USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, 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 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CB : A 168 RCY C1C : A 61 GLY O :(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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.462 (180deg=-0.882) USER MOD Single : A 2 ASN :FLIP amide:sc= -2.79! C(o=-6.7!,f=-2.8!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 10:sc= 0.582! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 33:sc= 0.659 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -126:sc= -2.63! (180deg=-3.41!) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= -0.0109 (180deg=-0.228) USER MOD Single : A 32 GLN :FLIP amide:sc= -2.01! C(o=-5.7!,f=-2!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 66:sc= 0.712 USER MOD Single : A 37 GLN : amide:sc= -4.16! C(o=-4.2!,f=-3.7!) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.14) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 163:sc=-0.00854 (180deg=-0.197) USER MOD Single : A 44 LYS NZ :NH3+ -163:sc= -0.0712 (180deg=-0.514) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.843 F(o=-1.5,f=-0.84) USER MOD Single : A 57 MET CE :methyl 142:sc= -0.0027 (180deg=-2.36!) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 65 THR OG1 : rot 93:sc= -6.44! USER MOD Single : A 74 ASN : amide:sc= -4.76! C(o=-4.8!,f=-5.5!) USER MOD Single : A 75 HIS : no HE2:sc= -10.4! C(o=-10!,f=-12!) USER MOD Single : A 79 HIS : no HD1:sc= -0.772 X(o=-0.77,f=-0.55) USER MOD Single : A 83 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.7) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 58.493 -18.814 -3.289 1.00 1.00 N ATOM 2 CA MET A 1 58.961 -17.876 -2.230 1.00 1.00 C ATOM 3 C MET A 1 58.193 -16.557 -2.341 1.00 1.00 C ATOM 4 O MET A 1 58.421 -15.630 -1.589 1.00 1.00 O ATOM 5 CB MET A 1 60.458 -17.611 -2.408 1.00 1.00 C ATOM 6 CG MET A 1 61.184 -18.934 -2.661 1.00 1.00 C ATOM 7 SD MET A 1 60.835 -20.082 -1.306 1.00 1.00 S ATOM 8 CE MET A 1 62.219 -19.605 -0.242 1.00 1.00 C ATOM 0 H1 MET A 1 58.900 -19.757 -3.122 1.00 1.00 H new ATOM 0 H2 MET A 1 57.455 -18.876 -3.264 1.00 1.00 H new ATOM 0 H3 MET A 1 58.797 -18.465 -4.221 1.00 1.00 H new ATOM 0 HA MET A 1 58.784 -18.318 -1.249 1.00 1.00 H new ATOM 0 HB2 MET A 1 60.621 -16.929 -3.243 1.00 1.00 H new ATOM 0 HB3 MET A 1 60.861 -17.127 -1.518 1.00 1.00 H new ATOM 0 HG2 MET A 1 60.860 -19.364 -3.609 1.00 1.00 H new ATOM 0 HG3 MET A 1 62.258 -18.763 -2.740 1.00 1.00 H new ATOM 0 HE1 MET A 1 62.198 -20.200 0.671 1.00 1.00 H new ATOM 0 HE2 MET A 1 63.158 -19.779 -0.767 1.00 1.00 H new ATOM 0 HE3 MET A 1 62.135 -18.548 0.012 1.00 1.00 H new ATOM 17 N ASN A 2 57.284 -16.465 -3.273 1.00 1.00 N ATOM 18 CA ASN A 2 56.503 -15.206 -3.431 1.00 1.00 C ATOM 19 C ASN A 2 57.463 -14.014 -3.471 1.00 1.00 C ATOM 20 O ASN A 2 58.568 -14.112 -3.966 1.00 1.00 O ATOM 21 CB ASN A 2 55.543 -15.051 -2.248 1.00 1.00 C ATOM 22 CG ASN A 2 54.468 -14.019 -2.594 1.00 1.00 C ATOM 23 OD1 ASN A 2 54.597 -13.298 -3.674 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 53.501 -13.868 -1.875 1.00 1.00 N flip ATOM 0 H ASN A 2 57.049 -17.207 -3.932 1.00 1.00 H new ATOM 0 HA ASN A 2 55.932 -15.244 -4.359 1.00 1.00 H new ATOM 0 HB2 ASN A 2 55.080 -16.010 -2.014 1.00 1.00 H new ATOM 0 HB3 ASN A 2 56.091 -14.737 -1.360 1.00 1.00 H new ATOM 0 HD21 ASN A 2 53.400 -14.432 -1.031 1.00 1.00 H new ATOM 0 HD22 ASN A 2 52.790 -13.178 -2.115 1.00 1.00 H new ATOM 31 N LEU A 3 57.049 -12.889 -2.955 1.00 1.00 N ATOM 32 CA LEU A 3 57.940 -11.694 -2.965 1.00 1.00 C ATOM 33 C LEU A 3 58.985 -11.832 -1.854 1.00 1.00 C ATOM 34 O LEU A 3 59.810 -12.723 -1.877 1.00 1.00 O ATOM 35 CB LEU A 3 57.101 -10.433 -2.734 1.00 1.00 C ATOM 36 CG LEU A 3 57.953 -9.191 -3.003 1.00 1.00 C ATOM 37 CD1 LEU A 3 57.973 -8.900 -4.505 1.00 1.00 C ATOM 38 CD2 LEU A 3 57.356 -7.994 -2.260 1.00 1.00 C ATOM 0 H LEU A 3 56.134 -12.746 -2.528 1.00 1.00 H new ATOM 0 HA LEU A 3 58.445 -11.619 -3.928 1.00 1.00 H new ATOM 0 HB2 LEU A 3 56.231 -10.438 -3.390 1.00 1.00 H new ATOM 0 HB3 LEU A 3 56.728 -10.415 -1.710 1.00 1.00 H new ATOM 0 HG LEU A 3 58.971 -9.366 -2.654 1.00 1.00 H new ATOM 0 HD11 LEU A 3 58.580 -8.015 -4.696 1.00 1.00 H new ATOM 0 HD12 LEU A 3 58.397 -9.753 -5.035 1.00 1.00 H new ATOM 0 HD13 LEU A 3 56.956 -8.725 -4.855 1.00 1.00 H new ATOM 0 HD21 LEU A 3 57.962 -7.108 -2.451 1.00 1.00 H new ATOM 0 HD22 LEU A 3 56.338 -7.820 -2.609 1.00 1.00 H new ATOM 0 HD23 LEU A 3 57.342 -8.200 -1.190 1.00 1.00 H new ATOM 50 N GLU A 4 58.955 -10.958 -0.881 1.00 1.00 N ATOM 51 CA GLU A 4 59.946 -11.036 0.234 1.00 1.00 C ATOM 52 C GLU A 4 59.200 -11.198 1.564 1.00 1.00 C ATOM 53 O GLU A 4 58.080 -10.751 1.709 1.00 1.00 O ATOM 54 CB GLU A 4 60.772 -9.746 0.268 1.00 1.00 C ATOM 55 CG GLU A 4 61.830 -9.788 -0.837 1.00 1.00 C ATOM 56 CD GLU A 4 62.896 -10.827 -0.484 1.00 1.00 C ATOM 57 OE1 GLU A 4 63.763 -10.509 0.314 1.00 1.00 O ATOM 58 OE2 GLU A 4 62.827 -11.922 -1.017 1.00 1.00 O ATOM 0 H GLU A 4 58.285 -10.192 -0.811 1.00 1.00 H new ATOM 0 HA GLU A 4 60.607 -11.889 0.079 1.00 1.00 H new ATOM 0 HB2 GLU A 4 60.122 -8.882 0.131 1.00 1.00 H new ATOM 0 HB3 GLU A 4 61.251 -9.634 1.241 1.00 1.00 H new ATOM 0 HG2 GLU A 4 61.365 -10.038 -1.791 1.00 1.00 H new ATOM 0 HG3 GLU A 4 62.289 -8.806 -0.953 1.00 1.00 H new ATOM 65 N PRO A 5 59.816 -11.832 2.531 1.00 1.00 N ATOM 66 CA PRO A 5 59.200 -12.052 3.868 1.00 1.00 C ATOM 67 C PRO A 5 58.386 -10.836 4.341 1.00 1.00 C ATOM 68 O PRO A 5 58.938 -9.786 4.604 1.00 1.00 O ATOM 69 CB PRO A 5 60.412 -12.269 4.774 1.00 1.00 C ATOM 70 CG PRO A 5 61.450 -12.883 3.892 1.00 1.00 C ATOM 71 CD PRO A 5 61.169 -12.406 2.461 1.00 1.00 C ATOM 0 HA PRO A 5 58.494 -12.882 3.866 1.00 1.00 H new ATOM 0 HB2 PRO A 5 60.761 -11.328 5.198 1.00 1.00 H new ATOM 0 HB3 PRO A 5 60.167 -12.924 5.610 1.00 1.00 H new ATOM 0 HG2 PRO A 5 62.449 -12.584 4.208 1.00 1.00 H new ATOM 0 HG3 PRO A 5 61.410 -13.971 3.950 1.00 1.00 H new ATOM 0 HD2 PRO A 5 61.900 -11.665 2.138 1.00 1.00 H new ATOM 0 HD3 PRO A 5 61.215 -13.231 1.750 1.00 1.00 H new ATOM 79 N PRO A 6 57.085 -10.969 4.448 1.00 1.00 N ATOM 80 CA PRO A 6 56.205 -9.854 4.896 1.00 1.00 C ATOM 81 C PRO A 6 56.221 -9.683 6.419 1.00 1.00 C ATOM 82 O PRO A 6 56.415 -10.628 7.157 1.00 1.00 O ATOM 83 CB PRO A 6 54.818 -10.281 4.413 1.00 1.00 C ATOM 84 CG PRO A 6 54.856 -11.775 4.404 1.00 1.00 C ATOM 85 CD PRO A 6 56.312 -12.187 4.154 1.00 1.00 C ATOM 0 HA PRO A 6 56.526 -8.891 4.500 1.00 1.00 H new ATOM 0 HB2 PRO A 6 54.037 -9.910 5.077 1.00 1.00 H new ATOM 0 HB3 PRO A 6 54.607 -9.885 3.420 1.00 1.00 H new ATOM 0 HG2 PRO A 6 54.500 -12.175 5.353 1.00 1.00 H new ATOM 0 HG3 PRO A 6 54.204 -12.172 3.626 1.00 1.00 H new ATOM 0 HD2 PRO A 6 56.609 -13.013 4.800 1.00 1.00 H new ATOM 0 HD3 PRO A 6 56.462 -12.516 3.126 1.00 1.00 H new ATOM 93 N LYS A 7 56.020 -8.484 6.893 1.00 1.00 N ATOM 94 CA LYS A 7 56.027 -8.256 8.366 1.00 1.00 C ATOM 95 C LYS A 7 55.331 -6.928 8.680 1.00 1.00 C ATOM 96 O LYS A 7 54.143 -6.776 8.474 1.00 1.00 O ATOM 97 CB LYS A 7 57.473 -8.212 8.866 1.00 1.00 C ATOM 98 CG LYS A 7 58.326 -7.399 7.890 1.00 1.00 C ATOM 99 CD LYS A 7 59.664 -7.053 8.547 1.00 1.00 C ATOM 100 CE LYS A 7 60.457 -8.337 8.799 1.00 1.00 C ATOM 101 NZ LYS A 7 61.887 -7.997 9.044 1.00 1.00 N ATOM 0 H LYS A 7 55.851 -7.654 6.325 1.00 1.00 H new ATOM 0 HA LYS A 7 55.497 -9.067 8.865 1.00 1.00 H new ATOM 0 HB2 LYS A 7 57.512 -7.765 9.859 1.00 1.00 H new ATOM 0 HB3 LYS A 7 57.869 -9.224 8.956 1.00 1.00 H new ATOM 0 HG2 LYS A 7 58.494 -7.969 6.976 1.00 1.00 H new ATOM 0 HG3 LYS A 7 57.802 -6.487 7.605 1.00 1.00 H new ATOM 0 HD2 LYS A 7 60.234 -6.382 7.905 1.00 1.00 H new ATOM 0 HD3 LYS A 7 59.494 -6.527 9.487 1.00 1.00 H new ATOM 0 HE2 LYS A 7 60.046 -8.868 9.657 1.00 1.00 H new ATOM 0 HE3 LYS A 7 60.372 -9.004 7.941 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 62.427 -8.869 9.215 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 62.275 -7.508 8.212 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 61.959 -7.376 9.876 1.00 1.00 H new ATOM 115 N ALA A 8 56.059 -5.966 9.176 1.00 1.00 N ATOM 116 CA ALA A 8 55.438 -4.651 9.501 1.00 1.00 C ATOM 117 C ALA A 8 56.525 -3.668 9.937 1.00 1.00 C ATOM 118 O ALA A 8 57.535 -4.051 10.494 1.00 1.00 O ATOM 119 CB ALA A 8 54.429 -4.831 10.637 1.00 1.00 C ATOM 0 H ALA A 8 57.058 -6.034 9.370 1.00 1.00 H new ATOM 0 HA ALA A 8 54.928 -4.262 8.620 1.00 1.00 H new ATOM 0 HB1 ALA A 8 53.974 -3.870 10.875 1.00 1.00 H new ATOM 0 HB2 ALA A 8 53.654 -5.532 10.328 1.00 1.00 H new ATOM 0 HB3 ALA A 8 54.939 -5.220 11.518 1.00 1.00 H new ATOM 125 N GLU A 9 56.329 -2.402 9.689 1.00 1.00 N ATOM 126 CA GLU A 9 57.353 -1.397 10.090 1.00 1.00 C ATOM 127 C GLU A 9 56.732 0.001 10.064 1.00 1.00 C ATOM 128 O GLU A 9 55.716 0.228 9.437 1.00 1.00 O ATOM 129 CB GLU A 9 58.530 -1.452 9.114 1.00 1.00 C ATOM 130 CG GLU A 9 59.700 -0.642 9.678 1.00 1.00 C ATOM 131 CD GLU A 9 60.944 -0.877 8.819 1.00 1.00 C ATOM 132 OE1 GLU A 9 60.786 -1.294 7.683 1.00 1.00 O ATOM 133 OE2 GLU A 9 62.033 -0.635 9.312 1.00 1.00 O ATOM 0 H GLU A 9 55.504 -2.020 9.226 1.00 1.00 H new ATOM 0 HA GLU A 9 57.706 -1.618 11.097 1.00 1.00 H new ATOM 0 HB2 GLU A 9 58.834 -2.486 8.953 1.00 1.00 H new ATOM 0 HB3 GLU A 9 58.231 -1.053 8.145 1.00 1.00 H new ATOM 0 HG2 GLU A 9 59.449 0.419 9.691 1.00 1.00 H new ATOM 0 HG3 GLU A 9 59.896 -0.936 10.709 1.00 1.00 H new ATOM 140 N CYS A 10 57.333 0.941 10.741 1.00 1.00 N ATOM 141 CA CYS A 10 56.776 2.323 10.754 1.00 1.00 C ATOM 142 C CYS A 10 56.544 2.793 9.316 1.00 1.00 C ATOM 143 O CYS A 10 55.462 2.666 8.779 1.00 1.00 O ATOM 144 CB CYS A 10 57.764 3.264 11.449 1.00 1.00 C ATOM 145 SG CYS A 10 57.443 3.266 13.230 1.00 1.00 S ATOM 0 H CYS A 10 58.186 0.812 11.286 1.00 1.00 H new ATOM 0 HA CYS A 10 55.829 2.329 11.294 1.00 1.00 H new ATOM 0 HB2 CYS A 10 58.787 2.943 11.253 1.00 1.00 H new ATOM 0 HB3 CYS A 10 57.664 4.273 11.049 1.00 1.00 H new ATOM 150 N ARG A 11 57.551 3.338 8.690 1.00 1.00 N ATOM 151 CA ARG A 11 57.384 3.817 7.289 1.00 1.00 C ATOM 152 C ARG A 11 58.759 4.012 6.646 1.00 1.00 C ATOM 153 O ARG A 11 58.937 3.796 5.463 1.00 1.00 O ATOM 154 CB ARG A 11 56.628 5.149 7.293 1.00 1.00 C ATOM 155 CG ARG A 11 57.318 6.131 8.242 1.00 1.00 C ATOM 156 CD ARG A 11 56.309 6.639 9.274 1.00 1.00 C ATOM 157 NE ARG A 11 56.989 7.574 10.214 1.00 1.00 N ATOM 158 CZ ARG A 11 57.319 8.772 9.817 1.00 1.00 C ATOM 159 NH1 ARG A 11 57.054 9.152 8.597 1.00 1.00 N ATOM 160 NH2 ARG A 11 57.914 9.591 10.641 1.00 1.00 N ATOM 0 H ARG A 11 58.481 3.472 9.088 1.00 1.00 H new ATOM 0 HA ARG A 11 56.820 3.079 6.718 1.00 1.00 H new ATOM 0 HB2 ARG A 11 56.597 5.563 6.285 1.00 1.00 H new ATOM 0 HB3 ARG A 11 55.596 4.991 7.605 1.00 1.00 H new ATOM 0 HG2 ARG A 11 58.153 5.642 8.744 1.00 1.00 H new ATOM 0 HG3 ARG A 11 57.731 6.968 7.679 1.00 1.00 H new ATOM 0 HD2 ARG A 11 55.484 7.146 8.773 1.00 1.00 H new ATOM 0 HD3 ARG A 11 55.881 5.801 9.824 1.00 1.00 H new ATOM 0 HE ARG A 11 57.196 7.277 11.168 1.00 1.00 H new ATOM 0 HH11 ARG A 11 56.589 8.512 7.953 1.00 1.00 H new ATOM 0 HH12 ARG A 11 57.312 10.089 8.287 1.00 1.00 H new ATOM 0 HH21 ARG A 11 58.121 9.294 11.595 1.00 1.00 H new ATOM 0 HH22 ARG A 11 58.172 10.528 10.331 1.00 1.00 H new ATOM 174 N SER A 12 59.733 4.418 7.413 1.00 1.00 N ATOM 175 CA SER A 12 61.093 4.626 6.841 1.00 1.00 C ATOM 176 C SER A 12 62.131 4.592 7.965 1.00 1.00 C ATOM 177 O SER A 12 63.298 4.855 7.753 1.00 1.00 O ATOM 178 CB SER A 12 61.149 5.982 6.137 1.00 1.00 C ATOM 179 OG SER A 12 62.503 6.400 6.030 1.00 1.00 O ATOM 0 H SER A 12 59.646 4.615 8.410 1.00 1.00 H new ATOM 0 HA SER A 12 61.309 3.835 6.123 1.00 1.00 H new ATOM 0 HB2 SER A 12 60.699 5.909 5.147 1.00 1.00 H new ATOM 0 HB3 SER A 12 60.572 6.719 6.696 1.00 1.00 H new