USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 756 hydrogens (18 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 Set 1.1: A 36 GLN : amide:sc= -1.56! C(o=-5.8!,f=-8.8!) USER MOD Set 1.2: A 48 ASN : amide:sc= -4.25! K(o=-5.8!,f=-8.8) USER MOD Single : A 1 ALA N :NH3+ -178:sc= 0 (180deg=-0.00505) USER MOD Single : A 4 THR OG1 : rot 20:sc= -0.481 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -104:sc= 0.00337 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -160:sc= 0.0784 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -10.2! C(o=-10!,f=-11!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0734 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -160:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -145:sc= -5.18! USER MOD Single : A 60 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.6!) USER MOD Single : A 62 SER OG : rot -3:sc= -0.465 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 130:sc= -0.899 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -40:sc= 0.866 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 29:sc= -1.42! USER MOD Single : A 89 THR OG1 : rot 39:sc= 1.82 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -81:sc= 0.973 USER MOD Single : A 103 ASN : amide:sc= -2.56! X(o=-2.6!,f=-2.2) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.0374 K(o=-0.037,f=-0.55) USER MOD Single : A 130 NCZ O2 : rot -118:sc= 0.793 USER MOD Single : A 130 NCZ O5 : rot 180:sc= 0 USER MOD Single : A 130 NCZ O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.579 -5.455 13.833 1.00 0.00 N ATOM 2 CA ALA A 1 -10.305 -6.585 13.279 1.00 0.00 C ATOM 3 C ALA A 1 -10.372 -6.447 11.756 1.00 0.00 C ATOM 4 O ALA A 1 -9.961 -7.348 11.029 1.00 0.00 O ATOM 5 CB ALA A 1 -11.693 -6.666 13.918 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.502 -5.564 14.864 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.626 -5.417 13.417 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.088 -4.575 13.614 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.788 -7.518 13.503 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.236 -7.514 13.501 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.591 -6.795 14.996 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.242 -5.747 13.713 1.00 0.00 H new ATOM 11 N ALA A 2 -10.895 -5.310 11.321 1.00 0.00 N ATOM 12 CA ALA A 2 -11.020 -5.043 9.897 1.00 0.00 C ATOM 13 C ALA A 2 -11.072 -3.529 9.672 1.00 0.00 C ATOM 14 O ALA A 2 -12.094 -2.996 9.241 1.00 0.00 O ATOM 15 CB ALA A 2 -12.259 -5.756 9.353 1.00 0.00 C ATOM 0 H ALA A 2 -11.237 -4.564 11.927 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.157 -5.429 9.354 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.354 -5.557 8.286 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.161 -6.830 9.515 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.146 -5.390 9.871 1.00 0.00 H new ATOM 21 N PRO A 3 -9.927 -2.863 9.980 1.00 0.00 N ATOM 22 CA PRO A 3 -9.831 -1.422 9.814 1.00 0.00 C ATOM 23 C PRO A 3 -9.693 -1.048 8.336 1.00 0.00 C ATOM 24 O PRO A 3 -8.627 -1.217 7.747 1.00 0.00 O ATOM 25 CB PRO A 3 -8.630 -1.009 10.646 1.00 0.00 C ATOM 26 CG PRO A 3 -7.822 -2.277 10.870 1.00 0.00 C ATOM 27 CD PRO A 3 -8.696 -3.461 10.491 1.00 0.00 C ATOM 0 HA PRO A 3 -10.728 -0.900 10.148 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.037 -0.255 10.129 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.943 -0.573 11.595 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.915 -2.263 10.265 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.510 -2.351 11.912 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.215 -4.083 9.736 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.893 -4.100 11.352 1.00 0.00 H new ATOM 35 N THR A 4 -10.787 -0.548 7.782 1.00 0.00 N ATOM 36 CA THR A 4 -10.800 -0.148 6.384 1.00 0.00 C ATOM 37 C THR A 4 -10.113 -1.207 5.520 1.00 0.00 C ATOM 38 O THR A 4 -10.269 -2.405 5.756 1.00 0.00 O ATOM 39 CB THR A 4 -10.153 1.234 6.280 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.806 1.019 6.696 1.00 0.00 O ATOM 41 CG2 THR A 4 -10.708 2.219 7.310 1.00 0.00 C ATOM 0 H THR A 4 -11.670 -0.410 8.274 1.00 0.00 H new ATOM 0 HA THR A 4 -11.819 -0.074 6.004 1.00 0.00 H new ATOM 0 HB THR A 4 -10.307 1.632 5.277 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.586 0.068 6.614 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.215 3.184 7.193 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.781 2.338 7.158 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.524 1.837 8.314 1.00 0.00 H new ATOM 49 N ALA A 5 -9.367 -0.727 4.536 1.00 0.00 N ATOM 50 CA ALA A 5 -8.653 -1.618 3.635 1.00 0.00 C ATOM 51 C ALA A 5 -7.441 -2.205 4.359 1.00 0.00 C ATOM 52 O ALA A 5 -6.534 -1.473 4.755 1.00 0.00 O ATOM 53 CB ALA A 5 -8.263 -0.856 2.367 1.00 0.00 C ATOM 0 H ALA A 5 -9.241 0.266 4.342 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.290 -2.449 3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.728 -1.523 1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.162 -0.485 1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.621 -0.015 2.631 1.00 0.00 H new ATOM 59 N THR A 6 -7.462 -3.523 4.510 1.00 0.00 N ATOM 60 CA THR A 6 -6.375 -4.215 5.180 1.00 0.00 C ATOM 61 C THR A 6 -6.049 -5.522 4.452 1.00 0.00 C ATOM 62 O THR A 6 -6.937 -6.171 3.905 1.00 0.00 O ATOM 63 CB THR A 6 -6.774 -4.418 6.643 1.00 0.00 C ATOM 64 OG1 THR A 6 -8.188 -4.582 6.598 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.570 -3.157 7.487 1.00 0.00 C ATOM 0 H THR A 6 -8.214 -4.128 4.180 1.00 0.00 H new ATOM 0 HA THR A 6 -5.457 -3.627 5.158 1.00 0.00 H new ATOM 0 HB THR A 6 -6.192 -5.236 7.067 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.530 -4.721 7.506 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.868 -3.356 8.516 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.519 -2.869 7.463 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.177 -2.347 7.083 1.00 0.00 H new ATOM 73 N VAL A 7 -4.768 -5.868 4.472 1.00 0.00 N ATOM 74 CA VAL A 7 -4.314 -7.085 3.822 1.00 0.00 C ATOM 75 C VAL A 7 -4.444 -8.258 4.795 1.00 0.00 C ATOM 76 O VAL A 7 -3.805 -8.270 5.846 1.00 0.00 O ATOM 77 CB VAL A 7 -2.888 -6.895 3.297 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.148 -8.233 3.228 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.892 -6.199 1.937 1.00 0.00 C ATOM 0 H VAL A 7 -4.033 -5.327 4.927 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.937 -7.313 2.957 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.355 -6.253 3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.138 -8.071 2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.098 -8.673 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.680 -8.909 2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.867 -6.077 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.450 -6.803 1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.362 -5.220 2.031 1.00 0.00 H new ATOM 89 N THR A 8 -5.274 -9.216 4.410 1.00 0.00 N ATOM 90 CA THR A 8 -5.493 -10.391 5.237 1.00 0.00 C ATOM 91 C THR A 8 -4.160 -11.053 5.588 1.00 0.00 C ATOM 92 O THR A 8 -3.727 -11.010 6.739 1.00 0.00 O ATOM 93 CB THR A 8 -6.455 -11.319 4.491 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.741 -10.957 4.984 1.00 0.00 O ATOM 95 CG2 THR A 8 -6.295 -12.783 4.905 1.00 0.00 C ATOM 0 H THR A 8 -5.802 -9.203 3.538 1.00 0.00 H new ATOM 0 HA THR A 8 -5.948 -10.125 6.191 1.00 0.00 H new ATOM 0 HB THR A 8 -6.290 -11.225 3.418 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.425 -11.510 4.551 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.000 -13.398 4.346 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.278 -13.112 4.692 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.492 -12.883 5.972 1.00 0.00 H new ATOM 103 N PRO A 9 -3.531 -11.668 4.552 1.00 0.00 N ATOM 104 CA PRO A 9 -2.256 -12.338 4.741 1.00 0.00 C ATOM 105 C PRO A 9 -1.118 -11.324 4.875 1.00 0.00 C ATOM 106 O PRO A 9 -0.143 -11.378 4.128 1.00 0.00 O ATOM 107 CB PRO A 9 -2.105 -13.244 3.529 1.00 0.00 C ATOM 108 CG PRO A 9 -3.069 -12.707 2.482 1.00 0.00 C ATOM 109 CD PRO A 9 -4.016 -11.741 3.176 1.00 0.00 C ATOM 0 HA PRO A 9 -2.218 -12.918 5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.080 -13.232 3.158 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.340 -14.278 3.783 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.524 -12.202 1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.626 -13.523 2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.001 -10.761 2.699 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.045 -12.099 3.138 1.00 0.00 H new ATOM 117 N SER A 10 -1.281 -10.424 5.833 1.00 0.00 N ATOM 118 CA SER A 10 -0.280 -9.400 6.076 1.00 0.00 C ATOM 119 C SER A 10 0.772 -9.918 7.057 1.00 0.00 C ATOM 120 O SER A 10 1.421 -9.135 7.748 1.00 0.00 O ATOM 121 CB SER A 10 -0.920 -8.119 6.612 1.00 0.00 C ATOM 122 OG SER A 10 -1.506 -8.311 7.897 1.00 0.00 O ATOM 0 H SER A 10 -2.092 -10.383 6.450 1.00 0.00 H new ATOM 0 HA SER A 10 0.202 -9.163 5.128 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.166 -7.334 6.671 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.683 -7.775 5.913 1.00 0.00 H new ATOM 0 HG SER A 10 -2.481 -8.363 7.808 1.00 0.00 H new ATOM 128 N SER A 11 0.908 -11.237 7.090 1.00 0.00 N ATOM 129 CA SER A 11 1.869 -11.868 7.975 1.00 0.00 C ATOM 130 C SER A 11 2.933 -12.603 7.157 1.00 0.00 C ATOM 131 O SER A 11 2.605 -13.425 6.304 1.00 0.00 O ATOM 132 CB SER A 11 1.179 -12.837 8.938 1.00 0.00 C ATOM 133 OG SER A 11 1.576 -12.621 10.291 1.00 0.00 O ATOM 0 H SER A 11 0.367 -11.885 6.517 1.00 0.00 H new ATOM 0 HA SER A 11 2.349 -11.089 8.567 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.098 -12.722 8.855 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.414 -13.862 8.651 1.00 0.00 H new ATOM 0 HG SER A 11 1.112 -13.258 10.874 1.00 0.00 H new ATOM 139 N GLY A 12 4.184 -12.280 7.446 1.00 0.00 N ATOM 140 CA GLY A 12 5.297 -12.900 6.747 1.00 0.00 C ATOM 141 C GLY A 12 5.049 -12.926 5.237 1.00 0.00 C ATOM 142 O GLY A 12 5.202 -13.967 4.598 1.00 0.00 O ATOM 0 H GLY A 12 4.452 -11.597 8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.215 -12.352 6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.441 -13.917 7.113 1.00 0.00 H new ATOM 146 N LEU A 13 4.672 -11.770 4.710 1.00 0.00 N ATOM 147 CA LEU A 13 4.401 -11.649 3.288 1.00 0.00 C ATOM 148 C LEU A 13 5.683 -11.936 2.504 1.00 0.00 C ATOM 149 O LEU A 13 6.756 -12.076 3.089 1.00 0.00 O ATOM 150 CB LEU A 13 3.780 -10.287 2.977 1.00 0.00 C ATOM 151 CG LEU A 13 2.488 -9.951 3.722 1.00 0.00 C ATOM 152 CD1 LEU A 13 2.755 -8.986 4.879 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.424 -9.413 2.762 1.00 0.00 C ATOM 0 H LEU A 13 4.548 -10.909 5.243 1.00 0.00 H new ATOM 0 HA LEU A 13 3.664 -12.388 2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.516 -9.515 3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.582 -10.237 1.906 1.00 0.00 H new ATOM 0 HG LEU A 13 2.096 -10.872 4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.819 -8.764 5.391 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.453 -9.443 5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.184 -8.062 4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.515 -9.182 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.794 -8.508 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.204 -10.165 2.004 1.00 0.00 H new ATOM 165 N SER A 14 5.529 -12.013 1.190 1.00 0.00 N ATOM 166 CA SER A 14 6.662 -12.280 0.319 1.00 0.00 C ATOM 167 C SER A 14 6.571 -11.412 -0.938 1.00 0.00 C ATOM 168 O SER A 14 5.482 -11.003 -1.337 1.00 0.00 O ATOM 169 CB SER A 14 6.726 -13.760 -0.063 1.00 0.00 C ATOM 170 OG SER A 14 8.069 -14.208 -0.236 1.00 0.00 O ATOM 