USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=16 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 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(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 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 176 RCY N1R :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 176 RCY N1R :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 176 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Set 1.1: A 75 HIS : no HE2:sc= -2.54! C(o=-8.3!,f=-10!) USER MOD Set 1.2: A 79 HIS : no HD1:sc= -5.72! C(o=-8.3!,f=-6.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.0477 (180deg=-0.23) USER MOD Single : A 2 ASN : amide:sc= -0.0397 X(o=-0.04,f=-0.11) USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.145) USER MOD Single : A 12 SER OG : rot 180:sc=-0.00167 USER MOD Single : A 14 THR OG1 : rot -21:sc= 0.833 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0424 USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -0.143 (180deg=-0.955) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 34 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.32) USER MOD Single : A 35 THR OG1 : rot 38:sc= 0.625 USER MOD Single : A 37 GLN : amide:sc= -0.0971 X(o=-0.097,f=-0.099) USER MOD Single : A 39 LYS NZ :NH3+ -107:sc= -2.02 (180deg=-4.34!) USER MOD Single : A 40 SER OG : rot 180:sc= 0.00118 USER MOD Single : A 41 LYS NZ :NH3+ -175:sc= -0.826 (180deg=-1.03) USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= -0.0849 (180deg=-0.628) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc=-0.00499 (180deg=-0.11) USER MOD Single : A 48 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.6!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -57:sc= -0.538! USER MOD Single : A 65 THR OG1 : rot -28:sc= -0.851! USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 83 GLN : amide:sc= -1.35! K(o=-1.4!,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 57.553 17.077 12.768 1.00 1.00 N ATOM 2 CA MET A 1 56.677 15.974 13.253 1.00 1.00 C ATOM 3 C MET A 1 56.373 15.020 12.094 1.00 1.00 C ATOM 4 O MET A 1 55.346 14.371 12.063 1.00 1.00 O ATOM 5 CB MET A 1 55.369 16.563 13.793 1.00 1.00 C ATOM 6 CG MET A 1 54.716 15.565 14.751 1.00 1.00 C ATOM 7 SD MET A 1 53.121 16.216 15.306 1.00 1.00 S ATOM 8 CE MET A 1 53.103 15.417 16.930 1.00 1.00 C ATOM 0 H1 MET A 1 57.569 17.843 13.472 1.00 1.00 H new ATOM 0 H2 MET A 1 58.518 16.717 12.626 1.00 1.00 H new ATOM 0 H3 MET A 1 57.184 17.443 11.867 1.00 1.00 H new ATOM 0 HA MET A 1 57.183 15.427 14.049 1.00 1.00 H new ATOM 0 HB2 MET A 1 55.567 17.502 14.309 1.00 1.00 H new ATOM 0 HB3 MET A 1 54.692 16.788 12.969 1.00 1.00 H new ATOM 0 HG2 MET A 1 54.576 14.605 14.253 1.00 1.00 H new ATOM 0 HG3 MET A 1 55.366 15.388 15.608 1.00 1.00 H new ATOM 0 HE1 MET A 1 52.188 15.686 17.458 1.00 1.00 H new ATOM 0 HE2 MET A 1 53.144 14.335 16.804 1.00 1.00 H new ATOM 0 HE3 MET A 1 53.966 15.748 17.508 1.00 1.00 H new ATOM 17 N ASN A 2 57.258 14.932 11.139 1.00 1.00 N ATOM 18 CA ASN A 2 57.022 14.021 9.982 1.00 1.00 C ATOM 19 C ASN A 2 57.562 12.628 10.311 1.00 1.00 C ATOM 20 O ASN A 2 57.332 11.677 9.591 1.00 1.00 O ATOM 21 CB ASN A 2 57.741 14.569 8.747 1.00 1.00 C ATOM 22 CG ASN A 2 57.248 13.832 7.500 1.00 1.00 C ATOM 23 OD1 ASN A 2 56.070 13.837 7.204 1.00 1.00 O ATOM 24 ND2 ASN A 2 58.107 13.195 6.752 1.00 1.00 N ATOM 0 H ASN A 2 58.135 15.452 11.110 1.00 1.00 H new ATOM 0 HA ASN A 2 55.952 13.957 9.781 1.00 1.00 H new ATOM 0 HB2 ASN A 2 57.553 15.638 8.648 1.00 1.00 H new ATOM 0 HB3 ASN A 2 58.818 14.443 8.855 1.00 1.00 H new ATOM 0 HD21 ASN A 2 57.789 12.701 5.918 1.00 1.00 H new ATOM 0 HD22 ASN A 2 59.096 13.191 7.001 1.00 1.00 H new ATOM 31 N LEU A 3 58.280 12.500 11.393 1.00 1.00 N ATOM 32 CA LEU A 3 58.835 11.168 11.767 1.00 1.00 C ATOM 33 C LEU A 3 57.716 10.293 12.334 1.00 1.00 C ATOM 34 O LEU A 3 57.414 10.340 13.510 1.00 1.00 O ATOM 35 CB LEU A 3 59.926 11.347 12.827 1.00 1.00 C ATOM 36 CG LEU A 3 60.982 12.329 12.316 1.00 1.00 C ATOM 37 CD1 LEU A 3 61.838 12.814 13.487 1.00 1.00 C ATOM 38 CD2 LEU A 3 61.874 11.627 11.289 1.00 1.00 C ATOM 0 H LEU A 3 58.506 13.260 12.034 1.00 1.00 H new ATOM 0 HA LEU A 3 59.261 10.691 10.884 1.00 1.00 H new ATOM 0 HB2 LEU A 3 59.489 11.717 13.754 1.00 1.00 H new ATOM 0 HB3 LEU A 3 60.388 10.386 13.054 1.00 1.00 H new ATOM 0 HG LEU A 3 60.490 13.182 11.849 1.00 1.00 H new ATOM 0 HD11 LEU A 3 62.590 13.514 13.123 1.00 1.00 H new ATOM 0 HD12 LEU A 3 61.203 13.313 14.220 1.00 1.00 H new ATOM 0 HD13 LEU A 3 62.331 11.962 13.955 1.00 1.00 H new ATOM 0 HD21 LEU A 3 62.627 12.325 10.924 1.00 1.00 H new ATOM 0 HD22 LEU A 3 62.366 10.774 11.757 1.00 1.00 H new ATOM 0 HD23 LEU A 3 61.265 11.281 10.454 1.00 1.00 H new ATOM 50 N GLU A 4 57.095 9.494 11.507 1.00 1.00 N ATOM 51 CA GLU A 4 55.993 8.618 12.001 1.00 1.00 C ATOM 52 C GLU A 4 56.564 7.245 12.383 1.00 1.00 C ATOM 53 O GLU A 4 57.382 6.694 11.673 1.00 1.00 O ATOM 54 CB GLU A 4 54.952 8.442 10.893 1.00 1.00 C ATOM 55 CG GLU A 4 54.622 9.805 10.280 1.00 1.00 C ATOM 56 CD GLU A 4 53.512 9.642 9.241 1.00 1.00 C ATOM 57 OE1 GLU A 4 52.432 9.216 9.618 1.00 1.00 O ATOM 58 OE2 GLU A 4 53.759 9.947 8.086 1.00 1.00 O ATOM 0 H GLU A 4 57.303 9.410 10.512 1.00 1.00 H new ATOM 0 HA GLU A 4 55.527 9.075 12.874 1.00 1.00 H new ATOM 0 HB2 GLU A 4 55.333 7.769 10.125 1.00 1.00 H new ATOM 0 HB3 GLU A 4 54.049 7.985 11.297 1.00 1.00 H new ATOM 0 HG2 GLU A 4 54.306 10.499 11.059 1.00 1.00 H new ATOM 0 HG3 GLU A 4 55.511 10.231 9.814 1.00 1.00 H new ATOM 65 N PRO A 5 56.136 6.689 13.492 1.00 1.00 N ATOM 66 CA PRO A 5 56.616 5.357 13.957 1.00 1.00 C ATOM 67 C PRO A 5 56.750 4.353 12.800 1.00 1.00 C ATOM 68 O PRO A 5 55.763 3.935 12.226 1.00 1.00 O ATOM 69 CB PRO A 5 55.520 4.910 14.926 1.00 1.00 C ATOM 70 CG PRO A 5 54.959 6.177 15.486 1.00 1.00 C ATOM 71 CD PRO A 5 55.149 7.263 14.421 1.00 1.00 C ATOM 0 HA PRO A 5 57.608 5.410 14.406 1.00 1.00 H new ATOM 0 HB2 PRO A 5 54.752 4.331 14.413 1.00 1.00 H new ATOM 0 HB3 PRO A 5 55.925 4.275 15.714 1.00 1.00 H new ATOM 0 HG2 PRO A 5 53.903 6.056 15.729 1.00 1.00 H new ATOM 0 HG3 PRO A 5 55.470 6.449 16.410 1.00 1.00 H new ATOM 0 HD2 PRO A 5 54.212 7.492 13.914 1.00 1.00 H new ATOM 0 HD3 PRO A 5 55.510 8.193 14.860 1.00 1.00 H new ATOM 79 N PRO A 6 57.955 3.968 12.453 1.00 1.00 N ATOM 80 CA PRO A 6 58.196 3.002 11.345 1.00 1.00 C ATOM 81 C PRO A 6 57.993 1.548 11.784 1.00 1.00 C ATOM 82 O PRO A 6 58.266 1.185 12.911 1.00 1.00 O ATOM 83 CB PRO A 6 59.657 3.255 10.973 1.00 1.00 C ATOM 84 CG PRO A 6 60.302 3.714 12.240 1.00 1.00 C ATOM 85 CD PRO A 6 59.216 4.408 13.071 1.00 1.00 C ATOM 0 HA PRO A 6 57.501 3.144 10.518 1.00 1.00 H new ATOM 0 HB2 PRO A 6 60.131 2.349 10.594 1.00 1.00 H new ATOM 0 HB3 PRO A 6 59.741 4.010 10.191 1.00 1.00 H new ATOM 0 HG2 PRO A 6 60.724 2.870 12.785 1.00 1.00 H new ATOM 0 HG3 PRO A 6 61.123 4.400 12.028 1.00 1.00 H new ATOM 0 HD2 PRO A 6 59.269 4.116 14.120 1.00 1.00 H new ATOM 0 HD3 PRO A 6 59.320 5.493 13.036 1.00 1.00 H new ATOM 93 N LYS A 7 57.516 0.713 10.900 1.00 1.00 N ATOM 94 CA LYS A 7 57.295 -0.716 11.260 1.00 1.00 C ATOM 95 C LYS A 7 58.550 -1.524 10.918 1.00 1.00 C ATOM 96 O LYS A 7 58.545 -2.347 10.024 1.00 1.00 O ATOM 97 CB LYS A 7 56.104 -1.267 10.469 1.00 1.00 C ATOM 98 CG LYS A 7 54.969 -0.241 10.468 1.00 1.00 C ATOM 99 CD LYS A 7 55.295 0.880 9.478 1.00 1.00 C ATOM 100 CE LYS A 7 54.032 1.259 8.702 1.00 1.00 C ATOM 101 NZ LYS A 7 52.986 1.729 9.654 1.00 1.00 N ATOM 0 H LYS A 7 57.269 0.961 9.942 1.00 1.00 H new ATOM 0 HA LYS A 7 57.088 -0.794 12.327 1.00 1.00 H new ATOM 0 HB2 LYS A 7 56.406 -1.491 9.446 1.00 1.00 H new ATOM 0 HB3 LYS A 7 55.762 -2.202 10.912 1.00 1.00 H new ATOM 0 HG2 LYS A 7 54.030 -0.722 10.193 1.00 1.00 H new ATOM 0 HG3 LYS A 7 54.835 0.170 11.469 1.00 1.00 H new ATOM 0 HD2 LYS A 7 55.682 1.749 10.011 1.00 1.00 H new ATOM 0 HD3 LYS A 7 56.075 0.556 8.789 1.00 1.00 H new ATOM 0 HE2 LYS A 7 54.258 2.042 7.978 1.00 1.00 H new ATOM 0 HE3 LYS A 7 53.667 0.400 8.139 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 52.251 2.249 9.133 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 52.558 0.910 10.132 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 53.418 2.356 10.362 1.00 1.00 H new ATOM 115 N ALA A 8 59.626 -1.293 11.620 1.00 1.00 N ATOM 116 CA ALA A 8 60.880 -2.045 11.331 1.00 1.00 C ATOM 117 C ALA A 8 60.747 -3.484 11.835 1.00 1.00 C ATOM 118 O ALA A 8 60.814 -3.746 13.020 1.00 1.00 O ATOM 119 CB ALA A 8 62.056 -1.364 12.034 1.00 1.00 C ATOM 0 H ALA A 8 59.691 -0.616 12.381 1.00 1.00 H new ATOM 0 HA ALA A 8 61.055 -2.055 10.255 1.00 1.00 H new ATOM 0 HB1 ALA A 8 62.974 -1.913 11.823 1.00 1.00 H new ATOM 0 HB2 ALA A 8 62.154 -0.341 11.671 1.00 1.00 H new ATOM 0 HB3 ALA A 8 61.879 -1.352 13.110 1.00 1.00 H new ATOM 125 N GLU A 9 60.565 -4.419 10.943 1.00 1.00 N ATOM 126 CA GLU A 9 60.432 -5.843 11.366 1.00 1.00 C ATOM 127 C GLU A 9 60.805 -6.751 10.190 1.00 1.00 C ATOM 128 O GLU A 9 60.935 -6.305 9.068 1.00 1.00 O ATOM 129 CB GLU A 9 58.982 -6.113 11.800 1.00 1.00 C ATOM 130 CG GLU A 9 58.977 -6.835 13.149 1.00 1.00 C ATOM 131 CD GLU A 9 59.772 -8.137 13.035 1.00 1.00 C ATOM 132 OE1 GLU A 9 59.240 -9.087 12.485 1.00 1.00 O ATOM 133 OE2 GLU A 9 60.900 -8.161 13.500 1.00 1.00 O ATOM 0 H GLU A 9 60.502 -4.258 9.938 1.00 1.00 H new ATOM 0 HA GLU A 9 61.098 -6.046 12.205 1.00 1.00 H new ATOM 0 HB2 GLU A 9 58.434 -5.174 11.876 1.00 1.00 H new ATOM 0 HB3 GLU A 9 58.474 -6.719 11.050 1.00 1.00 H new ATOM 0 HG2 GLU A 9 59.414 -6.196 13.917 1.00 1.00 H new ATOM 0 HG3 GLU A 9 57.953 -7.048 13.456 1.00 1.00 H new ATOM 140 N CYS A 10 60.981 -8.021 10.437 1.00 1.00 N ATOM 141 CA CYS A 10 61.346 -8.950 9.330 1.00 1.00 C ATOM 142 C CYS A 10 60.138 -9.153 8.414 1.00 1.00 C ATOM 143 O CYS A 10 59.784 -10.265 8.075 1.00 1.00 O ATOM 144 CB CYS A 10 61.774 -10.298 9.916 1.00 1.00 C ATOM 145 SG CYS A 10 63.082 -10.036 11.140 1.00 1.00 S ATOM 0 H CYS A 10 60.888 -8.454 11.356 1.00 1.00 H new ATOM 0 HA CYS A 10 62.169 -8.525 8.756 1.00 1.00 H new ATOM 0 HB2 CYS A 10 60.921 -10.792 10.380 1.00 1.00 H new ATOM 0 HB3 CYS A 10 62.130 -10.955 9.122 1.00 1.00 H new ATOM 150 N ARG A 11 59.501 -8.088 8.009 1.00 1.00 N ATOM 151 CA ARG A 11 58.318 -8.223 7.114 1.00 1.00 C ATOM 152 C ARG A 11 58.710 -9.024 5.871 1.00 1.00 C ATOM 153 O ARG A 11 59.781 -9.593 5.800 1.00 1.00 O ATOM 154 CB ARG A 11 57.831 -6.834 6.696 1.00 1.00 C ATOM 155 CG ARG A 11 57.375 -6.059 7.934 1.00 1.00 C ATOM 156 CD ARG A 11 56.919 -4.658 7.520 1.00 1.00 C ATOM 157 NE ARG A 11 55.458 -4.677 7.232 1.00 1.00 N ATOM 158 CZ ARG A 11 55.036 -4.870 6.012 1.00 1.00 C ATOM 159 NH1 ARG A 11 55.894 -5.048 5.045 1.00 1.00 N ATOM 160 NH2 ARG A 11 53.755 -4.887 5.760 1.00 1.00 N ATOM 0 H ARG A 11 59.749 -7.131 8.259 1.00 1.00 H new ATOM 0 HA ARG A 11 57.519 -8.741 7.643 1.00 1.00 H new ATOM 0 HB2 ARG A 11 58.631 -6.294 6.190 1.00 1.00 H new ATOM 0 HB3 ARG A 11 57.008 -6.924 5.987 1.00 1.00 H new ATOM 0 HG2 ARG A 11 56.559 -6.588 8.427 1.00 1.00 H new ATOM 0 HG3 ARG A 11 58.191 -5.990 8.654 1.00 1.00 H new ATOM 0 HD2 ARG A 11 57.135 -3.944 8.315 1.00 1.00 H new ATOM 0 HD3 ARG A 11 57.470 -4.330 6.639 1.00 1.00 H new ATOM 0 HE ARG A 11 54.787 -4.539 7.988 1.00 1.00 H new ATOM 0 HH11 ARG A 11 56.895 -5.036 5.242 1.00 1.00 H new ATOM 0 HH12 ARG A 11 55.564 -5.199 4.092 1.00 1.00 H new ATOM 0 HH21 ARG A 11 53.085 -4.749 6.516 1.00 1.00 H new ATOM 0 HH22 ARG A 11 53.425 -5.038 4.807 1.00 1.00 H new ATOM 174 N SER A 12 57.851 -9.074 4.890 1.00 1.00 N ATOM 175 CA SER A 12 58.177 -9.841 3.654 1.00 1.00 C ATOM 176 C SER A 12 58.704 -11.225 4.038 1.00 1.00 C ATOM 177 O SER A 12 57.946 -12.150 4.254 1.00 1.00 O ATOM 178 CB SER A 12 59.246 -9.092 2.857 1.00 1.00 C ATOM 179 OG SER A 12 59.593 -9.853 1.708 1.00 1.00 