USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=19 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 24 ARG H : A 24 ARG N : A 121 RCY N1V :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1ZB : A 121 RCY C1Z : A 24 ARG CB :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1CB : A 121 RCY C1C : A 22 THR O :(H bumps) USER MOD NoAdj-H: A 121 RCYH1CA : A 121 RCY C1C : A 22 THR O :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VA : A 130 RCY C1V : A 65 THR OG1 :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1M : A 130 RCY C1M : A 62 THR CG2 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZB : A 138 RCY C1Z : A 150 RCY O1J :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZA : A 138 RCY C1Z : A 150 RCY C1W :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Z : A 138 RCY C1Z : A 150 RCY C1W :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Set 1.1: A 41 LYS NZ :NH3+ 164:sc= -1.26 (180deg=-1.9!) USER MOD Set 1.2: A 48 GLN : amide:sc= -29.8! C(o=-31!,f=-49!) USER MOD Set 2.1: A 35 THR OG1 : rot -66:sc= -0.0652 USER MOD Set 2.2: A 37 GLN : amide:sc= -6.87! C(o=-6.9!,f=-18!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 0.215 (180deg=-0.363!) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.204 F(o=-1.5,f=-0.2) USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= -0.0805 (180deg=-0.572) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -9:sc= 0.689 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -123:sc= -0.217 (180deg=-0.653) USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= -0.0118 (180deg=-0.165) USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 34 GLN : amide:sc= -4.07! C(o=-4.1!,f=-5.2!) USER MOD Single : A 39 LYS NZ :NH3+ 137:sc= -3.42! (180deg=-5.89!) USER MOD Single : A 40 SER OG : rot -7:sc= 1.02 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 132:sc= -0.0654 (180deg=-0.775) USER MOD Single : A 57 MET CE :methyl -161:sc= -0.394 (180deg=-1.16) USER MOD Single : A 62 THR OG1 : rot 43:sc= 0.0316 USER MOD Single : A 74 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.5) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.569 F(o=-1.2,f=-0.57) USER MOD Single : A 79 HIS :FLIP no HE2:sc= -1.08 F(o=-4.3!,f=-1.1) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 51.596 6.540 -13.735 1.00 1.00 N ATOM 2 CA MET A 1 51.825 6.404 -12.269 1.00 1.00 C ATOM 3 C MET A 1 51.329 5.035 -11.799 1.00 1.00 C ATOM 4 O MET A 1 50.169 4.858 -11.485 1.00 1.00 O ATOM 5 CB MET A 1 51.060 7.505 -11.530 1.00 1.00 C ATOM 6 CG MET A 1 51.688 8.864 -11.846 1.00 1.00 C ATOM 7 SD MET A 1 51.356 9.295 -13.572 1.00 1.00 S ATOM 8 CE MET A 1 49.773 10.129 -13.298 1.00 1.00 C ATOM 0 H1 MET A 1 51.505 7.547 -13.980 1.00 1.00 H new ATOM 0 H2 MET A 1 52.400 6.129 -14.252 1.00 1.00 H new ATOM 0 H3 MET A 1 50.723 6.039 -13.998 1.00 1.00 H new ATOM 0 HA MET A 1 52.890 6.496 -12.058 1.00 1.00 H new ATOM 0 HB2 MET A 1 50.012 7.498 -11.830 1.00 1.00 H new ATOM 0 HB3 MET A 1 51.085 7.322 -10.456 1.00 1.00 H new ATOM 0 HG2 MET A 1 51.280 9.628 -11.184 1.00 1.00 H new ATOM 0 HG3 MET A 1 52.763 8.830 -11.669 1.00 1.00 H new ATOM 0 HE1 MET A 1 49.379 10.483 -14.250 1.00 1.00 H new ATOM 0 HE2 MET A 1 49.066 9.430 -12.850 1.00 1.00 H new ATOM 0 HE3 MET A 1 49.919 10.976 -12.628 1.00 1.00 H new ATOM 17 N ASN A 2 52.200 4.064 -11.749 1.00 1.00 N ATOM 18 CA ASN A 2 51.777 2.707 -11.300 1.00 1.00 C ATOM 19 C ASN A 2 53.006 1.804 -11.178 1.00 1.00 C ATOM 20 O ASN A 2 52.921 0.682 -10.721 1.00 1.00 O ATOM 21 CB ASN A 2 50.805 2.112 -12.321 1.00 1.00 C ATOM 22 CG ASN A 2 51.409 2.217 -13.723 1.00 1.00 C ATOM 23 OD1 ASN A 2 52.444 1.484 -14.030 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 50.934 2.973 -14.546 1.00 1.00 N flip ATOM 0 H ASN A 2 53.185 4.152 -11.999 1.00 1.00 H new ATOM 0 HA ASN A 2 51.284 2.782 -10.331 1.00 1.00 H new ATOM 0 HB2 ASN A 2 50.600 1.069 -12.079 1.00 1.00 H new ATOM 0 HB3 ASN A 2 49.853 2.641 -12.283 1.00 1.00 H new ATOM 0 HD21 ASN A 2 50.125 3.546 -14.305 1.00 1.00 H new ATOM 0 HD22 ASN A 2 51.344 3.035 -15.478 1.00 1.00 H new ATOM 31 N LEU A 3 54.150 2.284 -11.584 1.00 1.00 N ATOM 32 CA LEU A 3 55.383 1.451 -11.491 1.00 1.00 C ATOM 33 C LEU A 3 55.810 1.339 -10.025 1.00 1.00 C ATOM 34 O LEU A 3 56.844 0.785 -9.710 1.00 1.00 O ATOM 35 CB LEU A 3 56.504 2.107 -12.306 1.00 1.00 C ATOM 36 CG LEU A 3 57.561 1.060 -12.664 1.00 1.00 C ATOM 37 CD1 LEU A 3 57.154 0.343 -13.953 1.00 1.00 C ATOM 38 CD2 LEU A 3 58.911 1.751 -12.870 1.00 1.00 C ATOM 0 H LEU A 3 54.284 3.216 -11.976 1.00 1.00 H new ATOM 0 HA LEU A 3 55.184 0.455 -11.887 1.00 1.00 H new ATOM 0 HB2 LEU A 3 56.095 2.550 -13.214 1.00 1.00 H new ATOM 0 HB3 LEU A 3 56.958 2.915 -11.733 1.00 1.00 H new ATOM 0 HG LEU A 3 57.642 0.334 -11.855 1.00 1.00 H new ATOM 0 HD11 LEU A 3 57.907 -0.403 -14.208 1.00 1.00 H new ATOM 0 HD12 LEU A 3 56.192 -0.148 -13.808 1.00 1.00 H new ATOM 0 HD13 LEU A 3 57.073 1.068 -14.763 1.00 1.00 H new ATOM 0 HD21 LEU A 3 59.665 1.007 -13.125 1.00 1.00 H new ATOM 0 HD22 LEU A 3 58.829 2.476 -13.679 1.00 1.00 H new ATOM 0 HD23 LEU A 3 59.202 2.263 -11.952 1.00 1.00 H new ATOM 50 N GLU A 4 55.020 1.861 -9.127 1.00 1.00 N ATOM 51 CA GLU A 4 55.380 1.785 -7.683 1.00 1.00 C ATOM 52 C GLU A 4 55.622 0.317 -7.295 1.00 1.00 C ATOM 53 O GLU A 4 54.719 -0.493 -7.352 1.00 1.00 O ATOM 54 CB GLU A 4 54.228 2.350 -6.846 1.00 1.00 C ATOM 55 CG GLU A 4 52.894 1.969 -7.491 1.00 1.00 C ATOM 56 CD GLU A 4 51.757 2.217 -6.497 1.00 1.00 C ATOM 57 OE1 GLU A 4 51.755 1.578 -5.458 1.00 1.00 O ATOM 58 OE2 GLU A 4 50.908 3.042 -6.792 1.00 1.00 O ATOM 0 H GLU A 4 54.141 2.337 -9.331 1.00 1.00 H new ATOM 0 HA GLU A 4 56.285 2.364 -7.499 1.00 1.00 H new ATOM 0 HB2 GLU A 4 54.277 1.959 -5.830 1.00 1.00 H new ATOM 0 HB3 GLU A 4 54.313 3.434 -6.775 1.00 1.00 H new ATOM 0 HG2 GLU A 4 52.735 2.556 -8.396 1.00 1.00 H new ATOM 0 HG3 GLU A 4 52.908 0.921 -7.789 1.00 1.00 H new ATOM 65 N PRO A 5 56.826 -0.030 -6.904 1.00 1.00 N ATOM 66 CA PRO A 5 57.161 -1.429 -6.508 1.00 1.00 C ATOM 67 C PRO A 5 56.083 -2.046 -5.605 1.00 1.00 C ATOM 68 O PRO A 5 55.345 -1.342 -4.944 1.00 1.00 O ATOM 69 CB PRO A 5 58.481 -1.278 -5.749 1.00 1.00 C ATOM 70 CG PRO A 5 59.125 -0.065 -6.337 1.00 1.00 C ATOM 71 CD PRO A 5 57.993 0.861 -6.796 1.00 1.00 C ATOM 0 HA PRO A 5 57.228 -2.095 -7.368 1.00 1.00 H new ATOM 0 HB2 PRO A 5 58.310 -1.156 -4.679 1.00 1.00 H new ATOM 0 HB3 PRO A 5 59.111 -2.159 -5.872 1.00 1.00 H new ATOM 0 HG2 PRO A 5 59.756 0.432 -5.601 1.00 1.00 H new ATOM 0 HG3 PRO A 5 59.766 -0.336 -7.176 1.00 1.00 H new ATOM 0 HD2 PRO A 5 57.818 1.663 -6.079 1.00 1.00 H new ATOM 0 HD3 PRO A 5 58.225 1.332 -7.751 1.00 1.00 H new ATOM 79 N PRO A 6 55.994 -3.351 -5.577 1.00 1.00 N ATOM 80 CA PRO A 6 54.989 -4.071 -4.740 1.00 1.00 C ATOM 81 C PRO A 6 55.302 -3.967 -3.243 1.00 1.00 C ATOM 82 O PRO A 6 56.392 -3.599 -2.852 1.00 1.00 O ATOM 83 CB PRO A 6 55.090 -5.525 -5.213 1.00 1.00 C ATOM 84 CG PRO A 6 56.465 -5.658 -5.779 1.00 1.00 C ATOM 85 CD PRO A 6 56.842 -4.284 -6.336 1.00 1.00 C ATOM 0 HA PRO A 6 53.990 -3.649 -4.854 1.00 1.00 H new ATOM 0 HB2 PRO A 6 54.935 -6.219 -4.387 1.00 1.00 H new ATOM 0 HB3 PRO A 6 54.332 -5.748 -5.964 1.00 1.00 H new ATOM 0 HG2 PRO A 6 57.172 -5.972 -5.011 1.00 1.00 H new ATOM 0 HG3 PRO A 6 56.490 -6.414 -6.563 1.00 1.00 H new ATOM 0 HD2 PRO A 6 57.901 -4.070 -6.190 1.00 1.00 H new ATOM 0 HD3 PRO A 6 56.648 -4.220 -7.407 1.00 1.00 H new ATOM 93 N LYS A 7 54.352 -4.288 -2.405 1.00 1.00 N ATOM 94 CA LYS A 7 54.587 -4.210 -0.933 1.00 1.00 C ATOM 95 C LYS A 7 54.021 -5.463 -0.261 1.00 1.00 C ATOM 96 O LYS A 7 53.632 -5.441 0.890 1.00 1.00 O ATOM 97 CB LYS A 7 53.886 -2.971 -0.371 1.00 1.00 C ATOM 98 CG LYS A 7 52.423 -2.964 -0.819 1.00 1.00 C ATOM 99 CD LYS A 7 51.687 -1.807 -0.141 1.00 1.00 C ATOM 100 CE LYS A 7 50.234 -1.775 -0.621 1.00 1.00 C ATOM 101 NZ LYS A 7 49.565 -3.058 -0.263 1.00 1.00 N ATOM 0 H LYS A 7 53.420 -4.602 -2.677 1.00 1.00 H new ATOM 0 HA LYS A 7 55.657 -4.143 -0.738 1.00 1.00 H new ATOM 0 HB2 LYS A 7 53.944 -2.970 0.717 1.00 1.00 H new ATOM 0 HB3 LYS A 7 54.388 -2.068 -0.718 1.00 1.00 H new ATOM 0 HG2 LYS A 7 52.364 -2.861 -1.903 1.00 1.00 H new ATOM 0 HG3 LYS A 7 51.948 -3.911 -0.562 1.00 1.00 H new ATOM 0 HD2 LYS A 7 51.721 -1.925 0.942 1.00 1.00 H new ATOM 0 HD3 LYS A 7 52.179 -0.863 -0.374 1.00 1.00 H new ATOM 0 HE2 LYS A 7 49.707 -0.938 -0.164 1.00 1.00 H new ATOM 0 HE3 LYS A 7 50.199 -1.623 -1.700 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 48.533 -2.930 -0.287 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 49.838 -3.794 -0.945 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 49.856 -3.346 0.693 1.00 1.00 H new ATOM 115 N ALA A 8 53.972 -6.557 -0.972 1.00 1.00 N ATOM 116 CA ALA A 8 53.431 -7.811 -0.375 1.00 1.00 C ATOM 117 C ALA A 8 53.736 -8.987 -1.305 1.00 1.00 C ATOM 118 O ALA A 8 53.201 -10.067 -1.151 1.00 1.00 O ATOM 119 CB ALA A 8 51.917 -7.680 -0.197 1.00 1.00 C ATOM 0 H ALA A 8 54.283 -6.636 -1.940 1.00 1.00 H new ATOM 0 HA ALA A 8 53.896 -7.983 0.596 1.00 1.00 H new ATOM 0 HB1 ALA A 8 51.521 -8.597 0.240 1.00 1.00 H new ATOM 0 HB2 ALA A 8 51.700 -6.840 0.463 1.00 1.00 H new ATOM 0 HB3 ALA A 8 51.450 -7.509 -1.167 1.00 1.00 H new ATOM 125 N GLU A 9 54.591 -8.785 -2.269 1.00 1.00 N ATOM 126 CA GLU A 9 54.930 -9.891 -3.209 1.00 1.00 C ATOM 127 C GLU A 9 55.802 -10.923 -2.491 1.00 1.00 C ATOM 128 O GLU A 9 56.034 -12.007 -2.989 1.00 1.00 O ATOM 129 CB GLU A 9 55.693 -9.322 -4.408 1.00 1.00 C ATOM 130 CG GLU A 9 56.133 -10.466 -5.323 1.00 1.00 C ATOM 131 CD GLU A 9 56.534 -9.903 -6.688 1.00 1.00 C ATOM 132 OE1 GLU A 9 57.621 -9.359 -6.787 1.00 1.00 O ATOM 133 OE2 GLU A 9 55.746 -10.027 -7.612 1.00 1.00 O ATOM 0 H GLU A 9 55.070 -7.902 -2.447 1.00 1.00 H new ATOM 0 HA GLU A 9 54.014 -10.370 -3.554 1.00 1.00 H new ATOM 0 HB2 GLU A 9 55.060 -8.625 -4.958 1.00 1.00 H new ATOM 0 HB3 GLU A 9 56.563 -8.761 -4.066 1.00 1.00 H new ATOM 0 HG2 GLU A 9 56.972 -11.000 -4.877 1.00 1.00 H new ATOM 0 HG3 GLU A 9 55.323 -11.186 -5.439 1.00 1.00 H new ATOM 140 N CYS A 10 56.287 -10.597 -1.324 1.00 1.00 N ATOM 141 CA CYS A 10 57.143 -11.561 -0.576 1.00 1.00 C ATOM 142 C CYS A 10 57.084 -11.241 0.919 1.00 1.00 C ATOM 143 O CYS A 10 57.801 -10.392 1.411 1.00 1.00 O ATOM 144 CB CYS A 10 58.588 -11.446 -1.066 1.00 1.00 C ATOM 145 SG CYS A 10 59.608 -12.686 -0.230 1.00 1.00 S ATOM 0 H CYS A 10 56.127 -9.705 -0.856 1.00 1.00 H new ATOM 0 HA CYS A 10 56.782 -12.575 -0.745 1.00 1.00 H new ATOM 0 HB2 CYS A 10 58.630 -11.592 -2.145 1.00 1.00 H new ATOM 0 HB3 CYS A 10 58.973 -10.446 -0.865 1.00 1.00 H new ATOM 150 N ARG A 11 56.236 -11.916 1.645 1.00 1.00 N ATOM 151 CA ARG A 11 56.129 -11.654 3.108 1.00 1.00 C ATOM 152 C ARG A 11 57.253 -12.398 3.836 1.00 1.00 C ATOM 153 O ARG A 11 57.312 -12.422 5.049 1.00 1.00 O ATOM 154 CB ARG A 11 54.764 -12.146 3.613 1.00 1.00 C ATOM 155 CG ARG A 11 54.195 -11.141 4.616 1.00 1.00 C ATOM 156 CD ARG A 11 55.090 -11.093 5.856 1.00 1.00 C ATOM 157 NE ARG A 11 54.391 -10.357 6.946 1.00 1.00 N ATOM 158 CZ ARG A 11 54.342 -9.053 6.926 1.00 1.00 C ATOM 159 NH1 ARG A 11 54.906 -8.394 5.952 1.00 1.00 N ATOM 160 NH2 ARG A 11 53.729 -8.409 7.881 1.00 1.00 N ATOM 0 H ARG A 11 55.611 -12.639 1.288 1.00 1.00 H new ATOM 0 HA ARG A 11 56.219 -10.585 3.302 1.00 1.00 H new ATOM 0 HB2 ARG A 11 54.077 -12.267 2.775 1.00 1.00 H new ATOM 0 HB3 ARG A 11 54.870 -13.124 4.083 1.00 1.00 H new ATOM 0 HG2 ARG A 11 54.133 -10.153 4.161 1.00 1.00 H new ATOM 0 HG3 ARG A 11 53.181 -11.426 4.897 1.00 1.00 H new ATOM 0 HD2 ARG A 11 55.331 -12.105 6.183 1.00 1.00 H new ATOM 0 HD3 ARG A 11 56.033 -10.601 5.618 1.00 1.00 H new ATOM 0 HE ARG A 11 53.951 -10.872 7.708 1.00 1.00 H new ATOM 0 HH11 ARG A 11 55.385 -8.898 5.206 1.00 1.00 H new ATOM 0 HH12 ARG