0 H SER A 14 4.638 -11.895 0.708 1.00 0.00 H new ATOM 0 HA SER A 14 7.575 -12.032 0.860 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.242 -14.356 0.711 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.168 -13.921 -0.985 1.00 0.00 H new ATOM 0 HG SER A 14 8.068 -15.158 -0.478 1.00 0.00 H new ATOM 176 N ASP A 15 7.730 -11.155 -1.527 1.00 0.00 N ATOM 177 CA ASP A 15 7.795 -10.343 -2.730 1.00 0.00 C ATOM 178 C ASP A 15 6.913 -10.969 -3.812 1.00 0.00 C ATOM 179 O ASP A 15 7.386 -11.763 -4.624 1.00 0.00 O ATOM 180 CB ASP A 15 9.224 -10.272 -3.271 1.00 0.00 C ATOM 181 CG ASP A 15 10.023 -11.573 -3.158 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.286 -12.171 -4.224 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.354 -11.938 -2.009 1.00 0.00 O ATOM 0 H ASP A 15 8.632 -11.495 -1.193 1.00 0.00 H new ATOM 0 HA ASP A 15 7.454 -9.339 -2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.185 -9.977 -4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.760 -9.487 -2.738 1.00 0.00 H new ATOM 189 N GLY A 16 5.643 -10.590 -3.786 1.00 0.00 N ATOM 190 CA GLY A 16 4.689 -11.105 -4.755 1.00 0.00 C ATOM 191 C GLY A 16 3.646 -11.996 -4.077 1.00 0.00 C ATOM 192 O GLY A 16 3.225 -13.006 -4.642 1.00 0.00 O ATOM 0 H GLY A 16 5.253 -9.933 -3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.192 -10.275 -5.258 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.215 -11.674 -5.522 1.00 0.00 H new ATOM 196 N THR A 17 3.260 -11.591 -2.876 1.00 0.00 N ATOM 197 CA THR A 17 2.273 -12.340 -2.115 1.00 0.00 C ATOM 198 C THR A 17 0.870 -11.790 -2.374 1.00 0.00 C ATOM 199 O THR A 17 0.607 -10.613 -2.135 1.00 0.00 O ATOM 200 CB THR A 17 2.681 -12.296 -0.641 1.00 0.00 C ATOM 201 OG1 THR A 17 3.547 -13.417 -0.487 1.00 0.00 O ATOM 202 CG2 THR A 17 1.512 -12.596 0.299 1.00 0.00 C ATOM 0 H THR A 17 3.612 -10.754 -2.411 1.00 0.00 H new ATOM 0 HA THR A 17 2.241 -13.384 -2.428 1.00 0.00 H new ATOM 0 HB THR A 17 3.092 -11.314 -0.407 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.605 -13.657 0.461 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.856 -12.552 1.332 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.724 -11.858 0.147 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.122 -13.592 0.088 1.00 0.00 H new ATOM 210 N VAL A 18 0.006 -12.669 -2.860 1.00 0.00 N ATOM 211 CA VAL A 18 -1.366 -12.285 -3.155 1.00 0.00 C ATOM 212 C VAL A 18 -2.141 -12.135 -1.845 1.00 0.00 C ATOM 213 O VAL A 18 -2.347 -13.112 -1.126 1.00 0.00 O ATOM 214 CB VAL A 18 -1.997 -13.300 -4.111 1.00 0.00 C ATOM 215 CG1 VAL A 18 -3.134 -12.661 -4.914 1.00 0.00 C ATOM 216 CG2 VAL A 18 -0.945 -13.908 -5.040 1.00 0.00 C ATOM 0 H VAL A 18 0.228 -13.645 -3.057 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.394 -11.320 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.420 -14.107 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.566 -13.402 -5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.902 -12.298 -4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.744 -11.827 -5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.421 -14.626 -5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.479 -13.118 -5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.184 -14.415 -4.446 1.00 0.00 H new ATOM 226 N VAL A 19 -2.551 -10.906 -1.575 1.00 0.00 N ATOM 227 CA VAL A 19 -3.300 -10.615 -0.363 1.00 0.00 C ATOM 228 C VAL A 19 -4.654 -10.012 -0.740 1.00 0.00 C ATOM 229 O VAL A 19 -4.824 -9.496 -1.842 1.00 0.00 O ATOM 230 CB VAL A 19 -2.477 -9.710 0.556 1.00 0.00 C ATOM 231 CG1 VAL A 19 -1.201 -10.415 1.021 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.151 -8.383 -0.130 1.00 0.00 C ATOM 0 H VAL A 19 -2.379 -10.099 -2.174 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.495 -11.530 0.195 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.079 -9.492 1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.635 -9.750 1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.464 -11.321 1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.594 -10.677 0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.566 -7.759 0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.578 -8.574 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.077 -7.869 -0.388 1.00 0.00 H new ATOM 242 N LYS A 20 -5.586 -10.100 0.200 1.00 0.00 N ATOM 243 CA LYS A 20 -6.920 -9.569 -0.018 1.00 0.00 C ATOM 244 C LYS A 20 -7.095 -8.286 0.797 1.00 0.00 C ATOM 245 O LYS A 20 -7.095 -8.323 2.026 1.00 0.00 O ATOM 246 CB LYS A 20 -7.976 -10.635 0.281 1.00 0.00 C ATOM 247 CG LYS A 20 -9.304 -10.298 -0.402 1.00 0.00 C ATOM 248 CD LYS A 20 -10.485 -10.876 0.379 1.00 0.00 C ATOM 249 CE LYS A 20 -11.438 -11.634 -0.546 1.00 0.00 C ATOM 250 NZ LYS A 20 -12.003 -12.813 0.145 1.00 0.00 N ATOM 0 H LYS A 20 -5.442 -10.531 1.113 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.056 -9.302 -1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.623 -11.608 -0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.126 -10.712 1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.411 -9.216 -0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.306 -10.695 -1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.118 -11.546 1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.023 -10.071 0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.243 -10.974 -0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.907 -11.951 -1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.648 -13.316 -0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.232 -13.450 0.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.527 -12.503 0.988 1.00 0.00 H new ATOM 264 N VAL A 21 -7.240 -7.182 0.080 1.00 0.00 N ATOM 265 CA VAL A 21 -7.416 -5.890 0.722 1.00 0.00 C ATOM 266 C VAL A 21 -8.906 -5.644 0.962 1.00 0.00 C ATOM 267 O VAL A 21 -9.606 -5.143 0.081 1.00 0.00 O ATOM 268 CB VAL A 21 -6.755 -4.795 -0.119 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.532 -3.527 0.710 1.00 0.00 C ATOM 270 CG2 VAL A 21 -5.443 -5.289 -0.732 1.00 0.00 C ATOM 0 H VAL A 21 -7.239 -7.155 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.924 -5.875 1.695 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.432 -4.546 -0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.061 -2.765 0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.490 -3.157 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.885 -3.755 1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.995 -4.491 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.757 -5.580 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.641 -6.148 -1.372 1.00 0.00 H new ATOM 280 N ALA A 22 -9.347 -6.004 2.158 1.00 0.00 N ATOM 281 CA ALA A 22 -10.742 -5.826 2.525 1.00 0.00 C ATOM 282 C ALA A 22 -10.929 -4.442 3.148 1.00 0.00 C ATOM 283 O ALA A 22 -10.354 -4.145 4.193 1.00 0.00 O ATOM 284 CB ALA A 22 -11.168 -6.952 3.470 1.00 0.00 C ATOM 0 H ALA A 22 -8.764 -6.418 2.885 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.380 -5.879 1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.214 -6.819 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.043 -7.913 2.971 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.550 -6.927 4.368 1.00 0.00 H new ATOM 290 N GLY A 23 -11.737 -3.632 2.480 1.00 0.00 N ATOM 291 CA GLY A 23 -12.008 -2.285 2.955 1.00 0.00 C ATOM 292 C GLY A 23 -13.336 -2.228 3.711 1.00 0.00 C ATOM 293 O GLY A 23 -14.398 -2.130 3.100 1.00 0.00 O ATOM 0 H GLY A 23 -12.213 -3.882 1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.199 -1.956 3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.036 -1.596 2.111 1.00 0.00 H new ATOM 297 N ALA A 24 -13.232 -2.289 5.031 1.00 0.00 N ATOM 298 CA ALA A 24 -14.413 -2.245 5.877 1.00 0.00 C ATOM 299 C ALA A 24 -14.654 -0.805 6.334 1.00 0.00 C ATOM 300 O ALA A 24 -14.028 -0.339 7.285 1.00 0.00 O ATOM 301 CB ALA A 24 -14.235 -3.207 7.052 1.00 0.00 C ATOM 0 H ALA A 24 -12.349 -2.368 5.535 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.295 -2.567 5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.121 -3.174 7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.096 -4.220 6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.361 -2.913 7.633 1.00 0.00 H new ATOM 307 N GLY A 25 -15.563 -0.141 5.635 1.00 0.00 N ATOM 308 CA GLY A 25 -15.893 1.237 5.958 1.00 0.00 C ATOM 309 C GLY A 25 -14.988 2.211 5.200 1.00 0.00 C ATOM 310 O GLY A 25 -14.662 3.283 5.707 1.00 0.00 O ATOM 0 H GLY A 25 -16.081 -0.531 4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.935 1.433 5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.788 1.398 7.031 1.00 0.00 H new ATOM 314 N LEU A 26 -14.608 1.802 3.998 1.00 0.00 N ATOM 315 CA LEU A 26 -13.748 2.623 3.166 1.00 0.00 C ATOM 316 C LEU A 26 -14.608 3.444 2.202 1.00 0.00 C ATOM 317 O LEU A 26 -15.690 3.904 2.568 1.00 0.00 O ATOM 318 CB LEU A 26 -12.695 1.762 2.467 1.00 0.00 C ATOM 319 CG LEU A 26 -11.292 2.363 2.367 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.413 1.552 1.414 1.00 0.00 C ATOM 321 CD2 LEU A 26 -11.356 3.841 1.972 1.00 0.00 C ATOM 0 H LEU A 26 -14.881 0.912 3.581 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.191 3.331 3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.624 0.811 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.046 1.541 1.459 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.828 2.312 3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.421 2.002 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.329 0.528 1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.862 1.547 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.345 4.245 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.848 3.938 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.921 4.394 2.723 1.00 0.00 H new ATOM 333 N GLN A 27 -14.096 3.602 0.991 1.00 0.00 N ATOM 334 CA GLN A 27 -14.805 4.359 -0.028 1.00 0.00 C ATOM 335 C GLN A 27 -16.256 3.883 -0.130 1.00 0.00 C ATOM 336 O GLN A 27 -16.561 2.969 -0.894 1.00 0.00 O ATOM 337 CB GLN A 27 -14.099 4.255 -1.380 1.00 0.00 C ATOM 338 CG GLN A 27 -12.668 4.791 -1.294 1.00 0.00 C ATOM 339 CD GLN A 27 -11.656 3.729 -1.734 1.00 0.00 C ATOM 340 OE1 GLN A 27 -10.600 3.561 -1.146 1.00 0.00 O ATOM 341 NE2 GLN A 27 -12.040 3.024 -2.794 1.00 0.00 N ATOM 0 H GLN A 27 -13.199 3.219 0.692 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.807 5.409 0.264 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.083 3.215 -1.707 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.657 4.816 -2.130 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.569 5.676 -1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.453 5.102 -0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.938 3.218 -3.237 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.437 2.289 -3.164 1.00 0.00 H new ATOM 350 N ALA A 28 -17.112 4.525 0.654 1.00 0.00 N ATOM 351 CA ALA A 28 -18.523 4.178 0.660 1.00 0.00 C ATOM 352 C ALA A 28 -19.089 4.333 -0.752 1.00 0.00 C ATOM 353 O ALA A 28 -19.803 5.293 -1.036 1.00 0.00 O ATOM 354 CB ALA A 28 -19.256 5.050 1.681 1.00 0.00 C ATOM 0 H ALA A 28 -16.855 5.282 1.288 1.00 0.00 H new ATOM 0 HA ALA A 28 -18.662 3.139 0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -20.315 4.791 1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.836 4.881 2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.141 6.100 1.412 1.00 0.00 H new ATOM 360 N GLY A 29 -18.749 3.373 -1.599 1.00 0.00 N ATOM 361 CA GLY A 29 -19.215 3.389 -2.975 1.00 0.00 C ATOM 362 C GLY A 29 -18.297 4.240 -3.855 1.00 0.00 C ATOM 363 O GLY A 29 -18.564 4.426 -5.040 1.00 0.00 O ATOM 0 H GLY A 29 -18.156 2.579 -1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.253 2.371 -3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.230 3.783 -3.014 1.00 0.00 H new ATOM 