O ATOM 0 H SER A 12 56.939 -8.618 4.891 1.00 1.00 H new ATOM 0 HA SER A 12 57.279 -9.949 3.045 1.00 1.00 H new ATOM 0 HB2 SER A 12 58.874 -8.112 2.560 1.00 1.00 H new ATOM 0 HB3 SER A 12 60.127 -8.924 3.476 1.00 1.00 H new ATOM 0 HG SER A 12 60.277 -9.375 1.194 1.00 1.00 H new ATOM 185 N ALA A 13 59.997 -11.375 4.128 1.00 1.00 N ATOM 186 CA ALA A 13 60.571 -12.698 4.500 1.00 1.00 C ATOM 187 C ALA A 13 60.044 -13.772 3.545 1.00 1.00 C ATOM 188 O ALA A 13 58.924 -14.226 3.664 1.00 1.00 O ATOM 189 CB ALA A 13 60.162 -13.046 5.933 1.00 1.00 C ATOM 0 H ALA A 13 60.681 -10.637 3.960 1.00 1.00 H new ATOM 0 HA ALA A 13 61.658 -12.654 4.432 1.00 1.00 H new ATOM 0 HB1 ALA A 13 60.582 -14.014 6.206 1.00 1.00 H new ATOM 0 HB2 ALA A 13 60.538 -12.282 6.614 1.00 1.00 H new ATOM 0 HB3 ALA A 13 59.075 -13.090 6.001 1.00 1.00 H new ATOM 195 N THR A 14 60.844 -14.181 2.598 1.00 1.00 N ATOM 196 CA THR A 14 60.388 -15.225 1.638 1.00 1.00 C ATOM 197 C THR A 14 61.596 -15.802 0.899 1.00 1.00 C ATOM 198 O THR A 14 61.884 -16.980 0.985 1.00 1.00 O ATOM 199 CB THR A 14 59.422 -14.601 0.627 1.00 1.00 C ATOM 200 OG1 THR A 14 58.248 -14.171 1.300 1.00 1.00 O ATOM 201 CG2 THR A 14 59.053 -15.637 -0.436 1.00 1.00 C ATOM 0 H THR A 14 61.793 -13.837 2.448 1.00 1.00 H new ATOM 0 HA THR A 14 59.881 -16.022 2.182 1.00 1.00 H new ATOM 0 HB THR A 14 59.900 -13.747 0.147 1.00 1.00 H new ATOM 0 HG1 THR A 14 58.168 -14.645 2.154 1.00 1.00 H new ATOM 0 HG21 THR A 14 58.365 -15.192 -1.155 1.00 1.00 H new ATOM 0 HG22 THR A 14 59.955 -15.966 -0.952 1.00 1.00 H new ATOM 0 HG23 THR A 14 58.575 -16.493 0.041 1.00 1.00 H new ATOM 209 N ARG A 15 62.306 -14.984 0.171 1.00 1.00 N ATOM 210 CA ARG A 15 63.495 -15.488 -0.574 1.00 1.00 C ATOM 211 C ARG A 15 64.443 -14.326 -0.868 1.00 1.00 C ATOM 212 O ARG A 15 64.035 -13.183 -0.926 1.00 1.00 O ATOM 213 CB ARG A 15 63.038 -16.125 -1.891 1.00 1.00 C ATOM 214 CG ARG A 15 64.130 -17.059 -2.416 1.00 1.00 C ATOM 215 CD ARG A 15 63.948 -18.451 -1.809 1.00 1.00 C ATOM 216 NE ARG A 15 64.977 -19.374 -2.366 1.00 1.00 N ATOM 217 CZ ARG A 15 65.293 -20.464 -1.721 1.00 1.00 C ATOM 218 NH1 ARG A 15 64.708 -20.745 -0.589 1.00 1.00 N ATOM 219 NH2 ARG A 15 66.193 -21.273 -2.209 1.00 1.00 N ATOM 0 H ARG A 15 62.114 -13.988 0.060 1.00 1.00 H new ATOM 0 HA ARG A 15 64.014 -16.233 0.029 1.00 1.00 H new ATOM 0 HB2 ARG A 15 62.113 -16.681 -1.736 1.00 1.00 H new ATOM 0 HB3 ARG A 15 62.824 -15.350 -2.627 1.00 1.00 H new ATOM 0 HG2 ARG A 15 64.082 -17.116 -3.503 1.00 1.00 H new ATOM 0 HG3 ARG A 15 65.114 -16.665 -2.160 1.00 1.00 H new ATOM 0 HD2 ARG A 15 64.038 -18.401 -0.724 1.00 1.00 H new ATOM 0 HD3 ARG A 15 62.949 -18.828 -2.029 1.00 1.00 H new ATOM 0 HE ARG A 15 65.434 -19.154 -3.251 1.00 1.00 H new ATOM 0 HH11 ARG A 15 64.004 -20.113 -0.208 1.00 1.00 H new ATOM 0 HH12 ARG A 15 64.955 -21.597 -0.085 1.00 1.00 H new ATOM 0 HH21 ARG A 15 66.650 -21.054 -3.094 1.00 1.00 H new ATOM 0 HH22 ARG A 15 66.440 -22.125 -1.705 1.00 1.00 H new ATOM 233 N VAL A 16 65.706 -14.617 -1.052 1.00 1.00 N ATOM 234 CA VAL A 16 66.705 -13.545 -1.344 1.00 1.00 C ATOM 235 C VAL A 16 66.304 -12.244 -0.638 1.00 1.00 C ATOM 236 O VAL A 16 66.600 -12.041 0.522 1.00 1.00 O ATOM 237 CB VAL A 16 66.786 -13.310 -2.861 1.00 1.00 C ATOM 238 CG1 VAL A 16 67.853 -14.225 -3.464 1.00 1.00 C ATOM 239 CG2 VAL A 16 65.430 -13.622 -3.497 1.00 1.00 C ATOM 0 H VAL A 16 66.091 -15.561 -1.012 1.00 1.00 H new ATOM 0 HA VAL A 16 67.681 -13.861 -0.976 1.00 1.00 H new ATOM 0 HB VAL A 16 67.049 -12.270 -3.054 1.00 1.00 H new ATOM 0 HG11 VAL A 16 67.910 -14.058 -4.540 1.00 1.00 H new ATOM 0 HG12 VAL A 16 68.820 -14.005 -3.011 1.00 1.00 H new ATOM 0 HG13 VAL A 16 67.591 -15.265 -3.272 1.00 1.00 H new ATOM 0 HG21 VAL A 16 65.486 -13.456 -4.573 1.00 1.00 H new ATOM 0 HG22 VAL A 16 65.168 -14.662 -3.304 1.00 1.00 H new ATOM 0 HG23 VAL A 16 64.669 -12.971 -3.068 1.00 1.00 H new ATOM 249 N MET A 17 65.633 -11.364 -1.330 1.00 1.00 N ATOM 250 CA MET A 17 65.216 -10.082 -0.696 1.00 1.00 C ATOM 251 C MET A 17 64.072 -9.462 -1.503 1.00 1.00 C ATOM 252 O MET A 17 63.686 -8.331 -1.283 1.00 1.00 O ATOM 253 CB MET A 17 66.406 -9.117 -0.668 1.00 1.00 C ATOM 254 CG MET A 17 66.011 -7.831 0.060 1.00 1.00 C ATOM 255 SD MET A 17 65.833 -6.488 -1.141 1.00 1.00 S ATOM 256 CE MET A 17 67.585 -6.047 -1.249 1.00 1.00 C ATOM 0 H MET A 17 65.356 -11.477 -2.305 1.00 1.00 H new ATOM 0 HA MET A 17 64.879 -10.272 0.323 1.00 1.00 H new ATOM 0 HB2 MET A 17 67.254 -9.584 -0.167 1.00 1.00 H new ATOM 0 HB3 MET A 17 66.724 -8.887 -1.685 1.00 1.00 H new ATOM 0 HG2 MET A 17 65.075 -7.978 0.598 1.00 1.00 H new ATOM 0 HG3 MET A 17 66.768 -7.573 0.801 1.00 1.00 H new ATOM 0 HE1 MET A 17 67.710 -5.222 -1.950 1.00 1.00 H new ATOM 0 HE2 MET A 17 67.946 -5.746 -0.266 1.00 1.00 H new ATOM 0 HE3 MET A 17 68.156 -6.908 -1.597 1.00 1.00 H new ATOM 266 N GLY A 18 63.526 -10.195 -2.435 1.00 1.00 N ATOM 267 CA GLY A 18 62.406 -9.650 -3.256 1.00 1.00 C ATOM 268 C GLY A 18 62.378 -10.354 -4.614 1.00 1.00 C ATOM 269 O GLY A 18 62.729 -9.783 -5.627 1.00 1.00 O ATOM 0 H GLY A 18 63.807 -11.148 -2.664 1.00 1.00 H new ATOM 0 HA2 GLY A 18 61.458 -9.796 -2.739 1.00 1.00 H new ATOM 0 HA3 GLY A 18 62.531 -8.576 -3.394 1.00 1.00 H new ATOM 273 N GLY A 19 61.963 -11.592 -4.644 1.00 1.00 N ATOM 274 CA GLY A 19 61.913 -12.332 -5.937 1.00 1.00 C ATOM 275 C GLY A 19 61.137 -11.510 -6.969 1.00 1.00 C ATOM 276 O GLY A 19 61.680 -11.083 -7.968 1.00 1.00 O ATOM 0 H GLY A 19 61.656 -12.123 -3.829 1.00 1.00 H new ATOM 0 HA2 GLY A 19 62.924 -12.525 -6.296 1.00 1.00 H new ATOM 0 HA3 GLY A 19 61.435 -13.301 -5.795 1.00 1.00 H new ATOM 280 N PRO A 20 59.872 -11.290 -6.725 1.00 1.00 N ATOM 281 CA PRO A 20 59.000 -10.503 -7.643 1.00 1.00 C ATOM 282 C PRO A 20 59.675 -9.209 -8.107 1.00 1.00 C ATOM 283 O PRO A 20 59.276 -8.602 -9.082 1.00 1.00 O ATOM 284 CB PRO A 20 57.767 -10.193 -6.790 1.00 1.00 C ATOM 285 CG PRO A 20 57.695 -11.302 -5.794 1.00 1.00 C ATOM 286 CD PRO A 20 59.132 -11.768 -5.546 1.00 1.00 C ATOM 0 HA PRO A 20 58.768 -11.049 -8.557 1.00 1.00 H new ATOM 0 HB2 PRO A 20 57.862 -9.226 -6.297 1.00 1.00 H new ATOM 0 HB3 PRO A 20 56.865 -10.152 -7.401 1.00 1.00 H new ATOM 0 HG2 PRO A 20 57.234 -10.960 -4.867 1.00 1.00 H new ATOM 0 HG3 PRO A 20 57.083 -12.121 -6.171 1.00 1.00 H new ATOM 0 HD2 PRO A 20 59.534 -11.347 -4.625 1.00 1.00 H new ATOM 0 HD3 PRO A 20 59.189 -12.852 -5.452 1.00 1.00 H new ATOM 294 N CYS A 21 60.695 -8.784 -7.414 1.00 1.00 N ATOM 295 CA CYS A 21 61.399 -7.531 -7.811 1.00 1.00 C ATOM 296 C CYS A 21 62.401 -7.839 -8.925 1.00 1.00 C ATOM 297 O CYS A 21 63.429 -8.445 -8.698 1.00 1.00 O ATOM 298 CB CYS A 21 62.141 -6.956 -6.603 1.00 1.00 C ATOM 299 SG CYS A 21 62.592 -5.235 -6.936 1.00 1.00 S ATOM 0 H CYS A 21 61.072 -9.250 -6.589 1.00 1.00 H new ATOM 0 HA CYS A 21 60.670 -6.804 -8.169 1.00 1.00 H new ATOM 0 HB2 CYS A 21 61.511 -7.013 -5.715 1.00 1.00 H new ATOM 0 HB3 CYS A 21 63.035 -7.544 -6.398 1.00 1.00 H new ATOM 304 N THR A 22 62.109 -7.426 -10.129 1.00 1.00 N ATOM 305 CA THR A 22 63.045 -7.693 -11.259 1.00 1.00 C ATOM 306 C THR A 22 64.035 -6.528 -11.384 1.00 1.00 C ATOM 307 O THR A 22 63.731 -5.411 -11.015 1.00 1.00 O ATOM 308 CB THR A 22 62.244 -7.823 -12.561 1.00 1.00 C ATOM 309 OG1 THR A 22 61.180 -6.882 -12.556 1.00 1.00 O ATOM 310 CG2 THR A 22 61.675 -9.239 -12.674 1.00 1.00 C ATOM 0 H THR A 22 61.262 -6.915 -10.379 1.00 1.00 H new ATOM 0 HA THR A 22 63.591 -8.618 -11.072 1.00 1.00 H new ATOM 0 HB THR A 22 62.898 -7.628 -13.411 1.00 1.00 H new ATOM 0 HG1 THR A 22 60.668 -6.962 -13.388 1.00 1.00 H new ATOM 0 HG21 THR A 22 61.106 -9.330 -13.599 1.00 1.00 H new ATOM 0 HG22 THR A 22 62.492 -9.960 -12.678 1.00 1.00 H new ATOM 0 HG23 THR A 22 61.021 -9.437 -11.825 1.00 1.00 H new ATOM 318 N PRO A 23 65.209 -6.784 -11.904 1.00 1.00 N ATOM 319 CA PRO A 23 66.253 -5.738 -12.084 1.00 1.00 C ATOM 320 C PRO A 23 65.664 -4.404 -12.554 1.00 1.00 C ATOM 321 O PRO A 23 64.523 -4.328 -12.967 1.00 1.00 O ATOM 322 CB PRO A 23 67.162 -6.334 -13.158 1.00 1.00 C ATOM 323 CG PRO A 23 67.058 -7.813 -12.974 1.00 1.00 C ATOM 324 CD PRO A 23 65.673 -8.097 -12.382 1.00 1.00 C ATOM 0 HA PRO A 23 66.768 -5.505 -11.152 1.00 1.00 H new ATOM 0 HB2 PRO A 23 66.841 -6.037 -14.156 1.00 1.00 H new ATOM 0 HB3 PRO A 23 68.190 -5.993 -13.039 1.00 1.00 H new ATOM 0 HG2 PRO A 23 67.183 -8.329 -13.926 1.00 1.00 H new ATOM 0 HG3 PRO A 23 67.843 -8.175 -12.309 1.00 1.00 H new ATOM 0 HD2 PRO A 23 64.997 -8.510 -13.131 1.00 1.00 H new ATOM 0 HD3 PRO A 23 65.728 -8.820 -11.568 1.00 1.00 H new ATOM 332 N ARG A 24 66.433 -3.351 -12.493 1.00 1.00 N ATOM 333 CA ARG A 24 65.917 -2.025 -12.934 1.00 1.00 C ATOM 334 C ARG A 24 65.943 -1.946 -14.463 1.00 1.00 C ATOM 335 O ARG A 24 66.159 -2.931 -15.141 1.00 1.00 O ATOM 336 CB ARG A 24 66.796 -0.918 -12.348 1.00 1.00 C ATOM 337 CG ARG A 24 68.206 -1.021 -12.934 1.00 1.00 C ATOM 338 CD ARG A 24 69.168 -0.173 -12.099 1.00 1.00 C ATOM 339 NE ARG A 24 68.617 1.203 -11.950 1.00 1.00 N ATOM 340 CZ ARG A 24 69.217 2.066 -11.177 1.00 1.00 C ATOM 341 NH1 ARG A 24 70.300 1.724 -10.534 1.00 1.00 N ATOM 342 NH2 ARG A 24 68.734 3.271 -11.046 1.00 1.00 N ATOM 0 H ARG A 24 67.396 -3.352 -12.157 1.00 1.00 H new ATOM 0 HA ARG A 24 64.892 -1.899 -12.585 1.00 1.00 H new ATOM 0 HB2 ARG A 24 66.368 0.059 -12.573 1.00 1.00 H new ATOM 0 HB3 ARG A 24 66.835 -1.006 -11.262 1.00 1.00 H new ATOM 0 HG2 ARG A 24 68.533 -2.061 -12.941 1.00 1.00 H new ATOM 0 HG3 ARG A 24 68.207 -0.679 -13.969 1.00 1.00 H new ATOM 0 HD2 ARG A 24 69.312 -0.627 -11.118 1.00 1.00 H new ATOM 0 HD3 ARG A 24 70.146 -0.135 -12.579 1.00 1.00 H new ATOM 0 HE ARG A 24 67.771 1.471 -12.452 1.00 1.00 H new ATOM 0 HH11 ARG A 24 70.677 0.782 -10.636 1.00 1.00 H new ATOM 0 HH12 ARG A 24 70.769 2.399 -9.930 1.00 1.00 H new ATOM 0 HH21 ARG A 24 67.887 3.538 -11.548 1.00 1.00 H new ATOM 0 HH22 ARG A 24 69.203 3.946 -10.442 1.00 1.00 H new ATOM 356 N LYS A 25 65.720 -0.778 -15.008 1.00 1.00 N ATOM 357 CA LYS A 25 65.724 -0.619 -16.493 1.00 1.00 C ATOM 358 C LYS A 25 66.858 -1.448 -17.106 1.00 1.00 C ATOM 359 O LYS A 25 66.644 -2.239 -18.004 1.00 1.00 O ATOM 360 CB LYS A 25 65.927 0.862 -16.839 1.00 1.00 C ATOM 361 CG LYS A 25 65.313 1.160 -18.209 1.00 1.00 C ATOM 362 CD LYS A 25 63.813 1.414 -18.052 1.00 1.00 C ATOM 363 CE LYS A 25 63.274 2.086 -19.316 1.00 1.00 C ATOM 364 NZ LYS A 25 64.011 1.572 -20.505 1.00 1.00 N ATOM 0 H LYS A 25 65.534 0.078 -14.485 1.00 1.00 H new ATOM 0 HA LYS A 25 64.773 -0.967 -16.896 1.00 1.00 H new ATOM 0 HB2 LYS A 25 65.464 1.490 -16.078 1.00 1.00 H new ATOM 0 HB3 LYS A 25 66.990 1.101 -16.846 1.00 1.00 H new ATOM 0 HG2 LYS A 25 65.795 2.030 -18.654 1.00 1.00 H new ATOM 0 HG3 LYS A 25 65.482 0.322 -18.885 1.00 1.00 H new ATOM 0 HD2 LYS A 25 63.291 0.474 -17.876 1.00 1.00 H new ATOM 0 HD3 LYS A 25 63.630 2.047 -17.184 1.00 1.00 H new ATOM 0 HE2 LYS A 25 62.208 1.885 -19.421 1.00 1.00 H new ATOM 0 HE3 LYS A 25 63.389 3.167 -19.243 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 63.483 1.809 -21.369 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 64.954 2.009 -20.544 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 64.111 0.539 -20.432 1.00 1.00 H new ATOM 378 N GLY A 26 68.062 -1.276 -16.632 1.00 1.00 N ATOM 379 CA GLY A 26 69.199 -2.057 -17.196 1.00 1.00 C ATOM 380 C GLY A 26 70.427 -1.907 -16.295 1.00 1.00 C ATOM 381 O GLY A 26 70.354 -1.347 -15.220 1.00 1.00 O ATOM 0 H GLY A 26 68.307 -0.631 -15.881 1.00 1.00 H new ATOM 0 HA2 GLY A 26 68.924 -3.108 -17.280 1.00 1.00 H new ATOM 0 HA3 GLY A 26 69.430 -1.707 -18.202 1.00 1.00 H new ATOM 385 N PRO A 27 71.548 -2.410 -16.738 1.00 1.00 N ATOM 386 CA PRO A 27 72.825 -2.339 -15.970 1.00 1.00 C ATOM 387 C PRO A 27 73.114 -0.917 -15.460 1.00 1.00 C ATOM 388 O PRO A 27 72.976 0.043 -16.192 1.00 1.00 O