.510 16.204 1.00 1.00 O ATOM 907 CG2 THR A 62 74.571 4.012 17.424 1.00 1.00 C ATOM 0 H THR A 62 75.204 3.598 15.090 1.00 1.00 H new ATOM 0 HA THR A 62 74.818 1.156 16.718 1.00 1.00 H new ATOM 0 HB THR A 62 73.188 2.415 17.828 1.00 1.00 H new ATOM 0 HG1 THR A 62 71.737 2.977 16.310 1.00 1.00 H new ATOM 0 HG21 THR A 62 74.037 4.731 18.045 1.00 1.00 H new ATOM 0 HG22 THR A 62 75.377 3.560 18.003 1.00 1.00 H new ATOM 0 HG23 THR A 62 74.990 4.522 16.557 1.00 1.00 H new ATOM 915 N ASP A 63 72.678 1.997 14.329 1.00 1.00 N ATOM 916 CA ASP A 63 71.700 1.393 13.381 1.00 1.00 C ATOM 917 C ASP A 63 72.424 0.430 12.437 1.00 1.00 C ATOM 918 O ASP A 63 71.865 -0.552 11.991 1.00 1.00 O ATOM 919 CB ASP A 63 71.030 2.500 12.565 1.00 1.00 C ATOM 920 CG ASP A 63 72.083 3.223 11.723 1.00 1.00 C ATOM 921 OD1 ASP A 63 73.215 3.307 12.169 1.00 1.00 O ATOM 922 OD2 ASP A 63 71.739 3.682 10.646 1.00 1.00 O ATOM 0 H ASP A 63 72.750 3.014 14.289 1.00 1.00 H new ATOM 0 HA ASP A 63 70.943 0.846 13.943 1.00 1.00 H new ATOM 0 HB2 ASP A 63 70.261 2.076 11.919 1.00 1.00 H new ATOM 0 HB3 ASP A 63 70.533 3.206 13.230 1.00 1.00 H new ATOM 927 N ILE A 64 73.662 0.703 12.126 1.00 1.00 N ATOM 928 CA ILE A 64 74.416 -0.200 11.208 1.00 1.00 C ATOM 929 C ILE A 64 75.091 -1.304 12.013 1.00 1.00 C ATOM 930 O ILE A 64 75.402 -2.353 11.487 1.00 1.00 O ATOM 931 CB ILE A 64 75.487 0.597 10.465 1.00 1.00 C ATOM 932 CG1 ILE A 64 76.398 -0.365 9.699 1.00 1.00 C ATOM 933 CG2 ILE A 64 76.320 1.395 11.470 1.00 1.00 C ATOM 934 CD1 ILE A 64 77.242 0.421 8.695 1.00 1.00 C ATOM 0 H ILE A 64 74.184 1.511 12.467 1.00 1.00 H new ATOM 0 HA ILE A 64 73.720 -0.638 10.492 1.00 1.00 H new ATOM 0 HB ILE A 64 75.009 1.282 9.765 1.00 1.00 H new ATOM 0 HG12 ILE A 64 77.045 -0.900 10.394 1.00 1.00 H new ATOM 0 HG13 ILE A 64 75.799 -1.113 9.180 1.00 1.00 H new ATOM 0 HG21 ILE A 64 77.084 1.963 10.939 1.00 1.00 H new ATOM 0 HG22 ILE A 64 75.672 2.080 12.017 1.00 1.00 H new ATOM 0 HG23 ILE A 64 76.798 0.711 12.171 1.00 1.00 H new ATOM 0 HD11 ILE A 64 77.891 -0.264 8.150 1.00 1.00 H new ATOM 0 HD12 ILE A 64 76.586 0.936 7.993 1.00 1.00 H new ATOM 0 HD13 ILE A 64 77.851 1.152 9.226 1.00 1.00 H new ATOM 946 N THR A 65 75.334 -1.063 13.278 1.00 1.00 N ATOM 947 CA THR A 65 76.015 -2.081 14.138 1.00 1.00 C ATOM 948 C THR A 65 76.947 -2.935 13.272 1.00 1.00 C ATOM 949 O THR A 65 77.135 -4.111 13.506 1.00 1.00 O ATOM 950 CB THR A 65 74.964 -2.961 14.840 1.00 1.00 C ATOM 951 OG1 THR A 65 75.553 -3.588 15.970 1.00 1.00 O ATOM 952 CG2 THR A 65 74.458 -4.028 13.868 1.00 1.00 C ATOM 0 H THR A 65 75.087 -0.196 13.756 1.00 1.00 H new ATOM 0 HA THR A 65 76.607 -1.579 14.903 1.00 1.00 H new ATOM 0 HB THR A 65 74.127 -2.341 15.163 1.00 1.00 H new ATOM 0 HG1 THR A 65 76.372 -4.052 15.697 1.00 1.00 H new ATOM 0 HG21 THR A 65 73.714 -4.650 14.366 1.00 1.00 H new ATOM 0 HG22 THR A 65 74.006 -3.546 13.001 1.00 1.00 H new ATOM 0 HG23 THR A 65 75.292 -4.650 13.543 1.00 1.00 H new ATOM 960 N VAL A 66 77.517 -2.339 12.256 1.00 1.00 N ATOM 961 CA VAL A 66 78.421 -3.093 11.345 1.00 1.00 C ATOM 962 C VAL A 66 77.600 -4.141 10.591 1.00 1.00 C ATOM 963 O VAL A 66 77.979 -4.600 9.532 1.00 1.00 O ATOM 964 CB VAL A 66 79.525 -3.788 12.154 1.00 1.00 C ATOM 965 CG1 VAL A 66 80.740 -4.031 11.257 1.00 1.00 C ATOM 966 CG2 VAL A 66 79.931 -2.897 13.330 1.00 1.00 C ATOM 0 H VAL A 66 77.392 -1.355 12.019 1.00 1.00 H new ATOM 0 HA VAL A 66 78.885 -2.404 10.639 1.00 1.00 H new ATOM 0 HB VAL A 66 79.154 -4.742 12.530 1.00 1.00 H new ATOM 0 HG11 VAL A 66 81.524 -4.524 11.832 1.00 1.00 H new ATOM 0 HG12 VAL A 66 80.452 -4.664 10.418 1.00 1.00 H new ATOM 0 HG13 VAL A 66 81.111 -3.078 10.881 1.00 1.00 H new ATOM 0 HG21 VAL A 66 80.715 -3.389 13.906 1.00 1.00 H new ATOM 0 HG22 VAL A 66 80.302 -1.944 12.953 1.00 1.00 H new ATOM 0 HG23 VAL A 66 79.066 -2.723 13.970 1.00 1.00 H new ATOM 976 N ILE A 67 76.473 -4.519 11.136 1.00 1.00 N ATOM 977 CA ILE A 67 75.611 -5.536 10.465 1.00 1.00 C ATOM 978 C ILE A 67 74.145 -5.105 10.556 1.00 1.00 C ATOM 979 O ILE A 67 73.459 -5.422 11.507 1.00 1.00 O ATOM 980 CB ILE A 67 75.787 -6.893 11.151 1.00 1.00 C ATOM 981 CG1 ILE A 67 77.205 -7.410 10.899 1.00 1.00 C ATOM 982 CG2 ILE A 67 74.774 -7.889 10.582 1.00 1.00 C ATOM 983 CD1 ILE A 67 77.474 -8.621 11.794 1.00 1.00 C ATOM 0 H ILE A 67 76.111 -4.165 12.022 1.00 1.00 H new ATOM 0 HA ILE A 67 75.901 -5.620 9.418 1.00 1.00 H new ATOM 0 HB ILE A 67 75.624 -6.782 12.223 1.00 1.00 H new ATOM 0 HG12 ILE A 67 77.322 -7.686 9.851 1.00 1.00 H new ATOM 0 HG13 ILE A 67 77.932 -6.624 11.105 1.00 1.00 H new ATOM 0 HG21 ILE A 67 74.900 -8.855 11.071 1.00 1.00 H new ATOM 0 HG22 ILE A 67 73.763 -7.521 10.759 1.00 1.00 H new ATOM 0 HG23 ILE A 67 74.936 -8.001 9.510 1.00 1.00 H new ATOM 0 HD11 ILE A 67 78.484 -8.989 11.614 1.00 1.00 H new ATOM 0 HD12 ILE A 67 77.375 -8.330 12.840 1.00 1.00 H new ATOM 0 HD13 ILE A 67 76.755 -9.408 11.567 1.00 1.00 H new ATOM 995 N CYS A 68 73.657 -4.391 9.580 1.00 1.00 N ATOM 996 CA CYS A 68 72.233 -3.950 9.619 1.00 1.00 C ATOM 997 C CYS A 68 71.396 -4.865 8.721 1.00 1.00 C ATOM 998 O CYS A 68 71.916 -5.538 7.854 1.00 1.00 O ATOM 999 CB CYS A 68 72.135 -2.506 9.116 1.00 1.00 C ATOM 1000 SG CYS A 68 73.566 -2.133 8.072 1.00 1.00 S ATOM 0 H CYS A 68 74.182 -4.094 8.757 1.00 1.00 H new ATOM 0 HA CYS A 68 71.859 -4.003 10.641 1.00 1.00 H new ATOM 0 HB2 CYS A 68 71.213 -2.368 8.551 1.00 1.00 H new ATOM 0 HB3 CYS A 68 72.098 -1.817 9.960 1.00 1.00 H new ATOM 1005 N PRO A 69 70.103 -4.890 8.919 1.00 1.00 N ATOM 1006 CA PRO A 69 69.189 -5.733 8.103 1.00 1.00 C ATOM 1007 C PRO A 69 69.471 -5.575 6.605 1.00 1.00 C ATOM 1008 O PRO A 69 69.384 -6.517 5.842 1.00 1.00 O ATOM 1009 CB PRO A 69 67.777 -5.225 8.455 1.00 1.00 C ATOM 1010 CG PRO A 69 67.960 -4.036 9.345 1.00 1.00 C ATOM 1011 CD PRO A 69 69.370 -4.120 9.930 1.00 1.00 C ATOM 0 HA PRO A 69 69.314 -6.795 8.316 1.00 1.00 H new ATOM 0 HB2 PRO A 69 67.227 -4.953 7.554 1.00 1.00 H new ATOM 0 HB3 PRO A 69 67.200 -6.001 8.959 1.00 1.00 H new ATOM 0 HG2 PRO A 69 67.832 -3.111 8.782 1.00 1.00 H new ATOM 0 HG3 PRO A 69 67.214 -4.032 10.139 1.00 1.00 H new ATOM 0 HD2 PRO A 69 69.805 -3.132 10.078 1.00 1.00 H new ATOM 0 HD3 PRO A 69 69.376 -4.619 10.899 1.00 1.00 H new ATOM 1019 N TRP A 70 69.820 -4.389 6.182 1.00 1.00 N ATOM 1020 CA TRP A 70 70.121 -4.168 4.740 1.00 1.00 C ATOM 1021 C TRP A 70 71.541 -4.655 4.446 1.00 1.00 C ATOM 1022 O TRP A 70 72.028 -4.555 3.338 1.00 1.00 O ATOM 1023 CB TRP A 70 70.023 -2.674 4.417 1.00 1.00 C ATOM 1024 CG TRP A 70 68.585 -2.275 4.330 1.00 1.00 C ATOM 1025 CD1 TRP A 70 67.823 -2.354 3.215 1.00 1.00 C ATOM 1026 CD2 TRP A 70 67.725 -1.736 5.376 1.00 1.00 C ATOM 1027 NE1 TRP A 70 66.551 -1.900 3.508 1.00 1.00 N ATOM 1028 CE2 TRP A 70 66.439 -1.507 4.827 1.00 1.00 C ATOM 1029 CE3 TRP A 70 67.931 -1.427 6.731 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 65.396 -0.990 5.599 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 66.886 -0.907 7.510 1.00 1.00 C ATOM 1032 CH2 TRP A 70 65.622 -0.688 6.946 1.00 1.00 C ATOM 0 H TRP A 70 69.909 -3.564 6.775 1.00 1.00 H new ATOM 0 HA TRP A 70 69.405 -4.718 4.129 1.00 1.00 H new ATOM 0 HB2 TRP A 70 70.527 -2.091 5.188 1.00 1.00 H new ATOM 0 HB3 TRP A 70 70.528 -2.461 3.475 1.00 1.00 H new ATOM 0 HD1 TRP A 70 68.155 -2.714 2.252 1.00 1.00 H new ATOM 0 HE1 TRP A 70 65.788 -1.860 2.832 1.00 1.00 H new ATOM 0 HE3 TRP A 70 68.901 -1.591 7.176 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 64.423 -0.825 5.160 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 67.057 -0.674 8.551 1.00 1.00 H new ATOM 0 HH2 TRP A 70 64.823 -0.286 7.551 1.00 1.00 H new ATOM 1043 N GLU A 71 72.211 -5.180 5.436 1.00 1.00 N ATOM 1044 CA GLU A 71 73.601 -5.672 5.223 1.00 1.00 C ATOM 1045 C GLU A 71 73.552 -7.094 4.659 1.00 1.00 C ATOM 1046 O GLU A 71 74.351 -7.471 3.826 1.00 1.00 O ATOM 1047 CB GLU A 71 74.351 -5.672 6.564 1.00 1.00 C ATOM 1048 CG GLU A 71 75.851 -5.502 6.318 1.00 1.00 C ATOM 1049 CD GLU A 71 76.624 -6.543 7.130 1.00 1.00 C ATOM 1050 OE1 GLU A 71 76.266 -7.707 7.056 1.00 1.00 O ATOM 1051 OE2 GLU A 71 77.560 -6.159 7.811 1.00 1.00 O ATOM 0 H GLU A 71 71.854 -5.289 6.385 1.00 1.00 H new ATOM 0 HA GLU A 71 74.120 -5.021 4.519 1.00 1.00 H new ATOM 0 HB2 GLU A 71 73.983 -4.865 7.197 1.00 1.00 H new ATOM 0 HB3 GLU A 71 74.164 -6.605 7.096 1.00 1.00 H new ATOM 0 HG2 GLU A 71 76.071 -5.617 5.257 1.00 1.00 H new ATOM 0 HG3 GLU A 71 76.165 -4.498 6.602 1.00 1.00 H new ATOM 1058 N ALA A 72 72.619 -7.888 5.110 1.00 1.00 N ATOM 1059 CA ALA A 72 72.518 -9.283 4.600 1.00 1.00 C ATOM 1060 C ALA A 72 71.871 -9.271 3.214 1.00 1.00 C ATOM 1061 O ALA A 72 71.385 -10.277 2.736 1.00 1.00 O ATOM 1062 CB ALA A 72 71.659 -10.115 5.555 1.00 1.00 C ATOM 0 H ALA A 72 71.923 -7.630 5.810 1.00 1.00 H new ATOM 0 HA ALA A 72 73.515 -9.719 4.534 1.00 1.00 H new ATOM 0 HB1 ALA A 72 71.585 -11.136 5.182 1.00 1.00 H new ATOM 0 HB2 ALA A 72 72.117 -10.122 6.544 1.00 1.00 H new ATOM 0 HB3 ALA A 72 70.662 -9.680 5.621 1.00 1.00 H new ATOM 1068 N CYS A 73 71.859 -8.139 2.564 1.00 1.00 N ATOM 1069 CA CYS A 73 71.240 -8.066 1.210 1.00 1.00 C ATOM 1070 C CYS A 73 72.134 -8.792 0.203 1.00 1.00 C ATOM 1071 O CYS A 73 71.667 -9.337 -0.777 1.00 1.00 O ATOM 1072 CB CYS A 73 71.078 -6.595 0.802 1.00 1.00 C ATOM 1073 SG CYS A 73 72.390 -6.139 -0.359 1.00 1.00 S ATOM 0 H CYS A 73 72.250 -7.263 2.911 1.00 1.00 H new ATOM 0 HA CYS A 73 70.260 -8.543 1.227 1.00 1.00 H new ATOM 0 HB2 CYS A 73 70.102 -6.440 0.343 1.00 1.00 H new ATOM 0 HB3 CYS A 73 71.120 -5.956 1.684 1.00 1.00 H new ATOM 1078 N ASN A 74 73.419 -8.801 0.434 1.00 1.00 N ATOM 1079 CA ASN A 74 74.340 -9.490 -0.512 1.00 1.00 C ATOM 1080 C ASN A 74 74.018 -9.049 -1.941 1.00 1.00 C ATOM 1081 O ASN A 74 73.728 -7.896 -2.192 1.00 1.00 O ATOM 1082 CB ASN A 74 74.161 -11.005 -0.390 1.00 1.00 C ATOM 1083 CG ASN A 74 75.336 -11.715 -1.066 1.00 1.00 C ATOM 1084 OD1 ASN A 74 75.991 -11.152 -1.920 1.00 1.00 O ATOM 1085 ND2 ASN A 74 75.631 -12.937 -0.717 1.00 1.00 N ATOM 0 H ASN A 74 73.870 -8.361 1.236 1.00 1.00 H new ATOM 0 HA ASN A 74 75.371 -9.229 -0.273 1.00 1.00 H new ATOM 0 HB2 ASN A 74 74.105 -11.292 0.660 1.00 1.00 H new ATOM 0 HB3 ASN A 74 73.223 -11.309 -0.854 1.00 1.00 H new ATOM 0 HD21 ASN A 74 76.412 -13.420 -1.161 1.00 1.00 H new ATOM 0 HD22 ASN A 74 