367 N THR A 30 -17.234 4.738 -3.238 1.00 0.00 N ATOM 368 CA THR A 30 -16.276 5.565 -3.950 1.00 0.00 C ATOM 369 C THR A 30 -15.124 4.710 -4.484 1.00 0.00 C ATOM 370 O THR A 30 -15.154 3.485 -4.374 1.00 0.00 O ATOM 371 CB THR A 30 -15.817 6.679 -3.004 1.00 0.00 C ATOM 372 OG1 THR A 30 -16.610 6.488 -1.835 1.00 0.00 O ATOM 373 CG2 THR A 30 -16.215 8.069 -3.501 1.00 0.00 C ATOM 0 H THR A 30 -17.016 4.584 -2.253 1.00 0.00 H new ATOM 0 HA THR A 30 -16.729 6.028 -4.827 1.00 0.00 H new ATOM 0 HB THR A 30 -14.734 6.633 -2.885 1.00 0.00 H new ATOM 0 HG1 THR A 30 -16.377 7.166 -1.167 1.00 0.00 H new ATOM 0 HG21 THR A 30 -15.866 8.822 -2.794 1.00 0.00 H new ATOM 0 HG22 THR A 30 -15.763 8.250 -4.476 1.00 0.00 H new ATOM 0 HG23 THR A 30 -17.300 8.128 -3.587 1.00 0.00 H new ATOM 381 N ALA A 31 -14.139 5.391 -5.051 1.00 0.00 N ATOM 382 CA ALA A 31 -12.981 4.707 -5.602 1.00 0.00 C ATOM 383 C ALA A 31 -11.743 5.590 -5.426 1.00 0.00 C ATOM 384 O ALA A 31 -11.831 6.813 -5.511 1.00 0.00 O ATOM 385 CB ALA A 31 -13.243 4.359 -7.069 1.00 0.00 C ATOM 0 H ALA A 31 -14.119 6.407 -5.141 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.799 3.772 -5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.374 3.846 -7.482 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.115 3.709 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.426 5.274 -7.633 1.00 0.00 H new ATOM 391 N TYR A 32 -10.618 4.933 -5.184 1.00 0.00 N ATOM 392 CA TYR A 32 -9.363 5.644 -4.994 1.00 0.00 C ATOM 393 C TYR A 32 -8.198 4.869 -5.615 1.00 0.00 C ATOM 394 O TYR A 32 -8.409 3.919 -6.367 1.00 0.00 O ATOM 395 CB TYR A 32 -9.152 5.732 -3.482 1.00 0.00 C ATOM 396 CG TYR A 32 -10.090 6.719 -2.780 1.00 0.00 C ATOM 397 CD1 TYR A 32 -10.571 7.818 -3.465 1.00 0.00 C ATOM 398 CD2 TYR A 32 -10.453 6.509 -1.466 1.00 0.00 C ATOM 399 CE1 TYR A 32 -11.452 8.745 -2.803 1.00 0.00 C ATOM 400 CE2 TYR A 32 -11.335 7.438 -0.807 1.00 0.00 C ATOM 401 CZ TYR A 32 -11.790 8.510 -1.508 1.00 0.00 C ATOM 402 OH TYR A 32 -12.622 9.386 -0.886 1.00 0.00 O ATOM 0 H TYR A 32 -10.548 3.918 -5.115 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.401 6.625 -5.468 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.291 4.742 -3.048 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.120 6.024 -3.286 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.287 7.982 -4.494 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.076 5.649 -0.932 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.836 9.609 -3.325 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.628 7.286 0.221 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.778 9.091 0.036 1.00 0.00 H new ATOM 412 N ASP A 33 -6.993 5.306 -5.277 1.00 0.00 N ATOM 413 CA ASP A 33 -5.795 4.667 -5.789 1.00 0.00 C ATOM 414 C ASP A 33 -5.179 3.789 -4.696 1.00 0.00 C ATOM 415 O ASP A 33 -4.724 4.296 -3.672 1.00 0.00 O ATOM 416 CB ASP A 33 -4.749 5.705 -6.203 1.00 0.00 C ATOM 417 CG ASP A 33 -4.198 6.559 -5.060 1.00 0.00 C ATOM 418 OD1 ASP A 33 -3.138 6.170 -4.522 1.00 0.00 O ATOM 419 OD2 ASP A 33 -4.848 7.581 -4.749 1.00 0.00 O ATOM 0 H ASP A 33 -6.822 6.096 -4.654 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.079 4.072 -6.657 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.918 5.189 -6.684 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.190 6.365 -6.950 1.00 0.00 H new ATOM 425 N VAL A 34 -5.191 2.489 -4.951 1.00 0.00 N ATOM 426 CA VAL A 34 -4.639 1.537 -4.001 1.00 0.00 C ATOM 427 C VAL A 34 -3.148 1.350 -4.280 1.00 0.00 C ATOM 428 O VAL A 34 -2.742 1.178 -5.429 1.00 0.00 O ATOM 429 CB VAL A 34 -5.427 0.227 -4.059 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.542 -0.924 -4.544 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.052 -0.097 -2.700 1.00 0.00 C ATOM 0 H VAL A 34 -5.573 2.073 -5.800 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.733 1.914 -2.983 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.236 0.354 -4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.126 -1.844 -4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.166 -0.698 -5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.703 -1.051 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.607 -1.033 -2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.265 -0.195 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.730 0.706 -2.411 1.00 0.00 H new ATOM 441 N GLY A 35 -2.368 1.389 -3.209 1.00 0.00 N ATOM 442 CA GLY A 35 -0.928 1.226 -3.323 1.00 0.00 C ATOM 443 C GLY A 35 -0.261 1.265 -1.947 1.00 0.00 C ATOM 444 O GLY A 35 -0.785 1.874 -1.017 1.00 0.00 O ATOM 0 H GLY A 35 -2.706 1.531 -2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.703 0.279 -3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.518 2.016 -3.952 1.00 0.00 H new ATOM 448 N GLN A 36 0.886 0.607 -1.862 1.00 0.00 N ATOM 449 CA GLN A 36 1.631 0.558 -0.615 1.00 0.00 C ATOM 450 C GLN A 36 2.653 1.696 -0.564 1.00 0.00 C ATOM 451 O GLN A 36 3.694 1.632 -1.215 1.00 0.00 O ATOM 452 CB GLN A 36 2.312 -0.799 -0.437 1.00 0.00 C ATOM 453 CG GLN A 36 3.422 -0.996 -1.470 1.00 0.00 C ATOM 454 CD GLN A 36 3.255 -2.326 -2.209 1.00 0.00 C ATOM 455 OE1 GLN A 36 2.425 -3.153 -1.870 1.00 0.00 O ATOM 456 NE2 GLN A 36 4.085 -2.482 -3.236 1.00 0.00 N ATOM 0 H GLN A 36 1.318 0.103 -2.637 1.00 0.00 H new ATOM 0 HA GLN A 36 0.931 0.687 0.210 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.729 -0.872 0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.574 -1.595 -0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.407 -0.174 -2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.393 -0.970 -0.975 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.756 -1.749 -3.465 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.050 -3.335 -3.795 1.00 0.00 H new ATOM 465 N CYS A 37 2.319 2.713 0.219 1.00 0.00 N ATOM 466 CA CYS A 37 3.197 3.863 0.365 1.00 0.00 C ATOM 467 C CYS A 37 3.846 3.798 1.748 1.00 0.00 C ATOM 468 O CYS A 37 3.267 3.255 2.688 1.00 0.00 O ATOM 469 CB CYS A 37 2.443 5.179 0.150 1.00 0.00 C ATOM 470 SG CYS A 37 3.455 6.536 -0.543 1.00 0.00 S ATOM 0 H CYS A 37 1.454 2.764 0.758 1.00 0.00 H new ATOM 0 HA CYS A 37 3.972 3.833 -0.401 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.601 4.995 -0.517 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.028 5.504 1.104 1.00 0.00 H new ATOM 475 N ALA A 38 5.045 4.359 1.829 1.00 0.00 N ATOM 476 CA ALA A 38 5.782 4.371 3.082 1.00 0.00 C ATOM 477 C ALA A 38 7.152 5.015 2.856 1.00 0.00 C ATOM 478 O ALA A 38 7.597 5.150 1.716 1.00 0.00 O ATOM 479 CB ALA A 38 5.890 2.946 3.625 1.00 0.00 C ATOM 0 H ALA A 38 5.524 4.808 1.048 1.00 0.00 H new ATOM 0 HA ALA A 38 5.257 4.965 3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.443 2.956 4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.891 2.545 3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.414 2.320 2.902 1.00 0.00 H new ATOM 485 N TRP A 39 7.781 5.393 3.958 1.00 0.00 N ATOM 486 CA TRP A 39 9.090 6.020 3.896 1.00 0.00 C ATOM 487 C TRP A 39 10.054 5.033 3.231 1.00 0.00 C ATOM 488 O TRP A 39 10.392 4.002 3.812 1.00 0.00 O ATOM 489 CB TRP A 39 9.554 6.465 5.282 1.00 0.00 C ATOM 490 CG TRP A 39 8.565 7.381 6.006 1.00 0.00 C ATOM 491 CD1 TRP A 39 8.329 8.680 5.781 1.00 0.00 C ATOM 492 CD2 TRP A 39 7.680 7.010 7.086 1.00 0.00 C ATOM 493 NE1 TRP A 39 7.361 9.172 6.634 1.00 0.00 N ATOM 494 CE2 TRP A 39 6.955 8.127 7.453 1.00 0.00 C ATOM 495 CE3 TRP A 39 7.501 5.773 7.732 1.00 0.00 C ATOM 496 CZ2 TRP A 39 6.001 8.117 8.476 1.00 0.00 C ATOM 497 CZ3 TRP A 39 6.543 5.782 8.753 1.00 0.00 C ATOM 498 CH2 TRP A 39 5.806 6.896 9.134 1.00 0.00 C ATOM 0 H TRP A 39 7.408 5.277 4.900 1.00 0.00 H new ATOM 0 HA TRP A 39 9.053 6.930 3.298 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.731 5.582 5.895 1.00 0.00 H new ATOM 0 HB3 TRP A 39 10.509 6.982 5.185 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.832 9.268 5.028 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.008 10.129 6.658 1.00 0.00 H new ATOM 0 HE3 TRP A 39 8.058 4.888 7.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 5.445 9.003 8.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.364 4.857 9.282 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.085 6.821 9.935 1.00 0.00 H new ATOM 509 N VAL A 40 10.469 5.382 2.023 1.00 0.00 N ATOM 510 CA VAL A 40 11.387 4.541 1.274 1.00 0.00 C ATOM 511 C VAL A 40 12.805 5.101 1.400 1.00 0.00 C ATOM 512 O VAL A 40 13.766 4.345 1.526 1.00 0.00 O ATOM 513 CB VAL A 40 10.920 4.420 -0.179 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.810 5.245 -1.111 1.00 0.00 C ATOM 515 CG2 VAL A 40 10.871 2.956 -0.617 1.00 0.00 C ATOM 0 H VAL A 40 10.186 6.237 1.543 1.00 0.00 H new ATOM 0 HA VAL A 40 11.399 3.531 1.684 1.00 0.00 H new ATOM 0 HB VAL A 40 9.909 4.822 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.457 5.142 -2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.771 6.294 -0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.838 4.888 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.536 2.897 -1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.865 2.517 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.177 2.409 0.020 1.00 0.00 H new ATOM 525 N ASP A 41 12.891 6.423 1.363 1.00 0.00 N ATOM 526 CA ASP A 41 14.174 7.094 1.473 1.00 0.00 C ATOM 527 C ASP A 41 14.535 7.258 2.950 1.00 0.00 C ATOM 528 O ASP A 41 14.053 6.509 3.797 1.00 0.00 O ATOM 529 CB ASP A 41 14.126 8.485 0.840 1.00 0.00 C ATOM 530 CG ASP A 41 15.420 8.931 0.153 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.303 9.602 -0.893 1.00 0.00 O ATOM 532 OD2 ASP A 41 16.495 8.587 0.693 1.00 0.00 O ATOM 0 H ASP A 41 12.091 7.047 1.258 1.00 0.00 H new ATOM 0 HA ASP A 41 14.916 6.488 0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.318 8.507 0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.875 9.211 1.613 1.00 0.00 H new ATOM 538 N THR A 42 15.379 8.245 3.214 1.00 0.00 N ATOM 539 CA THR A 42 15.811 8.516 4.575 1.00 0.00 C ATOM 540 C THR A 42 14.767 9.363 5.304 1.00 0.00 C ATOM 541 O THR A 42 15.086 10.423 5.842 1.00 0.00 O ATOM 542 CB THR A 42 17.190 9.174 4.511 1.00 0.00 C ATOM 543 OG1 THR A 42 17.681 9.083 5.846 1.00 0.00 O ATOM 544 CG2 THR A 42 17.111 10.679 4.244 1.00 0.00 C ATOM 0 H THR A 42 15.775 8.867 2.509 1.00 0.00 H new ATOM 0 HA THR A 42 15.901 7.596 5.153 1.00 0.00 H new ATOM 0 HB THR A 42 17.782 8.698 3.729 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.573 9.485 5.895 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.118 11.096 4.208 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.612 10.854 3.291 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.547 11.161 5.042 1.00 0.00 H new ATOM 552 N GLY A 43 13.539 8.865 5.301 1.00 0.00 N ATOM 553 CA GLY A 43 12.446 9.562 5.955 1.00 0.00 C ATOM 554 C GLY A 43 11.500 10.187 4.928 1.00 0.00 C ATOM 555 O GLY A 43 10.527 10.845 5.295 1.00 0.00 O ATOM 0 H GLY A 43 13.277 7.986 4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.894 8.867 6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.844 10.339 6.608 1.00 0.00 H new ATOM 559 N VAL A 44 11.819 9.958 3.664 1.00 0.00 N ATOM 560 CA VAL A 44 11.010 10.491 2.580 1.00 0.00 C ATOM 561 C VAL A 44 9.912 9.485 2.227 1.00 0.00 C ATOM 562 O VAL A 44 10.202 8.339 1.885 1.00 0.00 O ATOM 563 CB VAL A 44 11.899 10.848 1.387 1.00 0.00 C ATOM 564 CG1 VAL A 44 11.152 11.735 0.390 1.00 0.00 C ATOM 565 CG2 VAL A 44 13.196 11.515 1.851 1.00 0.00 C ATOM 0 H VAL A 44 12.626 9.411 3.365 1.00 0.00 H new ATOM 0 HA VAL A 44 10.520 11.414 2.889 1.00 0.00 H new ATOM 0 HB VAL A 44 12.162 9.921 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.808 11.973 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.271 11.208 0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.844 12.657 