USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 503 hydrogens (0 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 169:sc= 0.697 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= -1.25 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot -131:sc= 1.03 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 20 ASN : amide:sc= -1.2 K(o=-1.2,f=-3.7!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -79:sc= 0.307 USER MOD Single : A 36 ASN :FLIP amide:sc= -1.25 F(o=-2.4!,f=-1.3) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0.00323 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.466 F(o=-1.2,f=-0.47) USER MOD Single : A 59 ASN : amide:sc= -0.974 K(o=-0.97,f=-1.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 16:sc= 0.442 USER MOD Single : A 69 SER OG : rot 30:sc= 0.567 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.527 -24.783 10.055 1.00 0.00 N ATOM 2 CA GLY A 1 2.741 -25.438 9.604 1.00 0.00 C ATOM 3 C GLY A 1 3.780 -24.454 9.105 1.00 0.00 C ATOM 4 O GLY A 1 4.629 -23.996 9.870 1.00 0.00 O ATOM 0 H1 GLY A 1 0.849 -25.499 10.386 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.752 -24.133 10.835 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.108 -24.248 9.268 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.161 -26.021 10.423 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.497 -26.139 8.806 1.00 0.00 H new ATOM 8 N SER A 2 3.715 -24.129 7.817 1.00 0.00 N ATOM 9 CA SER A 2 4.662 -23.197 7.216 1.00 0.00 C ATOM 10 C SER A 2 4.603 -21.839 7.910 1.00 0.00 C ATOM 11 O SER A 2 5.633 -21.260 8.252 1.00 0.00 O ATOM 12 CB SER A 2 4.369 -23.032 5.723 1.00 0.00 C ATOM 13 OG SER A 2 4.550 -24.255 5.030 1.00 0.00 O ATOM 0 H SER A 2 3.017 -24.497 7.171 1.00 0.00 H new ATOM 0 HA SER A 2 5.665 -23.606 7.340 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.346 -22.681 5.586 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.026 -22.271 5.302 1.00 0.00 H new ATOM 0 HG SER A 2 4.355 -24.124 4.079 1.00 0.00 H new ATOM 19 N SER A 3 3.389 -21.338 8.114 1.00 0.00 N ATOM 20 CA SER A 3 3.194 -20.047 8.763 1.00 0.00 C ATOM 21 C SER A 3 3.836 -18.927 7.950 1.00 0.00 C ATOM 22 O SER A 3 4.480 -18.036 8.501 1.00 0.00 O ATOM 23 CB SER A 3 3.782 -20.069 10.175 1.00 0.00 C ATOM 24 OG SER A 3 2.909 -20.722 11.081 1.00 0.00 O ATOM 0 H SER A 3 2.526 -21.807 7.839 1.00 0.00 H new ATOM 0 HA SER A 3 2.122 -19.858 8.826 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.746 -20.578 10.163 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.964 -19.049 10.512 1.00 0.00 H new ATOM 0 HG SER A 3 3.308 -20.724 11.976 1.00 0.00 H new ATOM 30 N GLY A 4 3.656 -18.982 6.634 1.00 0.00 N ATOM 31 CA GLY A 4 4.223 -17.968 5.764 1.00 0.00 C ATOM 32 C GLY A 4 3.282 -16.799 5.546 1.00 0.00 C ATOM 33 O GLY A 4 2.073 -16.923 5.738 1.00 0.00 O ATOM 0 H GLY A 4 3.127 -19.711 6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.156 -17.604 6.195 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.470 -18.416 4.802 1.00 0.00 H new ATOM 37 N SER A 5 3.839 -15.661 5.143 1.00 0.00 N ATOM 38 CA SER A 5 3.042 -14.464 4.903 1.00 0.00 C ATOM 39 C SER A 5 3.297 -13.912 3.504 1.00 0.00 C ATOM 40 O SER A 5 4.444 -13.748 3.089 1.00 0.00 O ATOM 41 CB SER A 5 3.360 -13.395 5.951 1.00 0.00 C ATOM 42 OG SER A 5 2.595 -13.590 7.127 1.00 0.00 O ATOM 0 H SER A 5 4.838 -15.543 4.976 1.00 0.00 H new ATOM 0 HA SER A 5 1.990 -14.737 4.980 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.422 -13.425 6.195 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.155 -12.406 5.540 1.00 0.00 H new ATOM 0 HG SER A 5 2.818 -12.895 7.781 1.00 0.00 H new ATOM 48 N SER A 6 2.219 -13.629 2.781 1.00 0.00 N ATOM 49 CA SER A 6 2.324 -13.100 1.426 1.00 0.00 C ATOM 50 C SER A 6 1.938 -11.624 1.387 1.00 0.00 C ATOM 51 O SER A 6 1.043 -11.186 2.110 1.00 0.00 O ATOM 52 CB SER A 6 1.432 -13.897 0.473 1.00 0.00 C ATOM 53 OG SER A 6 1.553 -13.422 -0.857 1.00 0.00 O ATOM 0 H SER A 6 1.262 -13.757 3.111 1.00 0.00 H new ATOM 0 HA SER A 6 3.361 -13.195 1.106 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.704 -14.952 0.512 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.393 -13.824 0.795 1.00 0.00 H new ATOM 0 HG SER A 6 1.121 -14.052 -1.470 1.00 0.00 H new ATOM 59 N GLY A 7 2.620 -10.862 0.538 1.00 0.00 N ATOM 60 CA GLY A 7 2.334 -9.444 0.420 1.00 0.00 C ATOM 61 C GLY A 7 3.342 -8.720 -0.451 1.00 0.00 C ATOM 62 O GLY A 7 4.292 -9.326 -0.947 1.00 0.00 O ATOM 0 H GLY A 7 3.365 -11.201 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.336 -9.311 0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.327 -8.994 1.413 1.00 0.00 H new ATOM 66 N ASP A 8 3.134 -7.422 -0.639 1.00 0.00 N ATOM 67 CA ASP A 8 4.032 -6.614 -1.457 1.00 0.00 C ATOM 68 C ASP A 8 4.621 -5.466 -0.645 1.00 0.00 C ATOM 69 O ASP A 8 3.899 -4.576 -0.194 1.00 0.00 O ATOM 70 CB ASP A 8 3.290 -6.065 -2.677 1.00 0.00 C ATOM 71 CG ASP A 8 3.189 -7.080 -3.799 1.00 0.00 C ATOM 72 OD1 ASP A 8 4.107 -7.917 -3.926 1.00 0.00 O ATOM 73 OD2 ASP A 8 2.192 -7.038 -4.549 1.00 0.00 O ATOM 0 H ASP A 8 2.352 -6.906 -0.236 1.00 0.00 H new ATOM 0 HA ASP A 8 4.849 -7.252 -1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.288 -5.755 -2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.804 -5.175 -3.041 1.00 0.00 H new ATOM 78 N TYR A 9 5.937 -5.491 -0.463 1.00 0.00 N ATOM 79 CA TYR A 9 6.623 -4.454 0.298 1.00 0.00 C ATOM 80 C TYR A 9 7.008 -3.283 -0.601 1.00 0.00 C ATOM 81 O TYR A 9 7.395 -3.473 -1.755 1.00 0.00 O ATOM 82 CB TYR A 9 7.872 -5.027 0.971 1.00 0.00 C ATOM 83 CG TYR A 9 7.619 -5.559 2.363 1.00 0.00 C ATOM 84 CD1 TYR A 9 6.495 -6.327 2.641 1.00 0.00 C ATOM 85 CD2 TYR A 9 8.505 -5.295 3.400 1.00 0.00 C ATOM 86 CE1 TYR A 9 6.260 -6.815 3.912 1.00 0.00 C ATOM 87 CE2 TYR A 9 8.279 -5.780 4.674 1.00 0.00 C ATOM 88 CZ TYR A 9 7.155 -6.539 4.925 1.00 0.00 C ATOM 89 OH TYR A 9 6.925 -7.024 6.192 1.00 0.00 O ATOM 0 H TYR A 9 6.550 -6.218 -0.832 1.00 0.00 H new ATOM 0 HA TYR A 9 5.940 -4.090 1.065 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.273 -5.830 0.352 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.636 -4.251 1.021 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.793 -6.546 1.850 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.386 -4.700 3.207 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.381 -7.409 4.111 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.978 -5.566 5.469 1.00 0.00 H new ATOM 0 HH TYR A 9 7.650 -6.741 6.787 1.00 0.00 H new ATOM 99 N CYS A 10 6.900 -2.073 -0.065 1.00 0.00 N ATOM 100 CA CYS A 10 7.236 -0.870 -0.818 1.00 0.00 C ATOM 101 C CYS A 10 7.986 0.128 0.059 1.00 0.00 C ATOM 102 O CYS A 10 7.520 0.497 1.137 1.00 0.00 O ATOM 103 CB CYS A 10 5.969 -0.223 -1.378 1.00 0.00 C ATOM 104 SG CYS A 10 4.934 -1.344 -2.348 1.00 0.00 S ATOM 0 H CYS A 10 6.582 -1.899 0.888 1.00 0.00 H new ATOM 0 HA CYS A 10 7.884 -1.158 -1.646 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.380 0.173 -0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.252 0.624 -2.002 1.00 0.00 H new ATOM 0 HG CYS A 10 3.886 -0.705 -2.777 1.00 0.00 H new ATOM 110 N LYS A 11 9.152 0.560 -0.410 1.00 0.00 N ATOM 111 CA LYS A 11 9.968 1.515 0.330 1.00 0.00 C ATOM 112 C LYS A 11 9.573 2.948 -0.011 1.00 0.00 C ATOM 113 O LYS A 11 9.468 3.312 -1.183 1.00 0.00 O ATOM 114 CB LYS A 11 11.451 1.296 0.021 1.00 0.00 C ATOM 115 CG LYS A 11 12.375 2.237 0.775 1.00 0.00 C ATOM 116 CD LYS A 11 13.750 1.624 0.978 1.00 0.00 C ATOM 117 CE LYS A 11 14.807 2.692 1.216 1.00 0.00 C ATOM 118 NZ LYS A 11 14.583 3.418 2.497 1.00 0.00 N ATOM 0 H LYS A 11 9.553 0.264 -1.300 1.00 0.00 H new ATOM 0 HA LYS A 11 9.797 1.354 1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.716 0.267 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.613 1.422 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.471 3.173 0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.937 2.480 1.743 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.723 0.941 1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.019 1.033 0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.794 2.230 1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.798 3.403 0.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.324 4.137 2.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.652 3.880 2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.617 2.744 3.288 1.00 0.00 H new ATOM 132 N VAL A 12 9.356 3.759 1.020 1.00 0.00 N ATOM 133 CA VAL A 12 8.975 5.153 0.829 1.00 0.00 C ATOM 134 C VAL A 12 10.197 6.026 0.566 1.00 0.00 C ATOM 135 O VAL A 12 11.028 6.231 1.452 1.00 0.00 O ATOM 136 CB VAL A 12 8.220 5.701 2.055 1.00 0.00 C ATOM 137 CG1 VAL A 12 7.848 7.161 1.844 1.00 0.00 C ATOM 138 CG2 VAL A 12 6.983 4.863 2.337 1.00 0.00 C ATOM 0 H VAL A 12 9.438 3.474 1.996 1.00 0.00 H new ATOM 0 HA VAL A 12 8.316 5.185 -0.039 1.00 0.00 H new ATOM 0 HB VAL A 12 8.878 5.640 2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.315 7.531 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.753 7.749 1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.208 7.250 0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.462 5.264 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.320 4.890 1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.279 3.833 2.535 1.00 0.00 H new ATOM 148 N ILE A 13 10.300 6.538 -0.656 1.00 0.00 N ATOM 149 CA ILE A 13 11.420 7.390 -1.035 1.00 0.00 C ATOM 150 C ILE A 13 11.030 8.863 -0.988 1.00 0.00 C ATOM 151 O ILE A 13 11.871 9.732 -0.759 1.00 0.00 O ATOM 152 CB ILE A 13 11.933 7.051 -2.447 1.00 0.00 C ATOM 153 CG1 ILE A 13 10.810 7.211 -3.473 1.00 0.00 C ATOM 154 CG2 ILE A 13 12.492 5.637 -2.481 1.00 0.00 C ATOM 155 CD1 ILE A 13 10.047 5.932 -3.738 1.00 0.00 C ATOM 0 H ILE A 13 9.621 6.377 -1.400 1.00 0.00 H new ATOM 0 HA ILE A 13 12.216 7.204 -0.314 1.00 0.00 H new ATOM 0 HB ILE A 13 12.734 7.744 -2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.114 7.973 -3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.234 7.573 -4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 13 12.851 5.412 -3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.317 5.555 -1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.709 4.930 -2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.266 6.120 -4.475 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.730 5.173 -4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.594 5.580 -2.811 1.00 0.00 H new ATOM 167 N PHE A 14 9.748 9.137 -1.204 1.00 0.00 N ATOM 168 CA PHE A 14 9.245 10.506 -1.186 1.00 0.00 C ATOM 169 C PHE A 14 8.331 10.734 0.015 1.00 0.00 C ATOM 170 O PHE A 14 7.370 9.999 0.244 1.00 0.00 O ATOM 171 CB PHE A 14 8.490 10.812 -2.481 1.00 0.00 C ATOM 172 CG PHE A 14 9.365 11.367 -3.568 1.00 0.00 C ATOM 173 CD1 PHE A 14 9.704 12.710 -3.585 1.00 0.00 C ATOM 174 CD2 PHE A 14 9.847 10.546 -4.575 1.00 0.00 C ATOM 175 CE1 PHE A 14 10.510 13.224 -4.583 1.00 0.00 C ATOM 176 CE2 PHE A 14 10.653 11.054 -5.576 1.00 0.00 C ATOM 177 CZ PHE A 14 10.983 12.395 -5.581 1.00 0.00 C ATOM 0 H PHE A 14 9.038 8.429 -1.394 1.00 0.00 H new ATOM 0 HA PHE A 14 10.099 11.179 -1.104 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.014 9.899 -2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.693 11.524 -2.268 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.334 13.363 -2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 14 9.590 9.497 -4.578 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.770 14.272 -4.582 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.024 10.403 -6.354 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.610 12.795 -6.364 1.00 0.00 H new ATOM 187 N PRO A 15 8.637 11.776 0.801 1.00 0.00 N ATOM 188 CA PRO A 15 7.857 12.126 1.992 1.00 0.00 C ATOM 189 C PRO A 15 6.477 12.671 1.641 1.00 0.00 C ATOM 190 O PRO A 15 6.355 13.681 0.947 1.00 0.00 O ATOM 191 CB PRO A 15 8.703 13.209 2.665 1.00 0.00 C ATOM 192 CG PRO A 15 9.499 13.811 1.559 1.00 0.00 C ATOM 193 CD PRO A 15 9.769 12.695 0.588 1.00 0.00 C ATOM 0 HA PRO A 15 7.668 11.259 2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.076 13.955 3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.350 12.785 3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.950 14.621 1.079 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.430 14.235 1.935 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.805 13.056 -0.440 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.724 12.210 0.789 1.00 0.00 H new ATOM 201 N TYR A 16 5.439 11.996 2.124 1.00 0.00 N ATOM 202 CA TYR A 16 4.067 12.412 1.860 1.00 0.00 C ATOM 203 C TYR A 16 3.309 12.649 3.162 1.00 0.00 C ATOM 204 O TYR A 16 3.498 11.929 4.142 1.00 0.00 O ATOM 205 CB TYR A 16 3.345 11.357 1.020 1.00 0.00 C ATOM 206 CG TYR A 16 1.950 11.765 0.604 1.00 0.00 C ATOM 207 CD1 TYR A 