A 11 54.868 -7.375 5.936 1.00 1.00 H new ATOM 0 HH21 ARG A 11 53.288 -8.925 8.643 1.00 1.00 H new ATOM 0 HH22 ARG A 11 53.690 -7.390 7.866 1.00 1.00 H new ATOM 174 N SER A 12 58.143 -13.006 3.102 1.00 1.00 N ATOM 175 CA SER A 12 59.264 -13.750 3.744 1.00 1.00 C ATOM 176 C SER A 12 58.734 -15.055 4.344 1.00 1.00 C ATOM 177 O SER A 12 57.805 -15.652 3.835 1.00 1.00 O ATOM 178 CB SER A 12 59.886 -12.889 4.847 1.00 1.00 C ATOM 179 OG SER A 12 61.276 -13.172 4.933 1.00 1.00 O ATOM 0 H SER A 12 58.143 -13.020 2.082 1.00 1.00 H new ATOM 0 HA SER A 12 60.023 -13.979 2.996 1.00 1.00 H new ATOM 0 HB2 SER A 12 59.731 -11.832 4.631 1.00 1.00 H new ATOM 0 HB3 SER A 12 59.401 -13.094 5.802 1.00 1.00 H new ATOM 0 HG SER A 12 61.679 -12.622 5.637 1.00 1.00 H new ATOM 185 N ALA A 13 59.317 -15.504 5.422 1.00 1.00 N ATOM 186 CA ALA A 13 58.847 -16.769 6.054 1.00 1.00 C ATOM 187 C ALA A 13 59.229 -16.769 7.535 1.00 1.00 C ATOM 188 O ALA A 13 59.131 -17.773 8.212 1.00 1.00 O ATOM 189 CB ALA A 13 59.506 -17.962 5.357 1.00 1.00 C ATOM 0 H ALA A 13 60.099 -15.049 5.893 1.00 1.00 H new ATOM 0 HA ALA A 13 57.764 -16.845 5.957 1.00 1.00 H new ATOM 0 HB1 ALA A 13 59.163 -18.888 5.818 1.00 1.00 H new ATOM 0 HB2 ALA A 13 59.236 -17.961 4.301 1.00 1.00 H new ATOM 0 HB3 ALA A 13 60.589 -17.888 5.455 1.00 1.00 H new ATOM 195 N THR A 14 59.664 -15.649 8.043 1.00 1.00 N ATOM 196 CA THR A 14 60.053 -15.582 9.479 1.00 1.00 C ATOM 197 C THR A 14 60.310 -14.124 9.867 1.00 1.00 C ATOM 198 O THR A 14 60.545 -13.809 11.017 1.00 1.00 O ATOM 199 CB THR A 14 61.325 -16.403 9.703 1.00 1.00 C ATOM 200 OG1 THR A 14 61.825 -16.151 11.009 1.00 1.00 O ATOM 201 CG2 THR A 14 62.378 -16.009 8.666 1.00 1.00 C ATOM 0 H THR A 14 59.767 -14.777 7.525 1.00 1.00 H new ATOM 0 HA THR A 14 59.249 -15.986 10.094 1.00 1.00 H new ATOM 0 HB THR A 14 61.097 -17.464 9.600 1.00 1.00 H new ATOM 0 HG1 THR A 14 61.334 -15.403 11.408 1.00 1.00 H new ATOM 0 HG21 THR A 14 63.283 -16.594 8.826 1.00 1.00 H new ATOM 0 HG22 THR A 14 61.993 -16.203 7.665 1.00 1.00 H new ATOM 0 HG23 THR A 14 62.609 -14.949 8.767 1.00 1.00 H new ATOM 209 N ARG A 15 60.267 -13.233 8.915 1.00 1.00 N ATOM 210 CA ARG A 15 60.507 -11.796 9.227 1.00 1.00 C ATOM 211 C ARG A 15 61.837 -11.650 9.970 1.00 1.00 C ATOM 212 O ARG A 15 61.872 -11.387 11.156 1.00 1.00 O ATOM 213 CB ARG A 15 59.371 -11.267 10.105 1.00 1.00 C ATOM 214 CG ARG A 15 59.408 -9.738 10.123 1.00 1.00 C ATOM 215 CD ARG A 15 58.198 -9.206 10.894 1.00 1.00 C ATOM 216 NE ARG A 15 56.950 -9.775 10.312 1.00 1.00 N ATOM 217 CZ ARG A 15 55.839 -9.746 10.996 1.00 1.00 C ATOM 218 NH1 ARG A 15 55.821 -9.218 12.190 1.00 1.00 N ATOM 219 NH2 ARG A 15 54.746 -10.244 10.487 1.00 1.00 N ATOM 0 H ARG A 15 60.076 -13.438 7.934 1.00 1.00 H new ATOM 0 HA ARG A 15 60.545 -11.225 8.299 1.00 1.00 H new ATOM 0 HB2 ARG A 15 58.411 -11.613 9.723 1.00 1.00 H new ATOM 0 HB3 ARG A 15 59.470 -11.655 11.119 1.00 1.00 H new ATOM 0 HG2 ARG A 15 60.330 -9.392 10.589 1.00 1.00 H new ATOM 0 HG3 ARG A 15 59.401 -9.352 9.104 1.00 1.00 H new ATOM 0 HD2 ARG A 15 58.277 -9.476 11.947 1.00 1.00 H new ATOM 0 HD3 ARG A 15 58.172 -8.117 10.845 1.00 1.00 H new ATOM 0 HE ARG A 15 56.964 -10.187 9.379 1.00 1.00 H new ATOM 0 HH11 ARG A 15 56.675 -8.828 12.588 1.00 1.00 H new ATOM 0 HH12 ARG A 15 54.953 -9.195 12.725 1.00 1.00 H new ATOM 0 HH21 ARG A 15 54.760 -10.656 9.554 1.00 1.00 H new ATOM 0 HH22 ARG A 15 53.878 -10.221 11.022 1.00 1.00 H new ATOM 233 N VAL A 16 62.933 -11.817 9.281 1.00 1.00 N ATOM 234 CA VAL A 16 64.259 -11.686 9.947 1.00 1.00 C ATOM 235 C VAL A 16 64.334 -10.343 10.676 1.00 1.00 C ATOM 236 O VAL A 16 63.592 -9.426 10.384 1.00 1.00 O ATOM 237 CB VAL A 16 65.367 -11.759 8.895 1.00 1.00 C ATOM 238 CG1 VAL A 16 66.723 -11.528 9.564 1.00 1.00 C ATOM 239 CG2 VAL A 16 65.353 -13.140 8.237 1.00 1.00 C ATOM 0 H VAL A 16 62.967 -12.038 8.286 1.00 1.00 H new ATOM 0 HA VAL A 16 64.386 -12.496 10.665 1.00 1.00 H new ATOM 0 HB VAL A 16 65.200 -10.992 8.138 1.00 1.00 H new ATOM 0 HG11 VAL A 16 67.512 -11.580 8.814 1.00 1.00 H new ATOM 0 HG12 VAL A 16 66.734 -10.545 10.034 1.00 1.00 H new ATOM 0 HG13 VAL A 16 66.891 -12.294 10.321 1.00 1.00 H new ATOM 0 HG21 VAL A 16 66.142 -13.194 7.487 1.00 1.00 H new ATOM 0 HG22 VAL A 16 65.520 -13.906 8.995 1.00 1.00 H new ATOM 0 HG23 VAL A 16 64.387 -13.306 7.760 1.00 1.00 H new ATOM 249 N MET A 17 65.223 -10.219 11.623 1.00 1.00 N ATOM 250 CA MET A 17 65.343 -8.934 12.369 1.00 1.00 C ATOM 251 C MET A 17 65.438 -7.774 11.377 1.00 1.00 C ATOM 252 O MET A 17 66.484 -7.502 10.822 1.00 1.00 O ATOM 253 CB MET A 17 66.601 -8.965 13.239 1.00 1.00 C ATOM 254 CG MET A 17 66.405 -9.961 14.384 1.00 1.00 C ATOM 255 SD MET A 17 65.234 -9.278 15.583 1.00 1.00 S ATOM 256 CE MET A 17 65.040 -10.772 16.586 1.00 1.00 C ATOM 0 H MET A 17 65.871 -10.951 11.912 1.00 1.00 H new ATOM 0 HA MET A 17 64.466 -8.799 13.002 1.00 1.00 H new ATOM 0 HB2 MET A 17 67.465 -9.250 12.638 1.00 1.00 H new ATOM 0 HB3 MET A 17 66.805 -7.971 13.638 1.00 1.00 H new ATOM 0 HG2 MET A 17 66.033 -10.909 13.996 1.00 1.00 H new ATOM 0 HG3 MET A 17 67.359 -10.167 14.868 1.00 1.00 H new ATOM 0 HE1 MET A 17 64.345 -10.575 17.402 1.00 1.00 H new ATOM 0 HE2 MET A 17 64.651 -11.579 15.965 1.00 1.00 H new ATOM 0 HE3 MET A 17 66.007 -11.063 16.996 1.00 1.00 H new ATOM 266 N GLY A 18 64.352 -7.086 11.148 1.00 1.00 N ATOM 267 CA GLY A 18 64.380 -5.943 10.192 1.00 1.00 C ATOM 268 C GLY A 18 62.948 -5.546 9.829 1.00 1.00 C ATOM 269 O GLY A 18 62.690 -5.030 8.760 1.00 1.00 O ATOM 0 H GLY A 18 63.447 -7.266 11.582 1.00 1.00 H new ATOM 0 HA2 GLY A 18 64.902 -5.096 10.637 1.00 1.00 H new ATOM 0 HA3 GLY A 18 64.931 -6.220 9.293 1.00 1.00 H new ATOM 273 N GLY A 19 62.015 -5.781 10.710 1.00 1.00 N ATOM 274 CA GLY A 19 60.601 -5.416 10.412 1.00 1.00 C ATOM 275 C GLY A 19 60.479 -3.895 10.286 1.00 1.00 C ATOM 276 O GLY A 19 60.317 -3.367 9.203 1.00 1.00 O ATOM 0 H GLY A 19 62.170 -6.210 11.623 1.00 1.00 H new ATOM 0 HA2 GLY A 19 60.278 -5.895 9.487 1.00 1.00 H new ATOM 0 HA3 GLY A 19 59.946 -5.779 11.204 1.00 1.00 H new ATOM 280 N PRO A 20 60.559 -3.196 11.387 1.00 1.00 N ATOM 281 CA PRO A 20 60.459 -1.710 11.407 1.00 1.00 C ATOM 282 C PRO A 20 61.250 -1.060 10.267 1.00 1.00 C ATOM 283 O PRO A 20 60.983 0.058 9.872 1.00 1.00 O ATOM 284 CB PRO A 20 61.057 -1.333 12.763 1.00 1.00 C ATOM 285 CG PRO A 20 60.797 -2.511 13.644 1.00 1.00 C ATOM 286 CD PRO A 20 60.756 -3.746 12.738 1.00 1.00 C ATOM 0 HA PRO A 20 59.434 -1.366 11.271 1.00 1.00 H new ATOM 0 HB2 PRO A 20 62.125 -1.131 12.680 1.00 1.00 H new ATOM 0 HB3 PRO A 20 60.592 -0.432 13.162 1.00 1.00 H new ATOM 0 HG2 PRO A 20 61.579 -2.610 14.396 1.00 1.00 H new ATOM 0 HG3 PRO A 20 59.854 -2.393 14.178 1.00 1.00 H new ATOM 0 HD2 PRO A 20 61.681 -4.319 12.804 1.00 1.00 H new ATOM 0 HD3 PRO A 20 59.944 -4.418 13.017 1.00 1.00 H new ATOM 294 N CYS A 21 62.222 -1.750 9.735 1.00 1.00 N ATOM 295 CA CYS A 21 63.027 -1.170 8.624 1.00 1.00 C ATOM 296 C CYS A 21 62.171 -1.098 7.357 1.00 1.00 C ATOM 297 O CYS A 21 61.841 -2.104 6.761 1.00 1.00 O ATOM 298 CB CYS A 21 64.250 -2.052 8.364 1.00 1.00 C ATOM 299 SG CYS A 21 65.473 -1.120 7.409 1.00 1.00 S ATOM 0 H CYS A 21 62.493 -2.690 10.022 1.00 1.00 H new ATOM 0 HA CYS A 21 63.355 -0.167 8.899 1.00 1.00 H new ATOM 0 HB2 CYS A 21 64.683 -2.379 9.309 1.00 1.00 H new ATOM 0 HB3 CYS A 21 63.955 -2.950 7.820 1.00 1.00 H new ATOM 304 N THR A 22 61.809 0.087 6.942 1.00 1.00 N ATOM 305 CA THR A 22 60.975 0.229 5.713 1.00 1.00 C ATOM 306 C THR A 22 61.421 1.478 4.944 1.00 1.00 C ATOM 307 O THR A 22 61.915 2.423 5.527 1.00 1.00 O ATOM 308 CB THR A 22 59.504 0.377 6.116 1.00 1.00 C ATOM 309 OG1 THR A 22 59.407 1.243 7.238 1.00 1.00 O ATOM 310 CG2 THR A 22 58.931 -0.995 6.477 1.00 1.00 C ATOM 0 H THR A 22 62.055 0.964 7.402 1.00 1.00 H new ATOM 0 HA THR A 22 61.094 -0.652 5.082 1.00 1.00 H new ATOM 0 HB THR A 22 58.939 0.796 5.283 1.00 1.00 H new ATOM 0 HG1 THR A 22 58.467 1.340 7.496 1.00 1.00 H new ATOM 0 HG21 THR A 22 57.885 -0.888 6.763 1.00 1.00 H new ATOM 0 HG22 THR A 22 59.006 -1.659 5.615 1.00 1.00 H new ATOM 0 HG23 THR A 22 59.494 -1.417 7.310 1.00 1.00 H new ATOM 318 N PRO A 23 61.248 1.489 3.646 1.00 1.00 N ATOM 319 CA PRO A 23 61.639 2.647 2.798 1.00 1.00 C ATOM 320 C PRO A 23 61.314 3.987 3.468 1.00 1.00 C ATOM 321 O PRO A 23 60.198 4.229 3.881 1.00 1.00 O ATOM 322 CB PRO A 23 60.801 2.456 1.534 1.00 1.00 C ATOM 323 CG PRO A 23 60.603 0.979 1.421 1.00 1.00 C ATOM 324 CD PRO A 23 60.659 0.405 2.842 1.00 1.00 C ATOM 0 HA PRO A 23 62.712 2.678 2.609 1.00 1.00 H new ATOM 0 HB2 PRO A 23 59.847 2.977 1.610 1.00 1.00 H new ATOM 0 HB3 PRO A 23 61.312 2.854 0.657 1.00 1.00 H new ATOM 0 HG2 PRO A 23 59.645 0.754 0.952 1.00 1.00 H new ATOM 0 HG3 PRO A 23 61.376 0.534 0.795 1.00 1.00 H new ATOM 0 HD2 PRO A 23 59.666 0.136 3.202 1.00 1.00 H new ATOM 0 HD3 PRO A 23 61.268 -0.498 2.883 1.00 1.00 H new ATOM 332 N ARG A 24 62.284 4.856 3.583 1.00 1.00 N ATOM 333 CA ARG A 24 62.036 6.178 4.230 1.00 1.00 C ATOM 334 C ARG A 24 62.732 7.279 3.427 1.00 1.00 C ATOM 335 O ARG A 24 63.808 7.089 2.897 1.00 1.00 O ATOM 336 CB ARG A 24 62.593 6.156 5.657 1.00 1.00 C ATOM 337 CG ARG A 24 61.628 5.401 6.573 1.00 1.00 C ATOM 338 CD ARG A 24 60.592 6.375 7.137 1.00 1.00 C ATOM 339 NE ARG A 24 61.178 7.110 8.293 1.00 1.00 N ATOM 340 CZ ARG A 24 60.486 8.038 8.895 1.00 1.00 C ATOM 341 NH1 ARG A 24 59.280 8.323 8.485 1.00 1.00 N ATOM 342 NH2 ARG A 24 61.000 8.682 9.907 1.00 1.00 N ATOM 0 HA ARG A 24 60.964 6.375 4.259 1.00 1.00 H new ATOM 0 HB2 ARG A 24 63.572 5.676 5.669 1.00 1.00 H new ATOM 0 HB3 ARG A 24 62.733 7.174 6.019 1.00 1.00 H new ATOM 0 HG2 ARG A 24 61.131 4.605 6.018 1.00 1.00 H new ATOM 0 HG3 ARG A 24 62.178 4.927 7.386 1.00 1.00 H new ATOM 0 HD2 ARG A 24 60.281 7.079 6.365 1.00 1.00 H new ATOM 0 HD3 ARG A 24 59.701 5.832 7.452 1.00 1.00 H new ATOM 0 HE ARG A 24 62.120 6.888 8.614 1.00 1.00 H new ATOM 0 HH11 ARG A 24 58.878 7.820 7.694 1.00 1.00 H new ATOM 0 HH12 ARG A 24 58.739 9.049 8.956 1.00 1.00 H new ATOM 0 HH21 ARG A 24 61.943 8.460 10.227 1.00 1.00 H new ATOM 0 HH22 ARG A 24 60.459 9.407 10.378 1.00 1.00 H new ATOM 356 N LYS A 25 62.124 8.429 3.334 1.00 1.00 N ATOM 357 CA LYS A 25 62.747 9.544 2.567 1.00 1.00 C ATOM 358 C LYS A 25 64.202 9.718 3.008 1.00 1.00 C ATOM 359 O LYS A 25 65.123 9.422 2.272 1.00 1.00 O ATOM 360 CB LYS A 25 61.975 10.838 2.833 1.00 1.00 C ATOM 361 CG LYS A 25 60.529 10.678 2.358 1.00 1.00 C ATOM 362 CD LYS A 25 59.665 11.780 2.973 1.00 1.00 C ATOM 363 CE LYS A 25 60.220 13.148 2.573 1.00 1.00 C ATOM 364 NZ LYS A 25 59.176 14.190 2.785 1.00 1.00 N ATOM 0 H LYS A 25 61.221 8.645 3.757 1.00 1.00 H new ATOM 0 HA LYS A 25 62.716 9.314 1.502 1.00 1.00 H new ATOM 0 HB2 LYS A 25 61.995 11.074 3.897 1.00 1.00 H new ATOM 0 HB3 LYS A 25 62.450 11.670 2.313 1.00 1.00 H new ATOM 0 HG2 LYS A 25 60.484 10.731 1.270 1.00 1.00 H new ATOM 0 HG3 LYS A 25 60.147 9.699 2.646 1.00 1.00 H new ATOM 0 HD2 LYS A 25 58.634 11.681 2.633 1.00 1.00 H new ATOM 0 HD3 LYS A 25 59.653 11.684 4.059 1.00 1.00 H new ATOM 0 HE2 LYS A 25 61.106 13.380 3.165 1.00 1.00 H new ATOM 0 HE3 LYS A 25 60.529 13.135 1.528 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 59.554 15.120 2.513 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 58.343 13.971 2.202 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 58.902 14.208 3.788 1.00 1.00 H new ATOM 378 N GLY A 26 64.417 10.197 4.203 1.00 1.00 N ATOM 379 CA GLY A 26 65.812 10.391 4.689 1.00 1.00 C ATOM 380 C GLY A 26 66.477 11.515 3.892 1.00 1.00 C ATOM 381 O GLY A 26 65.886 12.084 2.996 1.00 1.00 O ATOM 0 H GLY A 26 63.687 10.462 4.864 1.00 1.00 H new ATOM 0 HA2 GLY A 26 65.808 10.637 5.751 1.00 1.00 H new ATOM 0 HA3 GLY A 26 66.379 9.467 4.578 1.00 1.00 H new ATOM 385 N PRO A 27 67.702 