USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, 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 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1S : A 110 RCY C1S : A 9 GLU O :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1CB : A 121 RCY C1C : A 17 MET CG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1CA : A 121 RCY C1C : A 17 MET CB :(H bumps) USER MOD NoAdj-H: A 121 RCY H1C : A 121 RCY C1C : A 17 MET CG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(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 RCYH1MA : A 138 RCY C1M : A 42 PRO C :(H bumps) USER MOD NoAdj-H: A 138 RCY H1U : A 138 RCY C1U : A 42 PRO C :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VB : A 150 RCY C1V : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VA : A 150 RCY C1V : A 187 RCY C1W :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CB : A 150 RCY C1C : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCY H1V : A 150 RCY C1V : A 187 RCY O1J :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1LA : A 160 RCY C1L : A 59 GLY O :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CB : A 168 RCY C1C : A 67 ILE CD1 :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Y : A 168 RCY C1Y : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 168 RCY O1J :(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 168 RCY C1Y :(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 RCYH1CA : A 187 RCY C1C : A 150 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Z : A 187 RCY C1Z : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCY H1C : A 187 RCY C1C : A 150 RCY C1M :(H bumps) USER MOD Set 1.1: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 40 SER OG : rot 5:sc= 1.08 USER MOD Set 2.1: A 32 GLN : amide:sc= 0.0569 K(o=-1,f=-6.2!) USER MOD Set 2.2: A 35 THR OG1 : rot -9:sc= -1.11! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.137 (180deg=-0.247) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.327 F(o=-6.8!,f=-0.33) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 162:sc= -4.53! (180deg=-5.68!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.899 USER MOD Single : A 25 LYS NZ :NH3+ -163:sc=-0.00157 (180deg=-0.0818) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= -0.128 (180deg=-1.08) USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= -0.0286 (180deg=-0.353) USER MOD Single : A 34 GLN :FLIP amide:sc= -3.02 F(o=-4.6!,f=-3) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= -0.261 (180deg=-1.12) USER MOD Single : A 44 LYS NZ :NH3+ 172:sc= -4.66! (180deg=-5.62!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -2.36! C(o=-2.4!,f=-5.5!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 108:sc= -2.22! USER MOD Single : A 65 THR OG1 : rot 87:sc= 0.0999 USER MOD Single : A 74 ASN : amide:sc= -1.64! C(o=-1.6!,f=-7!) USER MOD Single : A 75 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-0.87) USER MOD Single : A 79 HIS : no HE2:sc= -2.62! C(o=-2.6!,f=-4.4!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 61.599 -16.239 6.004 1.00 1.00 N ATOM 2 CA MET A 1 61.458 -15.680 4.631 1.00 1.00 C ATOM 3 C MET A 1 61.493 -16.819 3.610 1.00 1.00 C ATOM 4 O MET A 1 61.108 -16.653 2.469 1.00 1.00 O ATOM 5 CB MET A 1 62.609 -14.711 4.354 1.00 1.00 C ATOM 6 CG MET A 1 62.436 -14.095 2.964 1.00 1.00 C ATOM 7 SD MET A 1 63.516 -12.652 2.805 1.00 1.00 S ATOM 8 CE MET A 1 62.361 -11.430 3.474 1.00 1.00 C ATOM 0 H1 MET A 1 61.524 -15.471 6.701 1.00 1.00 H new ATOM 0 H2 MET A 1 60.846 -16.936 6.174 1.00 1.00 H new ATOM 0 H3 MET A 1 62.526 -16.702 6.097 1.00 1.00 H new ATOM 0 HA MET A 1 60.509 -15.149 4.551 1.00 1.00 H new ATOM 0 HB2 MET A 1 62.628 -13.927 5.111 1.00 1.00 H new ATOM 0 HB3 MET A 1 63.562 -15.236 4.415 1.00 1.00 H new ATOM 0 HG2 MET A 1 62.678 -14.830 2.196 1.00 1.00 H new ATOM 0 HG3 MET A 1 61.397 -13.804 2.810 1.00 1.00 H new ATOM 0 HE1 MET A 1 62.830 -10.446 3.470 1.00 1.00 H new ATOM 0 HE2 MET A 1 61.461 -11.406 2.860 1.00 1.00 H new ATOM 0 HE3 MET A 1 62.096 -11.701 4.496 1.00 1.00 H new ATOM 17 N ASN A 2 61.952 -17.975 4.013 1.00 1.00 N ATOM 18 CA ASN A 2 62.017 -19.133 3.072 1.00 1.00 C ATOM 19 C ASN A 2 61.175 -20.284 3.626 1.00 1.00 C ATOM 20 O ASN A 2 60.245 -20.078 4.379 1.00 1.00 O ATOM 21 CB ASN A 2 63.471 -19.591 2.931 1.00 1.00 C ATOM 22 CG ASN A 2 63.977 -20.109 4.278 1.00 1.00 C ATOM 23 OD1 ASN A 2 63.292 -19.857 5.360 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 65.007 -20.750 4.348 1.00 1.00 N flip ATOM 0 H ASN A 2 62.286 -18.168 4.957 1.00 1.00 H new ATOM 0 HA ASN A 2 61.632 -18.834 2.097 1.00 1.00 H new ATOM 0 HB2 ASN A 2 63.545 -20.375 2.177 1.00 1.00 H new ATOM 0 HB3 ASN A 2 64.093 -18.763 2.591 1.00 1.00 H new ATOM 0 HD21 ASN A 2 65.543 -20.948 3.503 1.00 1.00 H new ATOM 0 HD22 ASN A 2 65.335 -21.090 5.252 1.00 1.00 H new ATOM 31 N LEU A 3 61.497 -21.495 3.260 1.00 1.00 N ATOM 32 CA LEU A 3 60.719 -22.662 3.765 1.00 1.00 C ATOM 33 C LEU A 3 59.343 -22.693 3.091 1.00 1.00 C ATOM 34 O LEU A 3 58.962 -23.672 2.481 1.00 1.00 O ATOM 35 CB LEU A 3 60.549 -22.544 5.286 1.00 1.00 C ATOM 36 CG LEU A 3 60.484 -23.942 5.903 1.00 1.00 C ATOM 37 CD1 LEU A 3 60.322 -23.824 7.420 1.00 1.00 C ATOM 38 CD2 LEU A 3 59.289 -24.700 5.322 1.00 1.00 C ATOM 0 H LEU A 3 62.267 -21.727 2.632 1.00 1.00 H new ATOM 0 HA LEU A 3 61.253 -23.583 3.532 1.00 1.00 H new ATOM 0 HB2 LEU A 3 61.381 -21.985 5.713 1.00 1.00 H new ATOM 0 HB3 LEU A 3 59.640 -21.990 5.519 1.00 1.00 H new ATOM 0 HG LEU A 3 61.404 -24.482 5.676 1.00 1.00 H new ATOM 0 HD11 LEU A 3 60.276 -24.820 7.860 1.00 1.00 H new ATOM 0 HD12 LEU A 3 61.172 -23.283 7.836 1.00 1.00 H new ATOM 0 HD13 LEU A 3 59.403 -23.284 7.647 1.00 1.00 H new ATOM 0 HD21 LEU A 3 59.242 -25.697 5.761 1.00 1.00 H new ATOM 0 HD22 LEU A 3 58.370 -24.160 5.549 1.00 1.00 H new ATOM 0 HD23 LEU A 3 59.402 -24.785 4.241 1.00 1.00 H new ATOM 50 N GLU A 4 58.593 -21.629 3.198 1.00 1.00 N ATOM 51 CA GLU A 4 57.243 -21.601 2.566 1.00 1.00 C ATOM 52 C GLU A 4 57.372 -21.151 1.105 1.00 1.00 C ATOM 53 O GLU A 4 58.235 -20.364 0.770 1.00 1.00 O ATOM 54 CB GLU A 4 56.350 -20.616 3.324 1.00 1.00 C ATOM 55 CG GLU A 4 56.970 -19.218 3.270 1.00 1.00 C ATOM 56 CD GLU A 4 56.189 -18.277 4.188 1.00 1.00 C ATOM 57 OE1 GLU A 4 54.994 -18.480 4.334 1.00 1.00 O ATOM 58 OE2 GLU A 4 56.797 -17.369 4.730 1.00 1.00 O ATOM 0 H GLU A 4 58.857 -20.779 3.696 1.00 1.00 H new ATOM 0 HA GLU A 4 56.802 -22.597 2.602 1.00 1.00 H new ATOM 0 HB2 GLU A 4 55.353 -20.600 2.884 1.00 1.00 H new ATOM 0 HB3 GLU A 4 56.236 -20.935 4.360 1.00 1.00 H new ATOM 0 HG2 GLU A 4 58.015 -19.260 3.579 1.00 1.00 H new ATOM 0 HG3 GLU A 4 56.955 -18.841 2.247 1.00 1.00 H new ATOM 65 N PRO A 5 56.518 -21.641 0.239 1.00 1.00 N ATOM 66 CA PRO A 5 56.539 -21.275 -1.204 1.00 1.00 C ATOM 67 C PRO A 5 56.835 -19.780 -1.419 1.00 1.00 C ATOM 68 O PRO A 5 56.095 -18.932 -0.963 1.00 1.00 O ATOM 69 CB PRO A 5 55.121 -21.609 -1.669 1.00 1.00 C ATOM 70 CG PRO A 5 54.676 -22.729 -0.786 1.00 1.00 C ATOM 71 CD PRO A 5 55.437 -22.593 0.539 1.00 1.00 C ATOM 0 HA PRO A 5 57.319 -21.803 -1.751 1.00 1.00 H new ATOM 0 HB2 PRO A 5 54.462 -20.746 -1.574 1.00 1.00 H new ATOM 0 HB3 PRO A 5 55.110 -21.905 -2.718 1.00 1.00 H new ATOM 0 HG2 PRO A 5 53.600 -22.682 -0.618 1.00 1.00 H new ATOM 0 HG3 PRO A 5 54.884 -23.692 -1.252 1.00 1.00 H new ATOM 0 HD2 PRO A 5 54.790 -22.223 1.334 1.00 1.00 H new ATOM 0 HD3 PRO A 5 55.833 -23.553 0.871 1.00 1.00 H new ATOM 79 N PRO A 6 57.905 -19.454 -2.106 1.00 1.00 N ATOM 80 CA PRO A 6 58.279 -18.035 -2.370 1.00 1.00 C ATOM 81 C PRO A 6 57.459 -17.423 -3.512 1.00 1.00 C ATOM 82 O PRO A 6 57.095 -18.097 -4.456 1.00 1.00 O ATOM 83 CB PRO A 6 59.757 -18.124 -2.754 1.00 1.00 C ATOM 84 CG PRO A 6 59.916 -19.481 -3.360 1.00 1.00 C ATOM 85 CD PRO A 6 58.872 -20.391 -2.702 1.00 1.00 C ATOM 0 HA PRO A 6 58.089 -17.393 -1.510 1.00 1.00 H new ATOM 0 HB2 PRO A 6 60.029 -17.341 -3.462 1.00 1.00 H new ATOM 0 HB3 PRO A 6 60.400 -18.003 -1.882 1.00 1.00 H new ATOM 0 HG2 PRO A 6 59.768 -19.441 -4.439 1.00 1.00 H new ATOM 0 HG3 PRO A 6 60.923 -19.863 -3.191 1.00 1.00 H new ATOM 0 HD2 PRO A 6 58.396 -21.045 -3.433 1.00 1.00 H new ATOM 0 HD3 PRO A 6 59.323 -21.033 -1.946 1.00 1.00 H new ATOM 93 N LYS A 7 57.167 -16.151 -3.432 1.00 1.00 N ATOM 94 CA LYS A 7 56.372 -15.491 -4.511 1.00 1.00 C ATOM 95 C LYS A 7 56.987 -14.128 -4.837 1.00 1.00 C ATOM 96 O LYS A 7 58.191 -13.970 -4.871 1.00 1.00 O ATOM 97 CB LYS A 7 54.928 -15.294 -4.039 1.00 1.00 C ATOM 98 CG LYS A 7 54.364 -16.624 -3.535 1.00 1.00 C ATOM 99 CD LYS A 7 54.520 -16.702 -2.015 1.00 1.00 C ATOM 100 CE LYS A 7 53.576 -15.697 -1.352 1.00 1.00 C ATOM 101 NZ LYS A 7 53.033 -16.282 -0.093 1.00 1.00 N ATOM 0 H LYS A 7 57.445 -15.539 -2.665 1.00 1.00 H new ATOM 0 HA LYS A 7 56.381 -16.120 -5.401 1.00 1.00 H new ATOM 0 HB2 LYS A 7 54.894 -14.549 -3.244 1.00 1.00 H new ATOM 0 HB3 LYS A 7 54.316 -14.915 -4.858 1.00 1.00 H new ATOM 0 HG2 LYS A 7 53.312 -16.712 -3.808 1.00 1.00 H new ATOM 0 HG3 LYS A 7 54.887 -17.455 -4.008 1.00 1.00 H new ATOM 0 HD2 LYS A 7 54.297 -17.711 -1.667 1.00 1.00 H new ATOM 0 HD3 LYS A 7 55.551 -16.489 -1.733 1.00 1.00 H new ATOM 0 HE2 LYS A 7 54.108 -14.770 -1.135 1.00 1.00 H new ATOM 0 HE3 LYS A 7 52.761 -15.446 -2.030 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 52.391 -15.599 0.358 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 52.512 -17.155 -0.312 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 53.817 -16.501 0.555 1.00 1.00 H new ATOM 115 N ALA A 8 56.166 -13.141 -5.078 1.00 1.00 N ATOM 116 CA ALA A 8 56.700 -11.788 -5.404 1.00 1.00 C ATOM 117 C ALA A 8 57.332 -11.171 -4.154 1.00 1.00 C ATOM 118 O ALA A 8 57.860 -10.078 -4.195 1.00 1.00 O ATOM 119 CB ALA A 8 55.558 -10.895 -5.892 1.00 1.00 C ATOM 0 H ALA A 8 55.149 -13.214 -5.063 1.00 1.00 H new ATOM 0 HA ALA A 8 57.455 -11.874 -6.186 1.00 1.00 H new ATOM 0 HB1 ALA A 8 55.947 -9.905 -6.131 1.00 1.00 H new ATOM 0 HB2 ALA A 8 55.109 -11.333 -6.783 1.00 1.00 H new ATOM 0 HB3 ALA A 8 54.803 -10.809 -5.110 1.00 1.00 H new ATOM 125 N GLU A 9 57.280 -11.868 -3.047 1.00 1.00 N ATOM 126 CA GLU A 9 57.872 -11.341 -1.777 1.00 1.00 C ATOM 127 C GLU A 9 57.773 -9.813 -1.734 1.00 1.00 C ATOM 128 O GLU A 9 58.761 -9.120 -1.592 1.00 1.00 O ATOM 129 CB GLU A 9 59.342 -11.765 -1.677 1.00 1.00 C ATOM 130 CG GLU A 9 60.073 -11.394 -2.969 1.00 1.00 C ATOM 131 CD GLU A 9 61.575 -11.622 -2.790 1.00 1.00 C ATOM 132 OE1 GLU A 9 61.958 -12.116 -1.742 1.00 1.00 O ATOM 133 OE2 GLU A 9 62.316 -11.299 -3.703 1.00 1.00 O ATOM 0 H GLU A 9 56.849 -12.789 -2.967 1.00 1.00 H new ATOM 0 HA GLU A 9 57.316 -11.753 -0.935 1.00 1.00 H new ATOM 0 HB2 GLU A 9 59.815 -11.275 -0.826 1.00 1.00 H new ATOM 0 HB3 GLU A 9 59.410 -12.839 -1.504 1.00 1.00 H new ATOM 0 HG2 GLU A 9 59.699 -11.997 -3.797 1.00 1.00 H new ATOM 0 HG3 GLU A 9 59.880 -10.351 -3.222 1.00 1.00 H new ATOM 140 N CYS A 10 56.586 -9.282 -1.854 1.00 1.00 N ATOM 141 CA CYS A 10 56.422 -7.801 -1.818 1.00 1.00 C ATOM 142 C CYS A 10 55.024 -7.455 -1.301 1.00 1.00 C ATOM 143 O CYS A 10 54.774 -6.358 -0.844 1.00 1.00 O ATOM 144 CB CYS A 10 56.600 -7.234 -3.229 1.00 1.00 C ATOM 145 SG CYS A 10 58.365 -7.103 -3.610 1.00 1.00 S ATOM 0 H CYS A 10 55.722 -9.811 -1.976 1.00 1.00 H new ATOM 0 HA CYS A 10 57.171 -7.368 -1.155 1.00 1.00 H new ATOM 0 HB2 CYS A 10 56.107 -7.879 -3.956 1.00 1.00 H new ATOM 0 HB3 CYS A 10 56.128 -6.254 -3.301 1.00 1.00 H new ATOM 150 N ARG A 11 54.110 -8.384 -1.370 1.00 1.00 N ATOM 151 CA ARG A 11 52.728 -8.108 -0.884 1.00 1.00 C ATOM 152 C ARG A 11 52.771 -7.777 0.610 1.00 1.00 C ATOM 153 O ARG A 11 53.539 -8.345 1.360 1.00 1.00 O ATOM 154 CB ARG A 11 51.851 -9.344 -1.111 1.00 1.00 C ATOM 155 CG ARG A 11 51.434 -9.414 -2.581 1.00 1.00 C ATOM 156 CD ARG A 11 50.150 -8.608 -2.787 1.00 1.00 C ATOM 157 NE ARG