ATOM 389 CB PRO A 27 73.884 -2.768 -16.991 1.00 1.00 C ATOM 390 CG PRO A 27 73.157 -3.625 -17.973 1.00 1.00 C ATOM 391 CD PRO A 27 71.719 -3.106 -18.024 1.00 1.00 C ATOM 0 HA PRO A 27 72.801 -2.966 -15.078 1.00 1.00 H new ATOM 0 HB2 PRO A 27 74.333 -1.903 -17.480 1.00 1.00 H new ATOM 0 HB3 PRO A 27 74.693 -3.319 -16.511 1.00 1.00 H new ATOM 0 HG2 PRO A 27 73.624 -3.570 -18.956 1.00 1.00 H new ATOM 0 HG3 PRO A 27 73.181 -4.671 -17.667 1.00 1.00 H new ATOM 0 HD2 PRO A 27 71.567 -2.431 -18.867 1.00 1.00 H new ATOM 0 HD3 PRO A 27 71.004 -3.921 -18.135 1.00 1.00 H new ATOM 399 N PRO A 28 73.515 -0.777 -14.218 1.00 1.00 N ATOM 400 CA PRO A 28 73.825 0.554 -13.625 1.00 1.00 C ATOM 401 C PRO A 28 74.602 1.454 -14.592 1.00 1.00 C ATOM 402 O PRO A 28 75.289 0.983 -15.477 1.00 1.00 O ATOM 403 CB PRO A 28 74.678 0.209 -12.405 1.00 1.00 C ATOM 404 CG PRO A 28 74.217 -1.149 -11.984 1.00 1.00 C ATOM 405 CD PRO A 28 73.719 -1.864 -13.246 1.00 1.00 C ATOM 0 HA PRO A 28 72.922 1.114 -13.382 1.00 1.00 H new ATOM 0 HB2 PRO A 28 75.739 0.206 -12.653 1.00 1.00 H new ATOM 0 HB3 PRO A 28 74.539 0.938 -11.607 1.00 1.00 H new ATOM 0 HG2 PRO A 28 75.031 -1.706 -11.521 1.00 1.00 H new ATOM 0 HG3 PRO A 28 73.421 -1.074 -11.244 1.00 1.00 H new ATOM 0 HD2 PRO A 28 74.448 -2.590 -13.607 1.00 1.00 H new ATOM 0 HD3 PRO A 28 72.794 -2.408 -13.057 1.00 1.00 H new ATOM 413 N LYS A 29 74.499 2.744 -14.428 1.00 1.00 N ATOM 414 CA LYS A 29 75.231 3.673 -15.335 1.00 1.00 C ATOM 415 C LYS A 29 75.075 5.109 -14.826 1.00 1.00 C ATOM 416 O LYS A 29 75.198 5.373 -13.647 1.00 1.00 O ATOM 417 CB LYS A 29 74.662 3.559 -16.754 1.00 1.00 C ATOM 418 CG LYS A 29 73.153 3.811 -16.724 1.00 1.00 C ATOM 419 CD LYS A 29 72.522 3.288 -18.016 1.00 1.00 C ATOM 420 CE LYS A 29 71.012 3.533 -17.981 1.00 1.00 C ATOM 421 NZ LYS A 29 70.359 2.758 -19.074 1.00 1.00 N ATOM 0 H LYS A 29 73.939 3.195 -13.705 1.00 1.00 H new ATOM 0 HA LYS A 29 76.289 3.410 -15.352 1.00 1.00 H new ATOM 0 HB2 LYS A 29 75.148 4.280 -17.411 1.00 1.00 H new ATOM 0 HB3 LYS A 29 74.867 2.569 -17.161 1.00 1.00 H new ATOM 0 HG2 LYS A 29 72.708 3.314 -15.862 1.00 1.00 H new ATOM 0 HG3 LYS A 29 72.954 4.877 -16.615 1.00 1.00 H new ATOM 0 HD2 LYS A 29 72.963 3.789 -18.878 1.00 1.00 H new ATOM 0 HD3 LYS A 29 72.726 2.223 -18.128 1.00 1.00 H new ATOM 0 HE2 LYS A 29 70.606 3.233 -17.015 1.00 1.00 H new ATOM 0 HE3 LYS A 29 70.802 4.596 -18.099 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 69.333 2.924 -19.052 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 70.739 3.065 -19.992 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 70.549 1.744 -18.942 1.00 1.00 H new ATOM 435 N CYS A 30 74.808 6.038 -15.704 1.00 1.00 N ATOM 436 CA CYS A 30 74.647 7.455 -15.270 1.00 1.00 C ATOM 437 C CYS A 30 75.915 7.916 -14.549 1.00 1.00 C ATOM 438 O CYS A 30 75.998 9.029 -14.070 1.00 1.00 O ATOM 439 CB CYS A 30 73.448 7.568 -14.323 1.00 1.00 C ATOM 440 SG CYS A 30 73.081 9.314 -14.019 1.00 1.00 S ATOM 0 H CYS A 30 74.694 5.876 -16.705 1.00 1.00 H new ATOM 0 HA CYS A 30 74.478 8.085 -16.144 1.00 1.00 H new ATOM 0 HB2 CYS A 30 72.580 7.073 -14.758 1.00 1.00 H new ATOM 0 HB3 CYS A 30 73.665 7.062 -13.382 1.00 1.00 H new ATOM 445 N LYS A 31 76.907 7.072 -14.473 1.00 1.00 N ATOM 446 CA LYS A 31 78.169 7.466 -13.786 1.00 1.00 C ATOM 447 C LYS A 31 78.801 8.649 -14.521 1.00 1.00 C ATOM 448 O LYS A 31 78.345 9.054 -15.572 1.00 1.00 O ATOM 449 CB LYS A 31 79.141 6.285 -13.788 1.00 1.00 C ATOM 450 CG LYS A 31 78.647 5.216 -12.812 1.00 1.00 C ATOM 451 CD LYS A 31 79.353 3.890 -13.106 1.00 1.00 C ATOM 452 CE LYS A 31 78.782 2.796 -12.201 1.00 1.00 C ATOM 453 NZ LYS A 31 79.212 1.461 -12.705 1.00 1.00 N ATOM 0 H LYS A 31 76.898 6.127 -14.857 1.00 1.00 H new ATOM 0 HA LYS A 31 77.949 7.753 -12.758 1.00 1.00 H new ATOM 0 HB2 LYS A 31 79.220 5.867 -14.792 1.00 1.00 H new ATOM 0 HB3 LYS A 31 80.138 6.620 -13.502 1.00 1.00 H new ATOM 0 HG2 LYS A 31 78.845 5.526 -11.786 1.00 1.00 H new ATOM 0 HG3 LYS A 31 77.568 5.094 -12.905 1.00 1.00 H new ATOM 0 HD2 LYS A 31 79.218 3.618 -14.153 1.00 1.00 H new ATOM 0 HD3 LYS A 31 80.425 3.992 -12.939 1.00 1.00 H new ATOM 0 HE2 LYS A 31 79.128 2.939 -11.177 1.00 1.00 H new ATOM 0 HE3 LYS A 31 77.694 2.856 -12.182 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 78.824 0.717 -12.091 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 78.861 1.327 -13.675 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 80.251 1.407 -12.702 1.00 1.00 H new ATOM 467 N GLN A 32 79.848 9.209 -13.977 1.00 1.00 N ATOM 468 CA GLN A 32 80.507 10.367 -14.645 1.00 1.00 C ATOM 469 C GLN A 32 81.999 10.368 -14.307 1.00 1.00 C ATOM 470 O GLN A 32 82.741 11.228 -14.738 1.00 1.00 O ATOM 471 CB GLN A 32 79.872 11.668 -14.151 1.00 1.00 C ATOM 472 CG GLN A 32 79.781 11.645 -12.624 1.00 1.00 C ATOM 473 CD GLN A 32 79.512 13.059 -12.106 1.00 1.00 C ATOM 474 OE1 GLN A 32 79.087 13.920 -12.851 1.00 1.00 O ATOM 475 NE2 GLN A 32 79.743 13.337 -10.852 1.00 1.00 N ATOM 0 H GLN A 32 80.275 8.914 -13.099 1.00 1.00 H new ATOM 0 HA GLN A 32 80.379 10.286 -15.724 1.00 1.00 H new ATOM 0 HB2 GLN A 32 80.466 12.522 -14.477 1.00 1.00 H new ATOM 0 HB3 GLN A 32 78.878 11.787 -14.583 1.00 1.00 H new ATOM 0 HG2 GLN A 32 78.984 10.973 -12.307 1.00 1.00 H new ATOM 0 HG3 GLN A 32 80.709 11.262 -12.200 1.00 1.00 H new ATOM 0 HE21 GLN A 32 80.100 12.614 -10.227 1.00 1.00 H new ATOM 0 HE22 GLN A 32 79.567 14.277 -10.497 1.00 1.00 H new ATOM 484 N ARG A 33 82.444 9.410 -13.541 1.00 1.00 N ATOM 485 CA ARG A 33 83.886 9.354 -13.176 1.00 1.00 C ATOM 486 C ARG A 33 84.301 10.675 -12.526 1.00 1.00 C ATOM 487 O ARG A 33 84.442 11.686 -13.184 1.00 1.00 O ATOM 488 CB ARG A 33 84.721 9.121 -14.436 1.00 1.00 C ATOM 489 CG ARG A 33 86.157 8.768 -14.041 1.00 1.00 C ATOM 490 CD ARG A 33 86.292 7.250 -13.909 1.00 1.00 C ATOM 491 NE ARG A 33 87.647 6.916 -13.387 1.00 1.00 N ATOM 492 CZ ARG A 33 88.697 7.091 -14.141 1.00 1.00 C ATOM 493 NH1 ARG A 33 88.561 7.559 -15.352 1.00 1.00 N ATOM 494 NH2 ARG A 33 89.884 6.798 -13.685 1.00 1.00 N ATOM 0 H ARG A 33 81.869 8.663 -13.152 1.00 1.00 H new ATOM 0 HA ARG A 33 84.051 8.537 -12.473 1.00 1.00 H new ATOM 0 HB2 ARG A 33 84.287 8.315 -15.028 1.00 1.00 H new ATOM 0 HB3 ARG A 33 84.714 10.015 -15.060 1.00 1.00 H new ATOM 0 HG2 ARG A 33 86.854 9.142 -14.791 1.00 1.00 H new ATOM 0 HG3 ARG A 33 86.415 9.250 -13.098 1.00 1.00 H new ATOM 0 HD2 ARG A 33 85.526 6.863 -13.237 1.00 1.00 H new ATOM 0 HD3 ARG A 33 86.136 6.775 -14.877 1.00 1.00 H new ATOM 0 HE ARG A 33 87.754 6.551 -12.441 1.00 1.00 H new ATOM 0 HH11 ARG A 33 87.633 7.788 -15.709 1.00 1.00 H new ATOM 0 HH12 ARG A 33 89.382 7.696 -15.941 1.00 1.00 H new ATOM 0 HH21 ARG A 33 89.991 6.432 -12.739 1.00 1.00 H new ATOM 0 HH22 ARG A 33 90.705 6.935 -14.275 1.00 1.00 H new ATOM 508 N GLN A 34 84.499 10.674 -11.236 1.00 1.00 N ATOM 509 CA GLN A 34 84.906 11.929 -10.541 1.00 1.00 C ATOM 510 C GLN A 34 85.790 11.582 -9.340 1.00 1.00 C ATOM 511 O GLN A 34 86.762 10.862 -9.461 1.00 1.00 O ATOM 512 CB GLN A 34 83.656 12.674 -10.061 1.00 1.00 C ATOM 513 CG GLN A 34 84.013 14.130 -9.757 1.00 1.00 C ATOM 514 CD GLN A 34 84.099 14.919 -11.065 1.00 1.00 C ATOM 515 OE1 GLN A 34 83.154 15.576 -11.455 1.00 1.00 O ATOM 516 NE2 GLN A 34 85.200 14.882 -11.764 1.00 1.00 N ATOM 0 H GLN A 34 84.397 9.858 -10.633 1.00 1.00 H new ATOM 0 HA GLN A 34 85.464 12.564 -11.230 1.00 1.00 H new ATOM 0 HB2 GLN A 34 82.879 12.631 -10.824 1.00 1.00 H new ATOM 0 HB3 GLN A 34 83.254 12.194 -9.169 1.00 1.00 H new ATOM 0 HG2 GLN A 34 83.261 14.571 -9.103 1.00 1.00 H new ATOM 0 HG3 GLN A 34 84.964 14.179 -9.227 1.00 1.00 H new ATOM 0 HE21 GLN A 34 85.993 14.331 -11.437 1.00 1.00 H new ATOM 0 HE22 GLN A 34 85.267 15.404 -12.637 1.00 1.00 H new ATOM 525 N THR A 35 85.462 12.087 -8.182 1.00 1.00 N ATOM 526 CA THR A 35 86.284 11.785 -6.975 1.00 1.00 C ATOM 527 C THR A 35 85.408 11.894 -5.726 1.00 1.00 C ATOM 528 O THR A 35 84.961 12.963 -5.360 1.00 1.00 O ATOM 529 CB THR A 35 87.437 12.788 -6.879 1.00 1.00 C ATOM 530 OG1 THR A 35 86.918 14.109 -6.936 1.00 1.00 O ATOM 531 CG2 THR A 35 88.407 12.567 -8.041 1.00 1.00 C ATOM 0 H THR A 35 84.660 12.696 -8.019 1.00 1.00 H new ATOM 0 HA THR A 35 86.687 10.775 -7.051 1.00 1.00 H new ATOM 0 HB THR A 35 87.966 12.645 -5.937 1.00 1.00 H new ATOM 0 HG1 THR A 35 86.076 14.152 -6.436 1.00 1.00 H new ATOM 0 HG21 THR A 35 89.227 13.282 -7.971 1.00 1.00 H new ATOM 0 HG22 THR A 35 88.804 11.553 -7.995 1.00 1.00 H new ATOM 0 HG23 THR A 35 87.882 12.709 -8.985 1.00 1.00 H new ATOM 539 N ARG A 36 85.157 10.795 -5.067 1.00 1.00 N ATOM 540 CA ARG A 36 84.310 10.838 -3.843 1.00 1.00 C ATOM 541 C ARG A 36 84.796 11.968 -2.930 1.00 1.00 C ATOM 542 O ARG A 36 85.910 11.951 -2.445 1.00 1.00 O ATOM 543 CB ARG A 36 84.411 9.493 -3.107 1.00 1.00 C ATOM 544 CG ARG A 36 83.094 9.201 -2.385 1.00 1.00 C ATOM 545 CD ARG A 36 81.967 9.069 -3.411 1.00 1.00 C ATOM 546 NE ARG A 36 82.548 8.789 -4.754 1.00 1.00 N ATOM 547 CZ ARG A 36 82.769 7.557 -5.125 1.00 1.00 C ATOM 548 NH1 ARG A 36 82.480 6.571 -4.320 1.00 1.00 N ATOM 549 NH2 ARG A 36 83.278 7.311 -6.301 1.00 1.00 N ATOM 0 H ARG A 36 85.502 9.870 -5.324 1.00 1.00 H new ATOM 0 HA ARG A 36 83.271 11.020 -4.119 1.00 1.00 H new ATOM 0 HB2 ARG A 36 84.633 8.695 -3.816 1.00 1.00 H new ATOM 0 HB3 ARG A 36 85.232 9.520 -2.390 1.00 1.00 H new ATOM 0 HG2 ARG A 36 83.181 8.282 -1.805 1.00 1.00 H new ATOM 0 HG3 ARG A 36 82.867 10.002 -1.681 1.00 1.00 H new ATOM 0 HD2 ARG A 36 81.289 8.266 -3.121 1.00 1.00 H new ATOM 0 HD3 ARG A 36 81.379 9.986 -3.441 1.00 1.00 H new ATOM 0 HE ARG A 36 82.773 9.560 -5.383 1.00 1.00 H new ATOM 0 HH11 ARG A 36 82.081 6.763 -3.401 1.00 1.00 H new ATOM 0 HH12 ARG A 36 82.653 5.608 -4.610 1.00 1.00 H new ATOM 0 HH21 ARG A 36 83.503 8.081 -6.930 1.00 1.00 H new ATOM 0 HH22 ARG A 36 83.451 6.348 -6.591 1.00 1.00 H new ATOM 563 N GLN A 37 83.973 12.954 -2.700 1.00 1.00 N ATOM 564 CA GLN A 37 84.393 14.087 -1.826 1.00 1.00 C ATOM 565 C GLN A 37 84.305 13.667 -0.356 1.00 1.00 C ATOM 566 O GLN A 37 85.278 13.716 0.371 1.00 1.00 O ATOM 567 CB GLN A 37 83.474 15.288 -2.073 1.00 1.00 C ATOM 568 CG GLN A 37 84.163 16.567 -1.592 1.00 1.00 C ATOM 569 CD GLN A 37 85.208 17.002 -2.621 1.00 1.00 C ATOM 570 OE1 GLN A 37 84.869 17.383 -3.724 1.00 1.00 O ATOM 571 NE2 GLN A 37 86.473 16.962 -2.305 1.00 1.00 N ATOM 0 H GLN A 37 83.029 13.025 -3.079 1.00 1.00 H new ATOM 0 HA GLN A 37 85.422 14.361 -2.059 1.00 1.00 H new ATOM 0 HB2 GLN A 37 83.238 15.367 -3.134 1.00 1.00 H new ATOM 0 HB3 GLN A 37 82.530 15.151 -1.546 1.00 1.00 H new ATOM 0 HG2 GLN A 37 83.427 17.358 -1.449 1.00 1.00 H new ATOM 0 HG3 GLN A 37 84.638 16.396 -0.626 1.00 1.00 H new ATOM 0 HE21 GLN A 37 86.758 16.642 -1.379 1.00 1.00 H new ATOM 0 HE22 GLN A 37 87.178 17.251 -2.984 1.00 1.00 H new ATOM 580 N CYS A 38 83.149 13.259 0.090 1.00 1.00 N ATOM 581 CA CYS A 38 83.005 12.842 1.514 1.00 1.00 C ATOM 582 C CYS A 38 83.895 11.628 1.783 1.00 1.00 C ATOM 583 O CYS A 38 83.687 10.561 1.239 1.00 1.00 O ATOM 584 CB CYS A 38 81.545 12.478 1.795 1.00 1.00 C ATOM 585 SG CYS A 38 81.434 11.603 3.376 1.00 1.00 S ATOM 0 H CYS A 38 82.298 13.196 -0.469 1.00 1.00 H new ATOM 0 HA CYS A 38 83.306 13.663 2.165 1.00 1.00 H new ATOM 0 HB2 CYS A 38 80.933 13.380 1.823 1.00 1.00 H new ATOM 0 HB3 CYS A 38 81.154 11.852 0.993 1.00 1.00 H new ATOM 590 N LYS A 39 84.886 11.781 2.619 1.00 1.00 N ATOM 591 CA LYS A 39 85.789 10.636 2.924 1.00 1.00 C ATOM 592 C LYS A 39 86.733 11.023 4.065 1.00 1.00 C ATOM 593 O LYS A 39 87.387 10.184 4.653 1.00 1.00 O ATOM 594 CB LYS A 39 86.611 10.290 1.679 1.00 1.00 C ATOM 595 CG LYS A 39 87.548 11.453 1.346 1.00 1.00 C ATOM 596 CD LYS A 39 88.157 11.237 -0.041 1.00 1.00 C ATOM 597 CE LYS A 39 88.954 9.931 -0.052 1.00 1.00 C ATOM 598 NZ LYS A 39 88.033 8.789 -0.316 1.00 