11.833 4.219 1.00 1.00 N ATOM 386 CA PRO A 27 68.467 12.910 3.525 1.00 1.00 C ATOM 387 C PRO A 27 68.411 12.764 1.997 1.00 1.00 C ATOM 388 O PRO A 27 68.170 11.690 1.483 1.00 1.00 O ATOM 389 CB PRO A 27 69.901 12.722 4.030 1.00 1.00 C ATOM 390 CG PRO A 27 69.767 12.043 5.353 1.00 1.00 C ATOM 391 CD PRO A 27 68.492 11.201 5.288 1.00 1.00 C ATOM 0 HA PRO A 27 68.060 13.899 3.736 1.00 1.00 H new ATOM 0 HB2 PRO A 27 70.487 12.119 3.336 1.00 1.00 H new ATOM 0 HB3 PRO A 27 70.412 13.680 4.129 1.00 1.00 H new ATOM 0 HG2 PRO A 27 70.635 11.416 5.556 1.00 1.00 H new ATOM 0 HG3 PRO A 27 69.707 12.774 6.159 1.00 1.00 H new ATOM 0 HD2 PRO A 27 68.713 10.159 5.058 1.00 1.00 H new ATOM 0 HD3 PRO A 27 67.958 11.211 6.238 1.00 1.00 H new ATOM 399 N PRO A 28 68.636 13.834 1.278 1.00 1.00 N ATOM 400 CA PRO A 28 68.616 13.818 -0.211 1.00 1.00 C ATOM 401 C PRO A 28 69.310 12.577 -0.783 1.00 1.00 C ATOM 402 O PRO A 28 70.023 11.879 -0.090 1.00 1.00 O ATOM 403 CB PRO A 28 69.378 15.088 -0.591 1.00 1.00 C ATOM 404 CG PRO A 28 69.164 16.029 0.550 1.00 1.00 C ATOM 405 CD PRO A 28 68.937 15.176 1.803 1.00 1.00 C ATOM 0 HA PRO A 28 67.602 13.785 -0.609 1.00 1.00 H new ATOM 0 HB2 PRO A 28 70.438 14.882 -0.738 1.00 1.00 H new ATOM 0 HB3 PRO A 28 69.002 15.508 -1.524 1.00 1.00 H new ATOM 0 HG2 PRO A 28 70.028 16.680 0.679 1.00 1.00 H new ATOM 0 HG3 PRO A 28 68.305 16.673 0.362 1.00 1.00 H new ATOM 0 HD2 PRO A 28 69.820 15.165 2.442 1.00 1.00 H new ATOM 0 HD3 PRO A 28 68.114 15.562 2.404 1.00 1.00 H new ATOM 413 N LYS A 29 69.105 12.296 -2.042 1.00 1.00 N ATOM 414 CA LYS A 29 69.752 11.100 -2.656 1.00 1.00 C ATOM 415 C LYS A 29 71.228 11.048 -2.252 1.00 1.00 C ATOM 416 O LYS A 29 71.868 10.018 -2.337 1.00 1.00 O ATOM 417 CB LYS A 29 69.643 11.185 -4.183 1.00 1.00 C ATOM 418 CG LYS A 29 69.945 12.612 -4.644 1.00 1.00 C ATOM 419 CD LYS A 29 68.644 13.302 -5.058 1.00 1.00 C ATOM 420 CE LYS A 29 68.940 14.743 -5.477 1.00 1.00 C ATOM 421 NZ LYS A 29 69.423 15.514 -4.297 1.00 1.00 N ATOM 0 H LYS A 29 68.518 12.843 -2.672 1.00 1.00 H new ATOM 0 HA LYS A 29 69.249 10.199 -2.305 1.00 1.00 H new ATOM 0 HB2 LYS A 29 70.341 10.488 -4.646 1.00 1.00 H new ATOM 0 HB3 LYS A 29 68.642 10.894 -4.502 1.00 1.00 H new ATOM 0 HG2 LYS A 29 70.425 13.171 -3.841 1.00 1.00 H new ATOM 0 HG3 LYS A 29 70.642 12.595 -5.482 1.00 1.00 H new ATOM 0 HD2 LYS A 29 68.180 12.761 -5.882 1.00 1.00 H new ATOM 0 HD3 LYS A 29 67.935 13.291 -4.230 1.00 1.00 H new ATOM 0 HE2 LYS A 29 69.692 14.756 -6.266 1.00 1.00 H new ATOM 0 HE3 LYS A 29 68.042 15.206 -5.885 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 68.810 16.341 -4.148 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 69.399 14.908 -3.452 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 70.398 15.833 -4.466 1.00 1.00 H new ATOM 435 N CYS A 30 71.774 12.149 -1.813 1.00 1.00 N ATOM 436 CA CYS A 30 73.208 12.158 -1.404 1.00 1.00 C ATOM 437 C CYS A 30 73.452 13.312 -0.430 1.00 1.00 C ATOM 438 O CYS A 30 72.618 14.178 -0.257 1.00 1.00 O ATOM 439 CB CYS A 30 74.090 12.338 -2.641 1.00 1.00 C ATOM 440 SG CYS A 30 73.474 13.728 -3.624 1.00 1.00 S ATOM 0 H CYS A 30 71.290 13.042 -1.720 1.00 1.00 H new ATOM 0 HA CYS A 30 73.454 11.214 -0.918 1.00 1.00 H new ATOM 0 HB2 CYS A 30 75.122 12.520 -2.342 1.00 1.00 H new ATOM 0 HB3 CYS A 30 74.087 11.426 -3.239 1.00 1.00 H new ATOM 445 N LYS A 31 74.590 13.332 0.210 1.00 1.00 N ATOM 446 CA LYS A 31 74.885 14.426 1.170 1.00 1.00 C ATOM 447 C LYS A 31 76.405 14.537 1.352 1.00 1.00 C ATOM 448 O LYS A 31 76.937 14.280 2.414 1.00 1.00 O ATOM 449 CB LYS A 31 74.202 14.114 2.514 1.00 1.00 C ATOM 450 CG LYS A 31 73.516 15.374 3.045 1.00 1.00 C ATOM 451 CD LYS A 31 74.571 16.435 3.365 1.00 1.00 C ATOM 452 CE LYS A 31 75.056 16.255 4.805 1.00 1.00 C ATOM 453 NZ LYS A 31 74.023 16.775 5.745 1.00 1.00 N ATOM 0 H LYS A 31 75.327 12.635 0.107 1.00 1.00 H new ATOM 0 HA LYS A 31 74.504 15.375 0.792 1.00 1.00 H new ATOM 0 HB2 LYS A 31 73.471 13.316 2.385 1.00 1.00 H new ATOM 0 HB3 LYS A 31 74.939 13.758 3.234 1.00 1.00 H new ATOM 0 HG2 LYS A 31 72.813 15.757 2.305 1.00 1.00 H new ATOM 0 HG3 LYS A 31 72.940 15.137 3.940 1.00 1.00 H new ATOM 0 HD2 LYS A 31 75.410 16.349 2.674 1.00 1.00 H new ATOM 0 HD3 LYS A 31 74.151 17.432 3.234 1.00 1.00 H new ATOM 0 HE2 LYS A 31 75.249 15.201 5.006 1.00 1.00 H new ATOM 0 HE3 LYS A 31 75.997 16.785 4.952 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 74.464 16.987 6.663 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 73.603 17.642 5.354 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 73.280 16.059 5.875 1.00 1.00 H new ATOM 467 N GLN A 32 77.106 14.923 0.320 1.00 1.00 N ATOM 468 CA GLN A 32 78.588 15.055 0.425 1.00 1.00 C ATOM 469 C GLN A 32 79.194 13.721 0.865 1.00 1.00 C ATOM 470 O GLN A 32 78.998 13.276 1.979 1.00 1.00 O ATOM 471 CB GLN A 32 78.935 16.138 1.450 1.00 1.00 C ATOM 472 CG GLN A 32 78.111 17.395 1.165 1.00 1.00 C ATOM 473 CD GLN A 32 78.409 18.453 2.230 1.00 1.00 C ATOM 474 OE1 GLN A 32 79.106 18.124 3.282 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 78.002 19.591 2.102 1.00 1.00 N flip ATOM 0 H GLN A 32 76.715 15.153 -0.594 1.00 1.00 H new ATOM 0 HA GLN A 32 78.995 15.333 -0.547 1.00 1.00 H new ATOM 0 HB2 GLN A 32 78.731 15.778 2.458 1.00 1.00 H new ATOM 0 HB3 GLN A 32 79.999 16.370 1.404 1.00 1.00 H new ATOM 0 HG2 GLN A 32 78.350 17.783 0.175 1.00 1.00 H new ATOM 0 HG3 GLN A 32 77.048 17.154 1.164 1.00 1.00 H new ATOM 0 HE21 GLN A 32 77.457 19.848 1.279 1.00 1.00 H new ATOM 0 HE22 GLN A 32 78.206 20.289 2.817 1.00 1.00 H new ATOM 484 N ARG A 33 79.933 13.080 -0.003 1.00 1.00 N ATOM 485 CA ARG A 33 80.558 11.772 0.355 1.00 1.00 C ATOM 486 C ARG A 33 82.081 11.917 0.351 1.00 1.00 C ATOM 487 O ARG A 33 82.706 11.980 -0.690 1.00 1.00 O ATOM 488 CB ARG A 33 80.144 10.715 -0.671 1.00 1.00 C ATOM 489 CG ARG A 33 78.665 10.371 -0.481 1.00 1.00 C ATOM 490 CD ARG A 33 78.181 9.529 -1.663 1.00 1.00 C ATOM 491 NE ARG A 33 78.759 8.159 -1.567 1.00 1.00 N ATOM 492 CZ ARG A 33 79.904 7.893 -2.134 1.00 1.00 C ATOM 493 NH1 ARG A 33 80.542 8.827 -2.785 1.00 1.00 N ATOM 494 NH2 ARG A 33 80.410 6.694 -2.051 1.00 1.00 N ATOM 0 H ARG A 33 80.131 13.408 -0.948 1.00 1.00 H new ATOM 0 HA ARG A 33 80.225 11.468 1.347 1.00 1.00 H new ATOM 0 HB2 ARG A 33 80.315 11.087 -1.681 1.00 1.00 H new ATOM 0 HB3 ARG A 33 80.755 9.820 -0.553 1.00 1.00 H new ATOM 0 HG2 ARG A 33 78.525 9.823 0.451 1.00 1.00 H new ATOM 0 HG3 ARG A 33 78.075 11.284 -0.406 1.00 1.00 H new ATOM 0 HD2 ARG A 33 77.092 9.477 -1.664 1.00 1.00 H new ATOM 0 HD3 ARG A 33 78.479 9.996 -2.602 1.00 1.00 H new ATOM 0 HE ARG A 33 78.260 7.429 -1.058 1.00 1.00 H new ATOM 0 HH11 ARG A 33 80.146 9.765 -2.851 1.00 1.00 H new ATOM 0 HH12 ARG A 33 81.437 8.619 -3.228 1.00 1.00 H new ATOM 0 HH21 ARG A 33 79.911 5.964 -1.543 1.00 1.00 H new ATOM 0 HH22 ARG A 33 81.305 6.486 -2.494 1.00 1.00 H new ATOM 508 N GLN A 34 82.685 11.969 1.507 1.00 1.00 N ATOM 509 CA GLN A 34 84.168 12.108 1.570 1.00 1.00 C ATOM 510 C GLN A 34 84.816 10.733 1.400 1.00 1.00 C ATOM 511 O GLN A 34 84.421 9.768 2.024 1.00 1.00 O ATOM 512 CB GLN A 34 84.568 12.696 2.925 1.00 1.00 C ATOM 513 CG GLN A 34 83.824 14.014 3.151 1.00 1.00 C ATOM 514 CD GLN A 34 82.377 13.721 3.554 1.00 1.00 C ATOM 515 OE1 GLN A 34 81.475 13.841 2.750 1.00 1.00 O ATOM 516 NE2 GLN A 34 82.117 13.340 4.775 1.00 1.00 N ATOM 0 H GLN A 34 82.215 11.921 2.411 1.00 1.00 H new ATOM 0 HA GLN A 34 84.505 12.770 0.773 1.00 1.00 H new ATOM 0 HB2 GLN A 34 84.332 11.992 3.723 1.00 1.00 H new ATOM 0 HB3 GLN A 34 85.645 12.864 2.957 1.00 1.00 H new ATOM 0 HG2 GLN A 34 84.319 14.594 3.930 1.00 1.00 H new ATOM 0 HG3 GLN A 34 83.845 14.616 2.243 1.00 1.00 H new ATOM 0 HE21 GLN A 34 82.875 13.239 5.450 1.00 1.00 H new ATOM 0 HE22 GLN A 34 81.156 13.143 5.054 1.00 1.00 H new ATOM 525 N THR A 35 85.811 10.634 0.561 1.00 1.00 N ATOM 526 CA THR A 35 86.482 9.319 0.355 1.00 1.00 C ATOM 527 C THR A 35 87.765 9.520 -0.454 1.00 1.00 C ATOM 528 O THR A 35 87.875 9.080 -1.581 1.00 1.00 O ATOM 529 CB THR A 35 85.542 8.381 -0.406 1.00 1.00 C ATOM 530 OG1 THR A 35 86.295 7.320 -0.975 1.00 1.00 O ATOM 531 CG2 THR A 35 84.831 9.158 -1.515 1.00 1.00 C ATOM 0 H THR A 35 86.188 11.405 0.010 1.00 1.00 H new ATOM 0 HA THR A 35 86.728 8.882 1.323 1.00 1.00 H new ATOM 0 HB THR A 35 84.800 7.973 0.280 1.00 1.00 H new ATOM 0 HG1 THR A 35 86.892 7.676 -1.666 1.00 1.00 H new ATOM 0 HG21 THR A 35 84.162 8.489 -2.056 1.00 1.00 H new ATOM 0 HG22 THR A 35 84.254 9.972 -1.076 1.00 1.00 H new ATOM 0 HG23 THR A 35 85.570 9.567 -2.204 1.00 1.00 H new ATOM 539 N ARG A 36 88.738 10.179 0.115 1.00 1.00 N ATOM 540 CA ARG A 36 90.017 10.407 -0.618 1.00 1.00 C ATOM 541 C ARG A 36 91.023 9.321 -0.233 1.00 1.00 C ATOM 542 O ARG A 36 92.191 9.399 -0.560 1.00 1.00 O ATOM 543 CB ARG A 36 90.581 11.780 -0.243 1.00 1.00 C ATOM 544 CG ARG A 36 89.486 12.839 -0.387 1.00 1.00 C ATOM 545 CD ARG A 36 89.016 12.893 -1.842 1.00 1.00 C ATOM 546 NE ARG A 36 88.339 14.196 -2.097 1.00 1.00 N ATOM 547 CZ ARG A 36 87.116 14.388 -1.685 1.00 1.00 C ATOM 548 NH1 ARG A 36 86.485 13.439 -1.050 1.00 1.00 N ATOM 549 NH2 ARG A 36 86.524 15.529 -1.909 1.00 1.00 N ATOM 0 H ARG A 36 88.703 10.570 1.057 1.00 1.00 H new ATOM 0 HA ARG A 36 89.834 10.370 -1.692 1.00 1.00 H new ATOM 0 HB2 ARG A 36 90.954 11.764 0.781 1.00 1.00 H new ATOM 0 HB3 ARG A 36 91.426 12.026 -0.886 1.00 1.00 H new ATOM 0 HG2 ARG A 36 88.648 12.602 0.268 1.00 1.00 H new ATOM 0 HG3 ARG A 36 89.865 13.814 -0.080 1.00 1.00 H new ATOM 0 HD2 ARG A 36 89.866 12.775 -2.514 1.00 1.00 H new ATOM 0 HD3 ARG A 36 88.332 12.069 -2.045 1.00 1.00 H new ATOM 0 HE ARG A 36 88.832 14.938 -2.594 1.00 1.00 H new ATOM 0 HH11 ARG A 36 86.948 12.547 -0.876 1.00 1.00 H new ATOM 0 HH12 ARG A 36 85.529 13.589 -0.728 1.00 1.00 H new ATOM 0 HH21 ARG A 36 87.017 16.271 -2.406 1.00 1.00 H new ATOM 0 HH22 ARG A 36 85.568 15.679 -1.587 1.00 1.00 H new ATOM 563 N GLN A 37 90.577 8.306 0.460 1.00 1.00 N ATOM 564 CA GLN A 37 91.502 7.208 0.870 1.00 1.00 C ATOM 565 C GLN A 37 91.316 6.012 -0.070 1.00 1.00 C ATOM 566 O GLN A 37 92.071 5.824 -1.003 1.00 1.00 O ATOM 567 CB GLN A 37 91.204 6.783 2.321 1.00 1.00 C ATOM 568 CG GLN A 37 89.883 7.405 2.778 1.00 1.00 C ATOM 569 CD GLN A 37 88.728 6.789 1.986 1.00 1.00 C ATOM 570 OE1 GLN A 37 88.700 6.863 0.773 1.00 1.00 O ATOM 571 NE2 GLN A 37 87.766 6.181 2.625 1.00 1.00 N ATOM 0 H GLN A 37 89.609 8.190 0.761 1.00 1.00 H new ATOM 0 HA GLN A 37 92.531 7.561 0.811 1.00 1.00 H new ATOM 0 HB2 GLN A 37 91.148 5.696 2.388 1.00 1.00 H new ATOM 0 HB3 GLN A 37 92.014 7.102 2.977 1.00 1.00 H new ATOM 0 HG2 GLN A 37 89.738 7.234 3.845 1.00 1.00 H new ATOM 0 HG3 GLN A 37 89.906 8.484 2.628 1.00 1.00 H new ATOM 0 HE21 GLN A 37 87.789 6.119 3.643 1.00 1.00 H new ATOM 0 HE22 GLN A 37 86.991 5.768 2.107 1.00 1.00 H new ATOM 580 N CYS A 38 90.319 5.203 0.169 1.00 1.00 N ATOM 581 CA CYS A 38 90.086 4.019 -0.708 1.00 1.00 C ATOM 582 C CYS A 38 91.374 3.200 -0.811 1.00 1.00 C ATOM 583 O CYS A 38 92.309 3.576 -1.491 1.00 1.00 O ATOM 584 CB CYS A 38 89.666 4.490 -2.102 1.00 1.00 C ATOM 585 SG CYS A 38 88.051 5.302 -2.004 1.00 1.00 S ATOM 0 H CYS A 38 89.655 5.311 0.935 1.00 1.00 H new ATOM 0 HA CYS A 38 89.296 3.401 -0.282 1.00 1.00 H new ATOM 0 HB2 CYS A 38 90.408 5.180 -2.503 1.00 1.00 H new ATOM 0 HB3 CYS A 38 89.618 3.642 -2.785 1.00 1.00 H new ATOM 590 N LYS A 39 91.433 2.083 -0.138 1.00 1.00 N ATOM 591 CA LYS A 39 92.661 1.241 -0.192 1.00 1.00 C ATOM 592 C LYS A 39 93.859 2.061 0.291 1.00 1.00 C ATOM 593 O LYS A 39 94.603 2.613 -0.495 1.00 1.00 O ATOM 594 CB LYS A 39 92.909 0.778 -1.631 1.00 1.00 C ATOM 595 CG LYS A 39 93.909 -0.380 -1.631 1.00 1.00 C ATOM 596 CD LYS A 39 94.575 -0.480 -3.004 1.00 1.00 C ATOM 597 CE LYS A 39 93.509 -0.722 -4.074 1.00 1.00 