A 11 49.049 -9.213 -1.987 1.00 1.00 N ATOM 158 CZ ARG A 11 47.833 -8.752 -2.095 1.00 1.00 C ATOM 159 NH1 ARG A 11 47.582 -7.760 -2.905 1.00 1.00 N ATOM 160 NH2 ARG A 11 46.869 -9.283 -1.394 1.00 1.00 N ATOM 0 H ARG A 11 54.260 -9.322 -1.742 1.00 1.00 H new ATOM 0 HA ARG A 11 52.311 -7.263 -1.431 1.00 1.00 H new ATOM 0 HB2 ARG A 11 52.397 -10.246 -0.834 1.00 1.00 H new ATOM 0 HB3 ARG A 11 50.968 -9.298 -0.474 1.00 1.00 H new ATOM 0 HG2 ARG A 11 52.229 -9.020 -3.214 1.00 1.00 H new ATOM 0 HG3 ARG A 11 51.276 -10.451 -2.876 1.00 1.00 H new ATOM 0 HD2 ARG A 11 50.306 -7.572 -2.485 1.00 1.00 H new ATOM 0 HD3 ARG A 11 49.882 -8.595 -3.843 1.00 1.00 H new ATOM 0 HE ARG A 11 49.246 -9.988 -1.354 1.00 1.00 H new ATOM 0 HH11 ARG A 11 48.336 -7.346 -3.453 1.00 1.00 H new ATOM 0 HH12 ARG A 11 46.632 -7.399 -2.990 1.00 1.00 H new ATOM 0 HH21 ARG A 11 47.066 -10.059 -0.761 1.00 1.00 H new ATOM 0 HH22 ARG A 11 45.919 -8.922 -1.479 1.00 1.00 H new ATOM 174 N SER A 12 51.951 -6.861 1.046 1.00 1.00 N ATOM 175 CA SER A 12 51.944 -6.493 2.490 1.00 1.00 C ATOM 176 C SER A 12 51.870 -7.761 3.342 1.00 1.00 C ATOM 177 O SER A 12 50.817 -8.341 3.519 1.00 1.00 O ATOM 178 CB SER A 12 50.733 -5.608 2.786 1.00 1.00 C ATOM 179 OG SER A 12 50.940 -4.323 2.217 1.00 1.00 O ATOM 0 H SER A 12 51.285 -6.351 0.465 1.00 1.00 H new ATOM 0 HA SER A 12 52.858 -5.949 2.729 1.00 1.00 H new ATOM 0 HB2 SER A 12 49.830 -6.059 2.375 1.00 1.00 H new ATOM 0 HB3 SER A 12 50.585 -5.522 3.863 1.00 1.00 H new ATOM 0 HG SER A 12 50.164 -3.754 2.404 1.00 1.00 H new ATOM 185 N ALA A 13 52.983 -8.194 3.872 1.00 1.00 N ATOM 186 CA ALA A 13 52.990 -9.424 4.719 1.00 1.00 C ATOM 187 C ALA A 13 53.764 -9.140 6.007 1.00 1.00 C ATOM 188 O ALA A 13 53.928 -9.999 6.850 1.00 1.00 O ATOM 189 CB ALA A 13 53.667 -10.565 3.956 1.00 1.00 C ATOM 0 H ALA A 13 53.892 -7.747 3.754 1.00 1.00 H new ATOM 0 HA ALA A 13 51.967 -9.710 4.961 1.00 1.00 H new ATOM 0 HB1 ALA A 13 53.672 -11.463 4.574 1.00 1.00 H new ATOM 0 HB2 ALA A 13 53.119 -10.762 3.034 1.00 1.00 H new ATOM 0 HB3 ALA A 13 54.692 -10.284 3.716 1.00 1.00 H new ATOM 195 N THR A 14 54.241 -7.936 6.162 1.00 1.00 N ATOM 196 CA THR A 14 55.006 -7.584 7.391 1.00 1.00 C ATOM 197 C THR A 14 55.083 -6.058 7.509 1.00 1.00 C ATOM 198 O THR A 14 54.375 -5.339 6.833 1.00 1.00 O ATOM 199 CB THR A 14 56.422 -8.176 7.298 1.00 1.00 C ATOM 200 OG1 THR A 14 56.600 -8.774 6.022 1.00 1.00 O ATOM 201 CG2 THR A 14 56.609 -9.231 8.389 1.00 1.00 C ATOM 0 H THR A 14 54.133 -7.178 5.488 1.00 1.00 H new ATOM 0 HA THR A 14 54.508 -7.992 8.271 1.00 1.00 H new ATOM 0 HB THR A 14 57.157 -7.383 7.434 1.00 1.00 H new ATOM 0 HG21 THR A 14 57.613 -9.650 8.322 1.00 1.00 H new ATOM 0 HG22 THR A 14 56.472 -8.771 9.368 1.00 1.00 H new ATOM 0 HG23 THR A 14 55.875 -10.026 8.256 1.00 1.00 H new ATOM 209 N ARG A 15 55.936 -5.558 8.361 1.00 1.00 N ATOM 210 CA ARG A 15 56.054 -4.080 8.515 1.00 1.00 C ATOM 211 C ARG A 15 57.493 -3.718 8.888 1.00 1.00 C ATOM 212 O ARG A 15 58.151 -4.426 9.625 1.00 1.00 O ATOM 213 CB ARG A 15 55.106 -3.604 9.618 1.00 1.00 C ATOM 214 CG ARG A 15 55.468 -4.292 10.936 1.00 1.00 C ATOM 215 CD ARG A 15 54.342 -4.079 11.950 1.00 1.00 C ATOM 216 NE ARG A 15 53.065 -4.606 11.393 1.00 1.00 N ATOM 217 CZ ARG A 15 52.880 -5.894 11.293 1.00 1.00 C ATOM 218 NH1 ARG A 15 53.813 -6.720 11.681 1.00 1.00 N ATOM 219 NH2 ARG A 15 51.761 -6.356 10.805 1.00 1.00 N ATOM 0 H ARG A 15 56.555 -6.108 8.956 1.00 1.00 H new ATOM 0 HA ARG A 15 55.790 -3.596 7.575 1.00 1.00 H new ATOM 0 HB2 ARG A 15 55.175 -2.522 9.730 1.00 1.00 H new ATOM 0 HB3 ARG A 15 54.075 -3.831 9.348 1.00 1.00 H new ATOM 0 HG2 ARG A 15 55.626 -5.358 10.771 1.00 1.00 H new ATOM 0 HG3 ARG A 15 56.403 -3.888 11.325 1.00 1.00 H new ATOM 0 HD2 ARG A 15 54.580 -4.586 12.885 1.00 1.00 H new ATOM 0 HD3 ARG A 15 54.241 -3.018 12.179 1.00 1.00 H new ATOM 0 HE ARG A 15 52.336 -3.961 11.090 1.00 1.00 H new ATOM 0 HH11 ARG A 15 54.687 -6.359 12.063 1.00 1.00 H new ATOM 0 HH12 ARG A 15 53.668 -7.727 11.603 1.00 1.00 H new ATOM 0 HH21 ARG A 15 51.032 -5.710 10.502 1.00 1.00 H new ATOM 0 HH22 ARG A 15 51.616 -7.363 10.727 1.00 1.00 H new ATOM 233 N VAL A 16 57.986 -2.620 8.384 1.00 1.00 N ATOM 234 CA VAL A 16 59.383 -2.210 8.707 1.00 1.00 C ATOM 235 C VAL A 16 59.478 -0.683 8.700 1.00 1.00 C ATOM 236 O VAL A 16 60.078 -0.085 9.571 1.00 1.00 O ATOM 237 CB VAL A 16 60.338 -2.785 7.659 1.00 1.00 C ATOM 238 CG1 VAL A 16 59.946 -2.270 6.273 1.00 1.00 C ATOM 239 CG2 VAL A 16 61.768 -2.345 7.979 1.00 1.00 C ATOM 0 H VAL A 16 57.482 -1.988 7.762 1.00 1.00 H new ATOM 0 HA VAL A 16 59.655 -2.588 9.692 1.00 1.00 H new ATOM 0 HB VAL A 16 60.279 -3.873 7.672 1.00 1.00 H new ATOM 0 HG11 VAL A 16 60.627 -2.680 5.527 1.00 1.00 H new ATOM 0 HG12 VAL A 16 58.927 -2.581 6.044 1.00 1.00 H new ATOM 0 HG13 VAL A 16 60.005 -1.182 6.259 1.00 1.00 H new ATOM 0 HG21 VAL A 16 62.450 -2.754 7.233 1.00 1.00 H new ATOM 0 HG22 VAL A 16 61.825 -1.257 7.965 1.00 1.00 H new ATOM 0 HG23 VAL A 16 62.049 -2.711 8.967 1.00 1.00 H new ATOM 249 N MET A 17 58.889 -0.046 7.724 1.00 1.00 N ATOM 250 CA MET A 17 58.944 1.444 7.661 1.00 1.00 C ATOM 251 C MET A 17 57.691 2.028 8.317 1.00 1.00 C ATOM 252 O MET A 17 56.604 1.503 8.178 1.00 1.00 O ATOM 253 CB MET A 17 59.011 1.892 6.197 1.00 1.00 C ATOM 254 CG MET A 17 57.839 1.291 5.419 1.00 1.00 C ATOM 255 SD MET A 17 56.820 2.623 4.738 1.00 1.00 S ATOM 256 CE MET A 17 57.997 3.190 3.485 1.00 1.00 C ATOM 0 H MET A 17 58.372 -0.493 6.967 1.00 1.00 H new ATOM 0 HA MET A 17 59.829 1.798 8.189 1.00 1.00 H new ATOM 0 HB2 MET A 17 58.979 2.980 6.138 1.00 1.00 H new ATOM 0 HB3 MET A 17 59.955 1.576 5.753 1.00 1.00 H new ATOM 0 HG2 MET A 17 58.210 0.655 4.615 1.00 1.00 H new ATOM 0 HG3 MET A 17 57.240 0.659 6.074 1.00 1.00 H new ATOM 0 HE1 MET A 17 57.474 3.787 2.738 1.00 1.00 H new ATOM 0 HE2 MET A 17 58.769 3.796 3.959 1.00 1.00 H new ATOM 0 HE3 MET A 17 58.458 2.328 3.002 1.00 1.00 H new ATOM 266 N GLY A 18 57.833 3.112 9.029 1.00 1.00 N ATOM 267 CA GLY A 18 56.649 3.728 9.692 1.00 1.00 C ATOM 268 C GLY A 18 57.115 4.678 10.797 1.00 1.00 C ATOM 269 O GLY A 18 57.589 5.765 10.536 1.00 1.00 O ATOM 0 H GLY A 18 58.717 3.598 9.180 1.00 1.00 H new ATOM 0 HA2 GLY A 18 56.051 4.271 8.960 1.00 1.00 H new ATOM 0 HA3 GLY A 18 56.010 2.951 10.112 1.00 1.00 H new ATOM 273 N GLY A 19 56.981 4.276 12.032 1.00 1.00 N ATOM 274 CA GLY A 19 57.414 5.156 13.156 1.00 1.00 C ATOM 275 C GLY A 19 58.887 4.894 13.478 1.00 1.00 C ATOM 276 O GLY A 19 59.714 5.781 13.397 1.00 1.00 O ATOM 0 H GLY A 19 56.590 3.376 12.312 1.00 1.00 H new ATOM 0 HA2 GLY A 19 57.271 6.203 12.887 1.00 1.00 H new ATOM 0 HA3 GLY A 19 56.800 4.966 14.036 1.00 1.00 H new ATOM 280 N PRO A 20 59.209 3.682 13.842 1.00 1.00 N ATOM 281 CA PRO A 20 60.605 3.287 14.187 1.00 1.00 C ATOM 282 C PRO A 20 61.622 3.792 13.158 1.00 1.00 C ATOM 283 O PRO A 20 62.630 4.376 13.502 1.00 1.00 O ATOM 284 CB PRO A 20 60.556 1.758 14.193 1.00 1.00 C ATOM 285 CG PRO A 20 59.140 1.415 14.519 1.00 1.00 C ATOM 286 CD PRO A 20 58.275 2.551 13.967 1.00 1.00 C ATOM 0 HA PRO A 20 60.927 3.715 15.137 1.00 1.00 H new ATOM 0 HB2 PRO A 20 60.847 1.351 13.225 1.00 1.00 H new ATOM 0 HB3 PRO A 20 61.242 1.345 14.932 1.00 1.00 H new ATOM 0 HG2 PRO A 20 58.859 0.462 14.071 1.00 1.00 H new ATOM 0 HG3 PRO A 20 59.004 1.313 15.596 1.00 1.00 H new ATOM 0 HD2 PRO A 20 57.837 2.287 13.005 1.00 1.00 H new ATOM 0 HD3 PRO A 20 57.450 2.787 14.639 1.00 1.00 H new ATOM 294 N CYS A 21 61.364 3.572 11.897 1.00 1.00 N ATOM 295 CA CYS A 21 62.316 4.039 10.849 1.00 1.00 C ATOM 296 C CYS A 21 61.934 5.453 10.406 1.00 1.00 C ATOM 297 O CYS A 21 61.074 5.642 9.569 1.00 1.00 O ATOM 298 CB CYS A 21 62.252 3.096 9.646 1.00 1.00 C ATOM 299 SG CYS A 21 63.693 3.372 8.586 1.00 1.00 S ATOM 0 H CYS A 21 60.536 3.090 11.548 1.00 1.00 H new ATOM 0 HA CYS A 21 63.328 4.045 11.255 1.00 1.00 H new ATOM 0 HB2 CYS A 21 62.228 2.060 9.983 1.00 1.00 H new ATOM 0 HB3 CYS A 21 61.335 3.269 9.083 1.00 1.00 H new ATOM 304 N THR A 22 62.569 6.450 10.960 1.00 1.00 N ATOM 305 CA THR A 22 62.244 7.850 10.568 1.00 1.00 C ATOM 306 C THR A 22 62.358 7.981 9.043 1.00 1.00 C ATOM 307 O THR A 22 63.195 7.351 8.428 1.00 1.00 O ATOM 308 CB THR A 22 63.234 8.805 11.244 1.00 1.00 C ATOM 309 OG1 THR A 22 62.918 10.143 10.886 1.00 1.00 O ATOM 310 CG2 THR A 22 64.657 8.475 10.789 1.00 1.00 C ATOM 0 H THR A 22 63.298 6.355 11.667 1.00 1.00 H new ATOM 0 HA THR A 22 61.230 8.100 10.881 1.00 1.00 H new ATOM 0 HB THR A 22 63.167 8.692 12.326 1.00 1.00 H new ATOM 0 HG1 THR A 22 63.549 10.755 11.319 1.00 1.00 H new ATOM 0 HG21 THR A 22 65.360 9.155 11.270 1.00 1.00 H new ATOM 0 HG22 THR A 22 64.898 7.448 11.065 1.00 1.00 H new ATOM 0 HG23 THR A 22 64.728 8.586 9.707 1.00 1.00 H new ATOM 318 N PRO A 23 61.525 8.789 8.433 1.00 1.00 N ATOM 319 CA PRO A 23 61.546 8.988 6.953 1.00 1.00 C ATOM 320 C PRO A 23 62.853 9.629 6.474 1.00 1.00 C ATOM 321 O PRO A 23 63.613 10.170 7.253 1.00 1.00 O ATOM 322 CB PRO A 23 60.353 9.916 6.680 1.00 1.00 C ATOM 323 CG PRO A 23 60.056 10.578 7.985 1.00 1.00 C ATOM 324 CD PRO A 23 60.483 9.599 9.081 1.00 1.00 C ATOM 0 HA PRO A 23 61.480 8.040 6.419 1.00 1.00 H new ATOM 0 HB2 PRO A 23 60.595 10.652 5.913 1.00 1.00 H new ATOM 0 HB3 PRO A 23 59.492 9.353 6.321 1.00 1.00 H new ATOM 0 HG2 PRO A 23 60.598 11.519 8.074 1.00 1.00 H new ATOM 0 HG3 PRO A 23 58.995 10.813 8.067 1.00 1.00 H new ATOM 0 HD2 PRO A 23 60.868 10.121 9.957 1.00 1.00 H new ATOM 0 HD3 PRO A 23 59.648 8.984 9.417 1.00 1.00 H new ATOM 332 N ARG A 24 63.119 9.570 5.196 1.00 1.00 N ATOM 333 CA ARG A 24 64.374 10.171 4.661 1.00 1.00 C ATOM 334 C ARG A 24 64.585 11.556 5.275 1.00 1.00 C ATOM 335 O ARG A 24 65.473 11.762 6.078 1.00 1.00 O ATOM 336 CB ARG A 24 64.266 10.299 3.138 1.00 1.00 C ATOM 337 CG ARG A 24 64.296 8.909 2.499 1.00 1.00 C ATOM 338 CD ARG A 24 65.569 8.757 1.665 1.00 1.00 C ATOM 339 NE ARG A 24 65.394 9.455 0.360 1.00 1.00 N ATOM 340 CZ ARG A 24 65.988 10.597 0.145 1.00 1.00 C ATOM 341 NH1 ARG A 24 66.736 11.128 1.074 1.00 1.00 N ATOM 342 NH2 ARG A 24 65.835 11.208 -0.998 1.00 1.00 N ATOM 0 H ARG A 24 62.519 9.130 4.498 1.00 1.00 H new ATOM 0 HA ARG A 24 65.219 9.532 4.916 1.00 1.00 H new ATOM 0 HB2 ARG A 24 63.342 10.812 2.871 1.00 1.00 H new ATOM 0 HB3 ARG A 24 65.088 10.903 2.755 1.00 1.00 H new ATOM 0 HG2 ARG A 24 64.261 8.141 3.272 1.00 1.00 H new ATOM 0 HG3 ARG A 24 63.417 8.768 1.870 1.00 1.00 H new ATOM 0 HD2 ARG A 24 66.420 9.175 2.202 1.00 1.00 H new ATOM 0 HD3 ARG A 24 65.784 7.701 1.499 1.00 1.00 H new ATOM 0 HE ARG A 24 64.810 9.040 -0.366 1.00 1.00 H new ATOM 0 HH11 ARG A 24 66.856 10.650 1.967 1.00 1.00 H new ATOM 0 HH12 ARG A 24 67.201 12.021 0.907 1.00 1.00 H new ATOM 0 HH21 ARG A 24 65.251 10.793 -1.724 1.00 1.00 H new ATOM 0 HH22 ARG A 24 66.300 12.101 -1.165 1.00 1.00 H new ATOM 356 N LYS A 25 63.774 12.505 4.904 1.00 1.00 N ATOM 357 CA LYS A 25 63.925 13.877 5.466 1.00 1.00 C ATOM 358 C LYS A 25 63.970 13.798 6.993 1.00 1.00 C ATOM 359 O LYS A 25 62.953 13.824 7.657 1.00 1.00 O ATOM 360 CB LYS A 25 62.738 14.740 5.029 1.00 1.00 C ATOM 361 CG LYS A 25 62.722 14.854 3.503 1.00 1.00 C ATOM 362 CD LYS A 25 63.623 16.011 3.068 1.00 1.00 C ATOM 363 CE LYS A 25 64.206 15.712 1.685 1.00 1.00 C ATOM 364 NZ LYS A 25 65.325 14.737 1.818 1.00 1.00 N ATOM 0 H LYS A 25 63.012 12.391 4.235 1.00 1.00 H new ATOM 0 HA LYS A 25 64.850 14.323 5.100 1.00 1.00 H new ATOM 0 HB2 LYS A 25 61.805 14.299 5.381 1.00 1.00 H new ATOM 0 HB3 LYS A 25 62.811 15.731 5.477 1.00 1.00 H new ATOM 0 HG2 LYS A 25 63.067 13.922 3.055 1.00 1.00 H new ATOM 0 HG3 LYS A 25 61.704 15.020 3.151 1.00 1.00 H new ATOM 0 HD2 LYS A 25 63.053 16.940 3.041 1.00 1.00 H new ATOM 0 HD3 LYS A 25 64.427 16.151 3.791 1.00 1.00 H new ATOM 0 HE2 LYS A 25 63.433 15.307 1.032 1.00 1.00 H new ATOM 0 HE3 LYS A 