16 1.748 12.628 -0.466 1.00 0.00 C ATOM 208 CD2 TYR A 16 0.834 11.287 1.280 1.00 0.00 C ATOM 209 CE1 TYR A 16 0.475 13.004 -0.850 1.00 0.00 C ATOM 210 CE2 TYR A 16 -0.442 11.657 0.902 1.00 0.00 C ATOM 211 CZ TYR A 16 -0.616 12.516 -0.163 1.00 0.00 C ATOM 212 OH TYR A 16 -1.886 12.887 -0.542 1.00 0.00 O ATOM 0 H TYR A 16 5.522 11.159 2.700 1.00 0.00 H new ATOM 0 HA TYR A 16 4.099 13.349 1.305 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.935 11.149 0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.289 10.428 1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.601 13.011 -1.007 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.967 10.615 2.115 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.336 13.676 -1.684 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.299 11.276 1.438 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.393 13.172 0.247 1.00 0.00 H new ATOM 222 N GLU A 17 2.449 13.663 3.163 1.00 0.00 N ATOM 223 CA GLU A 17 1.661 13.995 4.344 1.00 0.00 C ATOM 224 C GLU A 17 0.171 13.815 4.073 1.00 0.00 C ATOM 225 O GLU A 17 -0.411 14.522 3.250 1.00 0.00 O ATOM 226 CB GLU A 17 1.942 15.434 4.783 1.00 0.00 C ATOM 227 CG GLU A 17 3.360 15.653 5.282 1.00 0.00 C ATOM 228 CD GLU A 17 3.610 17.083 5.721 1.00 0.00 C ATOM 229 OE1 GLU A 17 3.262 18.008 4.958 1.00 0.00 O ATOM 230 OE2 GLU A 17 4.153 17.276 6.829 1.00 0.00 O ATOM 0 H GLU A 17 2.281 14.268 2.360 1.00 0.00 H new ATOM 0 HA GLU A 17 1.950 13.315 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.754 16.104 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.242 15.707 5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.555 14.981 6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.064 15.391 4.492 1.00 0.00 H new ATOM 237 N ALA A 18 -0.442 12.864 4.771 1.00 0.00 N ATOM 238 CA ALA A 18 -1.864 12.592 4.607 1.00 0.00 C ATOM 239 C ALA A 18 -2.695 13.847 4.854 1.00 0.00 C ATOM 240 O ALA A 18 -2.470 14.570 5.824 1.00 0.00 O ATOM 241 CB ALA A 18 -2.299 11.475 5.544 1.00 0.00 C ATOM 0 H ALA A 18 0.025 12.269 5.456 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.032 12.274 3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.364 11.282 5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.735 10.570 5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.110 11.771 6.576 1.00 0.00 H new ATOM 247 N GLN A 19 -3.655 14.098 3.970 1.00 0.00 N ATOM 248 CA GLN A 19 -4.519 15.267 4.093 1.00 0.00 C ATOM 249 C GLN A 19 -5.735 14.957 4.958 1.00 0.00 C ATOM 250 O GLN A 19 -6.162 15.782 5.765 1.00 0.00 O ATOM 251 CB GLN A 19 -4.969 15.742 2.710 1.00 0.00 C ATOM 252 CG GLN A 19 -5.986 16.872 2.756 1.00 0.00 C ATOM 253 CD GLN A 19 -5.972 17.721 1.501 1.00 0.00 C ATOM 254 OE1 GLN A 19 -5.649 17.238 0.415 1.00 0.00 O ATOM 255 NE2 GLN A 19 -6.322 18.994 1.643 1.00 0.00 N ATOM 0 H GLN A 19 -3.854 13.509 3.162 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.948 16.061 4.574 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.096 16.072 2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.398 14.900 2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.983 16.453 2.896 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.782 17.504 3.620 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.582 19.352 2.562 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.330 19.614 0.833 1.00 0.00 H new ATOM 264 N ASN A 20 -6.289 13.761 4.785 1.00 0.00 N ATOM 265 CA ASN A 20 -7.458 13.342 5.550 1.00 0.00 C ATOM 266 C ASN A 20 -7.232 11.972 6.182 1.00 0.00 C ATOM 267 O ASN A 20 -6.415 11.184 5.705 1.00 0.00 O ATOM 268 CB ASN A 20 -8.695 13.304 4.651 1.00 0.00 C ATOM 269 CG ASN A 20 -8.369 12.862 3.237 1.00 0.00 C ATOM 270 OD1 ASN A 20 -8.083 11.690 2.991 1.00 0.00 O ATOM 271 ND2 ASN A 20 -8.410 13.802 2.300 1.00 0.00 N ATOM 0 H ASN A 20 -5.947 13.065 4.122 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.619 14.068 6.347 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -9.432 12.625 5.080 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -9.151 14.294 4.623 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.199 13.565 1.330 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.652 14.761 2.550 1.00 0.00 H new ATOM 278 N ASP A 21 -7.962 11.694 7.256 1.00 0.00 N ATOM 279 CA ASP A 21 -7.843 10.418 7.952 1.00 0.00 C ATOM 280 C ASP A 21 -7.684 9.270 6.960 1.00 0.00 C ATOM 281 O ASP A 21 -6.939 8.322 7.208 1.00 0.00 O ATOM 282 CB ASP A 21 -9.069 10.179 8.836 1.00 0.00 C ATOM 283 CG ASP A 21 -9.315 11.319 9.804 1.00 0.00 C ATOM 284 OD1 ASP A 21 -8.400 11.637 10.592 1.00 0.00 O ATOM 285 OD2 ASP A 21 -10.424 11.893 9.775 1.00 0.00 O ATOM 0 H ASP A 21 -8.643 12.335 7.664 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.953 10.457 8.580 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.948 10.046 8.205 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.935 9.253 9.396 1.00 0.00 H new ATOM 290 N ASP A 22 -8.389 9.363 5.839 1.00 0.00 N ATOM 291 CA ASP A 22 -8.327 8.332 4.809 1.00 0.00 C ATOM 292 C ASP A 22 -6.888 8.104 4.356 1.00 0.00 C ATOM 293 O ASP A 22 -6.416 6.968 4.309 1.00 0.00 O ATOM 294 CB ASP A 22 -9.195 8.723 3.612 1.00 0.00 C ATOM 295 CG ASP A 22 -10.467 9.435 4.028 1.00 0.00 C ATOM 296 OD1 ASP A 22 -11.083 9.012 5.029 1.00 0.00 O ATOM 297 OD2 ASP A 22 -10.847 10.415 3.353 1.00 0.00 O ATOM 0 H ASP A 22 -9.010 10.142 5.620 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.707 7.404 5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.622 9.368 2.946 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.452 7.828 3.045 1.00 0.00 H new ATOM 302 N GLU A 23 -6.198 9.190 4.022 1.00 0.00 N ATOM 303 CA GLU A 23 -4.814 9.107 3.571 1.00 0.00 C ATOM 304 C GLU A 23 -3.898 8.658 4.706 1.00 0.00 C ATOM 305 O GLU A 23 -4.200 8.865 5.882 1.00 0.00 O ATOM 306 CB GLU A 23 -4.348 10.460 3.030 1.00 0.00 C ATOM 307 CG GLU A 23 -5.120 10.924 1.806 1.00 0.00 C ATOM 308 CD GLU A 23 -4.298 11.826 0.906 1.00 0.00 C ATOM 309 OE1 GLU A 23 -3.508 12.635 1.436 1.00 0.00 O ATOM 310 OE2 GLU A 23 -4.445 11.722 -0.330 1.00 0.00 O ATOM 0 H GLU A 23 -6.575 10.137 4.055 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.763 8.368 2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.445 11.209 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.289 10.396 2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.451 10.054 1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.016 