C ATOM 598 NZ LYS A 39 92.821 0.562 -4.389 1.00 1.00 N ATOM 0 H LYS A 39 90.682 1.717 0.448 1.00 1.00 H new ATOM 0 HA LYS A 39 92.529 0.369 0.449 1.00 1.00 H new ATOM 0 HB2 LYS A 39 91.972 0.463 -2.089 1.00 1.00 H new ATOM 0 HB3 LYS A 39 93.294 1.604 -2.229 1.00 1.00 H new ATOM 0 HG2 LYS A 39 94.663 -0.223 -0.860 1.00 1.00 H new ATOM 0 HG3 LYS A 39 93.400 -1.314 -1.393 1.00 1.00 H new ATOM 0 HD2 LYS A 39 95.122 0.437 -3.222 1.00 1.00 H new ATOM 0 HD3 LYS A 39 95.301 -1.293 -3.009 1.00 1.00 H new ATOM 0 HE2 LYS A 39 93.968 -1.131 -4.974 1.00 1.00 H new ATOM 0 HE3 LYS A 39 92.786 -1.458 -3.722 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 92.699 0.647 -5.418 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 91.889 0.579 -3.927 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 93.394 1.357 -4.042 1.00 1.00 H new ATOM 612 N SER A 40 94.050 2.147 1.579 1.00 1.00 N ATOM 613 CA SER A 40 95.198 2.933 2.109 1.00 1.00 C ATOM 614 C SER A 40 95.431 2.574 3.578 1.00 1.00 C ATOM 615 O SER A 40 96.549 2.367 4.005 1.00 1.00 O ATOM 616 CB SER A 40 94.890 4.426 1.993 1.00 1.00 C ATOM 617 OG SER A 40 94.892 4.800 0.622 1.00 1.00 O ATOM 0 H SER A 40 93.461 1.707 2.286 1.00 1.00 H new ATOM 0 HA SER A 40 96.093 2.699 1.533 1.00 1.00 H new ATOM 0 HB2 SER A 40 93.920 4.645 2.440 1.00 1.00 H new ATOM 0 HB3 SER A 40 95.632 5.006 2.541 1.00 1.00 H new ATOM 0 HG SER A 40 95.196 4.044 0.077 1.00 1.00 H new ATOM 623 N LYS A 41 94.385 2.499 4.356 1.00 1.00 N ATOM 624 CA LYS A 41 94.554 2.155 5.797 1.00 1.00 C ATOM 625 C LYS A 41 94.571 0.630 5.958 1.00 1.00 C ATOM 626 O LYS A 41 93.863 -0.076 5.267 1.00 1.00 O ATOM 627 CB LYS A 41 93.388 2.739 6.599 1.00 1.00 C ATOM 628 CG LYS A 41 93.514 4.263 6.650 1.00 1.00 C ATOM 629 CD LYS A 41 92.170 4.874 7.053 1.00 1.00 C ATOM 630 CE LYS A 41 91.372 5.225 5.796 1.00 1.00 C ATOM 631 NZ LYS A 41 90.962 3.972 5.102 1.00 1.00 N ATOM 0 H LYS A 41 93.423 2.661 4.057 1.00 1.00 H new ATOM 0 HA LYS A 41 95.493 2.570 6.164 1.00 1.00 H new ATOM 0 HB2 LYS A 41 92.440 2.457 6.140 1.00 1.00 H new ATOM 0 HB3 LYS A 41 93.387 2.330 7.609 1.00 1.00 H new ATOM 0 HG2 LYS A 41 94.285 4.551 7.365 1.00 1.00 H new ATOM 0 HG3 LYS A 41 93.822 4.646 5.677 1.00 1.00 H new ATOM 0 HD2 LYS A 41 91.609 4.171 7.668 1.00 1.00 H new ATOM 0 HD3 LYS A 41 92.331 5.768 7.656 1.00 1.00 H new ATOM 0 HE2 LYS A 41 90.492 5.810 6.063 1.00 1.00 H new ATOM 0 HE3 LYS A 41 91.975 5.842 5.130 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 90.208 4.185 4.418 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 91.780 3.569 4.602 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 90.612 3.287 5.801 1.00 1.00 H new ATOM 645 N PRO A 42 95.371 0.122 6.864 1.00 1.00 N ATOM 646 CA PRO A 42 95.470 -1.347 7.112 1.00 1.00 C ATOM 647 C PRO A 42 94.243 -1.889 7.858 1.00 1.00 C ATOM 648 O PRO A 42 93.512 -1.145 8.482 1.00 1.00 O ATOM 649 CB PRO A 42 96.727 -1.481 7.976 1.00 1.00 C ATOM 650 CG PRO A 42 96.845 -0.174 8.689 1.00 1.00 C ATOM 651 CD PRO A 42 96.263 0.887 7.751 1.00 1.00 C ATOM 0 HA PRO A 42 95.517 -1.917 6.184 1.00 1.00 H new ATOM 0 HB2 PRO A 42 96.636 -2.308 8.680 1.00 1.00 H new ATOM 0 HB3 PRO A 42 97.607 -1.678 7.364 1.00 1.00 H new ATOM 0 HG2 PRO A 42 96.301 -0.197 9.634 1.00 1.00 H new ATOM 0 HG3 PRO A 42 97.886 0.046 8.926 1.00 1.00 H new ATOM 0 HD2 PRO A 42 95.718 1.653 8.303 1.00 1.00 H new ATOM 0 HD3 PRO A 42 97.046 1.396 7.189 1.00 1.00 H new ATOM 659 N PRO A 43 94.024 -3.177 7.797 1.00 1.00 N ATOM 660 CA PRO A 43 92.871 -3.830 8.481 1.00 1.00 C ATOM 661 C PRO A 43 93.090 -3.948 9.994 1.00 1.00 C ATOM 662 O PRO A 43 94.145 -4.344 10.447 1.00 1.00 O ATOM 663 CB PRO A 43 92.813 -5.217 7.837 1.00 1.00 C ATOM 664 CG PRO A 43 94.216 -5.504 7.415 1.00 1.00 C ATOM 665 CD PRO A 43 94.852 -4.154 7.072 1.00 1.00 C ATOM 0 HA PRO A 43 91.950 -3.258 8.369 1.00 1.00 H new ATOM 0 HB2 PRO A 43 92.452 -5.965 8.543 1.00 1.00 H new ATOM 0 HB3 PRO A 43 92.134 -5.229 6.985 1.00 1.00 H new ATOM 0 HG2 PRO A 43 94.767 -6.001 8.213 1.00 1.00 H new ATOM 0 HG3 PRO A 43 94.233 -6.171 6.553 1.00 1.00 H new ATOM 0 HD2 PRO A 43 95.893 -4.110 7.392 1.00 1.00 H new ATOM 0 HD3 PRO A 43 94.840 -3.968 5.998 1.00 1.00 H new ATOM 673 N LYS A 44 92.102 -3.610 10.777 1.00 1.00 N ATOM 674 CA LYS A 44 92.258 -3.707 12.256 1.00 1.00 C ATOM 675 C LYS A 44 90.882 -3.917 12.898 1.00 1.00 C ATOM 676 O LYS A 44 90.520 -5.019 13.258 1.00 1.00 O ATOM 677 CB LYS A 44 92.903 -2.415 12.787 1.00 1.00 C ATOM 678 CG LYS A 44 93.890 -2.756 13.906 1.00 1.00 C ATOM 679 CD LYS A 44 95.237 -3.150 13.296 1.00 1.00 C ATOM 680 CE LYS A 44 96.254 -3.384 14.415 1.00 1.00 C ATOM 681 NZ LYS A 44 97.615 -3.533 13.825 1.00 1.00 N ATOM 0 H LYS A 44 91.195 -3.271 10.457 1.00 1.00 H new ATOM 0 HA LYS A 44 92.899 -4.552 12.507 1.00 1.00 H new ATOM 0 HB2 LYS A 44 93.419 -1.896 11.979 1.00 1.00 H new ATOM 0 HB3 LYS A 44 92.134 -1.739 13.160 1.00 1.00 H new ATOM 0 HG2 LYS A 44 94.015 -1.899 14.568 1.00 1.00 H new ATOM 0 HG3 LYS A 44 93.500 -3.574 14.512 1.00 1.00 H new ATOM 0 HD2 LYS A 44 95.126 -4.053 12.696 1.00 1.00 H new ATOM 0 HD3 LYS A 44 95.590 -2.364 12.628 1.00 1.00 H new ATOM 0 HE2 LYS A 44 96.239 -2.549 15.115 1.00 1.00 H new ATOM 0 HE3 LYS A 44 95.991 -4.278 14.980 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 98.307 -3.692 14.585 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 97.624 -4.343 13.173 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 97.865 -2.668 13.305 1.00 1.00 H new ATOM 695 N LYS A 45 90.111 -2.871 13.041 1.00 1.00 N ATOM 696 CA LYS A 45 88.758 -3.014 13.656 1.00 1.00 C ATOM 697 C LYS A 45 88.149 -1.624 13.866 1.00 1.00 C ATOM 698 O LYS A 45 88.533 -0.896 14.760 1.00 1.00 O ATOM 699 CB LYS A 45 88.875 -3.738 15.010 1.00 1.00 C ATOM 700 CG LYS A 45 88.140 -5.078 14.939 1.00 1.00 C ATOM 701 CD LYS A 45 88.487 -5.917 16.170 1.00 1.00 C ATOM 702 CE LYS A 45 87.890 -7.318 16.019 1.00 1.00 C ATOM 703 NZ LYS A 45 88.523 -8.004 14.857 1.00 1.00 N ATOM 0 H LYS A 45 90.360 -1.923 12.758 1.00 1.00 H new ATOM 0 HA LYS A 45 88.118 -3.597 12.994 1.00 1.00 H new ATOM 0 HB2 LYS A 45 89.924 -3.900 15.258 1.00 1.00 H new ATOM 0 HB3 LYS A 45 88.451 -3.121 15.802 1.00 1.00 H new ATOM 0 HG2 LYS A 45 87.064 -4.912 14.891 1.00 1.00 H new ATOM 0 HG3 LYS A 45 88.422 -5.612 14.031 1.00 1.00 H new ATOM 0 HD2 LYS A 45 89.569 -5.982 16.286 1.00 1.00 H new ATOM 0 HD3 LYS A 45 88.098 -5.440 17.070 1.00 1.00 H new ATOM 0 HE2 LYS A 45 88.054 -7.895 16.929 1.00 1.00 H new ATOM 0 HE3 LYS A 45 86.812 -7.252 15.873 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 88.817 -8.961 15.137 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 87.839 -8.067 14.076 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 89.355 -7.463 14.546 1.00 1.00 H new ATOM 717 N GLY A 46 87.199 -1.251 13.051 1.00 1.00 N ATOM 718 CA GLY A 46 86.563 0.088 13.208 1.00 1.00 C ATOM 719 C GLY A 46 87.383 1.143 12.462 1.00 1.00 C ATOM 720 O GLY A 46 86.844 2.066 11.884 1.00 1.00 O ATOM 0 H GLY A 46 86.836 -1.816 12.283 1.00 1.00 H new ATOM 0 HA2 GLY A 46 85.545 0.065 12.820 1.00 1.00 H new ATOM 0 HA3 GLY A 46 86.496 0.347 14.265 1.00 1.00 H new ATOM 724 N VAL A 47 88.683 1.017 12.470 1.00 1.00 N ATOM 725 CA VAL A 47 89.532 2.016 11.762 1.00 1.00 C ATOM 726 C VAL A 47 88.963 2.274 10.365 1.00 1.00 C ATOM 727 O VAL A 47 88.670 1.356 9.624 1.00 1.00 O ATOM 728 CB VAL A 47 90.960 1.480 11.640 1.00 1.00 C ATOM 729 CG1 VAL A 47 91.532 1.226 13.036 1.00 1.00 C ATOM 730 CG2 VAL A 47 90.946 0.169 10.850 1.00 1.00 C ATOM 0 H VAL A 47 89.192 0.266 12.936 1.00 1.00 H new ATOM 0 HA VAL A 47 89.541 2.948 12.328 1.00 1.00 H new ATOM 0 HB VAL A 47 91.579 2.212 11.121 1.00 1.00 H new ATOM 0 HG11 VAL A 47 92.549 0.844 12.948 1.00 1.00 H new ATOM 0 HG12 VAL A 47 91.542 2.158 13.600 1.00 1.00 H new ATOM 0 HG13 VAL A 47 90.913 0.494 13.555 1.00 1.00 H new ATOM 0 HG21 VAL A 47 91.963 -0.214 10.762 1.00 1.00 H new ATOM 0 HG22 VAL A 47 90.326 -0.562 11.369 1.00 1.00 H new ATOM 0 HG23 VAL A 47 90.539 0.348 9.855 1.00 1.00 H new ATOM 740 N GLN A 48 88.801 3.517 9.998 1.00 1.00 N ATOM 741 CA GLN A 48 88.250 3.829 8.649 1.00 1.00 C ATOM 742 C GLN A 48 88.571 5.284 8.293 1.00 1.00 C ATOM 743 O GLN A 48 88.398 5.710 7.168 1.00 1.00 O ATOM 744 CB GLN A 48 86.728 3.615 8.659 1.00 1.00 C ATOM 745 CG GLN A 48 86.338 2.665 7.525 1.00 1.00 C ATOM 746 CD GLN A 48 86.747 3.277 6.183 1.00 1.00 C ATOM 747 OE1 GLN A 48 86.006 4.043 5.601 1.00 1.00 O ATOM 748 NE2 GLN A 48 87.904 2.967 5.664 1.00 1.00 N ATOM 0 H GLN A 48 89.026 4.328 10.574 1.00 1.00 H new ATOM 0 HA GLN A 48 88.700 3.171 7.905 1.00 1.00 H new ATOM 0 HB2 GLN A 48 86.415 3.202 9.618 1.00 1.00 H new ATOM 0 HB3 GLN A 48 86.215 4.570 8.540 1.00 1.00 H new ATOM 0 HG2 GLN A 48 86.826 1.700 7.661 1.00 1.00 H new ATOM 0 HG3 GLN A 48 85.263 2.484 7.542 1.00 1.00 H new ATOM 0 HE21 GLN A 48 88.526 2.324 6.153 1.00 1.00 H new ATOM 0 HE22 GLN A 48 88.186 3.368 4.770 1.00 1.00 H new ATOM 757 N GLY A 49 89.039 6.049 9.242 1.00 1.00 N ATOM 758 CA GLY A 49 89.373 7.474 8.957 1.00 1.00 C ATOM 759 C GLY A 49 88.102 8.325 9.009 1.00 1.00 C ATOM 760 O GLY A 49 88.133 9.480 9.385 1.00 1.00 O ATOM 0 H GLY A 49 89.205 5.749 10.203 1.00 1.00 H new ATOM 0 HA2 GLY A 49 90.097 7.840 9.685 1.00 1.00 H new ATOM 0 HA3 GLY A 49 89.838 7.559 7.975 1.00 1.00 H new ATOM 764 N CYS A 50 86.985 7.766 8.633 1.00 1.00 N ATOM 765 CA CYS A 50 85.717 8.548 8.660 1.00 1.00 C ATOM 766 C CYS A 50 85.323 8.832 10.111 1.00 1.00 C ATOM 767 O CYS A 50 86.105 9.343 10.888 1.00 1.00 O ATOM 768 CB CYS A 50 84.609 7.747 7.972 1.00 1.00 C ATOM 769 SG CYS A 50 84.996 7.573 6.213 1.00 1.00 S ATOM 0 H CYS A 50 86.895 6.803 8.309 1.00 1.00 H new ATOM 0 HA CYS A 50 85.860 9.492 8.134 1.00 1.00 H new ATOM 0 HB2 CYS A 50 84.515 6.764 8.434 1.00 1.00 H new ATOM 0 HB3 CYS A 50 83.650 8.250 8.097 1.00 1.00 H new ATOM 774 N GLY A 51 84.115 8.509 10.486 1.00 1.00 N ATOM 775 CA GLY A 51 83.678 8.766 11.887 1.00 1.00 C ATOM 776 C GLY A 51 83.407 10.261 12.071 1.00 1.00 C ATOM 777 O GLY A 51 83.210 10.736 13.172 1.00 1.00 O ATOM 0 H GLY A 51 83.413 8.079 9.884 1.00 1.00 H new ATOM 0 HA2 GLY A 51 82.778 8.192 12.110 1.00 1.00 H new ATOM 0 HA3 GLY A 51 84.447 8.436 12.585 1.00 1.00 H new ATOM 781 N ASP A 52 83.398 11.007 10.998 1.00 1.00 N ATOM 782 CA ASP A 52 83.140 12.473 11.103 1.00 1.00 C ATOM 783 C ASP A 52 81.674 12.759 10.770 1.00 1.00 C ATOM 784 O ASP A 52 81.079 13.684 11.286 1.00 1.00 O ATOM 785 CB ASP A 52 84.040 13.219 10.115 1.00 1.00 C ATOM 786 CG ASP A 52 85.475 13.239 10.645 1.00 1.00 C ATOM 787 OD1 ASP A 52 86.068 12.177 10.733 1.00 1.00 O ATOM 788 OD2 ASP A 52 85.956 14.317 10.954 1.00 1.00 O ATOM 0 H ASP A 52 83.559 10.663 10.051 1.00 1.00 H new ATOM 0 HA ASP A 52 83.354 12.808 12.118 1.00 1.00 H new ATOM 0 HB2 ASP A 52 84.008 12.733 9.140 1.00 1.00 H new ATOM 0 HB3 ASP A 52 83.679 14.238 9.976 1.00 1.00 H new ATOM 793 N ASP A 53 81.089 11.973 9.908 1.00 1.00 N ATOM 794 CA ASP A 53 79.663 12.201 9.540 1.00 1.00 C ATOM 795 C ASP A 53 78.762 11.810 10.713 1.00 1.00 C ATOM 796 O ASP A 53 79.204 11.707 11.840 1.00 1.00 O ATOM 797 CB ASP A 53 79.310 11.347 8.320 1.00 1.00 C ATOM 798 CG ASP A 53 79.571 9.873 8.635 1.00 1.00 C ATOM 799 OD1 ASP A 53 80.453 9.605 9.434 1.00 1.00 O ATOM 800 OD2 ASP A 53 78.883 9.037 8.073 1.00 1.00 O ATOM 0 H ASP A 53 81.537 11.183 9.443 1.00 1.00 H new ATOM 0 HA ASP A 53 79.513 13.255 9.304 1.00 1.00 H new ATOM 0 HB2 ASP A 53 78.264 11.493 8.052 1.00 1.00 H new ATOM 0 HB3 ASP A 53 79.905 11.657 7.461 1.00 1.00 H new ATOM 805 N ILE A 54 77.498 11.593 10.454 1.00 1.00 N ATOM 806 CA ILE A 54 76.556 11.208 11.547 1.00 1.00 C ATOM 807 C ILE A 54 75.869 9.888 11.184 1.00 1.00 C ATOM 808 O ILE A 54 74.741 9.874 10.733 1.00 1.00 O ATOM 809 CB ILE A 54 75.495 12.301 11.714 1.00 1.00 C