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.810 11.759 0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.960 12.428 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.743 10.833 2.503 1.00 0.00 H new ATOM 575 N LEU A 45 8.674 9.950 2.322 1.00 0.00 N ATOM 576 CA LEU A 45 7.533 9.104 2.017 1.00 0.00 C ATOM 577 C LEU A 45 7.522 8.790 0.519 1.00 0.00 C ATOM 578 O LEU A 45 7.186 9.646 -0.297 1.00 0.00 O ATOM 579 CB LEU A 45 6.239 9.751 2.518 1.00 0.00 C ATOM 580 CG LEU A 45 5.105 8.788 2.877 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.490 9.146 4.232 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.057 8.740 1.765 1.00 0.00 C ATOM 0 H LEU A 45 8.437 10.901 2.606 1.00 0.00 H new ATOM 0 HA LEU A 45 7.613 8.152 2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.473 10.351 3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.878 10.437 1.751 1.00 0.00 H new ATOM 0 HG LEU A 45 5.523 7.785 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.687 8.446 4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.256 9.088 5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.089 10.159 4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.262 8.049 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.637 9.735 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.524 8.402 0.840 1.00 0.00 H new ATOM 594 N ALA A 46 7.894 7.558 0.204 1.00 0.00 N ATOM 595 CA ALA A 46 7.930 7.119 -1.181 1.00 0.00 C ATOM 596 C ALA A 46 6.932 5.975 -1.376 1.00 0.00 C ATOM 597 O ALA A 46 6.794 5.111 -0.511 1.00 0.00 O ATOM 598 CB ALA A 46 9.359 6.715 -1.551 1.00 0.00 C ATOM 0 H ALA A 46 8.173 6.850 0.883 1.00 0.00 H new ATOM 0 HA ALA A 46 7.636 7.930 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.387 6.386 -2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.023 7.570 -1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.686 5.901 -0.904 1.00 0.00 H new ATOM 604 N CYS A 47 6.260 6.008 -2.519 1.00 0.00 N ATOM 605 CA CYS A 47 5.279 4.986 -2.838 1.00 0.00 C ATOM 606 C CYS A 47 5.941 3.954 -3.752 1.00 0.00 C ATOM 607 O CYS A 47 6.935 4.250 -4.413 1.00 0.00 O ATOM 608 CB CYS A 47 4.022 5.586 -3.472 1.00 0.00 C ATOM 609 SG CYS A 47 3.222 6.905 -2.489 1.00 0.00 S ATOM 0 H CYS A 47 6.376 6.726 -3.234 1.00 0.00 H new ATOM 0 HA CYS A 47 4.947 4.499 -1.921 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.283 5.989 -4.451 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.299 4.787 -3.638 1.00 0.00 H new ATOM 614 N ASN A 48 5.365 2.760 -3.760 1.00 0.00 N ATOM 615 CA ASN A 48 5.887 1.682 -4.584 1.00 0.00 C ATOM 616 C ASN A 48 5.369 1.841 -6.014 1.00 0.00 C ATOM 617 O ASN A 48 4.407 2.571 -6.252 1.00 0.00 O ATOM 618 CB ASN A 48 5.424 0.320 -4.061 1.00 0.00 C ATOM 619 CG ASN A 48 6.205 -0.080 -2.808 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.474 -1.244 -2.558 1.00 0.00 O ATOM 621 ND2 ASN A 48 6.552 0.944 -2.036 1.00 0.00 N ATOM 0 H ASN A 48 4.542 2.515 -3.209 1.00 0.00 H new ATOM 0 HA ASN A 48 6.976 1.730 -4.555 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.359 0.357 -3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.559 -0.436 -4.835 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.075 0.780 -1.176 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.295 1.894 -2.303 1.00 0.00 H new ATOM 628 N PRO A 49 6.046 1.127 -6.952 1.00 0.00 N ATOM 629 CA PRO A 49 5.664 1.182 -8.354 1.00 0.00 C ATOM 630 C PRO A 49 4.389 0.373 -8.607 1.00 0.00 C ATOM 631 O PRO A 49 3.747 0.531 -9.642 1.00 0.00 O ATOM 632 CB PRO A 49 6.868 0.645 -9.111 1.00 0.00 C ATOM 633 CG PRO A 49 7.695 -0.120 -8.090 1.00 0.00 C ATOM 634 CD PRO A 49 7.187 0.251 -6.706 1.00 0.00 C ATOM 0 HA PRO A 49 5.420 2.192 -8.684 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.557 -0.006 -9.928 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.446 1.457 -9.552 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.606 -1.194 -8.254 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.751 0.131 -8.189 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.892 -0.634 -6.142 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.957 0.758 -6.124 1.00 0.00 H new ATOM 642 N ALA A 50 4.065 -0.475 -7.643 1.00 0.00 N ATOM 643 CA ALA A 50 2.879 -1.308 -7.749 1.00 0.00 C ATOM 644 C ALA A 50 1.782 -0.745 -6.842 1.00 0.00 C ATOM 645 O ALA A 50 0.809 -1.433 -6.536 1.00 0.00 O ATOM 646 CB ALA A 50 3.238 -2.754 -7.399 1.00 0.00 C ATOM 0 H ALA A 50 4.602 -0.604 -6.785 1.00 0.00 H new ATOM 0 HA ALA A 50 2.498 -1.304 -8.770 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.349 -3.379 -7.478 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.000 -3.117 -8.089 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.622 -2.797 -6.380 1.00 0.00 H new ATOM 652 N ASP A 51 1.975 0.502 -6.438 1.00 0.00 N ATOM 653 CA ASP A 51 1.014 1.167 -5.573 1.00 0.00 C ATOM 654 C ASP A 51 -0.053 1.847 -6.433 1.00 0.00 C ATOM 655 O ASP A 51 -0.870 2.613 -5.923 1.00 0.00 O ATOM 656 CB ASP A 51 1.690 2.241 -4.720 1.00 0.00 C ATOM 657 CG ASP A 51 1.050 3.627 -4.800 1.00 0.00 C ATOM 658 OD1 ASP A 51 1.133 4.229 -5.894 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.493 4.055 -3.766 1.00 0.00 O ATOM 0 H ASP A 51 2.783 1.070 -6.694 1.00 0.00 H new ATOM 0 HA ASP A 51 0.572 0.415 -4.920 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.685 1.914 -3.680 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.734 2.321 -5.024 1.00 0.00 H new ATOM 665 N PHE A 52 -0.013 1.542 -7.721 1.00 0.00 N ATOM 666 CA PHE A 52 -0.965 2.116 -8.656 1.00 0.00 C ATOM 667 C PHE A 52 -2.016 1.083 -9.073 1.00 0.00 C ATOM 668 O PHE A 52 -1.850 0.397 -10.082 1.00 0.00 O ATOM 669 CB PHE A 52 -0.175 2.550 -9.892 1.00 0.00 C ATOM 670 CG PHE A 52 1.214 3.108 -9.578 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.368 4.027 -8.584 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.293 2.689 -10.290 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.658 4.545 -8.293 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.582 3.207 -9.999 1.00 0.00 C ATOM 675 CZ PHE A 52 3.737 4.125 -9.006 1.00 0.00 C ATOM 0 H PHE A 52 0.664 0.904 -8.140 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.483 2.954 -8.190 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.070 1.696 -10.561 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.747 3.307 -10.429 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.511 4.361 -8.018 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.170 1.961 -11.078 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.782 5.273 -7.505 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.439 2.873 -10.565 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.717 4.520 -8.784 1.00 0.00 H new ATOM 685 N SER A 53 -3.070 1.001 -8.274 1.00 0.00 N ATOM 686 CA SER A 53 -4.145 0.063 -8.548 1.00 0.00 C ATOM 687 C SER A 53 -5.464 0.604 -7.998 1.00 0.00 C ATOM 688 O SER A 53 -5.836 0.307 -6.863 1.00 0.00 O ATOM 689 CB SER A 53 -3.842 -1.312 -7.947 1.00 0.00 C ATOM 690 OG SER A 53 -3.764 -2.325 -8.946 1.00 0.00 O ATOM 0 H SER A 53 -3.202 1.569 -7.437 1.00 0.00 H new ATOM 0 HA SER A 53 -4.231 -0.054 -9.628 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.900 -1.269 -7.400 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.618 -1.572 -7.227 1.00 0.00 H new ATOM 0 HG SER A 53 -3.888 -3.204 -8.531 1.00 0.00 H new ATOM 696 N SER A 54 -6.137 1.389 -8.827 1.00 0.00 N ATOM 697 CA SER A 54 -7.409 1.974 -8.437 1.00 0.00 C ATOM 698 C SER A 54 -8.276 0.924 -7.741 1.00 0.00 C ATOM 699 O SER A 54 -8.325 -0.229 -8.165 1.00 0.00 O ATOM 700 CB SER A 54 -8.143 2.552 -9.648 1.00 0.00 C ATOM 701 OG SER A 54 -8.802 1.542 -10.404 1.00 0.00 O ATOM 0 H SER A 54 -5.825 1.633 -9.767 1.00 0.00 H new ATOM 0 HA SER A 54 -7.212 2.791 -7.742 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.873 3.288 -9.312 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.432 3.077 -10.286 1.00 0.00 H new ATOM 0 HG SER A 54 -9.260 1.951 -11.167 1.00 0.00 H new ATOM 707 N VAL A 55 -8.945 1.362 -6.682 1.00 0.00 N ATOM 708 CA VAL A 55 -9.809 0.474 -5.924 1.00 0.00 C ATOM 709 C VAL A 55 -11.205 1.091 -5.823 1.00 0.00 C ATOM 710 O VAL A 55 -11.374 2.291 -6.033 1.00 0.00 O ATOM 711 CB VAL A 55 -9.187 0.179 -4.558 1.00 0.00 C ATOM 712 CG1 VAL A 55 -9.337 1.376 -3.616 1.00 0.00 C ATOM 713 CG2 VAL A 55 -9.791 -1.085 -3.940 1.00 0.00 C ATOM 0 H VAL A 55 -8.905 2.319 -6.333 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.913 -0.484 -6.434 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.122 0.002 -4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.886 1.139 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.837 2.243 -4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.395 1.599 -3.477 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.331 -1.271 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.865 -0.950 -3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.608 -1.935 -4.598 1.00 0.00 H new ATOM 723 N THR A 56 -12.171 0.244 -5.502 1.00 0.00 N ATOM 724 CA THR A 56 -13.546 0.691 -5.370 1.00 0.00 C ATOM 725 C THR A 56 -14.273 -0.121 -4.297 1.00 0.00 C ATOM 726 O THR A 56 -14.280 -1.352 -4.344 1.00 0.00 O ATOM 727 CB THR A 56 -14.207 0.602 -6.749 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.007 1.896 -7.311 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.728 0.464 -6.662 1.00 0.00 C ATOM 0 H THR A 56 -12.028 -0.751 -5.329 1.00 0.00 H new ATOM 0 HA THR A 56 -13.592 1.727 -5.035 1.00 0.00 H new ATOM 0 HB THR A 56 -13.797 -0.248 -7.295 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.782 2.138 -7.860 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.146 0.405 -7.667 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.980 -0.442 -6.110 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.143 1.330 -6.147 1.00 0.00 H new ATOM 737 N ALA A 57 -14.864 0.596 -3.355 1.00 0.00 N ATOM 738 CA ALA A 57 -15.590 -0.044 -2.270 1.00 0.00 C ATOM 739 C ALA A 57 -17.095 0.085 -2.523 1.00 0.00 C ATOM 740 O ALA A 57 -17.583 1.170 -2.838 1.00 0.00 O ATOM 741 CB ALA A 57 -15.169 0.576 -0.937 1.00 0.00 C ATOM 0 H ALA A 57 -14.856 1.615 -3.319 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.352 -1.107 -2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.714 0.096 -0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.098 0.432 -0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.394 1.642 -0.944 1.00 0.00 H new ATOM 747 N ASP A 58 -17.785 -1.037 -2.378 1.00 0.00 N ATOM 748 CA ASP A 58 -19.221 -1.062 -2.588 1.00 0.00 C ATOM 749 C ASP A 58 -19.871 0.068 -1.786 1.00 0.00 C ATOM 750 O ASP A 58 -19.287 0.565 -0.824 1.00 0.00 O ATOM 751 CB ASP A 58 -19.824 -2.386 -2.113 1.00 0.00 C ATOM 752 CG ASP A 58 -18.920 -3.607 -2.286 1.00 0.00 C ATOM 753 OD1 ASP A 58 -17.895 -3.461 -2.988 1.00 0.00 O ATOM 754 OD2 ASP A 58 -19.273 -4.662 -1.715 1.00 0.00 O ATOM 0 H ASP A 58 -17.376 -1.934 -2.118 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.407 -0.943 -3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.084 -2.292 -1.059 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.753 -2.560 -2.656 1.00 0.00 H new ATOM 760 N ALA A 59 -21.068 0.440 -2.210 1.00 0.00 N ATOM 761 CA ALA A 59 -21.802 1.501 -1.543 1.00 0.00 C ATOM 762 C ALA A 59 -21.650 1.348 -0.029 1.00 0.00 C ATOM 763 O ALA A 59 -21.698 2.333 0.707 1.00 0.00 O ATOM 764 CB ALA A 59 -23.267 1.468 -1.988 1.00 0.00 C ATOM 0 H ALA A 59 -21.549 0.025 -3.008 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.399 2.476 -1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.817 2.264 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.323 1.611 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.705 0.505 -1.727 1.00 0.00 H new ATOM 770 N ASN A 60 -21.467 0.105 0.393 1.00 0.00 N ATOM 771 CA ASN A 60 -21.307 -0.189 1.805 1.00 0.00 C ATOM 772 C ASN A 60 -19.829 -0.080 2.180 1.00 0.00 C ATOM 773 O ASN A 60 -19.345 -0.814 3.043 1.00 0.00 O ATOM 774 CB ASN A 60 -21.773 -1.610 2.129 1.00 0.00 C ATOM 775 CG ASN A 60 -22.383 -1.683 3.529 1.00 0.00 C ATOM 776 OD1 ASN A 60 -22.676 -0.679 4.160 1.00 0.00 O ATOM 777 ND2 ASN A 60 -22.560 -2.922 3.979 1.00 0.00 N ATOM 0 H ASN A 60 -21.426 -0.710 -0.220 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.909 0.525 2.368 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.508 -1.932 1.391 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.930 -2.297 2.060 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.963 -3.076 4.903 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.293 -3.718 3.400 1.00 0.00 H new ATOM 784 N GLY A 61 -19.148 0.841 1.514 1.00 0.00 N ATOM 785 CA GLY A 61 -17.734 1.056 1.765 1.00 0.00 C ATOM 786 C GLY A 61 -16.991 -0.274 1.890 1.00 0.00 C ATOM 787 O GLY A 61 -16.143 -0.439 2.765 1.00 0.00 O ATOM 0 H GLY A 61 -19.551 1.448 0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.302 1.643 0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.607 1.635 2.680 1.00 0.00 H new ATOM 791 N SER A 62 -17.335 -1.195 1.000 1.00 0.00 N ATOM 792 CA SER A 62 -16.710 -2.507 1.001 1.00 0.00 C ATOM 793 C SER A 62 -15.738 -2.624 -0.176 1.00 0.00 C ATOM 794 O SER A 62 -16.153 -2.888 -1.303 1.00 0.00 O ATOM 795 CB SER A 62 -17.762 -3.617 0.932 1.00 0.00 C ATOM 796 OG SER A 62 -18.915 -3.308 1.709 1.00 0.00 O ATOM 0 H SER A 62 -18.038 -1.058 0.274 1.00 0.00 H new ATOM 0 HA SER A 62 -16.158 -2.623 1.934 1.00 0.00 H new ATOM 0 HB2 SER A 62 -18.056 -3.774 -0.106 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.327 -4.552 1.285 1.00 0.00 H new ATOM 0 HG SER A 62 -18.774 -2.461 2.181 1.00 0.00 H new ATOM 802 N ALA A 63 -14.465 -2.421 0.129 1.00 0.00 N ATOM 803 CA ALA A 63 -13.430 -2.499 -0.888 1.00 0.00 C ATOM 804 C ALA A 63 -12.639 -3.795 -0.705 1.00 0.00 C ATOM 805 O ALA A 63 -11.541 -3.782 -0.151 1.00 0.00 O ATOM 806 CB ALA A 63 -12.542 -1.257 -0.811 1.00 0.00 C ATOM 0 H ALA A 63 -14.127 -2.203 1.066 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.872 -2.520 -1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.766 -1.317 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.147 -0.366 -0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.079 -1.202 0.174 1.00 0.00 H new ATOM 812 N SER A 64 -13.227 -4.883 -1.181 1.00 0.00 N ATOM 813 CA SER A 64 -12.589 -6.185 -1.076 1.00 0.00 C ATOM 814 C SER A 64 -11.806 -6.489 -2.355 1.00 0.00 C ATOM 815 O SER A 64 -12.212 -7.336 -3.150 1.00 0.00 O ATOM 816 CB SER A 64 -13.620 -7.284 -0.811 1.00 0.00 C ATOM 817 OG SER A 64 -14.520 -6.930 0.236 1.00 0.00 O ATOM 0 H SER A 64 -14.138 -4.890 -1.640 1.00 0.00 H new ATOM 0 HA SER A 64 -11.899 -6.161 -0.232 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.184 -7.480 -1.723 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.105 -8.209 -0.550 1.00 0.00 H new ATOM 0 HG SER A 64 -15.163 -7.656 0.374 1.00 0.00 H new ATOM 823 N THR A 65 -10.698 -5.782 -2.514 1.00 0.00 N ATOM 824 CA THR A 65 -9.854 -5.964 -3.682 1.00 0.00 C ATOM 825 C THR A 65 -8.522 -6.606 -3.284 1.00 0.00 C ATOM 826 O THR A 65 -7.923 -6.227 -2.278 1.00 0.00 O ATOM 827 CB THR A 65 -9.693 -4.607 -4.369 1.00 0.00 C ATOM 828 OG1 THR A 65 -8.998 -3.814 -3.411 1.00 0.00 O ATOM 829 CG2 THR A 65 -11.029 -3.883 -4.552 1.00 0.00 C ATOM 0 H THR A 65 -10.364 -5.081 -1.852 1.00 0.00 H new ATOM 0 HA THR A 65 -10.310 -6.651 -4.394 1.00 0.00 H new ATOM 0 HB THR A 65 -9.218 -4.745 -5.340 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.228 -3.385 -3.839 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.859 -2.925 -5.044 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.693 -4.493 -5.165 1.00 0.00 H new ATOM 0 HG23 THR A 65 -11.488 -3.714 -3.578 1.00 0.00 H new ATOM 837 N SER A 66 -8.097 -7.564 -4.093 1.00 0.00 N ATOM 838 CA SER A 66 -6.847 -8.260 -3.839 1.00 0.00 C ATOM 839 C SER A 66 -5.736 -7.674 -4.711 1.00 0.00 C ATOM 840 O SER A 66 -5.967 -7.323 -5.867 1.00 0.00 O ATOM 841 CB SER A 66 -6.991 -9.761 -4.098 1.00 0.00 C ATOM 842 OG SER A 66 -7.403 -10.036 -5.434 1.00 0.00 O ATOM 0 H SER A 66 -8.596 -7.875 -4.926 1.00 0.00 H new ATOM 0 HA SER A 66 -6.586 -8.124 -2.790 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.039 -10.255 -3.903 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.717 -10.181 -3.401 1.00 0.00 H new ATOM 0 HG SER A 66 -7.482 -11.005 -5.559 1.00 0.00 H new ATOM 848 N LEU A 67 -4.551 -7.590 -4.123 1.00 0.00 N ATOM 849 CA LEU A 67 -3.402 -7.054 -4.832 1.00 0.00 C ATOM 850 C LEU A 67 -2.178 -7.925 -4.545 1.00 0.00 C ATOM 851 O LEU A 67 -2.222 -8.798 -3.680 1.00 0.00 O ATOM 852 CB LEU A 67 -3.200 -5.576 -4.488 1.00 0.00 C ATOM 853 CG LEU A 67 -3.200 -4.604 -5.669 1.00 0.00 C ATOM 854 CD1 LEU A 67 -2.961 -3.169 -5.198 1.00 0.00 C ATOM 855 CD2 LEU A 67 -2.189 -5.036 -6.734 1.00 0.00 C ATOM 0 H LEU A 67 -4.362 -7.884 -3.165 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.571 -7.086 -5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.986 -5.274 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.252 -5.473 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.186 -4.629 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.966 -2.498 -6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.751 -2.877 -4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.996 -3.107 -4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.209 -4.328 -7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.190 -5.058 -6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.448 -6.030 -7.099 1.00 0.00 H new ATOM 867 N THR A 68 -1.112 -7.658 -5.288 1.00 0.00 N ATOM 868 CA THR A 68 0.121 -8.408 -5.122 1.00 0.00 C ATOM 869 C THR A 68 1.069 -7.673 -4.172 1.00 0.00 C ATOM 870 O THR A 68 1.325 -6.481 -4.344 1.00 0.00 O ATOM 871 CB THR A 68 0.718 -8.648 -6.510 1.00 0.00 C ATOM 872 OG1 THR A 68 -0.207 -9.532 -7.137 1.00 0.00 O ATOM 873 CG2 THR A 68 2.022 -9.446 -6.456 1.00 0.00 C ATOM 0 H THR A 68 -1.078 -6.933 -6.005 1.00 0.00 H new ATOM 0 HA THR A 68 -0.065 -9.377 -4.659 1.00 0.00 H new ATOM 0 HB THR A 68 0.900 -7.691 -6.998 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.102 -9.739 -8.044 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.404 -9.588 -7.467 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.758 -8.901 -5.864 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.835 -10.418 -5.998 1.00 0.00 H new ATOM 881 N VAL A 69 1.564 -8.412 -3.191 1.00 0.00 N ATOM 882 CA VAL A 69 2.478 -7.846 -2.213 1.00 0.00 C ATOM 883 C VAL A 69 3.915 -8.004 -2.713 1.00 0.00 C ATOM 884 O VAL A 69 4.585 -8.983 -2.388 1.00 0.00 O ATOM 885 CB VAL A 69 2.247 -8.490 -0.846 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.374 -8.135 0.126 1.00 0.00 C ATOM 887 CG2 VAL A 69 0.884 -8.090 -0.276 1.00 0.00 C ATOM 0 H VAL A 69 1.349 -9.399 -3.052 1.00 0.00 H new ATOM 0 HA VAL A 69 2.292 -6.779 -2.090 1.00 0.00 H new ATOM 0 HB VAL A 69 2.250 -9.572 -0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.184 -8.606 1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.324 -8.492 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.418 -7.053 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.744 -8.561 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.840 -7.007 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.096 -8.417 -0.954 1.00 0.00 H new ATOM 897 N ARG A 70 4.346 -7.025 -3.494 1.00 0.00 N ATOM 898 CA ARG A 70 5.692 -7.044 -4.044 1.00 0.00 C ATOM 899 C ARG A 70 6.571 -6.017 -3.326 1.00 0.00 C ATOM 900 O ARG A 70 6.803 -4.925 -3.839 1.00 0.00 O ATOM 901 CB ARG A 70 5.680 -6.735 -5.541 1.00 0.00 C ATOM 902 CG ARG A 70 4.707 -7.653 -6.283 1.00 0.00 C ATOM 903 CD ARG A 70 5.458 -8.631 -7.190 1.00 0.00 C ATOM 904 NE ARG A 70 5.035 -8.443 -8.595 1.00 0.00 N ATOM 905 CZ ARG A 70 5.418 -9.232 -9.607 1.00 0.00 C ATOM 906 NH1 ARG A 70 6.234 -10.269 -9.377 1.00 0.00 N ATOM 907 NH2 ARG A 70 4.983 -8.987 -10.852 1.00 0.00 N ATOM 0 H ARG A 70 3.788 -6.214 -3.759 1.00 0.00 H new ATOM 0 HA ARG A 70 6.098 -8.045 -3.895 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.396 -5.695 -5.699 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.683 -6.857 -5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.105 -8.208 -5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.019 -7.054 -6.879 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.533 -8.471 -7.100 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.261 -9.656 -6.876 1.00 0.00 H new ATOM 0 HE ARG A 70 4.412 -7.663 -8.806 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.564 -10.458 -8.431 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.525 -10.870 -10.148 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.360 -8.199 -11.029 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.275 -9.589 -11.622 1.00 0.00 H new ATOM 921 N ARG A 71 7.040 -6.407 -2.148 1.00 0.00 N ATOM 922 CA ARG A 71 7.888 -5.535 -1.354 1.00 0.00 C ATOM 923 C ARG A 71 9.115 -5.111 -2.162 1.00 0.00 C ATOM 924 O ARG A 71 9.658 -4.025 -1.953 1.00 0.00 O ATOM 925 CB ARG A 71 8.346 -6.231 -0.071 1.00 0.00 C ATOM 926 CG ARG A 71 7.856 -5.476 1.167 1.00 0.00 C ATOM 927 CD ARG A 71 6.461 -5.950 1.580 1.00 0.00 C ATOM 928 NE ARG A 71 5.572 -5.996 0.400 1.00 0.00 N ATOM 929 CZ ARG A 71 4.703 -5.025 0.078 1.00 0.00 C ATOM 930 NH1 ARG A 71 4.606 -3.932 0.844 1.00 0.00 N ATOM 931 NH2 ARG A 71 3.934 -5.152 -1.013 1.00 0.00 N ATOM 0 H ARG A 71 6.848 -7.315 -1.725 1.00 0.00 H new ATOM 0 HA ARG A 71 7.302 -4.655 -1.087 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.967 -7.253 -0.052 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.434 -6.294 -0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.554 -5.628 1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.834 -4.406 0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.524 -6.938 2.037 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.047 -5.277 2.331 1.00 0.00 H new ATOM 0 HE ARG A 71 5.622 -6.815 -0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.193 -3.836 1.673 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.945 -3.194 0.599 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.010 -5.985 -1.596 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.273 -4.415 -1.260 1.00 0.00 H new ATOM 945 N SER A 72 9.522 -5.989 -3.069 1.00 0.00 N ATOM 946 CA SER A 72 10.676 -5.718 -3.909 1.00 0.00 C ATOM 947 C SER A 72 10.251 -4.911 -5.137 1.00 0.00 C ATOM 948 O SER A 72 9.539 -5.416 -6.003 1.00 0.00 O ATOM 949 CB SER A 72 11.358 -7.018 -4.340 1.00 0.00 C ATOM 950 OG SER A 72 11.085 -7.341 -5.701 1.00 0.00 O ATOM 0 H SER A 72 9.072 -6.888 -3.240 1.00 0.00 H new ATOM 0 HA SER A 72 11.393 -5.136 -3.330 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.435 -6.926 -4.199 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.021 -7.833 -3.700 1.00 0.00 H new ATOM 0 HG SER A 72 10.148 -7.137 -5.904 1.00 0.00 H new ATOM 956 N PHE A 73 10.704 -3.667 -5.172 1.00 0.00 N ATOM 957 CA PHE A 73 10.382 -2.783 -6.279 1.00 0.00 C ATOM 958 C PHE A 73 11.011 -1.403 -6.081 1.00 0.00 C ATOM 959 O PHE A 73 11.438 -1.062 -4.979 1.00 0.00 O ATOM 960 CB PHE A 73 8.859 -2.637 -6.305 1.00 0.00 C ATOM 961 CG PHE A 73 8.183 -3.380 -7.459 1.00 0.00 C ATOM 962 CD1 PHE A 73 8.653 -3.239 -8.728 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.111 -4.181 -7.218 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.026 -3.929 -9.797 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.483 -4.870 -8.288 1.00 0.00 C ATOM 966 CZ PHE A 73 6.952 -4.730 -9.557 1.00 0.00 C ATOM 0 H PHE A 73 11.292 -3.250 -4.451 1.00 0.00 H new ATOM 0 HA PHE A 73 10.768 -3.198 -7.210 