75.081 -13.409 0.000 1.00 1.00 H new ATOM 1092 N HIS A 75 74.065 -9.956 -2.879 1.00 1.00 N ATOM 1093 CA HIS A 75 73.759 -9.582 -4.289 1.00 1.00 C ATOM 1094 C HIS A 75 74.505 -8.295 -4.646 1.00 1.00 C ATOM 1095 O HIS A 75 74.125 -7.572 -5.546 1.00 1.00 O ATOM 1096 CB HIS A 75 72.253 -9.358 -4.438 1.00 1.00 C ATOM 1097 CG HIS A 75 71.911 -9.202 -5.894 1.00 1.00 C ATOM 1098 ND1 HIS A 75 71.459 -8.003 -6.423 1.00 1.00 N ATOM 1099 CD2 HIS A 75 71.948 -10.086 -6.946 1.00 1.00 C ATOM 1100 CE1 HIS A 75 71.244 -8.192 -7.737 1.00 1.00 C ATOM 1101 NE2 HIS A 75 71.527 -9.444 -8.105 1.00 1.00 N ATOM 0 H HIS A 75 74.301 -10.937 -2.730 1.00 1.00 H new ATOM 0 HA HIS A 75 74.076 -10.383 -4.957 1.00 1.00 H new ATOM 0 HB2 HIS A 75 71.706 -10.199 -4.013 1.00 1.00 H new ATOM 0 HB3 HIS A 75 71.950 -8.469 -3.885 1.00 1.00 H new ATOM 0 HD2 HIS A 75 72.256 -11.119 -6.882 1.00 1.00 H new ATOM 0 HE1 HIS A 75 70.887 -7.427 -8.410 1.00 1.00 H new ATOM 0 HE2 HIS A 75 71.450 -9.845 -9.040 1.00 1.00 H new ATOM 1110 N CYS A 76 75.565 -8.002 -3.942 1.00 1.00 N ATOM 1111 CA CYS A 76 76.339 -6.762 -4.230 1.00 1.00 C ATOM 1112 C CYS A 76 77.819 -7.009 -3.921 1.00 1.00 C ATOM 1113 O CYS A 76 78.657 -6.150 -4.111 1.00 1.00 O ATOM 1114 CB CYS A 76 75.795 -5.616 -3.362 1.00 1.00 C ATOM 1115 SG CYS A 76 77.160 -4.818 -2.480 1.00 1.00 S ATOM 0 H CYS A 76 75.929 -8.571 -3.177 1.00 1.00 H new ATOM 0 HA CYS A 76 76.238 -6.490 -5.281 1.00 1.00 H new ATOM 0 HB2 CYS A 76 75.278 -4.888 -3.987 1.00 1.00 H new ATOM 0 HB3 CYS A 76 75.065 -6.001 -2.650 1.00 1.00 H new ATOM 1120 N GLU A 77 78.151 -8.183 -3.458 1.00 1.00 N ATOM 1121 CA GLU A 77 79.577 -8.482 -3.147 1.00 1.00 C ATOM 1122 C GLU A 77 80.443 -8.120 -4.356 1.00 1.00 C ATOM 1123 O GLU A 77 81.655 -8.101 -4.282 1.00 1.00 O ATOM 1124 CB GLU A 77 79.728 -9.974 -2.833 1.00 1.00 C ATOM 1125 CG GLU A 77 81.192 -10.289 -2.520 1.00 1.00 C ATOM 1126 CD GLU A 77 81.929 -10.634 -3.816 1.00 1.00 C ATOM 1127 OE1 GLU A 77 81.339 -10.470 -4.871 1.00 1.00 O ATOM 1128 OE2 GLU A 77 83.069 -11.058 -3.731 1.00 1.00 O ATOM 0 H GLU A 77 77.498 -8.946 -3.282 1.00 1.00 H new ATOM 0 HA GLU A 77 79.896 -7.898 -2.283 1.00 1.00 H new ATOM 0 HB2 GLU A 77 79.099 -10.242 -1.984 1.00 1.00 H new ATOM 0 HB3 GLU A 77 79.391 -10.570 -3.681 1.00 1.00 H new ATOM 0 HG2 GLU A 77 81.664 -9.433 -2.038 1.00 1.00 H new ATOM 0 HG3 GLU A 77 81.254 -11.123 -1.821 1.00 1.00 H new ATOM 1135 N LEU A 78 79.826 -7.827 -5.469 1.00 1.00 N ATOM 1136 CA LEU A 78 80.605 -7.460 -6.686 1.00 1.00 C ATOM 1137 C LEU A 78 79.847 -6.374 -7.457 1.00 1.00 C ATOM 1138 O LEU A 78 78.674 -6.506 -7.741 1.00 1.00 O ATOM 1139 CB LEU A 78 80.780 -8.700 -7.572 1.00 1.00 C ATOM 1140 CG LEU A 78 82.138 -8.639 -8.274 1.00 1.00 C ATOM 1141 CD1 LEU A 78 82.322 -9.887 -9.139 1.00 1.00 C ATOM 1142 CD2 LEU A 78 82.197 -7.393 -9.160 1.00 1.00 C ATOM 0 H LEU A 78 78.813 -7.826 -5.588 1.00 1.00 H new ATOM 0 HA LEU A 78 81.587 -7.084 -6.399 1.00 1.00 H new ATOM 0 HB2 LEU A 78 80.712 -9.604 -6.967 1.00 1.00 H new ATOM 0 HB3 LEU A 78 79.979 -8.749 -8.310 1.00 1.00 H new ATOM 0 HG LEU A 78 82.931 -8.594 -7.528 1.00 1.00 H new ATOM 0 HD11 LEU A 78 83.289 -9.844 -9.639 1.00 1.00 H new ATOM 0 HD12 LEU A 78 82.279 -10.776 -8.509 1.00 1.00 H new ATOM 0 HD13 LEU A 78 81.529 -9.932 -9.886 1.00 1.00 H new ATOM 0 HD21 LEU A 78 83.164 -7.348 -9.661 1.00 1.00 H new ATOM 0 HD22 LEU A 78 81.404 -7.439 -9.906 1.00 1.00 H new ATOM 0 HD23 LEU A 78 82.065 -6.503 -8.545 1.00 1.00 H new ATOM 1154 N HIS A 79 80.507 -5.299 -7.791 1.00 1.00 N ATOM 1155 CA HIS A 79 79.821 -4.206 -8.537 1.00 1.00 C ATOM 1156 C HIS A 79 79.440 -4.698 -9.936 1.00 1.00 C ATOM 1157 O HIS A 79 80.241 -5.282 -10.639 1.00 1.00 O ATOM 1158 CB HIS A 79 80.759 -3.003 -8.658 1.00 1.00 C ATOM 1159 CG HIS A 79 80.057 -1.891 -9.389 1.00 1.00 C ATOM 1160 ND1 HIS A 79 79.600 -1.787 -10.680 1.00 1.00 N flip ATOM 1161 CD2 HIS A 79 79.746 -0.686 -8.778 1.00 1.00 C flip ATOM 1162 CE1 HIS A 79 79.015 -0.538 -10.864 1.00 1.00 C flip ATOM 1163 NE2 HIS A 79 79.129 0.086 -9.690 1.00 1.00 N flip ATOM 0 H HIS A 79 81.491 -5.130 -7.580 1.00 1.00 H new ATOM 0 HA HIS A 79 78.920 -3.912 -7.999 1.00 1.00 H new ATOM 0 HB2 HIS A 79 81.064 -2.665 -7.668 1.00 1.00 H new ATOM 0 HB3 HIS A 79 81.666 -3.288 -9.192 1.00 1.00 H new ATOM 0 HD1 HIS A 79 79.677 -2.512 -11.393 1.00 1.00 H new ATOM 0 HD2 HIS A 79 79.960 -0.416 -7.755 1.00 1.00 H new ATOM 0 HE1 HIS A 79 78.564 -0.154 -11.767 1.00 1.00 H new ATOM 1172 N GLU A 80 78.221 -4.463 -10.342 1.00 1.00 N ATOM 1173 CA GLU A 80 77.776 -4.909 -11.695 1.00 1.00 C ATOM 1174 C GLU A 80 76.920 -3.810 -12.329 1.00 1.00 C ATOM 1175 O GLU A 80 77.410 -2.757 -12.686 1.00 1.00 O ATOM 1176 CB GLU A 80 76.946 -6.189 -11.566 1.00 1.00 C ATOM 1177 CG GLU A 80 77.801 -7.292 -10.939 1.00 1.00 C ATOM 1178 CD GLU A 80 76.956 -8.554 -10.760 1.00 1.00 C ATOM 1179 OE1 GLU A 80 76.747 -9.247 -11.742 1.00 1.00 O ATOM 1180 OE2 GLU A 80 76.533 -8.807 -9.644 1.00 1.00 O ATOM 0 HA GLU A 80 78.647 -5.105 -12.320 1.00 1.00 H new ATOM 0 HB2 GLU A 80 76.065 -6.003 -10.951 1.00 1.00 H new ATOM 0 HB3 GLU A 80 76.589 -6.504 -12.547 1.00 1.00 H new ATOM 0 HG2 GLU A 80 