11.455 2.126 1.00 0.00 H new ATOM 317 N LEU A 24 -2.778 8.041 4.345 1.00 0.00 N ATOM 318 CA LEU A 24 -1.817 7.561 5.332 1.00 0.00 C ATOM 319 C LEU A 24 -0.553 8.415 5.321 1.00 0.00 C ATOM 320 O LEU A 24 -0.177 8.974 4.291 1.00 0.00 O ATOM 321 CB LEU A 24 -1.460 6.099 5.058 1.00 0.00 C ATOM 322 CG LEU A 24 -0.292 5.530 5.864 1.00 0.00 C ATOM 323 CD1 LEU A 24 -0.773 5.018 7.212 1.00 0.00 C ATOM 324 CD2 LEU A 24 0.402 4.421 5.087 1.00 0.00 C ATOM 0 H LEU A 24 -2.513 7.861 3.376 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.277 7.637 6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.341 5.488 5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.228 5.995 3.998 1.00 0.00 H new ATOM 0 HG LEU A 24 0.428 6.330 6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.072 4.617 7.771 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.223 5.837 7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.513 4.232 7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.231 4.028 5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.309 3.621 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.782 4.819 4.146 1.00 0.00 H new ATOM 336 N THR A 25 0.101 8.510 6.475 1.00 0.00 N ATOM 337 CA THR A 25 1.323 9.295 6.598 1.00 0.00 C ATOM 338 C THR A 25 2.557 8.430 6.368 1.00 0.00 C ATOM 339 O THR A 25 2.697 7.361 6.962 1.00 0.00 O ATOM 340 CB THR A 25 1.427 9.959 7.984 1.00 0.00 C ATOM 341 OG1 THR A 25 0.327 10.854 8.182 1.00 0.00 O ATOM 342 CG2 THR A 25 2.737 10.719 8.123 1.00 0.00 C ATOM 0 H THR A 25 -0.195 8.053 7.337 1.00 0.00 H new ATOM 0 HA THR A 25 1.279 10.071 5.834 1.00 0.00 H new ATOM 0 HB THR A 25 1.398 9.175 8.741 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.399 11.271 9.066 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.788 11.179 9.110 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.572 10.030 8.001 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.791 11.494 7.358 1.00 0.00 H new ATOM 350 N ILE A 26 3.450 8.900 5.504 1.00 0.00 N ATOM 351 CA ILE A 26 4.674 8.169 5.197 1.00 0.00 C ATOM 352 C ILE A 26 5.864 9.115 5.078 1.00 0.00 C ATOM 353 O ILE A 26 5.746 10.213 4.533 1.00 0.00 O ATOM 354 CB ILE A 26 4.537 7.366 3.890 1.00 0.00 C ATOM 355 CG1 ILE A 26 4.353 8.312 2.701 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.372 6.393 3.985 1.00 0.00 C ATOM 357 CD1 ILE A 26 4.342 7.607 1.364 1.00 0.00 C ATOM 0 H ILE A 26 3.349 9.783 5.004 1.00 0.00 H new ATOM 0 HA ILE A 26 4.844 7.477 6.022 1.00 0.00 H new ATOM 0 HB ILE A 26 5.451 6.793 3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.417 8.857 2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.155 9.050 2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.289 5.833 3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.542 5.701 4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.449 6.946 4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.208 8.339 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.288 7.084 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.523 6.889 1.338 1.00 0.00 H new ATOM 369 N LYS A 27 7.011 8.682 5.590 1.00 0.00 N ATOM 370 CA LYS A 27 8.225 9.488 5.539 1.00 0.00 C ATOM 371 C LYS A 27 9.360 8.719 4.871 1.00 0.00 C ATOM 372 O LYS A 27 9.428 7.494 4.960 1.00 0.00 O ATOM 373 CB LYS A 27 8.641 9.909 6.950 1.00 0.00 C ATOM 374 CG LYS A 27 8.734 8.751 7.928 1.00 0.00 C ATOM 375 CD LYS A 27 7.410 8.511 8.635 1.00 0.00 C ATOM 376 CE LYS A 27 7.309 7.087 9.161 1.00 0.00 C ATOM 377 NZ LYS A 27 7.959 6.940 10.492 1.00 0.00 N ATOM 0 H LYS A 27 7.125 7.777 6.045 1.00 0.00 H new ATOM 0 HA LYS A 27 8.016 10.379 4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.608 10.410 6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.924 10.637 7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.033 7.848 7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.509 8.958 8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.305 9.214 9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.588 8.705 7.946 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.260 6.801 9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.776 6.404 8.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.869 5.956 10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.966 7.188 10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.497 7.573 11.176 1.00 0.00 H new ATOM 391 N GLU A 28 10.249 9.448 4.203 1.00 0.00 N ATOM 392 CA GLU A 28 11.382 8.833 3.520 1.00 0.00 C ATOM 393 C GLU A 28 12.190 7.965 4.481 1.00 0.00 C ATOM 394 O GLU A 28 12.793 8.465 5.429 1.00 0.00 O ATOM 395 CB GLU A 28 12.281 9.908 2.907 1.00 0.00 C ATOM 396 CG GLU A 28 13.417 9.346 2.069 1.00 0.00 C ATOM 397 CD GLU A 28 14.615 10.274 2.012 1.00 0.00 C ATOM 398 OE1 GLU A 28 14.425 11.497 2.177 1.00 0.00 O ATOM 399 OE2 GLU A 28 15.741 9.777 1.803 1.00 0.00 O ATOM 0 H GLU A 28 10.207 10.464 4.120 1.00 0.00 H new ATOM 0 HA GLU A 28 10.993 8.198 2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.674 10.567 2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.699 10.520 3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.726 8.385 2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.059 9.159 1.057 1.00 0.00 H new ATOM 406 N GLY A 29 12.196 6.659 4.227 1.00 0.00 N ATOM 407 CA GLY A 29 12.931 5.742 5.078 1.00 0.00 C ATOM 408 C GLY A 29 12.019 4.818 5.860 1.00 0.00 C ATOM 409 O GLY A 29 12.271 4.531 7.030 1.00 0.00 O ATOM 0 H GLY A 29 11.705 6.221 3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.608 5.146 4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.548 6.312 5.773 1.00 0.00 H new ATOM 413 N ASP A 30 10.956 4.353 5.213 1.00 0.00 N ATOM 414 CA ASP A 30 10.002 3.456 5.856 1.00 0.00 C ATOM 415 C ASP A 30 9.299 2.581 4.823 1.00 0.00 C ATOM 416 O ASP A 30 8.798 3.076 3.813 1.00 0.00 O ATOM 417 CB ASP A 30 8.971 4.259 6.650 1.00 0.00 C ATOM 418 CG ASP A 30 9.553 4.856 7.917 1.00 0.00 C ATOM 419 OD1 ASP A 30 10.190 5.926 7.830 1.00 0.00 O ATOM 420 OD2 ASP A 30 9.371 4.252 8.995 1.00 0.00 O ATOM 0 H ASP A 30 10.733 4.582 4.244 1.00 0.00 H new ATOM 0 HA ASP A 30 10.552 2.809 6.540 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.576 5.059 6.023 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.132 3.613 6.908 1.00 0.00 H new ATOM 425 N ILE A 31 9.265 1.279 5.084 1.00 0.00 N ATOM 426 CA ILE A 31 8.622 0.335 4.177 1.00 0.00 C ATOM 427 C ILE A 31 