ATOM 810 CG1 ILE A 54 76.172 13.673 11.698 1.00 1.00 C ATOM 811 CG2 ILE A 54 74.768 12.108 13.046 1.00 1.00 C ATOM 812 CD1 ILE A 54 76.181 14.222 10.270 1.00 1.00 C ATOM 0 H ILE A 54 77.076 11.666 9.528 1.00 1.00 H new ATOM 0 HA ILE A 54 77.109 11.090 12.479 1.00 1.00 H new ATOM 0 HB ILE A 54 74.777 12.239 10.896 1.00 1.00 H new ATOM 0 HG12 ILE A 54 75.643 14.359 12.359 1.00 1.00 H new ATOM 0 HG13 ILE A 54 77.192 13.591 12.074 1.00 1.00 H new ATOM 0 HG21 ILE A 54 74.013 12.886 13.165 1.00 1.00 H new ATOM 0 HG22 ILE A 54 74.287 11.130 13.059 1.00 1.00 H new ATOM 0 HG23 ILE A 54 75.485 12.171 13.864 1.00 1.00 H new ATOM 0 HD11 ILE A 54 76.663 15.199 10.259 1.00 1.00 H new ATOM 0 HD12 ILE A 54 76.730 13.539 9.621 1.00 1.00 H new ATOM 0 HD13 ILE A 54 75.156 14.319 9.911 1.00 1.00 H new ATOM 824 N PRO A 55 76.545 8.786 11.379 1.00 1.00 N ATOM 825 CA PRO A 55 75.992 7.439 11.066 1.00 1.00 C ATOM 826 C PRO A 55 75.051 6.931 12.164 1.00 1.00 C ATOM 827 O PRO A 55 75.108 7.371 13.296 1.00 1.00 O ATOM 828 CB PRO A 55 77.240 6.560 10.972 1.00 1.00 C ATOM 829 CG PRO A 55 78.238 7.203 11.879 1.00 1.00 C ATOM 830 CD PRO A 55 77.912 8.700 11.917 1.00 1.00 C ATOM 0 HA PRO A 55 75.390 7.441 10.157 1.00 1.00 H new ATOM 0 HB2 PRO A 55 77.026 5.537 11.283 1.00 1.00 H new ATOM 0 HB3 PRO A 55 77.612 6.511 9.948 1.00 1.00 H new ATOM 0 HG2 PRO A 55 78.185 6.771 12.879 1.00 1.00 H new ATOM 0 HG3 PRO A 55 79.252 7.039 11.515 1.00 1.00 H new ATOM 0 HD2 PRO A 55 77.966 9.094 12.932 1.00 1.00 H new ATOM 0 HD3 PRO A 55 78.614 9.276 11.314 1.00 1.00 H new ATOM 838 N GLY A 56 74.187 6.009 11.838 1.00 1.00 N ATOM 839 CA GLY A 56 73.243 5.476 12.862 1.00 1.00 C ATOM 840 C GLY A 56 72.038 6.410 12.983 1.00 1.00 C ATOM 841 O GLY A 56 71.311 6.378 13.956 1.00 1.00 O ATOM 0 H GLY A 56 74.094 5.602 10.908 1.00 1.00 H new ATOM 0 HA2 GLY A 56 72.914 4.475 12.582 1.00 1.00 H new ATOM 0 HA3 GLY A 56 73.746 5.388 13.825 1.00 1.00 H new ATOM 845 N MET A 57 71.821 7.243 12.003 1.00 1.00 N ATOM 846 CA MET A 57 70.663 8.179 12.063 1.00 1.00 C ATOM 847 C MET A 57 70.373 8.722 10.662 1.00 1.00 C ATOM 848 O MET A 57 70.598 9.881 10.377 1.00 1.00 O ATOM 849 CB MET A 57 70.996 9.343 13.003 1.00 1.00 C ATOM 850 CG MET A 57 69.748 10.199 13.226 1.00 1.00 C ATOM 851 SD MET A 57 69.151 9.966 14.919 1.00 1.00 S ATOM 852 CE MET A 57 68.474 8.303 14.693 1.00 1.00 C ATOM 0 H MET A 57 72.395 7.316 11.163 1.00 1.00 H new ATOM 0 HA MET A 57 69.786 7.649 12.436 1.00 1.00 H new ATOM 0 HB2 MET A 57 71.361 8.960 13.956 1.00 1.00 H new ATOM 0 HB3 MET A 57 71.794 9.951 12.576 1.00 1.00 H new ATOM 0 HG2 MET A 57 69.979 11.250 13.052 1.00 1.00 H new ATOM 0 HG3 MET A 57 68.971 9.921 12.514 1.00 1.00 H new ATOM 0 HE1 MET A 57 67.765 8.087 15.493 1.00 1.00 H new ATOM 0 HE2 MET A 57 67.964 8.245 13.731 1.00 1.00 H new ATOM 0 HE3 MET A 57 69.284 7.574 14.719 1.00 1.00 H new ATOM 862 N GLU A 58 69.874 7.894 9.785 1.00 1.00 N ATOM 863 CA GLU A 58 69.572 8.365 8.404 1.00 1.00 C ATOM 864 C GLU A 58 68.548 7.427 7.756 1.00 1.00 C ATOM 865 O GLU A 58 67.515 7.135 8.325 1.00 1.00 O ATOM 866 CB GLU A 58 70.861 8.377 7.577 1.00 1.00 C ATOM 867 CG GLU A 58 71.570 7.028 7.713 1.00 1.00 C ATOM 868 CD GLU A 58 72.265 6.951 9.073 1.00 1.00 C ATOM 869 OE1 GLU A 58 72.967 7.890 9.412 1.00 1.00 O ATOM 870 OE2 GLU A 58 72.085 5.955 9.754 1.00 1.00 O ATOM 0 H GLU A 58 69.663 6.913 9.965 1.00 1.00 H new ATOM 0 HA GLU A 58 69.160 9.373 8.443 1.00 1.00 H new ATOM 0 HB2 GLU A 58 70.632 8.575 6.530 1.00 1.00 H new ATOM 0 HB3 GLU A 58 71.516 9.179 7.917 1.00 1.00 H new ATOM 0 HG2 GLU A 58 70.850 6.215 7.614 1.00 1.00 H new ATOM 0 HG3 GLU A 58 72.300 6.907 6.913 1.00 1.00 H new ATOM 877 N GLY A 59 68.825 6.955 6.571 1.00 1.00 N ATOM 878 CA GLY A 59 67.867 6.038 5.890 1.00 1.00 C ATOM 879 C GLY A 59 68.109 6.086 4.380 1.00 1.00 C ATOM 880 O GLY A 59 68.112 5.073 3.709 1.00 1.00 O ATOM 0 H GLY A 59 69.673 7.165 6.045 1.00 1.00 H new ATOM 0 HA2 GLY A 59 67.995 5.020 6.258 1.00 1.00 H new ATOM 0 HA3 GLY A 59 66.842 6.332 6.115 1.00 1.00 H new ATOM 884 N CYS A 60 68.315 7.257 3.843 1.00 1.00 N ATOM 885 CA CYS A 60 68.561 7.373 2.378 1.00 1.00 C ATOM 886 C CYS A 60 67.464 6.631 1.613 1.00 1.00 C ATOM 887 O CYS A 60 66.499 6.165 2.185 1.00 1.00 O ATOM 888 CB CYS A 60 69.921 6.759 2.040 1.00 1.00 C ATOM 889 SG CYS A 60 71.239 7.811 2.698 1.00 1.00 S ATOM 0 H CYS A 60 68.324 8.139 4.356 1.00 1.00 H new ATOM 0 HA CYS A 60 68.554 8.425 2.092 1.00 1.00 H new ATOM 0 HB2 CYS A 60 69.995 5.757 2.464 1.00 1.00 H new ATOM 0 HB3 CYS A 60 70.028 6.657 0.960 1.00 1.00 H new ATOM 894 N GLY A 61 67.609 6.517 0.321 1.00 1.00 N ATOM 895 CA GLY A 61 66.582 5.806 -0.491 1.00 1.00 C ATOM 896 C GLY A 61 67.103 5.635 -1.918 1.00 1.00 C ATOM 897 O GLY A 61 67.332 4.535 -2.378 1.00 1.00 O ATOM 0 H GLY A 61 68.398 6.887 -0.209 1.00 1.00 H new ATOM 0 HA2 GLY A 61 66.363 4.833 -0.052 1.00 1.00 H new ATOM 0 HA3 GLY A 61 65.650 6.371 -0.496 1.00 1.00 H new ATOM 901 N THR A 62 67.301 6.720 -2.617 1.00 1.00 N ATOM 902 CA THR A 62 67.817 6.631 -4.013 1.00 1.00 C ATOM 903 C THR A 62 67.040 5.568 -4.792 1.00 1.00 C ATOM 904 O THR A 62 67.309 4.389 -4.688 1.00 1.00 O ATOM 905 CB THR A 62 69.301 6.253 -3.982 1.00 1.00 C ATOM 906 OG1 THR A 62 69.491 5.160 -3.095 1.00 1.00 O ATOM 907 CG2 THR A 62 70.125 7.450 -3.504 1.00 1.00 C ATOM 0 H THR A 62 67.127 7.667 -2.280 1.00 1.00 H new ATOM 0 HA THR A 62 67.691 7.597 -4.503 1.00 1.00 H new ATOM 0 HB THR A 62 69.625 5.969 -4.983 1.00 1.00 H new ATOM 0 HG1 THR A 62 68.783 4.497 -3.236 1.00 1.00 H new ATOM 0 HG21 THR A 62 71.181 7.180 -3.482 1.00 1.00 H new ATOM 0 HG22 THR A 62 69.979 8.288 -4.186 1.00 1.00 H new ATOM 0 HG23 THR A 62 69.803 7.737 -2.503 1.00 1.00 H new ATOM 915 N ASP A 63 66.085 5.978 -5.583 1.00 1.00 N ATOM 916 CA ASP A 63 65.305 4.989 -6.379 1.00 1.00 C ATOM 917 C ASP A 63 66.213 4.411 -7.466 1.00 1.00 C ATOM 918 O ASP A 63 65.878 4.401 -8.633 1.00 1.00 O ATOM 919 CB ASP A 63 64.105 5.683 -7.026 1.00 1.00 C ATOM 920 CG ASP A 63 64.562 6.988 -7.680 1.00 1.00 C ATOM 921 OD1 ASP A 63 65.438 6.929 -8.527 1.00 1.00 O ATOM 922 OD2 ASP A 63 64.027 8.025 -7.324 1.00 1.00 O ATOM 0 H ASP A 63 65.812 6.952 -5.712 1.00 1.00 H new ATOM 0 HA ASP A 63 64.945 4.190 -5.731 1.00 1.00 H new ATOM 0 HB2 ASP A 63 63.652 5.029 -7.771 1.00 1.00 H new ATOM 0 HB3 ASP A 63 63.342 5.888 -6.275 1.00 1.00 H new ATOM 927 N ILE A 64 67.367 3.941 -7.082 1.00 1.00 N ATOM 928 CA ILE A 64 68.322 3.371 -8.072 1.00 1.00 C ATOM 929 C ILE A 64 68.612 4.391 -9.161 1.00 1.00 C ATOM 930 O ILE A 64 68.074 4.320 -10.248 1.00 1.00 O ATOM 931 CB ILE A 64 67.742 2.119 -8.723 1.00 1.00 C ATOM 932 CG1 ILE A 64 67.381 1.102 -7.638 1.00 1.00 C ATOM 933 CG2 ILE A 64 68.778 1.508 -9.668 1.00 1.00 C ATOM 934 CD1 ILE A 64 65.859 1.002 -7.518 1.00 1.00 C ATOM 0 H ILE A 64 67.692 3.928 -6.115 1.00 1.00 H new ATOM 0 HA ILE A 64 69.240 3.113 -7.544 1.00 1.00 H new ATOM 0 HB ILE A 64 66.848 2.384 -9.287 1.00 1.00 H new ATOM 0 HG12 ILE A 64 67.802 0.127 -7.884 1.00 1.00 H new ATOM 0 HG13 ILE A 64 67.813 1.404 -6.684 1.00 1.00 H new ATOM 0 HG21 ILE A 64 68.364 0.614 -10.133 1.00 1.00 H new ATOM 0 HG22 ILE A 64 69.037 2.232 -10.441 1.00 1.00 H new ATOM 0 HG23 ILE A 64 69.673 1.243 -9.105 1.00 1.00 H new ATOM 0 HD11 ILE A 64 65.602 0.278 -6.745 1.00 1.00 H new ATOM 0 HD12 ILE A 64 65.450 1.977 -7.252 1.00 1.00 H new ATOM 0 HD13 ILE A 64 65.439 0.680 -8.471 1.00 1.00 H new ATOM 946 N THR A 65 69.470 5.330 -8.895 1.00 1.00 N ATOM 947 CA THR A 65 69.791 6.326 -9.945 1.00 1.00 C ATOM 948 C THR A 65 70.244 5.571 -11.192 1.00 1.00 C ATOM 949 O THR A 65 70.222 6.088 -12.290 1.00 1.00 O ATOM 950 CB THR A 65 70.910 7.251 -9.460 1.00 1.00 C ATOM 951 OG1 THR A 65 70.627 7.679 -8.136 1.00 1.00 O ATOM 952 CG2 THR A 65 71.006 8.467 -10.383 1.00 1.00 C ATOM 0 H THR A 65 69.957 5.450 -8.007 1.00 1.00 H new ATOM 0 HA THR A 65 68.914 6.933 -10.170 1.00 1.00 H new ATOM 0 HB THR A 65 71.858 6.713 -9.473 1.00 1.00 H new ATOM 0 HG21 THR A 65 71.803 9.125 -10.036 1.00 1.00 H new ATOM 0 HG22 THR A 65 71.224 8.137 -11.399 1.00 1.00 H new ATOM 0 HG23 THR A 65 70.059 9.007 -10.373 1.00 1.00 H new ATOM 960 N VAL A 66 70.643 4.338 -11.021 1.00 1.00 N ATOM 961 CA VAL A 66 71.093 3.523 -12.183 1.00 1.00 C ATOM 962 C VAL A 66 71.048 2.037 -11.808 1.00 1.00 C ATOM 963 O VAL A 66 70.175 1.305 -12.229 1.00 1.00 O ATOM 964 CB VAL A 66 72.534 3.910 -12.564 1.00 1.00 C ATOM 965 CG1 VAL A 66 72.505 4.928 -13.706 1.00 1.00 C ATOM 966 CG2 VAL A 66 73.232 4.527 -11.350 1.00 1.00 C ATOM 0 H VAL A 66 70.676 3.860 -10.121 1.00 1.00 H new ATOM 0 HA VAL A 66 70.434 3.709 -13.031 1.00 1.00 H new ATOM 0 HB VAL A 66 73.077 3.021 -12.884 1.00 1.00 H new ATOM 0 HG11 VAL A 66 73.525 5.202 -13.975 1.00 1.00 H new ATOM 0 HG12 VAL A 66 72.006 4.491 -14.571 1.00 1.00 H new ATOM 0 HG13 VAL A 66 71.963 5.818 -13.386 1.00 1.00 H new ATOM 0 HG21 VAL A 66 74.252 4.802 -11.618 1.00 1.00 H new ATOM 0 HG22 VAL A 66 72.689 5.416 -11.031 1.00 1.00 H new ATOM 0 HG23 VAL A 66 73.253 3.803 -10.535 1.00 1.00 H new ATOM 976 N ILE A 67 71.993 1.588 -11.025 1.00 1.00 N ATOM 977 CA ILE A 67 72.025 0.151 -10.620 1.00 1.00 C ATOM 978 C ILE A 67 72.389 0.023 -9.136 1.00 1.00 C ATOM 979 O ILE A 67 73.550 0.002 -8.778 1.00 1.00 O ATOM 980 CB ILE A 67 73.068 -0.591 -11.459 1.00 1.00 C ATOM 981 CG1 ILE A 67 72.793 -0.346 -12.944 1.00 1.00 C ATOM 982 CG2 ILE A 67 72.986 -2.090 -11.167 1.00 1.00 C ATOM 983 CD1 ILE A 67 73.852 -1.064 -13.785 1.00 1.00 C ATOM 0 H ILE A 67 72.749 2.158 -10.646 1.00 1.00 H new ATOM 0 HA ILE A 67 71.038 -0.282 -10.783 1.00 1.00 H new ATOM 0 HB ILE A 67 74.064 -0.226 -11.207 1.00 1.00 H new ATOM 0 HG12 ILE A 67 71.799 -0.708 -13.205 1.00 1.00 H new ATOM 0 HG13 ILE A 67 72.808 0.723 -13.156 1.00 1.00 H new ATOM 0 HG21 ILE A 67 73.729 -2.618 -11.765 1.00 1.00 H new ATOM 0 HG22 ILE A 67 73.180 -2.266 -10.109 1.00 1.00 H new ATOM 0 HG23 ILE A 67 71.991 -2.456 -11.419 1.00 1.00 H new ATOM 0 HD11 ILE A 67 73.656 -0.890 -14.843 1.00 1.00 H new ATOM 0 HD12 ILE A 67 74.840 -0.680 -13.531 1.00 1.00 H new ATOM 0 HD13 ILE A 67 73.815 -2.134 -13.581 1.00 1.00 H new ATOM 995 N CYS A 68 71.419 -0.085 -8.271 1.00 1.00 N ATOM 996 CA CYS A 68 71.734 -0.237 -6.820 1.00 1.00 C ATOM 997 C CYS A 68 71.911 -1.727 -6.503 1.00 1.00 C ATOM 998 O CYS A 68 71.495 -2.578 -7.263 1.00 1.00 O ATOM 999 CB CYS A 68 70.585 0.340 -5.988 1.00 1.00 C ATOM 1000 SG CYS A 68 70.764 2.138 -5.875 1.00 1.00 S ATOM 0 H CYS A 68 70.426 -0.075 -8.503 1.00 1.00 H new ATOM 0 HA CYS A 68 72.652 0.298 -6.579 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.628 0.087 -6.445 1.00 1.00 H new ATOM 0 HB3 CYS A 68 70.588 -0.100 -4.991 1.00 1.00 H new ATOM 1005 N PRO A 69 72.534 -2.053 -5.396 1.00 1.00 N ATOM 1006 CA PRO A 69 72.770 -3.472 -5.001 1.00 1.00 C ATOM 1007 C PRO A 69 71.554 -4.366 -5.256 1.00 1.00 C ATOM 1008 O PRO A 69 71.663 -5.576 -5.305 1.00 1.00 O ATOM 1009 CB PRO A 69 73.073 -3.374 -3.507 1.00 1.00 C ATOM 1010 CG PRO A 69 73.706 -2.032 -3.339 1.00 1.00 C ATOM 1011 CD PRO A 69 73.083 -1.117 -4.400 1.00 1.00 C ATOM 0 HA PRO A 69 73.571 -3.930 -5.581 1.00 1.00 H new ATOM 0 HB2 PRO A 69 72.164 -3.461 -2.912 1.00 1.00 H new ATOM 0 HB3 PRO A 69 73.743 -4.171 -3.185 1.00 1.00 H new ATOM 0 HG2 PRO A 69 73.526 -1.642 -2.337 1.00 1.00 H new ATOM 0 HG3 PRO A 69 74.787 -2.095 -3.468 1.00 1.00 H new ATOM 0 HD2 PRO A 69 72.304 -0.484 -3.974 1.00 1.00 H new ATOM 0 HD3 PRO A 69 73.826 -0.454 -4.842 1.00 1.00 H new ATOM 1019 N TRP A 70 70.400 -3.786 -5.427 1.00 1.00 N ATOM 1020 CA TRP A 70 69.189 -4.613 -5.687 1.00 1.00 C ATOM 1021 C TRP A 70 69.288 -5.213 -7.092 1.00 1.00 C ATOM 1022 O TRP A 70 68.501 -6.055 -7.475 1.00 1.00 O ATOM 1023 CB TRP A 70 67.931 -3.740 -5.580 1.00 1.00 C ATOM 1024 CG TRP A 70 68.188 -2.609 -4.637 1.00 1.00 C ATOM 