78.661 -7.505 -11.574 1.00 1.00 H new ATOM 0 HG3 GLU A 80 78.189 -6.962 -9.975 1.00 1.00 H new ATOM 1187 N LEU A 81 75.643 -4.044 -12.466 1.00 1.00 N ATOM 1188 CA LEU A 81 74.753 -3.011 -13.070 1.00 1.00 C ATOM 1189 C LEU A 81 74.333 -2.015 -11.986 1.00 1.00 C ATOM 1190 O LEU A 81 73.297 -1.386 -12.072 1.00 1.00 O ATOM 1191 CB LEU A 81 73.507 -3.685 -13.656 1.00 1.00 C ATOM 1192 CG LEU A 81 73.845 -4.296 -15.017 1.00 1.00 C ATOM 1193 CD1 LEU A 81 74.122 -3.178 -16.024 1.00 1.00 C ATOM 1194 CD2 LEU A 81 75.087 -5.179 -14.884 1.00 1.00 C ATOM 0 H LEU A 81 75.177 -4.907 -12.185 1.00 1.00 H new ATOM 0 HA LEU A 81 75.286 -2.488 -13.864 1.00 1.00 H new ATOM 0 HB2 LEU A 81 73.147 -4.459 -12.978 1.00 1.00 H new ATOM 0 HB3 LEU A 81 72.703 -2.956 -13.763 1.00 1.00 H new ATOM 0 HG LEU A 81 73.005 -4.898 -15.364 1.00 1.00 H new ATOM 0 HD11 LEU A 81 74.363 -3.613 -16.994 1.00 1.00 H new ATOM 0 HD12 LEU A 81 73.239 -2.547 -16.119 1.00 1.00 H new ATOM 0 HD13 LEU A 81 74.962 -2.576 -15.678 1.00 1.00 H new ATOM 0 HD21 LEU A 81 75.329 -5.615 -15.853 1.00 1.00 H new ATOM 0 HD22 LEU A 81 75.927 -4.576 -14.538 1.00 1.00 H new ATOM 0 HD23 LEU A 81 74.892 -5.976 -14.166 1.00 1.00 H new ATOM 1206 N ALA A 82 75.128 -1.876 -10.960 1.00 1.00 N ATOM 1207 CA ALA A 82 74.778 -0.932 -9.860 1.00 1.00 C ATOM 1208 C ALA A 82 74.765 0.511 -10.378 1.00 1.00 C ATOM 1209 O ALA A 82 74.828 1.451 -9.610 1.00 1.00 O ATOM 1210 CB ALA A 82 75.812 -1.060 -8.740 1.00 1.00 C ATOM 0 HA ALA A 82 73.786 -1.179 -9.482 1.00 1.00 H new ATOM 0 HB1 ALA A 82 75.561 -0.372 -7.933 1.00 1.00 H new ATOM 0 HB2 ALA A 82 75.812 -2.081 -8.359 1.00 1.00 H new ATOM 0 HB3 ALA A 82 76.801 -0.818 -9.129 1.00 1.00 H new ATOM 1216 N GLN A 83 74.679 0.702 -11.668 1.00 1.00 N ATOM 1217 CA GLN A 83 74.658 2.092 -12.211 1.00 1.00 C ATOM 1218 C GLN A 83 73.647 2.925 -11.417 1.00 1.00 C ATOM 1219 O GLN A 83 73.998 3.887 -10.763 1.00 1.00 O ATOM 1220 CB GLN A 83 74.253 2.058 -13.693 1.00 1.00 C ATOM 1221 CG GLN A 83 75.509 2.069 -14.567 1.00 1.00 C ATOM 1222 CD GLN A 83 76.468 0.974 -14.096 1.00 1.00 C ATOM 1223 OE1 GLN A 83 76.027 -0.246 -13.954 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 77.631 1.231 -13.855 1.00 1.00 N flip ATOM 0 H GLN A 83 74.623 -0.040 -12.366 1.00 1.00 H new ATOM 0 HA GLN A 83 75.648 2.538 -12.121 1.00 1.00 H new ATOM 0 HB2 GLN A 83 73.662 1.166 -13.899 1.00 1.00 H new ATOM 0 HB3 GLN A 83 73.625 2.917 -13.929 1.00 1.00 H new ATOM 0 HG2 GLN A 83 75.240 1.907 -15.611 1.00 1.00 H new ATOM 0 HG3 GLN A 83 75.996 3.043 -14.510 1.00 1.00 H new ATOM 0 HE21 GLN A 83 77.976 2.184 -13.966 1.00 1.00 H new ATOM 0 HE22 GLN A 83 78.262 0.493 -13.542 1.00 1.00 H new ATOM 1233 N TYR A 84 72.396 2.557 -11.467 1.00 1.00 N ATOM 1234 CA TYR A 84 71.361 3.319 -10.712 1.00 1.00 C ATOM 1235 C TYR A 84 70.033 2.557 -10.768 1.00 1.00 C ATOM 1236 O TYR A 84 69.540 2.225 -11.827 1.00 1.00 O ATOM 1237 CB TYR A 84 71.196 4.716 -11.329 1.00 1.00 C ATOM 1238 CG TYR A 84 70.193 4.657 -12.456 1.00 1.00 C ATOM 1239 CD1 TYR A 84 68.832 4.858 -12.194 1.00 1.00 C ATOM 1240 CD2 TYR A 84 70.623 4.401 -13.763 1.00 1.00 C ATOM 1241 CE1 TYR A 84 67.902 4.804 -13.238 1.00 1.00 C ATOM 1242 CE2 TYR A 84 69.693 4.347 -14.808 1.00 1.00 C ATOM 1243 CZ TYR A 84 68.333 4.548 -14.546 1.00 1.00 C ATOM 1244 OH TYR A 84 67.416 4.494 -15.576 1.00 1.00 O ATOM 0 H TYR A 84 72.045 1.760 -11.999 1.00 1.00 H new ATOM 0 HA TYR A 84 71.669 3.428 -9.672 1.00 1.00 H new ATOM 0 HB2 TYR A 84 70.863 5.423 -10.569 1.00 1.00 H new ATOM 0 HB3 TYR A 84 72.155 5.076 -11.701 1.00 1.00 H new ATOM 0 HD1 TYR A 84 68.500 5.055 -11.185 1.00 1.00 H new ATOM 0 HD2 TYR A 84 71.672 4.245 -13.965 1.00 1.00 H new ATOM 0 HE1 TYR A 84 66.853 4.960 -13.036 1.00 1.00 H new ATOM 0 HE2 TYR A 84 70.025 4.150 -15.817 1.00 1.00 H new ATOM 0 HH TYR A 84 67.881 4.308 -16.418 1.00 1.00 H new ATOM 1254 N GLY A 85 69.456 2.275 -9.633 1.00 1.00 N ATOM 1255 CA GLY A 85 68.164 1.531 -9.615 1.00 1.00 C ATOM 1256 C GLY A 85 68.048 0.755 -8.303 1.00 1.00 C ATOM 1257 O GLY A 85 67.024 0.772 -7.648 1.00 1.00 O ATOM 0 H GLY A 85 69.823 2.528 -8.716 1.00 1.00 H new ATOM 0 HA2 GLY A 85 67.330 2.225 -9.716 1.00 1.00 H new ATOM 0 HA3 GLY A 85 68.113 0.847 -10.462 1.00 1.00 H new ATOM 1261 N ILE A 86 69.092 0.076 -7.909 1.00 1.00 N ATOM 1262 CA ILE A 86 69.042 -0.696 -6.634 1.00 1.00 C ATOM 1263 C ILE A 86 70.464 -0.912 -6.109 1.00 1.00 C ATOM 1264 O ILE A 86 70.853 -2.009 -5.763 1.00 1.00 O ATOM 1265 CB ILE A 86 68.364 -2.049 -6.879 1.00 1.00 C ATOM 1266 CG1 ILE A 86 68.082 -2.727 -5.536 1.00 1.00 C ATOM 1267 CG2 ILE A 86 69.286 -2.939 -7.715 1.00 1.00 C ATOM 1268 CD1 ILE A 86 67.040 -3.830 -5.730 1.00 1.00 C ATOM 0 H ILE A 86 69.976 0.023 -8.414 1.00 1.00 H new ATOM 0 HA ILE A 86 68.469 -0.138 -5.893 1.00 1.00 H new ATOM 0 HB ILE A 86 67.427 -1.894 -7.414 1.00 1.00 H new ATOM 0 HG12 ILE A 86 69.001 -3.148 -5.129 1.00 1.00 H new ATOM 0 HG13 ILE A 86 67.721 -1.994 -4.815 1.00 1.00 H new ATOM 0 HG21 ILE A 86 68.804 -3.901 -7.889 1.00 1.00 H new ATOM 0 HG22 ILE A 86 69.489 -2.456 -8.671 1.00 1.00 H new ATOM 0 HG23 ILE A 86 70.224 -3.095 -7.181 1.00 1.00 H new ATOM 0 HD11 ILE A 86 