1.00 N ATOM 0 H LYS A 39 85.109 12.650 3.104 1.00 1.00 H new ATOM 0 HA LYS A 39 85.194 9.772 3.220 1.00 1.00 H new ATOM 0 HB2 LYS A 39 87.189 9.382 1.852 1.00 1.00 H new ATOM 0 HB3 LYS A 39 85.948 10.090 0.837 1.00 1.00 H new ATOM 0 HG2 LYS A 39 86.999 12.395 1.371 1.00 1.00 H new ATOM 0 HG3 LYS A 39 88.337 11.524 2.094 1.00 1.00 H new ATOM 0 HD2 LYS A 39 87.370 11.201 -0.794 1.00 1.00 H new ATOM 0 HD3 LYS A 39 88.806 12.074 -0.299 1.00 1.00 H new ATOM 0 HE2 LYS A 39 89.729 9.972 -0.818 1.00 1.00 H new ATOM 0 HE3 LYS A 39 89.458 9.792 0.904 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 87.895 8.245 0.560 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 87.116 9.152 -0.647 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 88.445 8.172 -1.045 1.00 1.00 H new ATOM 612 N SER A 40 86.811 12.287 4.380 1.00 1.00 N ATOM 613 CA SER A 40 87.715 12.727 5.480 1.00 1.00 C ATOM 614 C SER A 40 87.114 12.325 6.828 1.00 1.00 C ATOM 615 O SER A 40 87.028 13.122 7.741 1.00 1.00 O ATOM 616 CB SER A 40 87.879 14.246 5.426 1.00 1.00 C ATOM 617 OG SER A 40 86.596 14.856 5.414 1.00 1.00 O ATOM 0 H SER A 40 86.288 13.034 3.923 1.00 1.00 H new ATOM 0 HA SER A 40 88.689 12.252 5.362 1.00 1.00 H new ATOM 0 HB2 SER A 40 88.451 14.592 6.287 1.00 1.00 H new ATOM 0 HB3 SER A 40 88.439 14.532 4.535 1.00 1.00 H new ATOM 0 HG SER A 40 86.697 15.830 5.381 1.00 1.00 H new ATOM 623 N LYS A 41 86.696 11.094 6.961 1.00 1.00 N ATOM 624 CA LYS A 41 86.101 10.642 8.252 1.00 1.00 C ATOM 625 C LYS A 41 87.185 9.965 9.103 1.00 1.00 C ATOM 626 O LYS A 41 87.995 9.215 8.595 1.00 1.00 O ATOM 627 CB LYS A 41 84.979 9.640 7.967 1.00 1.00 C ATOM 628 CG LYS A 41 85.421 8.680 6.860 1.00 1.00 C ATOM 629 CD LYS A 41 84.384 7.566 6.706 1.00 1.00 C ATOM 630 CE LYS A 41 84.882 6.544 5.683 1.00 1.00 C ATOM 631 NZ LYS A 41 85.586 7.251 4.576 1.00 1.00 N ATOM 0 H LYS A 41 86.741 10.382 6.232 1.00 1.00 H new ATOM 0 HA LYS A 41 85.698 11.500 8.791 1.00 1.00 H new ATOM 0 HB2 LYS A 41 84.737 9.082 8.872 1.00 1.00 H new ATOM 0 HB3 LYS A 41 84.074 10.167 7.666 1.00 1.00 H new ATOM 0 HG2 LYS A 41 85.533 9.220 5.920 1.00 1.00 H new ATOM 0 HG3 LYS A 41 86.395 8.254 7.101 1.00 1.00 H new ATOM 0 HD2 LYS A 41 84.211 7.080 7.666 1.00 1.00 H new ATOM 0 HD3 LYS A 41 83.430 7.984 6.384 1.00 1.00 H new ATOM 0 HE2 LYS A 41 85.556 5.833 6.162 1.00 1.00 H new ATOM 0 HE3 LYS A 41 84.043 5.971 5.288 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 85.850 6.566 3.839 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 84.957 7.972 4.169 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 86.443 7.709 4.946 1.00 1.00 H new ATOM 645 N PRO A 42 87.202 10.221 10.389 1.00 1.00 N ATOM 646 CA PRO A 42 88.208 9.617 11.313 1.00 1.00 C ATOM 647 C PRO A 42 87.905 8.143 11.611 1.00 1.00 C ATOM 648 O PRO A 42 86.796 7.682 11.426 1.00 1.00 O ATOM 649 CB PRO A 42 88.075 10.459 12.585 1.00 1.00 C ATOM 650 CG PRO A 42 86.665 10.950 12.574 1.00 1.00 C ATOM 651 CD PRO A 42 86.268 11.107 11.103 1.00 1.00 C ATOM 0 HA PRO A 42 89.211 9.624 10.887 1.00 1.00 H new ATOM 0 HB2 PRO A 42 88.280 9.865 13.476 1.00 1.00 H new ATOM 0 HB3 PRO A 42 88.782 11.288 12.586 1.00 1.00 H new ATOM 0 HG2 PRO A 42 86.005 10.245 13.080 1.00 1.00 H new ATOM 0 HG3 PRO A 42 86.581 11.900 13.101 1.00 1.00 H new ATOM 0 HD2 PRO A 42 85.232 10.814 10.935 1.00 1.00 H new ATOM 0 HD3 PRO A 42 86.365 12.141 10.771 1.00 1.00 H new ATOM 659 N PRO A 43 88.885 7.412 12.076 1.00 1.00 N ATOM 660 CA PRO A 43 88.721 5.967 12.412 1.00 1.00 C ATOM 661 C PRO A 43 87.861 5.765 13.665 1.00 1.00 C ATOM 662 O PRO A 43 87.863 6.578 14.568 1.00 1.00 O ATOM 663 CB PRO A 43 90.155 5.484 12.655 1.00 1.00 C ATOM 664 CG PRO A 43 90.917 6.705 13.052 1.00 1.00 C ATOM 665 CD PRO A 43 90.255 7.883 12.336 1.00 1.00 C ATOM 0 HA PRO A 43 88.210 5.418 11.621 1.00 1.00 H new ATOM 0 HB2 PRO A 43 90.188 4.727 13.439 1.00 1.00 H new ATOM 0 HB3 PRO A 43 90.576 5.032 11.757 1.00 1.00 H new ATOM 0 HG2 PRO A 43 90.891 6.844 14.133 1.00 1.00 H new ATOM 0 HG3 PRO A 43 91.965 6.618 12.767 1.00 1.00 H new ATOM 0 HD2 PRO A 43 90.259 8.780 12.955 1.00 1.00 H new ATOM 0 HD3 PRO A 43 90.775 8.132 11.411 1.00 1.00 H new ATOM 673 N LYS A 44 87.123 4.689 13.725 1.00 1.00 N ATOM 674 CA LYS A 44 86.263 4.438 14.917 1.00 1.00 C ATOM 675 C LYS A 44 86.110 2.929 15.125 1.00 1.00 C ATOM 676 O LYS A 44 87.078 2.221 15.326 1.00 1.00 O ATOM 677 CB LYS A 44 84.886 5.071 14.693 1.00 1.00 C ATOM 678 CG LYS A 44 84.127 5.130 16.020 1.00 1.00 C ATOM 679 CD LYS A 44 82.647 5.407 15.751 1.00 1.00 C ATOM 680 CE LYS A 44 81.851 5.236 17.046 1.00 1.00 C ATOM 681 NZ LYS A 44 82.536 5.964 18.150 1.00 1.00 N ATOM 0 H LYS A 44 87.079 3.973 13.000 1.00 1.00 H new ATOM 0 HA LYS A 44 86.724 4.879 15.801 1.00 1.00 H new ATOM 0 HB2 LYS A 44 84.998 6.074 14.282 1.00 1.00 H new ATOM 0 HB3 LYS A 44 84.321 4.489 13.965 1.00 1.00 H new ATOM 0 HG2 LYS A 44 84.240 4.188 16.557 1.00 1.00 H new ATOM 0 HG3 LYS A 44 84.544 5.911 16.655 1.00 1.00 H new ATOM 0 HD2 LYS A 44 82.520 6.418 15.365 1.00 1.00 H new ATOM 0 HD3 LYS A 44 82.271 4.725 14.988 1.00 1.00 H new ATOM 0 HE2 LYS A 44 80.839 5.619 16.916 1.00 1.00 H new ATOM 0 HE3 LYS A 44 81.762 4.178 17.294 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 81.861 6.141 18.921 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 83.326 5.390 18.507 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 82.900 6.871 17.794 1.00 1.00 H new ATOM 695 N LYS A 45 84.905 2.428 15.080 1.00 1.00 N ATOM 696 CA LYS A 45 84.697 0.966 15.277 1.00 1.00 C ATOM 697 C LYS A 45 85.693 0.191 14.407 1.00 1.00 C ATOM 698 O LYS A 45 86.615 -0.425 14.904 1.00 1.00 O ATOM 699 CB LYS A 45 83.258 0.600 14.883 1.00 1.00 C ATOM 700 CG LYS A 45 82.681 -0.380 15.906 1.00 1.00 C ATOM 701 CD LYS A 45 81.257 -0.765 15.498 1.00 1.00 C ATOM 702 CE LYS A 45 81.303 -1.980 14.570 1.00 1.00 C ATOM 703 NZ LYS A 45 81.535 -3.213 15.375 1.00 1.00 N ATOM 0 H LYS A 45 84.056 2.969 14.915 1.00 1.00 H new ATOM 0 HA LYS A 45 84.858 0.706 16.323 1.00 1.00 H new ATOM 0 HB2 LYS A 45 82.643 1.499 14.838 1.00 1.00 H new ATOM 0 HB3 LYS A 45 83.244 0.154 13.889 1.00 1.00 H new ATOM 0 HG2 LYS A 45 83.307 -1.270 15.965 1.00 1.00 H new ATOM 0 HG3 LYS A 45 82.677 0.073 16.897 1.00 1.00 H new ATOM 0 HD2 LYS A 45 80.663 -0.992 16.383 1.00 1.00 H new ATOM 0 HD3 LYS A 45 80.773 0.072 14.995 1.00 1.00 H new ATOM 0 HE2 LYS A 45 80.367 -2.064 14.018 1.00 1.00 H new ATOM 0 HE3 LYS A 45 82.098 -1.859 13.834 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 81.284 -4.049 14.810 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 82.537 -3.267 15.647 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 80.945 -3.185 16.231 1.00 1.00 H new ATOM 717 N GLY A 46 85.518 0.221 13.112 1.00 1.00 N ATOM 718 CA GLY A 46 86.459 -0.509 12.212 1.00 1.00 C ATOM 719 C GLY A 46 87.493 0.473 11.659 1.00 1.00 C ATOM 720 O GLY A 46 87.220 1.646 11.495 1.00 1.00 O ATOM 0 H GLY A 46 84.764 0.719 12.639 1.00 1.00 H new ATOM 0 HA2 GLY A 46 86.957 -1.309 12.759 1.00 1.00 H new ATOM 0 HA3 GLY A 46 85.910 -0.976 11.394 1.00 1.00 H new ATOM 724 N VAL A 47 88.678 0.009 11.371 1.00 1.00 N ATOM 725 CA VAL A 47 89.720 0.923 10.831 1.00 1.00 C ATOM 726 C VAL A 47 89.201 1.581 9.550 1.00 1.00 C ATOM 727 O VAL A 47 89.023 0.937 8.535 1.00 1.00 O ATOM 728 CB VAL A 47 90.991 0.123 10.533 1.00 1.00 C ATOM 729 CG1 VAL A 47 90.677 -0.975 9.516 1.00 1.00 C ATOM 730 CG2 VAL A 47 92.058 1.058 9.959 1.00 1.00 C ATOM 0 H VAL A 47 88.968 -0.962 11.486 1.00 1.00 H new ATOM 0 HA VAL A 47 89.949 1.697 11.563 1.00 1.00 H new ATOM 0 HB VAL A 47 91.359 -0.329 11.454 1.00 1.00 H new ATOM 0 HG11 VAL A 47 91.582 -1.544 9.304 1.00 1.00 H new ATOM 0 HG12 VAL A 47 89.916 -1.641 9.923 1.00 1.00 H new ATOM 0 HG13 VAL A 47 90.309 -0.523 8.595 1.00 1.00 H new ATOM 0 HG21 VAL A 47 92.963 0.490 9.746 1.00 1.00 H new ATOM 0 HG22 VAL A 47 91.689 1.510 9.038 1.00 1.00 H new ATOM 0 HG23 VAL A 47 92.283 1.841 10.683 1.00 1.00 H new ATOM 740 N GLN A 48 88.946 2.861 9.595 1.00 1.00 N ATOM 741 CA GLN A 48 88.427 3.566 8.388 1.00 1.00 C ATOM 742 C GLN A 48 87.250 2.780 7.807 1.00 1.00 C ATOM 743 O GLN A 48 87.403 1.993 6.895 1.00 1.00 O ATOM 744 CB GLN A 48 89.535 3.684 7.336 1.00 1.00 C ATOM 745 CG GLN A 48 90.612 4.652 7.831 1.00 1.00 C ATOM 746 CD GLN A 48 90.036 6.067 7.895 1.00 1.00 C ATOM 747 OE1 GLN A 48 89.275 6.386 8.787 1.00 1.00 O ATOM 748 NE2 GLN A 48 90.369 6.937 6.981 1.00 1.00 N ATOM 0 H GLN A 48 89.075 3.450 10.418 1.00 1.00 H new ATOM 0 HA GLN A 48 88.095 4.565 8.670 1.00 1.00 H new ATOM 0 HB2 GLN A 48 89.973 2.705 7.143 1.00 1.00 H new ATOM 0 HB3 GLN A 48 89.119 4.038 6.393 1.00 1.00 H new ATOM 0 HG2 GLN A 48 90.965 4.347 8.816 1.00 1.00 H new ATOM 0 HG3 GLN A 48 91.472 4.628 7.162 1.00 1.00 H new ATOM 0 HE21 GLN A 48 91.008 6.670 6.232 1.00 1.00 H new ATOM 0 HE22 GLN A 48 89.991 7.884 7.016 1.00 1.00 H new ATOM 757 N GLY A 49 86.074 2.993 8.332 1.00 1.00 N ATOM 758 CA GLY A 49 84.880 2.266 7.817 1.00 1.00 C ATOM 759 C GLY A 49 83.618 2.871 8.433 1.00 1.00 C ATOM 760 O GLY A 49 82.514 2.505 8.087 1.00 1.00 O ATOM 0 H GLY A 49 85.889 3.641 9.098 1.00 1.00 H new ATOM 0 HA2 GLY A 49 84.838 2.336 6.730 1.00 1.00 H new ATOM 0 HA3 GLY A 49 84.949 1.207 8.066 1.00 1.00 H new ATOM 764 N CYS A 50 83.782 3.795 9.345 1.00 1.00 N ATOM 765 CA CYS A 50 82.607 4.440 9.999 1.00 1.00 C ATOM 766 C CYS A 50 81.730 3.371 10.657 1.00 1.00 C ATOM 767 O CYS A 50 81.526 2.301 10.120 1.00 1.00 O ATOM 768 CB CYS A 50 81.793 5.214 8.954 1.00 1.00 C ATOM 769 SG CYS A 50 80.529 4.130 8.245 1.00 1.00 S ATOM 0 H CYS A 50 84.689 4.132 9.667 1.00 1.00 H new ATOM 0 HA CYS A 50 82.957 5.134 10.764 1.00 1.00 H new ATOM 0 HB2 CYS A 50 81.324 6.084 9.415 1.00 1.00 H new ATOM 0 HB3 CYS A 50 82.451 5.585 8.168 1.00 1.00 H new ATOM 774 N GLY A 51 81.212 3.657 11.823 1.00 1.00 N ATOM 775 CA GLY A 51 80.350 2.666 12.532 1.00 1.00 C ATOM 776 C GLY A 51 78.888 3.112 12.461 1.00 1.00 C ATOM 777 O GLY A 51 78.335 3.294 11.395 1.00 1.00 O ATOM 0 H GLY A 51 81.350 4.539 12.317 1.00 1.00 H new ATOM 0 HA2 GLY A 51 80.462 1.681 12.079 1.00 1.00 H new ATOM 0 HA3 GLY A 51 80.663 2.576 13.572 1.00 1.00 H new ATOM 781 N ASP A 52 78.258 3.287 13.591 1.00 1.00 N ATOM 782 CA ASP A 52 76.831 3.717 13.590 1.00 1.00 C ATOM 783 C ASP A 52 76.722 5.139 13.034 1.00 1.00 C ATOM 784 O ASP A 52 75.669 5.744 13.056 1.00 1.00 O ATOM 785 CB ASP A 52 76.288 3.686 15.021 1.00 1.00 C ATOM 786 CG ASP A 52 76.027 2.237 15.437 1.00 1.00 C ATOM 787 OD1 ASP A 52 76.845 1.392 15.114 1.00 1.00 O ATOM 788 OD2 ASP A 52 75.012 1.998 16.072 1.00 1.00 O ATOM 0 H ASP A 52 78.670 3.151 14.514 1.00 1.00 H new ATOM 0 HA ASP A 52 76.250 3.039 12.965 1.00 1.00 H new ATOM 0 HB2 ASP A 52 77.002 4.148 15.702 1.00 1.00 H new ATOM 0 HB3 ASP A 52 75.367 4.265 15.084 1.00 1.00 H new ATOM 793 N ASP A 53 77.800 5.678 12.534 1.00 1.00 N ATOM 794 CA ASP A 53 77.751 7.059 11.976 1.00 1.00 C ATOM 795 C ASP A 53 76.541 7.188 11.048 1.00 1.00 C ATOM 796 O ASP A 53 76.598 6.839 9.885 1.00 1.00 O ATOM 797 CB ASP A 53 79.032 7.335 11.187 1.00 1.00 C ATOM 798 CG ASP A 53 80.208 7.475 12.155 1.00 1.00 C ATOM 799 OD1 ASP A 53 79.963 7.749 13.318 1.00 1.00 O ATOM 800 OD2 ASP A 53 81.334 7.306 11.716 1.00 1.00 O ATOM 0 H ASP A 53 78.711 5.223 12.488 1.00 1.00 H new ATOM 0 HA ASP A 53 77.664 7.779 12.790 1.00 1.00 H new ATOM 0 HB2 ASP A 53 79.221 6.524 10.484 1.00 1.00 H new ATOM 0 HB3 ASP A 53 78.921 8.246 10.599 1.00 1.00 H new ATOM 805 N ILE A 54 75.443 7.683 11.552 1.00 1.00 N ATOM 806 CA ILE A 54 74.229 7.829 10.699 1.00 1.00 C ATOM 807 C ILE A 54 74.617 8.470 9.358 1.00 1.00 C ATOM 808 O ILE A 54 75.375 9.418 9.319 1.00 1.00 O ATOM 809 CB ILE A 54 73.195 8.710 11.416 1.00 1.00 C ATOM 810 CG1 ILE A 54 73.897 9.927 12.022 1.00 1.00 C ATOM 811 CG2 ILE A 54 72.521 