ATOM 0 HG SER A 12 63.095 5.661 6.283 1.00 1.00 H new ATOM 185 N ALA A 13 61.716 4.269 9.159 1.00 1.00 N ATOM 186 CA ALA A 13 62.679 4.216 10.295 1.00 1.00 C ATOM 187 C ALA A 13 63.389 5.565 10.428 1.00 1.00 C ATOM 188 O ALA A 13 64.290 5.726 11.228 1.00 1.00 O ATOM 189 CB ALA A 13 63.713 3.118 10.037 1.00 1.00 C ATOM 0 H ALA A 13 60.751 4.039 9.397 1.00 1.00 H new ATOM 0 HA ALA A 13 62.140 3.998 11.217 1.00 1.00 H new ATOM 0 HB1 ALA A 13 64.417 3.079 10.868 1.00 1.00 H new ATOM 0 HB2 ALA A 13 63.208 2.157 9.945 1.00 1.00 H new ATOM 0 HB3 ALA A 13 64.252 3.335 9.115 1.00 1.00 H new ATOM 195 N THR A 14 62.992 6.537 9.652 1.00 1.00 N ATOM 196 CA THR A 14 63.648 7.873 9.740 1.00 1.00 C ATOM 197 C THR A 14 62.989 8.835 8.748 1.00 1.00 C ATOM 198 O THR A 14 62.912 10.024 8.983 1.00 1.00 O ATOM 199 CB THR A 14 65.135 7.736 9.403 1.00 1.00 C ATOM 200 OG1 THR A 14 65.650 9.003 9.018 1.00 1.00 O ATOM 201 CG2 THR A 14 65.311 6.741 8.255 1.00 1.00 C ATOM 0 H THR A 14 62.244 6.464 8.963 1.00 1.00 H new ATOM 0 HA THR A 14 63.538 8.263 10.752 1.00 1.00 H new ATOM 0 HB THR A 14 65.674 7.375 10.279 1.00 1.00 H new ATOM 0 HG1 THR A 14 66.602 8.918 8.803 1.00 1.00 H new ATOM 0 HG21 THR A 14 66.370 6.645 8.016 1.00 1.00 H new ATOM 0 HG22 THR A 14 64.916 5.769 8.552 1.00 1.00 H new ATOM 0 HG23 THR A 14 64.772 7.099 7.378 1.00 1.00 H new ATOM 209 N ARG A 15 62.516 8.329 7.641 1.00 1.00 N ATOM 210 CA ARG A 15 61.864 9.211 6.630 1.00 1.00 C ATOM 211 C ARG A 15 62.853 10.287 6.175 1.00 1.00 C ATOM 212 O ARG A 15 63.428 10.203 5.108 1.00 1.00 O ATOM 213 CB ARG A 15 60.629 9.878 7.246 1.00 1.00 C ATOM 214 CG ARG A 15 59.800 10.540 6.144 1.00 1.00 C ATOM 215 CD ARG A 15 58.814 9.523 5.566 1.00 1.00 C ATOM 216 NE ARG A 15 58.271 10.036 4.276 1.00 1.00 N ATOM 217 CZ ARG A 15 57.163 9.543 3.793 1.00 1.00 C ATOM 218 NH1 ARG A 15 56.532 8.601 4.438 1.00 1.00 N ATOM 219 NH2 ARG A 15 56.688 9.992 2.663 1.00 1.00 N ATOM 0 H ARG A 15 62.553 7.340 7.393 1.00 1.00 H new ATOM 0 HA ARG A 15 61.560 8.611 5.772 1.00 1.00 H new ATOM 0 HB2 ARG A 15 60.027 9.137 7.772 1.00 1.00 H new ATOM 0 HB3 ARG A 15 60.934 10.622 7.982 1.00 1.00 H new ATOM 0 HG2 ARG A 15 59.260 11.398 6.546 1.00 1.00 H new ATOM 0 HG3 ARG A 15 60.455 10.915 5.357 1.00 1.00 H new ATOM 0 HD2 ARG A 15 59.312 8.566 5.409 1.00 1.00 H new ATOM 0 HD3 ARG A 15 58.001 9.347 6.271 1.00 1.00 H new ATOM 0 HE ARG A 15 58.765 10.772 3.771 1.00 1.00 H new ATOM 0 HH11 ARG A 15 56.904 8.249 5.320 1.00 1.00 H new ATOM 0 HH12 ARG A 15 55.666 8.216 4.060 1.00 1.00 H new ATOM 0 HH21 ARG A 15 57.183 10.727 2.158 1.00 1.00 H new ATOM 0 HH22 ARG A 15 55.822 9.607 2.285 1.00 1.00 H new ATOM 233 N VAL A 16 63.057 11.299 6.974 1.00 1.00 N ATOM 234 CA VAL A 16 64.009 12.376 6.583 1.00 1.00 C ATOM 235 C VAL A 16 64.272 13.286 7.787 1.00 1.00 C ATOM 236 O VAL A 16 64.066 14.481 7.736 1.00 1.00 O ATOM 237 CB VAL A 16 63.406 13.188 5.429 1.00 1.00 C ATOM 238 CG1 VAL A 16 62.105 13.846 5.892 1.00 1.00 C ATOM 239 CG2 VAL A 16 64.397 14.271 4.997 1.00 1.00 C ATOM 0 H VAL A 16 62.606 11.426 7.880 1.00 1.00 H new ATOM 0 HA VAL A 16 64.952 11.937 6.258 1.00 1.00 H new ATOM 0 HB VAL A 16 63.199 12.526 4.588 1.00 1.00 H new ATOM 0 HG11 VAL A 16 61.677 14.423 5.072 1.00 1.00 H new ATOM 0 HG12 VAL A 16 61.398 13.076 6.202 1.00 1.00 H new ATOM 0 HG13 VAL A 16 62.311 14.509 6.733 1.00 1.00 H new ATOM 0 HG21 VAL A 16 63.970 14.849 4.177 1.00 1.00 H new ATOM 0 HG22 VAL A 16 64.603 14.933 5.839 1.00 1.00 H new ATOM 0 HG23 VAL A 16 65.325 13.804 4.667 1.00 1.00 H new ATOM 249 N MET A 17 64.730 12.726 8.874 1.00 1.00 N ATOM 250 CA MET A 17 65.007 13.558 10.079 1.00 1.00 C ATOM 251 C MET A 17 65.877 14.752 9.683 1.00 1.00 C ATOM 252 O MET A 17 65.533 15.891 9.927 1.00 1.00 O ATOM 253 CB MET A 17 65.741 12.711 11.123 1.00 1.00 C ATOM 254 CG MET A 17 65.932 13.528 12.402 1.00 1.00 C ATOM 255 SD MET A 17 64.317 13.889 13.135 1.00 1.00 S ATOM 256 CE MET A 17 64.808 15.373 14.047 1.00 1.00 C ATOM 0 H MET A 17 64.924 11.730 8.979 1.00 1.00 H new ATOM 0 HA MET A 17 64.068 13.918 10.499 1.00 1.00 H new ATOM 0 HB2 MET A 17 65.172 11.807 11.338 1.00 1.00 H new ATOM 0 HB3 MET A 17 66.708 12.394 10.734 1.00 1.00 H new ATOM 0 HG2 MET A 17 66.549 12.975 13.110 1.00 1.00 H new ATOM 0 HG3 MET A 17 66.457 14.456 12.178 1.00 1.00 H new ATOM 0 HE1 MET A 17 63.947 15.771 14.584 1.00 1.00 H new ATOM 0 HE2 MET A 17 65.594 15.120 14.758 1.00 1.00 H new ATOM 0 HE3 MET A 17 65.179 16.123 13.349 1.00 1.00 H new ATOM 266 N GLY A 18 67.004 14.502 9.073 1.00 1.00 N ATOM 267 CA GLY A 18 67.895 15.625 8.663 1.00 1.00 C ATOM 268 C GLY A 18 68.746 16.065 9.855 1.00 1.00 C ATOM 269 O GLY A 18 69.419 17.075 9.810 1.00 1.00 O ATOM 0 H GLY A 18 67.346 13.569 8.841 1.00 1.00 H new ATOM 0 HA2 GLY A 18 68.538 15.311 7.840 1.00 1.00 H new ATOM 0 HA3 GLY A 18 67.299 16.462 8.300 1.00 1.00 H new ATOM 273 N GLY A 19 68.722 15.314 10.922 1.00 1.00 N ATOM 274 CA GLY A 19 69.531 15.690 12.116 1.00 1.00 C ATOM 275 C GLY A 19 71.004 15.807 11.718 1.00 1.00 C ATOM 276 O GLY A 19 71.336 15.858 10.551 1.00 1.00 O ATOM 0 H GLY A 19 68.178 14.457 11.019 1.00 1.00 H new ATOM 0 HA2 GLY A 19 69.177 16.637 12.525 1.00 1.00 H new ATOM 0 HA3 GLY A 19 69.413 14.941 12.899 1.00 1.00 H new ATOM 280 N PRO A 20 71.879 15.850 12.687 1.00 1.00 N ATOM 281 CA PRO A 20 73.346 15.964 12.443 1.00 1.00 C ATOM 282 C PRO A 20 73.839 14.955 11.400 1.00 1.00 C ATOM 283 O PRO A 20 74.941 15.053 10.899 1.00 1.00 O ATOM 284 CB PRO A 20 73.966 15.672 13.813 1.00 1.00 C ATOM 285 CG PRO A 20 72.913 16.039 14.806 1.00 1.00 C ATOM 286 CD PRO A 20 71.565 15.797 14.124 1.00 1.00 C ATOM 0 HA PRO A 20 73.618 16.941 12.044 1.00 1.00 H new ATOM 0 HB2 PRO A 20 74.244 14.622 13.904 1.00 1.00 H new ATOM 0 HB3 PRO A 20 74.873 16.256 13.967 1.00 1.00 H new ATOM 0 HG2 PRO A 20 73.004 15.435 15.709 1.00 1.00 H new ATOM 0 HG3 PRO A 20 73.012 17.081 15.109 1.00 1.00 H new ATOM 0 HD2 PRO A 20 71.143 14.832 14.405 1.00 1.00 H new ATOM 0 HD3 PRO A 20 70.835 16.557 14.401 1.00 1.00 H new ATOM 294 N CYS A 21 73.029 13.986 11.070 1.00 1.00 N ATOM 295 CA CYS A 21 73.449 12.973 10.060 1.00 1.00 C ATOM 296 C CYS A 21 73.101 13.477 8.658 1.00 1.00 C ATOM 297 O CYS A 21 71.951 13.700 8.336 1.00 1.00 O ATOM 298 CB CYS A 21 72.719 11.654 10.325 1.00 1.00 C ATOM 299 SG CYS A 21 73.577 10.308 9.472 1.00 1.00 S ATOM 0 H CYS A 21 72.094 13.852 11.456 1.00 1.00 H new ATOM 0 HA CYS A 21 74.525 12.812 10.132 1.00 1.00 H new ATOM 0 HB2 CYS A 21 72.682 11.455 11.396 1.00 1.00 H new ATOM 0 HB3 CYS A 21 71.688 11.720 9.978 1.00 1.00 H new ATOM 304 N THR A 22 74.085 13.659 7.821 1.00 1.00 N ATOM 305 CA THR A 22 73.808 14.148 6.443 1.00 1.00 C ATOM 306 C THR A 22 72.862 13.166 5.736 1.00 1.00 C ATOM 307 O THR A 22 73.150 11.989 5.644 1.00 1.00 O ATOM 308 CB THR A 22 75.123 14.235 5.663 1.00 1.00 C ATOM 309 OG1 THR A 22 75.693 12.938 5.553 1.00 1.00 O ATOM 310 CG2 THR A 22 76.094 15.161 6.397 1.00 1.00 C ATOM 0 H THR A 22 75.068 13.490 8.033 1.00 1.00 H new ATOM 0 HA THR A 22 73.344 15.133 6.490 1.00 1.00 H new ATOM 0 HB THR A 22 74.929 14.633 4.667 1.00 1.00 H new ATOM 0 HG1 THR A 22 74.978 12.271 5.492 1.00 1.00 H new ATOM 0 HG21 THR A 22 77.029 15.222 5.841 1.00 1.00 H new ATOM 0 HG22 THR A 22 75.656 16.156 6.480 1.00 1.00 H new ATOM 0 HG23 THR A 22 76.290 14.766 7.394 1.00 1.00 H new ATOM 318 N PRO A 23 71.741 13.635 5.237 1.00 1.00 N ATOM 319 CA PRO A 23 70.756 12.764 4.533 1.00 1.00 C ATOM 320 C PRO A 23 71.197 12.434 3.102 1.00 1.00 C ATOM 321 O PRO A 23 72.359 12.535 2.762 1.00 1.00 O ATOM 322 CB PRO A 23 69.479 13.606 4.527 1.00 1.00 C ATOM 323 CG PRO A 23 69.955 15.022 4.535 1.00 1.00 C ATOM 324 CD PRO A 23 71.290 15.036 5.287 1.00 1.00 C ATOM 0 HA PRO A 23 70.637 11.797 5.022 1.00 1.00 H new ATOM 0 HB2 PRO A 23 68.872 13.398 3.646 1.00 1.00 H new ATOM 0 HB3 PRO A 23 68.860 13.392 5.398 1.00 1.00 H new ATOM 0 HG2 PRO A 23 70.080 15.393 3.518 1.00 1.00 H new ATOM 0 HG3 PRO A 23 69.229 15.671 5.024 1.00 1.00 H new ATOM 0 HD2 PRO A 23 72.009 15.704 4.812 1.00 1.00 H new ATOM 0 HD3 PRO A 23 71.166 15.379 6.314 1.00 1.00 H new ATOM 332 N ARG A 24 70.277 12.039 2.264 1.00 1.00 N ATOM 333 CA ARG A 24 70.643 11.702 0.859 1.00 1.00 C ATOM 334 C ARG A 24 71.472 12.838 0.257 1.00 1.00 C ATOM 335 O ARG A 24 72.678 12.749 0.146 1.00 1.00 O ATOM 336 CB ARG A 24 69.370 11.507 0.033 1.00 1.00 C ATOM 337 CG ARG A 24 68.421 10.561 0.771 1.00 1.00 C ATOM 338 CD ARG A 24 67.310 10.108 -0.179 1.00 1.00 C ATOM 339 NE ARG A 24 66.130 9.663 0.613 1.00 1.00 N ATOM 340 CZ ARG A 24 64.944 9.652 0.068 1.00 1.00 C ATOM 341 NH1 ARG A 24 64.793 10.031 -1.172 1.00 1.00 N ATOM 342 NH2 ARG A 24 63.910 9.262 0.762 1.00 1.00 N ATOM 0 H ARG A 24 69.288 11.935 2.492 1.00 1.00 H new ATOM 0 HA ARG A 24 71.228 10.783 0.849 1.00 1.00 H new ATOM 0 HB2 ARG A 24 68.883 12.468 -0.137 1.00 1.00 H new ATOM 0 HB3 ARG A 24 69.619 11.098 -0.946 1.00 1.00 H new ATOM 0 HG2 ARG A 24 68.970 9.696 1.144 1.00 1.00 H new ATOM 0 HG3 ARG A 24 67.991 11.063 1.637 1.00 1.00 H new ATOM 0 HD2 ARG A 24 67.029 10.926 -0.843 1.00 1.00 H new ATOM 0 HD3 ARG A 24 67.666 9.294 -0.810 1.00 1.00 H new ATOM 0 HE ARG A 24 66.249 9.367 1.582 1.00 1.00 H new ATOM 0 HH11 ARG A 24 65.601 10.335 -1.714 1.00 1.00 H new ATOM 0 HH12 ARG A 24 63.867 10.023 -1.599 1.00 1.00 H new ATOM 0 HH21 ARG A 24 64.028 8.966 1.731 1.00 1.00 H new ATOM 0 HH22 ARG A 24 62.983 9.254 0.336 1.00 1.00 H new ATOM 356 N LYS A 25 70.833 13.904 -0.137 1.00 1.00 N ATOM 357 CA LYS A 25 71.582 15.044 -0.736 1.00 1.00 C ATOM 358 C LYS A 25 72.333 14.553 -1.978 1.00 1.00 C ATOM 359 O LYS A 25 72.159 13.433 -2.416 1.00 1.00 O ATOM 360 CB LYS A 25 72.581 15.597 0.295 1.00 1.00 C ATOM 361 CG LYS A 25 72.378 17.106 0.449 1.00 1.00 C ATOM 362 CD LYS A 25 71.166 17.370 1.344 1.00 1.00 C ATOM 363 CE LYS A 25 70.945 18.878 1.474 1.00 1.00 C ATOM 364 NZ LYS A 25 69.796 19.135 2.386 1.00 1.00 N ATOM 0 H LYS A 25 69.824 14.035 -0.070 1.00 1.00 H new ATOM 0 HA LYS A 25 70.888 15.835 -1.021 1.00 1.00 H new ATOM 0 HB2 LYS A 25 72.440 15.101 1.255 1.00 1.00 H new ATOM 0 HB3 LYS A 25 73.602 15.388 -0.025 1.00 1.00 H new ATOM 0 HG2 LYS A 25 73.269 17.561 0.882 1.00 1.00 H new ATOM 0 HG3 LYS A 25 72.228 17.565 -0.528 1.00 1.00 H new ATOM 0 HD2 LYS A 25 70.279 16.897 0.922 1.00 1.00 H new ATOM 0 HD3 LYS A 25 71.325 16.929 2.328 1.00 1.00 H new ATOM 0 HE2 LYS A 25 71.845 19.356 1.862 1.00 1.00 H new ATOM 0 HE3 LYS A 25 70.750 19.313 0.494 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 69.646 20.160 2.475 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 68.939 18.692 1.998 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 70.000 18.733 3.323 1.00 1.00 H new ATOM 378 N GLY A 26 73.166 15.380 -2.549 1.00 1.00 N ATOM 379 CA GLY A 26 73.923 14.955 -3.761 1.00 1.00 C ATOM 380 C GLY A 26 73.054 15.165 -5.007 1.00 1.00 C ATOM 381 O GLY A 26 72.152 14.398 -5.276 1.00 1.00 O ATOM 0 H GLY A 26 73.355 16.330 -2.229 1.00 1.00 H new ATOM 0 HA2 GLY A 26 74.845 15.530 -3.847 1.00 1.00 H new ATOM 0 HA3 GLY A 26 74.208 13.906 -3.676 1.00 1.00 H new ATOM 385 N PRO A 27 73.324 16.198 -5.761 1.00 1.00 N ATOM 386 CA PRO A 27 72.552 16.516 -6.999 1.00 1.00 C ATOM 387 C PRO A 27 72.574 15.349 -7.999 1.00 1.00 C ATOM 388 O PRO A 27 73.143 14.310 -7.730 1.00 1.00 O ATOM 389 CB PRO A 27 73.261 17.753 -7.574 1.00 1.00 C ATOM 390 CG PRO A 27 74.038 18.337 -6.441 1.00 1.00 C ATOM 391 CD PRO A 27 74.393 17.177 -5.512 1.00 1.00 C ATOM 0 HA PRO A 27 71.497 16.694 -6.791 1.00 1.00 H new ATOM 0 HB2 PRO A 27 73.918 17.479 -8.399 1.00 1.00 H new ATOM 0 HB3 PRO A 27 72.540 18.471 -7.965 1.00 1.00 H new ATOM 0 HG2 PRO A 27 74.939 18.833 -6.804 1.00 1.00 H new ATOM 0 HG3 PRO A 27 73.450 19.089 -5.915 1.00 1.00 H new ATOM 0 HD2 PRO A 27 75.376 16.765 -5.742 1.00 1.00 H new ATOM 0 