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.453 -3.004 -5.362 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.607 -1.579 -6.370 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.503 -2.602 -8.921 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.737 -4.293 -6.211 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.402 -3.819 -10.804 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.632 -5.506 -8.094 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.474 -5.253 -10.372 1.00 0.00 H new ATOM 976 N GLU A 74 11.049 -0.643 -7.166 1.00 0.00 N ATOM 977 CA GLU A 74 11.618 0.694 -7.125 1.00 0.00 C ATOM 978 C GLU A 74 10.596 1.690 -6.574 1.00 0.00 C ATOM 979 O GLU A 74 9.530 1.878 -7.158 1.00 0.00 O ATOM 980 CB GLU A 74 12.110 1.122 -8.509 1.00 0.00 C ATOM 981 CG GLU A 74 12.746 2.512 -8.458 1.00 0.00 C ATOM 982 CD GLU A 74 12.600 3.232 -9.801 1.00 0.00 C ATOM 983 OE1 GLU A 74 12.150 4.397 -9.774 1.00 0.00 O ATOM 984 OE2 GLU A 74 12.945 2.600 -10.824 1.00 0.00 O ATOM 0 H GLU A 74 10.695 -0.928 -8.079 1.00 0.00 H new ATOM 0 HA GLU A 74 12.479 0.681 -6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.836 0.399 -8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.276 1.125 -9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.275 3.102 -7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.802 2.424 -8.202 1.00 0.00 H new ATOM 992 N GLY A 75 10.957 2.303 -5.455 1.00 0.00 N ATOM 993 CA GLY A 75 10.084 3.273 -4.820 1.00 0.00 C ATOM 994 C GLY A 75 10.265 4.662 -5.440 1.00 0.00 C ATOM 995 O GLY A 75 11.206 4.889 -6.200 1.00 0.00 O ATOM 0 H GLY A 75 11.842 2.146 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.046 2.957 -4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.298 3.317 -3.752 1.00 0.00 H new ATOM 999 N PHE A 76 9.350 5.554 -5.091 1.00 0.00 N ATOM 1000 CA PHE A 76 9.397 6.913 -5.604 1.00 0.00 C ATOM 1001 C PHE A 76 9.019 7.922 -4.516 1.00 0.00 C ATOM 1002 O PHE A 76 7.934 7.847 -3.944 1.00 0.00 O ATOM 1003 CB PHE A 76 8.373 6.999 -6.739 1.00 0.00 C ATOM 1004 CG PHE A 76 7.777 8.394 -6.935 1.00 0.00 C ATOM 1005 CD1 PHE A 76 6.729 8.801 -6.171 1.00 0.00 C ATOM 1006 CD2 PHE A 76 8.297 9.228 -7.877 1.00 0.00 C ATOM 1007 CE1 PHE A 76 6.178 10.097 -6.353 1.00 0.00 C ATOM 1008 CE2 PHE A 76 7.745 10.523 -8.059 1.00 0.00 C ATOM 1009 CZ PHE A 76 6.696 10.931 -7.295 1.00 0.00 C ATOM 0 H PHE A 76 8.572 5.363 -4.460 1.00 0.00 H new ATOM 0 HA PHE A 76 10.405 7.147 -5.947 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.848 6.684 -7.668 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.565 6.295 -6.540 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.315 8.138 -5.425 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.129 8.905 -8.485 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.347 10.421 -5.743 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.158 11.185 -8.805 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.275 11.916 -7.436 1.00 0.00 H new ATOM 1019 N LEU A 77 9.939 8.843 -4.266 1.00 0.00 N ATOM 1020 CA LEU A 77 9.718 9.866 -3.259 1.00 0.00 C ATOM 1021 C LEU A 77 8.534 10.740 -3.676 1.00 0.00 C ATOM 1022 O LEU A 77 8.407 11.102 -4.844 1.00 0.00 O ATOM 1023 CB LEU A 77 11.003 10.653 -3.003 1.00 0.00 C ATOM 1024 CG LEU A 77 12.262 9.821 -2.748 1.00 0.00 C ATOM 1025 CD1 LEU A 77 11.901 8.444 -2.185 1.00 0.00 C ATOM 1026 CD2 LEU A 77 13.119 9.720 -4.011 1.00 0.00 C ATOM 0 H LEU A 77 10.838 8.902 -4.744 1.00 0.00 H new ATOM 0 HA LEU A 77 9.456 9.409 -2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.187 11.299 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.842 11.303 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 77 12.863 10.330 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.812 7.871 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.364 8.565 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.269 7.914 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.007 9.124 -3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.542 9.246 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.419 10.719 -4.328 1.00 0.00 H new ATOM 1038 N PHE A 78 7.697 11.053 -2.698 1.00 0.00 N ATOM 1039 CA PHE A 78 6.526 11.877 -2.950 1.00 0.00 C ATOM 1040 C PHE A 78 6.926 13.230 -3.542 1.00 0.00 C ATOM 1041 O PHE A 78 6.145 13.852 -4.261 1.00 0.00 O ATOM 1042 CB PHE A 78 5.842 12.106 -1.601 1.00 0.00 C ATOM 1043 CG PHE A 78 6.542 13.140 -0.716 1.00 0.00 C ATOM 1044 CD1 PHE A 78 7.575 12.764 0.085 1.00 0.00 C ATOM 1045 CD2 PHE A 78 6.131 14.436 -0.730 1.00 0.00 C ATOM 1046 CE1 PHE A 78 8.224 13.724 0.906 1.00 0.00 C ATOM 1047 CE2 PHE A 78 6.779 15.396 0.092 1.00 0.00 C ATOM 1048 CZ PHE A 78 7.813 15.019 0.892 1.00 0.00 C ATOM 0 H PHE A 78 7.806 10.751 -1.730 1.00 0.00 H new ATOM 0 HA PHE A 78 5.866 11.380 -3.661 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.815 12.428 -1.776 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.792 11.158 -1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.902 11.735 0.097 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.311 14.736 -1.366 1.00 0.00 H new ATOM 0 HE1 PHE A 78 9.044 13.425 1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.451 16.425 0.082 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.307 15.749 1.516 1.00 0.00 H new ATOM 1058 N ASP A 79 8.142 13.645 -3.219 1.00 0.00 N ATOM 1059 CA ASP A 79 8.655 14.913 -3.709 1.00 0.00 C ATOM 1060 C ASP A 79 8.490 14.971 -5.229 1.00 0.00 C ATOM 1061 O ASP A 79 7.922 15.925 -5.760 1.00 0.00 O ATOM 1062 CB ASP A 79 10.144 15.066 -3.391 1.00 0.00 C ATOM 1063 CG ASP A 79 10.574 16.473 -2.973 1.00 0.00 C ATOM 1064 OD1 ASP A 79 10.555 17.358 -3.857 1.00 0.00 O ATOM 1065 OD2 ASP A 79 10.912 16.633 -1.779 1.00 0.00 O ATOM 0 H ASP A 79 8.787 13.125 -2.624 1.00 0.00 H new ATOM 0 HA ASP A 79 8.098 15.713 -3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.403 14.371 -2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.720 14.772 -4.269 1.00 0.00 H new ATOM 1071 N GLY A 80 8.997 13.940 -5.887 1.00 0.00 N ATOM 1072 CA GLY A 80 8.912 13.860 -7.336 1.00 0.00 C ATOM 1073 C GLY A 80 10.035 12.992 -7.905 1.00 0.00 C ATOM 1074 O GLY A 80 9.925 12.479 -9.017 1.00 0.00 O ATOM 0 H GLY A 80 9.469 13.152 -5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.946 13.446 -7.625 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.970 14.861 -7.763 1.00 0.00 H new ATOM 1078 N THR A 81 11.090 12.856 -7.115 1.00 0.00 N ATOM 1079 CA THR A 81 12.234 12.058 -7.526 1.00 0.00 C ATOM 1080 C THR A 81 12.028 10.591 -7.139 1.00 0.00 C ATOM 1081 O THR A 81 11.389 10.296 -6.131 1.00 0.00 O ATOM 1082 CB THR A 81 13.489 12.678 -6.911 1.00 0.00 C ATOM 1083 OG1 THR A 81 13.488 14.017 -7.396 1.00 0.00 O ATOM 1084 CG2 THR A 81 14.778 12.078 -7.477 1.00 0.00 C ATOM 0 H THR A 81 11.177 13.284 -6.193 1.00 0.00 H new ATOM 0 HA THR A 81 12.350 12.062 -8.610 1.00 0.00 H new ATOM 0 HB THR A 81 13.469 12.539 -5.830 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.269 14.493 -7.044 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.638 12.554 -7.006 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.800 11.007 -7.275 1.00 0.00 H new ATOM 0 HG23 THR A 81 14.815 12.245 -8.553 1.00 0.00 H new ATOM 1092 N ARG A 82 12.582 9.714 -7.962 1.00 0.00 N ATOM 1093 CA ARG A 82 12.467 8.285 -7.719 1.00 0.00 C ATOM 1094 C ARG A 82 13.644 7.795 -6.873 1.00 0.00 C ATOM 1095 O ARG A 82 14.773 8.250 -7.050 1.00 0.00 O ATOM 1096 CB ARG A 82 12.432 7.503 -9.033 1.00 0.00 C ATOM 1097 CG ARG A 82 13.678 7.786 -9.873 1.00 0.00 C ATOM 1098 CD ARG A 82 13.300 8.305 -11.262 1.00 0.00 C ATOM 1099 NE ARG A 82 14.519 8.631 -12.032 1.00 0.00 N ATOM 1100 CZ ARG A 82 14.512 9.153 -13.265 1.00 0.00 C ATOM 1101 NH1 ARG A 82 13.348 9.414 -13.877 1.00 0.00 N ATOM 1102 NH2 ARG A 82 15.669 9.416 -13.890 1.00 0.00 N ATOM 0 H ARG A 82 13.111 9.964 -8.797 1.00 0.00 H new ATOM 0 HA ARG A 82 11.533 8.114 -7.184 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.365 6.435 -8.823 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.540 7.773 -9.597 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.304 8.520 -9.365 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.269 6.876 -9.970 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.715 7.554 -11.793 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.672 9.191 -11.169 1.00 0.00 H new ATOM 0 HE ARG A 82 15.423 8.447 -11.596 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.467 9.215 -13.403 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.344 9.812 -14.816 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.556 9.218 -13.426 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.662 9.814 -14.829 1.00 0.00 H new ATOM 1116 N TRP A 83 13.339 6.871 -5.971 1.00 0.00 N ATOM 1117 CA TRP A 83 14.359 6.314 -5.099 1.00 0.00 C ATOM 1118 C TRP A 83 14.679 4.900 -5.586 1.00 0.00 C ATOM 1119 O TRP A 83 15.550 4.716 -6.435 1.00 0.00 O ATOM 1120 CB TRP A 83 13.908 6.353 -3.637 1.00 0.00 C ATOM 1121 CG TRP A 83 14.876 5.669 -2.669 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.838 4.407 -2.217 1.00 0.00 C ATOM 1123 CD2 TRP A 83 16.035 6.265 -2.048 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.883 4.147 -1.355 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.632 5.313 -1.248 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.560 7.564 -2.157 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.789 5.559 -0.496 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.714 7.794 -1.400 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.330 6.847 -0.590 1.00 0.00 C ATOM 0 H TRP A 83 12.402 6.496 -5.826 1.00 0.00 H new ATOM 0 HA TRP A 83 15.270 6.911 -5.141 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.781 7.392 -3.334 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.931 5.876 -3.556 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.084 3.685 -2.493 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.071 3.262 -0.883 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.108 8.325 -2.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 18.239 4.796 0.