7.905 12.529 1.00 1.00 C ATOM 812 CD1 ILE A 54 74.074 11.002 10.948 1.00 1.00 C ATOM 0 H ILE A 54 75.334 7.993 12.518 1.00 1.00 H new ATOM 0 HA ILE A 54 73.795 6.846 10.516 1.00 1.00 H new ATOM 0 HB ILE A 54 72.442 9.041 10.701 1.00 1.00 H new ATOM 0 HG12 ILE A 54 73.312 10.321 12.853 1.00 1.00 H new ATOM 0 HG13 ILE A 54 74.868 9.637 12.425 1.00 1.00 H new ATOM 0 HG21 ILE A 54 71.787 8.531 13.037 1.00 1.00 H new ATOM 0 HG22 ILE A 54 72.022 7.037 12.099 1.00 1.00 H new ATOM 0 HG23 ILE A 54 73.273 7.573 13.245 1.00 1.00 H new ATOM 0 HD11 ILE A 54 74.574 11.869 11.380 1.00 1.00 H new ATOM 0 HD12 ILE A 54 74.677 10.605 10.131 1.00 1.00 H new ATOM 0 HD13 ILE A 54 73.097 11.299 10.566 1.00 1.00 H new ATOM 824 N PRO A 55 74.105 7.959 8.262 1.00 1.00 N ATOM 825 CA PRO A 55 74.410 8.502 6.906 1.00 1.00 C ATOM 826 C PRO A 55 73.632 9.788 6.607 1.00 1.00 C ATOM 827 O PRO A 55 72.425 9.775 6.465 1.00 1.00 O ATOM 828 CB PRO A 55 73.967 7.378 5.968 1.00 1.00 C ATOM 829 CG PRO A 55 72.865 6.685 6.700 1.00 1.00 C ATOM 830 CD PRO A 55 73.182 6.814 8.193 1.00 1.00 C ATOM 0 HA PRO A 55 75.460 8.774 6.801 1.00 1.00 H new ATOM 0 HB2 PRO A 55 73.621 7.773 5.013 1.00 1.00 H new ATOM 0 HB3 PRO A 55 74.789 6.696 5.752 1.00 1.00 H new ATOM 0 HG2 PRO A 55 71.901 7.138 6.468 1.00 1.00 H new ATOM 0 HG3 PRO A 55 72.804 5.637 6.406 1.00 1.00 H new ATOM 0 HD2 PRO A 55 72.280 6.992 8.779 1.00 1.00 H new ATOM 0 HD3 PRO A 55 73.642 5.906 8.584 1.00 1.00 H new ATOM 838 N GLY A 56 74.314 10.898 6.509 1.00 1.00 N ATOM 839 CA GLY A 56 73.617 12.185 6.217 1.00 1.00 C ATOM 840 C GLY A 56 72.344 12.290 7.060 1.00 1.00 C ATOM 841 O GLY A 56 71.282 12.602 6.559 1.00 1.00 O ATOM 0 H GLY A 56 75.326 10.969 6.619 1.00 1.00 H new ATOM 0 HA2 GLY A 56 74.278 13.024 6.434 1.00 1.00 H new ATOM 0 HA3 GLY A 56 73.368 12.242 5.157 1.00 1.00 H new ATOM 845 N MET A 57 72.440 12.033 8.335 1.00 1.00 N ATOM 846 CA MET A 57 71.234 12.119 9.206 1.00 1.00 C ATOM 847 C MET A 57 70.153 11.179 8.669 1.00 1.00 C ATOM 848 O MET A 57 69.303 11.573 7.896 1.00 1.00 O ATOM 849 CB MET A 57 70.707 13.558 9.210 1.00 1.00 C ATOM 850 CG MET A 57 71.883 14.534 9.283 1.00 1.00 C ATOM 851 SD MET A 57 71.301 16.136 9.890 1.00 1.00 S ATOM 852 CE MET A 57 72.904 16.764 10.447 1.00 1.00 C ATOM 0 H MET A 57 73.302 11.767 8.812 1.00 1.00 H new ATOM 0 HA MET A 57 71.497 11.828 10.223 1.00 1.00 H new ATOM 0 HB2 MET A 57 70.122 13.744 8.309 1.00 1.00 H new ATOM 0 HB3 MET A 57 70.042 13.710 10.060 1.00 1.00 H new ATOM 0 HG2 MET A 57 72.655 14.141 9.945 1.00 1.00 H new ATOM 0 HG3 MET A 57 72.336 14.649 8.298 1.00 1.00 H new ATOM 0 HE1 MET A 57 72.778 17.762 10.866 1.00 1.00 H new ATOM 0 HE2 MET A 57 73.311 16.099 11.209 1.00 1.00 H new ATOM 0 HE3 MET A 57 73.591 16.810 9.602 1.00 1.00 H new ATOM 862 N GLU A 58 70.178 9.938 9.074 1.00 1.00 N ATOM 863 CA GLU A 58 69.152 8.972 8.588 1.00 1.00 C ATOM 864 C GLU A 58 69.139 8.969 7.057 1.00 1.00 C ATOM 865 O GLU A 58 68.635 9.879 6.429 1.00 1.00 O ATOM 866 CB GLU A 58 67.773 9.383 9.111 1.00 1.00 C ATOM 867 CG GLU A 58 67.825 9.526 10.633 1.00 1.00 C ATOM 868 CD GLU A 58 66.524 10.158 11.132 1.00 1.00 C ATOM 869 OE1 GLU A 58 65.508 9.962 10.487 1.00 1.00 O ATOM 870 OE2 GLU A 58 66.567 10.827 12.152 1.00 1.00 O ATOM 0 H GLU A 58 70.865 9.551 9.721 1.00 1.00 H new ATOM 0 HA GLU A 58 69.393 7.973 8.951 1.00 1.00 H new ATOM 0 HB2 GLU A 58 67.466 10.325 8.657 1.00 1.00 H new ATOM 0 HB3 GLU A 58 67.029 8.637 8.831 1.00 1.00 H new ATOM 0 HG2 GLU A 58 67.968 8.550 11.096 1.00 1.00 H new ATOM 0 HG3 GLU A 58 68.676 10.143 10.922 1.00 1.00 H new ATOM 877 N GLY A 59 69.692 7.954 6.450 1.00 1.00 N ATOM 878 CA GLY A 59 69.713 7.898 4.960 1.00 1.00 C ATOM 879 C GLY A 59 69.856 6.446 4.500 1.00 1.00 C ATOM 880 O GLY A 59 70.899 6.032 4.034 1.00 1.00 O ATOM 0 H GLY A 59 70.130 7.162 6.921 1.00 1.00 H new ATOM 0 HA2 GLY A 59 68.796 8.328 4.557 1.00 1.00 H new ATOM 0 HA3 GLY A 59 70.541 8.494 4.576 1.00 1.00 H new ATOM 884 N CYS A 60 68.813 5.671 4.619 1.00 1.00 N ATOM 885 CA CYS A 60 68.887 4.248 4.181 1.00 1.00 C ATOM 886 C CYS A 60 69.873 3.487 5.071 1.00 1.00 C ATOM 887 O CYS A 60 70.487 2.526 4.650 1.00 1.00 O ATOM 888 CB CYS A 60 69.361 4.188 2.726 1.00 1.00 C ATOM 889 SG CYS A 60 68.820 5.679 1.855 1.00 1.00 S ATOM 0 H CYS A 60 67.913 5.961 5.001 1.00 1.00 H new ATOM 0 HA CYS A 60 67.901 3.792 4.263 1.00 1.00 H new ATOM 0 HB2 CYS A 60 70.447 4.106 2.689 1.00 1.00 H new ATOM 0 HB3 CYS A 60 68.958 3.301 2.237 1.00 1.00 H new ATOM 894 N GLY A 61 70.034 3.904 6.297 1.00 1.00 N ATOM 895 CA GLY A 61 70.984 3.196 7.200 1.00 1.00 C ATOM 896 C GLY A 61 70.713 3.589 8.649 1.00 1.00 C ATOM 897 O GLY A 61 70.530 2.750 9.508 1.00 1.00 O ATOM 0 H GLY A 61 69.551 4.701 6.711 1.00 1.00 H new ATOM 0 HA2 GLY A 61 70.878 2.118 7.081 1.00 1.00 H new ATOM 0 HA3 GLY A 61 72.010 3.447 6.932 1.00 1.00 H new ATOM 901 N THR A 62 70.693 4.860 8.926 1.00 1.00 N ATOM 902 CA THR A 62 70.443 5.317 10.314 1.00 1.00 C ATOM 903 C THR A 62 71.503 4.725 11.240 1.00 1.00 C ATOM 904 O THR A 62 72.686 4.819 10.988 1.00 1.00 O ATOM 905 CB THR A 62 69.048 4.866 10.761 1.00 1.00 C ATOM 906 OG1 THR A 62 69.103 3.510 11.182 1.00 1.00 O ATOM 907 CG2 THR A 62 68.067 5.001 9.595 1.00 1.00 C ATOM 0 H THR A 62 70.840 5.605 8.245 1.00 1.00 H new ATOM 0 HA THR A 62 70.495 6.405 10.356 1.00 1.00 H new ATOM 0 HB THR A 62 68.712 5.491 11.589 1.00 1.00 H new ATOM 0 HG1 THR A 62 69.443 2.954 10.450 1.00 1.00 H new ATOM 0 HG21 THR A 62 67.076 4.680 9.915 1.00 1.00 H new ATOM 0 HG22 THR A 62 68.025 6.042 9.273 1.00 1.00 H new ATOM 0 HG23 THR A 62 68.400 4.378 8.765 1.00 1.00 H new ATOM 915 N ASP A 63 71.086 4.126 12.310 1.00 1.00 N ATOM 916 CA ASP A 63 72.060 3.528 13.267 1.00 1.00 C ATOM 917 C ASP A 63 72.687 2.269 12.660 1.00 1.00 C ATOM 918 O ASP A 63 73.890 2.098 12.659 1.00 1.00 O ATOM 919 CB ASP A 63 71.337 3.161 14.564 1.00 1.00 C ATOM 920 CG ASP A 63 70.277 2.097 14.275 1.00 1.00 C ATOM 921 OD1 ASP A 63 69.565 2.249 13.296 1.00 1.00 O ATOM 922 OD2 ASP A 63 70.194 1.148 15.038 1.00 1.00 O ATOM 0 H ASP A 63 70.105 4.021 12.570 1.00 1.00 H new ATOM 0 HA ASP A 63 72.847 4.253 13.476 1.00 1.00 H new ATOM 0 HB2 ASP A 63 72.051 2.788 15.298 1.00 1.00 H new ATOM 0 HB3 ASP A 63 70.870 4.046 14.996 1.00 1.00 H new ATOM 927 N ILE A 64 71.874 1.379 12.162 1.00 1.00 N ATOM 928 CA ILE A 64 72.404 0.116 11.571 1.00 1.00 C ATOM 929 C ILE A 64 73.297 0.409 10.368 1.00 1.00 C ATOM 930 O ILE A 64 73.854 -0.493 9.778 1.00 1.00 O ATOM 931 CB ILE A 64 71.237 -0.763 11.133 1.00 1.00 C ATOM 932 CG1 ILE A 64 70.356 -1.079 12.343 1.00 1.00 C ATOM 933 CG2 ILE A 64 71.774 -2.067 10.540 1.00 1.00 C ATOM 934 CD1 ILE A 64 68.966 -1.505 11.866 1.00 1.00 C ATOM 0 H ILE A 64 70.859 1.472 12.139 1.00 1.00 H new ATOM 0 HA ILE A 64 72.999 -0.398 12.326 1.00 1.00 H new ATOM 0 HB ILE A 64 70.649 -0.237 10.381 1.00 1.00 H new ATOM 0 HG12 ILE A 64 70.807 -1.874 12.937 1.00 1.00 H new ATOM 0 HG13 ILE A 64 70.278 -0.204 12.988 1.00 1.00 H new ATOM 0 HG21 ILE A 64 70.940 -2.695 10.227 1.00 1.00 H new ATOM 0 HG22 ILE A 64 72.403 -1.843 9.678 1.00 1.00 H new ATOM 0 HG23 ILE A 64 72.362 -2.593 11.292 1.00 1.00 H new ATOM 0 HD11 ILE A 64 68.339 -1.730 12.728 1.00 1.00 H new ATOM 0 HD12 ILE A 64 68.515 -0.697 11.290 1.00 1.00 H new ATOM 0 HD13 ILE A 64 69.053 -2.392 11.239 1.00 1.00 H new ATOM 946 N THR A 65 73.444 1.653 10.000 1.00 1.00 N ATOM 947 CA THR A 65 74.308 2.004 8.828 1.00 1.00 C ATOM 948 C THR A 65 75.152 0.806 8.393 1.00 1.00 C ATOM 949 O THR A 65 75.045 0.330 7.281 1.00 1.00 O ATOM 950 CB THR A 65 75.257 3.134 9.216 1.00 1.00 C ATOM 951 OG1 THR A 65 74.552 4.099 9.983 1.00 1.00 O ATOM 952 CG2 THR A 65 75.816 3.791 7.953 1.00 1.00 C ATOM 0 H THR A 65 73.002 2.448 10.461 1.00 1.00 H new ATOM 0 HA THR A 65 73.657 2.306 8.008 1.00 1.00 H new ATOM 0 HB THR A 65 76.080 2.731 9.806 1.00 1.00 H new ATOM 0 HG1 THR A 65 73.605 4.088 9.732 1.00 1.00 H new ATOM 0 HG21 THR A 65 76.494 4.598 8.232 1.00 1.00 H new ATOM 0 HG22 THR A 65 76.357 3.049 7.366 1.00 1.00 H new ATOM 0 HG23 THR A 65 74.996 4.195 7.359 1.00 1.00 H new ATOM 960 N VAL A 66 75.999 0.326 9.270 1.00 1.00 N ATOM 961 CA VAL A 66 76.868 -0.838 8.932 1.00 1.00 C ATOM 962 C VAL A 66 76.146 -1.751 7.940 1.00 1.00 C ATOM 963 O VAL A 66 76.458 -1.771 6.766 1.00 1.00 O ATOM 964 CB VAL A 66 77.185 -1.620 10.208 1.00 1.00 C ATOM 965 CG1 VAL A 66 78.355 -2.570 9.948 1.00 1.00 C ATOM 966 CG2 VAL A 66 77.562 -0.642 11.323 1.00 1.00 C ATOM 0 H VAL A 66 76.125 0.695 10.212 1.00 1.00 H new ATOM 0 HA VAL A 66 77.794 -0.480 8.482 1.00 1.00 H new ATOM 0 HB VAL A 66 76.310 -2.196 10.508 1.00 1.00 H new ATOM 0 HG11 VAL A 66 78.580 -3.127 10.857 1.00 1.00 H new ATOM 0 HG12 VAL A 66 78.089 -3.266 9.153 1.00 1.00 H new ATOM 0 HG13 VAL A 66 79.231 -1.995 9.648 1.00 1.00 H new ATOM 0 HG21 VAL A 66 77.788 -1.198 12.233 1.00 1.00 H new ATOM 0 HG22 VAL A 66 78.438 -0.067 11.022 1.00 1.00 H new ATOM 0 HG23 VAL A 66 76.729 0.036 11.509 1.00 1.00 H new ATOM 976 N ILE A 67 75.175 -2.497 8.396 1.00 1.00 N ATOM 977 CA ILE A 67 74.429 -3.394 7.459 1.00 1.00 C ATOM 978 C ILE A 67 72.923 -3.312 7.725 1.00 1.00 C ATOM 979 O ILE A 67 72.369 -4.086 8.481 1.00 1.00 O ATOM 980 CB ILE A 67 74.895 -4.846 7.635 1.00 1.00 C ATOM 981 CG1 ILE A 67 76.333 -4.983 7.130 1.00 1.00 C ATOM 982 CG2 ILE A 67 73.984 -5.776 6.833 1.00 1.00 C ATOM 983 CD1 ILE A 67 76.323 -5.244 5.623 1.00 1.00 C ATOM 0 H ILE A 67 74.866 -2.526 9.368 1.00 1.00 H new ATOM 0 HA ILE A 67 74.631 -3.067 6.439 1.00 1.00 H new ATOM 0 HB ILE A 67 74.851 -5.116 8.690 1.00 1.00 H new ATOM 0 HG12 ILE A 67 76.894 -4.075 7.349 1.00 1.00 H new ATOM 0 HG13 ILE A 67 76.835 -5.800 7.648 1.00 1.00 H new ATOM 0 HG21 ILE A 67 74.315 -6.807 6.958 1.00 1.00 H new ATOM 0 HG22 ILE A 67 72.959 -5.678 7.190 1.00 1.00 H new ATOM 0 HG23 ILE A 67 74.027 -5.507 5.778 1.00 1.00 H new ATOM 0 HD11 ILE A 67 77.347 -5.341 5.264 1.00 1.00 H new ATOM 0 HD12 ILE A 67 75.777 -6.165 5.417 1.00 1.00 H new ATOM 0 HD13 ILE A 67 75.837 -4.412 5.113 1.00 1.00 H new ATOM 995 N CYS A 68 72.257 -2.396 7.085 1.00 1.00 N ATOM 996 CA CYS A 68 70.783 -2.270 7.261 1.00 1.00 C ATOM 997 C CYS A 68 70.101 -3.483 6.621 1.00 1.00 C ATOM 998 O CYS A 68 70.582 -4.029 5.648 1.00 1.00 O ATOM 999 CB CYS A 68 70.296 -0.987 6.582 1.00 1.00 C ATOM 1000 SG CYS A 68 70.875 -0.953 4.867 1.00 1.00 S ATOM 0 H CYS A 68 72.673 -1.722 6.442 1.00 1.00 H new ATOM 0 HA CYS A 68 70.538 -2.228 8.322 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.207 -0.939 6.610 1.00 1.00 H new ATOM 0 HB3 CYS A 68 70.668 -0.115 7.120 1.00 1.00 H new ATOM 1005 N PRO A 69 68.994 -3.917 7.167 1.00 1.00 N ATOM 1006 CA PRO A 69 68.256 -5.099 6.636 1.00 1.00 C ATOM 1007 C PRO A 69 67.862 -4.934 5.163 1.00 1.00 C ATOM 1008 O PRO A 69 67.841 -5.888 4.412 1.00 1.00 O ATOM 1009 CB PRO A 69 67.009 -5.212 7.531 1.00 1.00 C ATOM 1010 CG PRO A 69 66.914 -3.919 8.275 1.00 1.00 C ATOM 1011 CD PRO A 69 68.326 -3.334 8.339 1.00 1.00 C ATOM 0 HA PRO A 69 68.876 -5.995 6.661 1.00 1.00 H new ATOM 0 HB2 PRO A 69 66.114 -5.384 6.933 1.00 1.00 H new ATOM 0 HB3 PRO A 69 67.098 -6.052 8.220 1.00 1.00 H new ATOM 0 HG2 PRO A 69 66.235 -3.232 7.770 1.00 1.00 H new ATOM 0 HG3 PRO A 69 66.517 -4.079 9.278 1.00 1.00 H new ATOM 0 HD2 PRO A 69 68.312 -2.245 8.292 1.00 1.00 H new ATOM 0 HD3 PRO A 69 68.831 -3.606 9.266 1.00 1.00 H new ATOM 1019 N TRP A 70 67.551 -3.739 4.737 1.00 1.00 N ATOM 1020 CA TRP A 70 67.165 -3.548 3.310 1.00 1.00 C ATOM 1021 C TRP A 70 68.427 -3.503 2.436 1.00 1.00 C ATOM 1022 O TRP A 70 68.501 -2.767 1.473 1.00 1.00 O ATOM 1023 CB TRP A 70 66.362 -2.246 3.151 1.00 1.00 C ATOM 1024 CG TRP A 70 66.772 -1.270 4.206 1.00 1.00 C ATOM 1025 CD1 TRP A 70 67.808 -0.406 4.105 1.00 1.00 C ATOM 1026 CD2 TRP A 70 66.175 -1.041 5.516 1.00 1.00 C ATOM 1027 NE1 TRP A 70 