HD3 PRO A 27 74.415 17.491 -4.468 1.00 1.00 H new ATOM 399 N PRO A 28 71.953 15.516 -9.139 1.00 1.00 N ATOM 400 CA PRO A 28 71.895 14.453 -10.188 1.00 1.00 C ATOM 401 C PRO A 28 73.283 13.921 -10.556 1.00 1.00 C ATOM 402 O PRO A 28 74.291 14.513 -10.227 1.00 1.00 O ATOM 403 CB PRO A 28 71.248 15.155 -11.388 1.00 1.00 C ATOM 404 CG PRO A 28 70.475 16.291 -10.806 1.00 1.00 C ATOM 405 CD PRO A 28 71.233 16.731 -9.552 1.00 1.00 C ATOM 0 HA PRO A 28 71.339 13.580 -9.847 1.00 1.00 H new ATOM 0 HB2 PRO A 28 72.002 15.511 -12.090 1.00 1.00 H new ATOM 0 HB3 PRO A 28 70.596 14.476 -11.937 1.00 1.00 H new ATOM 0 HG2 PRO A 28 70.394 17.112 -11.519 1.00 1.00 H new ATOM 0 HG3 PRO A 28 69.459 15.983 -10.558 1.00 1.00 H new ATOM 0 HD2 PRO A 28 71.919 17.551 -9.765 1.00 1.00 H new ATOM 0 HD3 PRO A 28 70.553 17.078 -8.774 1.00 1.00 H new ATOM 413 N LYS A 29 73.334 12.805 -11.238 1.00 1.00 N ATOM 414 CA LYS A 29 74.646 12.212 -11.641 1.00 1.00 C ATOM 415 C LYS A 29 75.225 11.404 -10.476 1.00 1.00 C ATOM 416 O LYS A 29 74.773 11.503 -9.353 1.00 1.00 O ATOM 417 CB LYS A 29 75.626 13.327 -12.044 1.00 1.00 C ATOM 418 CG LYS A 29 76.612 12.796 -13.086 1.00 1.00 C ATOM 419 CD LYS A 29 76.184 13.262 -14.479 1.00 1.00 C ATOM 420 CE LYS A 29 74.891 12.550 -14.881 1.00 1.00 C ATOM 421 NZ LYS A 29 75.071 11.077 -14.743 1.00 1.00 N ATOM 0 H LYS A 29 72.515 12.274 -11.536 1.00 1.00 H new ATOM 0 HA LYS A 29 74.493 11.552 -12.495 1.00 1.00 H new ATOM 0 HB2 LYS A 29 75.077 14.178 -12.449 1.00 1.00 H new ATOM 0 HB3 LYS A 29 76.166 13.684 -11.167 1.00 1.00 H new ATOM 0 HG2 LYS A 29 77.618 13.153 -12.865 1.00 1.00 H new ATOM 0 HG3 LYS A 29 76.645 11.707 -13.049 1.00 1.00 H new ATOM 0 HD2 LYS A 29 76.033 14.342 -14.482 1.00 1.00 H new ATOM 0 HD3 LYS A 29 76.970 13.048 -15.203 1.00 1.00 H new ATOM 0 HE2 LYS A 29 74.067 12.887 -14.252 1.00 1.00 H new ATOM 0 HE3 LYS A 29 74.630 12.800 -15.909 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 74.827 10.612 -15.640 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 76.062 10.869 -14.504 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 74.451 10.721 -13.988 1.00 1.00 H new ATOM 435 N CYS A 30 76.220 10.597 -10.743 1.00 1.00 N ATOM 436 CA CYS A 30 76.834 9.768 -9.665 1.00 1.00 C ATOM 437 C CYS A 30 78.230 10.304 -9.336 1.00 1.00 C ATOM 438 O CYS A 30 79.041 9.624 -8.740 1.00 1.00 O ATOM 439 CB CYS A 30 76.948 8.320 -10.145 1.00 1.00 C ATOM 440 SG CYS A 30 77.283 7.239 -8.733 1.00 1.00 S ATOM 0 H CYS A 30 76.635 10.477 -11.667 1.00 1.00 H new ATOM 0 HA CYS A 30 76.210 9.812 -8.773 1.00 1.00 H new ATOM 0 HB2 CYS A 30 76.025 8.016 -10.638 1.00 1.00 H new ATOM 0 HB3 CYS A 30 77.747 8.232 -10.881 1.00 1.00 H new ATOM 445 N LYS A 31 78.518 11.518 -9.723 1.00 1.00 N ATOM 446 CA LYS A 31 79.864 12.096 -9.437 1.00 1.00 C ATOM 447 C LYS A 31 80.944 11.057 -9.749 1.00 1.00 C ATOM 448 O LYS A 31 81.685 10.637 -8.883 1.00 1.00 O ATOM 449 CB LYS A 31 79.949 12.494 -7.960 1.00 1.00 C ATOM 450 CG LYS A 31 81.131 13.443 -7.751 1.00 1.00 C ATOM 451 CD LYS A 31 80.683 14.882 -8.015 1.00 1.00 C ATOM 452 CE LYS A 31 81.835 15.841 -7.707 1.00 1.00 C ATOM 453 NZ LYS A 31 82.927 15.640 -8.700 1.00 1.00 N ATOM 0 H LYS A 31 77.879 12.135 -10.225 1.00 1.00 H new ATOM 0 HA LYS A 31 80.018 12.978 -10.059 1.00 1.00 H new ATOM 0 HB2 LYS A 31 79.023 12.977 -7.649 1.00 1.00 H new ATOM 0 HB3 LYS A 31 80.069 11.606 -7.340 1.00 1.00 H new ATOM 0 HG2 LYS A 31 81.510 13.350 -6.733 1.00 1.00 H new ATOM 0 HG3 LYS A 31 81.948 13.176 -8.421 1.00 1.00 H new ATOM 0 HD2 LYS A 31 80.372 14.992 -9.054 1.00 1.00 H new ATOM 0 HD3 LYS A 31 79.819 15.124 -7.396 1.00 1.00 H new ATOM 0 HE2 LYS A 31 81.483 16.872 -7.741 1.00 1.00 H new ATOM 0 HE3 LYS A 31 82.209 15.665 -6.698 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 83.587 16.442 -8.657 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 83.437 14.760 -8.482 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 82.520 15.577 -9.655 1.00 1.00 H new ATOM 467 N GLN A 32 81.033 10.633 -10.980 1.00 1.00 N ATOM 468 CA GLN A 32 82.058 9.616 -11.350 1.00 1.00 C ATOM 469 C GLN A 32 83.462 10.195 -11.142 1.00 1.00 C ATOM 470 O GLN A 32 83.699 11.366 -11.358 1.00 1.00 O ATOM 471 CB GLN A 32 81.880 9.218 -12.823 1.00 1.00 C ATOM 472 CG GLN A 32 80.415 9.394 -13.229 1.00 1.00 C ATOM 473 CD GLN A 32 80.188 10.827 -13.712 1.00 1.00 C ATOM 474 OE1 GLN A 32 79.399 11.614 -13.033 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 80.733 11.236 -14.718 1.00 1.00 N flip ATOM 0 H GLN A 32 80.439 10.948 -11.747 1.00 1.00 H new ATOM 0 HA GLN A 32 81.935 8.736 -10.718 1.00 1.00 H new ATOM 0 HB2 GLN A 32 82.520 9.833 -13.456 1.00 1.00 H new ATOM 0 HB3 GLN A 32 82.187 8.182 -12.970 1.00 1.00 H new ATOM 0 HG2 GLN A 32 80.158 8.688 -14.019 1.00 1.00 H new ATOM 0 HG3 GLN A 32 79.763 9.177 -12.383 1.00 1.00 H new ATOM 0 HE21 GLN A 32 81.350 10.622 -15.249 1.00 1.00 H new ATOM 0 HE22 GLN A 32 80.574 12.194 -15.031 1.00 1.00 H new ATOM 484 N ARG A 33 84.394 9.378 -10.731 1.00 1.00 N ATOM 485 CA ARG A 33 85.783 9.875 -10.518 1.00 1.00 C ATOM 486 C ARG A 33 86.697 8.703 -10.152 1.00 1.00 C ATOM 487 O ARG A 33 87.287 8.671 -9.091 1.00 1.00 O ATOM 488 CB ARG A 33 85.797 10.905 -9.385 1.00 1.00 C ATOM 489 CG ARG A 33 85.016 10.361 -8.187 1.00 1.00 C ATOM 490 CD ARG A 33 85.415 11.128 -6.926 1.00 1.00 C ATOM 491 NE ARG A 33 84.195 11.448 -6.132 1.00 1.00 N ATOM 492 CZ ARG A 33 84.265 12.290 -5.138 1.00 1.00 C ATOM 493 NH1 ARG A 33 85.405 12.852 -4.838 1.00 1.00 N ATOM 494 NH2 ARG A 33 83.197 12.570 -4.443 1.00 1.00 N ATOM 0 H ARG A 33 84.253 8.387 -10.534 1.00 1.00 H new ATOM 0 HA ARG A 33 86.140 10.343 -11.435 1.00 1.00 H new ATOM 0 HB2 ARG A 33 86.824 11.125 -9.093 1.00 1.00 H new ATOM 0 HB3 ARG A 33 85.355 11.841 -9.726 1.00 1.00 H new ATOM 0 HG2 ARG A 33 83.945 10.461 -8.362 1.00 1.00 H new ATOM 0 HG3 ARG A 33 85.220 9.298 -8.059 1.00 1.00 H new ATOM 0 HD2 ARG A 33 86.105 10.532 -6.328 1.00 1.00 H new ATOM 0 HD3 ARG A 33 85.937 12.046 -7.196 1.00 1.00 H new ATOM 0 HE ARG A 33 83.305 11.008 -6.366 1.00 1.00 H new ATOM 0 HH11 ARG A 33 86.240 12.633 -5.381 1.00 1.00 H new ATOM 0 HH12 ARG A 33 85.460 13.510 -4.061 1.00 1.00 H new ATOM 0 HH21 ARG A 33 82.307 12.130 -4.677 1.00 1.00 H new ATOM 0 HH22 ARG A 33 83.252 13.228 -3.666 1.00 1.00 H new ATOM 508 N GLN A 34 86.820 7.740 -11.026 1.00 1.00 N ATOM 509 CA GLN A 34 87.698 6.571 -10.733 1.00 1.00 C ATOM 510 C GLN A 34 87.256 5.908 -9.425 1.00 1.00 C ATOM 511 O GLN A 34 86.385 6.397 -8.733 1.00 1.00 O ATOM 512 CB GLN A 34 89.148 7.044 -10.600 1.00 1.00 C ATOM 513 CG GLN A 34 89.466 8.040 -11.717 1.00 1.00 C ATOM 514 CD GLN A 34 90.935 8.458 -11.626 1.00 1.00 C ATOM 515 OE1 GLN A 34 91.822 7.647 -11.808 1.00 1.00 O ATOM 516 NE2 GLN A 34 91.233 9.698 -11.350 1.00 1.00 N ATOM 0 H GLN A 34 86.350 7.713 -11.931 1.00 1.00 H new ATOM 0 HA GLN A 34 87.622 5.850 -11.547 1.00 1.00 H new ATOM 0 HB2 GLN A 34 89.301 7.512 -9.627 1.00 1.00 H new ATOM 0 HB3 GLN A 34 89.826 6.192 -10.654 1.00 1.00 H new ATOM 0 HG2 GLN A 34 89.265 7.589 -12.689 1.00 1.00 H new ATOM 0 HG3 GLN A 34 88.822 8.915 -11.632 1.00 1.00 H new ATOM 0 HE21 GLN A 34 90.489 10.379 -11.197 1.00 1.00 H new ATOM 0 HE22 GLN A 34 92.209 9.986 -11.287 1.00 1.00 H new ATOM 525 N THR A 35 87.855 4.799 -9.079 1.00 1.00 N ATOM 526 CA THR A 35 87.476 4.102 -7.815 1.00 1.00 C ATOM 527 C THR A 35 88.708 3.409 -7.231 1.00 1.00 C ATOM 528 O THR A 35 88.716 2.214 -7.015 1.00 1.00 O ATOM 529 CB THR A 35 86.397 3.056 -8.107 1.00 1.00 C ATOM 530 OG1 THR A 35 86.944 2.029 -8.921 1.00 1.00 O ATOM 531 CG2 THR A 35 85.225 3.718 -8.835 1.00 1.00 C ATOM 0 H THR A 35 88.592 4.345 -9.619 1.00 1.00 H new ATOM 0 HA THR A 35 87.090 4.830 -7.102 1.00 1.00 H new ATOM 0 HB THR A 35 86.043 2.627 -7.170 1.00 1.00 H new ATOM 0 HG1 THR A 35 87.634 1.546 -8.419 1.00 1.00 H new ATOM 0 HG21 THR A 35 84.458 2.972 -9.042 1.00 1.00 H new ATOM 0 HG22 THR A 35 84.806 4.506 -8.209 1.00 1.00 H new ATOM 0 HG23 THR A 35 85.576 4.148 -9.773 1.00 1.00 H new ATOM 539 N ARG A 36 89.751 4.151 -6.975 1.00 1.00 N ATOM 540 CA ARG A 36 90.983 3.537 -6.405 1.00 1.00 C ATOM 541 C ARG A 36 91.427 2.367 -7.286 1.00 1.00 C ATOM 542 O ARG A 36 92.094 2.548 -8.285 1.00 1.00 O ATOM 543 CB ARG A 36 90.694 3.031 -4.989 1.00 1.00 C ATOM 544 CG ARG A 36 90.261 4.203 -4.106 1.00 1.00 C ATOM 545 CD ARG A 36 89.633 3.668 -2.818 1.00 1.00 C ATOM 546 NE ARG A 36 88.280 3.119 -3.116 1.00 1.00 N ATOM 547 CZ ARG A 36 87.406 2.980 -2.157 1.00 1.00 C ATOM 548 NH1 ARG A 36 87.718 3.320 -0.936 1.00 1.00 N ATOM 549 NH2 ARG A 36 86.221 2.499 -2.418 1.00 1.00 N ATOM 0 H ARG A 36 89.803 5.157 -7.136 1.00 1.00 H new ATOM 0 HA ARG A 36 91.776 4.284 -6.368 1.00 1.00 H new ATOM 0 HB2 ARG A 36 89.911 2.273 -5.015 1.00 1.00 H new ATOM 0 HB3 ARG A 36 91.583 2.557 -4.572 1.00 1.00 H new ATOM 0 HG2 ARG A 36 91.120 4.831 -3.870 1.00 1.00 H new ATOM 0 HG3 ARG A 36 89.545 4.829 -4.639 1.00 1.00 H new ATOM 0 HD2 ARG A 36 90.266 2.892 -2.388 1.00 1.00 H new ATOM 0 HD3 ARG A 36 89.559 4.465 -2.078 1.00 1.00 H new ATOM 0 HE ARG A 36 88.037 2.852 -4.070 1.00 1.00 H new ATOM 0 HH11 ARG A 36 88.645 3.694 -0.732 1.00 1.00 H new ATOM 0 HH12 ARG A 36 87.035 3.212 -0.186 1.00 1.00 H new ATOM 0 HH21 ARG A 36 85.978 2.232 -3.372 1.00 1.00 H new ATOM 0 HH22 ARG A 36 85.538 2.390 -1.668 1.00 1.00 H new ATOM 563 N GLN A 37 91.063 1.166 -6.924 1.00 1.00 N ATOM 564 CA GLN A 37 91.465 -0.016 -7.739 1.00 1.00 C ATOM 565 C GLN A 37 90.776 -1.268 -7.188 1.00 1.00 C ATOM 566 O GLN A 37 90.380 -2.147 -7.928 1.00 1.00 O ATOM 567 CB GLN A 37 92.988 -0.193 -7.667 1.00 1.00 C ATOM 568 CG GLN A 37 93.477 -0.926 -8.917 1.00 1.00 C ATOM 569 CD GLN A 37 92.705 -2.238 -9.076 1.00 1.00 C ATOM 570 OE1 GLN A 37 92.931 -3.181 -8.345 1.00 1.00 O ATOM 571 NE2 GLN A 37 91.796 -2.337 -10.007 1.00 1.00 N ATOM 0 H GLN A 37 90.504 0.953 -6.098 1.00 1.00 H new ATOM 0 HA GLN A 37 91.168 0.136 -8.777 1.00 1.00 H new ATOM 0 HB2 GLN A 37 93.474 0.779 -7.589 1.00 1.00 H new ATOM 0 HB3 GLN A 37 93.257 -0.756 -6.774 1.00 1.00 H new ATOM 0 HG2 GLN A 37 93.335 -0.299 -9.798 1.00 1.00 H new ATOM 0 HG3 GLN A 37 94.545 -1.128 -8.838 1.00 1.00 H new ATOM 0 HE21 GLN A 37 91.606 -1.545 -10.621 1.00 1.00 H new ATOM 0 HE22 GLN A 37 91.275 -3.207 -10.121 1.00 1.00 H new ATOM 580 N CYS A 38 90.633 -1.355 -5.894 1.00 1.00 N ATOM 581 CA CYS A 38 89.972 -2.548 -5.292 1.00 1.00 C ATOM 582 C CYS A 38 90.657 -3.821 -5.794 1.00 1.00 C ATOM 583 O CYS A 38 90.256 -4.404 -6.782 1.00 1.00 O ATOM 584 CB CYS A 38 88.495 -2.571 -5.692 1.00 1.00 C ATOM 585 SG CYS A 38 87.562 -1.451 -4.619 1.00 1.00 S ATOM 0 H CYS A 38 90.946 -0.650 -5.226 1.00 1.00 H new ATOM 0 HA CYS A 38 90.053 -2.497 -4.206 1.00 1.00 H new ATOM 0 HB2 CYS A 38 88.385 -2.270 -6.734 1.00 1.00 H new ATOM 0 HB3 CYS A 38 88.101 -3.584 -5.609 1.00 1.00 H new ATOM 590 N LYS A 39 91.686 -4.258 -5.121 1.00 1.00 N ATOM 591 CA LYS A 39 92.392 -5.495 -5.562 1.00 1.00 C ATOM 592 C LYS A 39 91.464 -6.699 -5.373 1.00 1.00 C ATOM 593 O LYS A 39 91.474 -7.351 -4.348 1.00 1.00 O ATOM 594 CB LYS A 39 93.674 -5.690 -4.731 1.00 1.00 C ATOM 595 CG LYS A 39 94.166 -4.335 -4.219 1.00 1.00 C ATOM 596 CD LYS A 39 93.564 -4.061 -2.839 1.00 1.00 C ATOM 597 CE LYS A 39 93.641 -2.564 -2.536 1.00 1.00 C ATOM 598 NZ LYS A 39 95.068 -2.136 -2.505 1.00 1.00 N ATOM 0 H LYS A 39 92.068 -3.813 -4.286 1.00 1.00 H new ATOM 0 HA LYS A 39 92.663 -5.404 -6.614 1.00 1.00 H new ATOM 0 HB2 LYS A 39 93.477 -6.357 -3.892 1.00 1.00 H new ATOM 0 HB3 LYS A 39 94.445 -6.162 -5.340 1.00 1.00 H new ATOM 0 HG2 LYS A 39 95.254 -4.330 -4.160 1.00 1.00 H new ATOM 0 HG3 LYS A 39 93.881 -3.546 -4.915 1.00 1.00 H new ATOM 0 HD2 LYS A 39 92.527 -4.396 -2.810 1.00 1.00 H new ATOM 0 HD3 LYS A 39 94.102 -4.625 -2.077 1.00 1.00 H new ATOM 0 HE2 LYS A 39 93.098 -2.000 -3.294 1.00 1.00 H new ATOM 0 HE3 LYS A 39 93.165 -2.351 -1.579 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 95.135 -1.179 -2.104 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 95.616 -2.797 -1.918 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 95.451 -2.133 -3.472 1.00 1.00 H new ATOM 612 N SER A 40 90.657 -6.998 -6.355 1.00 1.00 N ATOM 613 CA SER A 40 89.729 -8.157 -6.228 1.00 1.00 C ATOM 614 C SER A 40 89.023 -8.097 -4.871 1.00 1.00 C ATOM 615 O SER A 40 89.016 -7.077 -4.210 1.00 1.00 O ATOM 616 CB SER A 40 90.522 -9.460 -6.333 1.00 1.00 C ATOM 617 OG SER A 40 91.195 -9.500 -7.584 1.00 1.00 O ATOM 0 H SER A 40 90.601 -6.490 -7.238 1.00 1.00 H new ATOM 0 HA SER A 40 88.988 -8.119 -7.026 1.00 1.00 H new ATOM 0 HB2 SER A 40 91.242 -9.528 -5.517 1.00 1.00 H new ATOM 0 HB3 SER A 40 89.853 -10.315 -6.239 1.00 1.00 H new ATOM 0 HG SER A 40 91.706 -10.333 -7.654 1.00 1.00 H new ATOM 623 N LYS A 41 88.426 -9.182 -4.453 1.00 1.00 N ATOM 624 CA LYS A 41 87.717 -9.191 -3.139 1.00 1.00 C ATOM 625 C LYS A 41 88.026 -10.501 -2.401 1.00 1.00 C ATOM 626 O LYS A 41 87.499 -11.542 -2.741 1.00 1.00 O ATOM 627 CB LYS A 41 86.209 -9.097 -3.381 1.00 1.00 C ATOM 628 CG LYS A 41 85.912 -7.912 -4.302 1.00 1.00 C ATOM 629 CD LYS A 41 84.414 -7.867 -4.611 1.00 1.00 C ATOM 630 CE LYS A 41 84.144 -6.805 -5.677 1.00 1.00 C ATOM 631 NZ LYS A 41 84.586 -7.312 -7.007 1.00 1.00 N ATOM 0 H LYS A 41 88.399 -10.064 -4.965 1.00 1.00 H new ATOM 0 HA LYS A 41 88.050 -8.344 -2.539 1.00 1.00 H new ATOM 0 HB2 LYS A 41 85.844 -10.021 -3.830 1.00 1.00 H new ATOM 0 HB3 LYS A 41 85.685 -8.975 -2.433 1.00 1.00 H new ATOM 0 HG2 LYS A 41 86.224 -6.982 -3.827 1.00 1.00 H new ATOM 0 HG3 LYS A 41 86.482 -8.005 -5.226 1.00 1.00 H new ATOM 0 HD2 LYS A 41 84.075 -8.842 -4.960 1.00 1.00 H new ATOM 0 HD3 LYS A 41 83.852 -7.639 -3.705 1.00 1.00 H new ATOM 0 HE2 LYS A 41 83.082 -6.563 -5.703 1.00 1.00 H new ATOM 0 HE3 LYS A 41 84.675 -5.885 -5.432 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 84.154 -6.737 -7.759 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 85.622 -7.250 -7.075 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 84.291 -8.303 -7.116 1.00 1.00 H new ATOM 645 N PRO A 42 88.872 -10.460 -1.399 1.00 1.00 N ATOM 646 CA PRO A 42 89.240 -11.672 -0.617 1.00 1.00 C ATOM 647 C PRO A 42 88.182 -12.021 0.438 1.00 1.00 C ATOM 648 O PRO A 42 87.378 -11.191 0.816 1.00 1.00 O ATOM 649 CB PRO A 42 90.559 -11.276 0.048 1.00 1.00 C ATOM 650 CG PRO A 42 90.486 -9.791 0.205 1.00 1.00 C ATOM 651 CD PRO A 42 89.570 -9.262 -0.905 1.00 1.00 C ATOM 0 HA PRO A 42 89.318 -12.560 -1.244 1.00 1.00 H new ATOM 0 HB2 PRO A 42 90.678 -11.769 1.013 1.00 1.00 H new ATOM 0 HB3 PRO A 42 91.412 -11.566 -0.565 1.00 1.00 H new ATOM 0 HG2 PRO A 42 90.093 -9.527 1.187 1.00 1.00 H new ATOM 0 HG3 PRO A 42 91.479 -9.347 0.129 1.00 1.00 H new ATOM 0 HD2 PRO A 42 88.868 -8.521 -0.523 1.00 1.00 H new ATOM 0 HD3 PRO A 42 90.142 -8.779 -1.697 1.00 1.00 H new ATOM 659 N PRO A 43 88.183 -13.241 0.909 1.00 1.00 N ATOM 660 CA PRO A 43 87.207 -13.708 1.937 1.00 1.00 C ATOM 661 C PRO A 43 87.497 -13.119 3.323 1.00 1.00 C ATOM 662 O PRO A 43 88.609 -12.732 3.623 1.00 1.00 O ATOM 663 CB PRO A 43 87.394 -15.229 1.949 1.00 1.00 C ATOM 664 CG PRO A 43 88.793 -15.453 1.478 1.00 1.00 C ATOM 665 CD PRO A 43 89.117 -14.309 0.515 1.00 1.00 C ATOM 0 HA PRO A 43 86.189 -13.396 1.702 1.00 1.00 H new ATOM 0 HB2 PRO A 43 87.245 -15.637 2.949 1.00 1.00 H new ATOM 0 HB3 PRO A 43 86.674 -15.720 1.294 1.00 1.00 H new ATOM 0 HG2 PRO A 43 89.488 -15.462 2.318 1.00 1.00 H new ATOM 0 HG3 PRO A 43 88.884 -16.418 0.979 1.00 1.00 H new ATOM 0 HD2 PRO A 43 90.154 -13.988 0.610 1.00 1.00 H new ATOM 0 HD3 PRO A 43 88.969 -14.606 -0.523 1.00 1.00 H new ATOM 673 N LYS A 44 86.504 -13.052 4.167 1.00 1.00 N ATOM 674 CA LYS A 44 86.719 -12.493 5.533 1.00 1.00 C ATOM 675 C LYS A 44 87.385 -11.119 5.428 1.00 1.00 C ATOM 676 O LYS A 44 88.579 -11.011 5.231 1.00 1.00 O ATOM 677 CB LYS A 44 87.619 -13.435 6.335 1.00 1.00 C ATOM 678 CG LYS A 44 86.977 -14.822 6.402 1.00 1.00 C ATOM 679 CD LYS A 44 87.861 -15.754 7.233 1.00 1.00 C ATOM 680 CE LYS A 44 87.280 -17.169 7.204 1.00 1.00 C ATOM 681 NZ LYS A 44 85.905 -17.154 7.779 1.00 1.00 N ATOM 0 H LYS A 44 85.552 -13.360 3.970 1.00 1.00 H new ATOM 0 HA LYS A 44 85.757 -12.392 6.036 1.00 1.00 H new ATOM 0 HB2 LYS A 44 88.602 -13.500 5.869 1.00 1.00 H new ATOM 0 HB3 LYS A 44 87.769 -13.043 7.341 1.00 1.00 H new ATOM 0 HG2 LYS A 44 85.984 -14.754 6.846 1.00 1.00 H new ATOM 0 HG3 LYS A 44 86.850 -15.224 5.397 1.00 1.00 H new ATOM 0 HD2 LYS A 44 88.876 -15.758 6.837 1.00 1.00 H new ATOM 0 HD3 LYS A 44 87.921 -15.395 8.260 1.00 1.00 H new ATOM 0 HE2 LYS A 44 87.253 -17.542 6.180 1.00 1.00 H new ATOM 0 HE3 LYS A 44 87.916 -17.847 7.773 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 85.622 -18.124 8.027 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 85.892 -16.561 8.633 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 85.240 -16.767 7.079 1.00 1.00 H new ATOM 695 N LYS A 45 86.624 -10.067 5.566 1.00 1.00 N ATOM 696 CA LYS A 45 87.218 -8.702 5.480 1.00 1.00 C ATOM 697 C LYS A 45 88.440 -8.629 6.400 1.00 1.00 C ATOM 698 O LYS A 45 88.317 -8.534 7.605 1.00 1.00 O ATOM 699 CB LYS A 45 86.176 -7.663 5.921 1.00 1.00 C ATOM 700 CG LYS A 45 85.477 -7.084 4.689 1.00 1.00 C ATOM 701 CD LYS A 45 84.701 -8.192 3.974 1.00 1.00 C ATOM 702 CE LYS A 45 83.980 -7.607 2.758 1.00 1.00 C ATOM 703 NZ LYS A 45 83.024 -8.614 2.217 1.00 1.00 N ATOM 0 H LYS A 45 85.618 -10.094 5.734 1.00 1.00 H new ATOM 0 HA LYS A 45 87.521 -8.494 4.454 1.00 1.00 H new ATOM 0 HB2 LYS A 45 85.444 -8.125 6.583 1.00 1.00 H new ATOM 0 HB3 LYS A 45 86.659 -6.866 6.486 1.00 1.00 H new ATOM 0 HG2 LYS A 45 84.799 -6.284 4.985 1.00 1.00 H new ATOM 0 HG3 LYS A 45 86.212 -6.646 4.013 1.00 1.00 H new ATOM 0 HD2 LYS A 45 85.382 -8.983 3.660 1.00 1.00 H new ATOM 0 HD3 LYS A 45 83.980 -8.643 4.655 1.00 1.00 H new ATOM 0 HE2 LYS A 45 83.448 -6.699 3.040 1.00 1.00 H new ATOM 0 HE3 LYS A 45 84.704 -7.328 1.992 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 82.533 -8.218 1.390 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 83.544 -9.469 1.934 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 82.327 -8.859 2.949 1.00 1.00 H new ATOM 717 N GLY A 46 89.619 -8.675 5.842 1.00 1.00 N ATOM 718 CA GLY A 46 90.846 -8.610 6.685 1.00 1.00 C ATOM 719 C GLY A 46 91.041 -7.184 7.201 1.00 1.00 C ATOM 720 O GLY A 46 90.563 -6.825 8.259 1.00 1.00 O ATOM 0 H GLY A 46 89.785 -8.755 4.839 1.00 1.00 H new ATOM 0 HA2 GLY A 46 90.760 -9.302 7.523 1.00 1.00 H new ATOM 0 HA3 GLY A 46 91.715 -8.919 6.104 1.00 1.00 H new ATOM 724 N VAL A 47 91.741 -6.367 6.463 1.00 1.00 N ATOM 725 CA VAL A 47 91.970 -4.964 6.910 1.00 1.00 C ATOM 726 C VAL A 47 92.115 -4.057 5.686 1.00 1.00 C ATOM 727 O VAL A 47 93.062 -3.304 5.568 1.00 1.00 O ATOM 728 CB VAL A 47 93.248 -4.899 7.749 1.00 1.00 C ATOM 729 CG1 VAL A 47 92.982 -5.496 9.132 1.00 1.00 C ATOM 730 CG2 VAL A 47 94.354 -5.697 7.054 1.00 1.00 C ATOM 0 H VAL A 47 92.165 -6.611 5.568 1.00 1.00 H new ATOM 0 HA VAL A 47 91.124 -4.630 7.511 1.00 1.00 H new ATOM 0 HB VAL A 47 93.560 -3.860 7.856 1.00 1.00 H new ATOM 0 HG11 VAL A 47 93.892 -5.450 9.730 1.00 1.00 H new ATOM 0 HG12 VAL A 47 92.194 -4.929 9.627 1.00 1.00 H new ATOM 0 HG13 VAL A 47 92.670 -6.535 9.026 1.00 1.00 H new ATOM 0 HG21 VAL A 47 95.265 -5.652 7.651 1.00 1.00 H new ATOM 0 HG22 VAL A 47 94.041 -6.736 6.948 1.00 1.00 H new ATOM 0 HG23 VAL A 47 94.544 -5.273 6.068 1.00 1.00 H new ATOM 740 N GLN A 48 91.184 -4.122 4.774 1.00 1.00 N ATOM 741 CA GLN A 48 91.269 -3.265 3.558 1.00 1.00 C ATOM 742 C GLN A 48 91.191 -1.792 3.967 1.00 1.00 C ATOM 743 O GLN A 48 92.130 -1.041 3.797 1.00 1.00 O ATOM 744 CB GLN A 48 90.105 -3.599 2.619 1.00 1.00 C ATOM 745 CG GLN A 48 90.224 -2.768 1.340 1.00 1.00 C ATOM 746 CD GLN A 48 91.516 -3.139 0.608 1.00 1.00 C ATOM 747 OE1 GLN A 48 92.586 -2.415 0.791 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 91.551 -4.098 -0.138 1.00 1.00 N flip ATOM 0 H GLN A 48 90.368 -4.732 4.819 1.00 1.00 H new ATOM 0 HA GLN A 48 92.213 -3.449 3.046 1.00 1.00 H new ATOM 0 HB2 GLN A 48 90.113 -4.662 2.377 1.00 1.00 H new ATOM 0 HB3 GLN A 48 89.155 -3.392 3.112 1.00 1.00 H new ATOM 0 HG2 GLN A 48 89.364 -2.948 0.695 1.00 1.00 H new ATOM 0 HG3 GLN A 48 90.223 -1.705 1.583 1.00 1.00 H new ATOM 0 HE21 GLN A 48 90.714 -4.664 -0.281 1.00 1.00 H new ATOM 0 HE22 GLN A 48 92.417 -4.337 -0.621 1.00 1.00 H new ATOM 757 N GLY A 49 90.077 -1.374 4.503 1.00 1.00 N ATOM 758 CA GLY A 49 89.939 0.051 4.920 1.00 1.00 C ATOM 759 C GLY A 49 89.588 0.908 3.703 1.00 1.00 C ATOM 760 O GLY A 49 89.527 0.427 2.589 1.00 1.00 O ATOM 0 H GLY A 49 89.257 -1.957 4.670 1.00 1.00 H new ATOM 0 HA2 GLY A 49 89.163 0.145 5.680 1.00 1.00 H new ATOM 0 HA3 GLY A 49 90.869 0.401 5.369 1.00 1.00 H new ATOM 764 N CYS A 50 89.358 2.177 3.905 1.00 1.00 N ATOM 765 CA CYS A 50 89.013 3.067 2.760 1.00 1.00 C ATOM 766 C CYS A 50 89.493 4.489 3.057 1.00 1.00 C ATOM 767 O CYS A 50 90.372 4.700 3.869 1.00 1.00 O ATOM 768 CB CYS A 50 87.496 3.073 2.559 1.00 1.00 C ATOM 769 SG CYS A 50 86.873 1.375 2.617 1.00 1.00 S ATOM 0 H CYS A 50 89.394 2.636 4.815 1.00 1.00 H new ATOM 0 HA CYS A 50 89.499 2.701 1.855 1.00 1.00 H new ATOM 0 HB2 CYS A 50 87.018 3.674 3.333 1.00 1.00 H new ATOM 0 HB3 CYS A 50 87.247 3.531 1.601 1.00 1.00 H new ATOM 774 N GLY A 51 88.922 5.465 2.407 1.00 1.00 N ATOM 775 CA GLY A 51 89.346 6.873 2.653 1.00 1.00 C ATOM 776 C GLY A 51 90.631 7.165 1.876 1.00 1.00 C ATOM 777 O GLY A 51 91.425 8.000 2.262 1.00 1.00 O ATOM 0 H GLY A 51 88.180 5.349 1.716 1.00 1.00 H new ATOM 0 HA2 GLY A 51 88.558 7.560 2.344 1.00 1.00 H new ATOM 0 HA3 GLY A 51 89.509 7.033 3.719 1.00 1.00 H new ATOM 781 N ASP A 52 90.843 6.484 0.783 1.00 1.00 N ATOM 782 CA ASP A 52 92.076 6.725 -0.018 1.00 1.00 C ATOM 783 C ASP A 52 91.866 7.941 -0.922 1.00 1.00 C ATOM 784 O ASP A 52 92.774 8.708 -1.169 1.00 1.00 O ATOM 785 CB ASP A 52 92.374 5.494 -0.878 1.00 1.00 C ATOM 786 CG ASP A 52 92.325 4.238 -0.006 1.00 1.00 C ATOM 787 OD1 ASP A 52 92.849 4.283 1.094 1.00 1.00 O ATOM 788 OD2 ASP A 52 91.764 3.251 -0.455 1.00 1.00 O ATOM 0 H ASP A 52 90.216 5.771 0.410 1.00 1.00 H new ATOM 0 HA ASP A 52 92.915 6.911 0.652 1.00 1.00 H new ATOM 0 HB2 ASP A 52 91.647 5.417 -1.686 1.00 1.00 H new ATOM 0 HB3 ASP A 52 93.356 5.590 -1.341 1.00 1.00 H new ATOM 793 N ASP A 53 90.672 8.121 -1.418 1.00 1.00 N ATOM 794 CA ASP A 53 90.399 9.287 -2.305 1.00 1.00 C ATOM 795 C ASP A 53 88.884 9.470 -2.444 1.00 1.00 C ATOM 796 O ASP A 53 88.417 10.415 -3.047 1.00 1.00 O ATOM 797 CB ASP A 53 91.023 9.034 -3.687 1.00 1.00 C ATOM 798 CG ASP A 53 92.205 9.983 -3.896 1.00 1.00 C ATOM 799 OD1 ASP A 53 92.908 10.242 -2.934 1.00 1.00 O ATOM 800 OD2 ASP A 53 92.386 10.434 -5.015 1.00 1.00 O ATOM 0 H ASP A 53 89.873 7.510 -1.247 1.00 1.00 H new ATOM 0 HA ASP A 53 90.835 10.189 -1.875 1.00 1.00 H new ATOM 0 HB2 ASP A 53 91.356 7.999 -3.763 1.00 1.00 H new ATOM 0 HB3 ASP A 53 90.278 9.187 -4.468 1.00 1.00 H new ATOM 805 N ILE A 54 88.117 8.570 -1.888 1.00 1.00 N ATOM 806 CA ILE A 54 86.630 8.680 -1.980 1.00 1.00 C ATOM 807 C ILE A 54 86.066 9.077 -0.609 1.00 1.00 C ATOM 808 O ILE A 54 85.970 8.256 0.282 1.00 1.00 O ATOM 809 CB ILE A 54 86.047 7.324 -2.390 1.00 1.00 C ATOM 810 CG1 ILE A 54 86.649 6.896 -3.730 1.00 1.00 C ATOM 811 CG2 ILE A 54 84.528 7.442 -2.530 1.00 1.00 C ATOM 812 CD1 ILE A 54 85.856 7.530 -4.873 1.00 1.00 C ATOM 0 H ILE A 54 88.458 7.759 -1.371 1.00 1.00 H new ATOM 0 HA ILE A 54 86.364 9.434 -2.720 1.00 1.00 H new ATOM 0 HB ILE A 54 86.285 6.581 -1.629 1.00 1.00 H new ATOM 0 HG12 ILE A 54 87.694 7.202 -3.785 1.00 1.00 H new ATOM 0 HG13 ILE A 54 86.630 5.810 -3.819 