25 64.564 16.632 1.223 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 65.901 14.749 0.952 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 65.918 14.998 2.632 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 64.938 13.783 1.963 1.00 1.00 H new ATOM 378 N GLY A 26 65.144 13.698 7.555 1.00 1.00 N ATOM 379 CA GLY A 26 65.257 13.613 9.039 1.00 1.00 C ATOM 380 C GLY A 26 66.705 13.902 9.457 1.00 1.00 C ATOM 381 O GLY A 26 67.339 14.790 8.923 1.00 1.00 O ATOM 0 H GLY A 26 66.030 13.671 7.050 1.00 1.00 H new ATOM 0 HA2 GLY A 26 64.582 14.329 9.508 1.00 1.00 H new ATOM 0 HA3 GLY A 26 64.959 12.622 9.381 1.00 1.00 H new ATOM 385 N PRO A 27 67.230 13.162 10.405 1.00 1.00 N ATOM 386 CA PRO A 27 68.628 13.358 10.889 1.00 1.00 C ATOM 387 C PRO A 27 69.623 13.489 9.728 1.00 1.00 C ATOM 388 O PRO A 27 69.352 13.063 8.623 1.00 1.00 O ATOM 389 CB PRO A 27 68.907 12.092 11.704 1.00 1.00 C ATOM 390 CG PRO A 27 67.568 11.637 12.182 1.00 1.00 C ATOM 391 CD PRO A 27 66.553 12.066 11.118 1.00 1.00 C ATOM 0 HA PRO A 27 68.740 14.276 11.466 1.00 1.00 H new ATOM 0 HB2 PRO A 27 69.389 11.328 11.094 1.00 1.00 H new ATOM 0 HB3 PRO A 27 69.575 12.300 12.540 1.00 1.00 H new ATOM 0 HG2 PRO A 27 67.552 10.556 12.318 1.00 1.00 H new ATOM 0 HG3 PRO A 27 67.329 12.083 13.147 1.00 1.00 H new ATOM 0 HD2 PRO A 27 66.307 11.244 10.446 1.00 1.00 H new ATOM 0 HD3 PRO A 27 65.618 12.400 11.569 1.00 1.00 H new ATOM 399 N PRO A 28 70.767 14.075 9.975 1.00 1.00 N ATOM 400 CA PRO A 28 71.812 14.260 8.932 1.00 1.00 C ATOM 401 C PRO A 28 71.927 13.044 8.008 1.00 1.00 C ATOM 402 O PRO A 28 71.790 11.914 8.435 1.00 1.00 O ATOM 403 CB PRO A 28 73.090 14.451 9.748 1.00 1.00 C ATOM 404 CG PRO A 28 72.641 15.075 11.030 1.00 1.00 C ATOM 405 CD PRO A 28 71.196 14.623 11.272 1.00 1.00 C ATOM 0 HA PRO A 28 71.592 15.095 8.267 1.00 1.00 H new ATOM 0 HB2 PRO A 28 73.590 13.499 9.926 1.00 1.00 H new ATOM 0 HB3 PRO A 28 73.800 15.091 9.225 1.00 1.00 H new ATOM 0 HG2 PRO A 28 73.284 14.766 11.854 1.00 1.00 H new ATOM 0 HG3 PRO A 28 72.699 16.162 10.970 1.00 1.00 H new ATOM 0 HD2 PRO A 28 71.140 13.872 12.060 1.00 1.00 H new ATOM 0 HD3 PRO A 28 70.565 15.456 11.581 1.00 1.00 H new ATOM 413 N LYS A 29 72.173 13.266 6.746 1.00 1.00 N ATOM 414 CA LYS A 29 72.290 12.121 5.799 1.00 1.00 C ATOM 415 C LYS A 29 73.118 12.544 4.583 1.00 1.00 C ATOM 416 O LYS A 29 73.340 11.771 3.673 1.00 1.00 O ATOM 417 CB LYS A 29 70.890 11.695 5.344 1.00 1.00 C ATOM 418 CG LYS A 29 70.926 10.241 4.869 1.00 1.00 C ATOM 419 CD LYS A 29 69.644 9.924 4.098 1.00 1.00 C ATOM 420 CE LYS A 29 69.438 8.408 4.049 1.00 1.00 C ATOM 421 NZ LYS A 29 70.762 7.730 3.960 1.00 1.00 N ATOM 0 H LYS A 29 72.298 14.189 6.330 1.00 1.00 H new ATOM 0 HA LYS A 29 72.782 11.285 6.296 1.00 1.00 H new ATOM 0 HB2 LYS A 29 70.181 11.803 6.165 1.00 1.00 H new ATOM 0 HB3 LYS A 29 70.545 12.343 4.538 1.00 1.00 H new ATOM 0 HG2 LYS A 29 71.796 10.077 4.233 1.00 1.00 H new ATOM 0 HG3 LYS A 29 71.025 9.571 5.723 1.00 1.00 H new ATOM 0 HD2 LYS A 29 68.791 10.402 4.579 1.00 1.00 H new ATOM 0 HD3 LYS A 29 69.707 10.326 3.087 1.00 1.00 H new ATOM 0 HE2 LYS A 29 68.905 8.074 4.939 1.00 1.00 H new ATOM 0 HE3 LYS A 29 68.822 8.141 3.190 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 70.632 6.760 3.609 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 71.378 8.255 3.307 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 71.201 7.701 4.902 1.00 1.00 H new ATOM 435 N CYS A 30 73.577 13.766 4.560 1.00 1.00 N ATOM 436 CA CYS A 30 74.390 14.231 3.402 1.00 1.00 C ATOM 437 C CYS A 30 75.105 15.533 3.770 1.00 1.00 C ATOM 438 O CYS A 30 76.025 15.542 4.563 1.00 1.00 O ATOM 439 CB CYS A 30 73.475 14.472 2.199 1.00 1.00 C ATOM 440 SG CYS A 30 72.083 15.515 2.700 1.00 1.00 S ATOM 0 H CYS A 30 73.424 14.460 5.291 1.00 1.00 H new ATOM 0 HA CYS A 30 75.129 13.471 3.149 1.00 1.00 H new ATOM 0 HB2 CYS A 30 74.032 14.952 1.395 1.00 1.00 H new ATOM 0 HB3 CYS A 30 73.110 13.522 1.810 1.00 1.00 H new ATOM 445 N LYS A 31 74.693 16.631 3.195 1.00 1.00 N ATOM 446 CA LYS A 31 75.349 17.935 3.507 1.00 1.00 C ATOM 447 C LYS A 31 76.813 17.898 3.059 1.00 1.00 C ATOM 448 O LYS A 31 77.452 18.921 2.912 1.00 1.00 O ATOM 449 CB LYS A 31 75.283 18.199 5.015 1.00 1.00 C ATOM 450 CG LYS A 31 75.564 19.677 5.290 1.00 1.00 C ATOM 451 CD LYS A 31 74.253 20.464 5.245 1.00 1.00 C ATOM 452 CE LYS A 31 74.539 21.949 5.477 1.00 1.00 C ATOM 453 NZ LYS A 31 75.027 22.148 6.871 1.00 1.00 N ATOM 0 H LYS A 31 73.929 16.682 2.521 1.00 1.00 H new ATOM 0 HA LYS A 31 74.829 18.732 2.977 1.00 1.00 H new ATOM 0 HB2 LYS A 31 74.300 17.928 5.399 1.00 1.00 H new ATOM 0 HB3 LYS A 31 76.011 17.577 5.536 1.00 1.00 H new ATOM 0 HG2 LYS A 31 76.036 19.793 6.265 1.00 1.00 H new ATOM 0 HG3 LYS A 31 76.261 20.069 4.550 1.00 1.00 H new ATOM 0 HD2 LYS A 31 73.765 20.323 4.280 1.00 1.00 H new ATOM 0 HD3 LYS A 31 73.567 20.092 6.006 1.00 1.00 H new ATOM 0 HE2 LYS A 31 75.285 22.302 4.765 1.00 1.00 H new ATOM 0 HE3 LYS A 31 73.635 22.535 5.309 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 74.933 23.150 7.132 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 74.463 21.566 7.523 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 76.026 21.867 6.932 1.00 1.00 H new ATOM 467 N GLN A 32 77.347 16.728 2.842 1.00 1.00 N ATOM 468 CA GLN A 32 78.769 16.619 2.405 1.00 1.00 C ATOM 469 C GLN A 32 78.814 16.281 0.912 1.00 1.00 C ATOM 470 O GLN A 32 77.878 16.540 0.182 1.00 1.00 O ATOM 471 CB GLN A 32 79.460 15.509 3.210 1.00 1.00 C ATOM 472 CG GLN A 32 80.938 15.858 3.399 1.00 1.00 C ATOM 473 CD GLN A 32 81.724 14.587 3.728 1.00 1.00 C ATOM 474 OE1 GLN A 32 82.304 13.974 2.853 1.00 1.00 O ATOM 475 NE2 GLN A 32 81.770 14.164 4.961 1.00 1.00 N ATOM 0 H GLN A 32 76.859 15.839 2.949 1.00 1.00 H new ATOM 0 HA GLN A 32 79.284 17.564 2.576 1.00 1.00 H new ATOM 0 HB2 GLN A 32 78.976 15.394 4.180 1.00 1.00 H new ATOM 0 HB3 GLN A 32 79.364 14.555 2.691 1.00 1.00 H new ATOM 0 HG2 GLN A 32 81.333 16.318 2.493 1.00 1.00 H new ATOM 0 HG3 GLN A 32 81.051 16.586 4.202 1.00 1.00 H new ATOM 0 HE21 GLN A 32 81.283 14.678 5.695 1.00 1.00 H new ATOM 0 HE22 GLN A 32 82.293 13.319 5.191 1.00 1.00 H new ATOM 484 N ARG A 33 79.893 15.705 0.451 1.00 1.00 N ATOM 485 CA ARG A 33 79.985 15.356 -0.995 1.00 1.00 C ATOM 486 C ARG A 33 81.246 14.525 -1.253 1.00 1.00 C ATOM 487 O ARG A 33 81.404 13.936 -2.304 1.00 1.00 O ATOM 488 CB ARG A 33 80.044 16.638 -1.827 1.00 1.00 C ATOM 489 CG ARG A 33 81.254 17.471 -1.399 1.00 1.00 C ATOM 490 CD ARG A 33 81.118 18.891 -1.951 1.00 1.00 C ATOM 491 NE ARG A 33 82.426 19.595 -1.841 1.00 1.00 N ATOM 492 CZ ARG A 33 82.478 20.895 -1.938 1.00 1.00 C ATOM 493 NH1 ARG A 33 81.384 21.579 -2.131 1.00 1.00 N ATOM 494 NH2 ARG A 33 83.625 21.511 -1.841 1.00 1.00 N ATOM 0 H ARG A 33 80.710 15.463 1.011 1.00 1.00 H new ATOM 0 HA ARG A 33 79.107 14.775 -1.278 1.00 1.00 H new ATOM 0 HB2 ARG A 33 80.115 16.393 -2.887 1.00 1.00 H new ATOM 0 HB3 ARG A 33 79.128 17.213 -1.693 1.00 1.00 H new ATOM 0 HG2 ARG A 33 81.324 17.497 -0.312 1.00 1.00 H new ATOM 0 HG3 ARG A 33 82.172 17.013 -1.767 1.00 1.00 H new ATOM 0 HD2 ARG A 33 80.797 18.858 -2.992 1.00 1.00 H new ATOM 0 HD3 ARG A 33 80.352 19.436 -1.398 1.00 1.00 H new ATOM 0 HE ARG A 33 83.281 19.060 -1.690 1.00 1.00 H new ATOM 0 HH11 ARG A 33 80.488 21.097 -2.206 1.00 1.00 H new ATOM 0 HH12 ARG A 33 81.425 22.595 -2.207 1.00 1.00 H new ATOM 0 HH21 ARG A 33 84.480 20.976 -1.689 1.00 1.00 H new ATOM 0 HH22 ARG A 33 83.666 22.527 -1.917 1.00 1.00 H new ATOM 508 N GLN A 34 82.144 14.470 -0.308 1.00 1.00 N ATOM 509 CA GLN A 34 83.388 13.674 -0.515 1.00 1.00 C ATOM 510 C GLN A 34 84.199 13.640 0.782 1.00 1.00 C ATOM 511 O GLN A 34 84.729 14.642 1.220 1.00 1.00 O ATOM 512 CB GLN A 34 84.224 14.316 -1.627 1.00 1.00 C ATOM 513 CG GLN A 34 85.608 13.664 -1.669 1.00 1.00 C ATOM 514 CD GLN A 34 86.339 14.098 -2.940 1.00 1.00 C ATOM 515 OE1 GLN A 34 86.015 15.226 -3.512 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 87.214 13.405 -3.418 1.00 1.00 N flip ATOM 0 H GLN A 34 82.071 14.939 0.595 1.00 1.00 H new ATOM 0 HA GLN A 34 83.124 12.656 -0.800 1.00 1.00 H new ATOM 0 HB2 GLN A 34 83.724 14.195 -2.588 1.00 1.00 H new ATOM 0 HB3 GLN A 34 84.321 15.387 -1.451 1.00 1.00 H new ATOM 0 HG2 GLN A 34 86.184 13.952 -0.789 1.00 1.00 H new ATOM 0 HG3 GLN A 34 85.511 12.579 -1.645 1.00 1.00 H new ATOM 0 HE21 GLN A 34 87.468 12.524 -2.972 1.00 1.00 H new ATOM 0 HE22 GLN A 34 87.695 13.704 -4.266 1.00 1.00 H new ATOM 525 N THR A 35 84.309 12.491 1.394 1.00 1.00 N ATOM 526 CA THR A 35 85.096 12.391 2.656 1.00 1.00 C ATOM 527 C THR A 35 86.562 12.118 2.308 1.00 1.00 C ATOM 528 O THR A 35 87.257 12.978 1.803 1.00 1.00 O ATOM 529 CB THR A 35 84.543 11.247 3.513 1.00 1.00 C ATOM 530 OG1 THR A 35 83.159 11.461 3.748 1.00 1.00 O ATOM 531 CG2 THR A 35 85.288 11.200 4.848 1.00 1.00 C ATOM 0 H THR A 35 83.888 11.619 1.074 1.00 1.00 H new ATOM 0 HA THR A 35 85.021 13.323 3.216 1.00 1.00 H new ATOM 0 HB THR A 35 84.681 10.301 2.990 1.00 1.00 H new ATOM 0 HG1 THR A 35 82.909 12.356 3.436 1.00 1.00 H new ATOM 0 HG21 THR A 35 84.894 10.386 5.456 1.00 1.00 H new ATOM 0 HG22 THR A 35 86.350 11.036 4.666 1.00 1.00 H new ATOM 0 HG23 THR A 35 85.152 12.145 5.374 1.00 1.00 H new ATOM 539 N ARG A 36 87.040 10.930 2.564 1.00 1.00 N ATOM 540 CA ARG A 36 88.460 10.618 2.234 1.00 1.00 C ATOM 541 C ARG A 36 88.715 9.118 2.398 1.00 1.00 C ATOM 542 O ARG A 36 89.562 8.703 3.165 1.00 1.00 O ATOM 543 CB ARG A 36 89.389 11.401 3.167 1.00 1.00 C ATOM 544 CG ARG A 36 90.832 11.281 2.672 1.00 1.00 C ATOM 545 CD ARG A 36 91.666 12.428 3.246 1.00 1.00 C ATOM 546 NE ARG A 36 91.608 12.387 4.734 1.00 1.00 N ATOM 547 CZ ARG A 36 92.365 11.553 5.394 1.00 1.00 C ATOM 548 NH1 ARG A 36 93.173 10.755 4.750 1.00 1.00 N ATOM 549 NH2 ARG A 36 92.315 11.517 6.698 1.00 1.00 N ATOM 0 H ARG A 36 86.512 10.166 2.985 1.00 1.00 H new ATOM 0 HA ARG A 36 88.658 10.904 1.201 1.00 1.00 H new ATOM 0 HB2 ARG A 36 89.091 12.449 3.199 1.00 1.00 H new ATOM 0 HB3 ARG A 36 89.309 11.016 4.184 1.00 1.00 H new ATOM 0 HG2 ARG A 36 91.254 10.323 2.977 1.00 1.00 H new ATOM 0 HG3 ARG A 36 90.857 11.309 1.583 1.00 1.00 H new ATOM 0 HD2 ARG A 36 92.699 12.345 2.909 1.00 1.00 H new ATOM 0 HD3 ARG A 36 91.288 13.384 2.883 1.00 1.00 H new ATOM 0 HE ARG A 36 90.977 13.011 5.237 1.00 1.00 H new ATOM 0 HH11 ARG A 36 93.213 10.783 3.731 1.00 1.00 H new ATOM 0 HH12 ARG A 36 93.764 10.103 5.266 1.00 1.00 H new ATOM 0 HH21 ARG A 36 91.684 12.141 7.202 1.00 1.00 H new ATOM 0 HH22 ARG A 36 92.907 10.865 7.213 1.00 1.00 H new ATOM 563 N GLN A 37 87.996 8.302 1.677 1.00 1.00 N ATOM 564 CA GLN A 37 88.206 6.831 1.784 1.00 1.00 C ATOM 565 C GLN A 37 87.558 6.136 0.584 1.00 1.00 C ATOM 566 O GLN A 37 86.605 6.625 0.012 1.00 1.00 O ATOM 567 CB GLN A 37 87.578 6.307 3.079 1.00 1.00 C ATOM 568 CG GLN A 37 88.101 4.898 3.365 1.00 1.00 C ATOM 569 CD GLN A 37 87.556 4.414 4.711 1.00 1.00 C ATOM 570 OE1 GLN A 37 86.415 4.669 5.044 1.00 1.00 O ATOM 571 NE2 GLN A 37 88.328 3.722 5.503 1.00 1.00 N ATOM 0 H GLN A 37 87.272 8.591 1.019 1.00 1.00 H new ATOM 0 HA GLN A 37 89.276 6.621 1.795 1.00 1.00 H new ATOM 0 HB2 GLN A 37 87.820 6.972 3.908 1.00 1.00 H new ATOM 0 HB3 GLN A 37 86.492 6.292 2.989 1.00 1.00 H new ATOM 0 HG2 GLN A 37 87.795 4.217 2.571 1.00 1.00 H new ATOM 0 HG3 GLN A 37 89.191 4.900 3.381 1.00 1.00 H new ATOM 0 HE21 GLN A 37 89.285 3.508 5.223 1.00 1.00 H new ATOM 0 HE22 GLN A 37 87.974 3.395 6.402 1.00 1.00 H new ATOM 580 N CYS A 38 88.075 5.001 0.199 1.00 1.00 N ATOM 581 CA CYS A 38 87.501 4.267 -0.965 1.00 1.00 C ATOM 582 C CYS A 38 87.733 5.072 -2.245 1.00 1.00 C ATOM 583 O CYS A 38 86.830 5.275 -3.033 1.00 1.00 O ATOM 584 CB CYS A 38 85.998 4.062 -0.758 1.00 1.00 C ATOM 585 SG CYS A 38 85.666 3.747 0.993 1.00 1.00 S ATOM 0 H CYS A 38 88.874 