1025 CD1 TRP A 70 67.961 -1.304 -4.909 1.00 1.00 C ATOM 1026 CD2 TRP A 70 68.715 -2.659 -3.278 1.00 1.00 C ATOM 1027 NE1 TRP A 70 68.315 -0.548 -3.806 1.00 1.00 N ATOM 1028 CE2 TRP A 70 68.785 -1.336 -2.775 1.00 1.00 C ATOM 1029 CE3 TRP A 70 69.134 -3.709 -2.443 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 69.255 -1.069 -1.487 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 69.607 -3.443 -1.150 1.00 1.00 C ATOM 1032 CH2 TRP A 70 69.668 -2.127 -0.671 1.00 1.00 C ATOM 0 H TRP A 70 70.243 -2.779 -5.398 1.00 1.00 H new ATOM 0 HA TRP A 70 69.125 -5.414 -4.950 1.00 1.00 H new ATOM 0 HB2 TRP A 70 67.659 -3.354 -6.562 1.00 1.00 H new ATOM 0 HB3 TRP A 70 67.090 -4.337 -5.228 1.00 1.00 H new ATOM 0 HD1 TRP A 70 67.567 -0.915 -5.837 1.00 1.00 H new ATOM 0 HE1 TRP A 70 68.238 0.468 -3.760 1.00 1.00 H new ATOM 0 HE3 TRP A 70 69.091 -4.728 -2.800 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 69.299 -0.053 -1.124 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 69.927 -4.258 -0.518 1.00 1.00 H new ATOM 0 HH2 TRP A 70 70.033 -1.931 0.326 1.00 1.00 H new ATOM 1043 N GLU A 71 70.253 -4.783 -7.861 1.00 1.00 N ATOM 1044 CA GLU A 71 70.411 -5.323 -9.243 1.00 1.00 C ATOM 1045 C GLU A 71 71.881 -5.232 -9.662 1.00 1.00 C ATOM 1046 O GLU A 71 72.231 -5.508 -10.792 1.00 1.00 O ATOM 1047 CB GLU A 71 69.558 -4.499 -10.211 1.00 1.00 C ATOM 1048 CG GLU A 71 68.080 -4.650 -9.847 1.00 1.00 C ATOM 1049 CD GLU A 71 67.214 -4.139 -11.000 1.00 1.00 C ATOM 1050 OE1 GLU A 71 67.767 -3.543 -11.910 1.00 1.00 O ATOM 1051 OE2 GLU A 71 66.014 -4.351 -10.954 1.00 1.00 O ATOM 0 H GLU A 71 70.940 -4.079 -7.591 1.00 1.00 H new ATOM 0 HA GLU A 71 70.089 -6.364 -9.265 1.00 1.00 H new ATOM 0 HB2 GLU A 71 69.849 -3.450 -10.165 1.00 1.00 H new ATOM 0 HB3 GLU A 71 69.727 -4.832 -11.235 1.00 1.00 H new ATOM 0 HG2 GLU A 71 67.850 -5.696 -9.642 1.00 1.00 H new ATOM 0 HG3 GLU A 71 67.860 -4.091 -8.938 1.00 1.00 H new ATOM 1058 N ALA A 72 72.743 -4.841 -8.763 1.00 1.00 N ATOM 1059 CA ALA A 72 74.188 -4.726 -9.115 1.00 1.00 C ATOM 1060 C ALA A 72 74.828 -6.117 -9.149 1.00 1.00 C ATOM 1061 O ALA A 72 75.590 -6.436 -10.040 1.00 1.00 O ATOM 1062 CB ALA A 72 74.900 -3.863 -8.070 1.00 1.00 C ATOM 0 H ALA A 72 72.510 -4.596 -7.801 1.00 1.00 H new ATOM 0 HA ALA A 72 74.282 -4.264 -10.098 1.00 1.00 H new ATOM 0 HB1 ALA A 72 75.956 -3.778 -8.326 1.00 1.00 H new ATOM 0 HB2 ALA A 72 74.451 -2.870 -8.051 1.00 1.00 H new ATOM 0 HB3 ALA A 72 74.801 -4.325 -7.088 1.00 1.00 H new ATOM 1068 N CYS A 73 74.528 -6.946 -8.187 1.00 1.00 N ATOM 1069 CA CYS A 73 75.127 -8.311 -8.171 1.00 1.00 C ATOM 1070 C CYS A 73 74.943 -8.961 -9.545 1.00 1.00 C ATOM 1071 O CYS A 73 73.918 -9.546 -9.836 1.00 1.00 O ATOM 1072 CB CYS A 73 74.436 -9.157 -7.095 1.00 1.00 C ATOM 1073 SG CYS A 73 75.670 -9.754 -5.913 1.00 1.00 S ATOM 0 H CYS A 73 73.896 -6.738 -7.414 1.00 1.00 H new ATOM 0 HA CYS A 73 76.191 -8.245 -7.945 1.00 1.00 H new ATOM 0 HB2 CYS A 73 73.681 -8.563 -6.580 1.00 1.00 H new ATOM 0 HB3 CYS A 73 73.920 -10.000 -7.555 1.00 1.00 H new ATOM 1078 N ASN A 74 75.930 -8.858 -10.393 1.00 1.00 N ATOM 1079 CA ASN A 74 75.821 -9.464 -11.750 1.00 1.00 C ATOM 1080 C ASN A 74 77.138 -9.246 -12.503 1.00 1.00 C ATOM 1081 O ASN A 74 77.407 -9.883 -13.502 1.00 1.00 O ATOM 1082 CB ASN A 74 74.665 -8.796 -12.516 1.00 1.00 C ATOM 1083 CG ASN A 74 73.669 -9.864 -12.973 1.00 1.00 C ATOM 1084 OD1 ASN A 74 73.402 -10.808 -12.256 1.00 1.00 O ATOM 1085 ND2 ASN A 74 73.104 -9.754 -14.144 1.00 1.00 N ATOM 0 H ASN A 74 76.810 -8.378 -10.203 1.00 1.00 H new ATOM 0 HA ASN A 74 75.624 -10.533 -11.665 1.00 1.00 H new ATOM 0 HB2 ASN A 74 74.165 -8.067 -11.878 1.00 1.00 H new ATOM 0 HB3 ASN A 74 75.052 -8.252 -13.378 1.00 1.00 H new ATOM 0 HD21 ASN A 74 72.438 -10.460 -14.457 1.00 1.00 H new ATOM 0 HD22 ASN A 74 73.328 -8.962 -14.746 1.00 1.00 H new ATOM 1092 N HIS A 75 77.958 -8.348 -12.029 1.00 1.00 N ATOM 1093 CA HIS A 75 79.256 -8.085 -12.713 1.00 1.00 C ATOM 1094 C HIS A 75 80.211 -7.396 -11.734 1.00 1.00 C ATOM 1095 O HIS A 75 80.810 -8.029 -10.887 1.00 1.00 O ATOM 1096 CB HIS A 75 79.016 -7.179 -13.924 1.00 1.00 C ATOM 1097 CG HIS A 75 80.320 -6.927 -14.630 1.00 1.00 C ATOM 1098 ND1 HIS A 75 81.060 -5.784 -14.810 1.00 1.00 N flip ATOM 1099 CD2 HIS A 75 81.025 -7.939 -15.264 1.00 1.00 C flip ATOM 1100 CE1 HIS A 75 82.204 -6.084 -15.544 1.00 1.00 C flip ATOM 1101 NE2 HIS A 75 82.135 -7.394 -15.792 1.00 1.00 N flip ATOM 0 H HIS A 75 77.785 -7.784 -11.197 1.00 1.00 H new ATOM 0 HA HIS A 75 79.695 -9.025 -13.047 1.00 1.00 H new ATOM 0 HB2 HIS A 75 78.306 -7.647 -14.606 1.00 1.00 H new ATOM 0 HB3 HIS A 75 78.576 -6.235 -13.603 1.00 1.00 H new ATOM 0 HD2 HIS A 75 80.735 -8.978 -15.323 1.00 1.00 H new ATOM 0 HE1 HIS A 75 82.983 -5.401 -15.849 1.00 1.00 H new ATOM 0 HE2 HIS A 75 82.837 -7.916 -16.317 1.00 1.00 H new ATOM 1110 N CYS A 76 80.356 -6.102 -11.840 1.00 1.00 N ATOM 1111 CA CYS A 76 81.268 -5.375 -10.911 1.00 1.00 C ATOM 1112 C CYS A 76 82.631 -6.070 -10.880 1.00 1.00 C ATOM 1113 O CYS A 76 83.209 -6.274 -9.831 1.00 1.00 O ATOM 1114 CB CYS A 76 80.665 -5.373 -9.504 1.00 1.00 C ATOM 1115 SG CYS A 76 79.261 -4.232 -9.451 1.00 1.00 S ATOM 0 H CYS A 76 79.883 -5.518 -12.529 1.00 1.00 H new ATOM 0 HA CYS A 76 81.393 -4.349 -11.256 1.00 1.00 H new ATOM 0 HB2 CYS A 76 80.341 -6.378 -9.234 1.00 1.00 H new ATOM 0 HB3 CYS A 76 81.418 -5.074 -8.775 1.00 1.00 H new ATOM 1120 N GLU A 77 83.149 -6.434 -12.020 1.00 1.00 N ATOM 1121 CA GLU A 77 84.475 -7.113 -12.052 1.00 1.00 C ATOM 1122 C GLU A 77 85.580 -6.100 -11.740 1.00 1.00 C ATOM 1123 O GLU A 77 86.552 -5.988 -12.461 1.00 1.00 O ATOM 1124 CB GLU A 77 84.707 -7.713 -13.441 1.00 1.00 C ATOM 1125 CG GLU A 77 85.852 -8.726 -13.376 1.00 1.00 C ATOM 1126 CD GLU A 77 85.361 -10.009 -12.704 1.00 1.00 C ATOM 1127 OE1 GLU A 77 84.443 -10.616 -13.230 1.00 1.00 O ATOM 1128 OE2 GLU A 77 85.912 -10.363 -11.674 1.00 1.00 O ATOM 0 H GLU A 77 82.712 -6.291 -12.930 1.00 1.00 H new ATOM 0 HA GLU A 77 84.493 -7.907 -11.305 1.00 1.00 H new ATOM 0 HB2 GLU A 77 83.798 -8.199 -13.795 1.00 1.00 H new ATOM 0 HB3 GLU A 77 84.946 -6.924 -14.154 1.00 1.00 H new ATOM 0 HG2 GLU A 77 86.215 -8.945 -14.380 1.00 1.00 H new ATOM 0 HG3 GLU A 77 86.690 -8.308 -12.818 1.00 1.00 H new ATOM 1135 N LEU A 78 85.440 -5.360 -10.670 1.00 1.00 N ATOM 1136 CA LEU A 78 86.482 -4.351 -10.308 1.00 1.00 C ATOM 1137 C LEU A 78 87.287 -4.861 -9.109 1.00 1.00 C ATOM 1138 O LEU A 78 88.480 -5.075 -9.196 1.00 1.00 O ATOM 1139 CB LEU A 78 85.802 -3.024 -9.944 1.00 1.00 C ATOM 1140 CG LEU A 78 85.654 -2.162 -11.199 1.00 1.00 C ATOM 1141 CD1 LEU A 78 84.481 -1.196 -11.020 1.00 1.00 C ATOM 1142 CD2 LEU A 78 86.940 -1.364 -11.423 1.00 1.00 C ATOM 0 H LEU A 78 84.648 -5.411 -10.030 1.00 1.00 H new ATOM 0 HA LEU A 78 87.151 -4.195 -11.155 1.00 1.00 H new ATOM 0 HB2 LEU A 78 84.823 -3.214 -9.504 1.00 1.00 H new ATOM 0 HB3 LEU A 78 86.391 -2.495 -9.195 1.00 1.00 H new ATOM 0 HG LEU A 78 85.468 -2.804 -12.060 1.00 1.00 H new ATOM 0 HD11 LEU A 78 84.376 -0.582 -11.914 1.00 1.00 H new ATOM 0 HD12 LEU A 78 83.564 -1.763 -10.859 1.00 1.00 H new ATOM 0 HD13 LEU A 78 84.666 -0.554 -10.159 1.00 1.00 H new ATOM 0 HD21 LEU A 78 86.836 -0.749 -12.317 1.00 1.00 H new ATOM 0 HD22 LEU A 78 87.125 -0.723 -10.561 1.00 1.00 H new ATOM 0 HD23 LEU A 78 87.777 -2.051 -11.550 1.00 1.00 H new ATOM 1154 N HIS A 79 86.644 -5.055 -7.990 1.00 1.00 N ATOM 1155 CA HIS A 79 87.374 -5.549 -6.788 1.00 1.00 C ATOM 1156 C HIS A 79 87.696 -7.035 -6.963 1.00 1.00 C ATOM 1157 O HIS A 79 86.841 -7.886 -6.821 1.00 1.00 O ATOM 1158 CB HIS A 79 86.499 -5.358 -5.545 1.00 1.00 C ATOM 1159 CG HIS A 79 86.576 -3.926 -5.093 1.00 1.00 C ATOM 1160 ND1 HIS A 79 87.626 -3.158 -4.650 1.00 1.00 N flip ATOM 1161 CD2 HIS A 79 85.462 -3.099 -5.062 1.00 1.00 C flip ATOM 1162 CE1 HIS A 79 87.168 -1.878 -4.350 1.00 1.00 C flip ATOM 1163 NE2 HIS A 79 85.861 -1.895 -4.616 1.00 1.00 N flip ATOM 0 H HIS A 79 85.646 -4.893 -7.856 1.00 1.00 H new ATOM 0 HA HIS A 79 88.301 -4.988 -6.669 1.00 1.00 H new ATOM 0 HB2 HIS A 79 85.466 -5.625 -5.770 1.00 1.00 H new ATOM 0 HB3 HIS A 79 86.833 -6.021 -4.747 1.00 1.00 H new ATOM 0 HD1 HIS A 79 88.591 -3.476 -4.556 1.00 1.00 H new ATOM 0 HD2 HIS A 79 84.456 -3.373 -5.345 1.00 1.00 H new ATOM 0 HE1 HIS A 79 87.749 -1.046 -3.980 1.00 1.00 H new ATOM 1172 N GLU A 80 88.926 -7.352 -7.270 1.00 1.00 N ATOM 1173 CA GLU A 80 89.309 -8.784 -7.456 1.00 1.00 C ATOM 1174 C GLU A 80 89.988 -9.293 -6.180 1.00 1.00 C ATOM 1175 O GLU A 80 90.093 -10.482 -5.953 1.00 1.00 O ATOM 1176 CB GLU A 80 90.279 -8.910 -8.645 1.00 1.00 C ATOM 1177 CG GLU A 80 90.350 -7.575 -9.390 1.00 1.00 C ATOM 1178 CD GLU A 80 91.252 -7.722 -10.617 1.00 1.00 C ATOM 1179 OE1 GLU A 80 92.459 -7.672 -10.449 1.00 1.00 O ATOM 1180 OE2 GLU A 80 90.720 -7.882 -11.703 1.00 1.00 O ATOM 0 H GLU A 80 89.683 -6.681 -7.400 1.00 1.00 H new ATOM 0 HA GLU A 80 88.418 -9.378 -7.658 1.00 1.00 H new ATOM 0 HB2 GLU A 80 91.270 -9.194 -8.291 1.00 1.00 H new ATOM 0 HB3 GLU A 80 89.944 -9.698 -9.320 1.00 1.00 H new ATOM 0 HG2 GLU A 80 89.351 -7.263 -9.695 1.00 1.00 H new ATOM 0 HG3 GLU A 80 90.739 -6.799 -8.731 1.00 1.00 H new ATOM 1187 N LEU A 81 90.451 -8.400 -5.350 1.00 1.00 N ATOM 1188 CA LEU A 81 91.127 -8.827 -4.092 1.00 1.00 C ATOM 1189 C LEU A 81 90.073 -9.165 -3.035 1.00 1.00 C ATOM 1190 O LEU A 81 90.079 -10.236 -2.460 1.00 1.00 O ATOM 1191 CB LEU A 81 92.018 -7.690 -3.585 1.00 1.00 C ATOM 1192 CG LEU A 81 93.307 -7.643 -4.408 1.00 1.00 C ATOM 1193 CD1 LEU A 81 92.961 -7.626 -5.898 1.00 1.00 C ATOM 1194 CD2 LEU A 81 94.091 -6.379 -4.053 1.00 1.00 C ATOM 0 H LEU A 81 90.391 -7.391 -5.488 1.00 1.00 H new ATOM 0 HA LEU A 81 91.738 -9.709 -4.286 1.00 1.00 H new ATOM 0 HB2 LEU A 81 91.491 -6.739 -3.662 1.00 1.00 H new ATOM 0 HB3 LEU A 81 92.253 -7.840 -2.531 1.00 1.00 H new ATOM 0 HG LEU A 81 93.912 -8.522 -4.186 1.00 1.00 H new ATOM 0 HD11 LEU A 81 93.879 -7.592 -6.484 1.00 1.00 H new ATOM 0 HD12 LEU A 81 92.401 -8.526 -6.152 1.00 1.00 H new ATOM 0 HD13 LEU A 81 92.356 -6.747 -6.121 1.00 1.00 H new ATOM 0 HD21 LEU A 81 95.010 -6.344 -4.639 1.00 1.00 H new ATOM 0 HD22 LEU A 81 93.485 -5.501 -4.276 1.00 1.00 H new ATOM 0 HD23 LEU A 81 94.338 -6.390 -2.991 1.00 1.00 H new ATOM 1206 N ALA A 82 89.167 -8.263 -2.774 1.00 1.00 N ATOM 1207 CA ALA A 82 88.113 -8.540 -1.757 1.00 1.00 C ATOM 1208 C ALA A 82 87.182 -9.636 -2.279 1.00 1.00 C ATOM 1209 O ALA A 82 86.408 -9.420 -3.190 1.00 1.00 O ATOM 1210 CB ALA A 82 87.306 -7.266 -1.498 1.00 1.00 C ATOM 0 H ALA A 82 89.111 -7.347 -3.220 1.00 1.00 H new ATOM 0 HA ALA A 82 88.579 -8.868 -0.828 1.00 1.00 H new ATOM 0 HB1 ALA A 82 86.535 -7.468 -0.754 1.00 1.00 H new ATOM 0 HB2 ALA A 82 87.969 -6.484 -1.129 1.00 1.00 H new ATOM 0 HB3 ALA A 82 86.838 -6.937 -2.426 1.00 1.00 H new ATOM 1216 N GLN A 83 87.254 -10.814 -1.714 1.00 1.00 N ATOM 1217 CA GLN A 83 86.375 -11.926 -2.183 1.00 1.00 C ATOM 1218 C GLN A 83 85.752 -12.635 -0.979 1.00 1.00 C ATOM 1219 O GLN A 83 85.632 -13.844 -0.953 1.00 1.00 O ATOM 1220 CB GLN A 83 87.207 -12.927 -2.990 1.00 1.00 C ATOM 1221 CG GLN A 83 87.971 -12.190 -4.092 1.00 1.00 C ATOM 1222 CD GLN A 83 88.222 -13.142 -5.263 1.00 1.00 C ATOM 1223 OE1 GLN A 83 88.555 -14.293 -5.065 1.00 1.00 O ATOM 1224 NE2 GLN A 83 88.077 -12.706 -6.485 1.00 1.00 N ATOM 0 H GLN A 83 87.884 -11.053 -0.948 1.00 1.00 H new ATOM 0 HA GLN A 83 85.582 -11.519 -2.811 1.00 1.00 H new ATOM 0 HB2 GLN A 83 87.906 -13.446 -2.334 1.00 1.00 H new ATOM 0 HB3 GLN A 83 86.558 -13.685 -3.428 1.00 1.00 H new ATOM 0 HG2 GLN A 83 87.400 -11.325 -4.429 1.00 1.00 H new ATOM 0 HG3 GLN A 83 88.918 -11.815 -3.704 1.00 1.00 H new ATOM 0 HE21 GLN A 83 87.797 -11.739 -6.652 1.00 1.00 H new ATOM 0 HE22 GLN A 83 88.243 -13.332 -7.273 1.00 1.00 H new ATOM 1233 N TYR