1.00 1.00 H new ATOM 0 HG21 ILE A 54 84.113 6.477 -2.822 1.00 1.00 H new ATOM 0 HG22 ILE A 54 84.097 7.749 -1.577 1.00 1.00 H new ATOM 0 HG23 ILE A 54 84.289 8.185 -3.291 1.00 1.00 H new ATOM 0 HD11 ILE A 54 86.286 7.225 -5.827 1.00 1.00 H new ATOM 0 HD12 ILE A 54 84.818 7.202 -4.821 1.00 1.00 H new ATOM 0 HD13 ILE A 54 85.899 8.616 -4.787 1.00 1.00 H new ATOM 824 N PRO A 55 85.697 10.323 -0.432 1.00 1.00 N ATOM 825 CA PRO A 55 85.141 10.815 0.859 1.00 1.00 C ATOM 826 C PRO A 55 83.652 10.483 1.016 1.00 1.00 C ATOM 827 O PRO A 55 82.869 11.292 1.473 1.00 1.00 O ATOM 828 CB PRO A 55 85.358 12.327 0.781 1.00 1.00 C ATOM 829 CG PRO A 55 85.307 12.650 -0.678 1.00 1.00 C ATOM 830 CD PRO A 55 85.771 11.399 -1.434 1.00 1.00 C ATOM 0 HA PRO A 55 85.622 10.349 1.719 1.00 1.00 H new ATOM 0 HB2 PRO A 55 84.587 12.865 1.332 1.00 1.00 H new ATOM 0 HB3 PRO A 55 86.317 12.611 1.215 1.00 1.00 H new ATOM 0 HG2 PRO A 55 84.296 12.927 -0.976 1.00 1.00 H new ATOM 0 HG3 PRO A 55 85.951 13.499 -0.907 1.00 1.00 H new ATOM 0 HD2 PRO A 55 85.130 11.190 -2.290 1.00 1.00 H new ATOM 0 HD3 PRO A 55 86.785 11.518 -1.816 1.00 1.00 H new ATOM 838 N GLY A 56 83.258 9.296 0.645 1.00 1.00 N ATOM 839 CA GLY A 56 81.824 8.910 0.776 1.00 1.00 C ATOM 840 C GLY A 56 80.971 9.770 -0.158 1.00 1.00 C ATOM 841 O GLY A 56 80.129 10.530 0.279 1.00 1.00 O ATOM 0 H GLY A 56 83.867 8.576 0.257 1.00 1.00 H new ATOM 0 HA2 GLY A 56 81.698 7.855 0.532 1.00 1.00 H new ATOM 0 HA3 GLY A 56 81.495 9.040 1.807 1.00 1.00 H new ATOM 845 N MET A 57 81.179 9.657 -1.441 1.00 1.00 N ATOM 846 CA MET A 57 80.378 10.467 -2.400 1.00 1.00 C ATOM 847 C MET A 57 78.936 9.952 -2.421 1.00 1.00 C ATOM 848 O MET A 57 78.691 8.776 -2.598 1.00 1.00 O ATOM 849 CB MET A 57 80.987 10.345 -3.800 1.00 1.00 C ATOM 850 CG MET A 57 80.832 8.909 -4.305 1.00 1.00 C ATOM 851 SD MET A 57 79.275 8.754 -5.214 1.00 1.00 S ATOM 852 CE MET A 57 79.735 7.313 -6.208 1.00 1.00 C ATOM 0 H MET A 57 81.869 9.038 -1.866 1.00 1.00 H new ATOM 0 HA MET A 57 80.385 11.512 -2.091 1.00 1.00 H new ATOM 0 HB2 MET A 57 80.494 11.036 -4.483 1.00 1.00 H new ATOM 0 HB3 MET A 57 82.041 10.620 -3.774 1.00 1.00 H new ATOM 0 HG2 MET A 57 81.670 8.647 -4.951 1.00 1.00 H new ATOM 0 HG3 MET A 57 80.846 8.213 -3.466 1.00 1.00 H new ATOM 0 HE1 MET A 57 78.874 6.652 -6.311 1.00 1.00 H new ATOM 0 HE2 MET A 57 80.061 7.641 -7.195 1.00 1.00 H new ATOM 0 HE3 MET A 57 80.547 6.777 -5.717 1.00 1.00 H new ATOM 862 N GLU A 58 77.981 10.827 -2.241 1.00 1.00 N ATOM 863 CA GLU A 58 76.551 10.396 -2.250 1.00 1.00 C ATOM 864 C GLU A 58 75.859 10.960 -3.492 1.00 1.00 C ATOM 865 O GLU A 58 76.470 11.627 -4.303 1.00 1.00 O ATOM 866 CB GLU A 58 75.855 10.923 -0.993 1.00 1.00 C ATOM 867 CG GLU A 58 76.318 10.119 0.223 1.00 1.00 C ATOM 868 CD GLU A 58 75.611 10.636 1.477 1.00 1.00 C ATOM 869 OE1 GLU A 58 75.794 11.798 1.800 1.00 1.00 O ATOM 870 OE2 GLU A 58 74.897 9.861 2.093 1.00 1.00 O ATOM 0 H GLU A 58 78.130 11.824 -2.088 1.00 1.00 H new ATOM 0 HA GLU A 58 76.496 9.307 -2.267 1.00 1.00 H new ATOM 0 HB2 GLU A 58 76.085 11.979 -0.853 1.00 1.00 H new ATOM 0 HB3 GLU A 58 74.773 10.845 -1.104 1.00 1.00 H new ATOM 0 HG2 GLU A 58 76.097 9.061 0.078 1.00 1.00 H new ATOM 0 HG3 GLU A 58 77.398 10.206 0.340 1.00 1.00 H new ATOM 877 N GLY A 59 74.587 10.698 -3.647 1.00 1.00 N ATOM 878 CA GLY A 59 73.846 11.216 -4.836 1.00 1.00 C ATOM 879 C GLY A 59 73.291 10.042 -5.644 1.00 1.00 C ATOM 880 O GLY A 59 73.417 9.992 -6.851 1.00 1.00 O ATOM 0 H GLY A 59 74.027 10.145 -2.998 1.00 1.00 H new ATOM 0 HA2 GLY A 59 73.033 11.867 -4.515 1.00 1.00 H new ATOM 0 HA3 GLY A 59 74.510 11.817 -5.457 1.00 1.00 H new ATOM 884 N CYS A 60 72.678 9.095 -4.988 1.00 1.00 N ATOM 885 CA CYS A 60 72.118 7.924 -5.720 1.00 1.00 C ATOM 886 C CYS A 60 71.175 7.149 -4.797 1.00 1.00 C ATOM 887 O CYS A 60 70.877 5.994 -5.026 1.00 1.00 O ATOM 888 CB CYS A 60 73.260 7.010 -6.169 1.00 1.00 C ATOM 889 SG CYS A 60 74.541 6.976 -4.891 1.00 1.00 S ATOM 0 H CYS A 60 72.541 9.082 -3.977 1.00 1.00 H new ATOM 0 HA CYS A 60 71.566 8.271 -6.594 1.00 1.00 H new ATOM 0 HB2 CYS A 60 72.885 6.003 -6.350 1.00 1.00 H new ATOM 0 HB3 CYS A 60 73.679 7.368 -7.110 1.00 1.00 H new ATOM 894 N GLY A 61 70.704 7.775 -3.753 1.00 1.00 N ATOM 895 CA GLY A 61 69.782 7.073 -2.814 1.00 1.00 C ATOM 896 C GLY A 61 68.336 7.245 -3.284 1.00 1.00 C ATOM 897 O GLY A 61 67.412 6.765 -2.659 1.00 1.00 O ATOM 0 H GLY A 61 70.918 8.742 -3.509 1.00 1.00 H new ATOM 0 HA2 GLY A 61 70.035 6.014 -2.765 1.00 1.00 H new ATOM 0 HA3 GLY A 61 69.897 7.475 -1.807 1.00 1.00 H new ATOM 901 N THR A 62 68.132 7.929 -4.381 1.00 1.00 N ATOM 902 CA THR A 62 66.745 8.135 -4.892 1.00 1.00 C ATOM 903 C THR A 62 66.551 7.332 -6.180 1.00 1.00 C ATOM 904 O THR A 62 65.532 6.701 -6.383 1.00 1.00 O ATOM 905 CB THR A 62 66.529 9.622 -5.185 1.00 1.00 C ATOM 906 OG1 THR A 62 67.214 9.972 -6.379 1.00 1.00 O ATOM 907 CG2 THR A 62 67.067 10.457 -4.022 1.00 1.00 C ATOM 0 H THR A 62 68.868 8.354 -4.945 1.00 1.00 H new ATOM 0 HA THR A 62 66.028 7.800 -4.143 1.00 1.00 H new ATOM 0 HB THR A 62 65.464 9.818 -5.306 1.00 1.00 H new ATOM 0 HG1 THR A 62 67.075 10.923 -6.569 1.00 1.00 H new ATOM 0 HG21 THR A 62 66.913 11.515 -4.232 1.00 1.00 H new ATOM 0 HG22 THR A 62 66.540 10.188 -3.107 1.00 1.00 H new ATOM 0 HG23 THR A 62 68.132 10.264 -3.897 1.00 1.00 H new ATOM 915 N ASP A 63 67.518 7.357 -7.055 1.00 1.00 N ATOM 916 CA ASP A 63 67.391 6.604 -8.334 1.00 1.00 C ATOM 917 C ASP A 63 67.461 5.097 -8.065 1.00 1.00 C ATOM 918 O ASP A 63 67.563 4.302 -8.978 1.00 1.00 O ATOM 919 CB ASP A 63 68.529 7.009 -9.274 1.00 1.00 C ATOM 920 CG ASP A 63 68.456 6.175 -10.554 1.00 1.00 C ATOM 921 OD1 ASP A 63 67.416 6.194 -11.192 1.00 1.00 O ATOM 922 OD2 ASP A 63 69.441 5.530 -10.875 1.00 1.00 O ATOM 0 H ASP A 63 68.393 7.868 -6.939 1.00 1.00 H new ATOM 0 HA ASP A 63 66.431 6.838 -8.795 1.00 1.00 H new ATOM 0 HB2 ASP A 63 68.456 8.070 -9.514 1.00 1.00 H new ATOM 0 HB3 ASP A 63 69.491 6.858 -8.784 1.00 1.00 H new ATOM 927 N ILE A 64 67.405 4.694 -6.821 1.00 1.00 N ATOM 928 CA ILE A 64 67.469 3.240 -6.501 1.00 1.00 C ATOM 929 C ILE A 64 66.411 2.915 -5.446 1.00 1.00 C ATOM 930 O ILE A 64 66.229 1.777 -5.063 1.00 1.00 O ATOM 931 CB ILE A 64 68.856 2.903 -5.949 1.00 1.00 C ATOM 932 CG1 ILE A 64 69.926 3.534 -6.843 1.00 1.00 C ATOM 933 CG2 ILE A 64 69.042 1.385 -5.927 1.00 1.00 C ATOM 934 CD1 ILE A 64 69.930 2.836 -8.204 1.00 1.00 C ATOM 0 H ILE A 64 67.318 5.311 -6.014 1.00 1.00 H new ATOM 0 HA ILE A 64 67.284 2.655 -7.402 1.00 1.00 H new ATOM 0 HB ILE A 64 68.949 3.295 -4.936 1.00 1.00 H new ATOM 0 HG12 ILE A 64 69.728 4.599 -6.969 1.00 1.00 H new ATOM 0 HG13 ILE A 64 70.906 3.445 -6.374 1.00 1.00 H new ATOM 0 HG21 ILE A 64 70.030 1.145 -5.534 1.00 1.00 H new ATOM 0 HG22 ILE A 64 68.279 0.934 -5.292 1.00 1.00 H new ATOM 0 HG23 ILE A 64 68.949 0.992 -6.940 1.00 1.00 H new ATOM 0 HD11 ILE A 64 70.692 3.285 -8.841 1.00 1.00 H new ATOM 0 HD12 ILE A 64 70.148 1.777 -8.069 1.00 1.00 H new ATOM 0 HD13 ILE A 64 68.953 2.948 -8.673 1.00 1.00 H new ATOM 946 N THR A 65 65.712 3.908 -4.974 1.00 1.00 N ATOM 947 CA THR A 65 64.666 3.663 -3.942 1.00 1.00 C ATOM 948 C THR A 65 63.858 2.416 -4.305 1.00 1.00 C ATOM 949 O THR A 65 63.668 1.532 -3.494 1.00 1.00 O ATOM 950 CB THR A 65 63.724 4.866 -3.883 1.00 1.00 C ATOM 951 OG1 THR A 65 64.475 6.061 -4.040 1.00 1.00 O ATOM 952 CG2 THR A 65 63.003 4.887 -2.534 1.00 1.00 C ATOM 0 H THR A 65 65.820 4.881 -5.259 1.00 1.00 H new ATOM 0 HA THR A 65 65.146 3.515 -2.974 1.00 1.00 H new ATOM 0 HB THR A 65 62.988 4.791 -4.684 1.00 1.00 H new ATOM 0 HG1 THR A 65 64.488 6.317 -4.986 1.00 1.00 H new ATOM 0 HG21 THR A 65 62.332 5.745 -2.493 1.00 1.00 H new ATOM 0 HG22 THR A 65 62.427 3.970 -2.415 1.00 1.00 H new ATOM 0 HG23 THR A 65 63.736 4.961 -1.731 1.00 1.00 H new ATOM 960 N VAL A 66 63.377 2.345 -5.518 1.00 1.00 N ATOM 961 CA VAL A 66 62.575 1.161 -5.938 1.00 1.00 C ATOM 962 C VAL A 66 63.197 -0.107 -5.355 1.00 1.00 C ATOM 963 O VAL A 66 62.585 -0.803 -4.570 1.00 1.00 O ATOM 964 CB VAL A 66 62.562 1.071 -7.466 1.00 1.00 C ATOM 965 CG1 VAL A 66 61.407 0.174 -7.916 1.00 1.00 C ATOM 966 CG2 VAL A 66 62.379 2.471 -8.056 1.00 1.00 C ATOM 0 H VAL A 66 63.506 3.058 -6.236 1.00 1.00 H new ATOM 0 HA VAL A 66 61.553 1.264 -5.573 1.00 1.00 H new ATOM 0 HB VAL A 66 63.505 0.649 -7.813 1.00 1.00 H new ATOM 0 HG11 VAL A 66 61.398 0.110 -9.004 1.00 1.00 H new ATOM 0 HG12 VAL A 66 61.536 -0.823 -7.495 1.00 1.00 H new ATOM 0 HG13 VAL A 66 60.463 0.595 -7.570 1.00 1.00 H new ATOM 0 HG21 VAL A 66 62.370 2.409 -9.144 1.00 1.00 H new ATOM 0 HG22 VAL A 66 61.436 2.892 -7.708 1.00 1.00 H new ATOM 0 HG23 VAL A 66 63.201 3.111 -7.736 1.00 1.00 H new ATOM 976 N ILE A 67 64.413 -0.406 -5.725 1.00 1.00 N ATOM 977 CA ILE A 67 65.083 -1.627 -5.183 1.00 1.00 C ATOM 978 C ILE A 67 66.522 -1.298 -4.779 1.00 1.00 C ATOM 979 O ILE A 67 67.438 -1.395 -5.571 1.00 1.00 O ATOM 980 CB ILE A 67 65.100 -2.731 -6.241 1.00 1.00 C ATOM 981 CG1 ILE A 67 63.667 -3.187 -6.524 1.00 1.00 C ATOM 982 CG2 ILE A 67 65.919 -3.917 -5.729 1.00 1.00 C ATOM 983 CD1 ILE A 67 63.067 -3.802 -5.258 1.00 1.00 C ATOM 0 H ILE A 67 64.973 0.141 -6.379 1.00 1.00 H new ATOM 0 HA ILE A 67 64.527 -1.969 -4.310 1.00 1.00 H new ATOM 0 HB ILE A 67 65.549 -2.348 -7.158 1.00 1.00 H new ATOM 0 HG12 ILE A 67 63.063 -2.341 -6.851 1.00 1.00 H new ATOM 0 HG13 ILE A 67 63.660 -3.916 -7.334 1.00 1.00 H new ATOM 0 HG21 ILE A 67 65.931 -4.704 -6.483 1.00 1.00 H new ATOM 0 HG22 ILE A 67 66.940 -3.594 -5.526 1.00 1.00 H new ATOM 0 HG23 ILE A 67 65.471 -4.300 -4.812 1.00 1.00 H new ATOM 0 HD11 ILE A 67 62.046 -4.127 -5.460 1.00 1.00 H new ATOM 0 HD12 ILE A 67 63.666 -4.659 -4.951 1.00 1.00 H new ATOM 0 HD13 ILE A 67 63.060 -3.059 -4.460 1.00 1.00 H new ATOM 995 N CYS A 68 66.725 -0.927 -3.546 1.00 1.00 N ATOM 996 CA CYS A 68 68.100 -0.610 -3.063 1.00 1.00 C ATOM 997 C CYS A 68 68.503 -1.654 -2.013 1.00 1.00 C ATOM 998 O CYS A 68 67.674 -2.131 -1.267 1.00 1.00 O ATOM 999 CB CYS A 68 68.104 0.796 -2.445 1.00 1.00 C ATOM 1000 SG CYS A 68 69.593 1.683 -2.967 1.00 1.00 S ATOM 0 H CYS A 68 65.991 -0.829 -2.845 1.00 1.00 H new ATOM 0 HA CYS A 68 68.811 -0.634 -3.889 1.00 1.00 H new ATOM 0 HB2 CYS A 68 67.214 1.344 -2.756 1.00 1.00 H new ATOM 0 HB3 CYS A 68 68.072 0.727 -1.358 1.00 1.00 H new ATOM 1005 N PRO A 69 69.760 -2.036 -1.966 1.00 1.00 N ATOM 1006 CA PRO A 69 70.270 -3.061 -1.019 1.00 1.00 C ATOM 1007 C PRO A 69 69.435 -3.213 0.262 1.00 1.00 C ATOM 1008 O PRO A 69 69.012 -4.301 0.596 1.00 1.00 O ATOM 1009 CB PRO A 69 71.674 -2.551 -0.712 1.00 1.00 C ATOM 1010 CG PRO A 69 72.114 -1.838 -1.957 1.00 1.00 C ATOM 1011 CD PRO A 69 70.861 -1.524 -2.791 1.00 1.00 C ATOM 0 HA PRO A 69 70.233 -4.062 -1.449 1.00 1.00 H new ATOM 0 HB2 PRO A 69 71.670 -1.879 0.146 1.00 1.00 H new ATOM 0 HB3 PRO A 69 72.348 -3.373 -0.470 1.00 1.00 H new ATOM 0 HG2 PRO A 69 72.643 -0.920 -1.704 1.00 1.00 H new ATOM 0 HG3 PRO A 69 72.806 -2.458 -2.527 1.00 1.00 H new ATOM 0 HD2 PRO A 69 70.760 -0.455 -2.976 1.00 1.00 H new ATOM 0 HD3 PRO A 69 70.894 -2.014 -3.764 1.00 1.00 H new ATOM 1019 N TRP A 70 69.194 -2.155 0.992 1.00 1.00 N ATOM 1020 CA TRP A 70 68.390 -2.308 2.242 1.00 1.00 C ATOM 1021 C TRP A 70 67.007 -2.861 1.897 1.00 1.00 C ATOM 1022 O TRP A 70 66.179 -3.069 2.761 1.00 1.00 O ATOM 1023 CB TRP A 70 68.243 -0.962 2.966 1.00 1.00 C ATOM 1024 CG TRP A 70 67.853 0.099 1.987 1.00 1.00 C ATOM 1025 CD1 TRP A 70 68.689 1.033 1.481 1.00 1.00 C ATOM 1026 CD2 TRP A 70 66.547 0.350 1.390 1.00 1.00 C ATOM 1027 NE1 TRP A 70 67.982 1.842 0.611 1.00 1.00 N ATOM 1028 CE2 TRP A 70 66.658 1.463 0.520 1.00 1.00 C ATOM 1029 CE3 TRP A 70 65.292 -0.271 1.516 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 65.559 1.940 -0.199 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 