4.548 0.643 1.00 1.00 H new ATOM 0 HA CYS A 38 87.989 3.296 -1.052 1.00 1.00 H new ATOM 0 HB2 CYS A 38 85.451 4.945 -1.090 1.00 1.00 H new ATOM 0 HB3 CYS A 38 85.648 3.225 -1.362 1.00 1.00 H new ATOM 590 N LYS A 39 88.936 5.527 -2.465 1.00 1.00 N ATOM 591 CA LYS A 39 89.221 6.311 -3.701 1.00 1.00 C ATOM 592 C LYS A 39 89.699 5.359 -4.800 1.00 1.00 C ATOM 593 O LYS A 39 90.323 5.765 -5.761 1.00 1.00 O ATOM 594 CB LYS A 39 90.307 7.355 -3.411 1.00 1.00 C ATOM 595 CG LYS A 39 91.308 6.788 -2.402 1.00 1.00 C ATOM 596 CD LYS A 39 91.884 5.475 -2.937 1.00 1.00 C ATOM 597 CE LYS A 39 93.171 5.137 -2.182 1.00 1.00 C ATOM 598 NZ LYS A 39 93.720 3.848 -2.689 1.00 1.00 N ATOM 0 H LYS A 39 89.733 5.390 -1.844 1.00 1.00 H new ATOM 0 HA LYS A 39 88.315 6.821 -4.029 1.00 1.00 H new ATOM 0 HB2 LYS A 39 90.820 7.627 -4.334 1.00 1.00 H new ATOM 0 HB3 LYS A 39 89.855 8.265 -3.017 1.00 1.00 H new ATOM 0 HG2 LYS A 39 92.110 7.505 -2.227 1.00 1.00 H new ATOM 0 HG3 LYS A 39 90.818 6.619 -1.443 1.00 1.00 H new ATOM 0 HD2 LYS A 39 91.158 4.671 -2.817 1.00 1.00 H new ATOM 0 HD3 LYS A 39 92.088 5.563 -4.004 1.00 1.00 H new ATOM 0 HE2 LYS A 39 93.903 5.934 -2.315 1.00 1.00 H new ATOM 0 HE3 LYS A 39 92.970 5.064 -1.113 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 94.595 3.618 -2.176 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 93.022 3.091 -2.541 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 93.927 3.934 -3.705 1.00 1.00 H new ATOM 612 N SER A 40 89.413 4.093 -4.663 1.00 1.00 N ATOM 613 CA SER A 40 89.851 3.110 -5.694 1.00 1.00 C ATOM 614 C SER A 40 88.980 1.855 -5.602 1.00 1.00 C ATOM 615 O SER A 40 88.056 1.675 -6.370 1.00 1.00 O ATOM 616 CB SER A 40 91.315 2.737 -5.451 1.00 1.00 C ATOM 617 OG SER A 40 92.149 3.801 -5.887 1.00 1.00 O ATOM 0 H SER A 40 88.894 3.696 -3.880 1.00 1.00 H new ATOM 0 HA SER A 40 89.749 3.550 -6.686 1.00 1.00 H new ATOM 0 HB2 SER A 40 91.481 2.540 -4.392 1.00 1.00 H new ATOM 0 HB3 SER A 40 91.563 1.822 -5.988 1.00 1.00 H new ATOM 0 HG SER A 40 91.594 4.559 -6.166 1.00 1.00 H new ATOM 623 N LYS A 41 89.268 0.987 -4.667 1.00 1.00 N ATOM 624 CA LYS A 41 88.458 -0.262 -4.519 1.00 1.00 C ATOM 625 C LYS A 41 87.677 -0.205 -3.199 1.00 1.00 C ATOM 626 O LYS A 41 88.053 0.492 -2.277 1.00 1.00 O ATOM 627 CB LYS A 41 89.383 -1.495 -4.524 1.00 1.00 C ATOM 628 CG LYS A 41 90.831 -1.054 -4.301 1.00 1.00 C ATOM 629 CD LYS A 41 91.008 -0.597 -2.852 1.00 1.00 C ATOM 630 CE LYS A 41 92.429 -0.065 -2.654 1.00 1.00 C ATOM 631 NZ LYS A 41 93.389 -0.924 -3.403 1.00 1.00 N ATOM 0 H LYS A 41 90.031 1.088 -3.997 1.00 1.00 H new ATOM 0 HA LYS A 41 87.761 -0.341 -5.354 1.00 1.00 H new ATOM 0 HB2 LYS A 41 89.080 -2.192 -3.742 1.00 1.00 H new ATOM 0 HB3 LYS A 41 89.296 -2.023 -5.473 1.00 1.00 H new ATOM 0 HG2 LYS A 41 91.511 -1.878 -4.519 1.00 1.00 H new ATOM 0 HG3 LYS A 41 91.084 -0.242 -4.983 1.00 1.00 H new ATOM 0 HD2 LYS A 41 90.281 0.179 -2.613 1.00 1.00 H new ATOM 0 HD3 LYS A 41 90.822 -1.428 -2.172 1.00 1.00 H new ATOM 0 HE2 LYS A 41 92.496 0.965 -3.005 1.00 1.00 H new ATOM 0 HE3 LYS A 41 92.682 -0.057 -1.594 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 94.355 -0.743 -3.063 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 93.151 -1.925 -3.251 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 93.332 -0.705 -4.418 1.00 1.00 H new ATOM 645 N PRO A 42 86.593 -0.933 -3.113 1.00 1.00 N ATOM 646 CA PRO A 42 85.742 -0.967 -1.887 1.00 1.00 C ATOM 647 C PRO A 42 86.487 -1.550 -0.678 1.00 1.00 C ATOM 648 O PRO A 42 87.494 -2.214 -0.822 1.00 1.00 O ATOM 649 CB PRO A 42 84.554 -1.864 -2.272 1.00 1.00 C ATOM 650 CG PRO A 42 84.999 -2.641 -3.467 1.00 1.00 C ATOM 651 CD PRO A 42 86.063 -1.801 -4.175 1.00 1.00 C ATOM 0 HA PRO A 42 85.441 0.036 -1.584 1.00 1.00 H new ATOM 0 HB2 PRO A 42 84.285 -2.529 -1.452 1.00 1.00 H new ATOM 0 HB3 PRO A 42 83.671 -1.267 -2.501 1.00 1.00 H new ATOM 0 HG2 PRO A 42 85.406 -3.607 -3.169 1.00 1.00 H new ATOM 0 HG3 PRO A 42 84.159 -2.840 -4.132 1.00 1.00 H new ATOM 0 HD2 PRO A 42 86.844 -2.427 -4.606 1.00 1.00 H new ATOM 0 HD3 PRO A 42 85.635 -1.218 -4.991 1.00 1.00 H new ATOM 659 N PRO A 43 85.988 -1.301 0.506 1.00 1.00 N ATOM 660 CA PRO A 43 86.603 -1.806 1.769 1.00 1.00 C ATOM 661 C PRO A 43 86.318 -3.293 1.999 1.00 1.00 C ATOM 662 O PRO A 43 85.462 -3.875 1.364 1.00 1.00 O ATOM 663 CB PRO A 43 85.933 -0.960 2.852 1.00 1.00 C ATOM 664 CG PRO A 43 84.594 -0.615 2.290 1.00 1.00 C ATOM 665 CD PRO A 43 84.775 -0.510 0.773 1.00 1.00 C ATOM 0 HA PRO A 43 87.690 -1.723 1.756 1.00 1.00 H new ATOM 0 HB2 PRO A 43 85.839 -1.514 3.786 1.00 1.00 H new ATOM 0 HB3 PRO A 43 86.514 -0.064 3.070 1.00 1.00 H new ATOM 0 HG2 PRO A 43 83.859 -1.380 2.541 1.00 1.00 H new ATOM 0 HG3 PRO A 43 84.230 0.325 2.704 1.00 1.00 H new ATOM 0 HD2 PRO A 43 83.912 -0.909 0.239 1.00 1.00 H new ATOM 0 HD3 PRO A 43 84.895 0.526 0.456 1.00 1.00 H new ATOM 673 N LYS A 44 87.030 -3.908 2.906 1.00 1.00 N ATOM 674 CA LYS A 44 86.805 -5.357 3.188 1.00 1.00 C ATOM 675 C LYS A 44 87.484 -6.200 2.105 1.00 1.00 C ATOM 676 O LYS A 44 88.479 -5.804 1.529 1.00 1.00 O ATOM 677 CB LYS A 44 85.297 -5.652 3.213 1.00 1.00 C ATOM 678 CG LYS A 44 85.008 -6.752 4.236 1.00 1.00 C ATOM 679 CD LYS A 44 83.517 -7.097 4.208 1.00 1.00 C ATOM 680 CE LYS A 44 83.267 -8.350 5.050 1.00 1.00 C ATOM 681 NZ LYS A 44 83.908 -8.188 6.385 1.00 1.00 N ATOM 0 H LYS A 44 87.760 -3.468 3.466 1.00 1.00 H new ATOM 0 HA LYS A 44 87.232 -5.608 4.159 1.00 1.00 H new ATOM 0 HB2 LYS A 44 84.743 -4.749 3.469 1.00 1.00 H new ATOM 0 HB3 LYS A 44 84.960 -5.963 2.224 1.00 1.00 H new ATOM 0 HG2 LYS A 44 85.601 -7.638 4.010 1.00 1.00 H new ATOM 0 HG3 LYS A 44 85.297 -6.421 5.233 1.00 1.00 H new ATOM 0 HD2 LYS A 44 82.933 -6.263 4.596 1.00 1.00 H new ATOM 0 HD3 LYS A 44 83.191 -7.265 3.182 1.00 1.00 H new ATOM 0 HE2 LYS A 44 82.196 -8.515 5.167 1.00 1.00 H new ATOM 0 HE3 LYS A 44 83.671 -9.227 4.545 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 83.626 -8.975 7.003 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 84.942 -8.187 6.276 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 83.604 -7.289 6.809 1.00 1.00 H new ATOM 695 N LYS A 45 86.959 -7.362 1.827 1.00 1.00 N ATOM 696 CA LYS A 45 87.579 -8.232 0.787 1.00 1.00 C ATOM 697 C LYS A 45 87.139 -7.771 -0.605 1.00 1.00 C ATOM 698 O LYS A 45 86.367 -8.432 -1.270 1.00 1.00 O ATOM 699 CB LYS A 45 87.133 -9.680 1.008 1.00 1.00 C ATOM 700 CG LYS A 45 87.925 -10.608 0.084 1.00 1.00 C ATOM 701 CD LYS A 45 89.371 -10.703 0.573 1.00 1.00 C ATOM 702 CE LYS A 45 90.305 -10.081 -0.467 1.00 1.00 C ATOM 703 NZ LYS A 45 91.648 -9.862 0.139 1.00 1.00 N ATOM 0 H LYS A 45 86.127 -7.747 2.275 1.00 1.00 H new ATOM 0 HA LYS A 45 88.664 -8.165 0.861 1.00 1.00 H new ATOM 0 HB2 LYS A 45 87.291 -9.965 2.048 1.00 1.00 H new ATOM 0 HB3 LYS A 45 86.066 -9.777 0.809 1.00 1.00 H new ATOM 0 HG2 LYS A 45 87.470 -11.598 0.068 1.00 1.00 H new ATOM 0 HG3 LYS A 45 87.900 -10.229 -0.938 1.00 1.00 H new ATOM 0 HD2 LYS A 45 89.478 -10.187 1.527 1.00 1.00 H new ATOM 0 HD3 LYS A 45 89.641 -11.745 0.742 1.00 1.00 H new ATOM 0 HE2 LYS A 45 90.388 -10.736 -1.334 1.00 1.00 H new ATOM 0 HE3 LYS A 45 89.895 -9.135 -0.820 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 92.283 -9.439 -0.568 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 91.561 -9.221 0.954 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 92.039 -10.772 0.455 1.00 1.00 H new ATOM 717 N GLY A 46 87.626 -6.642 -1.052 1.00 1.00 N ATOM 718 CA GLY A 46 87.240 -6.135 -2.403 1.00 1.00 C ATOM 719 C GLY A 46 88.493 -5.955 -3.264 1.00 1.00 C ATOM 720 O GLY A 46 88.585 -6.487 -4.352 1.00 1.00 O ATOM 0 H GLY A 46 88.276 -6.048 -0.538 1.00 1.00 H new ATOM 0 HA2 GLY A 46 86.555 -6.834 -2.882 1.00 1.00 H new ATOM 0 HA3 GLY A 46 86.712 -5.186 -2.309 1.00 1.00 H new ATOM 724 N VAL A 47 89.453 -5.206 -2.778 1.00 1.00 N ATOM 725 CA VAL A 47 90.717 -4.966 -3.539 1.00 1.00 C ATOM 726 C VAL A 47 90.492 -5.134 -5.047 1.00 1.00 C ATOM 727 O VAL A 47 91.289 -5.732 -5.741 1.00 1.00 O ATOM 728 CB VAL A 47 91.795 -5.941 -3.044 1.00 1.00 C ATOM 729 CG1 VAL A 47 91.602 -7.301 -3.717 1.00 1.00 C ATOM 730 CG2 VAL A 47 93.179 -5.391 -3.397 1.00 1.00 C ATOM 0 H VAL A 47 89.412 -4.743 -1.870 1.00 1.00 H new ATOM 0 HA VAL A 47 91.046 -3.941 -3.367 1.00 1.00 H new ATOM 0 HB VAL A 47 91.712 -6.056 -1.963 1.00 1.00 H new ATOM 0 HG11 VAL A 47 92.367 -7.993 -3.365 1.00 1.00 H new ATOM 0 HG12 VAL A 47 90.616 -7.694 -3.468 1.00 1.00 H new ATOM 0 HG13 VAL A 47 91.685 -7.187 -4.798 1.00 1.00 H new ATOM 0 HG21 VAL A 47 93.945 -6.082 -3.046 1.00 1.00 H new ATOM 0 HG22 VAL A 47 93.260 -5.277 -4.478 1.00 1.00 H new ATOM 0 HG23 VAL A 47 93.318 -4.422 -2.919 1.00 1.00 H new ATOM 740 N GLN A 48 89.414 -4.602 -5.558 1.00 1.00 N ATOM 741 CA GLN A 48 89.135 -4.723 -7.020 1.00 1.00 C ATOM 742 C GLN A 48 89.307 -3.358 -7.689 1.00 1.00 C ATOM 743 O GLN A 48 90.333 -3.068 -8.272 1.00 1.00 O ATOM 744 CB GLN A 48 87.700 -5.215 -7.223 1.00 1.00 C ATOM 745 CG GLN A 48 87.451 -5.471 -8.711 1.00 1.00 C ATOM 746 CD GLN A 48 86.342 -6.513 -8.871 1.00 1.00 C ATOM 747 OE1 GLN A 48 85.704 -6.891 -7.909 1.00 1.00 O ATOM 748 NE2 GLN A 48 86.084 -6.996 -10.056 1.00 1.00 N ATOM 0 H GLN A 48 88.713 -4.088 -5.025 1.00 1.00 H new ATOM 0 HA GLN A 48 89.831 -5.434 -7.466 1.00 1.00 H new ATOM 0 HB2 GLN A 48 87.534 -6.130 -6.654 1.00 1.00 H new ATOM 0 HB3 GLN A 48 86.994 -4.474 -6.848 1.00 1.00 H new ATOM 0 HG2 GLN A 48 87.167 -4.543 -9.208 1.00 1.00 H new ATOM 0 HG3 GLN A 48 88.366 -5.822 -9.189 1.00 1.00 H new ATOM 0 HE21 GLN A 48 86.620 -6.679 -10.864 1.00 1.00 H new ATOM 0 HE22 GLN A 48 85.347 -7.691 -10.174 1.00 1.00 H new ATOM 757 N GLY A 49 88.313 -2.515 -7.612 1.00 1.00 N ATOM 758 CA GLY A 49 88.428 -1.170 -8.246 1.00 1.00 C ATOM 759 C GLY A 49 87.033 -0.581 -8.467 1.00 1.00 C ATOM 760 O GLY A 49 86.037 -1.275 -8.406 1.00 1.00 O ATOM 0 H GLY A 49 87.428 -2.699 -7.139 1.00 1.00 H new ATOM 0 HA2 GLY A 49 89.016 -0.507 -7.611 1.00 1.00 H new ATOM 0 HA3 GLY A 49 88.954 -1.250 -9.197 1.00 1.00 H new ATOM 764 N CYS A 50 86.957 0.696 -8.725 1.00 1.00 N ATOM 765 CA CYS A 50 85.632 1.338 -8.952 1.00 1.00 C ATOM 766 C CYS A 50 85.817 2.597 -9.802 1.00 1.00 C ATOM 767 O CYS A 50 85.647 2.577 -11.005 1.00 1.00 O ATOM 768 CB CYS A 50 85.012 1.719 -7.606 1.00 1.00 C ATOM 769 SG CYS A 50 83.596 2.813 -7.882 1.00 1.00 S ATOM 0 H CYS A 50 87.758 1.324 -8.788 1.00 1.00 H new ATOM 0 HA CYS A 50 84.974 0.641 -9.470 1.00 1.00 H new ATOM 0 HB2 CYS A 50 84.694 0.823 -7.073 1.00 1.00 H new ATOM 0 HB3 CYS A 50 85.753 2.216 -6.980 1.00 1.00 H new ATOM 774 N GLY A 51 86.167 3.691 -9.185 1.00 1.00 N ATOM 775 CA GLY A 51 86.366 4.952 -9.954 1.00 1.00 C ATOM 776 C GLY A 51 85.102 5.270 -10.753 1.00 1.00 C ATOM 777 O GLY A 51 84.142 5.795 -10.227 1.00 1.00 O ATOM 0 H GLY A 51 86.324 3.767 -8.180 1.00 1.00 H new ATOM 0 HA2 GLY A 51 86.594 5.772 -9.274 1.00 1.00 H new ATOM 0 HA3 GLY A 51 87.217 4.849 -10.627 1.00 1.00 H new ATOM 781 N ASP A 52 85.098 4.958 -12.021 1.00 1.00 N ATOM 782 CA ASP A 52 83.900 5.239 -12.865 1.00 1.00 C ATOM 783 C ASP A 52 83.608 6.744 -12.861 1.00 1.00 C ATOM 784 O ASP A 52 83.536 7.372 -11.824 1.00 1.00 O ATOM 785 CB ASP A 52 82.690 4.460 -12.323 1.00 1.00 C ATOM 786 CG ASP A 52 81.908 5.338 -11.344 1.00 1.00 C ATOM 787 OD1 ASP A 52 81.297 6.293 -11.793 1.00 1.00 O ATOM 788 OD2 ASP A 52 81.934 5.040 -10.161 1.00 1.00 O ATOM 0 H ASP A 52 85.877 4.518 -12.511 1.00 1.00 H new ATOM 0 HA ASP A 52 84.094 4.920 -13.889 1.00 1.00 H new ATOM 0 HB2 ASP A 52 82.045 4.153 -13.146 1.00 1.00 H new ATOM 0 HB3 ASP A 52 83.025 3.551 -11.824 1.00 1.00 H new ATOM 793 N ASP A 53 83.436 7.324 -14.017 1.00 1.00 N ATOM 794 CA ASP A 53 83.147 8.784 -14.083 1.00 1.00 C ATOM 795 C ASP A 53 84.195 9.554 -13.275 1.00 1.00 C ATOM 796 O ASP A 53 85.365 9.228 -13.289 1.00 1.00 