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.158 8.777 -1.448 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.221 7.103 -0.036 1.00 0.00 H new ATOM 1140 N GLY A 84 13.956 3.938 -5.032 1.00 0.00 N ATOM 1141 CA GLY A 84 14.152 2.547 -5.401 1.00 0.00 C ATOM 1142 C GLY A 84 13.915 1.624 -4.203 1.00 0.00 C ATOM 1143 O GLY A 84 12.843 1.036 -4.072 1.00 0.00 O ATOM 0 H GLY A 84 13.233 4.095 -4.330 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.471 2.282 -6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.165 2.406 -5.779 1.00 0.00 H new ATOM 1147 N THR A 85 14.934 1.526 -3.363 1.00 0.00 N ATOM 1148 CA THR A 85 14.849 0.685 -2.181 1.00 0.00 C ATOM 1149 C THR A 85 14.814 -0.793 -2.579 1.00 0.00 C ATOM 1150 O THR A 85 15.649 -1.580 -2.136 1.00 0.00 O ATOM 1151 CB THR A 85 13.628 1.125 -1.371 1.00 0.00 C ATOM 1152 OG1 THR A 85 14.040 2.342 -0.757 1.00 0.00 O ATOM 1153 CG2 THR A 85 13.338 0.192 -0.195 1.00 0.00 C ATOM 0 H THR A 85 15.822 2.014 -3.477 1.00 0.00 H new ATOM 0 HA THR A 85 15.731 0.800 -1.552 1.00 0.00 H new ATOM 0 HB THR A 85 12.756 1.167 -2.023 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.712 2.781 -1.319 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.462 0.550 0.346 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.148 -0.815 -0.567 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.197 0.175 0.476 1.00 0.00 H new ATOM 1161 N VAL A 86 13.837 -1.123 -3.412 1.00 0.00 N ATOM 1162 CA VAL A 86 13.680 -2.492 -3.876 1.00 0.00 C ATOM 1163 C VAL A 86 13.047 -3.332 -2.764 1.00 0.00 C ATOM 1164 O VAL A 86 11.844 -3.246 -2.526 1.00 0.00 O ATOM 1165 CB VAL A 86 15.029 -3.041 -4.348 1.00 0.00 C ATOM 1166 CG1 VAL A 86 14.882 -4.468 -4.879 1.00 0.00 C ATOM 1167 CG2 VAL A 86 15.657 -2.126 -5.399 1.00 0.00 C ATOM 0 H VAL A 86 13.147 -0.467 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 86 13.010 -2.532 -4.735 1.00 0.00 H new ATOM 0 HB VAL A 86 15.699 -3.070 -3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 86 15.854 -4.836 -5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.499 -5.113 -4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.188 -4.474 -5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.614 -2.540 -5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.992 -2.049 -6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.814 -1.135 -4.972 1.00 0.00 H new ATOM 1177 N ASP A 87 13.887 -4.128 -2.118 1.00 0.00 N ATOM 1178 CA ASP A 87 13.423 -4.983 -1.038 1.00 0.00 C ATOM 1179 C ASP A 87 12.942 -4.115 0.125 1.00 0.00 C ATOM 1180 O ASP A 87 13.720 -3.777 1.015 1.00 0.00 O ATOM 1181 CB ASP A 87 14.550 -5.881 -0.524 1.00 0.00 C ATOM 1182 CG ASP A 87 14.201 -7.364 -0.420 1.00 0.00 C ATOM 1183 OD1 ASP A 87 14.389 -7.919 0.683 1.00 0.00 O ATOM 1184 OD2 ASP A 87 13.753 -7.915 -1.452 1.00 0.00 O ATOM 0 H ASP A 87 14.884 -4.199 -2.321 1.00 0.00 H new ATOM 0 HA ASP A 87 12.614 -5.604 -1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.410 -5.772 -1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 87 14.856 -5.526 0.460 1.00 0.00 H new ATOM 1190 N CYS A 88 11.660 -3.777 0.080 1.00 0.00 N ATOM 1191 CA CYS A 88 11.066 -2.955 1.119 1.00 0.00 C ATOM 1192 C CYS A 88 10.903 -3.811 2.376 1.00 0.00 C ATOM 1193 O CYS A 88 9.787 -4.006 2.859 1.00 0.00 O ATOM 1194 CB CYS A 88 9.738 -2.345 0.666 1.00 0.00 C ATOM 1195 SG CYS A 88 8.769 -1.543 1.997 1.00 0.00 S ATOM 0 H CYS A 88 11.017 -4.058 -0.661 1.00 0.00 H new ATOM 0 HA CYS A 88 11.721 -2.112 1.339 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.939 -1.609 -0.112 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.130 -3.128 0.214 1.00 0.00 H new ATOM 1200 N THR A 89 12.030 -4.300 2.871 1.00 0.00 N ATOM 1201 CA THR A 89 12.026 -5.133 4.062 1.00 0.00 C ATOM 1202 C THR A 89 12.504 -4.330 5.274 1.00 0.00 C ATOM 1203 O THR A 89 12.365 -4.777 6.412 1.00 0.00 O ATOM 1204 CB THR A 89 12.878 -6.370 3.777 1.00 0.00 C ATOM 1205 OG1 THR A 89 12.802 -7.129 4.983 1.00 0.00 O ATOM 1206 CG2 THR A 89 14.365 -6.037 3.641 1.00 0.00 C ATOM 0 H THR A 89 12.953 -4.135 2.469 1.00 0.00 H new ATOM 0 HA THR A 89 11.018 -5.467 4.309 1.00 0.00 H new ATOM 0 HB THR A 89 12.528 -6.850 2.863 1.00 0.00 H new ATOM 0 HG1 THR A 89 11.896 -7.069 5.351 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.925 -6.950 3.439 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.507 -5.335 2.819 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.724 -5.589 4.567 1.00 0.00 H new ATOM 1214 N THR A 90 13.056 -3.161 4.988 1.00 0.00 N ATOM 1215 CA THR A 90 13.554 -2.292 6.040 1.00 0.00 C ATOM 1216 C THR A 90 12.453 -1.343 6.518 1.00 0.00 C ATOM 1217 O THR A 90 12.109 -1.329 7.698 1.00 0.00 O ATOM 1218 CB THR A 90 14.792 -1.566 5.509 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.755 -2.604 5.336 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.423 -0.643 6.552 1.00 0.00 C ATOM 0 H THR A 90 13.170 -2.795 4.043 1.00 0.00 H new ATOM 0 HA THR A 90 13.847 -2.867 6.919 1.00 0.00 H new ATOM 0 HB THR A 90 14.521 -0.985 4.627 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.589 -2.222 4.992 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.297 -0.153 6.123 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.698 0.111 6.857 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.725 -1.228 7.421 1.00 0.00 H new ATOM 1228 N ALA A 91 11.930 -0.574 5.574 1.00 0.00 N ATOM 1229 CA ALA A 91 10.874 0.375 5.883 1.00 0.00 C ATOM 1230 C ALA A 91 9.516 -0.308 5.713 1.00 0.00 C ATOM 1231 O ALA A 91 9.218 -0.852 4.650 1.00 0.00 O ATOM 1232 CB ALA A 91 11.021 1.610 4.993 1.00 0.00 C ATOM 0 H ALA A 91 12.218 -0.589 4.596 1.00 0.00 H new ATOM 0 HA ALA A 91 10.948 0.709 6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.229 2.322 5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.990 2.075 5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.949 1.315 3.946 1.00 0.00 H new ATOM 1238 N ALA A 92 8.725 -0.257 6.776 1.00 0.00 N ATOM 1239 CA ALA A 92 7.405 -0.864 6.758 1.00 0.00 C ATOM 1240 C ALA A 92 6.569 -0.220 5.651 1.00 0.00 C ATOM 1241 O ALA A 92 6.346 0.990 5.659 1.00 0.00 O ATOM 1242 CB ALA A 92 6.759 -0.718 8.136 1.00 0.00 C ATOM 0 H ALA A 92 8.974 0.196 7.655 1.00 0.00 H new ATOM 0 HA ALA A 92 7.474 -1.930 6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.769 -1.173 8.124 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.378 -1.216 8.883 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.669 0.339 8.386 1.00 0.00 H new ATOM 1248 N CYS A 93 6.128 -1.059 4.723 1.00 0.00 N ATOM 1249 CA CYS A 93 5.321 -0.587 3.612 1.00 0.00 C ATOM 1250 C CYS A 93 3.848 -0.664 4.019 1.00 0.00 C ATOM 1251 O CYS A 93 3.372 -1.718 4.439 1.00 0.00 O ATOM 1252 CB CYS A 93 5.601 -1.377 2.333 1.00 0.00 C ATOM 1253 SG CYS A 93 7.125 -2.391 2.375 1.00 0.00 S ATOM 0 H CYS A 93 6.315 -2.062 4.719 1.00 0.00 H new ATOM 0 HA CYS A 93 5.580 0.447 3.386 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.752 -2.031 2.133 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.669 -0.679 1.499 1.00 0.00 H new ATOM 1258 N GLN A 94 3.167 0.465 3.883 1.00 0.00 N ATOM 1259 CA GLN A 94 1.760 0.537 4.231 1.00 0.00 C ATOM 1260 C GLN A 94 0.895 0.388 2.978 1.00 0.00 C ATOM 1261 O GLN A 94 0.866 1.279 2.131 1.00 0.00 O ATOM 1262 CB GLN A 94 1.442 1.841 4.966 1.00 0.00 C ATOM 1263 CG GLN A 94 2.076 1.854 6.358 1.00 0.00 C ATOM 1264 CD GLN A 94 2.694 3.221 6.666 1.00 0.00 C ATOM 1265 OE1 GLN A 94 2.045 4.123 7.169 1.00 0.00 O ATOM 1266 NE2 GLN A 94 3.979 3.322 6.338 1.00 0.00 N ATOM 0 H GLN A 94 3.565 1.338 3.536 1.00 0.00 H new ATOM 0 HA GLN A 94 1.531 -0.287 4.907 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.810 2.688 4.387 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.362 1.959 5.053 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.322 1.615 7.107 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.843 1.082 6.420 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.463 2.527 5.920 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.481 4.194 6.505 1.00 0.00 H new ATOM 1275 N VAL A 95 0.209 -0.742 2.902 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.654 -1.019 1.766 1.00 0.00 C ATOM 1277 C VAL A 95 -2.037 -0.414 2.023 1.00 0.00 C ATOM 1278 O VAL A 95 -2.811 -0.945 2.818 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.702 -2.525 1.498 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.418 -2.825 0.179 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.704 -3.126 1.507 1.00 0.00 C ATOM 0 H VAL A 95 0.233 -1.477 3.609 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.257 -0.555 0.863 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.272 -2.991 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.438 -3.902 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.439 -2.446 0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.888 -2.341 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.643 -4.197 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.307 -2.652 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.165 -2.958 2.480 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.303 0.687 1.338 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.576 1.369 1.482 1.00 0.00 C ATOM 1293 C GLY A 96 -3.922 2.161 0.220 1.00 0.00 C ATOM 1294 O GLY A 96 -3.121 2.230 -0.712 1.00 0.00 O ATOM 0 H GLY A 96 -1.657 1.124 0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.361 0.641 1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.537 2.042 2.338 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.115 2.739 0.228 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.576 3.524 -0.905 1.00 0.00 C ATOM 1300 C LEU A 97 -5.588 5.004 -0.523 1.00 0.00 C ATOM 1301 O LEU A 97 -6.041 5.364 0.564 1.00 0.00 O ATOM 1302 CB LEU A 97 -6.924 3.002 -1.402 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.915 2.565 -0.322 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -7.449 1.279 0.361 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -8.162 3.692 0.684 1.00 0.00 C ATOM 0 H LEU A 97 -5.777 2.679 1.002 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.892 3.420 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.393 3.781 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.741 2.155 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.869 2.347 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.171 0.990 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.366 0.483 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.477 1.445 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.870 3.355 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.222 3.965 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.570 4.559 0.166 1.00 0.00 H new ATOM 1317 N SER A 98 -5.089 5.823 -1.436 1.00 0.00 N ATOM 1318 CA SER A 98 -5.038 7.258 -1.208 1.00 0.00 C ATOM 1319 C SER A 98 -6.287 7.924 -1.791 1.00 0.00 C ATOM 1320 O SER A 98 -6.680 7.634 -2.920 1.00 0.00 O ATOM 1321 CB SER A 98 -3.776 7.870 -1.819 1.00 0.00 C ATOM 1322 OG SER A 98 -4.059 9.054 -2.556 1.00 0.00 O ATOM 0 H SER A 98 -4.716 5.521 -2.336 1.00 0.00 H new ATOM 0 HA SER A 98 -5.008 7.432 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.064 8.098 -1.026 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.300 7.140 -2.474 1.00 0.00 H new ATOM 0 HG SER A 98 -4.383 8.814 -3.449 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.875 8.805 -0.995 1.00 0.00 N ATOM 1329 CA ASP A 99 -8.069 9.515 -1.418 1.00 0.00 C ATOM 1330 C ASP A 99 -7.699 10.523 -2.510 1.00 0.00 C ATOM 1331 O ASP A 99 -6.533 10.885 -2.657 1.00 0.00 O ATOM 1332 CB ASP A 99 -8.691 10.289 -0.255 1.00 0.00 C ATOM 1333 CG ASP A 99 -8.389 9.722 1.133 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -7.295 10.040 1.650 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -9.255 8.984 1.648 1.00 0.00 O ATOM 0 H ASP A 99 -6.546 9.043 -0.059 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.784 8.780 -1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.339 11.320 -0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.772 10.316 -0.393 1.00 0.00 H new ATOM 1341 N ALA A 100 -8.714 10.945 -3.249 1.00 0.00 N ATOM 1342 CA ALA A 100 -8.510 11.902 -4.324 1.00 0.00 C ATOM 1343 C ALA A 100 -8.610 13.322 -3.762 1.00 0.00 C ATOM 1344 O ALA A 100 -8.677 14.290 -4.517 1.00 0.00 O ATOM 1345 CB ALA A 100 -9.527 11.644 -5.438 1.00 0.00 C ATOM 0 H ALA A 100 -9.680 10.642 -3.125 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.516 11.787 -4.757 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.374 12.362 -6.244 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.396 10.633 -5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.536 11.754 -5.042 1.00 0.00 H new ATOM 1351 N ALA A 101 -8.616 13.402 -2.438 1.00 0.00 N ATOM 1352 CA ALA A 101 -8.708 14.685 -1.767 1.00 0.00 C ATOM 1353 C ALA A 101 -7.298 15.206 -1.479 1.00 0.00 C ATOM 1354 O ALA A 101 -7.091 16.410 -1.346 1.00 0.00 O ATOM 1355 CB ALA A 101 -9.545 14.538 -0.496 1.00 0.00 C ATOM 0 H ALA A 101 -8.559 12.597 -1.814 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.207 15.416 -2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.614 15.502 0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -10.545 14.193 -0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -9.073 13.814 0.169 1.00 0.00 H new ATOM 1361 N GLY A 102 -6.362 14.270 -1.392 1.00 0.00 N ATOM 1362 CA GLY A 102 -4.978 14.620 -1.120 1.00 0.00 C ATOM 1363 C GLY A 102 -4.561 