7.180 0.067 4.594 1.00 0.00 C ATOM 428 O ILE A 31 6.912 -0.313 5.734 1.00 0.00 O ATOM 429 CB ILE A 31 9.386 -1.001 4.122 1.00 0.00 C ATOM 430 CG1 ILE A 31 10.768 -0.799 3.498 1.00 0.00 C ATOM 431 CG2 ILE A 31 8.590 -2.034 3.337 1.00 0.00 C ATOM 432 CD1 ILE A 31 11.822 -0.365 4.492 1.00 0.00 C ATOM 0 H ILE A 31 9.675 0.853 5.915 1.00 0.00 H new ATOM 0 HA ILE A 31 8.632 0.791 3.187 1.00 0.00 H new ATOM 0 HB ILE A 31 9.518 -1.369 5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.085 -1.730 3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.695 -0.051 2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.143 -2.973 3.307 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.627 -2.195 3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.430 -1.674 2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.776 -0.241 3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.527 0.582 4.945 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.923 -1.123 5.269 1.00 0.00 H new ATOM 444 N VAL A 32 6.254 0.266 3.662 1.00 0.00 N ATOM 445 CA VAL A 32 4.838 0.043 3.931 1.00 0.00 C ATOM 446 C VAL A 32 4.345 -1.232 3.256 1.00 0.00 C ATOM 447 O VAL A 32 4.516 -1.416 2.050 1.00 0.00 O ATOM 448 CB VAL A 32 3.982 1.230 3.451 1.00 0.00 C ATOM 449 CG1 VAL A 32 2.505 0.951 3.683 1.00 0.00 C ATOM 450 CG2 VAL A 32 4.408 2.511 4.151 1.00 0.00 C ATOM 0 H VAL A 32 6.459 0.581 2.714 1.00 0.00 H new ATOM 0 HA VAL A 32 4.732 -0.057 5.011 1.00 0.00 H new ATOM 0 HB VAL A 32 4.139 1.359 2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.916 1.800 3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.212 0.058 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.327 0.794 4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.793 3.339 3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.282 2.396 5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.455 2.717 3.928 1.00 0.00 H new ATOM 460 N THR A 33 3.730 -2.111 4.041 1.00 0.00 N ATOM 461 CA THR A 33 3.212 -3.369 3.520 1.00 0.00 C ATOM 462 C THR A 33 1.940 -3.147 2.710 1.00 0.00 C ATOM 463 O THR A 33 0.931 -2.675 3.236 1.00 0.00 O ATOM 464 CB THR A 33 2.915 -4.368 4.655 1.00 0.00 C ATOM 465 OG1 THR A 33 4.101 -4.602 5.423 1.00 0.00 O ATOM 466 CG2 THR A 33 2.399 -5.685 4.096 1.00 0.00 C ATOM 0 H THR A 33 3.579 -1.974 5.040 1.00 0.00 H new ATOM 0 HA THR A 33 3.985 -3.784 2.873 1.00 0.00 H new ATOM 0 HB THR A 33 2.146 -3.938 5.296 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.678 -5.236 4.948 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.196 -6.374 4.916 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.481 -5.508 3.536 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.149 -6.119 3.435 1.00 0.00 H new ATOM 474 N LEU A 34 1.993 -3.490 1.428 1.00 0.00 N ATOM 475 CA LEU A 34 0.844 -3.328 0.544 1.00 0.00 C ATOM 476 C LEU A 34 -0.288 -4.269 0.944 1.00 0.00 C ATOM 477 O LEU A 34 -0.167 -5.489 0.821 1.00 0.00 O ATOM 478 CB LEU A 34 1.251 -3.589 -0.907 1.00 0.00 C ATOM 479 CG LEU A 34 0.449 -2.843 -1.974 1.00 0.00 C ATOM 480 CD1 LEU A 34 0.717 -1.348 -1.894 1.00 0.00 C ATOM 481 CD2 LEU A 34 0.783 -3.373 -3.361 1.00 0.00 C ATOM 0 H LEU A 34 2.820 -3.882 0.977 1.00 0.00 H new ATOM 0 HA LEU A 34 0.488 -2.302 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.303 -3.326 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.167 -4.659 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.612 -3.012 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.138 -0.833 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.427 -0.978 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.779 -1.160 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.203 -2.830 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.846 -3.235 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.539 -4.434 -3.413 1.00 0.00 H new ATOM 493 N ILE A 35 -1.387 -3.695 1.421 1.00 0.00 N ATOM 494 CA ILE A 35 -2.541 -4.483 1.836 1.00 0.00 C ATOM 495 C ILE A 35 -3.370 -4.919 0.633 1.00 0.00 C ATOM 496 O ILE A 35 -3.540 -6.112 0.383 1.00 0.00 O ATOM 497 CB ILE A 35 -3.440 -3.696 2.807 1.00 0.00 C ATOM 498 CG1 ILE A 35 -2.674 -3.360 4.088 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.697 -4.491 3.128 1.00 0.00 C ATOM 500 CD1 ILE A 35 -2.322 -4.575 4.918 1.00 0.00 C ATOM 0 H ILE A 35 -1.503 -2.687 1.530 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.154 -5.365 2.346 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.736 -2.763 2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.758 -2.831 3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.273 -2.679 4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.322 -3.921 3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.250 -4.683 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.420 -5.439 3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.780 -4.262 5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.235 -5.093 5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.696 -5.248 4.331 1.00 0.00 H new ATOM 512 N ASN A 36 -3.883 -3.944 -0.110 1.00 0.00 N ATOM 513 CA ASN A 36 -4.694 -4.226 -1.289 1.00 0.00 C ATOM 514 C ASN A 36 -4.321 -3.299 -2.441 1.00 0.00 C ATOM 515 O ASN A 36 -3.952 -2.143 -2.228 1.00 0.00 O ATOM 516 CB ASN A 36 -6.180 -4.076 -0.959 1.00 0.00 C ATOM 517 CG ASN A 36 -6.706 -5.227 -0.124 1.00 0.00 C ATOM 518 OD1 ASN A 36 -7.122 -4.928 1.101 1.00 0.00 O flip ATOM 519 ND2 ASN A 36 -6.739 -6.372 -0.575 1.00 0.00 N flip ATOM 0 H ASN A 36 -3.752 -2.951 0.083 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.499 -5.253 -1.596 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.338 -3.140 -0.423 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.751 -4.013 -1.886 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.409 -6.557 -1.522 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.096 -7.136 -0.001 1.00 0.00 H new ATOM 526 N LYS A 37 -4.419 -3.812 -3.663 1.00 0.00 N ATOM 527 CA LYS A 37 -4.095 -3.031 -4.850 1.00 0.00 C ATOM 528 C LYS A 37 -5.196 -2.019 -5.154 1.00 0.00 C ATOM 529 O LYS A 37 -6.297 -2.106 -4.611 1.00 0.00 O ATOM 530 CB LYS A 37 -3.890 -3.954 -6.053 1.00 0.00 C ATOM 531 CG LYS A 37 -2.644 -4.817 -5.953 1.00 0.00 C ATOM 532 CD LYS A 37 -2.206 -5.325 -7.316 1.00 0.00 C ATOM 533 CE LYS A 37 -0.883 -6.071 -7.234 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.736 -7.063 -8.335 1.00 0.00 N ATOM 0 H LYS A 37 -4.721 -4.767 -3.857 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.170 -2.488 -4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.762 -4.600 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.831 -3.350 -6.958 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.836 -4.240 -5.502 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.838 -5.663 -5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.972 -5.985 -7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.110 -4.486 -8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.060 -5.357 -7.276 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.813 -6.582 -6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.178 -7.550 -8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.506 -7.759 -8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.777 -6.573 -9.251 1.00 0.00 H new ATOM 548 N ASP A 38 -4.891 -1.063 -6.024 1.00 0.00 N ATOM 549 CA ASP A 38 -5.855 -0.037 -6.402 1.00 0.00 C ATOM 550 C ASP A 38 -6.532 -0.387 -7.724 1.00 0.00 C ATOM 551 O ASP A 38 -6.038 -1.222 -8.483 1.00 0.00 O ATOM 552 CB ASP A 38 -5.167 1.324 -6.512 1.00 0.00 C ATOM 553 CG ASP A 38 -6.092 2.399 -7.050 1.00 0.00 C ATOM 554 OD1 ASP A 38 -7.239 2.491 -6.565 1.00 0.00 O ATOM 555 OD2 ASP A 38 -5.668 3.147 -7.955 1.00 0.00 O ATOM 0 H ASP A 38 -3.983 -0.977 -6.481 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.618 0.012 -5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.800 1.623 -5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.298 1.237 -7.164 1.00 0.00 H new ATOM 560 N CYS A 39 -7.664 0.254 -7.991 1.00 0.00 N ATOM 561 CA CYS A 39 -8.409 0.009 -9.221 1.00 0.00 C ATOM 562 C CYS A 39 -7.504 0.140 -10.441 1.00 0.00 C ATOM 563 O CYS A 39 -6.417 0.714 -10.361 1.00 0.00 O ATOM 564 CB CYS A 39 -9.582 0.984 -9.333 1.00 0.00 C ATOM 565 SG CYS A 39 -10.778 0.860 -7.983 1.00 0.00 S ATOM 0 H CYS A 39 -8.086 0.947 -7.373 1.00 0.00 H new ATOM 0 HA CYS A 39 -8.795 -1.010 -9.186 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.193 2.002 -9.366 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.097 0.809 -10.277 1.00 0.00 H new ATOM 0 HG CYS A 39 -11.730 1.726 -8.166 1.00 0.00 H new ATOM 571 N ILE A 40 -7.959 -0.395 -11.569 1.00 0.00 N ATOM 572 CA ILE A 40 -7.189 -0.338 -12.805 1.00 0.00 C ATOM 573 C ILE A 40 -6.355 0.936 -12.876 1.00 0.00 C ATOM 574 O ILE A 40 -5.255 0.941 -13.428 1.00 0.00 O ATOM 575 CB ILE A 40 -8.105 -0.408 -14.042 1.00 0.00 C ATOM 576 CG1 ILE A 40 -8.912 -1.708 -14.033 1.00 0.00 C ATOM 577 CG2 ILE A 40 -7.282 -0.298 -15.317 1.00 0.00 C ATOM 578 CD1 ILE A 40 -10.072 -1.706 -15.003 1.00 0.00 C ATOM 0 H ILE A 40 -8.856 -0.873 -11.652 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.526 -1.203 -12.804 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.801 0.430 -14.008 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -8.249 -2.539 -14.274 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.291 -1.884 -13.026 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.943 -0.349 -16.182 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.748 0.652 -15.324 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.565 -1.118 -15.359 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -10.599 -2.658 -14.942 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -10.756 -0.896 -14.750 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -9.698 -1.562 -16.017 1.00 0.00 H new ATOM 590 N ASP A 41 -6.886 2.015 -12.311 1.00 0.00 N ATOM 591 CA ASP A 41 -6.189 3.297 -12.307 1.00 0.00 C ATOM 592 C ASP A 41 -4.949 3.238 -11.421 1.00 0.00 C ATOM 593 O ASP A 41 -5.031 2.895 -10.241 1.00 0.00 O ATOM 594 CB ASP A 41 -7.123 4.408 -11.824 1.00 0.00 C ATOM 595 CG ASP A 41 -8.307 4.611 -12.750 1.00 0.00 C ATOM 596 OD1 ASP A 41 -8.102 5.120 -13.872 1.00 0.00 O ATOM 597 OD2 ASP A 41 -9.438 4.263 -12.352 1.00 0.00 O ATOM 0 H ASP A 41 -7.796 2.028 -11.850 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.875 3.515 -13.328 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.484 4.166 -10.824 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.564 5.340 -11.744 1.00 0.00 H new ATOM 602 N VAL A 42 -3.799 3.574 -11.997 1.00 0.00 N ATOM 603 CA VAL A 42 -2.541 3.560 -11.260 1.00 0.00 C ATOM 604 C VAL A 42 -2.295 4.895 -10.567 1.00 0.00 C ATOM 605 O VAL A 42 -2.800 5.931 -10.996 1.00 0.00 O ATOM 606 CB VAL A 42 -1.351 3.248 -12.187 1.00 0.00 C ATOM 607 CG1 VAL A 42 -0.047 3.258 -11.404 1.00 0.00 C ATOM 608 CG2 VAL A 42 -1.555 1.911 -12.883 1.00 0.00 C ATOM 0 H VAL A 42 -3.713 3.859 -12.972 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.623 2.774 -10.509 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.294 4.024 -12.950 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.782 3.036 -12.075 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.102 4.241 -10.957 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.089 2.505 -10.617 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.705 1.706 -13.534 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.639 1.121 -12.136 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.468 1.946 -13.478 1.00 0.00 H new ATOM 618 N GLY A 43 -1.514 4.862 -9.491 1.00 0.00 N ATOM 619 CA GLY A 43 -1.214 6.076 -8.756 1.00 0.00 C ATOM 620 C GLY A 43 -1.692 6.017 -7.318 1.00 0.00 C ATOM 621 O GLY A 43 -1.237 6.787 -6.473 1.00 0.00 O ATOM 0 H GLY A 43 -1.084 4.016 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.138 6.250 -8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.681 6.925 -9.256 1.00 0.00 H new ATOM 625 N TRP A 44 -2.614 5.102 -7.041 1.00 0.00 N ATOM 626 CA TRP A 44 -3.156 4.946 -5.696 1.00 0.00 C ATOM 627 C TRP A 44 -2.909 3.537 -5.169 1.00 0.00 C ATOM 628 O TRP A 44 -2.912 2.571 -5.932 1.00 0.00 O ATOM 629 CB TRP A 44 -4.655 5.252 -5.690 1.00 0.00 C ATOM 630 CG TRP A 44 -4.988 6.605 -6.240 1.00 0.00 C ATOM 631 CD1 TRP A 44 -5.452 6.889 -7.493 1.00 0.00 C ATOM 632 CD2 TRP A 44 -4.880 7.858 -5.556 1.00 0.00 C ATOM 633 NE1 TRP A 44 -5.639 8.244 -7.629 1.00 0.00 N ATOM 634 CE2 TRP A 44 -5.297 8.860 -6.455 1.00 0.00 C ATOM 635 CE3 TRP A 44 -4.475 8.232 -4.272 1.00 0.00 C ATOM 636 CZ2 TRP A 44 -5.317 10.209 -6.108 1.00 0.00 C ATOM 637 CZ3 TRP A 44 -4.496 9.570 -3.930 1.00 0.00 C ATOM 638 CH2 TRP A 44 -4.915 10.546 -4.844 1.00 0.00 C ATOM 0 H TRP A 44 -3.002 4.457 -7.730 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.646 5.652 -5.041 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.176 4.493 -6.273 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.029 5.181 -4.669 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.644 6.157 -8.263 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.978 8.714 -8.468 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.151 7.488 -3.