66.839 -4.313 -4.774 1.00 1.00 H new ATOM 0 HD12 ILE A 86 66.119 -3.396 -6.118 1.00 1.00 H new ATOM 0 HD13 ILE A 86 67.419 -4.568 -6.437 1.00 1.00 H new ATOM 1280 N CYS A 87 71.242 0.130 -6.041 1.00 1.00 N ATOM 1281 CA CYS A 87 72.634 -0.014 -5.530 1.00 1.00 C ATOM 1282 C CYS A 87 72.597 -0.669 -4.147 1.00 1.00 C ATOM 1283 CB CYS A 87 73.287 1.371 -5.435 1.00 1.00 C ATOM 1284 SG CYS A 87 74.370 1.433 -3.986 1.00 1.00 S ATOM 0 H CYS A 87 70.976 1.075 -6.317 1.00 1.00 H new ATOM 0 HA CYS A 87 73.215 -0.638 -6.209 1.00 1.00 H new ATOM 0 HB2 CYS A 87 73.860 1.577 -6.339 1.00 1.00 H new ATOM 0 HB3 CYS A 87 72.520 2.142 -5.362 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 59.046 -13.823 13.401 1.00 1.00 C HETATM 1291 O1G RCY A 110 58.379 -11.458 12.141 1.00 1.00 O HETATM 1292 O1H RCY A 110 58.204 -13.707 7.992 1.00 1.00 O HETATM 1293 O1J RCY A 110 61.336 -15.755 13.709 1.00 1.00 O HETATM 1294 C1L RCY A 110 57.408 -10.890 9.968 1.00 1.00 C HETATM 1295 C1M RCY A 110 60.581 -14.612 10.128 1.00 1.00 C HETATM 1296 C1P RCY A 110 58.194 -11.755 10.961 1.00 1.00 C HETATM 1297 C1Q RCY A 110 58.309 -12.832 8.851 1.00 1.00 C HETATM 1298 N1R RCY A 110 58.719 -13.031 10.305 1.00 1.00 N HETATM 1299 C1S RCY A 110 58.052 -11.349 8.655 1.00 1.00 C HETATM 1300 C1U RCY A 110 59.464 -14.209 10.934 1.00 1.00 C HETATM 1301 C1V RCY A 110 60.903 -12.567 12.217 1.00 1.00 C HETATM 1302 N1V RCY A 110 61.016 -15.056 12.468 1.00 1.00 N HETATM 1303 C1W RCY A 110 61.536 -15.361 11.064 1.00 1.00 C HETATM 1304 C1X RCY A 110 60.091 -13.862 12.284 1.00 1.00 C HETATM 1305 C1Y RCY A 110 62.968 -14.844 10.900 1.00 1.00 C HETATM 1306 C1Z RCY A 110 61.478 -16.870 10.826 1.00 1.00 C HETATM 0 H1ZB RCY A 110 60.464 -17.228 11.007 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 61.761 -17.087 9.796 1.00 1.00 H new HETATM 0 H1YB RCY A 110 63.293 -14.994 9.871 1.00 1.00 H new HETATM 0 H1YA RCY A 110 63.001 -13.781 11.140 1.00 1.00 H new HETATM 0 H1VB RCY A 110 60.234 -11.727 12.029 1.00 1.00 H new HETATM 0 H1VA RCY A 110 61.421 -12.413 13.164 1.00 1.00 H new HETATM 0 H1MA RCY A 110 60.258 -15.253 9.308 1.00 1.00 H new HETATM 0 H1LA RCY A 110 56.337 -11.088 9.999 1.00 1.00 H new HETATM 0 H1CB RCY A 110 58.293 -13.069 13.169 1.00 1.00 H new HETATM 0 H1CA RCY A 110 58.568 -14.799 13.486 1.00 1.00 H new HETATM 0 H1Z RCY A 110 62.167 -17.372 11.505 1.00 1.00 H new HETATM 0 H1Y RCY A 110 63.631 -15.388 11.573 1.00 1.00 H new HETATM 0 H1V RCY A 110 61.633 -12.637 11.411 1.00 1.00 H new HETATM 0 H1U RCY A 110 58.705 -14.985 11.031 1.00 1.00 H new HETATM 0 H1S RCY A 110 58.978 -10.809 8.458 1.00 1.00 H new HETATM 0 H1M RCY A 110 61.072 -13.747 9.682 1.00 1.00 H new HETATM 0 H1L RCY A 110 57.541 -9.823 10.148 1.00 1.00 H new HETATM 0 H1C RCY A 110 59.531 -13.573 14.345 1.00 1.00 H new HETATM 1309 C1C RCY A 121 58.779 2.569 2.496 1.00 1.00 C HETATM 1310 O1G RCY A 121 58.341 4.908 4.081 1.00 1.00 O HETATM 1311 O1H RCY A 121 57.928 7.470 0.135 1.00 1.00 O HETATM 1312 O1J RCY A 121 58.523 0.860 0.029 1.00 1.00 O HETATM 1313 C1L RCY A 121 58.528 7.302 3.611 1.00 1.00 C HETATM 1314 C1M RCY A 121 57.749 4.588 -0.429 1.00 1.00 C HETATM 1315 C1P RCY A 121 58.330 5.822 3.258 1.00 1.00 C HETATM 1316 C1Q RCY A 121 58.313 7.038 1.220 1.00 1.00 C HETATM 1317 N1R RCY A 121 58.119 5.626 1.758 1.00 1.00 N HETATM 1318 C1S RCY A 121 59.075 7.819 2.276 1.00 1.00 C HETATM 1319 C1U RCY A 121 57.795 4.346 0.984 1.00 1.00 C HETATM 1320 C1V RCY A 121 60.271 3.827 0.878 1.00 1.00 C HETATM 1321 N1V RCY A 121 58.463 2.319 0.024 1.00 1.00 N HETATM 1322 C1W RCY A 121 57.979 3.229 -1.103 1.00 1.00 C HETATM 1323 C1X RCY A 121 58.870 3.271 1.140 1.00 1.00 C HETATM 1324 C1Y RCY A 121 59.045 3.344 -2.196 1.00 1.00 C HETATM 1325 C1Z RCY A 121 56.678 2.667 -1.677 1.00 1.00 C HETATM 0 H1ZB RCY A 121 55.952 2.537 -0.874 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 56.279 3.359 -2.419 1.00 1.00 H new HETATM 0 H1YB RCY A 121 58.718 4.061 -2.949 1.00 1.00 H new HETATM 0 H1YA RCY A 121 59.983 3.683 -1.756 1.00 1.00 H new HETATM 0 H1VB RCY A 121 60.527 4.549 1.654 1.00 1.00 H new HETATM 0 H1VA RCY A 121 60.994 3.011 0.889 1.00 1.00 H new HETATM 0 H1MA RCY A 121 56.787 5.010 -0.721 1.00 1.00 H new HETATM 0 H1LA RCY A 121 57.597 7.791 3.898 1.00 1.00 H new HETATM 0 H1CB RCY A 121 58.909 3.300 3.294 1.00 1.00 H new HETATM 0 H1CA RCY A 121 57.803 2.093 2.595 1.00 1.00 H new HETATM 0 H1Z RCY A 121 56.874 1.704 -2.148 1.00 1.00 H new HETATM 0 H1Y RCY A 121 59.194 2.370 -2.662 1.00 1.00 H new HETATM 0 H1V RCY A 121 60.292 4.317 -0.095 1.00 1.00 H new HETATM 0 H1U RCY A 121 56.839 4.019 1.393 1.00 1.00 H new HETATM 0 H1S RCY A 121 60.149 7.650 2.196 1.00 1.00 H new HETATM 0 H1M RCY A 121 58.514 5.305 -0.726 1.00 1.00 H new HETATM 0 H1L RCY A 121 59.230 7.445 4.433 1.00 1.00 H new HETATM 0 H1C RCY A 121 59.560 1.812 2.567 1.00 1.00 H new HETATM 1328 C1C RCY A 130 78.506 15.084 -11.918 1.00 1.00 C HETATM 1329 O1G RCY A 130 80.851 14.019 -7.393 1.00 1.00 O HETATM 1330 O1H RCY A 130 76.589 13.735 -9.408 1.00 1.00 O HETATM 1331 O1J RCY A 130 79.657 13.239 -14.001 1.00 1.00 O HETATM 1332 C1L RCY A 130 78.573 14.272 -6.536 