O ATOM 797 CB ASP A 53 81.756 9.055 -13.505 1.00 1.00 C ATOM 798 CG ASP A 53 81.296 10.454 -13.917 1.00 1.00 C ATOM 799 OD1 ASP A 53 82.144 11.253 -14.279 1.00 1.00 O ATOM 800 OD2 ASP A 53 80.103 10.704 -13.865 1.00 1.00 O ATOM 0 H ASP A 53 83.483 6.850 -14.919 1.00 1.00 H new ATOM 0 HA ASP A 53 83.180 9.112 -15.122 1.00 1.00 H new ATOM 0 HB2 ASP A 53 81.049 8.307 -13.865 1.00 1.00 H new ATOM 0 HB3 ASP A 53 81.780 8.974 -12.418 1.00 1.00 H new ATOM 805 N ILE A 54 83.780 10.576 -12.573 1.00 1.00 N ATOM 806 CA ILE A 54 84.743 11.378 -11.761 1.00 1.00 C ATOM 807 C ILE A 54 84.529 11.078 -10.270 1.00 1.00 C ATOM 808 O ILE A 54 83.575 11.541 -9.676 1.00 1.00 O ATOM 809 CB ILE A 54 84.491 12.869 -12.017 1.00 1.00 C ATOM 810 CG1 ILE A 54 84.932 13.222 -13.439 1.00 1.00 C ATOM 811 CG2 ILE A 54 85.292 13.702 -11.015 1.00 1.00 C ATOM 812 CD1 ILE A 54 86.421 13.573 -13.440 1.00 1.00 C ATOM 0 H ILE A 54 82.811 10.891 -12.527 1.00 1.00 H new ATOM 0 HA ILE A 54 85.764 11.120 -12.041 1.00 1.00 H new ATOM 0 HB ILE A 54 83.429 13.083 -11.900 1.00 1.00 H new ATOM 0 HG12 ILE A 54 84.745 12.382 -14.108 1.00 1.00 H new ATOM 0 HG13 ILE A 54 84.349 14.063 -13.813 1.00 1.00 H new ATOM 0 HG21 ILE A 54 85.113 14.762 -11.197 1.00 1.00 H new ATOM 0 HG22 ILE A 54 84.980 13.450 -10.001 1.00 1.00 H new ATOM 0 HG23 ILE A 54 86.355 13.489 -11.132 1.00 1.00 H new ATOM 0 HD11 ILE A 54 86.735 13.824 -14.453 1.00 1.00 H new ATOM 0 HD12 ILE A 54 86.594 14.426 -12.784 1.00 1.00 H new ATOM 0 HD13 ILE A 54 86.996 12.719 -13.083 1.00 1.00 H new ATOM 824 N PRO A 55 85.404 10.311 -9.664 1.00 1.00 N ATOM 825 CA PRO A 55 85.292 9.957 -8.221 1.00 1.00 C ATOM 826 C PRO A 55 85.828 11.066 -7.308 1.00 1.00 C ATOM 827 O PRO A 55 86.993 11.089 -6.963 1.00 1.00 O ATOM 828 CB PRO A 55 86.150 8.698 -8.102 1.00 1.00 C ATOM 829 CG PRO A 55 87.199 8.848 -9.156 1.00 1.00 C ATOM 830 CD PRO A 55 86.590 9.695 -10.280 1.00 1.00 C ATOM 0 HA PRO A 55 84.257 9.813 -7.911 1.00 1.00 H new ATOM 0 HB2 PRO A 55 86.595 8.615 -7.110 1.00 1.00 H new ATOM 0 HB3 PRO A 55 85.556 7.798 -8.261 1.00 1.00 H new ATOM 0 HG2 PRO A 55 88.088 9.330 -8.749 1.00 1.00 H new ATOM 0 HG3 PRO A 55 87.509 7.873 -9.533 1.00 1.00 H new ATOM 0 HD2 PRO A 55 87.292 10.450 -10.635 1.00 1.00 H new ATOM 0 HD3 PRO A 55 86.319 9.082 -11.139 1.00 1.00 H new ATOM 838 N GLY A 56 84.988 11.985 -6.914 1.00 1.00 N ATOM 839 CA GLY A 56 85.455 13.087 -6.025 1.00 1.00 C ATOM 840 C GLY A 56 84.371 14.162 -5.923 1.00 1.00 C ATOM 841 O GLY A 56 84.084 14.669 -4.856 1.00 1.00 O ATOM 0 H GLY A 56 84.001 12.020 -7.169 1.00 1.00 H new ATOM 0 HA2 GLY A 56 85.686 12.695 -5.035 1.00 1.00 H new ATOM 0 HA3 GLY A 56 86.374 13.520 -6.419 1.00 1.00 H new ATOM 845 N MET A 57 83.768 14.516 -7.024 1.00 1.00 N ATOM 846 CA MET A 57 82.706 15.561 -6.988 1.00 1.00 C ATOM 847 C MET A 57 81.444 14.985 -6.344 1.00 1.00 C ATOM 848 O MET A 57 80.419 15.635 -6.275 1.00 1.00 O ATOM 849 CB MET A 57 82.390 16.014 -8.415 1.00 1.00 C ATOM 850 CG MET A 57 83.586 16.779 -8.985 1.00 1.00 C ATOM 851 SD MET A 57 83.150 17.460 -10.605 1.00 1.00 S ATOM 852 CE MET A 57 84.305 18.853 -10.584 1.00 1.00 C ATOM 0 H MET A 57 83.964 14.127 -7.946 1.00 1.00 H new ATOM 0 HA MET A 57 83.054 16.413 -6.404 1.00 1.00 H new ATOM 0 HB2 MET A 57 82.166 15.150 -9.041 1.00 1.00 H new ATOM 0 HB3 MET A 57 81.504 16.649 -8.418 1.00 1.00 H new ATOM 0 HG2 MET A 57 83.874 17.582 -8.307 1.00 1.00 H new ATOM 0 HG3 MET A 57 84.446 16.115 -9.077 1.00 1.00 H new ATOM 0 HE1 MET A 57 84.205 19.423 -11.508 1.00 1.00 H new ATOM 0 HE2 MET A 57 84.082 19.498 -9.734 1.00 1.00 H new ATOM 0 HE3 MET A 57 85.325 18.479 -10.497 1.00 1.00 H new ATOM 862 N GLU A 58 81.507 13.771 -5.871 1.00 1.00 N ATOM 863 CA GLU A 58 80.309 13.159 -5.232 1.00 1.00 C ATOM 864 C GLU A 58 80.706 11.849 -4.548 1.00 1.00 C ATOM 865 O GLU A 58 81.024 10.871 -5.195 1.00 1.00 O ATOM 866 CB GLU A 58 79.248 12.878 -6.298 1.00 1.00 C ATOM 867 CG GLU A 58 77.954 12.420 -5.623 1.00 1.00 C ATOM 868 CD GLU A 58 76.816 12.419 -6.647 1.00 1.00 C ATOM 869 OE1 GLU A 58 76.655 11.416 -7.323 1.00 1.00 O ATOM 870 OE2 GLU A 58 76.127 13.421 -6.737 1.00 1.00 O ATOM 0 H GLU A 58 82.336 13.177 -5.899 1.00 1.00 H new ATOM 0 HA GLU A 58 79.904 13.847 -4.490 1.00 1.00 H new ATOM 0 HB2 GLU A 58 79.064 13.775 -6.889 1.00 1.00 H new ATOM 0 HB3 GLU A 58 79.603 12.111 -6.986 1.00 1.00 H new ATOM 0 HG2 GLU A 58 78.083 11.421 -5.206 1.00 1.00 H new ATOM 0 HG3 GLU A 58 77.710 13.083 -4.793 1.00 1.00 H new ATOM 877 N GLY A 59 80.689 11.823 -3.243 1.00 1.00 N ATOM 878 CA GLY A 59 81.064 10.578 -2.514 1.00 1.00 C ATOM 879 C GLY A 59 80.572 10.668 -1.068 1.00 1.00 C ATOM 880 O GLY A 59 80.003 9.736 -0.537 1.00 1.00 O ATOM 0 H GLY A 59 80.431 12.611 -2.649 1.00 1.00 H new ATOM 0 HA2 GLY A 59 80.626 9.710 -3.006 1.00 1.00 H new ATOM 0 HA3 GLY A 59 82.145 10.443 -2.534 1.00 1.00 H new ATOM 884 N CYS A 60 80.785 11.788 -0.430 1.00 1.00 N ATOM 885 CA CYS A 60 80.329 11.947 0.980 1.00 1.00 C ATOM 886 C CYS A 60 81.058 10.940 1.873 1.00 1.00 C ATOM 887 O CYS A 60 82.236 10.694 1.714 1.00 1.00 O ATOM 888 CB CYS A 60 78.821 11.702 1.059 1.00 1.00 C ATOM 889 SG CYS A 60 78.016 12.415 -0.397 1.00 1.00 S ATOM 0 H CYS A 60 81.256 12.601 -0.826 1.00 1.00 H new ATOM 0 HA CYS A 60 80.552 12.958 1.320 1.00 1.00 H new ATOM 0 HB2 CYS A 60 78.618 10.632 1.113 1.00 1.00 H new ATOM 0 HB3 CYS A 60 78.416 12.149 1.967 1.00 1.00 H new ATOM 894 N GLY A 61 80.362 10.358 2.814 1.00 1.00 N ATOM 895 CA GLY A 61 81.007 9.367 3.723 1.00 1.00 C ATOM 896 C GLY A 61 80.005 8.269 4.070 1.00 1.00 C ATOM 897 O GLY A 61 79.300 7.765 3.221 1.00 1.00 O ATOM 0 H GLY A 61 79.372 10.527 2.992 1.00 1.00 H new ATOM 0 HA2 GLY A 61 81.885 8.935 3.243 1.00 1.00 H new ATOM 0 HA3 GLY A 61 81.351 9.861 4.632 1.00 1.00 H new ATOM 901 N THR A 62 79.935 7.895 5.315 1.00 1.00 N ATOM 902 CA THR A 62 78.978 6.828 5.717 1.00 1.00 C ATOM 903 C THR A 62 78.510 7.089 7.148 1.00 1.00 C ATOM 904 O THR A 62 79.301 7.282 8.050 1.00 1.00 O ATOM 905 CB THR A 62 79.666 5.458 5.633 1.00 1.00 C ATOM 906 OG1 THR A 62 79.468 4.756 6.852 1.00 1.00 O ATOM 907 CG2 THR A 62 81.164 5.651 5.390 1.00 1.00 C ATOM 0 H THR A 62 80.499 8.281 6.072 1.00 1.00 H new ATOM 0 HA THR A 62 78.118 6.833 5.047 1.00 1.00 H new ATOM 0 HB THR A 62 79.238 4.886 4.810 1.00 1.00 H new ATOM 0 HG1 THR A 62 78.833 4.024 6.708 1.00 1.00 H new ATOM 0 HG21 THR A 62 81.651 4.678 5.331 1.00 1.00 H new ATOM 0 HG22 THR A 62 81.314 6.190 4.455 1.00 1.00 H new ATOM 0 HG23 THR A 62 81.595 6.223 6.212 1.00 1.00 H new ATOM 915 N ASP A 63 77.225 7.105 7.357 1.00 1.00 N ATOM 916 CA ASP A 63 76.689 7.362 8.723 1.00 1.00 C ATOM 917 C ASP A 63 77.400 6.466 9.741 1.00 1.00 C ATOM 918 O ASP A 63 77.886 6.933 10.752 1.00 1.00 O ATOM 919 CB ASP A 63 75.188 7.069 8.743 1.00 1.00 C ATOM 920 CG ASP A 63 74.446 8.146 7.950 1.00 1.00 C ATOM 921 OD1 ASP A 63 74.303 7.977 6.750 1.00 1.00 O ATOM 922 OD2 ASP A 63 74.034 9.122 8.555 1.00 1.00 O ATOM 0 H ASP A 63 76.518 6.951 6.638 1.00 1.00 H new ATOM 0 HA ASP A 63 76.862 8.406 8.986 1.00 1.00 H new ATOM 0 HB2 ASP A 63 74.993 6.087 8.313 1.00 1.00 H new ATOM 0 HB3 ASP A 63 74.825 7.045 9.771 1.00 1.00 H new ATOM 927 N ILE A 64 77.464 5.183 9.495 1.00 1.00 N ATOM 928 CA ILE A 64 78.145 4.283 10.471 1.00 1.00 C ATOM 929 C ILE A 64 79.662 4.346 10.256 1.00 1.00 C ATOM 930 O ILE A 64 80.414 4.565 11.182 1.00 1.00 O ATOM 931 CB ILE A 64 77.627 2.844 10.303 1.00 1.00 C ATOM 932 CG1 ILE A 64 77.700 2.117 11.648 1.00 1.00 C ATOM 933 CG2 ILE A 64 78.491 2.106 9.279 1.00 1.00 C ATOM 934 CD1 ILE A 64 79.125 2.202 12.197 1.00 1.00 C ATOM 0 H ILE A 64 77.079 4.724 8.670 1.00 1.00 H new ATOM 0 HA ILE A 64 77.924 4.610 11.487 1.00 1.00 H new ATOM 0 HB ILE A 64 76.594 2.868 9.956 1.00 1.00 H new ATOM 0 HG12 ILE A 64 77.000 2.564 12.354 1.00 1.00 H new ATOM 0 HG13 ILE A 64 77.407 1.074 11.526 1.00 1.00 H new ATOM 0 HG21 ILE A 64 78.124 1.087 9.160 1.00 1.00 H new ATOM 0 HG22 ILE A 64 78.442 2.623 8.321 1.00 1.00 H new ATOM 0 HG23 ILE A 64 79.524 2.081 9.625 1.00 1.00 H new ATOM 0 HD11 ILE A 64 79.177 1.684 13.155 1.00 1.00 H new ATOM 0 HD12 ILE A 64 79.814 1.735 11.494 1.00 1.00 H new ATOM 0 HD13 ILE A 64 79.400 3.248 12.334 1.00 1.00 H new ATOM 946 N THR A 65 80.100 4.154 9.036 1.00 1.00 N ATOM 947 CA THR A 65 81.560 4.188 8.699 1.00 1.00 C ATOM 948 C THR A 65 81.826 3.128 7.627 1.00 1.00 C ATOM 949 O THR A 65 82.798 3.189 6.901 1.00 1.00 O ATOM 950 CB THR A 65 82.423 3.886 9.936 1.00 1.00 C ATOM 951 OG1 THR A 65 82.480 5.039 10.764 1.00 1.00 O ATOM 952 CG2 THR A 65 83.836 3.503 9.493 1.00 1.00 C ATOM 0 H THR A 65 79.491 3.970 8.238 1.00 1.00 H new ATOM 0 HA THR A 65 81.821 5.183 8.340 1.00 1.00 H new ATOM 0 HB THR A 65 81.983 3.059 10.494 1.00 1.00 H new ATOM 0 HG1 THR A 65 81.715 5.040 11.377 1.00 1.00 H new ATOM 0 HG21 THR A 65 84.447 3.289 10.370 1.00 1.00 H new ATOM 0 HG22 THR A 65 83.791 2.618 8.858 1.00 1.00 H new ATOM 0 HG23 THR A 65 84.279 4.328 8.935 1.00 1.00 H new ATOM 960 N VAL A 66 80.958 2.156 7.527 1.00 1.00 N ATOM 961 CA VAL A 66 81.136 1.082 6.509 1.00 1.00 C ATOM 962 C VAL A 66 79.757 0.546 6.104 1.00 1.00 C ATOM 963 O VAL A 66 79.271 0.821 5.026 1.00 1.00 O ATOM 964 CB VAL A 66 81.983 -0.056 7.100 1.00 1.00 C ATOM 965 CG1 VAL A 66 83.458 0.182 6.773 1.00 1.00 C ATOM 966 CG2 VAL A 66 81.798 -0.092 8.619 1.00 1.00 C ATOM 0 H VAL A 66 80.128 2.060 8.112 1.00 1.00 H new ATOM 0 HA VAL A 66 81.645 1.484 5.633 1.00 1.00 H new ATOM 0 HB VAL A 66 81.665 -1.006 6.671 1.00 1.00 H new ATOM 0 HG11 VAL A 66 84.058 -0.625 7.192 1.00 1.00 H new ATOM 0 HG12 VAL A 66 83.591 0.209 5.692 1.00 1.00 H new ATOM 0 HG13 VAL A 66 83.777 1.132 7.202 1.00 1.00 H new ATOM 0 HG21 VAL A 66 82.398 -0.899 9.040 1.00 1.00 H new ATOM 0 HG22 VAL A 66 82.117 0.858 9.047 1.00 1.00 H new ATOM 0 HG23 VAL A 66 80.747 -0.261 8.854 1.00 1.00 H new ATOM 976 N ILE A 67 79.123 -0.215 6.962 1.00 1.00 N ATOM 977 CA ILE A 67 77.774 -0.768 6.629 1.00 1.00 C ATOM 978 C ILE A 67 76.823 -0.561 7.811 1.00 1.00 C ATOM 979 O ILE A 67 76.806 -1.333 8.750 1.00 1.00 O ATOM 980 CB ILE A 67 77.889 -2.268 6.341 1.00 1.00 C ATOM 981 CG1 ILE A 67 78.666 -2.478 5.039 1.00 1.00 C ATOM 982 CG2 ILE A 67 76.490 -2.870 6.201 1.00 1.00 C ATOM 983 CD1 ILE A 67 77.919 -1.807 3.885 1.00 1.00 C ATOM 0 H ILE A 67 79.482 -0.477 7.880 1.00 1.00 H new ATOM 0 HA ILE A 67 77.386 -0.252 5.751 1.00 1.00 H new ATOM 0 HB ILE A 67 78.414 -2.756 7.162 1.00 1.00 H new ATOM 0 HG12 ILE A 67 79.668 -2.059 5.130 1.00 1.00 H new ATOM 0 HG13 ILE A 67 78.782 -3.543 4.840 1.00 1.00 H new ATOM 0 HG21 ILE A 67 76.572 -3.937 5.996 1.00 1.00 H new ATOM 0 HG22 ILE A 67 75.935 -2.720 7.127 1.00 1.00 H new ATOM 0 HG23 ILE A 67 75.965 -2.382 5.380 1.00 1.00 H new ATOM 0 HD11 ILE A 67 78.472 -1.956 2.958 1.00 1.00 H new ATOM 0 HD12 ILE A 67 76.926 -2.246 3.790 1.00 1.00 H new ATOM 0 HD13 ILE A 67 77.826 -0.739 4.084 1.00 1.00 H new ATOM 995 N CYS A 68 76.032 0.476 7.773 1.00 1.00 N ATOM 996 CA CYS A 68 75.083 0.738 8.890 1.00 1.00 C ATOM 997 C CYS A 68 74.073 -0.412 8.982 1.00 1.00 C ATOM 998 O CYS A 68 73.777 -1.066 8.001 1.00 1.00 O ATOM 999 CB CYS A 68 74.340 2.047 8.616 1.00 1.00 C ATOM 1000 SG CYS A 68 73.191 1.812 7.237 1.00 1.00 S ATOM 0 H CYS A 68 76.003 1.155 7.013 1.00 1.00 H new ATOM 0 HA CYS A 68 75.631 0.814 9.829 1.00 1.00 H new ATOM 0 HB2 CYS A 68 73.796 2.362 9.507 1.00 1.00 H new ATOM 0 HB3 CYS A 68 75.051 2.839 8.380 1.00 1.00 H new ATOM 1005 N PRO A 69 73.556 -0.674 10.162 1.00 1.00 N ATOM 1006 CA PRO A 69 72.577 -1.781 10.387 1.00 1.00 C ATOM 1007 C PRO A 69 71.162 -1.467 9.881 1.00 1.00 C ATOM 1008 O PRO A 69 70.462 -2.344 9.415 1.00 1.00 O ATOM 1009 CB PRO A 69 72.572 -1.946 11.909 1.00 1.00 C ATOM 1010 CG PRO A 69 72.920 -0.595 12.440 1.00 1.00 C ATOM 1011 CD PRO A 69 73.845 0.056 11.408 1.00 1.00 C ATOM 0 HA PRO A 