64.187 0.206 0.796 1.00 1.00 C ATOM 1032 CH2 TRP A 70 64.319 1.309 -0.059 1.00 1.00 C ATOM 0 H TRP A 70 69.512 -1.209 0.783 1.00 1.00 H new ATOM 0 HA TRP A 70 68.909 -3.001 2.905 1.00 1.00 H new ATOM 0 HB2 TRP A 70 67.490 -1.041 3.750 1.00 1.00 H new ATOM 0 HB3 TRP A 70 69.182 -0.695 3.451 1.00 1.00 H new ATOM 0 HD1 TRP A 70 69.738 1.131 1.718 1.00 1.00 H new ATOM 0 HE1 TRP A 70 68.389 2.624 0.099 1.00 1.00 H new ATOM 0 HE3 TRP A 70 65.178 -1.121 2.172 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 65.666 2.789 -0.858 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 63.228 -0.280 0.901 1.00 1.00 H new ATOM 0 HH2 TRP A 70 63.463 1.671 -0.609 1.00 1.00 H new ATOM 1043 N GLU A 71 66.753 -3.105 0.639 1.00 1.00 N ATOM 1044 CA GLU A 71 65.427 -3.646 0.227 1.00 1.00 C ATOM 1045 C GLU A 71 65.564 -5.140 -0.080 1.00 1.00 C ATOM 1046 O GLU A 71 65.076 -5.982 0.647 1.00 1.00 O ATOM 1047 CB GLU A 71 64.953 -2.902 -1.027 1.00 1.00 C ATOM 1048 CG GLU A 71 63.431 -3.003 -1.139 1.00 1.00 C ATOM 1049 CD GLU A 71 63.031 -4.462 -1.370 1.00 1.00 C ATOM 1050 OE1 GLU A 71 63.734 -5.139 -2.102 1.00 1.00 O ATOM 1051 OE2 GLU A 71 62.029 -4.877 -0.811 1.00 1.00 O ATOM 0 H GLU A 71 67.412 -2.952 -0.125 1.00 1.00 H new ATOM 0 HA GLU A 71 64.702 -3.508 1.029 1.00 1.00 H new ATOM 0 HB2 GLU A 71 65.255 -1.856 -0.978 1.00 1.00 H new ATOM 0 HB3 GLU A 71 65.422 -3.328 -1.914 1.00 1.00 H new ATOM 0 HG2 GLU A 71 62.963 -2.626 -0.229 1.00 1.00 H new ATOM 0 HG3 GLU A 71 63.074 -2.383 -1.961 1.00 1.00 H new ATOM 1058 N ALA A 72 66.224 -5.473 -1.156 1.00 1.00 N ATOM 1059 CA ALA A 72 66.394 -6.910 -1.515 1.00 1.00 C ATOM 1060 C ALA A 72 67.480 -7.539 -0.637 1.00 1.00 C ATOM 1061 O ALA A 72 67.234 -8.479 0.091 1.00 1.00 O ATOM 1062 CB ALA A 72 66.802 -7.019 -2.986 1.00 1.00 C ATOM 0 H ALA A 72 66.653 -4.811 -1.803 1.00 1.00 H new ATOM 0 HA ALA A 72 65.453 -7.436 -1.354 1.00 1.00 H new ATOM 0 HB1 ALA A 72 66.927 -8.069 -3.252 1.00 1.00 H new ATOM 0 HB2 ALA A 72 66.028 -6.576 -3.612 1.00 1.00 H new ATOM 0 HB3 ALA A 72 67.742 -6.490 -3.143 1.00 1.00 H new ATOM 1068 N CYS A 73 68.681 -7.031 -0.704 1.00 1.00 N ATOM 1069 CA CYS A 73 69.781 -7.605 0.123 1.00 1.00 C ATOM 1070 C CYS A 73 69.374 -7.587 1.599 1.00 1.00 C ATOM 1071 O CYS A 73 69.821 -8.398 2.385 1.00 1.00 O ATOM 1072 CB CYS A 73 71.050 -6.772 -0.065 1.00 1.00 C ATOM 1073 SG CYS A 73 71.777 -7.137 -1.682 1.00 1.00 S ATOM 0 H CYS A 73 68.948 -6.244 -1.295 1.00 1.00 H new ATOM 0 HA CYS A 73 69.971 -8.632 -0.189 1.00 1.00 H new ATOM 0 HB2 CYS A 73 70.815 -5.710 0.009 1.00 1.00 H new ATOM 0 HB3 CYS A 73 71.765 -6.996 0.726 1.00 1.00 H new ATOM 1078 N ASN A 74 68.533 -6.665 1.980 1.00 1.00 N ATOM 1079 CA ASN A 74 68.099 -6.591 3.404 1.00 1.00 C ATOM 1080 C ASN A 74 69.301 -6.246 4.288 1.00 1.00 C ATOM 1081 O ASN A 74 69.406 -5.152 4.807 1.00 1.00 O ATOM 1082 CB ASN A 74 67.513 -7.941 3.833 1.00 1.00 C ATOM 1083 CG ASN A 74 66.766 -8.571 2.656 1.00 1.00 C ATOM 1084 OD1 ASN A 74 65.907 -7.948 2.063 1.00 1.00 O ATOM 1085 ND2 ASN A 74 67.059 -9.788 2.289 1.00 1.00 N ATOM 0 H ASN A 74 68.127 -5.959 1.366 1.00 1.00 H new ATOM 0 HA ASN A 74 67.338 -5.818 3.512 1.00 1.00 H new ATOM 0 HB2 ASN A 74 68.310 -8.605 4.169 1.00 1.00 H new ATOM 0 HB3 ASN A 74 66.836 -7.804 4.676 1.00 1.00 H new ATOM 0 HD21 ASN A 74 66.567 -10.216 1.505 1.00 1.00 H new ATOM 0 HD22 ASN A 74 67.780 -10.311 2.786 1.00 1.00 H new ATOM 1092 N HIS A 75 70.208 -7.172 4.463 1.00 1.00 N ATOM 1093 CA HIS A 75 71.408 -6.904 5.313 1.00 1.00 C ATOM 1094 C HIS A 75 72.655 -6.850 4.427 1.00 1.00 C ATOM 1095 O HIS A 75 72.778 -7.584 3.467 1.00 1.00 O ATOM 1096 CB HIS A 75 71.560 -8.027 6.343 1.00 1.00 C ATOM 1097 CG HIS A 75 72.462 -7.569 7.456 1.00 1.00 C ATOM 1098 ND1 HIS A 75 72.216 -6.410 8.177 1.00 1.00 N ATOM 1099 CD2 HIS A 75 73.612 -8.104 7.984 1.00 1.00 C ATOM 1100 CE1 HIS A 75 73.195 -6.283 9.090 1.00 1.00 C ATOM 1101 NE2 HIS A 75 74.070 -7.288 9.015 1.00 1.00 N ATOM 0 H HIS A 75 70.170 -8.105 4.053 1.00 1.00 H new ATOM 0 HA HIS A 75 71.287 -5.951 5.829 1.00 1.00 H new ATOM 0 HB2 HIS A 75 70.584 -8.303 6.742 1.00 1.00 H new ATOM 0 HB3 HIS A 75 71.974 -8.917 5.868 1.00 1.00 H new ATOM 0 HD1 HIS A 75 71.434 -5.770 8.040 1.00 1.00 H new ATOM 0 HD2 HIS A 75 74.087 -9.015 7.651 1.00 1.00 H new ATOM 0 HE1 HIS A 75 73.265 -5.469 9.796 1.00 1.00 H new ATOM 1110 N CYS A 76 73.581 -5.984 4.742 1.00 1.00 N ATOM 1111 CA CYS A 76 74.818 -5.882 3.916 1.00 1.00 C ATOM 1112 C CYS A 76 75.870 -6.860 4.447 1.00 1.00 C ATOM 1113 O CYS A 76 76.344 -7.722 3.735 1.00 1.00 O ATOM 1114 CB CYS A 76 75.365 -4.455 3.991 1.00 1.00 C ATOM 1115 SG CYS A 76 75.599 -3.988 5.724 1.00 1.00 S ATOM 0 H CYS A 76 73.534 -5.344 5.535 1.00 1.00 H new ATOM 0 HA CYS A 76 74.584 -6.128 2.880 1.00 1.00 H new ATOM 0 HB2 CYS A 76 76.311 -4.388 3.454 1.00 1.00 H new ATOM 0 HB3 CYS A 76 74.675 -3.764 3.507 1.00 1.00 H new ATOM 1120 N GLU A 77 76.239 -6.732 5.693 1.00 1.00 N ATOM 1121 CA GLU A 77 77.260 -7.655 6.264 1.00 1.00 C ATOM 1122 C GLU A 77 76.833 -9.101 6.015 1.00 1.00 C ATOM 1123 O GLU A 77 75.811 -9.361 5.411 1.00 1.00 O ATOM 1124 CB GLU A 77 77.384 -7.411 7.770 1.00 1.00 C ATOM 1125 CG GLU A 77 78.018 -6.040 8.015 1.00 1.00 C ATOM 1126 CD GLU A 77 78.257 -5.848 9.514 1.00 1.00 C ATOM 1127 OE1 GLU A 77 78.946 -6.670 10.094 1.00 1.00 O ATOM 1128 OE2 GLU A 77 77.745 -4.882 10.056 1.00 1.00 O ATOM 0 H GLU A 77 75.878 -6.030 6.339 1.00 1.00 H new ATOM 0 HA GLU A 77 78.223 -7.473 5.787 1.00 1.00 H new ATOM 0 HB2 GLU A 77 76.401 -7.458 8.239 1.00 1.00 H new ATOM 0 HB3 GLU A 77 77.992 -8.192 8.227 1.00 1.00 H new ATOM 0 HG2 GLU A 77 78.960 -5.961 7.473 1.00 1.00 H new ATOM 0 HG3 GLU A 77 77.366 -5.253 7.636 1.00 1.00 H new ATOM 1135 N LEU A 78 77.605 -10.047 6.475 1.00 1.00 N ATOM 1136 CA LEU A 78 77.240 -11.475 6.262 1.00 1.00 C ATOM 1137 C LEU A 78 77.423 -11.828 4.782 1.00 1.00 C ATOM 1138 O LEU A 78 78.006 -11.078 4.024 1.00 1.00 O ATOM 1139 CB LEU A 78 75.774 -11.687 6.673 1.00 1.00 C ATOM 1140 CG LEU A 78 75.611 -13.068 7.311 1.00 1.00 C ATOM 1141 CD1 LEU A 78 76.009 -12.998 8.787 1.00 1.00 C ATOM 1142 CD2 LEU A 78 74.151 -13.512 7.198 1.00 1.00 C ATOM 0 H LEU A 78 78.472 -9.892 6.989 1.00 1.00 H new ATOM 0 HA LEU A 78 77.881 -12.117 6.866 1.00 1.00 H new ATOM 0 HB2 LEU A 78 75.468 -10.913 7.376 1.00 1.00 H new ATOM 0 HB3 LEU A 78 75.126 -11.600 5.801 1.00 1.00 H new ATOM 0 HG LEU A 78 76.251 -13.784 6.795 1.00 1.00 H new ATOM 0 HD11 LEU A 78 75.893 -13.982 9.242 1.00 1.00 H new ATOM 0 HD12 LEU A 78 77.049 -12.681 8.869 1.00 1.00 H new ATOM 0 HD13 LEU A 78 75.369 -12.282 9.303 1.00 1.00 H new ATOM 0 HD21 LEU A 78 74.034 -14.496 7.652 1.00 1.00 H new ATOM 0 HD22 LEU A 78 73.512 -12.796 7.714 1.00 1.00 H new ATOM 0 HD23 LEU A 78 73.866 -13.561 6.147 1.00 1.00 H new ATOM 1154 N HIS A 79 76.931 -12.961 4.364 1.00 1.00 N ATOM 1155 CA HIS A 79 77.080 -13.354 2.934 1.00 1.00 C ATOM 1156 C HIS A 79 76.076 -14.458 2.598 1.00 1.00 C ATOM 1157 O HIS A 79 76.444 -15.547 2.206 1.00 1.00 O ATOM 1158 CB HIS A 79 78.500 -13.866 2.689 1.00 1.00 C ATOM 1159 CG HIS A 79 78.640 -14.284 1.251 1.00 1.00 C ATOM 1160 ND1 HIS A 79 78.474 -13.392 0.202 1.00 1.00 N ATOM 1161 CD2 HIS A 79 78.931 -15.496 0.672 1.00 1.00 C ATOM 1162 CE1 HIS A 79 78.664 -14.072 -0.943 1.00 1.00 C ATOM 1163 NE2 HIS A 79 78.944 -15.356 -0.712 1.00 1.00 N ATOM 0 H HIS A 79 76.433 -13.631 4.950 1.00 1.00 H new ATOM 0 HA HIS A 79 76.892 -12.487 2.300 1.00 1.00 H new ATOM 0 HB2 HIS A 79 79.225 -13.087 2.925 1.00 1.00 H new ATOM 0 HB3 HIS A 79 78.713 -14.709 3.346 1.00 1.00 H new ATOM 0 HD2 HIS A 79 79.120 -16.414 1.208 1.00 1.00 H new ATOM 0 HE1 HIS A 79 78.598 -13.633 -1.928 1.00 1.00 H new ATOM 0 HE2 HIS A 79 79.129 -16.082 -1.404 1.00 1.00 H new ATOM 1172 N GLU A 80 74.808 -14.186 2.747 1.00 1.00 N ATOM 1173 CA GLU A 80 73.784 -15.221 2.434 1.00 1.00 C ATOM 1174 C GLU A 80 72.410 -14.558 2.314 1.00 1.00 C ATOM 1175 O GLU A 80 71.551 -15.016 1.587 1.00 1.00 O ATOM 1176 CB GLU A 80 73.754 -16.262 3.554 1.00 1.00 C ATOM 1177 CG GLU A 80 72.864 -17.435 3.138 1.00 1.00 C ATOM 1178 CD GLU A 80 72.792 -18.452 4.279 1.00 1.00 C ATOM 1179 OE1 GLU A 80 73.842 -18.865 4.745 1.00 1.00 O ATOM 1180 OE2 GLU A 80 71.690 -18.800 4.668 1.00 1.00 O ATOM 0 H GLU A 80 74.438 -13.293 3.072 1.00 1.00 H new ATOM 0 HA GLU A 80 74.035 -15.709 1.492 1.00 1.00 H new ATOM 0 HB2 GLU A 80 74.764 -16.615 3.764 1.00 1.00 H new ATOM 0 HB3 GLU A 80 73.376 -15.813 4.472 1.00 1.00 H new ATOM 0 HG2 GLU A 80 71.864 -17.077 2.892 1.00 1.00 H new ATOM 0 HG3 GLU A 80 73.263 -17.907 2.240 1.00 1.00 H new ATOM 1187 N LEU A 81 72.198 -13.480 3.020 1.00 1.00 N ATOM 1188 CA LEU A 81 70.880 -12.786 2.944 1.00 1.00 C ATOM 1189 C LEU A 81 70.814 -11.957 1.659 1.00 1.00 C ATOM 1190 O LEU A 81 69.892 -11.195 1.447 1.00 1.00 O ATOM 1191 CB LEU A 81 70.716 -11.861 4.153 1.00 1.00 C ATOM 1192 CG LEU A 81 70.860 -12.671 5.443 1.00 1.00 C ATOM 1193 CD1 LEU A 81 70.788 -11.731 6.647 1.00 1.00 C ATOM 1194 CD2 LEU A 81 69.728 -13.696 5.529 1.00 1.00 C ATOM 0 H LEU A 81 72.880 -13.050 3.645 1.00 1.00 H new ATOM 0 HA LEU A 81 70.081 -13.527 2.943 1.00 1.00 H new ATOM 0 HB2 LEU A 81 71.466 -11.070 4.123 1.00 1.00 H new ATOM 0 HB3 LEU A 81 69.740 -11.376 4.123 1.00 1.00 H new ATOM 0 HG LEU A 81 71.820 -13.187 5.443 1.00 1.00 H new ATOM 0 HD11 LEU A 81 70.891 -12.308 7.566 1.00 1.00 H new ATOM 0 HD12 LEU A 81 71.594 -10.999 6.586 1.00 1.00 H new ATOM 0 HD13 LEU A 81 69.828 -11.214 6.648 1.00 1.00 H new ATOM 0 HD21 LEU A 81 69.829 -14.274 6.448 1.00 1.00 H new ATOM 0 HD22 LEU A 81 68.768 -13.179 5.530 1.00 1.00 H new ATOM 0 HD23 LEU A 81 69.778 -14.367 4.671 1.00 1.00 H new ATOM 1206 N ALA A 82 71.787 -12.098 0.801 1.00 1.00 N ATOM 1207 CA ALA A 82 71.782 -11.315 -0.468 1.00 1.00 C ATOM 1208 C ALA A 82 70.642 -11.798 -1.369 1.00 1.00 C ATOM 1209 O ALA A 82 70.592 -11.483 -2.541 1.00 1.00 O ATOM 1210 CB ALA A 82 73.122 -11.504 -1.187 1.00 1.00 C ATOM 0 H ALA A 82 72.585 -12.721 0.923 1.00 1.00 H new ATOM 0 HA ALA A 82 71.636 -10.259 -0.242 1.00 1.00 H new ATOM 0 HB1 ALA A 82 73.121 -10.932 -2.115 1.00 1.00 H new ATOM 0 HB2 ALA A 82 73.931 -11.154 -0.546 1.00 1.00 H new ATOM 0 HB3 ALA A 82 73.269 -12.560 -1.412 1.00 1.00 H new ATOM 1216 N GLN A 83 69.727 -12.562 -0.836 1.00 1.00 N ATOM 1217 CA GLN A 83 68.595 -13.063 -1.669 1.00 1.00 C ATOM 1218 C GLN A 83 69.154 -13.750 -2.918 1.00 1.00 C ATOM 1219 O GLN A 83 69.336 -14.951 -2.948 1.00 1.00 O ATOM 1220 CB GLN A 83 67.699 -11.884 -2.082 1.00 1.00 C ATOM 1221 CG GLN A 83 66.502 -11.793 -1.133 1.00 1.00 C ATOM 1222 CD GLN A 83 65.420 -12.778 -1.579 1.00 1.00 C ATOM 1223 OE1 GLN A 83 65.066 -12.825 -2.741 1.00 1.00 O ATOM 1224 NE2 GLN A 83 64.877 -13.574 -0.700 1.00 1.00 N ATOM 0 H GLN A 83 69.714 -12.861 0.139 1.00 1.00 H new ATOM 0 HA GLN A 83 68.005 -13.777 -1.095 1.00 1.00 H new ATOM 0 HB2 GLN A 83 68.268 -10.955 -2.056 1.00 1.00 H new ATOM 0 HB3 GLN A 83 67.354 -12.018 -3.107 1.00 1.00 H new ATOM 0 HG2 GLN A 83 66.815 -12.018 -0.113 1.00 1.00 H new ATOM 0 HG3 GLN A 83 66.105 -10.778 -1.128 1.00 1.00 H new ATOM 0 HE21 GLN A 83 65.174 -13.535 0.275 1.00 1.00 H new ATOM 0 HE22 GLN A 83 64.156 -14.235 -0.988 1.00 1.00 H new ATOM 1233 N TYR A 84 69.426 -12.997 -3.950 1.00 1.00 N ATOM 1234 CA TYR A 84 69.972 -13.603 -5.198 1.00 1.00 C ATOM 1235 C TYR A 84 71.090 -14.588 -4.846 1.00 1.00 C ATOM 1236 O TYR A 84 70.994 -15.769 -5.110 1.00 1.00 O ATOM 1237 CB TYR A 84 70.533 -12.499 -6.099 1.00 1.00 C ATOM 1238 CG TYR A 84 69.537 -11.368 -6.193 1.00 1.00 C ATOM 1239 CD1 TYR A 84 68.271 -11.595 -6.745 1.00 1.00 C ATOM 1240 CD2 TYR A 84 69.880 -10.093 -5.729 1.00 1.00 C ATOM 1241 CE1 TYR A 84 67.347 -10.546 -6.833 1.00 1.00 C ATOM 1242 CE2 TYR A 84 68.956 -9.044 -5.817 1.00 1.00 C ATOM 1243 CZ TYR A 84 67.690 -9.271 -6.369 1.00 1.00 C ATOM 1244 OH TYR A 84 66.780 -8.237 -6.455 1.00 1.00 O ATOM 0 H TYR A 84 69.293 -11.986 -3.982 1.00 1.00 H new ATOM 0 HA TYR A 84 69.175 -14.131 -5.721 1.00 1.00 H new ATOM 0 HB2 TYR A 84 71.478 -12.133 -5.697 1.00 1.00 H new ATOM 0 HB3 TYR A 84 70.742 -12.897 -7.092 1.00 1.00 H new ATOM 0 HD1 TYR A 84 68.007 -12.579 -7.103 1.00 1.00 H new ATOM 0 HD2 TYR A 84 70.857 -9.918 -5.303 1.00 1.00 H new ATOM 0 HE1 TYR A 84 66.370 -10.721 -7.259 1.00 1.00 H new ATOM 0 HE2 TYR A 84 69.220 -8.060 -5.459 1.00 1.00 H new ATOM 0 HH TYR A 84 67.177 -7.420 -6.087 1.00 1.00 H new ATOM 1254 N GLY A 85 72.150 -14.112 -4.253 1.00 1.00 N ATOM 1255 CA GLY A 85 73.272 -15.025 -3.888 1.00 1.00 C ATOM 1256 C GLY A 85 74.468 -14.197 -3.419 1.00 1.00 C ATOM 1257 O GLY A 85 75.303 -14.662 -2.668 1.00 1.00 O ATOM 0 H GLY A 85 72.289 -13.132 -4.005 1.00 1.00 H new ATOM 0 HA2 GLY A 85 72.957 -15.709 -3.100 1.00 1.00 H new ATOM 0 HA3 GLY A 85 73.552 -15.636 -4.746 1.00 1.00 H new ATOM 1261 N ILE A 86 74.555 -12.969 -3.852 1.00 1.00 N ATOM 1262 CA ILE A 86 75.694 -12.106 -3.428 1.00 1.00 C ATOM 1263 C ILE A 86 75.317 -10.636 -3.627 1.00 1.00 C ATOM 1264 O ILE A 86 75.686 -9.779 -2.848 1.00 1.00 O ATOM 1265 CB ILE A 86 76.931 -12.435 -4.267 1.00 1.00 C ATOM 1266 CG1 ILE A 86 78.077 -11.502 -3.871 1.00 1.00 C ATOM 1267 CG2 ILE A 86 76.609 -12.243 -5.750 1.00 1.00 C ATOM 1268 CD1 ILE A 86 79.397 -12.054 -4.414 1.00 1.00 C ATOM 0 H ILE A 86 73.886 -12.526 -4.482 1.00 1.00 H new ATOM 0 HA ILE A 86 75.915 -12.288 -2.376 1.00 1.00 H new ATOM 0 HB ILE A 86 77.225 -13.470 -4.090 1.00 1.00 H new ATOM 0 HG12 ILE A 86 77.899 -10.502 -4.266 1.00 1.00 H new ATOM 0 HG13 ILE A 86 78.128 -11.411 -2.786 1.00 1.00 H new ATOM 0 HG21 ILE A 86 77.490 -12.477 -6.347 1.00 1.00 H new ATOM 0 HG22 ILE A 86 75.792 -12.906 -6.034 1.00 1.00 H new ATOM 0 HG23 ILE A 86 76.315 -11.208 -5.928 1.00 1.00 H new ATOM 0 HD11 ILE A 86 80.213 -11.389 -4.132 1.00 1.00 H new ATOM 0 HD12 ILE A 86 79.576 -13.045 -3.997 1.00 1.00 H new ATOM 0 HD13 ILE A 86 79.344 -12.122 -5.501 1.00 1.00 H new ATOM 1280 N CYS A 87 74.584 -10.338 -4.664 1.00 1.00 N ATOM 1281 CA CYS A 87 74.181 -8.925 -4.913 1.00 1.00 C ATOM 1282 C CYS A 87 72.979 -8.575 -4.033 1.00 1.00 C ATOM 1283 CB CYS A 87 73.805 -8.758 -6.386 1.00 1.00 C ATOM 1284 SG CYS A 87 75.311 -8.610 -7.380 1.00 1.00 S ATOM 0 H CYS A 87 74.246 -11.013 -5.351 1.00 1.00 H new ATOM 0 HA CYS A 87 75.010 -8.260 -4.672 1.00 1.00 H new ATOM 0 HB2 CYS A 87 73.217 -9.613 -6.722 1.00 1.00 H new ATOM 0 HB3 CYS A 87 73.183 -7.873 -6.515 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 54.523 7.181 14.510 1.00 1.00 C HETATM 1291 O1G RCY A 110 52.610 2.279 14.670 1.00 1.00 O HETATM 1292 O1H RCY A 110 55.819 5.675 13.984 1.00 1.00 O HETATM 1293 O1J RCY A 110 53.574 7.352 11.657 1.00 1.00 O HETATM 1294 C1L RCY A 110 54.984 2.245 14.076 1.00 1.00 C HETATM 1295 C1M RCY A 110 51.432 5.209 14.008 1.00 1.00 C HETATM 1296 C1P RCY A 110 53.636 2.902 14.402 1.00 1.00 C HETATM 1297 C1Q RCY A 110 55.156 4.645 13.872 1.00 1.00 C HETATM 1298 N1R RCY A 110 53.727 4.426 14.353 1.00 1.00 N HETATM 1299 C1S RCY A 110 55.615 3.351 13.224 1.00 1.00 C HETATM 1300 C1U RCY A 110 52.664 5.472 14.695 1.00 1.00 C HETATM 1301 C1V RCY A 110 52.127 7.942 14.840 1.00 1.00 C HETATM 1302 N1V RCY A 110 52.801 6.754 12.741 1.00 1.00 N HETATM 1303 C1W RCY A 110 51.565 5.863 12.627 1.00 1.00 C HETATM 1304 C1X RCY A 110 53.048 6.879 14.238 1.00 1.00 C HETATM 1305 C1Y RCY A 110 50.327 6.705 12.308 1.00 1.00 C HETATM 1306 C1Z RCY A 110 51.801 4.818 11.537 1.00 1.00 C HETATM 0 H1ZB RCY A 110 52.719 4.270 11.751 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 50.962 4.123 11.511 1.00 1.00 H new HETATM 0 H1YB RCY A 110 49.443 6.068 12.313 1.00 1.00 H new HETATM 0 H1YA RCY A 110 50.215 7.487 13.059 1.00 1.00 H new HETATM 0 H1VB RCY A 110 52.273 7.981 15.919 1.00 1.00 H new HETATM 0 H1VA RCY A 110 52.361 8.914 14.406 1.00 1.00 H new HETATM 0 H1MA RCY A 110 51.259 4.137 13.916 1.00 1.00 H new HETATM 0 H1LA RCY A 110 55.567 2.023 14.970 1.00 1.00 H new HETATM 0 H1CB RCY A 110 54.719 7.103 15.579 1.00 1.00 H new HETATM 0 H1CA RCY A 110 55.146 6.465 13.974 1.00 1.00 H new HETATM 0 H1Z RCY A 110 51.891 5.314 10.571 1.00 1.00 H new HETATM 0 H1Y RCY A 110 50.440 7.161 11.324 1.00 1.00 H new HETATM 0 H1V RCY A 110 51.089 7.689 14.624 1.00 1.00 H new HETATM 0 H1U RCY A 110 52.569 5.414 15.779 1.00 1.00 H new HETATM 0 H1S RCY A 110 55.286 3.289 12.187 1.00 1.00 H new HETATM 0 H1M RCY A 110 50.585 5.623 14.555 1.00 1.00 H new HETATM 0 H1L RCY A 110 54.871 1.309 13.528 1.00 1.00 H new HETATM 0 H1C RCY A 110 54.756 8.190 14.171 1.00 1.00 H new HETATM 1309 C1C RCY A 121 72.457 4.078 12.688 1.00 1.00 C HETATM 1310 O1G RCY A 121 71.263 6.291 11.688 1.00 1.00 O HETATM 1311 O1H RCY A 121 75.256 7.829 9.692 1.00 1.00 O HETATM 1312 O1J RCY A 121 74.737 2.262 13.446 1.00 1.00 O HETATM 1313 C1L RCY A 121 71.882 8.381 10.576 1.00 1.00 C HETATM 1314 C1M RCY A 121 75.658 5.295 11.286 1.00 1.00 C HETATM 1315 C1P RCY A 121 72.126 6.975 11.140 1.00 1.00 C HETATM 1316 C1Q RCY A 121 74.208 7.777 10.332 1.00 1.00 C HETATM 1317 N1R RCY A 121 73.574 6.531 10.938 1.00 1.00 N HETATM 1318 C1S RCY A 121 73.303 8.949 10.667 1.00 1.00 C HETATM 1319 C1U RCY A 121 74.228 5.185 11.257 1.00 1.00 C HETATM 1320 C1V RCY A 121 74.072 5.735 13.723 1.00 1.00 C HETATM 1321 N1V RCY A 121 74.905 3.561 12.800 1.00 1.00 N HETATM 1322 C1W RCY A 121 76.160 4.113 12.127 1.00 1.00 C HETATM 1323 C1X RCY A 121 73.869 4.666 12.648 1.00 1.00 C HETATM 1324 C1Y RCY A 121 77.166 4.590 13.178 1.00 1.00 C HETATM 1325 C1Z RCY A 121 76.775 3.026 11.246 1.00 1.00 C HETATM 0 H1ZB RCY A 121 76.026 2.659 10.545 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 77.618 3.440 10.692 1.00 1.00 H new HETATM 0 H1YB RCY A 121 78.017 5.057 12.682 1.00 1.00 H new HETATM 0 H1YA RCY A 121 76.688 5.315 13.837 1.00 1.00 H new HETATM 0 H1VB RCY A 121 73.360 6.546 13.569 1.00 1.00 H new HETATM 0 H1VA RCY A 121 73.913 5.295 14.708 1.00 1.00 H new HETATM 0 H1MA RCY A 121 76.072 5.260 10.278 1.00 1.00 H new HETATM 0 H1LA RCY A 121 71.505 8.361 9.553 1.00 1.00 H new HETATM 0 H1CB RCY A 121 71.735 4.847 12.413 1.00 1.00 H new HETATM 0 H1CA RCY A 121 72.389 3.248 11.985 1.00 1.00 H new HETATM 0 H1Z RCY A 121 77.121 2.203 11.872 1.00 1.00 H new HETATM 0 H1Y RCY A 121 77.511 3.738 13.765 1.00 1.00 H new HETATM 0 H1V RCY A 121 75.087 6.126 13.660 1.00 1.00 H new HETATM 0 H1U RCY A 121 73.866 4.518 10.475 1.00 1.00 H new HETATM 0 H1S RCY A 121 73.511 9.338 11.664 1.00 1.00 H new HETATM 0 H1M RCY A 121 75.967 6.244 11.724 1.00 1.00 H new HETATM 0 H1L RCY A 121 71.166 8.950 11.169 1.00 1.00 H new HETATM 0 H1C RCY A 121 72.240 3.720 13.694 1.00 1.00 H new HETATM 1328 C1C RCY A 130 74.617 4.676 -13.558 1.00 1.00 C HETATM 1329 O1G RCY A 130 77.128 2.267 -10.022 1.00 1.00 O HETATM 1330 O1H RCY A 130 76.758 6.689 -11.637 1.00 1.00 O HETATM 1331 O1J RCY A 130 74.772 2.562 -15.697 1.00 1.00 O HETATM 1332 C1L RCY A 130 77.134 4.456 -8.928 1.00 1.00 C HETATM 1333 C1M RCY A 130 77.502 2.424 -13.008 1.00 1.00 C HETATM 1334 C1P RCY A 130 77.093 3.492 -10.121 1.00 1.00 C HETATM 1335 C1Q RCY A 130 77.106 5.697 -10.999 1.00 1.00 C HETATM 1336 N1R RCY A 130 77.001 4.244 -11.448 1.00 1.00 N HETATM 1337 C1S RCY A 130 77.722 5.695 -9.612 1.00 1.00 C HETATM 1338 C1U RCY A 130 76.845 3.692 -12.866 1.00 1.00 C HETATM 1339 C1V RCY A 130 74.692 2.568 -12.152 1.00 1.00 C HETATM 1340 N1V RCY A 130 75.591 2.565 -14.489 1.00 1.00 N HETATM 1341 C1W RCY A 130 76.841 1.733 -14.207 1.00 1.00 C HETATM 1342 C1X RCY A 130 75.391 3.397 -13.231 1.00 1.00 C HETATM 1343 C1Y RCY A 130 76.456 0.293 -13.853 1.00 1.00 C HETATM 1344 C1Z RCY A 130 77.750 1.761 -15.435 1.00 1.00 C HETATM 0 H1ZB RCY A 130 77.964 2.795 -15.706 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 78.683 1.245 -15.209 1.00 1.00 H new HETATM 0 H1YB RCY A 130 77.350 -0.264 -13.573 1.00 1.00 H new HETATM 0 H1YA RCY A 130 75.755 0.298 -13.018 1.00 1.00 H new HETATM 0 H1VB RCY A 130 74.606 3.157 -11.239 1.00 1.00 H new HETATM 0 H1VA RCY A 130 73.697 2.286 -12.497 1.00 1.00 H new HETATM 0 H1MA RCY A 130 78.571 2.556 -13.175 1.00 1.00 H new HETATM 0 H1LA RCY A 130 76.146 4.641 -8.507 1.00 1.00 H new HETATM 0 H1CB RCY A 130 74.625 5.338 -12.692 1.00 1.00 H new HETATM 0 H1CA RCY A 130 75.086 5.179 -14.403 1.00 1.00 H new HETATM 0 H1Z RCY A 130 77.252 1.263 -16.267 1.00 1.00 H new HETATM 0 H1Y RCY A 130 75.988 -0.181 -14.716 1.00 1.00 H new HETATM 0 H1V RCY A 130 75.274 1.669 -11.950 1.00 1.00 H new HETATM 0 H1U RCY A 130 77.269 4.467 -13.504 1.00 1.00 H new HETATM 0 H1S RCY A 130 78.810 5.642 -9.662 1.00 1.00 H new HETATM 0 H1M RCY A 130 77.392 1.825 -12.104 1.00 1.00 H new HETATM 0 H1L RCY A 130 77.763 4.089 -8.117 1.00 1.00 H new HETATM 0 H1C RCY A 130 73.588 4.423 -13.812 1.00 1.00 H new HETATM 1347 C1C RCY A 138 81.099 -1.554 -5.134 1.00 1.00 C HETATM 1348 O1G RCY A 138 82.648 -2.354 -3.419 1.00 1.00 O HETATM 1349 O1H RCY A 138 85.771 -2.059 -6.949 1.00 1.00 O HETATM 1350 O1J RCY A 138 81.820 0.616 -7.093 1.00 1.00 O HETATM 1351 C1L RCY A 138 85.008 -1.712 -3.519 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.141 -2.888 -7.917 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.672 -2.211 -4.086 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.252 -2.273 -5.855 1.00 1.00 C HETATM 1355 N1R RCY A 138 83.771 -2.507 -5.581 1.00 1.00 N HETATM 1356 C1S RCY A 138 85.973 -2.353 -4.522 1.00 1.00 C HETATM 1357 C1U RCY A 138 82.674 -2.930 -6.560 1.00 1.00 C HETATM 1358 C1V RCY A 138 80.282 -2.572 -7.307 1.00 1.00 C HETATM 1359 N1V RCY A 138 82.057 -0.806 -7.324 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.944 -1.443 -8.392 1.00 1.00 C HETATM 1361 C1X RCY A 138 81.476 -1.983 -6.553 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.245 -1.415 -9.754 1.00 1.00 C HETATM 1363 C1Z RCY A 138 84.274 -0.692 -8.452 1.00 1.00 C HETATM 0 H1ZB RCY A 138 84.726 -0.672 -7.460 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 84.946 -1.196 -9.147 1.00 1.00 H new HETATM 0 H1YB RCY A 138 82.852 -1.948 -10.486 1.00 1.00 H new HETATM 0 H1YA RCY A 138 81.270 -1.896 -9.673 1.00 1.00 H new HETATM 0 H1VB RCY A 138 79.910 -3.447 -6.774 1.00 1.00 H new HETATM 0 H1VA RCY A 138 79.491 -1.826 -7.375 1.00 1.00 H new HETATM 0 H1MA RCY A 138 84.190 -3.178 -7.977 1.00 1.00 H new HETATM 0 H1LA RCY A 138 85.077 -0.624 -3.510 1.00 1.00 H new HETATM 0 H1CB RCY A 138 80.843 -2.434 -4.544 1.00 1.00 H new HETATM 0 H1CA RCY A 138 81.943 -1.041 -4.673 1.00 1.00 H new HETATM 0 H1Z RCY A 138 84.100 0.329 -8.792 1.00 1.00 H new HETATM 0 H1Y RCY A 138 82.114 -0.381 -10.075 1.00 1.00 H new HETATM 0 H1V RCY A 138 80.593 -2.864 -8.310 1.00 1.00 H new HETATM 0 H1U RCY A 138 82.395 -3.932 -6.235 1.00 1.00 H new HETATM 0 H1S RCY A 138 86.195 -3.386 -4.253 1.00 1.00 H new HETATM 0 H1M RCY A 138 82.582 -3.583 -8.543 1.00 1.00 H new HETATM 0 H1L RCY A 138 85.181 -2.051 -2.498 1.00 1.00 H new HETATM 0 H1C RCY A 138 80.242 -0.881 -5.173 1.00 1.00 H new HETATM 1366 C1C RCY A 150 82.997 0.443 6.693 1.00 1.00 C HETATM 1367 O1G RCY A 150 81.910 2.619 3.094 1.00 1.00 O HETATM 1368 O1H RCY A 150 85.126 -0.769 3.785 1.00 1.00 O HETATM 1369 O1J RCY A 150 80.935 2.630 6.500 1.00 1.00 O HETATM 1370 C1L RCY A 150 84.286 2.427 2.540 1.00 1.00 C HETATM 1371 C1M RCY A 150 80.738 -0.098 3.813 1.00 1.00 C HETATM 1372 C1P RCY A 150 82.953 1.970 3.148 1.00 1.00 C HETATM 1373 C1Q RCY A 150 84.575 0.327 3.697 1.00 1.00 C HETATM 1374 N1R RCY A 150 83.083 0.607 3.827 1.00 1.00 N HETATM 1375 C1S RCY A 150 85.261 1.656 3.437 1.00 1.00 C HETATM 1376 C1U RCY A 150 82.001 -0.260 4.474 1.00 1.00 C HETATM 1377 C1V RCY A 150 80.856 -0.913 6.636 1.00 1.00 C HETATM 1378 N1V RCY A 150 