1.00 1.00 C HETATM 1333 C1M RCY A 130 80.120 12.144 -10.355 1.00 1.00 C HETATM 1334 C1P RCY A 130 79.641 14.045 -7.613 1.00 1.00 C HETATM 1335 C1Q RCY A 130 77.538 14.092 -8.710 1.00 1.00 C HETATM 1336 N1R RCY A 130 79.015 13.854 -8.994 1.00 1.00 N HETATM 1337 C1S RCY A 130 77.449 14.854 -7.400 1.00 1.00 C HETATM 1338 C1U RCY A 130 79.689 13.512 -10.324 1.00 1.00 C HETATM 1339 C1V RCY A 130 77.425 12.885 -11.268 1.00 1.00 C HETATM 1340 N1V RCY A 130 79.557 12.910 -12.582 1.00 1.00 N HETATM 1341 C1W RCY A 130 80.247 11.769 -11.837 1.00 1.00 C HETATM 1342 C1X RCY A 130 78.740 13.627 -11.516 1.00 1.00 C HETATM 1343 C1Y RCY A 130 79.541 10.440 -12.119 1.00 1.00 C HETATM 1344 C1Z RCY A 130 81.712 11.704 -12.269 1.00 1.00 C HETATM 0 H1ZB RCY A 130 82.180 12.676 -12.116 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 82.233 10.953 -11.675 1.00 1.00 H new HETATM 0 H1LA RCY A 130 78.280 13.348 -6.037 1.00 1.00 H new HETATM 0 H1CB RCY A 130 78.069 15.627 -11.080 1.00 1.00 H new HETATM 0 H1CA RCY A 130 79.456 15.543 -12.192 1.00 1.00 H new HETATM 0 H1U RCY A 130 80.514 14.221 -10.397 1.00 1.00 H new HETATM 0 H1S RCY A 130 77.582 15.925 -7.555 1.00 1.00 H new HETATM 0 H1L RCY A 130 78.903 14.962 -5.760 1.00 1.00 H new HETATM 0 H1C RCY A 130 77.826 15.122 -12.769 1.00 1.00 H new HETATM 1347 C1C RCY A 138 79.668 3.583 -6.282 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.724 1.038 -7.784 1.00 1.00 O HETATM 1349 O1H RCY A 138 82.674 5.124 -5.661 1.00 1.00 O HETATM 1350 O1J RCY A 138 77.845 2.819 -8.555 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.802 2.327 -6.005 1.00 1.00 C HETATM 1352 C1M RCY A 138 81.605 2.537 -9.256 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.747 2.049 -7.083 1.00 1.00 C HETATM 1354 C1Q RCY A 138 83.288 4.199 -6.191 1.00 1.00 C HETATM 1355 N1R RCY A 138 82.727 3.183 -7.178 1.00 1.00 N HETATM 1356 C1S RCY A 138 84.752 3.859 -5.978 1.00 1.00 C HETATM 1357 C1U RCY A 138 81.466 3.283 -8.039 1.00 1.00 C HETATM 1358 C1V RCY A 138 80.528 1.263 -6.835 1.00 1.00 C HETATM 1359 N1V RCY A 138 79.288 2.598 -8.553 1.00 1.00 N HETATM 1360 C1W RCY A 138 80.180 2.244 -9.742 1.00 1.00 C HETATM 1361 C1X RCY A 138 80.240 2.668 -7.367 1.00 1.00 C HETATM 1362 C1Y RCY A 138 80.028 0.763 -10.103 1.00 1.00 C HETATM 1363 C1Z RCY A 138 79.804 3.129 -10.930 1.00 1.00 C HETATM 0 H1ZA RCY A 138 80.495 2.946 -11.753 1.00 1.00 H new HETATM 0 H1YB RCY A 138 80.731 0.508 -10.896 1.00 1.00 H new HETATM 0 H1VB RCY A 138 81.252 1.323 -6.023 1.00 1.00 H new HETATM 0 H1VA RCY A 138 79.604 0.818 -6.465 1.00 1.00 H new HETATM 0 H1MA RCY A 138 82.161 3.107 -10.001 1.00 1.00 H new HETATM 0 H1LA RCY A 138 84.543 1.884 -5.043 1.00 1.00 H new HETATM 0 H1CB RCY A 138 80.425 3.758 -5.518 1.00 1.00 H new HETATM 0 H1CA RCY A 138 79.374 4.534 -6.726 1.00 1.00 H new HETATM 0 H1Z RCY A 138 78.788 2.896 -11.250 1.00 1.00 H new HETATM 0 H1V RCY A 138 80.933 0.646 -7.637 1.00 1.00 H new HETATM 0 H1U RCY A 138 81.338 4.353 -8.206 1.00 1.00 H new HETATM 0 H1S RCY A 138 85.377 4.290 -6.760 1.00 1.00 H new HETATM 0 H1M RCY A 138 82.156 1.612 -9.085 1.00 1.00 H new HETATM 0 H1L RCY A 138 85.787 1.946 -6.277 1.00 1.00 H new HETATM 0 H1C RCY A 138 78.797 3.109 -5.828 1.00 1.00 H new HETATM 1366 C1C RCY A 150 83.438 1.887 2.652 1.00 1.00 C HETATM 1367 O1G RCY A 150 82.840 7.094 3.019 1.00 1.00 O HETATM 1368 O1H RCY A 150 83.575 2.727 4.659 1.00 1.00 O HETATM 1369 O1J RCY A 150 80.639 2.189 1.582 1.00 1.00 O HETATM 1370 C1L RCY A 150 82.657 6.087 5.242 1.00 1.00 C HETATM 1371 C1M RCY A 150 83.050 5.068 0.802 1.00 1.00 C HETATM 1372 C1P RCY A 150 82.912 6.092 3.729 1.00 1.00 C HETATM 1373 C1Q RCY A 150 83.097 3.844 4.464 1.00 1.00 C HETATM 1374 N1R RCY A 150 83.265 4.698 3.213 1.00 1.00 N HETATM 1375 C1S RCY A 150 82.228 4.628 5.430 1.00 1.00 C HETATM 1376 C1U RCY A 150 83.681 4.261 1.807 1.00 1.00 C HETATM 1377 C1V RCY A 150 83.902 2.319 0.197 1.00 1.00 C HETATM 1378 N1V RCY A 150 81.749 3.071 1.232 1.00 1.00 N HETATM 1379 C1W RCY A 150 81.678 4.433 0.544 1.00 1.00 C HETATM 1380 C1X RCY A 150 83.234 2.839 1.472 1.00 1.00 C HETATM 1381 C1Y RCY A 150 81.438 4.262 -0.959 1.00 1.00 C HETATM 1382 C1Z RCY A 150 80.556 5.257 1.178 1.00 1.00 C HETATM 0 H1ZB RCY A 150 80.713 5.317 2.255 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 80.558 6.261 0.754 1.00 1.00 H new HETATM 0 H1YB RCY A 150 81.473 5.236 -1.446 1.00 1.00 H new HETATM 0 H1YA RCY A 150 82.210 3.618 -1.380 1.00 1.00 H new HETATM 0 H1VB RCY A 150 84.973 2.210 0.366 1.00 1.00 H new HETATM 0 H1VA RCY A 150 83.476 1.351 -0.068 1.00 1.00 H new HETATM 0 H1MA RCY A 150 82.945 6.099 1.140 1.00 1.00 H new HETATM 0 H1LA RCY A 150 83.549 6.337 5.817 1.00 1.00 H new HETATM 0 H1CB RCY A 150 84.494 1.860 2.919 1.00 1.00 H new HETATM 0 H1CA RCY A 150 82.857 2.236 3.506 1.00 1.00 H new HETATM 0 H1Z RCY A 150 79.596 4.780 0.977 1.00 1.00 H new HETATM 0 H1Y RCY A 150 80.460 3.810 -1.122 1.00 1.00 H new HETATM 0 H1V RCY A 150 83.733 3.025 -0.616 1.00 1.00 H new HETATM 0 H1U RCY A 150 84.767 4.351 1.808 1.00 1.00 H new HETATM 0 H1S RCY A 150 81.169 4.495 5.208 1.00 1.00 H new HETATM 0 H1M RCY A 150 83.646 5.091 -0.110 1.00 1.00 H new HETATM 0 H1L RCY A 150 81.880 6.792 5.537 1.00 1.00 H new HETATM 0 H1C RCY A 150 83.108 0.886 2.373 1.00 1.00 H new HETATM 1385 C1C RCY A 160 75.014 6.928 5.360 1.00 1.00 C HETATM 1386 O1G RCY A 160 71.875 8.190 9.562 1.00 1.00 O HETATM 1387 O1H RCY A 160 76.272 8.264 7.841 1.00 1.00 O HETATM 1388 O1J RCY A 160 73.648 8.231 3.014 1.00 1.00 O HETATM 1389 C1L RCY A 160 74.085 8.203 10.613 1.00 1.00 C HETATM 1390 C1M RCY A 160 72.454 9.353 6.481 1.00 1.00 C HETATM 1391 C1P RCY A 160 73.098 8.174 9.438 1.00 1.00 C HETATM 1392 C1Q RCY A 160 75.282 8.008 8.525 1.00 1.00 C HETATM 1393 N1R RCY A 160 73.825 8.123 8.095 1.00 1.00 N HETATM 1394 C1S RCY A 160 75.289 7.515 9.961 1.00 1.00 C HETATM 1395 C1U RCY A 160 73.249 8.175 6.679 1.00 1.00 C HETATM 1396 C1V RCY A 160 75.339 9.381 5.912 1.00 1.00 C HETATM 1397 N1V RCY A 160 73.478 8.657 4.400 1.00 1.00 N HETATM 1398 C1W RCY A 160 72.406 9.587 4.966 1.00 1.00 C HETATM 1399 C1X RCY A 160 74.329 8.274 5.603 1.00 1.00 C HETATM 1400 C1Y RCY A 160 72.734 11.046 4.636 1.00 1.00 C HETATM 1401 C1Z RCY A 160 71.047 9.196 4.386 1.00 1.00 C HETATM 0 H1ZB RCY A 160 70.859 8.140 4.579 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 70.266 9.795 4.854 1.00 1.00 H new HETATM 0 H1YB RCY A 160 72.007 11.700 5.118 1.00 1.00 H new HETATM 0 H1YA RCY A 160 73.734 11.285 4.999 1.00 1.00 H new HETATM 0 H1VB RCY A 160 75.903 9.119 6.807 1.00 1.00 H new HETATM 0 H1VA RCY A 160 76.024 9.494 5.071 1.00 1.00 H new HETATM 0 H1MA RCY A 160 71.451 9.218 6.886 1.00 1.00 H new HETATM 0 H1LA RCY A 160 74.312 9.217 10.943 1.00 1.00 H new HETATM 0 H1CB RCY A 160 75.482 6.586 6.283 1.00 1.00 H new HETATM 0 H1CA RCY A 160 74.274 6.197 5.035 1.00 1.00 H new HETATM 0 H1Z RCY A 160 71.046 9.374 3.311 1.00 1.00 H new HETATM 0 H1Y RCY A 160 72.695 11.193 3.557 1.00 1.00 H new HETATM 0 H1V RCY A 160 74.811 10.320 6.078 1.00 1.00 H new HETATM 0 H1U RCY A 160 72.676 7.252 6.589 1.00 1.00 H new HETATM 0 H1S RCY A 160 75.198 6.430 10.008 1.00 1.00 H new HETATM 0 H1M RCY A 160 72.892 10.209 6.993 1.00 1.00 H new HETATM 0 H1L RCY A 160 73.715 7.660 11.483 1.00 1.00 H new HETATM 0 H1C RCY A 160 75.775 7.041 4.588 1.00 1.00 H new HETATM 1404 C1C RCY A 168 69.969 1.373 3.045 1.00 1.00 C HETATM 1405 O1G RCY A 168 69.797 -0.413 5.032 1.00 1.00 O HETATM 1406 O1H RCY A 168 74.283 0.226 6.360 1.00 1.00 O HETATM 1407 O1J RCY A 168 71.366 2.980 0.914 1.00 1.00 O HETATM 1408 C1L RCY A 168 71.206 -1.465 6.733 1.00 1.00 C HETATM 1409 C1M RCY A 168 73.608 1.569 3.687 1.00 1.00 C HETATM 1410 C1P RCY A 168 70.898 -0.512 5.572 1.00 1.00 C HETATM 1411 C1Q RCY A 168 73.209 -0.293 6.064 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.128 0.301 5.169 1.00 1.00 N HETATM 1413 C1S RCY A 168 72.714 -1.652 6.525 1.00 1.00 C HETATM 1414 C1U RCY A 168 72.253 1.422 4.136 1.00 1.00 C HETATM 1415 C1V RCY A 168 71.764 -0.258 2.306 1.00 1.00 C HETATM 1416 N1V RCY A 168 72.058 2.202 1.938 1.00 1.00 N HETATM 1417 C1W RCY A 168 73.533 2.273 2.326 1.00 1.00 C HETATM 1418 C1X RCY A 168 71.469 1.139 2.856 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.395 1.541 1.294 1.00 1.00 C HETATM 1420 C1Z RCY A 168 73.952 3.739 2.435 1.00 1.00 C HETATM 0 H1ZB RCY A 168 73.290 4.256 3.129 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 74.978 3.798 2.800 1.00 1.00 H new HETATM 0 H1YB RCY A 168 75.432 1.529 1.629 1.00 1.00 H new HETATM 0 H1YA RCY A 168 74.038 0.517 1.182 1.00 1.00 H new HETATM 0 H1VB RCY A 168 71.386 -1.009 3.000 1.00 1.00 H new HETATM 0 H1VA RCY A 168 71.276 -0.379 1.339 1.00 1.00 H new HETATM 0 H1MA RCY A 168 74.192 2.155 4.397 1.00 1.00 H new HETATM 0 H1LA RCY A 168 70.969 -1.030 7.704 1.00 1.00 H new HETATM 0 H1CB RCY A 168 69.594 0.714 3.828 1.00 1.00 H new HETATM 0 H1CA RCY A 168 69.796 2.411 3.330 1.00 1.00 H new HETATM 0 H1Z RCY A 168 73.888 4.210 1.454 1.00 1.00 H new HETATM 0 H1Y RCY A 168 74.329 2.055 0.335 1.00 1.00 H new HETATM 0 H1V RCY A 168 72.840 -0.382 2.187 1.00 1.00 H new HETATM 0 H1U RCY A 168 71.875 2.305 4.651 1.00 1.00 H new HETATM 0 H1S RCY A 168 72.919 -2.422 5.781 1.00 1.00 H new HETATM 0 H1M RCY A 168 74.096 0.598 3.597 1.00 1.00 H new HETATM 0 H1L RCY A 168 70.655 -2.403 6.661 1.00 1.00 H new HETATM 0 H1C RCY A 168 69.447 1.161 2.112 1.00 1.00 H new HETATM 1423 C1C RCY A 173 73.340 -1.232 2.289 1.00 1.00 C HETATM 1424 O1G RCY A 173 69.725 -1.754 -0.091 1.00 1.00 O HETATM 1425 O1H RCY A 173 74.047 -3.655 -0.055 1.00 1.00 O HETATM 1426 O1J RCY A 173 75.931 -2.128 1.043 1.00 1.00 O HETATM 1427 C1L RCY A 173 70.540 -4.061 -0.104 1.00 1.00 C HETATM 1428 C1M RCY A 173 73.459 -0.379 -1.310 1.00 1.00 C HETATM 1429 C1P RCY A 173 70.676 -2.533 -0.119 1.00 1.00 C HETATM 1430 C1Q RCY A 173 72.863 -3.434 -0.304 1.00 1.00 C HETATM 1431 N1R RCY A 173 72.140 -2.100 -0.172 1.00 1.00 N HETATM 1432 C1S RCY A 173 71.849 -4.448 -0.801 1.00 1.00 C HETATM 1433 C1U RCY A 173 72.737 -0.692 -0.110 1.00 1.00 C HETATM 1434 C1V RCY A 173 74.143 0.929 1.234 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.951 -1.279 0.371 1.00 1.00 N HETATM 1436 C1W RCY A 173 74.874 -0.938 -1.115 1.00 1.00 C HETATM 1437 C1X RCY A 