67.887 0.337 5.268 1.00 1.00 N ATOM 1028 CE2 TRP A 70 66.902 -0.016 6.169 1.00 1.00 C ATOM 1029 CE3 TRP A 70 65.086 -1.616 6.194 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 66.559 0.422 7.451 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 64.739 -1.179 7.481 1.00 1.00 C ATOM 1032 CH2 TRP A 70 65.472 -0.163 8.109 1.00 1.00 C ATOM 0 H TRP A 70 67.547 -2.895 5.309 1.00 1.00 H new ATOM 0 HA TRP A 70 66.541 -4.383 2.992 1.00 1.00 H new ATOM 0 HB2 TRP A 70 66.533 -1.820 2.162 1.00 1.00 H new ATOM 0 HB3 TRP A 70 65.295 -2.454 3.229 1.00 1.00 H new ATOM 0 HD1 TRP A 70 68.466 -0.312 3.254 1.00 1.00 H new ATOM 0 HE1 TRP A 70 68.588 1.058 5.440 1.00 1.00 H new ATOM 0 HE3 TRP A 70 64.513 -2.399 5.721 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 67.128 1.205 7.930 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 63.901 -1.629 7.992 1.00 1.00 H new ATOM 0 HH2 TRP A 70 65.198 0.168 9.100 1.00 1.00 H new ATOM 1043 N GLU A 71 69.416 -4.297 2.760 1.00 1.00 N ATOM 1044 CA GLU A 71 70.666 -4.306 1.942 1.00 1.00 C ATOM 1045 C GLU A 71 71.442 -5.602 2.196 1.00 1.00 C ATOM 1046 O GLU A 71 72.656 -5.619 2.193 1.00 1.00 O ATOM 1047 CB GLU A 71 71.542 -3.107 2.321 1.00 1.00 C ATOM 1048 CG GLU A 71 70.970 -1.833 1.697 1.00 1.00 C ATOM 1049 CD GLU A 71 72.075 -0.782 1.575 1.00 1.00 C ATOM 1050 OE1 GLU A 71 73.177 -1.056 2.021 1.00 1.00 O ATOM 1051 OE2 GLU A 71 71.801 0.278 1.038 1.00 1.00 O ATOM 0 H GLU A 71 69.412 -4.938 3.554 1.00 1.00 H new ATOM 0 HA GLU A 71 70.401 -4.243 0.887 1.00 1.00 H new ATOM 0 HB2 GLU A 71 71.586 -3.004 3.405 1.00 1.00 H new ATOM 0 HB3 GLU A 71 72.563 -3.266 1.975 1.00 1.00 H new ATOM 0 HG2 GLU A 71 70.553 -2.053 0.714 1.00 1.00 H new ATOM 0 HG3 GLU A 71 70.155 -1.449 2.311 1.00 1.00 H new ATOM 1058 N ALA A 72 70.757 -6.689 2.412 1.00 1.00 N ATOM 1059 CA ALA A 72 71.466 -7.976 2.655 1.00 1.00 C ATOM 1060 C ALA A 72 72.025 -8.503 1.330 1.00 1.00 C ATOM 1061 O ALA A 72 71.728 -9.606 0.915 1.00 1.00 O ATOM 1062 CB ALA A 72 70.488 -8.997 3.239 1.00 1.00 C ATOM 0 H ALA A 72 69.739 -6.743 2.431 1.00 1.00 H new ATOM 0 HA ALA A 72 72.283 -7.816 3.359 1.00 1.00 H new ATOM 0 HB1 ALA A 72 71.008 -9.939 3.416 1.00 1.00 H new ATOM 0 HB2 ALA A 72 70.088 -8.620 4.180 1.00 1.00 H new ATOM 0 HB3 ALA A 72 69.670 -9.161 2.537 1.00 1.00 H new ATOM 1068 N CYS A 73 72.835 -7.724 0.663 1.00 1.00 N ATOM 1069 CA CYS A 73 73.412 -8.184 -0.633 1.00 1.00 C ATOM 1070 C CYS A 73 74.598 -9.112 -0.356 1.00 1.00 C ATOM 1071 O CYS A 73 75.609 -8.701 0.178 1.00 1.00 O ATOM 1072 CB CYS A 73 73.883 -6.974 -1.446 1.00 1.00 C ATOM 1073 SG CYS A 73 72.487 -5.859 -1.736 1.00 1.00 S ATOM 0 H CYS A 73 73.121 -6.791 0.959 1.00 1.00 H new ATOM 0 HA CYS A 73 72.652 -8.722 -1.200 1.00 1.00 H new ATOM 0 HB2 CYS A 73 74.675 -6.450 -0.912 1.00 1.00 H new ATOM 0 HB3 CYS A 73 74.303 -7.303 -2.397 1.00 1.00 H new ATOM 1078 N ASN A 74 74.474 -10.364 -0.704 1.00 1.00 N ATOM 1079 CA ASN A 74 75.585 -11.327 -0.452 1.00 1.00 C ATOM 1080 C ASN A 74 76.619 -11.240 -1.576 1.00 1.00 C ATOM 1081 O ASN A 74 77.578 -11.985 -1.604 1.00 1.00 O ATOM 1082 CB ASN A 74 75.019 -12.748 -0.397 1.00 1.00 C ATOM 1083 CG ASN A 74 74.158 -12.907 0.857 1.00 1.00 C ATOM 1084 OD1 ASN A 74 74.607 -12.641 1.955 1.00 1.00 O ATOM 1085 ND2 ASN A 74 72.929 -13.332 0.741 1.00 1.00 N ATOM 0 H ASN A 74 73.649 -10.763 -1.153 1.00 1.00 H new ATOM 0 HA ASN A 74 76.064 -11.080 0.496 1.00 1.00 H new ATOM 0 HB2 ASN A 74 74.423 -12.948 -1.288 1.00 1.00 H new ATOM 0 HB3 ASN A 74 75.832 -13.474 -0.387 1.00 1.00 H new ATOM 0 HD21 ASN A 74 72.346 -13.441 1.571 1.00 1.00 H new ATOM 0 HD22 ASN A 74 72.551 -13.555 -0.180 1.00 1.00 H new ATOM 1092 N HIS A 75 76.434 -10.342 -2.505 1.00 1.00 N ATOM 1093 CA HIS A 75 77.413 -10.221 -3.624 1.00 1.00 C ATOM 1094 C HIS A 75 76.929 -9.154 -4.613 1.00 1.00 C ATOM 1095 O HIS A 75 77.545 -8.920 -5.634 1.00 1.00 O ATOM 1096 CB HIS A 75 77.537 -11.577 -4.340 1.00 1.00 C ATOM 1097 CG HIS A 75 78.908 -12.147 -4.103 1.00 1.00 C ATOM 1098 ND1 HIS A 75 79.576 -11.992 -2.897 1.00 1.00 N ATOM 1099 CD2 HIS A 75 79.751 -12.875 -4.909 1.00 1.00 C ATOM 1100 CE1 HIS A 75 80.764 -12.612 -3.007 1.00 1.00 C ATOM 1101 NE2 HIS A 75 80.920 -13.165 -4.212 1.00 1.00 N ATOM 0 H HIS A 75 75.651 -9.689 -2.538 1.00 1.00 H new ATOM 0 HA HIS A 75 78.387 -9.930 -3.230 1.00 1.00 H new ATOM 0 HB2 HIS A 75 76.777 -12.266 -3.971 1.00 1.00 H new ATOM 0 HB3 HIS A 75 77.363 -11.453 -5.409 1.00 1.00 H new ATOM 0 HD1 HIS A 75 79.229 -11.497 -2.075 1.00 1.00 H new ATOM 0 HD2 HIS A 75 79.539 -13.175 -5.925 1.00 1.00 H new ATOM 0 HE1 HIS A 75 81.501 -12.657 -2.218 1.00 1.00 H new ATOM 1110 N CYS A 76 75.831 -8.507 -4.321 1.00 1.00 N ATOM 1111 CA CYS A 76 75.312 -7.462 -5.249 1.00 1.00 C ATOM 1112 C CYS A 76 74.992 -8.100 -6.603 1.00 1.00 C ATOM 1113 O CYS A 76 75.786 -8.833 -7.158 1.00 1.00 O ATOM 1114 CB CYS A 76 76.371 -6.366 -5.434 1.00 1.00 C ATOM 1115 SG CYS A 76 75.791 -4.830 -4.671 1.00 1.00 S ATOM 0 H CYS A 76 75.273 -8.658 -3.481 1.00 1.00 H new ATOM 0 HA CYS A 76 74.407 -7.021 -4.831 1.00 1.00 H new ATOM 0 HB2 CYS A 76 77.313 -6.676 -4.982 1.00 1.00 H new ATOM 0 HB3 CYS A 76 76.564 -6.207 -6.495 1.00 1.00 H new ATOM 1120 N GLU A 77 73.836 -7.829 -7.143 1.00 1.00 N ATOM 1121 CA GLU A 77 73.478 -8.424 -8.461 1.00 1.00 C ATOM 1122 C GLU A 77 74.597 -8.138 -9.464 1.00 1.00 C ATOM 1123 O GLU A 77 74.782 -8.858 -10.425 1.00 1.00 O ATOM 1124 CB GLU A 77 72.167 -7.807 -8.963 1.00 1.00 C ATOM 1125 CG GLU A 77 70.982 -8.579 -8.380 1.00 1.00 C ATOM 1126 CD GLU A 77 70.799 -9.890 -9.148 1.00 1.00 C ATOM 1127 OE1 GLU A 77 70.930 -9.867 -10.360 1.00 1.00 O ATOM 1128 OE2 GLU A 77 70.533 -10.895 -8.509 1.00 1.00 O ATOM 0 H GLU A 77 73.126 -7.224 -6.730 1.00 1.00 H new ATOM 0 HA GLU A 77 73.351 -9.501 -8.354 1.00 1.00 H new ATOM 0 HB2 GLU A 77 72.111 -6.759 -8.670 1.00 1.00 H new ATOM 0 HB3 GLU A 77 72.133 -7.836 -10.052 1.00 1.00 H new ATOM 0 HG2 GLU A 77 71.153 -8.785 -7.323 1.00 1.00 H new ATOM 0 HG3 GLU A 77 70.075 -7.978 -8.445 1.00 1.00 H new ATOM 1135 N LEU A 78 75.347 -7.091 -9.246 1.00 1.00 N ATOM 1136 CA LEU A 78 76.456 -6.756 -10.183 1.00 1.00 C ATOM 1137 C LEU A 78 77.769 -7.311 -9.628 1.00 1.00 C ATOM 1138 O LEU A 78 77.932 -7.468 -8.434 1.00 1.00 O ATOM 1139 CB LEU A 78 76.557 -5.233 -10.322 1.00 1.00 C ATOM 1140 CG LEU A 78 77.687 -4.878 -11.290 1.00 1.00 C ATOM 1141 CD1 LEU A 78 77.387 -5.474 -12.667 1.00 1.00 C ATOM 1142 CD2 LEU A 78 77.797 -3.357 -11.407 1.00 1.00 C ATOM 0 H LEU A 78 75.239 -6.453 -8.458 1.00 1.00 H new ATOM 0 HA LEU A 78 76.261 -7.197 -11.161 1.00 1.00 H new ATOM 0 HB2 LEU A 78 75.613 -4.828 -10.686 1.00 1.00 H new ATOM 0 HB3 LEU A 78 76.744 -4.781 -9.348 1.00 1.00 H new ATOM 0 HG LEU A 78 78.627 -5.284 -10.916 1.00 1.00 H new ATOM 0 HD11 LEU A 78 78.192 -5.221 -13.356 1.00 1.00 H new ATOM 0 HD12 LEU A 78 77.307 -6.558 -12.585 1.00 1.00 H new ATOM 0 HD13 LEU A 78 76.447 -5.068 -13.042 1.00 1.00 H new ATOM 0 HD21 LEU A 78 78.602 -3.102 -12.096 1.00 1.00 H new ATOM 0 HD22 LEU A 78 76.857 -2.952 -11.781 1.00 1.00 H new ATOM 0 HD23 LEU A 78 78.011 -2.931 -10.427 1.00 1.00 H new ATOM 1154 N HIS A 79 78.706 -7.610 -10.484 1.00 1.00 N ATOM 1155 CA HIS A 79 80.007 -8.156 -10.006 1.00 1.00 C ATOM 1156 C HIS A 79 81.083 -7.889 -11.062 1.00 1.00 C ATOM 1157 O HIS A 79 81.215 -8.618 -12.026 1.00 1.00 O ATOM 1158 CB HIS A 79 79.865 -9.669 -9.770 1.00 1.00 C ATOM 1159 CG HIS A 79 80.384 -10.015 -8.401 1.00 1.00 C ATOM 1160 ND1 HIS A 79 81.191 -11.119 -8.174 1.00 1.00 N ATOM 1161 CD2 HIS A 79 80.218 -9.412 -7.178 1.00 1.00 C ATOM 1162 CE1 HIS A 79 81.481 -11.148 -6.861 1.00 1.00 C ATOM 1163 NE2 HIS A 79 80.913 -10.131 -6.210 1.00 1.00 N ATOM 0 H HIS A 79 78.627 -7.500 -11.495 1.00 1.00 H new ATOM 0 HA HIS A 79 80.294 -7.673 -9.072 1.00 1.00 H new ATOM 0 HB2 HIS A 79 78.820 -9.965 -9.860 1.00 1.00 H new ATOM 0 HB3 HIS A 79 80.419 -10.220 -10.530 1.00 1.00 H new ATOM 0 HD2 HIS A 79 79.638 -8.519 -6.996 1.00 1.00 H new ATOM 0 HE1 HIS A 79 82.097 -11.901 -6.392 1.00 1.00 H new ATOM 0 HE2 HIS A 79 80.975 -9.924 -5.213 1.00 1.00 H new ATOM 1172 N GLU A 80 81.852 -6.846 -10.885 1.00 1.00 N ATOM 1173 CA GLU A 80 82.923 -6.520 -11.873 1.00 1.00 C ATOM 1174 C GLU A 80 84.286 -6.599 -11.185 1.00 1.00 C ATOM 1175 O GLU A 80 85.021 -7.553 -11.349 1.00 1.00 O ATOM 1176 CB GLU A 80 82.705 -5.102 -12.407 1.00 1.00 C ATOM 1177 CG GLU A 80 83.726 -4.807 -13.508 1.00 1.00 C ATOM 1178 CD GLU A 80 85.066 -4.428 -12.874 1.00 1.00 C ATOM 1179 OE1 GLU A 80 85.199 -3.292 -12.451 1.00 1.00 O ATOM 1180 OE2 GLU A 80 85.936 -5.282 -12.821 1.00 1.00 O ATOM 0 H GLU A 80 81.784 -6.204 -10.096 1.00 1.00 H new ATOM 0 HA GLU A 80 82.889 -7.231 -12.699 1.00 1.00 H new ATOM 0 HB2 GLU A 80 81.693 -5.001 -12.799 1.00 1.00 H new ATOM 0 HB3 GLU A 80 82.807 -4.378 -11.599 1.00 1.00 H new ATOM 0 HG2 GLU A 80 83.849 -5.681 -14.148 1.00 1.00 H new ATOM 0 HG3 GLU A 80 83.369 -3.995 -14.142 1.00 1.00 H new ATOM 1187 N LEU A 81 84.631 -5.601 -10.416 1.00 1.00 N ATOM 1188 CA LEU A 81 85.949 -5.619 -9.721 1.00 1.00 C ATOM 1189 C LEU A 81 85.841 -6.434 -8.428 1.00 1.00 C ATOM 1190 O LEU A 81 86.733 -6.430 -7.605 1.00 1.00 O ATOM 1191 CB LEU A 81 86.388 -4.178 -9.410 1.00 1.00 C ATOM 1192 CG LEU A 81 85.633 -3.660 -8.184 1.00 1.00 C ATOM 1193 CD1 LEU A 81 86.011 -2.200 -7.931 1.00 1.00 C ATOM 1194 CD2 LEU A 81 84.127 -3.760 -8.435 1.00 1.00 C ATOM 0 H LEU A 81 84.058 -4.776 -10.240 1.00 1.00 H new ATOM 0 HA LEU A 81 86.695 -6.083 -10.366 1.00 1.00 H new ATOM 0 HB2 LEU A 81 87.462 -4.147 -9.227 1.00 1.00 H new ATOM 0 HB3 LEU A 81 86.192 -3.535 -10.268 1.00 1.00 H new ATOM 0 HG LEU A 81 85.898 -4.260 -7.313 1.00 1.00 H new ATOM 0 HD11 LEU A 81 85.473 -1.831 -7.058 1.00 1.00 H new ATOM 0 HD12 LEU A 81 87.084 -2.127 -7.754 1.00 1.00 H new ATOM 0 HD13 LEU A 81 85.746 -1.599 -8.801 1.00 1.00 H new ATOM 0 HD21 LEU A 81 83.587 -3.391 -7.563 1.00 1.00 H new ATOM 0 HD22 LEU A 81 83.863 -3.160 -9.306 1.00 1.00 H new ATOM 0 HD23 LEU A 81 83.857 -4.800 -8.616 1.00 1.00 H new ATOM 1206 N ALA A 82 84.757 -7.139 -8.245 1.00 1.00 N ATOM 1207 CA ALA A 82 84.600 -7.957 -7.007 1.00 1.00 C ATOM 1208 C ALA A 82 85.862 -8.793 -6.789 1.00 1.00 C ATOM 1209 O ALA A 82 86.173 -9.674 -7.566 1.00 1.00 O ATOM 1210 CB ALA A 82 83.394 -8.885 -7.159 1.00 1.00 C ATOM 0 H ALA A 82 83.975 -7.184 -8.898 1.00 1.00 H new ATOM 0 HA ALA A 82 84.446 -7.299 -6.152 1.00 1.00 H new ATOM 0 HB1 ALA A 82 83.279 -9.483 -6.255 1.00 1.00 H new ATOM 0 HB2 ALA A 82 82.495 -8.290 -7.318 1.00 1.00 H new ATOM 0 HB3 ALA A 82 83.548 -9.545 -8.013 1.00 1.00 H new ATOM 1216 N GLN A 83 86.595 -8.522 -5.740 1.00 1.00 N ATOM 1217 CA GLN A 83 87.843 -9.299 -5.474 1.00 1.00 C ATOM 1218 C GLN A 83 87.817 -9.861 -4.048 1.00 1.00 C ATOM 1219 O GLN A 83 88.076 -11.029 -3.836 1.00 1.00 O ATOM 1220 CB GLN A 83 89.062 -8.384 -5.647 1.00 1.00 C ATOM 1221 CG GLN A 83 88.747 -6.997 -5.084 1.00 1.00 C ATOM 1222 CD GLN A 83 89.972 -6.093 -5.236 1.00 1.00 C ATOM 1223 OE1 GLN A 83 89.881 -4.893 -5.066 1.00 1.00 O ATOM 1224 NE2 GLN A 83 91.122 -6.622 -5.551 1.00 1.00 N ATOM 0 H GLN A 83 86.383 -7.796 -5.056 1.00 1.00 H new ATOM 0 HA GLN A 83 87.907 -10.127 -6.180 1.00 1.00 H new ATOM 0 HB2 GLN A 83 89.924 -8.809 -5.133 1.00 1.00 H new ATOM 0 HB3 GLN A 83 89.325 -8.308 -6.702 1.00 1.00 H new ATOM 0 HG2 GLN A 83 87.896 -6.565 -5.609 1.00 1.00 H new ATOM 0 HG3 GLN A 83 88.467 -7.074 -4.033 1.00 1.00 H new ATOM 0 HE21 GLN A 83 91.198 -7.629 -5.694 1.00 1.00 H new ATOM 0 HE22 GLN A 83 91.945 -6.029 -5.655 1.00 1.00 H new ATOM 1233 N TYR A 84 87.506 -9.049 -3.070 1.00 1.00 N ATOM 1234 CA TYR A 84 87.469 -9.552 -1.662 1.00 1.00 C ATOM 1235 C TYR A 84 87.473 -8.363 -0.697 1.00 1.00 C ATOM 1236 O TYR A 84 88.507 -7.802 -0.392 1.00 1.00 O ATOM 1237 CB TYR A 84 88.697 -10.436 -1.396 1.00 1.00 C ATOM 