80.910 1.409 5.700 1.00 1.00 N HETATM 1379 C1W RCY A 150 80.074 1.127 4.453 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.712 0.134 5.922 1.00 1.00 C HETATM 1381 C1Y RCY A 150 78.626 0.814 4.840 1.00 1.00 C HETATM 1382 C1Z RCY A 150 80.134 2.340 3.525 1.00 1.00 C HETATM 0 H1ZB RCY A 150 81.175 2.583 3.310 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 79.615 2.112 2.594 1.00 1.00 H new HETATM 0 H1YB RCY A 150 78.064 0.533 3.949 1.00 1.00 H new HETATM 0 H1YA RCY A 150 78.610 -0.009 5.554 1.00 1.00 H new HETATM 0 H1VB RCY A 150 81.423 -1.838 6.738 1.00 1.00 H new HETATM 0 H1VA RCY A 150 80.580 -0.545 7.624 1.00 1.00 H new HETATM 0 H1MA RCY A 150 80.875 0.049 2.742 1.00 1.00 H new HETATM 0 H1LA RCY A 150 84.381 2.154 1.489 1.00 1.00 H new HETATM 0 H1CB RCY A 150 83.638 -0.438 6.700 1.00 1.00 H new HETATM 0 H1CA RCY A 150 83.521 1.269 6.212 1.00 1.00 H new HETATM 0 H1Z RCY A 150 79.655 3.192 4.008 1.00 1.00 H new HETATM 0 H1Y RCY A 150 78.172 1.695 5.293 1.00 1.00 H new HETATM 0 H1V RCY A 150 79.954 -1.103 6.055 1.00 1.00 H new HETATM 0 H1U RCY A 150 82.393 -1.275 4.405 1.00 1.00 H new HETATM 0 H1S RCY A 150 85.452 2.192 4.367 1.00 1.00 H new HETATM 0 H1M RCY A 150 80.118 -0.986 3.936 1.00 1.00 H new HETATM 0 H1L RCY A 150 84.425 3.506 2.603 1.00 1.00 H new HETATM 0 H1C RCY A 150 82.749 0.719 7.718 1.00 1.00 H new HETATM 1385 C1C RCY A 160 74.774 1.880 -0.051 1.00 1.00 C HETATM 1386 O1G RCY A 160 73.482 2.516 -2.569 1.00 1.00 O HETATM 1387 O1H RCY A 160 75.081 6.914 -1.939 1.00 1.00 O HETATM 1388 O1J RCY A 160 73.940 2.152 2.829 1.00 1.00 O HETATM 1389 C1L RCY A 160 73.976 4.355 -4.106 1.00 1.00 C HETATM 1390 C1M RCY A 160 73.471 5.272 0.649 1.00 1.00 C HETATM 1391 C1P RCY A 160 73.840 3.681 -2.735 1.00 1.00 C HETATM 1392 C1Q RCY A 160 74.450 5.941 -2.348 1.00 1.00 C HETATM 1393 N1R RCY A 160 74.203 4.637 -1.600 1.00 1.00 N HETATM 1394 C1S RCY A 160 73.772 5.819 -3.700 1.00 1.00 C HETATM 1395 C1U RCY A 160 74.297 4.367 -0.097 1.00 1.00 C HETATM 1396 C1V RCY A 160 72.393 2.711 -0.313 1.00 1.00 C HETATM 1397 N1V RCY A 160 73.664 3.150 1.800 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.202 4.593 1.998 1.00 1.00 C HETATM 1399 C1X RCY A 160 73.772 2.985 0.290 1.00 1.00 C HETATM 1400 C1Y RCY A 160 71.709 4.636 2.334 1.00 1.00 C HETATM 1401 C1Z RCY A 160 74.025 5.233 3.116 1.00 1.00 C HETATM 0 H1ZB RCY A 160 75.086 5.139 2.886 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 73.765 6.288 3.201 1.00 1.00 H new HETATM 0 H1YB RCY A 160 71.378 5.673 2.389 1.00 1.00 H new HETATM 0 H1YA RCY A 160 71.146 4.116 1.559 1.00 1.00 H new HETATM 0 H1VB RCY A 160 72.476 2.649 -1.398 1.00 1.00 H new HETATM 0 H1VA RCY A 160 72.007 1.769 0.076 1.00 1.00 H new HETATM 0 H1MA RCY A 160 73.971 6.230 0.789 1.00 1.00 H new HETATM 0 H1LA RCY A 160 74.950 4.180 -4.562 1.00 1.00 H new HETATM 0 H1CB RCY A 160 74.969 1.884 -1.123 1.00 1.00 H new HETATM 0 H1CA RCY A 160 75.706 2.055 0.487 1.00 1.00 H new HETATM 0 H1Z RCY A 160 73.812 4.729 4.059 1.00 1.00 H new HETATM 0 H1Y RCY A 160 71.538 4.150 3.294 1.00 1.00 H new HETATM 0 H1V RCY A 160 71.712 3.520 -0.047 1.00 1.00 H new HETATM 0 H1U RCY A 160 75.358 4.472 0.129 1.00 1.00 H new HETATM 0 H1S RCY A 160 72.713 6.068 -3.636 1.00 1.00 H new HETATM 0 H1M RCY A 160 72.539 5.473 0.121 1.00 1.00 H new HETATM 0 H1L RCY A 160 73.225 4.010 -4.817 1.00 1.00 H new HETATM 0 H1C RCY A 160 74.363 0.913 0.240 1.00 1.00 H new HETATM 1404 C1C RCY A 168 66.568 6.058 -2.621 1.00 1.00 C HETATM 1405 O1G RCY A 168 71.010 6.026 -0.615 1.00 1.00 O HETATM 1406 O1H RCY A 168 67.337 3.490 -2.157 1.00 1.00 O HETATM 1407 O1J RCY A 168 64.968 3.972 -1.153 1.00 1.00 O HETATM 1408 C1L RCY A 168 70.828 3.945 -1.889 1.00 1.00 C HETATM 1409 C1M RCY A 168 67.532 5.901 0.948 1.00 1.00 C HETATM 1410 C1P RCY A 168 70.297 5.154 -1.109 1.00 1.00 C HETATM 1411 C1Q RCY A 168 68.426 3.814 -1.685 1.00 1.00 C HETATM 1412 N1R RCY A 168 68.771 5.142 -1.023 1.00 1.00 N HETATM 1413 C1S RCY A 168 69.679 2.958 -1.657 1.00 1.00 C HETATM 1414 C1U RCY A 168 67.825 6.186 -0.427 1.00 1.00 C HETATM 1415 C1V RCY A 168 65.635 7.426 -0.702 1.00 1.00 C HETATM 1416 N1V RCY A 168 65.846 4.939 -0.500 1.00 1.00 N HETATM 1417 C1W RCY A 168 66.359 4.912 0.938 1.00 1.00 C HETATM 1418 C1X RCY A 168 66.455 6.198 -1.102 1.00 1.00 C HETATM 1419 C1Y RCY A 168 65.263 5.367 1.906 1.00 1.00 C HETATM 1420 C1Z RCY A 168 66.824 3.496 1.277 1.00 1.00 C HETATM 0 H1ZB RCY A 168 67.559 3.169 0.542 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 67.275 3.489 2.269 1.00 1.00 H new HETATM 0 H1YB RCY A 168 65.670 5.422 2.916 1.00 1.00 H new HETATM 0 H1YA RCY A 168 64.899 6.350 1.607 1.00 1.00 H new HETATM 0 H1VB RCY A 168 66.112 8.325 -1.093 1.00 1.00 H new HETATM 0 H1VA RCY A 168 64.629 7.341 -1.113 1.00 1.00 H new HETATM 0 H1MA RCY A 168 68.399 5.472 1.450 1.00 1.00 H new HETATM 0 H1LA RCY A 168 70.982 4.165 -2.945 1.00 1.00 H new HETATM 0 H1CA RCY A 168 67.060 5.116 -2.864 1.00 1.00 H new HETATM 0 H1Z RCY A 168 65.970 2.819 1.262 1.00 1.00 H new HETATM 0 H1Y RCY A 168 64.440 4.653 1.885 1.00 1.00 H new HETATM 0 H1V RCY A 168 65.579 7.488 0.385 1.00 1.00 H new HETATM 0 H1U RCY A 168 68.348 7.132 -0.565 1.00 1.00 H new HETATM 0 H1S RCY A 168 69.786 2.443 -0.702 1.00 1.00 H new HETATM 0 H1M RCY A 168 67.270 6.811 1.487 1.00 1.00 H new HETATM 0 H1L RCY A 168 71.777 3.580 -1.497 1.00 1.00 H new HETATM 0 H1C RCY A 168 65.572 6.071 -3.063 1.00 1.00 H new HETATM 1423 C1C RCY A 173 69.614 -2.835 -6.180 1.00 1.00 C HETATM 1424 O1G RCY A 173 71.171 -3.087 -4.786 1.00 1.00 O HETATM 1425 O1H RCY A 173 70.356 -7.709 -4.264 1.00 1.00 O HETATM 1426 O1J RCY A 173 72.134 -3.146 -7.797 1.00 1.00 O HETATM 1427 C1L RCY A 173 71.819 -4.720 -3.083 1.00 1.00 C HETATM 1428 C1M RCY A 173 70.085 -6.343 -7.260 1.00 1.00 C HETATM 1429 C1P RCY A 173 71.114 -4.238 -4.358 1.00 1.00 C HETATM 1430 C1Q RCY A 173 70.508 -6.510 -4.036 1.00 1.00 C HETATM 1431 N1R RCY A 173 70.331 -5.367 -5.028 1.00 1.00 N HETATM 1432 C1S RCY A 173 70.908 -5.894 -2.708 1.00 1.00 C HETATM 1433 C1U RCY A 173 69.565 -5.361 -6.352 1.00 1.00 C HETATM 1434 C1V RCY A 173 68.712 -3.947 -8.272 1.00 1.00 C HETATM 1435 N1V RCY A 173 71.125 -4.191 -7.646 1.00 1.00 N HETATM 1436 C1W RCY A 173 71.257 -5.673 -7.988 1.00 1.00 C HETATM 1437 C1X RCY A 173 69.707 -4.044 -7.113 1.00 1.00 C HETATM 1438 C1Y RCY A 173 71.144 -5.886 -9.500 1.00 1.00 C HETATM 1439 C1Z RCY A 173 72.600 -6.189 -7.471 1.00 1.00 C HETATM 0 H1ZB RCY A 173 72.686 -5.975 -6.406 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 72.662 -7.265 -7.631 1.00 1.00 H new HETATM 0 H1YB RCY A 173 71.156 -6.954 -9.719 1.00 1.00 H new HETATM 0 H1YA RCY A 173 70.211 -5.453 -9.860 1.00 1.00 H new HETATM 0 H1VB RCY A 173 67.697 -3.898 -7.877 1.00 1.00 H new HETATM 0 H1VA RCY A 173 68.919 -3.049 -8.855 1.00 1.00 H new HETATM 0 H1MA RCY A 173 70.417 -7.232 -6.724 1.00 1.00 H new HETATM 0 H1LA RCY A 173 72.847 -5.032 -3.267 1.00 1.00 H new HETATM 0 H1CB RCY A 173 68.647 -2.837 -5.678 1.00 1.00 H new HETATM 0 H1CA RCY A 173 70.409 -2.887 -5.436 1.00 1.00 H new HETATM 0 H1Z RCY A 173 73.410 -5.695 -8.007 1.00 1.00 H new HETATM 0 H1Y RCY A 173 71.984 -5.403 -9.999 1.00 1.00 H new HETATM 0 H1V RCY A 173 68.811 -4.825 -8.911 1.00 1.00 H new HETATM 0 H1U RCY A 173 68.530 -5.549 -6.065 1.00 1.00 H new HETATM 0 H1S RCY A 173 70.035 -5.555 -2.150 1.00 1.00 H new HETATM 0 H1M RCY A 173 69.320 -6.664 -7.967 1.00 1.00 H new HETATM 0 H1L RCY A 173 71.852 -3.953 -2.309 1.00 1.00 H new HETATM 0 H1C RCY A 173 69.720 -1.918 -6.760 1.00 1.00 H new HETATM 1442 C1C RCY A 176 72.232 0.594 5.186 1.00 1.00 C HETATM 1443 O1G RCY A 176 71.565 -3.468 8.864 1.00 1.00 O HETATM 1444 O1H RCY A 176 74.007 -1.471 5.350 1.00 1.00 O HETATM 1445 O1J RCY A 176 70.335 2.605 6.381 1.00 1.00 O HETATM 1446 C1L RCY A 176 73.640 -4.068 7.714 1.00 1.00 C HETATM 1447 C1M RCY A 176 70.627 -0.734 8.244 1.00 1.00 C HETATM 1448 C1P RCY A 176 72.385 -3.226 7.979 1.00 1.00 C HETATM 1449 C1Q RCY A 176 73.465 -2.297 6.082 1.00 1.00 C HETATM 1450 N1R RCY A 176 72.280 -2.052 7.008 1.00 1.00 N HETATM 1451 C1S RCY A 176 73.856 -3.756 6.229 1.00 1.00 C HETATM 1452 C1U RCY A 176 71.255 -0.917 6.967 1.00 1.00 C HETATM 1453 C1V RCY A 176 73.093 0.717 7.567 1.00 1.00 C HETATM 1454 N1V RCY A 176 70.732 1.363 7.038 1.00 1.00 N HETATM 1455 C1W RCY A 176 70.082 0.699 8.251 1.00 1.00 C HETATM 1456 C1X RCY A 176 71.886 0.442 6.668 1.00 1.00 C HETATM 1457 C1Y RCY A 176 70.486 1.423 9.538 1.00 1.00 C HETATM 1458 C1Z RCY A 176 68.563 0.717 8.077 1.00 1.00 C HETATM 0 H1ZB RCY A 176 68.300 0.251 7.127 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 68.097 0.165 8.893 1.00 1.00 H new HETATM 0 H1YB RCY A 176 70.083 0.888 10.398 1.00 1.00 H new HETATM 0 H1YA RCY A 176 71.573 1.459 9.609 1.00 1.00 H new HETATM 0 H1VB RCY A 176 73.891 0.014 7.329 1.00 1.00 H new HETATM 0 H1VA RCY A 176 73.445 1.735 7.402 1.00 1.00 H new HETATM 0 H1MA RCY A 176 69.824 -1.457 8.390 1.00 1.00 H new HETATM 0 H1LA RCY A 176 74.485 -3.764 8.332 1.00 1.00 H new HETATM 0 H1CB RCY A 176 72.940 -0.183 4.896 1.00 1.00 H new HETATM 0 H1CA RCY A 176 71.325 0.500 4.589 1.00 1.00 H new HETATM 0 H1Z RCY A 176 68.208 1.747 8.086 1.00 1.00 H new HETATM 0 H1Y RCY A 176 70.090 2.438 9.524 1.00 1.00 H new HETATM 0 H1V RCY A 176 72.804 0.598 8.611 1.00 1.00 H new HETATM 0 H1U RCY A 176 70.556 -1.215 6.186 1.00 1.00 H new HETATM 0 H1S RCY A 176 73.242 -4.396 5.596 1.00 1.00 H new HETATM 0 H1M RCY A 176 71.341 -0.883 9.054 1.00 1.00 H new HETATM 0 H1L RCY A 176 73.477 -5.130 7.898 1.00 1.00 H new HETATM 0 H1C RCY A 176 72.678 1.574 5.015 1.00 1.00 H new HETATM 1461 C1C RCY A 187 74.142 -5.440 -11.451 1.00 1.00 C HETATM 1462 O1G RCY A 187 71.862 -9.790 -11.002 1.00 1.00 O HETATM 1463 O1H RCY A 187 75.556 -7.050 -9.932 1.00 1.00 O HETATM 1464 O1J RCY A 187 77.025 -6.144 -11.965 1.00 1.00 O HETATM 1465 C1L RCY A 187 73.172 -9.466 -8.961 1.00 1.00 C HETATM 1466 C1M RCY A 187 74.426 -8.539 -13.453 1.00 1.00 C HETATM 1467 C1P RCY A 187 72.808 -9.246 -10.434 1.00 1.00 C HETATM 1468 C1Q RCY A 187 74.784 -8.004 -10.007 1.00 1.00 C HETATM 1469 N1R RCY A 187 73.767 -8.268 -11.110 1.00 1.00 N HETATM 1470 C1S RCY A 187 74.669 -9.142 -9.009 1.00 1.00 C HETATM 1471 C1U RCY A 187 73.727 -7.694 -12.528 1.00 1.00 C HETATM 1472 C1V RCY A 187 74.144 -5.660 -13.977 1.00 1.00 C HETATM 1473 N1V RCY A 187 75.893 -6.811 -12.603 1.00 1.00 N HETATM 1474 C1W RCY A 187 75.901 -8.127 -13.378 1.00 1.00 C HETATM 1475 C1X RCY A 187 74.443 -6.349 -12.644 1.00 1.00 C HETATM 1476 C1Y RCY A 187 76.474 -7.919 -14.783 1.00 1.00 C HETATM 1477 C1Z RCY A 187 76.727 -9.157 -12.607 1.00 1.00 C HETATM 0 H1ZB RCY A 187 76.340 -9.247 -11.592 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 76.662 -10.123 -13.107 1.00 1.00 H new HETATM 0 H1YB RCY A 187 76.395 -8.847 -15.349 1.00 1.00 H new HETATM 0 H1YA RCY A 187 75.914 -7.135 -15.292 1.00 1.00 H new HETATM 0 H1VB RCY A 187 73.090 -5.385 -14.016 1.00 1.00 H new HETATM 0 H1VA RCY A 187 74.757 -4.763 -14.069 1.00 1.00 H new HETATM 0 H1MA RCY A 187 74.301 -9.590 -13.191 1.00 1.00 H new HETATM 0 H1LA RCY A 187 72.623 -8.803 -8.292 1.00 1.00 H new HETATM 0 H1CB RCY A 187 73.070 -5.253 -11.398 1.00 1.00 H new HETATM 0 H1CA RCY A 187 74.472 -5.925 -10.532 1.00 1.00 H new HETATM 0 H1Z RCY A 187 77.768 -8.836 -12.572 1.00 1.00 H new HETATM 0 H1Y RCY A 187 77.522 -7.627 -14.709 1.00 1.00 H new HETATM 0 H1V RCY A 187 74.372 -6.341 -14.797 1.00 1.00 H new HETATM 0 H1U RCY A 187 72.664 -7.603 -12.751 1.00 1.00 H new HETATM 0 H1S RCY A 187 75.252 -10.007 -9.326 1.00 1.00 H new HETATM 0 H1M RCY A 187 74.038 -8.414 -14.464 1.00 1.00 H new HETATM 0 H1L RCY A 187 72.976 -10.486 -8.631 1.00 1.00 H new HETATM 0 H1C RCY A 187 74.670 -4.494 -11.572 1.00 1.00 H new