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.638 10.962 -6.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.184 9.869 -2.940 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.921 11.584 -4.545 1.00 0.00 H new ATOM 649 N TRP A 45 -2.698 3.427 -3.863 1.00 0.00 N ATOM 650 CA TRP A 45 -2.450 2.134 -3.235 1.00 0.00 C ATOM 651 C TRP A 45 -2.687 2.205 -1.731 1.00 0.00 C ATOM 652 O TRP A 45 -2.537 3.262 -1.120 1.00 0.00 O ATOM 653 CB TRP A 45 -1.019 1.673 -3.517 1.00 0.00 C ATOM 654 CG TRP A 45 -0.868 0.974 -4.835 1.00 0.00 C ATOM 655 CD1 TRP A 45 -1.854 0.359 -5.553 1.00 0.00 C ATOM 656 CD2 TRP A 45 0.339 0.816 -5.588 1.00 0.00 C ATOM 657 NE1 TRP A 45 -1.332 -0.171 -6.708 1.00 0.00 N ATOM 658 CE2 TRP A 45 0.011 0.097 -6.754 1.00 0.00 C ATOM 659 CE3 TRP A 45 1.664 1.215 -5.393 1.00 0.00 C ATOM 660 CZ2 TRP A 45 0.961 -0.232 -7.717 1.00 0.00 C ATOM 661 CZ3 TRP A 45 2.605 0.887 -6.350 1.00 0.00 C ATOM 662 CH2 TRP A 45 2.250 0.170 -7.500 1.00 0.00 C ATOM 0 H TRP A 45 -2.694 4.217 -3.218 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.147 1.412 -3.660 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.355 2.537 -3.494 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.697 1.003 -2.720 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.891 0.298 -5.257 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.859 -0.681 -7.417 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.947 1.769 -4.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.690 -0.785 -8.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.632 1.189 -6.209 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.009 -0.070 -8.230 1.00 0.00 H new ATOM 673 N GLU A 46 -3.058 1.073 -1.141 1.00 0.00 N ATOM 674 CA GLU A 46 -3.316 1.009 0.293 1.00 0.00 C ATOM 675 C GLU A 46 -2.297 0.112 0.990 1.00 0.00 C ATOM 676 O GLU A 46 -1.954 -0.959 0.492 1.00 0.00 O ATOM 677 CB GLU A 46 -4.732 0.492 0.556 1.00 0.00 C ATOM 678 CG GLU A 46 -5.350 1.034 1.834 1.00 0.00 C ATOM 679 CD GLU A 46 -6.722 0.450 2.112 1.00 0.00 C ATOM 680 OE1 GLU A 46 -7.708 0.949 1.532 1.00 0.00 O ATOM 681 OE2 GLU A 46 -6.808 -0.507 2.910 1.00 0.00 O ATOM 0 H GLU A 46 -3.187 0.189 -1.633 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.224 2.017 0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.369 0.758 -0.287 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.709 -0.597 0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.690 0.816 2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.428 2.119 1.764 1.00 0.00 H new ATOM 688 N GLY A 47 -1.817 0.558 2.147 1.00 0.00 N ATOM 689 CA GLY A 47 -0.842 -0.215 2.893 1.00 0.00 C ATOM 690 C GLY A 47 -0.896 0.067 4.382 1.00 0.00 C ATOM 691 O GLY A 47 -1.477 1.063 4.811 1.00 0.00 O ATOM 0 H GLY A 47 -2.086 1.441 2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.016 -1.277 2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.157 0.009 2.520 1.00 0.00 H new ATOM 695 N GLU A 48 -0.290 -0.814 5.172 1.00 0.00 N ATOM 696 CA GLU A 48 -0.274 -0.656 6.621 1.00 0.00 C ATOM 697 C GLU A 48 1.062 -0.086 7.091 1.00 0.00 C ATOM 698 O GLU A 48 2.126 -0.591 6.732 1.00 0.00 O ATOM 699 CB GLU A 48 -0.538 -1.998 7.306 1.00 0.00 C ATOM 700 CG GLU A 48 -1.167 -1.866 8.683 1.00 0.00 C ATOM 701 CD GLU A 48 -1.613 -3.199 9.251 1.00 0.00 C ATOM 702 OE1 GLU A 48 -0.873 -4.192 9.087 1.00 0.00 O ATOM 703 OE2 GLU A 48 -2.702 -3.249 9.860 1.00 0.00 O ATOM 0 H GLU A 48 0.196 -1.644 4.833 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.064 0.044 6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.193 -2.597 6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.403 -2.541 7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.450 -1.407 9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.024 -1.195 8.624 1.00 0.00 H new ATOM 710 N LEU A 49 0.997 0.968 7.897 1.00 0.00 N ATOM 711 CA LEU A 49 2.200 1.608 8.417 1.00 0.00 C ATOM 712 C LEU A 49 1.983 2.095 9.847 1.00 0.00 C ATOM 713 O LEU A 49 1.176 2.990 10.092 1.00 0.00 O ATOM 714 CB LEU A 49 2.605 2.781 7.523 1.00 0.00 C ATOM 715 CG LEU A 49 3.892 3.509 7.912 1.00 0.00 C ATOM 716 CD1 LEU A 49 5.107 2.650 7.598 1.00 0.00 C ATOM 717 CD2 LEU A 49 3.985 4.849 7.197 1.00 0.00 C ATOM 0 H LEU A 49 0.124 1.397 8.204 1.00 0.00 H new ATOM 0 HA LEU A 49 3.001 0.869 8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.714 2.413 6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.790 3.505 7.516 1.00 0.00 H new ATOM 0 HG LEU A 49 3.871 3.694 8.986 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.014 3.185 7.882 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.047 1.716 8.157 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.133 2.433 6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.907 5.353 7.486 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.983 4.687 6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.132 5.469 7.473 1.00 0.00 H new ATOM 729 N ASN A 50 2.712 1.500 10.786 1.00 0.00 N ATOM 730 CA ASN A 50 2.601 1.875 12.191 1.00 0.00 C ATOM 731 C ASN A 50 1.193 1.609 12.714 1.00 0.00 C ATOM 732 O ASN A 50 0.625 2.425 13.440 1.00 0.00 O ATOM 733 CB ASN A 50 2.956 3.351 12.376 1.00 0.00 C ATOM 734 CG ASN A 50 4.295 3.706 11.759 1.00 0.00 C ATOM 735 OD1 ASN A 50 4.330 4.805 11.014 1.00 0.00 O flip ATOM 736 ND2 ASN A 50 5.286 3.000 11.951 1.00 0.00 N flip ATOM 0 H ASN A 50 3.385 0.757 10.599 1.00 0.00 H new ATOM 0 HA ASN A 50 3.303 1.266 12.761 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.177 3.968 11.927 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.976 3.586 13.440 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.212 2.164 12.531 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.180 3.251 11.530 1.00 0.00 H new ATOM 743 N GLY A 51 0.635 0.461 12.342 1.00 0.00 N ATOM 744 CA GLY A 51 -0.701 0.108 12.783 1.00 0.00 C ATOM 745 C GLY A 51 -1.759 1.050 12.243 1.00 0.00 C ATOM 746 O GLY A 51 -2.714 1.388 12.941 1.00 0.00 O ATOM 0 H GLY A 51 1.085 -0.231 11.743 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.928 -0.909 12.464 