1238 CG TYR A 84 89.084 -10.340 0.060 1.00 1.00 C ATOM 1239 CD1 TYR A 84 88.250 -10.885 1.044 1.00 1.00 C ATOM 1240 CD2 TYR A 84 90.277 -9.705 0.427 1.00 1.00 C ATOM 1241 CE1 TYR A 84 88.609 -10.795 2.394 1.00 1.00 C ATOM 1242 CE2 TYR A 84 90.636 -9.615 1.777 1.00 1.00 C ATOM 1243 CZ TYR A 84 89.802 -10.161 2.761 1.00 1.00 C ATOM 1244 OH TYR A 84 90.156 -10.072 4.092 1.00 1.00 O ATOM 0 H TYR A 84 87.276 -8.062 -3.184 1.00 1.00 H new ATOM 0 HA TYR A 84 86.564 -10.140 -1.511 1.00 1.00 H new ATOM 0 HB2 TYR A 84 88.476 -11.471 -1.656 1.00 1.00 H new ATOM 0 HB3 TYR A 84 89.529 -10.120 -2.025 1.00 1.00 H new ATOM 0 HD1 TYR A 84 87.330 -11.375 0.761 1.00 1.00 H new ATOM 0 HD2 TYR A 84 90.920 -9.285 -0.332 1.00 1.00 H new ATOM 0 HE1 TYR A 84 87.965 -11.215 3.153 1.00 1.00 H new ATOM 0 HE2 TYR A 84 91.556 -9.125 2.060 1.00 1.00 H new ATOM 0 HH TYR A 84 91.013 -9.603 4.172 1.00 1.00 H new ATOM 1254 N GLY A 85 86.323 -7.974 -0.222 1.00 1.00 N ATOM 1255 CA GLY A 85 86.243 -6.818 0.721 1.00 1.00 C ATOM 1256 C GLY A 85 85.348 -5.761 0.091 1.00 1.00 C ATOM 1257 O GLY A 85 84.740 -4.952 0.762 1.00 1.00 O ATOM 0 H GLY A 85 85.428 -8.409 -0.447 1.00 1.00 H new ATOM 0 HA2 GLY A 85 85.839 -7.137 1.682 1.00 1.00 H new ATOM 0 HA3 GLY A 85 87.236 -6.412 0.912 1.00 1.00 H new ATOM 1261 N ILE A 86 85.262 -5.783 -1.205 1.00 1.00 N ATOM 1262 CA ILE A 86 84.408 -4.808 -1.927 1.00 1.00 C ATOM 1263 C ILE A 86 82.953 -5.287 -1.872 1.00 1.00 C ATOM 1264 O ILE A 86 82.568 -6.024 -0.986 1.00 1.00 O ATOM 1265 CB ILE A 86 84.881 -4.711 -3.387 1.00 1.00 C ATOM 1266 CG1 ILE A 86 85.517 -6.039 -3.805 1.00 1.00 C ATOM 1267 CG2 ILE A 86 85.914 -3.590 -3.517 1.00 1.00 C ATOM 1268 CD1 ILE A 86 84.518 -7.176 -3.582 1.00 1.00 C ATOM 0 H ILE A 86 85.755 -6.446 -1.804 1.00 1.00 H new ATOM 0 HA ILE A 86 84.480 -3.824 -1.464 1.00 1.00 H new ATOM 0 HB ILE A 86 84.028 -4.495 -4.031 1.00 1.00 H new ATOM 0 HG12 ILE A 86 85.811 -5.999 -4.854 1.00 1.00 H new ATOM 0 HG13 ILE A 86 86.423 -6.218 -3.227 1.00 1.00 H new ATOM 0 HG21 ILE A 86 86.249 -3.522 -4.552 1.00 1.00 H new ATOM 0 HG22 ILE A 86 85.463 -2.644 -3.218 1.00 1.00 H new ATOM 0 HG23 ILE A 86 86.767 -3.805 -2.873 1.00 1.00 H new ATOM 0 HD11 ILE A 86 84.971 -8.122 -3.880 1.00 1.00 H new ATOM 0 HD12 ILE A 86 84.246 -7.220 -2.527 1.00 1.00 H new ATOM 0 HD13 ILE A 86 83.624 -6.998 -4.180 1.00 1.00 H new ATOM 1280 N CYS A 87 82.145 -4.876 -2.807 1.00 1.00 N ATOM 1281 CA CYS A 87 80.719 -5.308 -2.803 1.00 1.00 C ATOM 1282 C CYS A 87 80.611 -6.715 -3.395 1.00 1.00 C ATOM 1283 CB CYS A 87 79.889 -4.334 -3.642 1.00 1.00 C ATOM 1284 SG CYS A 87 80.395 -2.636 -3.271 1.00 1.00 S ATOM 0 H CYS A 87 82.410 -4.259 -3.575 1.00 1.00 H new ATOM 0 HA CYS A 87 80.344 -5.316 -1.780 1.00 1.00 H new ATOM 0 HB2 CYS A 87 80.027 -4.542 -4.703 1.00 1.00 H new ATOM 0 HB3 CYS A 87 78.828 -4.464 -3.427 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 64.293 -15.829 14.043 1.00 1.00 C HETATM 1291 O1G RCY A 110 65.169 -13.960 13.718 1.00 1.00 O HETATM 1292 O1H RCY A 110 61.117 -11.933 12.386 1.00 1.00 O HETATM 1293 O1J RCY A 110 64.340 -14.522 16.756 1.00 1.00 O HETATM 1294 C1L RCY A 110 64.644 -11.882 12.539 1.00 1.00 C HETATM 1295 C1M RCY A 110 61.067 -14.176 14.788 1.00 1.00 C HETATM 1296 C1P RCY A 110 64.323 -13.215 13.225 1.00 1.00 C HETATM 1297 C1Q RCY A 110 62.278 -12.340 12.401 1.00 1.00 C HETATM 1298 N1R RCY A 110 62.823 -13.503 13.220 1.00 1.00 N HETATM 1299 C1S RCY A 110 63.436 -11.771 11.602 1.00 1.00 C HETATM 1300 C1U RCY A 110 62.055 -14.658 13.866 1.00 1.00 C HETATM 1301 C1V RCY A 110 62.236 -16.855 15.112 1.00 1.00 C HETATM 1302 N1V RCY A 110 63.139 -14.672 15.941 1.00 1.00 N HETATM 1303 C1W RCY A 110 61.793 -13.972 16.124 1.00 1.00 C HETATM 1304 C1X RCY A 110 62.947 -15.559 14.719 1.00 1.00 C HETATM 1305 C1Y RCY A 110 61.006 -14.616 17.269 1.00 1.00 C HETATM 1306 C1Z RCY A 110 62.034 -12.489 16.404 1.00 1.00 C HETATM 0 H1ZB RCY A 110 62.646 -12.063 15.609 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 61.078 -11.967 16.446 1.00 1.00 H new HETATM 0 H1YB RCY A 110 60.017 -14.161 17.332 1.00 1.00 H new HETATM 0 H1YA RCY A 110 60.903 -15.685 17.083 1.00 1.00 H new HETATM 0 H1VB RCY A 110 62.056 -17.456 14.221 1.00 1.00 H new HETATM 0 H1VA RCY A 110 62.860 -17.416 15.807 1.00 1.00 H new HETATM 0 H1MA RCY A 110 60.629 -13.242 14.436 1.00 1.00 H new HETATM 0 H1LA RCY A 110 64.702 -11.053 13.244 1.00 1.00 H new HETATM 0 H1CB RCY A 110 64.127 -16.321 13.085 1.00 1.00 H new HETATM 0 H1CA RCY A 110 64.815 -14.886 13.881 1.00 1.00 H new HETATM 0 H1Z RCY A 110 62.550 -12.378 17.358 1.00 1.00 H new HETATM 0 H1Y RCY A 110 61.537 -14.461 18.208 1.00 1.00 H new HETATM 0 H1V RCY A 110 61.285 -16.618 15.589 1.00 1.00 H new HETATM 0 H1U RCY A 110 61.625 -15.200 13.024 1.00 1.00 H new HETATM 0 H1S RCY A 110 63.596 -12.332 10.681 1.00 1.00 H new HETATM 0 H1M RCY A 110 60.251 -14.891 14.893 1.00 1.00 H new HETATM 0 H1L RCY A 110 65.590 -11.908 11.999 1.00 1.00 H new HETATM 0 H1C RCY A 110 64.898 -16.473 14.681 1.00 1.00 H new HETATM 1309 C1C RCY A 121 55.807 -3.357 -6.344 1.00 1.00 C HETATM 1310 O1G RCY A 121 57.652 -4.513 -8.150 1.00 1.00 O HETATM 1311 O1H RCY A 121 60.692 -5.250 -4.612 1.00 1.00 O HETATM 1312 O1J RCY A 121 54.569 -2.829 -3.650 1.00 1.00 O HETATM 1313 C1L RCY A 121 60.055 -4.968 -8.074 1.00 1.00 C HETATM 1314 C1M RCY A 121 58.022 -4.497 -3.608 1.00 1.00 C HETATM 1315 C1P RCY A 121 58.666 -4.702 -7.480 1.00 1.00 C HETATM 1316 C1Q RCY A 121 60.186 -4.865 -5.665 1.00 1.00 C HETATM 1317 N1R RCY A 121 58.698 -4.702 -5.953 1.00 1.00 N HETATM 1318 C1S RCY A 121 60.933 -4.463 -6.924 1.00 1.00 C HETATM 1319 C1U RCY A 121 57.542 -4.572 -4.958 1.00 1.00 C HETATM 1320 C1V RCY A 121 57.660 -2.055 -5.206 1.00 1.00 C HETATM 1321 N1V RCY A 121 55.946 -3.272 -3.845 1.00 1.00 N HETATM 1322 C1W RCY A 121 56.905 -3.830 -2.795 1.00 1.00 C HETATM 1323 C1X RCY A 121 56.747 -3.280 -5.140 1.00 1.00 C HETATM 1324 C1Y RCY A 121 57.470 -2.699 -1.931 1.00 1.00 C HETATM 1325 C1Z RCY A 121 56.162 -4.849 -1.931 1.00 1.00 C HETATM 0 H1ZB RCY A 121 55.717 -5.612 -2.570 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 56.861 -5.318 -1.239 1.00 1.00 H new HETATM 0 H1YB RCY A 121 58.214 -3.103 -1.244 1.00 1.00 H new HETATM 0 H1YA RCY A 121 57.936 -1.950 -2.571 1.00 1.00 H new HETATM 0 H1VB RCY A 121 58.267 -2.102 -6.110 1.00 1.00 H new HETATM 0 H1VA RCY A 121 57.053 -1.150 -5.223 1.00 1.00 H new HETATM 0 H1MA RCY A 121 58.247 -5.490 -3.219 1.00 1.00 H new HETATM 0 H1LA RCY A 121 60.220 -6.023 -8.293 1.00 1.00 H new HETATM 0 H1CB RCY A 121 56.389 -3.531 -7.249 1.00 1.00 H new HETATM 0 H1CA RCY A 121 55.101 -4.176 -6.203 1.00 1.00 H new HETATM 0 H1Z RCY A 121 55.377 -4.345 -1.367 1.00 1.00 H new HETATM 0 H1Y RCY A 121 56.663 -2.238 -1.362 1.00 1.00 H new HETATM 0 H1V RCY A 121 58.311 -2.039 -4.332 1.00 1.00 H new HETATM 0 H1U RCY A 121 56.926 -5.452 -5.144 1.00 1.00 H new HETATM 0 H1S RCY A 121 61.070 -3.383 -6.975 1.00 1.00 H new HETATM 0 H1M RCY A 121 58.943 -3.917 -3.554 1.00 1.00 H new HETATM 0 H1L RCY A 121 60.225 -4.420 -9.001 1.00 1.00 H new HETATM 0 H1C RCY A 121 55.260 -2.419 -6.439 1.00 1.00 H new HETATM 1328 C1C RCY A 130 66.790 7.759 -12.714 1.00 1.00 C HETATM 1329 O1G RCY A 130 68.371 7.269 -13.832 1.00 1.00 O HETATM 1330 O1H RCY A 130 71.348 10.304 -11.777 1.00 1.00 O HETATM 1331 O1J RCY A 130 67.811 5.889 -10.587 1.00 1.00 O HETATM 1332 C1L RCY A 130 70.719 7.837 -14.223 1.00 1.00 C HETATM 1333 C1M RCY A 130 68.747 9.583 -10.157 1.00 1.00 C HETATM 1334 C1P RCY A 130 69.348 7.958 -13.545 1.00 1.00 C HETATM 1335 C1Q RCY A 130 70.743 9.638 -12.615 1.00 1.00 C HETATM 1336 N1R RCY A 130 69.348 9.042 -12.469 1.00 1.00 N HETATM 1337 C1S RCY A 130 71.252 9.255 -13.992 1.00 1.00 C HETATM 1338 C1U RCY A 130 68.239 9.437 -11.491 1.00 1.00 C HETATM 1339 C1V RCY A 130 65.926 8.892 -10.617 1.00 1.00 C HETATM 1340 N1V RCY A 130 67.891 7.344 -10.503 1.00 1.00 N HETATM 1341 C1W RCY A 130 68.730 8.179 -9.538 1.00 1.00 C HETATM 1342 C1X RCY A 130 67.157 8.367 -11.359 1.00 1.00 C HETATM 1343 C1Y RCY A 130 68.079 8.210 -8.152 1.00 1.00 C HETATM 1344 C1Z RCY A 130 70.138 7.590 -9.460 1.00 1.00 C HETATM 0 H1ZB RCY A 130 70.560 7.522 -10.463 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 70.768 8.233 -8.845 1.00 1.00 H new HETATM 0 H1YB RCY A 130 68.643 8.877 -7.500 1.00 1.00 H new HETATM 0 H1YA RCY A 130 67.054 8.570 -8.239 1.00 1.00 H new HETATM 0 H1VB RCY A 130 65.441 9.662 -11.216 1.00 1.00 H new HETATM 0 H1VA RCY A 130 65.228 8.073 -10.445 1.00 1.00 H new HETATM 0 H1MA RCY A 130 69.757 9.992 -10.168 1.00 1.00 H new HETATM 0 H1LA RCY A 130 71.347 7.075 -13.762 1.00 1.00 H new HETATM 0 H1CB RCY A 130 66.418 8.542 -13.375 1.00 1.00 H new HETATM 0 H1CA RCY A 130 67.673 7.299 -13.158 1.00 1.00 H new HETATM 0 H1Z RCY A 130 70.092 6.595 -9.017 1.00 1.00 H new HETATM 0 H1Y RCY A 130 68.076 7.205 -7.729 1.00 1.00 H new HETATM 0 H1V RCY A 130 66.231 9.315 -9.660 1.00 1.00 H new HETATM 0 H1U RCY A 130 67.838 10.365 -11.899 1.00 1.00 H new HETATM 0 H1S RCY A 130 70.888 9.944 -14.754 1.00 1.00 H new HETATM 0 H1M RCY A 130 68.131 10.271 -9.579 1.00 1.00 H new HETATM 0 H1L RCY A 130 70.641 7.588 -15.281 1.00 1.00 H new HETATM 0 H1C RCY A 130 66.017 7.003 -12.576 1.00 1.00 H new HETATM 1347 C1C RCY A 138 74.812 9.235 2.971 1.00 1.00 C HETATM 1348 O1G RCY A 138 77.167 9.043 4.657 1.00 1.00 O HETATM 1349 O1H RCY A 138 78.863 12.916 2.553 1.00 1.00 O HETATM 1350 O1J RCY A 138 72.717 10.746 1.423 1.00 1.00 O HETATM 1351 C1L RCY A 138 79.421 9.960 4.402 1.00 1.00 C HETATM 1352 C1M RCY A 138 75.973 12.646 2.127 1.00 1.00 C HETATM 1353 C1P RCY A 138 77.902 9.913 4.193 1.00 1.00 C HETATM 1354 C1Q RCY A 138 78.725 11.761 2.952 1.00 1.00 C HETATM 1355 N1R RCY A 138 77.416 11.082 3.338 1.00 1.00 N HETATM 1356 C1S RCY A 138 79.834 10.744 3.151 1.00 1.00 C HETATM 1357 C1U RCY A 138 75.987 11.478 2.960 1.00 1.00 C HETATM 1358 C1V RCY A 138 76.141 9.962 0.938 1.00 1.00 C HETATM 1359 N1V RCY A 138 74.085 11.216 1.622 1.00 1.00 N HETATM 1360 C1W RCY A 138 74.634 12.621 1.379 1.00 1.00 C HETATM 1361 C1X RCY A 138 75.281 10.416 2.119 1.00 1.00 C HETATM 1362 C1Y RCY A 138 74.849 12.859 -0.119 1.00 1.00 C HETATM 1363 C1Z RCY A 138 73.657 13.647 1.953 1.00 1.00 C HETATM 0 H1ZB RCY A 138 73.471 13.424 3.004 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 74.084 14.646 1.864 1.00 1.00 H new HETATM 0 H1YB RCY A 138 75.319 13.831 -0.269 1.00 1.00 H new HETATM 0 H1YA RCY A 138 75.493 12.078 -0.523 1.00 1.00 H new HETATM 0 H1VB RCY A 138 77.022 9.438 1.309 1.00 1.00 H new HETATM 0 H1VA RCY A 138 75.562 9.292 0.303 1.00 1.00 H new HETATM 0 H1MA RCY A 138 76.068 13.552 2.725 1.00 1.00 H new HETATM 0 H1LA RCY A 138 79.700 10.469 5.325 1.00 1.00 H new HETATM 0 H1CB RCY A 138 75.672 8.772 3.455 1.00 1.00 H new HETATM 0 H1CA RCY A 138 74.115 9.589 3.731 1.00 1.00 H new HETATM 0 H1Z RCY A 138 72.718 13.604 1.401 1.00 1.00 H new HETATM 0 H1Y RCY A 138 73.888 12.838 -0.632 1.00 1.00 H new HETATM 0 H1V RCY A 138 76.453 10.832 0.359 1.00 1.00 H new HETATM 0 H1U RCY A 138 75.487 11.629 3.917 1.00 1.00 H new HETATM 0 H1S RCY A 138 79.930 10.088 2.286 1.00 1.00 H new HETATM 0 H1M RCY A 138 76.810 12.636 1.428 1.00 1.00 H new HETATM 0 H1L RCY A 138 79.868 8.967 4.439 1.00 1.00 H new HETATM 0 H1C RCY A 138 74.315 8.502 2.335 1.00 1.00 H new HETATM 1366 C1C RCY A 150 81.385 2.242 1.589 1.00 1.00 C HETATM 1367 O1G RCY A 150 81.589 0.930 4.367 1.00 1.00 O HETATM 1368 O1H RCY A 150 81.614 5.439 5.770 1.00 1.00 O HETATM 1369 O1J RCY A 150 83.679 2.945 -0.230 1.00 1.00 O HETATM 1370 C1L RCY A 150 80.802 2.058 6.391 1.00 1.00 C HETATM 1371 C1M RCY A 150 83.997 4.134 3.402 1.00 1.00 C HETATM 1372 C1P RCY A 150 81.476 1.969 5.015 1.00 1.00 C HETATM 1373 C1Q RCY A 150 81.695 4.211 5.759 