69 72.866 -2.677 9.837 1.00 1.00 H new ATOM 0 HB2 PRO A 69 71.596 -2.273 12.268 1.00 1.00 H new ATOM 0 HB3 PRO A 69 73.297 -2.695 12.228 1.00 1.00 H new ATOM 0 HG2 PRO A 69 72.023 0.006 12.589 1.00 1.00 H new ATOM 0 HG3 PRO A 69 73.415 -0.675 13.408 1.00 1.00 H new ATOM 0 HD2 PRO A 69 73.640 1.121 11.303 1.00 1.00 H new ATOM 0 HD3 PRO A 69 74.893 -0.040 11.694 1.00 1.00 H new ATOM 1019 N TRP A 70 70.718 -0.240 9.974 1.00 1.00 N ATOM 1020 CA TRP A 70 69.336 0.068 9.499 1.00 1.00 C ATOM 1021 C TRP A 70 69.234 -0.187 7.991 1.00 1.00 C ATOM 1022 O TRP A 70 68.326 0.282 7.335 1.00 1.00 O ATOM 1023 CB TRP A 70 68.964 1.527 9.813 1.00 1.00 C ATOM 1024 CG TRP A 70 70.204 2.359 9.884 1.00 1.00 C ATOM 1025 CD1 TRP A 70 70.797 2.960 8.828 1.00 1.00 C ATOM 1026 CD2 TRP A 70 71.011 2.693 11.052 1.00 1.00 C ATOM 1027 NE1 TRP A 70 71.916 3.641 9.270 1.00 1.00 N ATOM 1028 CE2 TRP A 70 72.091 3.508 10.633 1.00 1.00 C ATOM 1029 CE3 TRP A 70 70.912 2.373 12.416 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 73.040 3.986 11.541 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 71.862 2.851 13.330 1.00 1.00 C ATOM 1032 CH2 TRP A 70 72.924 3.656 12.895 1.00 1.00 C ATOM 0 H TRP A 70 71.242 0.550 10.351 1.00 1.00 H new ATOM 0 HA TRP A 70 68.637 -0.585 10.022 1.00 1.00 H new ATOM 0 HB2 TRP A 70 68.297 1.916 9.044 1.00 1.00 H new ATOM 0 HB3 TRP A 70 68.425 1.579 10.759 1.00 1.00 H new ATOM 0 HD1 TRP A 70 70.453 2.915 7.805 1.00 1.00 H new ATOM 0 HE1 TRP A 70 72.537 4.176 8.663 1.00 1.00 H new ATOM 0 HE3 TRP A 70 70.098 1.754 12.764 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 73.856 4.605 11.200 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 71.775 2.597 14.376 1.00 1.00 H new ATOM 0 HH2 TRP A 70 73.652 4.021 13.605 1.00 1.00 H new ATOM 1043 N GLU A 71 70.149 -0.939 7.440 1.00 1.00 N ATOM 1044 CA GLU A 71 70.095 -1.238 5.981 1.00 1.00 C ATOM 1045 C GLU A 71 70.930 -2.487 5.700 1.00 1.00 C ATOM 1046 O GLU A 71 71.428 -2.683 4.609 1.00 1.00 O ATOM 1047 CB GLU A 71 70.658 -0.054 5.186 1.00 1.00 C ATOM 1048 CG GLU A 71 69.604 1.050 5.089 1.00 1.00 C ATOM 1049 CD GLU A 71 69.838 1.871 3.819 1.00 1.00 C ATOM 1050 OE1 GLU A 71 69.714 1.309 2.743 1.00 1.00 O ATOM 1051 OE2 GLU A 71 70.137 3.047 3.944 1.00 1.00 O ATOM 0 H GLU A 71 70.933 -1.360 7.939 1.00 1.00 H new ATOM 0 HA GLU A 71 69.061 -1.407 5.680 1.00 1.00 H new ATOM 0 HB2 GLU A 71 71.556 0.329 5.672 1.00 1.00 H new ATOM 0 HB3 GLU A 71 70.950 -0.380 4.188 1.00 1.00 H new ATOM 0 HG2 GLU A 71 68.605 0.613 5.073 1.00 1.00 H new ATOM 0 HG3 GLU A 71 69.656 1.695 5.966 1.00 1.00 H new ATOM 1058 N ALA A 72 71.087 -3.335 6.680 1.00 1.00 N ATOM 1059 CA ALA A 72 71.890 -4.573 6.476 1.00 1.00 C ATOM 1060 C ALA A 72 71.191 -5.472 5.455 1.00 1.00 C ATOM 1061 O ALA A 72 70.176 -6.078 5.738 1.00 1.00 O ATOM 1062 CB ALA A 72 72.024 -5.318 7.806 1.00 1.00 C ATOM 0 H ALA A 72 70.693 -3.223 7.614 1.00 1.00 H new ATOM 0 HA ALA A 72 72.881 -4.307 6.107 1.00 1.00 H new ATOM 0 HB1 ALA A 72 72.611 -6.224 7.658 1.00 1.00 H new ATOM 0 HB2 ALA A 72 72.522 -4.677 8.533 1.00 1.00 H new ATOM 0 HB3 ALA A 72 71.034 -5.584 8.175 1.00 1.00 H new ATOM 1068 N CYS A 73 71.726 -5.565 4.268 1.00 1.00 N ATOM 1069 CA CYS A 73 71.091 -6.425 3.231 1.00 1.00 C ATOM 1070 C CYS A 73 71.299 -7.898 3.592 1.00 1.00 C ATOM 1071 O CYS A 73 71.959 -8.634 2.885 1.00 1.00 O ATOM 1072 CB CYS A 73 71.727 -6.133 1.868 1.00 1.00 C ATOM 1073 SG CYS A 73 70.526 -6.468 0.556 1.00 1.00 S ATOM 0 H CYS A 73 72.575 -5.083 3.972 1.00 1.00 H new ATOM 0 HA CYS A 73 70.023 -6.213 3.185 1.00 1.00 H new ATOM 0 HB2 CYS A 73 72.051 -5.093 1.822 1.00 1.00 H new ATOM 0 HB3 CYS A 73 72.615 -6.750 1.729 1.00 1.00 H new ATOM 1078 N ASN A 74 70.742 -8.336 4.688 1.00 1.00 N ATOM 1079 CA ASN A 74 70.909 -9.760 5.093 1.00 1.00 C ATOM 1080 C ASN A 74 72.394 -10.128 5.056 1.00 1.00 C ATOM 1081 O ASN A 74 73.100 -10.000 6.037 1.00 1.00 O ATOM 1082 CB ASN A 74 70.136 -10.661 4.128 1.00 1.00 C ATOM 1083 CG ASN A 74 70.406 -12.127 4.470 1.00 1.00 C ATOM 1084 OD1 ASN A 74 71.436 -12.666 4.115 1.00 1.00 O ATOM 1085 ND2 ASN A 74 69.518 -12.801 5.149 1.00 1.00 N ATOM 0 H ASN A 74 70.178 -7.768 5.321 1.00 1.00 H new ATOM 0 HA ASN A 74 70.524 -9.898 6.103 1.00 1.00 H new ATOM 0 HB2 ASN A 74 69.068 -10.452 4.195 1.00 1.00 H new ATOM 0 HB3 ASN A 74 70.437 -10.455 3.101 1.00 1.00 H new ATOM 0 HD21 ASN A 74 69.689 -13.779 5.381 1.00 1.00 H new ATOM 0 HD22 ASN A 74 68.653 -12.349 5.447 1.00 1.00 H new ATOM 1092 N HIS A 75 72.875 -10.583 3.931 1.00 1.00 N ATOM 1093 CA HIS A 75 74.315 -10.957 3.833 1.00 1.00 C ATOM 1094 C HIS A 75 74.764 -10.885 2.371 1.00 1.00 C ATOM 1095 O HIS A 75 75.404 -11.784 1.864 1.00 1.00 O ATOM 1096 CB HIS A 75 74.511 -12.381 4.355 1.00 1.00 C ATOM 1097 CG HIS A 75 75.959 -12.766 4.231 1.00 1.00 C ATOM 1098 ND1 HIS A 75 76.360 -14.076 4.013 1.00 1.00 N ATOM 1099 CD2 HIS A 75 77.115 -12.025 4.291 1.00 1.00 C ATOM 1100 CE1 HIS A 75 77.703 -14.086 3.951 1.00 1.00 C ATOM 1101 NE2 HIS A 75 78.212 -12.863 4.114 1.00 1.00 N ATOM 0 H HIS A 75 72.334 -10.712 3.076 1.00 1.00 H new ATOM 0 HA HIS A 75 74.909 -10.266 4.431 1.00 1.00 H new ATOM 0 HB2 HIS A 75 74.195 -12.445 5.396 1.00 1.00 H new ATOM 0 HB3 HIS A 75 73.889 -13.076 3.790 1.00 1.00 H new ATOM 0 HD2 HIS A 75 77.164 -10.958 4.451 1.00 1.00 H new ATOM 0 HE1 HIS A 75 78.296 -14.974 3.789 1.00 1.00 H new ATOM 0 HE2 HIS A 75 79.197 -12.598 4.110 1.00 1.00 H new ATOM 1110 N CYS A 76 74.434 -9.822 1.690 1.00 1.00 N ATOM 1111 CA CYS A 76 74.845 -9.696 0.263 1.00 1.00 C ATOM 1112 C CYS A 76 74.512 -10.992 -0.480 1.00 1.00 C ATOM 1113 O CYS A 76 75.370 -11.819 -0.717 1.00 1.00 O ATOM 1114 CB CYS A 76 76.351 -9.437 0.187 1.00 1.00 C ATOM 1115 SG CYS A 76 76.748 -7.913 1.079 1.00 1.00 S ATOM 0 H CYS A 76 73.898 -9.036 2.059 1.00 1.00 H new ATOM 0 HA CYS A 76 74.310 -8.865 -0.197 1.00 1.00 H new ATOM 0 HB2 CYS A 76 76.897 -10.276 0.618 1.00 1.00 H new ATOM 0 HB3 CYS A 76 76.664 -9.354 -0.854 1.00 1.00 H new ATOM 1120 N GLU A 77 73.274 -11.176 -0.849 1.00 1.00 N ATOM 1121 CA GLU A 77 72.891 -12.420 -1.574 1.00 1.00 C ATOM 1122 C GLU A 77 73.761 -12.573 -2.823 1.00 1.00 C ATOM 1123 O GLU A 77 73.997 -11.626 -3.547 1.00 1.00 O ATOM 1124 CB GLU A 77 71.419 -12.339 -1.986 1.00 1.00 C ATOM 1125 CG GLU A 77 70.538 -12.335 -0.735 1.00 1.00 C ATOM 1126 CD GLU A 77 70.503 -13.740 -0.131 1.00 1.00 C ATOM 1127 OE1 GLU A 77 70.443 -14.691 -0.893 1.00 1.00 O ATOM 1128 OE2 GLU A 77 70.537 -13.842 1.085 1.00 1.00 O ATOM 0 H GLU A 77 72.512 -10.519 -0.680 1.00 1.00 H new ATOM 0 HA GLU A 77 73.039 -13.280 -0.920 1.00 1.00 H new ATOM 0 HB2 GLU A 77 71.243 -11.436 -2.570 1.00 1.00 H new ATOM 0 HB3 GLU A 77 71.161 -13.186 -2.622 1.00 1.00 H new ATOM 0 HG2 GLU A 77 70.926 -11.624 -0.006 1.00 1.00 H new ATOM 0 HG3 GLU A 77 69.529 -12.012 -0.989 1.00 1.00 H new ATOM 1135 N LEU A 78 74.240 -13.760 -3.082 1.00 1.00 N ATOM 1136 CA LEU A 78 75.096 -13.978 -4.284 1.00 1.00 C ATOM 1137 C LEU A 78 76.431 -13.246 -4.097 1.00 1.00 C ATOM 1138 O LEU A 78 77.478 -13.858 -4.022 1.00 1.00 O ATOM 1139 CB LEU A 78 74.370 -13.444 -5.532 1.00 1.00 C ATOM 1140 CG LEU A 78 74.412 -14.498 -6.639 1.00 1.00 C ATOM 1141 CD1 LEU A 78 73.487 -14.077 -7.782 1.00 1.00 C ATOM 1142 CD2 LEU A 78 75.844 -14.627 -7.165 1.00 1.00 C ATOM 0 H LEU A 78 74.075 -14.590 -2.512 1.00 1.00 H new ATOM 0 HA LEU A 78 75.288 -15.043 -4.412 1.00 1.00 H new ATOM 0 HB2 LEU A 78 73.336 -13.200 -5.287 1.00 1.00 H new ATOM 0 HB3 LEU A 78 74.843 -12.523 -5.874 1.00 1.00 H new ATOM 0 HG LEU A 78 74.082 -15.457 -6.239 1.00 1.00 H new ATOM 0 HD11 LEU A 78 73.518 -14.829 -8.571 1.00 1.00 H new ATOM 0 HD12 LEU A 78 72.467 -13.984 -7.409 1.00 1.00 H new ATOM 0 HD13 LEU A 78 73.816 -13.118 -8.182 1.00 1.00 H new ATOM 0 HD21 LEU A 78 75.875 -15.378 -7.954 1.00 1.00 H new ATOM 0 HD22 LEU A 78 76.173 -13.667 -7.564 1.00 1.00 H new ATOM 0 HD23 LEU A 78 76.505 -14.927 -6.352 1.00 1.00 H new ATOM 1154 N HIS A 79 76.399 -11.943 -4.016 1.00 1.00 N ATOM 1155 CA HIS A 79 77.662 -11.171 -3.827 1.00 1.00 C ATOM 1156 C HIS A 79 78.670 -11.531 -4.923 1.00 1.00 C ATOM 1157 O HIS A 79 79.776 -11.029 -4.941 1.00 1.00 O ATOM 1158 CB HIS A 79 78.262 -11.505 -2.457 1.00 1.00 C ATOM 1159 CG HIS A 79 79.502 -10.682 -2.238 1.00 1.00 C ATOM 1160 ND1 HIS A 79 80.746 -11.082 -2.704 1.00 1.00 N ATOM 1161 CD2 HIS A 79 79.706 -9.480 -1.605 1.00 1.00 C ATOM 1162 CE1 HIS A 79 81.636 -10.138 -2.349 1.00 1.00 C ATOM 1163 NE2 HIS A 79 81.054 -9.142 -1.679 1.00 1.00 N ATOM 0 H HIS A 79 75.551 -11.379 -4.073 1.00 1.00 H new ATOM 0 HA HIS A 79 77.439 -10.106 -3.884 1.00 1.00 H new ATOM 0 HB2 HIS A 79 77.535 -11.303 -1.671 1.00 1.00 H new ATOM 0 HB3 HIS A 79 78.503 -12.567 -2.403 1.00 1.00 H new ATOM 0 HD1 HIS A 79 80.949 -11.937 -3.222 1.00 1.00 H new ATOM 0 HD2 HIS A 79 78.940 -8.889 -1.125 1.00 1.00 H new ATOM 0 HE1 HIS A 79 82.691 -10.181 -2.578 1.00 1.00 H new ATOM 1172 N GLU A 80 78.305 -12.394 -5.835 1.00 1.00 N ATOM 1173 CA GLU A 80 79.258 -12.776 -6.920 1.00 1.00 C ATOM 1174 C GLU A 80 78.956 -11.967 -8.186 1.00 1.00 C ATOM 1175 O GLU A 80 79.753 -11.913 -9.102 1.00 1.00 O ATOM 1176 CB GLU A 80 79.124 -14.274 -7.220 1.00 1.00 C ATOM 1177 CG GLU A 80 80.425 -14.788 -7.840 1.00 1.00 C ATOM 1178 CD GLU A 80 80.174 -16.144 -8.502 1.00 1.00 C ATOM 1179 OE1 GLU A 80 79.198 -16.257 -9.225 1.00 1.00 O ATOM 1180 OE2 GLU A 80 80.963 -17.047 -8.275 1.00 1.00 O ATOM 0 H GLU A 80 77.393 -12.849 -5.876 1.00 1.00 H new ATOM 0 HA GLU A 80 80.276 -12.563 -6.594 1.00 1.00 H new ATOM 0 HB2 GLU A 80 78.904 -14.821 -6.303 1.00 1.00 H new ATOM 0 HB3 GLU A 80 78.291 -14.446 -7.901 1.00 1.00 H new ATOM 0 HG2 GLU A 80 80.796 -14.075 -8.576 1.00 1.00 H new ATOM 0 HG3 GLU A 80 81.193 -14.883 -7.073 1.00 1.00 H new ATOM 1187 N LEU A 81 77.816 -11.330 -8.246 1.00 1.00 N ATOM 1188 CA LEU A 81 77.481 -10.520 -9.454 1.00 1.00 C ATOM 1189 C LEU A 81 77.972 -9.086 -9.246 1.00 1.00 C ATOM 1190 O LEU A 81 77.898 -8.256 -10.132 1.00 1.00 O ATOM 1191 CB LEU A 81 75.962 -10.517 -9.679 1.00 1.00 C ATOM 1192 CG LEU A 81 75.243 -10.586 -8.331 1.00 1.00 C ATOM 1193 CD1 LEU A 81 75.708 -9.429 -7.444 1.00 1.00 C ATOM 1194 CD2 LEU A 81 73.733 -10.481 -8.553 1.00 1.00 C ATOM 0 H LEU A 81 77.105 -11.335 -7.514 1.00 1.00 H new ATOM 0 HA LEU A 81 77.967 -10.954 -10.328 1.00 1.00 H new ATOM 0 HB2 LEU A 81 75.665 -9.615 -10.215 1.00 1.00 H new ATOM 0 HB3 LEU A 81 75.675 -11.366 -10.300 1.00 1.00 H new ATOM 0 HG LEU A 81 75.475 -11.533 -7.844 1.00 1.00 H new ATOM 0 HD11 LEU A 81 75.195 -9.478 -6.483 1.00 1.00 H new ATOM 0 HD12 LEU A 81 76.784 -9.502 -7.285 1.00 1.00 H new ATOM 0 HD13 LEU A 81 75.476 -8.482 -7.931 1.00 1.00 H new ATOM 0 HD21 LEU A 81 73.220 -10.530 -7.593 1.00 1.00 H new ATOM 0 HD22 LEU A 81 73.502 -9.534 -9.040 1.00 1.00 H new ATOM 0 HD23 LEU A 81 73.400 -11.304 -9.185 1.00 1.00 H new ATOM 1206 N ALA A 82 78.467 -8.788 -8.076 1.00 1.00 N ATOM 1207 CA ALA A 82 78.959 -7.411 -7.797 1.00 1.00 C ATOM 1208 C ALA A 82 80.219 -7.136 -8.617 1.00 1.00 C ATOM 1209 O ALA A 82 80.152 -6.663 -9.734 1.00 1.00 O ATOM 1210 CB ALA A 82 79.278 -7.278 -6.308 1.00 1.00 C ATOM 0 H ALA A 82 78.552 -9.443 -7.298 1.00 1.00 H new ATOM 0 HA ALA A 82 78.189 -6.690 -8.071 1.00 1.00 H new ATOM 0 HB1 ALA A 82 79.638 -6.270 -6.102 1.00 1.00 H new ATOM 0 HB2 ALA A 82 78.377 -7.468 -5.725 1.00 1.00 H new ATOM 0 HB3 ALA A 82 80.046 -8.001 -6.034 1.00 1.00 H new ATOM 1216 N GLN A 83 81.370 -7.424 -8.069 1.00 1.00 N ATOM 1217 CA GLN A 83 82.634 -7.172 -8.815 1.00 1.00 C ATOM 1218 C GLN A 83 82.675 -5.703 -9.244 1.00 1.00 C ATOM 1219 O GLN A 83 83.265 -4.871 -8.583 1.00 1.00 O ATOM 1220 CB GLN A 83 82.689 -8.075 -10.050 1.00 1.00 C ATOM 1221 CG GLN A 83 82.245 -9.489 -9.669 1.00 1.00 C ATOM 1222 CD GLN A 83 82.444 -10.426 -10.862 1.00 1.00 C ATOM 1223 OE1 GLN A 83 82.167 -10.063 -11.987 1.00 1.00 O ATOM 1224 NE2 GLN A 83 82.917 -11.625 -10.661 1.00 1.00 N ATOM 0 H GLN A 83 81.488 -7.823 -7.138 1.00 1.00 H new ATOM 0 HA GLN A 83 83.490 -7.390 -8.177 1.00 1.00 H new ATOM 0 HB2 GLN A 83 82.043 -7.678 -10.833 1.00 1.00 H new ATOM 0 HB3 GLN A 83 83.702 -8.097 -10.453 1.00 1.00 H new ATOM 0 HG2 GLN A 83 82.821 -9.844 -8.814 1.00 1.00 H new ATOM 0 HG3 GLN A 83 81.197 -9.484 -9.368 1.00 1.00 H new ATOM 0 HE21 GLN A 83 83.150 -11.930 -9.716 1.00 1.00 H new ATOM 0 HE22 GLN A 83 83.054 -12.258 -11.449 1.00 1.00 H new ATOM 1233 N TYR A 84 82.037 -5.378 -10.338 1.00 1.00 N ATOM 1234 CA TYR A 84 82.013 -3.964 -10.813 1.00 1.00 C ATOM 1235 C TYR A 84 80.553 -3.550 -11.009 1.00 1.00 C ATOM 1236 O TYR A 84 80.196 -2.933 -11.993 1.00 1.00 O ATOM 1237 CB TYR A 84 82.768 -3.853 -12.143 1.00 1.00 C ATOM 1238 CG TYR A 84 82.501 -5.082 -12.978 1.00 1.00 C ATOM 1239 CD1 TYR A 84 83.219 -6.260 -12.740 1.00 1.00 C ATOM 1240 CD2 TYR A 84 81.535 -5.044 -13.991 1.00 1.00 C ATOM 1241 CE1 TYR A 84 82.972 -7.400 -13.514 1.00 1.00 C ATOM 1242 CE2 TYR A 84 81.288 -6.184 -14.765 1.00 1.00 C ATOM 1243 CZ TYR A 84 82.006 -7.362 -14.527 1.00 1.00 C ATOM 1244 OH TYR A 84 81.762 -8.486 -15.290 1.00 1.00 O ATOM 0 H TYR A 84 81.528 -6.037 -10.927 1.00 1.00 H new ATOM 0 HA TYR A 84 82.493 -3.312 -10.083 1.00 1.00 H new ATOM 0 HB2 TYR A 84 82.450 -2.959 -12.680 1.00 1.00 H new ATOM 0 HB3 TYR A 84 83.837 -3.751 -11.959 1.00 1.00 H new ATOM 0 HD1 TYR A 84 83.964 -6.289 -11.959 1.00 1.00 H new ATOM 0 HD2 TYR A 84 80.981 -4.136 -14.175 1.00 1.00 H new ATOM 0 HE1 TYR A 84 83.526 -8.308 -13.330 1.00 1.00 H new ATOM 0 HE2 TYR A 84 80.543 -6.155 -15.546 1.00 1.00 H new ATOM 0 HH TYR A 84 81.062 -8.290 -15.947 1.00 1.00 H new ATOM 1254 N GLY A 85 79.707 -3.902 -10.075 1.00 1.00 N ATOM 1255 CA GLY A 85 78.259 -3.557 -10.183 1.00 1.00 C ATOM 1256 C GLY A 85 78.083 -2.177 -10.825 1.00 1.00 C ATOM 1257 O GLY A 85 78.546 -1.179 -10.311 1.00 1.00 O ATOM 0 H GLY A 85 79.961 -4.419 -9.234 1.00 1.00 H new ATOM 0 HA2 GLY A 85 77.743 -4.310 -10.778 1.00 1.00 H new ATOM 0 HA3 GLY A 85 77.802 -3.565 -9.193 1.00 1.00 H new ATOM 1261 N ILE A 86 77.409 -2.115 -11.942 1.00 1.00 N ATOM 1262 CA ILE A 86 77.193 -0.802 -12.613 1.00 1.00 C ATOM 1263 C ILE A 86 75.977 -0.115 -11.991 1.00 1.00 C ATOM 1264 O ILE A 86 74.950 -0.726 -11.771 1.00 1.00 O ATOM 1265 CB ILE A 86 76.948 -1.015 -14.111 1.00 1.00 C ATOM 1266 CG1 ILE A 86 76.857 0.343 -14.810 1.00 1.00 C ATOM 1267 CG2 ILE A 86 75.638 -1.779 -14.311 1.00 1.00 C ATOM 1268 CD1 ILE A 86 76.597 0.134 -16.303 1.00 1.00 C ATOM 0 H ILE A 86 76.999 -2.918 -12.419 1.00 1.00 H new ATOM 0 HA ILE A 86 78.078 -0.179 -12.482 1.00 1.00 H new ATOM 0 HB ILE A 86 77.772 -1.589 -14.536 1.00 1.00 H new ATOM 0 HG12 ILE A 86 76.056 0.937 -14.370 1.00 1.00 H new ATOM 0 HG13 ILE A 86 77.783 0.900 -14.666 1.00 1.00 H new ATOM 0 HG21 ILE A 86 75.464 -1.930 -15.376 1.00 1.00 H new ATOM 0 HG22 ILE A 86 75.701 -2.746 -13.813 1.00 1.00 H new ATOM 0 HG23 ILE A 86 74.814 -1.205 -13.887 1.00 1.00 H new ATOM 0 HD11 ILE A 86 76.532 1.102 -16.800 1.00 1.00 H new ATOM 0 HD12 ILE A 86 77.413 -0.443 -16.737 1.00 1.00 H new ATOM 0 HD13 ILE A 86 75.660 -0.406 -16.437 1.00 1.00 H new ATOM 1280 N CYS A 87 76.087 1.150 -11.702 1.00 1.00 N ATOM 1281 CA CYS A 87 74.939 1.876 -11.091 1.00 1.00 C ATOM 1282 C CYS A 87 73.937 2.259 -12.183 1.00 1.00 C ATOM 1283 CB CYS A 87 75.452 3.141 -10.396 1.00 1.00 C ATOM 1284 SG CYS A 87 77.148 2.868 -9.824 1.00 1.00 S ATOM 0 H CYS A 87 76.922 1.714 -11.862 1.00 1.00 H new ATOM 0 HA CYS A 87 74.447 1.234 -10.360 1.00 1.00 H new ATOM 0 HB2 CYS A 87 75.420 3.986 -11.084 1.00 1.00 H new ATOM 0 HB3 CYS A 87 74.808 3.392 -9.553 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 57.110 -9.328 1.809 1.00 1.00 C HETATM 1291 O1G RCY A 110 61.820 -8.682 -0.150 1.00 1.00 O HETATM 1292 O1H RCY A 110 57.485 -6.906 -0.746 1.00 1.00 O HETATM 1293 O1J RCY A 110 57.082 -8.286 4.635 1.00 1.00 O HETATM 1294 C1L RCY A 110 60.582 -7.909 -2.114 1.00 1.00 C HETATM 1295 C1M RCY A 110 59.863 -6.921 2.375 1.00 1.00 C HETATM 1296 C1P RCY A 110 60.777 -8.240 -0.629 1.00 1.00 C HETATM 1297 C1Q RCY A 110 58.526 -7.543 -0.903 1.00 1.00 C HETATM 1298 N1R RCY A 110 59.515 -7.951 0.181 1.00 1.00 N HETATM 1299 C1S RCY A 110 59.062 -8.070 -2.222 1.00 1.00 C HETATM 1300 C1U RCY A 110 59.290 -8.044 1.692 1.00 1.00 C HETATM 1301 C1V RCY A 110 57.090 -6.825 1.403 1.00 1.00 C HETATM 1302 N1V RCY A 110 57.930 -7.750 3.574 1.00 1.00 N HETATM 1303 C1W RCY A 110 59.132 -6.819 3.720 1.00 1.00 C HETATM 1304 C1X RCY A 110 57.812 -7.994 2.076 1.00 1.00 C HETATM 1305 C1Y RCY A 110 58.669 -5.382 3.973 1.00 1.00 C HETATM 1306 C1Z RCY A 110 60.011 -7.313 4.869 1.00 1.00 C HETATM 0 H1ZB RCY A 110 60.280 -8.356 4.699 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 60.917 -6.708 4.920 1.00 1.00 H new HETATM 0 H1YB RCY A 110 59.534 -4.719 3.990 1.00 1.00 H new HETATM 0 H1YA RCY A 110 57.990 -5.073 3.178 1.00 1.00 H new HETATM 0 H1VB RCY A 110 57.062 -6.986 0.325 1.00 1.00 H new HETATM 0 H1VA RCY A 110 56.072 -6.757 1.786 1.00 1.00 H new HETATM 0 H1MA RCY A 110 60.934 -7.061 2.524 1.00 1.00 H new HETATM 0 H1LA RCY A 110 60.914 -6.901 -2.364 1.00 1.00 H new HETATM 0 H1CB RCY A 110 57.180 -9.570 0.749 1.00 1.00 H new HETATM 0 H1CA RCY A 110 57.589 -10.114 2.393 1.00 1.00 H new HETATM 0 H1Z RCY A 110 59.464 -7.228 5.808 1.00 1.00 H new HETATM 0 H1Y RCY A 110 58.153 -5.330 4.932 1.00 1.00 H new HETATM 0 H1V RCY A 110 57.621 -5.897 1.618 1.00 1.00 H new HETATM 0 H1U RCY A 110 59.746 -8.993 1.973 1.00 1.00 H new HETATM 0 H1M RCY A 110 59.738 -6.007 1.794 1.00 1.00 H new HETATM 0 H1L RCY A 110 61.122 -8.594 -2.768 1.00 1.00 H new HETATM 0 H1C RCY A 110 56.061 -9.251 2.095 1.00 1.00 H new HETATM 1309 C1C RCY A 121 59.370 2.050 5.190 1.00 1.00 C HETATM 1310 O1G RCY A 121 63.512 1.050 4.006 1.00 1.00 O HETATM 1311 O1H RCY A 121 61.419 1.447 8.220 1.00 1.00 O HETATM 1312 O1J RCY A 121 60.404 2.059 2.361 1.00 1.00 O HETATM 1313 C1L RCY A 121 64.087 2.259 6.054 1.00 1.00 C HETATM 1314 C1M RCY A 121 61.351 -0.993 4.481 1.00 1.00 C HETATM 1315 C1P RCY A 121 63.215 1.373 5.155 1.00 1.00 C HETATM 1316 C1Q RCY A 121 62.025 1.703 7.181 1.00 1.00 C HETATM 1317 N1R RCY A 121 61.932 0.942 5.864 1.00 1.00 N HETATM 1318 C1S RCY A 121 63.008 2.840 6.974 1.00 1.00 C HETATM 1319 C1U RCY A 121 60.832 -0.007 5.385 1.00 1.00 C HETATM 1320 C1V RCY A 121 58.524 -0.190 4.358 1.00 1.00 C HETATM 1321 N1V RCY A 121 60.487 0.911 3.260 1.00 1.00 N HETATM 1322 C1W RCY A 121 61.336 -0.348 3.089 1.00 1.00 C HETATM 1323 C1X RCY A 121 59.748 0.702 4.574 1.00 1.00 C HETATM 1324 C1Y RCY A 121 60.696 -1.290 2.066 1.00 1.00 C HETATM 1325 C1Z RCY A 121 62.743 0.053 2.648 1.00 1.00 C HETATM 0 H1ZB RCY A 121 63.156 0.770 3.358 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 63.379 -0.831 2.613 1.00 1.00 H new HETATM 0 H1YB RCY A 121 61.266 -2.218 2.019 1.00 1.00 H new HETATM 0 H1YA RCY A 121 59.671 -1.509 2.365 1.00 1.00 H new HETATM 0 H1VB RCY A 121 58.037 -0.377 5.315 1.00 1.00 H new HETATM 0 H1VA RCY A 121 57.825 0.308 3.686 1.00 1.00 H new HETATM 0 H1MA RCY A 121 62.362 -1.286 4.763 1.00 1.00 H new HETATM 0 H1LA RCY A 121 64.838 1.688 6.600 1.00 1.00 H new HETATM 0 H1Z RCY A 121 62.698 0.507 1.658 1.00 1.00 H new HETATM 0 H1Y RCY A 121 60.695 -0.815 1.085 1.00 1.00 H new HETATM 0 H1V RCY A 121 58.837 -1.137 3.919 1.00 1.00 H new HETATM 0 H1U RCY A 121 60.430 -0.437 6.302 1.00 1.00 H new HETATM 0 H1S RCY A 121 62.524 3.704 6.520 1.00 1.00 H new HETATM 0 H1M RCY A 121 60.741 -1.896 4.498 1.00 1.00 H new HETATM 0 H1L RCY A 121 64.617 3.029 5.494 1.00 1.00 H new HETATM 1328 C1C RCY A 130 73.945 16.638 -1.879 1.00 1.00 C HETATM 1329 O1G RCY A 130 68.853 17.324 -0.863 1.00 1.00 O HETATM 1330 O1H RCY A 130 73.298 15.981 -0.005 1.00 1.00 O HETATM 1331 O1J RCY A 130 73.480 13.748 -2.586 1.00 1.00 O HETATM 1332 C1L RCY A 130 70.029 16.624 1.165 1.00 1.00 C HETATM 1333 C1M RCY A 130 70.617 16.158 -3.423 1.00 1.00 C HETATM 1334 C1P RCY A 130 69.885 16.915 -0.334 1.00 1.00 C HETATM 1335 C1Q RCY A 130 72.070 16.056 0.007 1.00 1.00 C HETATM 1336 N1R RCY A 130 71.184 16.634 -1.089 1.00 1.00 N HETATM 1337 C1S RCY A 130 71.156 15.586 1.124 1.00 1.00 C HETATM 1338 C1U RCY A 130 71.518 16.869 -2.563 1.00 1.00 C HETATM 1339 C1V RCY A 130 73.331 16.832 -4.331 1.00 1.00 C HETATM 1340 N1V RCY A 130 72.604 14.842 -2.996 1.00 1.00 N HETATM 1341 C1W RCY A 130 71.190 14.742 -3.566 1.00 1.00 C HETATM 1342 C1X RCY A 130 72.896 16.335 -2.951 1.00 1.00 C HETATM 1343 C1Y RCY A 130 71.234 14.325 -5.038 1.00 1.00 C HETATM 1344 C1Z RCY A 130 70.389 13.733 -2.744 1.00 1.00 C HETATM 0 H1ZB RCY A 130 70.420 14.015 -1.691 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 69.354 13.724 -3.087 1.00 1.00 H new HETATM 0 H1YB RCY A 130 70.225 14.341 -5.451 1.00 1.00 H new HETATM 0 H1YA RCY A 130 71.865 15.019 -5.594 1.00 1.00 H new HETATM 0 H1VB RCY A 130 73.483 17.911 -4.298 1.00 1.00 H new HETATM 0 H1VA RCY A 130 74.262 16.343 -4.617 1.00 1.00 H new HETATM 0 H1MA RCY A 130 69.613 16.131 -2.998 1.00 1.00 H new HETATM 0 H1LA RCY A 130 70.299 17.511 1.738 1.00 1.00 H new HETATM 0 H1CB RCY A 130 74.023 17.716 -1.740 1.00 1.00 H new HETATM 0 H1CA RCY A 130 73.650 16.172 -0.939 1.00 1.00 H new HETATM 0 H1Z RCY A 130 70.820 12.740 -2.867 1.00 1.00 H new HETATM 0 H1Y RCY A 130 71.643 13.318 -5.119 1.00 1.00 H new HETATM 0 H1V RCY A 130 72.558 16.597 -5.063 1.00 1.00 H new HETATM 0 H1U RCY A 130 71.458 17.951 -2.682 1.00 1.00 H new HETATM 0 H1S RCY A 130 70.768 14.587 0.925 1.00 1.00 H new HETATM 0 H1M RCY A 130 70.539 16.646 -4.394 1.00 1.00 H new HETATM 0 H1L RCY A 130 69.113 16.228 1.603 1.00 1.00 H new HETATM 0 H1C RCY A 130 74.911 16.242 -2.193 1.00 1.00 H new HETATM 1347 C1C RCY A 138 83.858 -0.116 -3.597 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.187 -0.753 0.955 1.00 1.00 O HETATM 1349 O1H RCY A 138 86.270 1.977 -1.355 1.00 1.00 O HETATM 1350 O1J RCY A 138 83.990 -2.979 -4.519 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.004 1.525 1.315 1.00 1.00 C HETATM 1352 C1M RCY A 138 85.219 -2.312 -0.948 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.933 0.163 0.613 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.635 1.418 -0.462 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.903 0.086 -0.565 1.00 1.00 N HETATM 1356 C1S RCY A 138 85.436 1.932 0.952 1.00 1.00 C HETATM 1357 C1U RCY A 138 85.097 -1.034 -1.589 1.00 1.00 C HETATM 1358 C1V RCY A 138 82.582 -1.281 -1.742 1.00 1.00 C HETATM 1359 N1V RCY A 138 84.224 -2.551 -3.143 1.00 1.00 N HETATM 1360 C1W RCY A 138 84.852 -3.358 -2.008 1.00 1.00 C HETATM 1361 C1X RCY A 138 83.897 -1.201 -2.520 1.00 1.00 C HETATM 1362 C1Y RCY A 138 83.844 -4.364 -1.444 1.00 1.00 C HETATM 1363 C1Z RCY A 138 86.094 -4.077 -2.532 1.00 1.00 C HETATM 0 H1ZB RCY A 138 86.772 -3.351 -2.981 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 86.597 -4.582 -1.707 1.00 1.00 H new HETATM 0 H1YB RCY A 138 84.279 -4.871 -0.583 1.00 1.00 H new HETATM 0 H1YA RCY A 138 82.939 -3.839 -1.137 1.00 1.00 H new HETATM 0 H1VB RCY A 138 82.388 -0.325 -1.256 1.00 1.00 H new HETATM 0 H1VA RCY A 138 81.767 -1.511 -2.428 1.00 1.00 H new HETATM 0 H1LA RCY A 138 83.262 2.228 0.938 1.00 1.00 H new HETATM 0 H1CB RCY A 138 83.790 0.864 -3.124 1.00 1.00 H new HETATM 0 H1CA RCY A 138 84.766 -0.167 -4.198 1.00 1.00 H new HETATM 0 H1Z RCY A 138 85.800 -4.812 -3.282 1.00 1.00 H new HETATM 0 H1Y RCY A 138 83.595 -5.098 -2.210 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.653 -2.064 -0.987 1.00 1.00 H new HETATM 0 H1S RCY A 138 86.159 1.492 1.639 1.00 1.00 H new HETATM 0 H1M RCY A 138 84.555 -2.381 -0.087 1.00 1.00 H new HETATM 0 H1L RCY A 138 83.852 1.448 2.392 1.00 1.00 H new HETATM 0 H1C RCY A 138 82.990 -0.271 -4.238 