A 84 85.346 -11.895 0.016 1.00 1.00 N ATOM 1234 CA TYR A 84 84.723 -12.531 1.212 1.00 1.00 C ATOM 1235 C TYR A 84 83.926 -11.478 1.985 1.00 1.00 C ATOM 1236 O TYR A 84 82.985 -11.790 2.688 1.00 1.00 O ATOM 1237 CB TYR A 84 85.816 -13.123 2.112 1.00 1.00 C ATOM 1238 CG TYR A 84 85.257 -14.301 2.873 1.00 1.00 C ATOM 1239 CD1 TYR A 84 85.099 -15.537 2.233 1.00 1.00 C ATOM 1240 CD2 TYR A 84 84.898 -14.159 4.219 1.00 1.00 C ATOM 1241 CE1 TYR A 84 84.581 -16.629 2.939 1.00 1.00 C ATOM 1242 CE2 TYR A 84 84.380 -15.251 4.924 1.00 1.00 C ATOM 1243 CZ TYR A 84 84.222 -16.487 4.285 1.00 1.00 C ATOM 1244 OH TYR A 84 83.711 -17.563 4.980 1.00 1.00 O ATOM 0 H TYR A 84 85.418 -10.878 0.053 1.00 1.00 H new ATOM 0 HA TYR A 84 84.054 -13.331 0.894 1.00 1.00 H new ATOM 0 HB2 TYR A 84 86.668 -13.437 1.509 1.00 1.00 H new ATOM 0 HB3 TYR A 84 86.179 -12.366 2.807 1.00 1.00 H new ATOM 0 HD1 TYR A 84 85.377 -15.647 1.195 1.00 1.00 H new ATOM 0 HD2 TYR A 84 85.021 -13.207 4.713 1.00 1.00 H new ATOM 0 HE1 TYR A 84 84.458 -17.582 2.445 1.00 1.00 H new ATOM 0 HE2 TYR A 84 84.102 -15.141 5.962 1.00 1.00 H new ATOM 0 HH TYR A 84 83.515 -17.294 5.902 1.00 1.00 H new ATOM 1254 N GLY A 85 84.292 -10.230 1.856 1.00 1.00 N ATOM 1255 CA GLY A 85 83.552 -9.156 2.578 1.00 1.00 C ATOM 1256 C GLY A 85 84.225 -8.872 3.922 1.00 1.00 C ATOM 1257 O GLY A 85 83.568 -8.609 4.910 1.00 1.00 O ATOM 0 H GLY A 85 85.071 -9.909 1.282 1.00 1.00 H new ATOM 0 HA2 GLY A 85 83.529 -8.249 1.974 1.00 1.00 H new ATOM 0 HA3 GLY A 85 82.517 -9.459 2.737 1.00 1.00 H new ATOM 1261 N ILE A 86 85.529 -8.917 3.972 1.00 1.00 N ATOM 1262 CA ILE A 86 86.230 -8.640 5.257 1.00 1.00 C ATOM 1263 C ILE A 86 86.334 -7.127 5.458 1.00 1.00 C ATOM 1264 O ILE A 86 86.869 -6.416 4.630 1.00 1.00 O ATOM 1265 CB ILE A 86 87.633 -9.254 5.223 1.00 1.00 C ATOM 1266 CG1 ILE A 86 88.286 -9.106 6.599 1.00 1.00 C ATOM 1267 CG2 ILE A 86 88.483 -8.530 4.177 1.00 1.00 C ATOM 1268 CD1 ILE A 86 89.483 -10.053 6.700 1.00 1.00 C ATOM 0 H ILE A 86 86.137 -9.133 3.182 1.00 1.00 H new ATOM 0 HA ILE A 86 85.668 -9.080 6.081 1.00 1.00 H new ATOM 0 HB ILE A 86 87.561 -10.310 4.964 1.00 1.00 H new ATOM 0 HG12 ILE A 86 88.610 -8.076 6.751 1.00 1.00 H new ATOM 0 HG13 ILE A 86 87.563 -9.332 7.383 1.00 1.00 H new ATOM 0 HG21 ILE A 86 89.481 -8.967 4.153 1.00 1.00 H new ATOM 0 HG22 ILE A 86 88.018 -8.633 3.196 1.00 1.00 H new ATOM 0 HG23 ILE A 86 88.556 -7.474 4.435 1.00 1.00 H new ATOM 0 HD11 ILE A 86 89.948 -9.948 7.680 1.00 1.00 H new ATOM 0 HD12 ILE A 86 89.146 -11.081 6.567 1.00 1.00 H new ATOM 0 HD13 ILE A 86 90.209 -9.806 5.925 1.00 1.00 H new ATOM 1280 N CYS A 87 85.822 -6.626 6.550 1.00 1.00 N ATOM 1281 CA CYS A 87 85.891 -5.158 6.796 1.00 1.00 C ATOM 1282 C CYS A 87 87.347 -4.750 7.039 1.00 1.00 C ATOM 1283 CB CYS A 87 85.042 -4.799 8.023 1.00 1.00 C ATOM 1284 SG CYS A 87 84.108 -6.255 8.556 1.00 1.00 S ATOM 0 H CYS A 87 85.360 -7.169 7.280 1.00 1.00 H new ATOM 0 HA CYS A 87 85.506 -4.626 5.926 1.00 1.00 H new ATOM 0 HB2 CYS A 87 85.683 -4.448 8.832 1.00 1.00 H new ATOM 0 HB3 CYS A 87 84.360 -3.984 7.781 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 57.937 -8.521 3.651 1.00 1.00 C HETATM 1291 O1G RCY A 110 62.870 -9.724 2.414 1.00 1.00 O HETATM 1292 O1H RCY A 110 58.496 -10.044 0.660 1.00 1.00 O HETATM 1293 O1J RCY A 110 57.747 -5.518 3.765 1.00 1.00 O HETATM 1294 C1L RCY A 110 61.746 -11.382 1.007 1.00 1.00 C HETATM 1295 C1M RCY A 110 60.737 -6.934 1.826 1.00 1.00 C HETATM 1296 C1P RCY A 110 61.843 -10.106 1.855 1.00 1.00 C HETATM 1297 C1Q RCY A 110 59.582 -10.322 1.167 1.00 1.00 C HETATM 1298 N1R RCY A 110 60.506 -9.370 1.918 1.00 1.00 N HETATM 1299 C1S RCY A 110 60.251 -11.684 1.159 1.00 1.00 C HETATM 1300 C1U RCY A 110 60.169 -8.025 2.565 1.00 1.00 C HETATM 1301 C1V RCY A 110 58.047 -7.935 1.187 1.00 1.00 C HETATM 1302 N1V RCY A 110 58.690 -6.247 2.921 1.00 1.00 N HETATM 1303 C1W RCY A 110 59.915 -5.693 2.197 1.00 1.00 C HETATM 1304 C1X RCY A 110 58.671 -7.727 2.568 1.00 1.00 C HETATM 1305 C1Y RCY A 110 59.494 -4.931 0.937 1.00 1.00 C HETATM 1306 C1Z RCY A 110 60.688 -4.779 3.147 1.00 1.00 C HETATM 0 H1ZB RCY A 110 60.927 -5.323 4.061 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 61.611 -4.453 2.667 1.00 1.00 H new HETATM 0 H1YB RCY A 110 60.382 -4.616 0.389 1.00 1.00 H new HETATM 0 H1YA RCY A 110 58.888 -5.580 0.305 1.00 1.00 H new HETATM 0 H1VB RCY A 110 58.090 -8.992 0.924 1.00 1.00 H new HETATM 0 H1VA RCY A 110 57.007 -7.608 1.204 1.00 1.00 H new HETATM 0 H1MA RCY A 110 61.788 -6.796 2.081 1.00 1.00 H new HETATM 0 H1LA RCY A 110 62.035 -11.217 -0.031 1.00 1.00 H new HETATM 0 H1CB RCY A 110 58.073 -9.588 3.475 1.00 1.00 H new HETATM 0 H1CA RCY A 110 58.340 -8.260 4.630 1.00 1.00 H new HETATM 0 H1Z RCY A 110 60.079 -3.909 3.391 1.00 1.00 H new HETATM 0 H1Y RCY A 110 58.912 -4.054 1.220 1.00 1.00 H new HETATM 0 H1V RCY A 110 58.598 -7.354 0.448 1.00 1.00 H new HETATM 0 H1U RCY A 110 60.564 -8.108 3.578 1.00 1.00 H new HETATM 0 H1S RCY A 110 60.049 -12.230 2.081 1.00 1.00 H new HETATM 0 H1M RCY A 110 60.692 -7.125 0.754 1.00 1.00 H new HETATM 0 H1L RCY A 110 62.375 -12.186 1.389 1.00 1.00 H new HETATM 0 H1C RCY A 110 56.874 -8.281 3.621 1.00 1.00 H new HETATM 1309 C1C RCY A 121 62.399 2.679 4.457 1.00 1.00 C HETATM 1310 O1G RCY A 121 65.982 3.878 8.488 1.00 1.00 O HETATM 1311 O1H RCY A 121 63.954 0.736 5.604 1.00 1.00 O HETATM 1312 O1J RCY A 121 62.163 5.400 3.188 1.00 1.00 O HETATM 1313 C1L RCY A 121 66.165 1.448 8.264 1.00 1.00 C HETATM 1314 C1M RCY A 121 64.616 5.128 6.123 1.00 1.00 C HETATM 1315 C1P RCY A 121 65.617 2.842 7.934 1.00 1.00 C HETATM 1316 C1Q RCY A 121 64.423 1.285 6.600 1.00 1.00 C HETATM 1317 N1R RCY A 121 64.561 2.785 6.831 1.00 1.00 N HETATM 1318 C1S RCY A 121 64.972 0.588 7.832 1.00 1.00 C HETATM 1319 C1U RCY A 121 63.827 3.930 6.132 1.00 1.00 C HETATM 1320 C1V RCY A 121 64.828 3.180 3.930 1.00 1.00 C HETATM 1321 N1V RCY A 121 63.174 5.044 4.179 1.00 1.00 N HETATM 1322 C1W RCY A 121 64.076 5.988 4.973 1.00 1.00 C HETATM 1323 C1X RCY A 121 63.564 3.651 4.653 1.00 1.00 C HETATM 1324 C1Y RCY A 121 65.223 6.496 4.096 1.00 1.00 C HETATM 1325 C1Z RCY A 121 63.240 7.155 5.498 1.00 1.00 C HETATM 0 H1ZA RCY A 121 63.856 7.784 6.141 1.00 1.00 H new HETATM 0 H1YB RCY A 121 65.902 7.099 4.699 1.00 1.00 H new HETATM 0 H1YA RCY A 121 65.765 5.648 3.678 1.00 1.00 H new HETATM 0 H1VB RCY A 121 65.127 2.206 4.318 1.00 1.00 H new HETATM 0 H1VA RCY A 121 64.627 3.099 2.862 1.00 1.00 H new HETATM 0 H1MA RCY A 121 64.535 5.655 7.074 1.00 1.00 H new HETATM 0 H1LA RCY A 121 67.072 1.213 7.707 1.00 1.00 H new HETATM 0 H1Z RCY A 121 62.872 7.745 4.659 1.00 1.00 H new HETATM 0 H1Y RCY A 121 64.820 7.104 3.286 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.631 3.899 4.095 1.00 1.00 H new HETATM 0 H1U RCY A 121 62.898 4.034 6.692 1.00 1.00 H new HETATM 0 H1S RCY A 121 64.222 0.527 8.620 1.00 1.00 H new HETATM 0 H1M RCY A 121 65.671 4.898 5.975 1.00 1.00 H new HETATM 0 H1L RCY A 121 66.402 1.332 9.322 1.00 1.00 H new HETATM 0 H1C RCY A 121 62.244 2.507 3.392 1.00 1.00 H new HETATM 1328 C1C RCY A 130 71.162 9.279 -7.907 1.00 1.00 C HETATM 1329 O1G RCY A 130 71.650 11.268 -7.749 1.00 1.00 O HETATM 1330 O1H RCY A 130 72.347 10.998 -3.087 1.00 1.00 O HETATM 1331 O1J RCY A 130 73.704 7.800 -7.256 1.00 1.00 O HETATM 1332 C1L RCY A 130 72.761 12.732 -6.135 1.00 1.00 C HETATM 1333 C1M RCY A 130 71.335 8.435 -4.308 1.00 1.00 C HETATM 1334 C1P RCY A 130 71.958 11.505 -6.582 1.00 1.00 C HETATM 1335 C1Q RCY A 130 72.105 11.422 -4.216 1.00 1.00 C HETATM 1336 N1R RCY A 130 71.586 10.613 -5.398 1.00 1.00 N HETATM 1337 C1S RCY A 130 72.269 12.855 -4.688 1.00 1.00 C HETATM 1338 C1U RCY A 130 70.877 9.257 -5.391 1.00 1.00 C HETATM 1339 C1V RCY A 130 70.242 7.219 -6.752 1.00 1.00 C HETATM 1340 N1V RCY A 130 72.593 7.967 -6.324 1.00 1.00 N HETATM 1341 C1W RCY A 130 72.595 7.722 -4.816 1.00 1.00 C HETATM 1342 C1X RCY A 130 71.175 8.425 -6.637 1.00 1.00 C HETATM 1343 C1Y RCY A 130 72.521 6.222 -4.518 1.00 1.00 C HETATM 1344 C1Z RCY A 130 73.860 8.330 -4.211 1.00 1.00 C HETATM 0 H1ZB RCY A 130 73.924 9.383 -4.484 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 73.824 8.239 -3.125 1.00 1.00 H new HETATM 0 H1YB RCY A 130 72.438 6.068 -3.442 1.00 1.00 H new HETATM 0 H1YA RCY A 130 71.649 5.795 -5.014 1.00 1.00 H new HETATM 0 H1VB RCY A 130 69.222 7.563 -6.921 1.00 1.00 H new HETATM 0 H1MA RCY A 130 71.557 9.039 -3.428 1.00 1.00 H new HETATM 0 H1LA RCY A 130 73.837 12.572 -6.198 1.00 1.00 H new HETATM 0 H1CB RCY A 130 70.180 9.736 -8.028 1.00 1.00 H new HETATM 0 H1CA RCY A 130 71.919 10.060 -7.828 1.00 1.00 H new HETATM 0 H1Z RCY A 130 74.735 7.802 -4.591 1.00 1.00 H new HETATM 0 H1Y RCY A 130 73.423 5.733 -4.886 1.00 1.00 H new HETATM 0 H1V RCY A 130 70.281 6.640 -5.830 1.00 1.00 H new HETATM 0 H1U RCY A 130 69.819 9.508 -5.320 1.00 1.00 H new HETATM 0 H1S RCY A 130 71.327 13.400 -4.635 1.00 1.00 H new HETATM 0 H1L RCY A 130 72.535 13.618 -6.729 1.00 1.00 H new HETATM 0 H1C RCY A 130 71.378 8.650 -8.771 1.00 1.00 H new HETATM 1347 C1C RCY A 138 84.594 0.855 -3.259 1.00 1.00 C HETATM 1348 O1G RCY A 138 84.944 2.243 0.714 1.00 1.00 O HETATM 1349 O1H RCY A 138 85.402 4.710 -3.287 1.00 1.00 O HETATM 1350 O1J RCY A 138 84.198 -0.721 -0.724 1.00 1.00 O HETATM 1351 C1L RCY A 138 86.667 3.761 -0.129 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.338 2.626 -0.921 1.00 1.00 C HETATM 1353 C1P RCY A 138 85.363 2.956 -0.196 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.643 4.014 -2.301 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.651 3.150 -1.534 1.00 1.00 N HETATM 1356 C1S RCY A 138 86.992 3.858 -1.624 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.291 2.619 -1.994 1.00 1.00 C HETATM 1358 C1V RCY A 138 82.064 0.733 -3.155 1.00 1.00 C HETATM 1359 N1V RCY A 138 83.432 0.472 -1.073 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.542 1.311 -0.159 1.00 1.00 C HETATM 1361 C1X RCY A 138 83.344 1.156 -2.430 1.00 1.00 C HETATM 1362 C1Y RCY A 138 81.201 0.610 0.074 1.00 1.00 C HETATM 1363 C1Z RCY A 138 83.266 1.545 1.167 1.00 1.00 C HETATM 0 H1YB RCY A 138 80.548 1.259 0.658 1.00 1.00 H new HETATM 0 H1YA RCY A 138 80.732 0.393 -0.886 1.00 1.00 H new HETATM 0 H1VB RCY A 138 81.986 1.272 -4.099 1.00 1.00 H new HETATM 0 H1VA RCY A 138 82.094 -0.339 -3.351 1.00 1.00 H new HETATM 0 H1MA RCY A 138 82.495 3.483 -0.267 1.00 1.00 H new HETATM 0 H1LA RCY A 138 86.531 4.739 0.333 1.00 1.00 H new HETATM 0 H1CB RCY A 138 84.596 1.478 -4.153 1.00 1.00 H new HETATM 0 H1CA RCY A 138 85.484 1.067 -2.666 1.00 1.00 H new HETATM 0 H1Y RCY A 138 81.367 -0.321 0.616 1.00 1.00 H new HETATM 0 H1V RCY A 138 81.200 0.964 -2.532 1.00 1.00 H new HETATM 0 H1U RCY A 138 83.011 3.274 -2.819 1.00 1.00 H new HETATM 0 H1S RCY A 138 87.511 2.966 -1.975 1.00 1.00 H new HETATM 0 H1M RCY A 138 81.320 2.700 -1.305 1.00 1.00 H new HETATM 0 H1L RCY A 138 87.446 3.248 0.435 1.00 1.00 H new HETATM 0 H1C RCY A 138 84.594 -0.196 -3.549 1.00 1.00 H new HETATM 1366 C1C RCY A 150 84.814 4.302 1.530 1.00 1.00 C HETATM 1367 O1G RCY A 150 83.303 2.737 6.599 1.00 1.00 O HETATM 1368 O1H RCY A 150 84.925 6.036 3.635 1.00 1.00 O HETATM 1369 O1J RCY A 150 83.657 1.990 -0.013 1.00 1.00 O HETATM 1370 C1L RCY A 150 83.883 5.098 6.876 1.00 1.00 C HETATM 1371 C1M RCY A 150 83.196 1.861 3.792 1.00 1.00 C HETATM 1372 C1P RCY A 150 83.740 3.777 6.109 1.00 1.00 C HETATM 1373 C1Q RCY A 150 84.744 5.340 4.633 1.00 1.00 C HETATM 1374 N1R RCY A 150 84.210 3.913 4.662 1.00 1.00 N HETATM 1375 C1S RCY A 150 85.012 5.748 6.070 1.00 1.00 C HETATM 1376 C1U RCY A 150 84.162 2.889 3.527 1.00 1.00 C HETATM 1377 C1V RCY A 150 82.420 4.313 2.364 1.00 1.00 C HETATM 1378 N1V RCY A 150 83.420 2.225 1.408 1.00 1.00 N HETATM 1379 C1W RCY A 150 82.834 