173 73.778 -0.538 0.997 1.00 1.00 C HETATM 1438 C1Y RCY A 173 75.924 0.117 -1.478 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.086 -2.212 -1.933 1.00 1.00 C HETATM 0 H1ZB RCY A 173 74.368 -2.970 -1.619 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 74.943 -1.993 -2.991 1.00 1.00 H new HETATM 0 H1YB RCY A 173 75.800 0.410 -2.521 1.00 1.00 H new HETATM 0 H1YA RCY A 173 75.798 0.991 -0.839 1.00 1.00 H new HETATM 0 H1VB RCY A 173 73.277 1.460 1.630 1.00 1.00 H new HETATM 0 H1VA RCY A 173 74.964 0.989 1.949 1.00 1.00 H new HETATM 0 H1MA RCY A 173 72.980 -0.827 -2.181 1.00 1.00 H new HETATM 0 H1LA RCY A 173 70.470 -4.464 0.906 1.00 1.00 H new HETATM 0 H1CB RCY A 173 72.404 -0.796 2.637 1.00 1.00 H new HETATM 0 H1CA RCY A 173 73.197 -2.296 2.100 1.00 1.00 H new HETATM 0 H1Z RCY A 173 76.098 -2.583 -1.773 1.00 1.00 H new HETATM 0 H1Y RCY A 173 76.922 -0.298 -1.333 1.00 1.00 H new HETATM 0 H1V RCY A 173 74.448 1.385 0.292 1.00 1.00 H new HETATM 0 H1U RCY A 173 71.878 -0.042 0.054 1.00 1.00 H new HETATM 0 H1S RCY A 173 71.747 -4.408 -1.886 1.00 1.00 H new HETATM 0 H1M RCY A 173 73.485 0.697 -1.479 1.00 1.00 H new HETATM 0 H1L RCY A 173 69.660 -4.407 -0.647 1.00 1.00 H new HETATM 0 H1C RCY A 173 74.108 -1.099 3.052 1.00 1.00 H new HETATM 1442 C1C RCY A 176 77.465 -4.411 3.523 1.00 1.00 C HETATM 1443 O1G RCY A 176 78.151 -8.652 0.794 1.00 1.00 O HETATM 1444 O1H RCY A 176 78.499 -3.997 0.078 1.00 1.00 O HETATM 1445 O1J RCY A 176 79.684 -4.129 5.540 1.00 1.00 O HETATM 1446 C1L RCY A 176 77.632 -7.207 -1.111 1.00 1.00 C HETATM 1447 C1M RCY A 176 80.464 -6.314 2.486 1.00 1.00 C HETATM 1448 C1P RCY A 176 78.090 -7.519 0.320 1.00 1.00 C HETATM 1449 C1Q RCY A 176 78.093 -5.158 0.080 1.00 1.00 C HETATM 1450 N1R RCY A 176 78.459 -6.247 1.081 1.00 1.00 N HETATM 1451 C1S RCY A 176 77.130 -5.772 -0.919 1.00 1.00 C HETATM 1452 C1U RCY A 176 79.046 -6.094 2.486 1.00 1.00 C HETATM 1453 C1V RCY A 176 79.367 -3.622 2.044 1.00 1.00 C HETATM 1454 N1V RCY A 176 79.844 -4.751 4.228 1.00 1.00 N HETATM 1455 C1W RCY A 176 81.005 -5.616 3.740 1.00 1.00 C HETATM 1456 C1X RCY A 176 78.892 -4.680 3.042 1.00 1.00 C HETATM 1457 C1Y RCY A 176 82.214 -4.744 3.392 1.00 1.00 C HETATM 1458 C1Z RCY A 176 81.366 -6.628 4.827 1.00 1.00 C HETATM 0 H1ZB RCY A 176 80.479 -7.197 5.103 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 82.131 -7.308 4.452 1.00 1.00 H new HETATM 0 H1YB RCY A 176 83.001 -5.367 2.967 1.00 1.00 H new HETATM 0 H1YA RCY A 176 81.919 -3.986 2.666 1.00 1.00 H new HETATM 0 H1VB RCY A 176 78.709 -3.620 1.175 1.00 1.00 H new HETATM 0 H1VA RCY A 176 79.346 -2.640 2.517 1.00 1.00 H new HETATM 0 H1MA RCY A 176 80.693 -7.380 2.504 1.00 1.00 H new HETATM 0 H1LA RCY A 176 78.446 -7.271 -1.833 1.00 1.00 H new HETATM 0 H1CB RCY A 176 76.772 -4.528 2.690 1.00 1.00 H new HETATM 0 H1CA RCY A 176 77.207 -5.118 4.311 1.00 1.00 H new HETATM 0 H1Z RCY A 176 81.746 -6.102 5.702 1.00 1.00 H new HETATM 0 H1Y RCY A 176 82.583 -4.257 4.295 1.00 1.00 H new HETATM 0 H1V RCY A 176 80.385 -3.851 1.728 1.00 1.00 H new HETATM 0 H1U RCY A 176 78.500 -6.822 3.086 1.00 1.00 H new HETATM 0 H1S RCY A 176 76.107 -5.757 -0.543 1.00 1.00 H new HETATM 0 H1M RCY A 176 80.921 -5.905 1.585 1.00 1.00 H new HETATM 0 H1L RCY A 176 76.847 -7.881 -1.454 1.00 1.00 H new HETATM 0 H1C RCY A 176 77.397 -3.395 3.911 1.00 1.00 H new HETATM 1461 C1C RCY A 187 76.195 -0.074 -9.207 1.00 1.00 C HETATM 1462 O1G RCY A 187 77.219 -2.807 -4.545 1.00 1.00 O HETATM 1463 O1H RCY A 187 74.784 0.538 -6.821 1.00 1.00 O HETATM 1464 O1J RCY A 187 76.463 -2.279 -11.240 1.00 1.00 O HETATM 1465 C1L RCY A 187 75.817 -0.949 -3.790 1.00 1.00 C HETATM 1466 C1M RCY A 187 76.597 -3.366 -7.565 1.00 1.00 C HETATM 1467 C1P RCY A 187 76.534 -1.824 -4.825 1.00 1.00 C HETATM 1468 C1Q RCY A 187 75.495 -0.049 -6.007 1.00 1.00 C HETATM 1469 N1R RCY A 187 76.292 -1.324 -6.248 1.00 1.00 N HETATM 1470 C1S RCY A 187 75.741 0.369 -4.568 1.00 1.00 C HETATM 1471 C1U RCY A 187 76.732 -1.938 -7.579 1.00 1.00 C HETATM 1472 C1V RCY A 187 74.369 -1.660 -8.446 1.00 1.00 C HETATM 1473 N1V RCY A 187 76.294 -2.504 -9.808 1.00 1.00 N HETATM 1474 C1W RCY A 187 76.515 -3.802 -9.034 1.00 1.00 C HETATM 1475 C1X RCY A 187 75.859 -1.496 -8.753 1.00 1.00 C HETATM 1476 C1Y RCY A 187 75.338 -4.759 -9.247 1.00 1.00 C HETATM 1477 C1Z RCY A 187 77.822 -4.445 -9.496 1.00 1.00 C HETATM 0 H1ZA RCY A 187 78.031 -5.323 -8.885 1.00 1.00 H new HETATM 0 H1YB RCY A 187 75.470 -5.643 -8.623 1.00 1.00 H new HETATM 0 H1YA RCY A 187 74.409 -4.259 -8.975 1.00 1.00 H new HETATM 0 H1VB RCY A 187 74.083 -0.972 -7.651 1.00 1.00 H new HETATM 0 H1MA RCY A 187 77.447 -3.833 -7.067 1.00 1.00 H new HETATM 0 H1LA RCY A 187 74.832 -1.336 -3.527 1.00 1.00 H new HETATM 0 H1CA RCY A 187 77.238 -0.029 -9.521 1.00 1.00 H new HETATM 0 H1Y RCY A 187 75.296 -5.057 -10.295 1.00 1.00 H new HETATM 0 H1V RCY A 187 74.174 -2.684 -8.127 1.00 1.00 H new HETATM 0 H1U RCY A 187 77.764 -1.608 -7.700 1.00 1.00 H new HETATM 0 H1S RCY A 187 76.665 0.939 -4.473 1.00 1.00 H new HETATM 0 H1M RCY A 187 75.703 -3.667 -7.019 1.00 1.00 H new HETATM 0 H1L RCY A 187 76.381 -0.854 -2.862 1.00 1.00 H new