14.165 0.278 1.00 0.00 C ATOM 1364 O GLY A 102 -3.827 14.869 0.972 1.00 0.00 O ATOM 0 H GLY A 102 -6.535 13.271 -1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.330 14.158 -1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.848 15.699 -1.209 1.00 0.00 H new ATOM 1368 N ASN A 103 -5.045 12.988 0.652 1.00 0.00 N ATOM 1369 CA ASN A 103 -4.731 12.430 1.957 1.00 0.00 C ATOM 1370 C ASN A 103 -4.458 10.932 1.813 1.00 0.00 C ATOM 1371 O ASN A 103 -4.977 10.288 0.902 1.00 0.00 O ATOM 1372 CB ASN A 103 -5.901 12.609 2.928 1.00 0.00 C ATOM 1373 CG ASN A 103 -6.785 13.784 2.511 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -7.977 13.651 2.295 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -6.135 14.941 2.411 1.00 0.00 N ATOM 0 H ASN A 103 -5.652 12.406 0.074 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.857 12.952 2.347 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.495 11.696 2.959 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.520 12.776 3.935 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -6.637 15.786 2.139 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.135 14.983 2.606 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.645 10.420 2.726 1.00 0.00 N ATOM 1383 CA GLY A 104 -3.297 9.009 2.712 1.00 0.00 C ATOM 1384 C GLY A 104 -3.384 8.411 4.117 1.00 0.00 C ATOM 1385 O GLY A 104 -2.381 7.954 4.664 1.00 0.00 O ATOM 0 H GLY A 104 -3.217 10.957 3.480 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.968 8.472 2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.287 8.883 2.321 1.00 0.00 H new ATOM 1389 N PRO A 105 -4.625 8.430 4.676 1.00 0.00 N ATOM 1390 CA PRO A 105 -4.854 7.894 6.007 1.00 0.00 C ATOM 1391 C PRO A 105 -4.849 6.365 5.992 1.00 0.00 C ATOM 1392 O PRO A 105 -4.542 5.731 6.999 1.00 0.00 O ATOM 1393 CB PRO A 105 -6.188 8.478 6.441 1.00 0.00 C ATOM 1394 CG PRO A 105 -6.874 8.942 5.166 1.00 0.00 C ATOM 1395 CD PRO A 105 -5.836 8.962 4.058 1.00 0.00 C ATOM 0 HA PRO A 105 -4.066 8.165 6.710 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.791 7.732 6.960 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.045 9.309 7.132 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.694 8.272 4.908 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.304 9.934 5.304 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.149 8.352 3.211 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.678 9.973 3.682 1.00 0.00 H new ATOM 1403 N GLU A 106 -5.190 5.817 4.833 1.00 0.00 N ATOM 1404 CA GLU A 106 -5.229 4.373 4.674 1.00 0.00 C ATOM 1405 C GLU A 106 -3.817 3.825 4.453 1.00 0.00 C ATOM 1406 O GLU A 106 -3.001 4.455 3.780 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.157 3.972 3.524 1.00 0.00 C ATOM 1408 CG GLU A 106 -7.370 3.199 4.044 1.00 0.00 C ATOM 1409 CD GLU A 106 -8.299 4.112 4.848 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -8.111 4.169 6.083 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -9.177 4.733 4.210 1.00 0.00 O ATOM 0 H GLU A 106 -5.441 6.346 3.998 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.629 3.938 5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.490 4.864 2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.610 3.359 2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.916 2.766 3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.037 2.371 4.670 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.571 2.659 5.033 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.271 2.022 4.909 1.00 0.00 C ATOM 1421 C GLY A 107 -2.097 0.925 5.961 1.00 0.00 C ATOM 1422 O GLY A 107 -1.964 1.214 7.148 1.00 0.00 O ATOM 0 H GLY A 107 -4.250 2.139 5.590 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.165 1.595 3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.484 2.768 5.022 1.00 0.00 H new ATOM 1426 N VAL A 108 -2.101 -0.314 5.485 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.944 -1.454 6.370 1.00 0.00 C ATOM 1428 C VAL A 108 -0.464 -1.832 6.452 1.00 0.00 C ATOM 1429 O VAL A 108 0.219 -1.902 5.432 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.829 -2.609 5.898 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.292 -3.217 4.600 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.969 -3.675 6.985 1.00 0.00 C ATOM 0 H VAL A 108 -2.210 -0.551 4.499 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.272 -1.201 7.378 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.822 -2.207 5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.940 -4.036 4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.270 -2.454 3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.283 -3.595 4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.603 -4.484 6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.985 -4.070 7.236 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.419 -3.232 7.873 1.00 0.00 H new ATOM 1442 N ALA A 109 -0.012 -2.063 7.677 1.00 0.00 N ATOM 1443 CA ALA A 109 1.376 -2.433 7.904 1.00 0.00 C ATOM 1444 C ALA A 109 1.611 -3.856 7.397 1.00 0.00 C ATOM 1445 O ALA A 109 1.366 -4.824 8.117 1.00 0.00 O ATOM 1446 CB ALA A 109 1.706 -2.281 9.391 1.00 0.00 C ATOM 0 H ALA A 109 -0.581 -2.001 8.521 1.00 0.00 H new ATOM 0 HA ALA A 109 2.045 -1.773 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.746 -2.558 9.563 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.551 -1.245 9.694 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.056 -2.931 9.976 1.00 0.00 H new ATOM 1452 N ILE A 110 2.083 -3.939 6.162 1.00 0.00 N ATOM 1453 CA ILE A 110 2.355 -5.229 5.549 1.00 0.00 C ATOM 1454 C ILE A 110 3.583 -5.855 6.213 1.00 0.00 C ATOM 1455 O ILE A 110 4.676 -5.295 6.157 1.00 0.00 O ATOM 1456 CB ILE A 110 2.481 -5.086 4.032 1.00 0.00 C ATOM 1457 CG1 ILE A 110 1.326 -5.789 3.316 1.00 0.00 C ATOM 1458 CG2 ILE A 110 3.844 -5.583 3.546 1.00 0.00 C ATOM 1459 CD1 ILE A 110 1.562 -5.833 1.806 1.00 0.00 C ATOM 0 H ILE A 110 2.284 -3.134 5.569 1.00 0.00 H new ATOM 0 HA ILE A 110 1.521 -5.912 5.712 1.00 0.00 H new ATOM 0 HB ILE A 110 2.416 -4.027 3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.219 -6.803 3.700 1.00 0.00 H new ATOM 0 HG13 ILE A 110 0.392 -5.268 3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.908 -5.470 2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 110 4.634 -4.999 4.019 1.00 0.00 H new ATOM 0 HG23 ILE A 110 3.963 -6.634 3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.726 -6.338 1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 110 1.644 -4.817 1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.484 -6.376 1.597 1.00 0.00 H new ATOM 1471 N SER A 111 3.362 -7.010 6.823 1.00 0.00 N ATOM 1472 CA SER A 111 4.436 -7.719 7.499 1.00 0.00 C ATOM 1473 C SER A 111 5.375 -8.348 6.465 1.00 0.00 C ATOM 1474 O SER A 111 5.583 -9.559 6.469 1.00 0.00 O ATOM 1475 CB SER A 111 3.884 -8.793 8.438 1.00 0.00 C ATOM 1476 OG SER A 111 4.869 -9.251 9.360 1.00 0.00 O ATOM 0 H SER A 111 2.454 -7.473 6.863 1.00 0.00 H new ATOM 0 HA SER A 111 4.994 -7.003 8.102 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.032 -8.392 8.987 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.517 -9.635 7.851 1.00 0.00 H new ATOM 0 HG SER A 111 4.478 -9.935 9.943 1.00 0.00 H new ATOM 1482 N PHE A 112 5.916 -7.495 5.609 1.00 0.00 N ATOM 1483 CA PHE A 112 6.826 -7.952 4.573 1.00 0.00 C ATOM 1484 C PHE A 112 7.682 -9.117 5.072 1.00 0.00 C ATOM 1485 O PHE A 112 7.933 -9.243 6.270 1.00 0.00 O ATOM 1486 CB PHE A 112 7.743 -6.773 4.230 1.00 0.00 C ATOM 1487 CG PHE A 112 8.602 -6.292 5.400 1.00 0.00 C ATOM 1488 CD1 PHE A 112 9.685 -7.015 5.790 1.00 0.00 C ATOM 1489 CD2 PHE A 112 8.283 -5.142 6.049 1.00 0.00 C ATOM 1490 CE1 PHE A 112 10.483 -6.569 6.875 1.00 0.00 C ATOM 1491 CE2 PHE A 112 9.082 -4.693 7.134 1.00 0.00 C ATOM 1492 CZ PHE A 112 10.164 -5.418 7.525 1.00 0.00 C ATOM 0 H PHE A 112 5.742 -6.490 5.611 1.00 0.00 H new ATOM 0 HA PHE A 112 6.261 -8.294 3.706 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.397 -7.062 3.407 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.133 -5.943 3.875 1.00 0.00 H new ATOM 0 HD1 PHE A 112 9.938 -7.929 5.274 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.421 -4.569 5.740 1.00 0.00 H new ATOM 0 HE1 PHE A 112 11.344 -7.143 7.185 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.831 -3.777 7.648 1.00 0.00 H new ATOM 0 HZ PHE A 112 10.770 -5.079 8.352 1.00 0.00 H new ATOM 1502 N ASN A 113 8.110 -9.942 4.128 1.00 0.00 N ATOM 1503 CA ASN A 113 8.933 -11.093 4.455 1.00 0.00 C ATOM 1504 C ASN A 113 9.999 -10.681 5.473 1.00 0.00 C ATOM 1505 O ASN A 113 10.428 -11.493 6.291 1.00 0.00 O ATOM 1506 CB ASN A 113 9.649 -11.632 3.215 1.00 0.00 C ATOM 1507 CG ASN A 113 10.434 -12.904 3.541 1.00 0.00 C ATOM 1508 OD1 ASN A 113 11.522 -12.868 4.093 1.00 0.00 O ATOM 1509 ND2 ASN A 113 9.821 -14.027 3.175 1.00 0.00 N ATOM 0 H ASN A 113 7.902 -9.836 3.135 1.00 0.00 H new ATOM 0 HA ASN A 113 8.281 -11.867 4.859 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.920 -11.842 2.433 1.00 0.00 H new ATOM 0 HB3 ASN A 113 10.327 -10.873 2.824 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.261 -14.930 3.353 1.00 0.00 H new ATOM 0 HD22 ASN A 113 8.911 -13.985 2.717 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.806 7.487 1.219 1.00 0.00 C HETATM 1518 C6 NCZ A 130 0.361 7.080 -0.044 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.467 5.940 -0.135 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -0.921 5.480 -1.365 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.521 6.127 -2.518 1.00 0.00 C HETATM 1522 C9 NCZ A 130 0.310 7.259 -2.456 1.00 0.00 C HETATM 1523 C10 NCZ A 130 0.738 7.788 -1.206 1.00 0.00 C HETATM 1524 C11 NCZ A 130 1.184 9.160 -1.129 1.00 0.00 C HETATM 1525 O3 NCZ A 130 1.669 9.704 -2.122 1.00 0.00 O HETATM 1526 O4 NCZ A 130 1.141 9.977 0.088 1.00 0.00 O HETATM 1527 C12 NCZ A 130 1.241 11.435 -0.038 1.00 0.00 C HETATM 1528 C13 NCZ A 130 1.602 12.100 1.295 1.00 0.00 C HETATM 1529 C14 NCZ A 130 0.478 12.527 1.888 1.00 0.00 C HETATM 1530 C15 NCZ A 130 -0.712 12.464 1.003 1.00 0.00 C HETATM 1531 C16 NCZ A 130 -0.143 12.023 -0.360 1.00 0.00 C HETATM 1532 O6 NCZ A 130 -0.054 13.197 -1.213 1.00 0.00 O HETATM 1533 O5 NCZ A 130 2.459 13.219 1.060 1.00 0.00 O HETATM 1534 O2 NCZ A 130 0.660 7.856 -3.678 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -0.838 5.298 1.023 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -0.386 5.745 2.258 1.00 0.00 C HETATM 1537 C2 NCZ A 130 0.441 6.836 2.367 1.00 0.00 C HETATM 1538 O1 NCZ A 130 0.876 7.230 3.623 1.00 0.00 O HETATM 1539 C17 NCZ A 130 1.371 8.542 3.956 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -1.747 4.110 1.020 1.00 0.00 C HETATM 0 H183 NCZ A 130 -2.705 4.386 0.580 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -1.297 3.309 0.434 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -1.902 3.768 2.043 1.00 0.00 H new HETATM 0 H173 NCZ A 130 2.249 8.764 3.350 1.00 0.00 H new HETATM 0 H172 NCZ A 130 0.597 9.284 3.759 1.00 0.00 H new HETATM 0 H171 NCZ A 130 1.642 8.572 5.011 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -0.854 5.755 -3.487 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.586 4.618 -1.419 1.00 0.00 H new HETATM 0 H6 NCZ A 130 -0.954 13.538 -1.395 1.00 0.00 H new HETATM 0 H5 NCZ A 130 2.686 13.642 1.914 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -0.695 5.218 3.161 1.00 0.00 H new HETATM 0 H2 NCZ A 130 1.632 7.814 -3.796 1.00 0.00 H new HETATM 0 H16 NCZ A 130 -0.755 11.288 -0.884 1.00 0.00 H new HETATM 0 H15 NCZ A 130 -1.749 12.680 1.258 1.00 0.00 H new HETATM 0 H14 NCZ A 130 0.442 12.885 2.917 1.00 0.00 H new HETATM 0 H13 NCZ A 130 2.114 11.380 1.933 1.00 0.00 H new HETATM 0 H12 NCZ A 130 1.994 11.618 -0.805 1.00 0.00 H new HETATM 0 H1 NCZ A 130 1.466 8.352 1.291 1.00 0.00 H new