1.253 2.431 1.00 1.00 C HETATM 1380 C1X RCY A 150 83.702 3.494 2.201 1.00 1.00 C HETATM 1381 C1Y RCY A 150 81.315 1.158 2.270 1.00 1.00 C HETATM 1382 C1Z RCY A 150 83.483 -0.119 2.245 1.00 1.00 C HETATM 0 H1ZB RCY A 150 84.567 -0.020 2.303 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 83.138 -0.794 3.029 1.00 1.00 H new HETATM 0 H1YB RCY A 150 80.904 0.527 3.059 1.00 1.00 H new HETATM 0 H1YA RCY A 150 80.879 2.155 2.338 1.00 1.00 H new HETATM 0 H1VB RCY A 150 82.624 5.189 2.980 1.00 1.00 H new HETATM 0 H1VA RCY A 150 82.065 4.633 1.384 1.00 1.00 H new HETATM 0 H1MA RCY A 150 83.607 1.104 4.460 1.00 1.00 H new HETATM 0 H1LA RCY A 150 82.967 5.689 6.863 1.00 1.00 H new HETATM 0 H1CB RCY A 150 85.121 5.114 2.188 1.00 1.00 H new HETATM 0 H1CA RCY A 150 85.667 3.653 1.332 1.00 1.00 H new HETATM 0 H1Z RCY A 150 83.207 -0.523 1.271 1.00 1.00 H new HETATM 0 H1Y RCY A 150 81.079 0.724 1.298 1.00 1.00 H new HETATM 0 H1V RCY A 150 81.656 3.702 2.845 1.00 1.00 H new HETATM 0 H1U RCY A 150 85.182 2.511 3.463 1.00 1.00 H new HETATM 0 H1S RCY A 150 85.989 5.400 6.405 1.00 1.00 H new HETATM 0 H1M RCY A 150 82.313 2.273 4.282 1.00 1.00 H new HETATM 0 H1L RCY A 150 84.150 4.947 7.922 1.00 1.00 H new HETATM 0 H1C RCY A 150 84.447 4.715 0.590 1.00 1.00 H new HETATM 1385 C1C RCY A 160 77.641 8.040 3.310 1.00 1.00 C HETATM 1386 O1G RCY A 160 75.353 8.092 -0.367 1.00 1.00 O HETATM 1387 O1H RCY A 160 73.716 6.492 3.763 1.00 1.00 O HETATM 1388 O1J RCY A 160 80.064 6.409 2.579 1.00 1.00 O HETATM 1389 C1L RCY A 160 73.217 8.345 0.799 1.00 1.00 C HETATM 1390 C1M RCY A 160 76.764 5.322 0.957 1.00 1.00 C HETATM 1391 C1P RCY A 160 74.643 7.817 0.599 1.00 1.00 C HETATM 1392 C1Q RCY A 160 73.799 6.824 2.582 1.00 1.00 C HETATM 1393 N1R RCY A 160 75.072 6.906 1.748 1.00 1.00 N HETATM 1394 C1S RCY A 160 72.646 7.230 1.683 1.00 1.00 C HETATM 1395 C1U RCY A 160 76.426 6.242 2.005 1.00 1.00 C HETATM 1396 C1V RCY A 160 77.553 8.149 0.778 1.00 1.00 C HETATM 1397 N1V RCY A 160 78.765 6.282 1.926 1.00 1.00 N HETATM 1398 C1W RCY A 160 78.288 5.159 1.007 1.00 1.00 C HETATM 1399 C1X RCY A 160 77.584 7.239 2.008 1.00 1.00 C HETATM 1400 C1Y RCY A 160 78.892 5.317 -0.391 1.00 1.00 C HETATM 1401 C1Z RCY A 160 78.683 3.813 1.615 1.00 1.00 C HETATM 0 H1ZB RCY A 160 78.294 3.744 2.631 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 78.268 3.005 1.012 1.00 1.00 H new HETATM 0 H1YB RCY A 160 78.477 4.558 -1.054 1.00 1.00 H new HETATM 0 H1YA RCY A 160 78.655 6.307 -0.780 1.00 1.00 H new HETATM 0 H1VB RCY A 160 76.673 8.791 0.822 1.00 1.00 H new HETATM 0 H1VA RCY A 160 78.451 8.766 0.759 1.00 1.00 H new HETATM 0 H1MA RCY A 160 76.265 4.364 1.104 1.00 1.00 H new HETATM 0 H1LA RCY A 160 73.197 9.318 1.290 1.00 1.00 H new HETATM 0 H1CB RCY A 160 76.712 8.595 3.437 1.00 1.00 H new HETATM 0 H1CA RCY A 160 77.774 7.359 4.151 1.00 1.00 H new HETATM 0 H1Z RCY A 160 79.769 3.728 1.636 1.00 1.00 H new HETATM 0 H1Y RCY A 160 79.974 5.198 -0.335 1.00 1.00 H new HETATM 0 H1V RCY A 160 77.513 7.539 -0.125 1.00 1.00 H new HETATM 0 H1U RCY A 160 76.309 5.760 2.976 1.00 1.00 H new HETATM 0 H1S RCY A 160 72.296 6.389 1.084 1.00 1.00 H new HETATM 0 H1M RCY A 160 76.445 5.703 -0.013 1.00 1.00 H new HETATM 0 H1L RCY A 160 72.675 8.451 -0.141 1.00 1.00 H new HETATM 0 H1C RCY A 160 78.478 8.737 3.272 1.00 1.00 H new HETATM 1404 C1C RCY A 168 72.938 2.635 0.815 1.00 1.00 C HETATM 1405 O1G RCY A 168 71.809 0.749 -1.039 1.00 1.00 O HETATM 1406 O1H RCY A 168 73.064 3.585 -4.601 1.00 1.00 O HETATM 1407 O1J RCY A 168 74.865 4.787 1.664 1.00 1.00 O HETATM 1408 C1L RCY A 168 71.052 0.963 -3.356 1.00 1.00 C HETATM 1409 C1M RCY A 168 74.466 4.295 -2.118 1.00 1.00 C HETATM 1410 C1P RCY A 168 71.879 1.335 -2.119 1.00 1.00 C HETATM 1411 C1Q RCY A 168 72.402 2.913 -3.811 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.800 2.522 -2.393 1.00 1.00 N HETATM 1413 C1S RCY A 168 71.031 2.318 -4.073 1.00 1.00 C HETATM 1414 C1U RCY A 168 73.853 3.162 -1.486 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.046 4.623 -0.480 1.00 1.00 C HETATM 1416 N1V RCY A 168 74.429 4.577 0.287 1.00 1.00 N HETATM 1417 C1W RCY A 168 75.045 5.154 -0.986 1.00 1.00 C HETATM 1418 C1X RCY A 168 73.259 3.734 -0.200 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.640 6.620 -1.161 1.00 1.00 C HETATM 1420 C1Z RCY A 168 76.566 5.020 -0.911 1.00 1.00 C HETATM 0 H1ZB RCY A 168 76.831 3.979 -0.727 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 77.007 5.345 -1.853 1.00 1.00 H new HETATM 0 H1YB RCY A 168 75.018 6.991 -2.114 1.00 1.00 H new HETATM 0 H1YA RCY A 168 73.553 6.702 -1.145 1.00 1.00 H new HETATM 0 H1VB RCY A 168 71.234 4.015 -0.880 1.00 1.00 H new HETATM 0 H1VA RCY A 168 71.721 5.098 0.446 1.00 1.00 H new HETATM 0 H1MA RCY A 168 75.249 3.980 -2.807 1.00 1.00 H new HETATM 0 H1LA RCY A 168 71.522 0.182 -3.953 1.00 1.00 H new HETATM 0 H1CB RCY A 168 72.216 1.941 0.384 1.00 1.00 H new HETATM 0 H1CA RCY A 168 73.851 2.097 1.070 1.00 1.00 H new HETATM 0 H1Z RCY A 168 76.946 5.640 -0.099 1.00 1.00 H new HETATM 0 H1Y RCY A 168 75.060 7.213 -0.349 1.00 1.00 H new HETATM 0 H1V RCY A 168 72.317 5.390 -1.206 1.00 1.00 H new HETATM 0 H1U RCY A 168 74.556 2.355 -1.279 1.00 1.00 H new HETATM 0 H1S RCY A 168 70.240 2.959 -3.685 1.00 1.00 H new HETATM 0 H1M RCY A 168 73.737 4.858 -2.700 1.00 1.00 H new HETATM 0 H1L RCY A 168 70.053 0.611 -3.100 1.00 1.00 H new HETATM 0 H1C RCY A 168 72.518 3.083 1.715 1.00 1.00 H new HETATM 1423 C1C RCY A 173 77.134 -5.220 -4.253 1.00 1.00 C HETATM 1424 O1G RCY A 173 75.090 -8.745 -0.908 1.00 1.00 O HETATM 1425 O1H RCY A 173 76.674 -7.067 -5.028 1.00 1.00 O HETATM 1426 O1J RCY A 173 74.330 -4.172 -4.585 1.00 1.00 O HETATM 1427 C1L RCY A 173 75.293 -9.715 -3.145 1.00 1.00 C HETATM 1428 C1M RCY A 173 75.196 -5.568 -1.120 1.00 1.00 C HETATM 1429 C1P RCY A 173 75.391 -8.604 -2.092 1.00 1.00 C HETATM 1430 C1Q RCY A 173 76.007 -7.652 -4.176 1.00 1.00 C HETATM 1431 N1R RCY A 173 75.910 -7.301 -2.697 1.00 1.00 N HETATM 1432 C1S RCY A 173 75.124 -8.865 -4.409 1.00 1.00 C HETATM 1433 C1U RCY A 173 76.248 -5.978 -2.006 1.00 1.00 C HETATM 1434 C1V RCY A 173 76.997 -3.581 -2.324 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.912 -4.561 -3.304 1.00 1.00 N HETATM 1436 C1W RCY A 173 74.183 -4.805 -1.984 1.00 1.00 C HETATM 1437 C1X RCY A 173 76.379 -4.813 -2.986 1.00 1.00 C HETATM 1438 C1Y RCY A 173 73.808 -3.475 -1.325 1.00 1.00 C HETATM 1439 C1Z RCY A 173 72.934 -5.646 -2.249 1.00 1.00 C HETATM 0 H1ZB RCY A 173 73.215 -6.561 -2.771 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 72.459 -5.901 -1.302 1.00 1.00 H new HETATM 0 H1YB RCY A 173 73.366 -3.665 -0.347 1.00 1.00 H new HETATM 0 H1YA RCY A 173 74.702 -2.863 -1.206 1.00 1.00 H new HETATM 0 H1VB RCY A 173 78.030 -3.794 -2.051 1.00 1.00 H new HETATM 0 H1VA RCY A 173 76.971 -2.743 -3.020 1.00 1.00 H new HETATM 0 H1MA RCY A 173 74.730 -6.430 -0.643 1.00 1.00 H new HETATM 0 H1LA RCY A 173 76.186 -10.339 -3.178 1.00 1.00 H new HETATM 0 H1CB RCY A 173 78.136 -5.558 -3.987 1.00 1.00 H new HETATM 0 H1CA RCY A 173 76.599 -6.028 -4.752 1.00 1.00 H new HETATM 0 H1Z RCY A 173 72.236 -5.077 -2.864 1.00 1.00 H new HETATM 0 H1Y RCY A 173 73.089 -2.948 -1.952 1.00 1.00 H new HETATM 0 H1V RCY A 173 76.430 -3.326 -1.428 1.00 1.00 H new HETATM 0 H1U RCY A 173 77.188 -6.177 -1.491 1.00 1.00 H new HETATM 0 H1S RCY A 173 74.083 -8.576 -4.556 1.00 1.00 H new HETATM 0 H1M RCY A 173 75.583 -4.934 -0.323 1.00 1.00 H new HETATM 0 H1L RCY A 173 74.446 -10.380 -2.973 1.00 1.00 H new HETATM 0 H1C RCY A 173 77.206 -4.364 -4.924 1.00 1.00 H new HETATM 1442 C1C RCY A 176 81.833 -1.656 -3.818 1.00 1.00 C HETATM 1443 O1G RCY A 176 80.138 -4.950 -4.439 1.00 1.00 O HETATM 1444 O1H RCY A 176 79.165 -1.747 -7.770 1.00 1.00 O HETATM 1445 O1J RCY A 176 80.624 -0.271 -1.432 1.00 1.00 O HETATM 1446 C1L RCY A 176 79.939 -5.074 -6.875 1.00 1.00 C HETATM 1447 C1M RCY A 176 78.139 -1.860 -3.882 1.00 1.00 C HETATM 1448 C1P RCY A 176 79.890 -4.387 -5.504 1.00 1.00 C HETATM 1449 C1Q RCY A 176 79.200 -2.788 -7.115 1.00 1.00 C HETATM 1450 N1R RCY A 176 79.495 -2.916 -5.626 1.00 1.00 N HETATM 1451 C1S RCY A 176 78.955 -4.188 -7.647 1.00 1.00 C HETATM 1452 C1U RCY A 176 79.413 -1.841 -4.540 1.00 1.00 C HETATM 1453 C1V RCY A 176 80.366 -3.498 -2.879 1.00 1.00 C HETATM 1454 N1V RCY A 176 79.868 -1.098 -2.368 1.00 1.00 N HETATM 1455 C1W RCY A 176 78.351 -1.186 -2.521 1.00 1.00 C HETATM 1456 C1X RCY A 176 80.416 -2.064 -3.409 1.00 1.00 C HETATM 1457 C1Y RCY A 176 77.748 -2.036 -1.399 1.00 1.00 C HETATM 1458 C1Z RCY A 176 77.763 0.225 -2.503 1.00 1.00 C HETATM 0 H1ZB RCY A 176 78.247 0.831 -3.269 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 76.693 0.176 -2.702 1.00 1.00 H new HETATM 0 H1YB RCY A 176 76.678 -2.158 -1.570 1.00 1.00 H new HETATM 0 H1YA RCY A 176 78.227 -3.015 -1.386 1.00 1.00 H new HETATM 0 H1VB RCY A 176 80.708 -4.184 -3.654 1.00 1.00 H new HETATM 0 H1VA RCY A 176 81.012 -3.586 -2.005 1.00 1.00 H new HETATM 0 H1MA RCY A 176 77.390 -1.327 -4.468 1.00 1.00 H new HETATM 0 H1LA RCY A 176 80.938 -5.066 -7.311 1.00 1.00 H new HETATM 0 H1CB RCY A 176 82.149 -2.248 -4.677 1.00 1.00 H new HETATM 0 H1CA RCY A 176 81.845 -0.599 -4.082 1.00 1.00 H new HETATM 0 H1Z RCY A 176 77.929 0.676 -1.525 1.00 1.00 H new HETATM 0 H1Y RCY A 176 77.909 -1.541 -0.441 1.00 1.00 H new HETATM 0 H1V RCY A 176 79.342 -3.747 -2.600 1.00 1.00 H new HETATM 0 H1U RCY A 176 79.606 -0.908 -5.070 1.00 1.00 H new HETATM 0 H1S RCY A 176 77.924 -4.501 -7.479 1.00 1.00 H new HETATM 0 H1M RCY A 176 77.780 -2.882 -3.759 1.00 1.00 H new HETATM 0 H1L RCY A 176 79.618 -6.115 -6.832 1.00 1.00 H new HETATM 0 H1C RCY A 176 82.516 -1.830 -2.987 1.00 1.00 H new HETATM 1461 C1C RCY A 187 82.131 -6.616 3.055 1.00 1.00 C HETATM 1462 O1G RCY A 187 79.822 -3.879 7.009 1.00 1.00 O HETATM 1463 O1H RCY A 187 83.902 -5.792 5.597 1.00 1.00 O HETATM 1464 O1J RCY A 187 81.770 -4.914 0.597 1.00 1.00 O HETATM 1465 C1L RCY A 187 81.733 -4.824 8.210 1.00 1.00 C HETATM 1466 C1M RCY A 187 81.197 -3.150 3.953 1.00 1.00 C HETATM 1467 C1P RCY A 187 80.917 -4.437 6.970 1.00 1.00 C HETATM 1468 C1Q RCY A 187 82.858 -5.571 6.208 1.00 1.00 C HETATM 1469 N1R RCY A 187 81.635 -4.831 5.680 1.00 1.00 N HETATM 1470 C1S RCY A 187 82.549 -5.987 7.635 1.00 1.00 C HETATM 1471 C1U RCY A 187 81.238 -4.558 4.228 1.00 1.00 C HETATM 1472 C1V RCY A 187 83.681 -4.678 3.575 1.00 1.00 C HETATM 1473 N1V RCY A 187 81.789 -4.390 1.959 1.00 1.00 N HETATM 1474 C1W RCY A 187 81.349 -3.007 2.434 1.00 1.00 C HETATM 1475 C1X RCY A 187 82.253 -5.100 3.223 1.00 1.00 C HETATM 1476 C1Y RCY A 187 82.414 -1.960 2.096 1.00 1.00 C HETATM 1477 C1Z RCY A 187 80.016 -2.652 1.774 1.00 1.00 C HETATM 0 H1ZB RCY A 187 79.289 -3.438 1.977 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 79.651 -1.707 2.176 1.00 1.00 H new HETATM 0 H1YB RCY A 187 82.123 -0.996 2.514 1.00 1.00 H new HETATM 0 H1YA RCY A 187 83.371 -2.265 2.520 1.00 1.00 H new HETATM 0 H1VB RCY A 187 83.980 -5.150 4.511 1.00 1.00 H new HETATM 0 H1VA RCY A 187 84.359 -4.989 2.780 1.00 1.00 H new HETATM 0 H1MA RCY A 187 80.258 -2.714 4.293 1.00 1.00 H new HETATM 0 H1LA RCY A 187 82.362 -4.009 8.566 1.00 1.00 H new HETATM 0 H1CB RCY A 187 82.305 -7.104 4.014 1.00 1.00 H new HETATM 0 H1CA RCY A 187 81.131 -6.863 2.699 1.00 1.00 H new HETATM 0 H1Z RCY A 187 80.157 -2.558 0.697 1.00 1.00 H new HETATM 0 H1Y RCY A 187 82.508 -1.873 1.014 1.00 1.00 H new HETATM 0 H1V RCY A 187 83.723 -3.594 3.685 1.00 1.00 H new HETATM 0 H1U RCY A 187 80.268 -5.043 4.120 1.00 1.00 H new HETATM 0 H1S RCY A 187 81.984 -6.919 7.663 1.00 1.00 H new HETATM 0 H1M RCY A 187 81.998 -2.628 4.475 1.00 1.00 H new HETATM 0 H1L RCY A 187 81.103 -5.129 9.046 1.00 1.00 H new HETATM 0 H1C RCY A 187 82.870 -6.963 2.332 1.00 1.00 H new