1.00 1.00 H new HETATM 1366 C1C RCY A 150 79.069 0.738 -3.882 1.00 1.00 C HETATM 1367 O1G RCY A 150 81.869 0.595 -3.580 1.00 1.00 O HETATM 1368 O1H RCY A 150 81.439 4.326 -6.443 1.00 1.00 O HETATM 1369 O1J RCY A 150 80.689 0.507 -1.354 1.00 1.00 O HETATM 1370 C1L RCY A 150 83.093 1.331 -5.567 1.00 1.00 C HETATM 1371 C1M RCY A 150 80.396 4.031 -2.838 1.00 1.00 C HETATM 1372 C1P RCY A 150 81.997 1.405 -4.497 1.00 1.00 C HETATM 1373 C1Q RCY A 150 81.612 3.184 -6.019 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.082 2.610 -4.711 1.00 1.00 N HETATM 1375 C1S RCY A 150 82.398 2.083 -6.708 1.00 1.00 C HETATM 1376 C1U RCY A 150 79.929 3.118 -3.843 1.00 1.00 C HETATM 1377 C1V RCY A 150 77.937 2.473 -2.421 1.00 1.00 C HETATM 1378 N1V RCY A 150 80.298 1.775 -1.962 1.00 1.00 N HETATM 1379 C1W RCY A 150 80.846 3.167 -1.653 1.00 1.00 C HETATM 1380 C1X RCY A 150 79.253 2.005 -3.045 1.00 1.00 C HETATM 1381 C1Y RCY A 150 80.254 3.698 -0.345 1.00 1.00 C HETATM 1382 C1Z RCY A 150 82.371 3.096 -1.566 1.00 1.00 C HETATM 0 H1ZB RCY A 150 82.768 2.661 -2.483 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 82.775 4.100 -1.436 1.00 1.00 H new HETATM 0 H1YB RCY A 150 80.590 4.722 -0.183 1.00 1.00 H new HETATM 0 H1YA RCY A 150 79.166 3.678 -0.404 1.00 1.00 H new HETATM 0 H1MA RCY A 150 81.221 4.636 -3.214 1.00 1.00 H new HETATM 0 H1LA RCY A 150 84.018 1.814 -5.251 1.00 1.00 H new HETATM 0 H1CA RCY A 150 80.042 0.377 -4.215 1.00 1.00 H new HETATM 0 H1Z RCY A 150 82.659 2.477 -0.716 1.00 1.00 H new HETATM 0 H1Y RCY A 150 80.584 3.072 0.484 1.00 1.00 H new HETATM 0 H1U RCY A 150 79.240 3.578 -4.552 1.00 1.00 H new HETATM 0 H1S RCY A 150 81.742 1.423 -7.276 1.00 1.00 H new HETATM 0 H1M RCY A 150 79.606 4.720 -2.540 1.00 1.00 H new HETATM 0 H1L RCY A 150 83.345 0.305 -5.836 1.00 1.00 H new HETATM 0 H1C RCY A 150 78.585 -0.030 -3.278 1.00 1.00 H new HETATM 1385 C1C RCY A 160 73.647 8.995 1.220 1.00 1.00 C HETATM 1386 O1G RCY A 160 77.911 7.460 -1.753 1.00 1.00 O HETATM 1387 O1H RCY A 160 75.473 10.965 0.266 1.00 1.00 O HETATM 1388 O1J RCY A 160 72.275 6.317 1.324 1.00 1.00 O HETATM 1389 C1L RCY A 160 78.472 9.768 -1.163 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.284 6.565 -1.040 1.00 1.00 C HETATM 1391 C1P RCY A 160 77.554 8.546 -1.299 1.00 1.00 C HETATM 1392 C1Q RCY A 160 76.229 10.331 -0.468 1.00 1.00 C HETATM 1393 N1R RCY A 160 76.141 8.846 -0.800 1.00 1.00 N HETATM 1394 C1S RCY A 160 77.427 10.888 -1.215 1.00 1.00 C HETATM 1395 C1U RCY A 160 74.941 7.907 -0.664 1.00 1.00 C HETATM 1396 C1V RCY A 160 75.603 7.469 1.741 1.00 1.00 C HETATM 1397 N1V RCY A 160 73.543 6.560 0.643 1.00 1.00 N HETATM 1398 C1W RCY A 160 74.252 5.655 -0.362 1.00 1.00 C HETATM 1399 C1X RCY A 160 74.453 7.773 0.777 1.00 1.00 C HETATM 1400 C1Y RCY A 160 74.947 4.496 0.358 1.00 1.00 C HETATM 1401 C1Z RCY A 160 73.230 5.128 -1.369 1.00 1.00 C HETATM 0 H1ZB RCY A 160 72.705 5.966 -1.827 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 73.743 4.555 -2.142 1.00 1.00 H new HETATM 0 H1YB RCY A 160 75.516 3.909 -0.363 1.00 1.00 H new HETATM 0 H1YA RCY A 160 75.622 4.892 1.117 1.00 1.00 H new HETATM 0 H1VB RCY A 160 76.277 8.325 1.785 1.00 1.00 H new HETATM 0 H1VA RCY A 160 75.202 7.271 2.735 1.00 1.00 H new HETATM 0 H1MA RCY A 160 75.257 6.445 -2.123 1.00 1.00 H new HETATM 0 H1CB RCY A 160 74.271 9.886 1.152 1.00 1.00 H new HETATM 0 H1CA RCY A 160 72.777 9.111 0.574 1.00 1.00 H new HETATM 0 H1Z RCY A 160 72.513 4.486 -0.857 1.00 1.00 H new HETATM 0 H1Y RCY A 160 74.199 3.862 0.833 1.00 1.00 H new HETATM 0 H1V RCY A 160 76.150 6.594 1.390 1.00 1.00 H new HETATM 0 H1U RCY A 160 74.179 8.350 -1.306 1.00 1.00 H new HETATM 0 H1S RCY A 160 77.170 11.142 -2.243 1.00 1.00 H new HETATM 0 H1M RCY A 160 76.295 6.316 -0.717 1.00 1.00 H new HETATM 0 H1L RCY A 160 79.198 9.837 -1.973 1.00 1.00 H new HETATM 0 H1C RCY A 160 73.318 8.860 2.250 1.00 1.00 H new HETATM 1404 C1C RCY A 168 76.869 -1.371 2.930 1.00 1.00 C HETATM 1405 O1G RCY A 168 74.434 -1.059 3.161 1.00 1.00 O HETATM 1406 O1H RCY A 168 75.510 2.826 5.622 1.00 1.00 O HETATM 1407 O1J RCY A 168 75.087 -0.890 0.550 1.00 1.00 O HETATM 1408 C1L RCY A 168 73.395 0.050 5.079 1.00 1.00 C HETATM 1409 C1M RCY A 168 76.497 2.247 2.247 1.00 1.00 C HETATM 1410 C1P RCY A 168 74.459 -0.152 3.992 1.00 1.00 C HETATM 1411 C1Q RCY A 168 75.153 1.688 5.319 1.00 1.00 C HETATM 1412 N1R RCY A 168 75.551 0.913 4.069 1.00 1.00 N HETATM 1413 C1S RCY A 168 74.230 0.794 6.127 1.00 1.00 C HETATM 1414 C1U RCY A 168 76.742 1.149 3.138 1.00 1.00 C HETATM 1415 C1V RCY A 168 78.359 0.097 1.498 1.00 1.00 C HETATM 1416 N1V RCY A 168 75.872 0.151 1.208 1.00 1.00 N HETATM 1417 C1W RCY A 168 75.736 1.664 1.050 1.00 1.00 C HETATM 1418 C1X RCY A 168 77.008 -0.031 2.205 1.00 1.00 C HETATM 1419 C1Y RCY A 168 76.369 2.123 -0.266 1.00 1.00 C HETATM 1420 C1Z RCY A 168 74.255 2.041 1.096 1.00 1.00 C HETATM 0 H1ZB RCY A 168 73.809 1.653 2.012 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 74.155 3.126 1.075 1.00 1.00 H new HETATM 0 H1YB RCY A 168 76.339 3.211 -0.324 1.00 1.00 H new HETATM 0 H1VB RCY A 168 79.162 0.021 2.231 1.00 1.00 H new HETATM 0 H1VA RCY A 168 78.462 -0.701 0.763 1.00 1.00 H new HETATM 0 H1MA RCY A 168 75.913 3.025 2.739 1.00 1.00 H new HETATM 0 H1LA RCY A 168 72.546 0.637 4.728 1.00 1.00 H new HETATM 0 H1CA RCY A 168 75.857 -1.468 3.324 1.00 1.00 H new HETATM 0 H1Z RCY A 168 73.744 1.613 0.234 1.00 1.00 H new HETATM 0 H1V RCY A 168 78.417 1.063 0.996 1.00 1.00 H new HETATM 0 H1U RCY A 168 77.580 1.324 3.812 1.00 1.00 H new HETATM 0 H1S RCY A 168 74.795 0.100 6.749 1.00 1.00 H new HETATM 0 H1M RCY A 168 77.433 2.706 1.928 1.00 1.00 H new HETATM 0 H1L RCY A 168 72.997 -0.893 5.454 1.00 1.00 H new HETATM 0 H1C RCY A 168 77.066 -2.185 2.232 1.00 1.00 H new HETATM 1423 C1C RCY A 173 72.689 -0.875 0.473 1.00 1.00 C HETATM 1424 O1G RCY A 173 70.739 -2.253 -2.375 1.00 1.00 O HETATM 1425 O1H RCY A 173 73.127 -4.973 0.658 1.00 1.00 O HETATM 1426 O1J RCY A 173 74.350 -2.504 2.386 1.00 1.00 O HETATM 1427 C1L RCY A 173 70.127 -4.211 -1.041 1.00 1.00 C HETATM 1428 C1M RCY A 173 74.921 -3.204 -1.341 1.00 1.00 C HETATM 1429 C1P RCY A 173 71.076 -3.139 -1.591 1.00 1.00 C HETATM 1430 C1Q RCY A 173 72.370 -4.592 -0.234 1.00 1.00 C HETATM 1431 N1R RCY A 173 72.492 -3.307 -1.043 1.00 1.00 N HETATM 1432 C1S RCY A 173 71.137 -5.322 -0.733 1.00 1.00 C HETATM 1433 C1U RCY A 173 73.723 -2.420 -1.246 1.00 1.00 C HETATM 1434 C1V RCY A 173 75.024 -0.419 -0.403 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.555 -2.480 0.941 1.00 1.00 N HETATM 1436 C1W RCY A 173 75.389 -3.444 0.100 1.00 1.00 C HETATM 1437 C1X RCY A 173 73.984 -1.489 -0.064 1.00 1.00 C HETATM 1438 C1Y RCY A 173 76.880 -3.125 0.241 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.100 -4.877 0.547 1.00 1.00 C HETATM 0 H1ZB RCY A 173 74.028 -5.065 0.495 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 75.623 -5.575 -0.107 1.00 1.00 H new HETATM 0 H1YB RCY A 173 77.454 -3.766 -0.428 1.00 1.00 H new HETATM 0 H1YA RCY A 173 77.055 -2.081 -0.018 1.00 1.00 H new HETATM 0 H1VB RCY A 173 74.623 0.251 -1.164 1.00 1.00 H new HETATM 0 H1MA RCY A 173 74.729 -4.148 -1.851 1.00 1.00 H new HETATM 0 H1LA RCY A 173 69.590 -3.877 -0.153 1.00 1.00 H new HETATM 0 H1CB RCY A 173 72.205 -0.299 -0.316 1.00 1.00 H new HETATM 0 H1CA RCY A 173 72.020 -1.669 0.805 1.00 1.00 H new HETATM 0 H1Z RCY A 173 75.444 -5.015 1.572 1.00 1.00 H new HETATM 0 H1Y RCY A 173 77.194 -3.301 1.270 1.00 1.00 H new HETATM 0 H1V RCY A 173 75.928 -0.897 -0.781 1.00 1.00 H new HETATM 0 H1U RCY A 173 73.505 -1.861 -2.156 1.00 1.00 H new HETATM 0 H1S RCY A 173 71.359 -5.913 -1.621 1.00 1.00 H new HETATM 0 H1M RCY A 173 75.685 -2.681 -1.916 1.00 1.00 H new HETATM 0 H1L RCY A 173 69.377 -4.519 -1.770 1.00 1.00 H new HETATM 0 H1C RCY A 173 72.918 -0.219 1.313 1.00 1.00 H new HETATM 1442 C1C RCY A 176 78.875 -5.014 5.738 1.00 1.00 C HETATM 1443 O1G RCY A 176 79.874 -10.045 4.555 1.00 1.00 O HETATM 1444 O1H RCY A 176 77.073 -6.358 3.626 1.00 1.00 O HETATM 1445 O1J RCY A 176 80.173 -5.011 8.455 1.00 1.00 O HETATM 1446 C1L RCY A 176 78.621 -9.351 2.571 1.00 1.00 C HETATM 1447 C1M RCY A 176 79.484 -8.463 6.932 1.00 1.00 C HETATM 1448 C1P RCY A 176 79.098 -9.251 4.025 1.00 1.00 C HETATM 1449 C1Q RCY A 176 77.542 -7.494 3.675 1.00 1.00 C HETATM 1450 N1R RCY A 176 78.490 -8.042 4.734 1.00 1.00 N HETATM 1451 C1S RCY A 176 77.282 -8.613 2.683 1.00 1.00 C HETATM 1452 C1U RCY A 176 78.756 -7.510 6.144 1.00 1.00 C HETATM 1453 C1V RCY A 176 80.906 -6.468 5.306 1.00 1.00 C HETATM 1454 N1V RCY A 176 80.008 -6.203 7.628 1.00 1.00 N HETATM 1455 C1W RCY A 176 80.159 -7.663 8.053 1.00 1.00 C HETATM 1456 C1X RCY A 176 79.646 -6.269 6.151 1.00 1.00 C HETATM 1457 C1Y RCY A 176 81.640 -8.037 8.166 1.00 1.00 C HETATM 1458 C1Z RCY A 176 79.448 -7.871 9.390 1.00 1.00 C HETATM 0 H1ZB RCY A 176 78.412 -7.543 9.306 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 79.474 -8.928 9.655 1.00 1.00 H new HETATM 0 H1YB RCY A 176 81.731 -9.100 8.388 1.00 1.00 H new HETATM 0 H1YA RCY A 176 82.143 -7.818 7.224 1.00 1.00 H new HETATM 0 H1VB RCY A 176 80.628 -6.568 4.257 1.00 1.00 H new HETATM 0 H1VA RCY A 176 81.565 -5.608 5.427 1.00 1.00 H new HETATM 0 H1MA RCY A 176 78.816 -9.221 7.342 1.00 1.00 H new HETATM 0 H1LA RCY A 176 79.306 -8.869 1.873 1.00 1.00 H new HETATM 0 H1CB RCY A 176 78.479 -5.145 4.731 1.00 1.00 H new HETATM 0 H1CA RCY A 176 78.052 -4.848 6.433 1.00 1.00 H new HETATM 0 H1Z RCY A 176 79.951 -7.291 10.164 1.00 1.00 H new HETATM 0 H1Y RCY A 176 82.101 -7.459 8.967 1.00 1.00 H new HETATM 0 H1V RCY A 176 81.424 -7.370 5.632 1.00 1.00 H new HETATM 0 H1U RCY A 176 77.764 -7.294 6.542 1.00 1.00 H new HETATM 0 H1S RCY A 176 76.492 -9.277 3.033 1.00 1.00 H new HETATM 0 H1M RCY A 176 80.224 -8.985 6.326 1.00 1.00 H new HETATM 0 H1L RCY A 176 78.502 -10.383 2.241 1.00 1.00 H new HETATM 0 H1C RCY A 176 79.544 -4.154 5.756 1.00 1.00 H new HETATM 1461 C1C RCY A 187 79.429 3.285 -4.047 1.00 1.00 C HETATM 1462 O1G RCY A 187 77.942 -0.655 -6.170 1.00 1.00 O HETATM 1463 O1H RCY A 187 77.105 3.915 -7.011 1.00 1.00 O HETATM 1464 O1J RCY A 187 78.926 2.527 -1.176 1.00 1.00 O HETATM 1465 C1L RCY A 187 77.769 0.666 -8.222 1.00 1.00 C HETATM 1466 C1M RCY A 187 76.619 0.892 -3.767 1.00 1.00 C HETATM 1467 C1P RCY A 187 77.724 0.429 -6.707 1.00 1.00 C HETATM 1468 C1Q RCY A 187 77.101 2.688 -7.084 1.00 1.00 C HETATM 1469 N1R RCY A 187 77.374 1.709 -5.949 1.00 1.00 N HETATM 1470 C1S RCY A 187 76.821 1.865 -8.329 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.311 1.954 -4.440 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.527 0.755 -4.189 1.00 1.00 C HETATM 1473 N1V RCY A 187 78.293 1.873 -2.317 1.00 1.00 N HETATM 1474 C1W RCY A 187 77.086 0.938 -2.306 1.00 1.00 C HETATM 1475 C1X RCY A 187 78.690 1.971 -3.784 1.00 1.00 C HETATM 1476 C1Y RCY A 187 77.494 -0.458 -1.827 1.00 1.00 C HETATM 1477 C1Z RCY A 187 76.006 1.525 -1.397 1.00 1.00 C HETATM 0 H1ZA RCY A 187 75.108 0.910 -1.455 1.00 1.00 H new HETATM 0 H1YB RCY A 187 76.641 -1.133 -1.904 1.00 1.00 H new HETATM 0 H1YA RCY A 187 78.309 -0.831 -2.447 1.00 1.00 H new HETATM 0 H1VB RCY A 187 79.757 0.810 -5.253 1.00 1.00 H new HETATM 0 H1VA RCY A 187 80.455 0.745 -3.617 1.00 1.00 H new HETATM 0 H1MA RCY A 187 75.539 1.026 -3.835 1.00 1.00 H new HETATM 0 H1LA RCY A 187 78.773 0.895 -8.579 1.00 1.00 H new HETATM 0 H1CB RCY A 187 79.560 3.420 -5.121 1.00 1.00 H new HETATM 0 H1Y RCY A 187 77.822 -0.405 -0.789 1.00 1.00 H new HETATM 0 H1V RCY A 187 78.966 -0.157 -3.986 1.00 1.00 H new HETATM 0 H1U RCY A 187 76.810 2.918 -4.345 1.00 1.00 H new HETATM 0 H1S RCY A 187 75.780 1.545 -8.367 1.00 1.00 H new HETATM 0 H1M RCY A 187 76.850 -0.072 -4.220 1.00 1.00 H new HETATM 0 H1L RCY A 187 77.418 -0.196 -8.790 1.00 1.00 H new