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.990 3.331 4.551 1.00 1.00 N HETATM 1375 C1S RCY A 150 81.518 3.291 6.953 1.00 1.00 C HETATM 1376 C1U RCY A 150 82.636 3.721 3.220 1.00 1.00 C HETATM 1377 C1V RCY A 150 83.345 1.311 2.900 1.00 1.00 C HETATM 1378 N1V RCY A 150 83.696 3.133 1.218 1.00 1.00 N HETATM 1379 C1W RCY A 150 84.683 3.959 2.041 1.00 1.00 C HETATM 1380 C1X RCY A 150 82.733 2.550 2.243 1.00 1.00 C HETATM 1381 C1Y RCY A 150 86.008 3.208 2.199 1.00 1.00 C HETATM 1382 C1Z RCY A 150 84.905 5.305 1.353 1.00 1.00 C HETATM 0 H1ZB RCY A 150 83.945 5.796 1.196 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 85.536 5.935 1.980 1.00 1.00 H new HETATM 0 H1YB RCY A 150 86.669 3.771 2.858 1.00 1.00 H new HETATM 0 H1YA RCY A 150 85.820 2.224 2.629 1.00 1.00 H new HETATM 0 H1VB RCY A 150 82.670 0.937 3.670 1.00 1.00 H new HETATM 0 H1VA RCY A 150 83.500 0.539 2.147 1.00 1.00 H new HETATM 0 H1MA RCY A 150 84.048 5.171 3.733 1.00 1.00 H new HETATM 0 H1LA RCY A 150 79.723 2.198 6.319 1.00 1.00 H new HETATM 0 H1CB RCY A 150 80.657 1.985 2.359 1.00 1.00 H new HETATM 0 H1CA RCY A 150 81.039 3.117 1.040 1.00 1.00 H new HETATM 0 H1Z RCY A 150 85.393 5.146 0.391 1.00 1.00 H new HETATM 0 H1Y RCY A 150 86.480 3.093 1.223 1.00 1.00 H new HETATM 0 H1V RCY A 150 84.301 1.574 3.352 1.00 1.00 H new HETATM 0 H1U RCY A 150 81.997 4.515 2.833 1.00 1.00 H new HETATM 0 H1S RCY A 150 82.479 3.025 7.394 1.00 1.00 H new HETATM 0 H1M RCY A 150 84.488 3.531 4.166 1.00 1.00 H new HETATM 0 H1L RCY A 150 80.968 1.167 6.996 1.00 1.00 H new HETATM 0 H1C RCY A 150 81.497 1.403 0.902 1.00 1.00 H new HETATM 1385 C1C RCY A 160 63.288 6.850 0.895 1.00 1.00 C HETATM 1386 O1G RCY A 160 66.220 8.572 5.213 1.00 1.00 O HETATM 1387 O1H RCY A 160 66.129 6.620 0.914 1.00 1.00 O HETATM 1388 O1J RCY A 160 61.163 8.979 0.742 1.00 1.00 O HETATM 1389 C1L RCY A 160 67.865 7.313 3.909 1.00 1.00 C HETATM 1390 C1M RCY A 160 63.995 9.618 3.248 1.00 1.00 C HETATM 1391 C1P RCY A 160 66.498 7.950 4.188 1.00 1.00 C HETATM 1392 C1Q RCY A 160 66.333 6.816 2.111 1.00 1.00 C HETATM 1393 N1R RCY A 160 65.523 7.716 3.035 1.00 1.00 N HETATM 1394 C1S RCY A 160 67.444 6.202 2.942 1.00 1.00 C HETATM 1395 C1U RCY A 160 64.099 8.244 2.847 1.00 1.00 C HETATM 1396 C1V RCY A 160 64.699 8.915 0.481 1.00 1.00 C HETATM 1397 N1V RCY A 160 62.413 9.123 1.482 1.00 1.00 N HETATM 1398 C1W RCY A 160 62.764 10.181 2.527 1.00 1.00 C HETATM 1399 C1X RCY A 160 63.658 8.252 1.385 1.00 1.00 C HETATM 1400 C1Y RCY A 160 63.099 11.512 1.849 1.00 1.00 C HETATM 1401 C1Z RCY A 160 61.585 10.346 3.487 1.00 1.00 C HETATM 0 H1ZB RCY A 160 61.324 9.377 3.913 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 61.861 11.032 4.288 1.00 1.00 H new HETATM 0 H1YB RCY A 160 63.427 12.230 2.600 1.00 1.00 H new HETATM 0 H1YA RCY A 160 63.895 11.359 1.121 1.00 1.00 H new HETATM 0 H1VB RCY A 160 65.605 8.309 0.464 1.00 1.00 H new HETATM 0 H1VA RCY A 160 64.301 9.001 -0.530 1.00 1.00 H new HETATM 0 H1MA RCY A 160 63.885 9.701 4.329 1.00 1.00 H new HETATM 0 H1LA RCY A 160 68.568 8.014 3.459 1.00 1.00 H new HETATM 0 H1CB RCY A 160 64.152 6.192 0.988 1.00 1.00 H new HETATM 0 H1CA RCY A 160 62.468 6.459 1.497 1.00 1.00 H new HETATM 0 H1Z RCY A 160 60.728 10.747 2.945 1.00 1.00 H new HETATM 0 H1Y RCY A 160 62.213 11.896 1.343 1.00 1.00 H new HETATM 0 H1V RCY A 160 64.934 9.908 0.864 1.00 1.00 H new HETATM 0 H1U RCY A 160 63.483 7.575 3.448 1.00 1.00 H new HETATM 0 H1S RCY A 160 67.096 5.320 3.479 1.00 1.00 H new HETATM 0 H1M RCY A 160 64.893 10.172 2.976 1.00 1.00 H new HETATM 0 H1L RCY A 160 68.336 6.924 4.812 1.00 1.00 H new HETATM 0 H1C RCY A 160 62.980 6.899 -0.149 1.00 1.00 H new HETATM 1404 C1C RCY A 168 65.883 2.634 3.176 1.00 1.00 C HETATM 1405 O1G RCY A 168 65.831 -1.687 4.219 1.00 1.00 O HETATM 1406 O1H RCY A 168 69.577 0.832 2.833 1.00 1.00 O HETATM 1407 O1J RCY A 168 63.737 2.789 1.069 1.00 1.00 O HETATM 1408 C1L RCY A 168 68.158 -1.595 4.970 1.00 1.00 C HETATM 1409 C1M RCY A 168 65.775 -0.458 1.146 1.00 1.00 C HETATM 1410 C1P RCY A 168 66.963 -1.227 4.081 1.00 1.00 C HETATM 1411 C1Q RCY A 168 68.857 -0.089 3.217 1.00 1.00 C HETATM 1412 N1R RCY A 168 67.354 -0.218 3.003 1.00 1.00 N HETATM 1413 C1S RCY A 168 69.306 -1.311 3.995 1.00 1.00 C HETATM 1414 C1U RCY A 168 66.473 0.487 1.969 1.00 1.00 C HETATM 1415 C1V RCY A 168 64.582 0.512 3.653 1.00 1.00 C HETATM 1416 N1V RCY A 168 64.484 1.576 1.388 1.00 1.00 N HETATM 1417 C1W RCY A 168 64.563 0.287 0.573 1.00 1.00 C HETATM 1418 C1X RCY A 168 65.358 1.315 2.607 1.00 1.00 C HETATM 1419 C1Y RCY A 168 63.287 -0.541 0.755 1.00 1.00 C HETATM 1420 C1Z RCY A 168 64.772 0.637 -0.900 1.00 1.00 C HETATM 0 H1ZB RCY A 168 65.650 1.274 -1.001 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 64.919 -0.278 -1.474 1.00 1.00 H new HETATM 0 H1YB RCY A 168 63.394 -1.493 0.236 1.00 1.00 H new HETATM 0 H1YA RCY A 168 63.120 -0.723 1.817 1.00 1.00 H new HETATM 0 H1VB RCY A 168 65.235 0.284 4.495 1.00 1.00 H new HETATM 0 H1VA RCY A 168 63.730 1.096 4.002 1.00 1.00 H new HETATM 0 H1MA RCY A 168 66.418 -0.828 0.347 1.00 1.00 H new HETATM 0 H1LA RCY A 168 68.213 -0.982 5.870 1.00 1.00 H new HETATM 0 H1CB RCY A 168 66.634 2.428 3.938 1.00 1.00 H new HETATM 0 H1CA RCY A 168 66.330 3.223 2.375 1.00 1.00 H new HETATM 0 H1Z RCY A 168 63.895 1.164 -1.277 1.00 1.00 H new HETATM 0 H1Y RCY A 168 62.438 0.004 0.342 1.00 1.00 H new HETATM 0 H1V RCY A 168 64.226 -0.417 3.208 1.00 1.00 H new HETATM 0 H1U RCY A 168 67.166 1.112 1.407 1.00 1.00 H new HETATM 0 H1S RCY A 168 69.482 -2.159 3.333 1.00 1.00 H new HETATM 0 H1M RCY A 168 65.460 -1.324 1.729 1.00 1.00 H new HETATM 0 H1L RCY A 168 68.133 -2.636 5.294 1.00 1.00 H new HETATM 0 H1C RCY A 168 65.059 3.192 3.620 1.00 1.00 H new HETATM 1423 C1C RCY A 173 71.968 -2.227 -6.582 1.00 1.00 C HETATM 1424 O1G RCY A 173 71.773 -7.230 -6.636 1.00 1.00 O HETATM 1425 O1H RCY A 173 70.937 -3.897 -3.397 1.00 1.00 O HETATM 1426 O1J RCY A 173 69.630 -1.034 -8.058 1.00 1.00 O HETATM 1427 C1L RCY A 173 72.221 -7.078 -4.235 1.00 1.00 C HETATM 1428 C1M RCY A 173 69.104 -4.568 -6.664 1.00 1.00 C HETATM 1429 C1P RCY A 173 71.730 -6.572 -5.597 1.00 1.00 C HETATM 1430 C1Q RCY A 173 71.471 -4.790 -4.053 1.00 1.00 C HETATM 1431 N1R RCY A 173 71.181 -5.150 -5.504 1.00 1.00 N HETATM 1432 C1S RCY A 173 72.547 -5.741 -3.561 1.00 1.00 C HETATM 1433 C1U RCY A 173 70.511 -4.297 -6.583 1.00 1.00 C HETATM 1434 C1V RCY A 173 70.126 -2.483 -4.859 1.00 1.00 C HETATM 1435 N1V RCY A 173 69.567 -2.275 -7.292 1.00 1.00 N HETATM 1436 C1W RCY A 173 68.468 -3.336 -7.321 1.00 1.00 C HETATM 1437 C1X RCY A 173 70.581 -2.800 -6.285 1.00 1.00 C HETATM 1438 C1Y RCY A 173 67.250 -2.868 -6.521 1.00 1.00 C HETATM 1439 C1Z RCY A 173 68.083 -3.618 -8.773 1.00 1.00 C HETATM 0 H1ZB RCY A 173 68.973 -3.892 -9.339 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 67.366 -4.438 -8.807 1.00 1.00 H new HETATM 0 H1YB RCY A 173 66.511 -3.668 -6.482 1.00 1.00 H new HETATM 0 H1YA RCY A 173 67.558 -2.609 -5.508 1.00 1.00 H new HETATM 0 H1VB RCY A 173 70.832 -2.912 -4.148 1.00 1.00 H new HETATM 0 H1VA RCY A 173 70.085 -1.402 -4.722 1.00 1.00 H new HETATM 0 H1MA RCY A 173 68.914 -5.465 -7.253 1.00 1.00 H new HETATM 0 H1LA RCY A 173 71.457 -7.641 -3.699 1.00 1.00 H new HETATM 0 H1Z RCY A 173 67.635 -2.726 -9.211 1.00 1.00 H new HETATM 0 H1Y RCY A 173 66.813 -1.993 -7.003 1.00 1.00 H new HETATM 0 H1V RCY A 173 69.137 -2.908 -4.690 1.00 1.00 H new HETATM 0 H1S RCY A 173 73.542 -5.391 -3.837 1.00 1.00 H new HETATM 0 H1M RCY A 173 68.683 -4.742 -5.674 1.00 1.00 H new HETATM 0 H1L RCY A 173 73.093 -7.726 -4.320 1.00 1.00 H new HETATM 1442 C1C RCY A 176 72.323 -0.530 -4.411 1.00 1.00 C HETATM 1443 O1G RCY A 176 71.088 -4.302 -6.671 1.00 1.00 O HETATM 1444 O1H RCY A 176 74.985 -2.010 -5.310 1.00 1.00 O HETATM 1445 O1J RCY A 176 74.991 0.556 -5.291 1.00 1.00 O HETATM 1446 C1L RCY A 176 73.153 -5.017 -5.571 1.00 1.00 C HETATM 1447 C1M RCY A 176 72.782 -0.904 -8.064 1.00 1.00 C HETATM 1448 C1P RCY A 176 72.205 -4.016 -6.244 1.00 1.00 C HETATM 1449 C1Q RCY A 176 74.220 -2.859 -5.763 1.00 1.00 C HETATM 1450 N1R RCY A 176 72.821 -2.620 -6.317 1.00 1.00 N HETATM 1451 C1S RCY A 176 74.498 -4.348 -5.873 1.00 1.00 C HETATM 1452 C1U RCY A 176 72.203 -1.313 -6.816 1.00 1.00 C HETATM 1453 C1V RCY A 176 71.613 1.081 -6.236 1.00 1.00 C HETATM 1454 N1V RCY A 176 73.934 0.140 -6.208 1.00 1.00 N HETATM 1455 C1W RCY A 176 74.049 -0.116 -7.710 1.00 1.00 C HETATM 1456 C1X RCY A 176 72.473 -0.134 -5.882 1.00 1.00 C HETATM 1457 C1Y RCY A 176 74.092 1.208 -8.477 1.00 1.00 C HETATM 1458 C1Z RCY A 176 75.309 -0.938 -7.982 1.00 1.00 C HETATM 0 H1ZB RCY A 176 75.287 -1.847 -7.381 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 75.350 -1.203 -9.039 1.00 1.00 H new HETATM 0 H1YB RCY A 176 74.089 1.008 -9.548 1.00 1.00 H new HETATM 0 H1YA RCY A 176 73.220 1.808 -8.217 1.00 1.00 H new HETATM 0 H1VB RCY A 176 70.564 0.851 -6.050 1.00 1.00 H new HETATM 0 H1VA RCY A 176 71.913 1.930 -5.622 1.00 1.00 H new HETATM 0 H1MA RCY A 176 73.021 -1.768 -8.684 1.00 1.00 H new HETATM 0 H1LA RCY A 176 72.966 -5.115 -4.502 1.00 1.00 H new HETATM 0 H1CB RCY A 176 71.308 -0.884 -4.231 1.00 1.00 H new HETATM 0 H1CA RCY A 176 73.031 -1.324 -4.174 1.00 1.00 H new HETATM 0 H1Z RCY A 176 76.190 -0.351 -7.721 1.00 1.00 H new HETATM 0 H1Y RCY A 176 74.998 1.753 -8.212 1.00 1.00 H new HETATM 0 H1V RCY A 176 71.749 1.329 -7.289 1.00 1.00 H new HETATM 0 H1S RCY A 176 74.857 -4.612 -6.868 1.00 1.00 H new HETATM 0 H1M RCY A 176 72.086 -0.287 -8.632 1.00 1.00 H new HETATM 0 H1L RCY A 176 73.078 -6.016 -6.000 1.00 1.00 H new HETATM 0 H1C RCY A 176 72.523 0.335 -3.779 1.00 1.00 H new HETATM 1461 C1C RCY A 187 77.683 2.568 -4.124 1.00 1.00 C HETATM 1462 O1G RCY A 187 75.865 -1.371 -1.201 1.00 1.00 O HETATM 1463 O1H RCY A 187 79.922 0.309 -2.938 1.00 1.00 O HETATM 1464 O1J RCY A 187 77.192 5.115 -2.594 1.00 1.00 O HETATM 1465 C1L RCY A 187 77.920 -2.440 -1.990 1.00 1.00 C HETATM 1466 C1M RCY A 187 77.129 1.884 -0.530 1.00 1.00 C HETATM 1467 C1P RCY A 187 76.985 -1.260 -1.698 1.00 1.00 C HETATM 1468 C1Q RCY A 187 78.920 -0.378 -2.751 1.00 1.00 C HETATM 1469 N1R RCY A 187 77.617 0.071 -2.102 1.00 1.00 N HETATM 1470 C1S RCY A 187 78.754 -1.840 -3.127 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.087 1.494 -1.910 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.428 2.378 -2.295 1.00 1.00 C HETATM 1473 N1V RCY A 187 77.401 3.812 -1.968 1.00 1.00 N HETATM 1474 C1W RCY A 187 77.126 3.417 -0.519 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.942 2.545 -2.616 1.00 1.00 C HETATM 1476 C1Y RCY A 187 78.228 3.952 0.400 1.00 1.00 C HETATM 1477 C1Z RCY A 187 75.762 3.967 -0.101 1.00 1.00 C HETATM 0 H1ZB RCY A 187 75.001 3.624 -0.802 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 75.518 3.613 0.901 1.00 1.00 H new HETATM 0 H1YB RCY A 187 78.062 3.592 1.415 1.00 1.00 H new HETATM 0 H1YA RCY A 187 79.198 3.604 0.046 1.00 1.00 H new HETATM 0 H1VB RCY A 187 79.788 1.440 -2.717 1.00 1.00 H new HETATM 0 H1VA RCY A 187 79.989 3.208 -2.725 1.00 1.00 H new HETATM 0 H1MA RCY A 187 76.270 1.489 0.013 1.00 1.00 H new HETATM 0 H1LA RCY A 187 78.527 -2.715 -1.127 1.00 1.00 H new HETATM 0 H1CB RCY A 187 77.920 1.593 -4.549 1.00 1.00 H new HETATM 0 H1CA RCY A 187 76.634 2.799 -4.310 1.00 1.00 H new HETATM 0 H1Z RCY A 187 75.793 5.057 -0.103 1.00 1.00 H new HETATM 0 H1Y RCY A 187 78.209 5.042 0.394 1.00 1.00 H new HETATM 0 H1V RCY A 187 79.568 2.367 -1.214 1.00 1.00 H new HETATM 0 H1U RCY A 187 76.076 1.461 -2.315 1.00 1.00 H new HETATM 0 H1S RCY A 187 78.250 -1.947 -4.088 1.00 1.00 H new HETATM 0 H1M RCY A 187 78.022 1.493 -0.042 1.00 1.00 H new HETATM 0 H1L RCY A 187 77.379 -3.335 -2.297 1.00 1.00 H new HETATM 0 H1C RCY A 187 78.310 3.328 -4.589 1.00 1.00 H new