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.734 0.116 13.872 1.00 0.00 H new ATOM 750 N ARG A 52 -1.587 1.476 10.995 1.00 0.00 N ATOM 751 CA ARG A 52 -2.533 2.387 10.363 1.00 0.00 C ATOM 752 C ARG A 52 -2.838 1.948 8.933 1.00 0.00 C ATOM 753 O ARG A 52 -1.928 1.669 8.152 1.00 0.00 O ATOM 754 CB ARG A 52 -1.978 3.813 10.363 1.00 0.00 C ATOM 755 CG ARG A 52 -1.788 4.392 11.755 1.00 0.00 C ATOM 756 CD ARG A 52 -1.947 5.905 11.755 1.00 0.00 C ATOM 757 NE ARG A 52 -3.341 6.309 11.591 1.00 0.00 N ATOM 758 CZ ARG A 52 -4.219 6.338 12.587 1.00 0.00 C ATOM 759 NH1 ARG A 52 -3.850 5.989 13.811 1.00 0.00 N ATOM 760 NH2 ARG A 52 -5.470 6.718 12.358 1.00 0.00 N ATOM 0 H ARG A 52 -0.802 1.205 10.403 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.459 2.365 10.937 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.021 3.821 9.841 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.654 4.457 9.800 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.514 3.949 12.437 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.798 4.129 12.128 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.560 6.310 12.690 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.349 6.332 10.950 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.657 6.584 10.661 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.889 5.697 13.990 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.527 6.012 14.574 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.757 6.988 11.417 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.144 6.740 13.123 1.00 0.00 H new ATOM 774 N ARG A 53 -4.123 1.890 8.599 1.00 0.00 N ATOM 775 CA ARG A 53 -4.547 1.484 7.265 1.00 0.00 C ATOM 776 C ARG A 53 -5.127 2.667 6.495 1.00 0.00 C ATOM 777 O ARG A 53 -6.205 3.164 6.820 1.00 0.00 O ATOM 778 CB ARG A 53 -5.584 0.363 7.356 1.00 0.00 C ATOM 779 CG ARG A 53 -4.976 -1.015 7.560 1.00 0.00 C ATOM 780 CD ARG A 53 -6.024 -2.029 7.990 1.00 0.00 C ATOM 781 NE ARG A 53 -6.856 -2.465 6.872 1.00 0.00 N ATOM 782 CZ ARG A 53 -7.620 -3.551 6.904 1.00 0.00 C ATOM 783 NH1 ARG A 53 -7.657 -4.307 7.992 1.00 0.00 N ATOM 784 NH2 ARG A 53 -8.349 -3.882 5.846 1.00 0.00 N ATOM 0 H ARG A 53 -4.888 2.119 9.234 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.672 1.118 6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.265 0.576 8.180 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.180 0.356 6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.506 -1.347 6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.191 -0.959 8.314 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.531 -2.894 8.433 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.656 -1.591 8.763 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.850 -1.905 6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.098 -4.055 8.807 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.245 -5.140 8.014 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.323 -3.302 5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.935 -4.716 5.871 1.00 0.00 H new ATOM 798 N GLY A 54 -4.404 3.113 5.472 1.00 0.00 N ATOM 799 CA GLY A 54 -4.862 4.234 4.673 1.00 0.00 C ATOM 800 C GLY A 54 -4.296 4.214 3.267 1.00 0.00 C ATOM 801 O GLY A 54 -3.352 3.476 2.981 1.00 0.00 O ATOM 0 H GLY A 54 -3.509 2.718 5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.951 4.220 4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.577 5.165 5.163 1.00 0.00 H new ATOM 805 N VAL A 55 -4.873 5.025 2.386 1.00 0.00 N ATOM 806 CA VAL A 55 -4.420 5.097 1.002 1.00 0.00 C ATOM 807 C VAL A 55 -3.226 6.034 0.862 1.00 0.00 C ATOM 808 O VAL A 55 -2.950 6.841 1.750 1.00 0.00 O ATOM 809 CB VAL A 55 -5.547 5.575 0.067 1.00 0.00 C ATOM 810 CG1 VAL A 55 -6.711 4.596 0.090 1.00 0.00 C ATOM 811 CG2 VAL A 55 -6.006 6.972 0.458 1.00 0.00 C ATOM 0 H VAL A 55 -5.655 5.641 2.606 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.122 4.089 0.714 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.159 5.616 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.498 4.950 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.369 3.616 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.102 4.520 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.802 7.294 -0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.377 6.959 1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.167 7.664 0.385 1.00 0.00 H new ATOM 821 N PHE A 56 -2.522 5.923 -0.259 1.00 0.00 N ATOM 822 CA PHE A 56 -1.356 6.761 -0.515 1.00 0.00 C ATOM 823 C PHE A 56 -0.967 6.714 -1.990 1.00 0.00 C ATOM 824 O PHE A 56 -1.223 5.738 -2.695 1.00 0.00 O ATOM 825 CB PHE A 56 -0.177 6.311 0.350 1.00 0.00 C ATOM 826 CG PHE A 56 0.292 4.917 0.045 1.00 0.00 C ATOM 827 CD1 PHE A 56 0.936 4.633 -1.148 1.00 0.00 C ATOM 828 CD2 PHE A 56 0.088 3.889 0.952 1.00 0.00 C ATOM 829 CE1 PHE A 56 1.369 3.352 -1.431 1.00 0.00 C ATOM 830 CE2 PHE A 56 0.519 2.606 0.675 1.00 0.00 C ATOM 831 CZ PHE A 56 1.159 2.336 -0.519 1.00 0.00 C ATOM 0 H PHE A 56 -2.738 5.261 -1.005 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.614 7.788 -0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.652 7.004 0.209 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.464 6.368 1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.102 5.423 -1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.414 4.093 1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.871 3.145 -2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.356 1.815 1.392 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.494 1.333 -0.739 1.00 0.00 H new ATOM 841 N PRO A 57 -0.332 7.795 -2.468 1.00 0.00 N ATOM 842 CA PRO A 57 0.106 7.902 -3.863 1.00 0.00 C ATOM 843 C PRO A 57 1.263 6.961 -4.181 1.00 0.00 C ATOM 844 O PRO A 57 2.342 7.068 -3.596 1.00 0.00 O ATOM 845 CB PRO A 57 0.555 9.361 -3.982 1.00 0.00 C ATOM 846 CG PRO A 57 0.928 9.757 -2.596 1.00 0.00 C ATOM 847 CD PRO A 57 0.006 8.995 -1.685 1.00 0.00 C ATOM 0 HA PRO A 57 -0.684 7.626 -4.561 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.400 9.461 -4.663 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.245 9.991 -4.372 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.970 9.515 -2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.816 10.832 -2.454 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.493 8.737 -0.745 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.882 9.575 -1.435 1.00 0.00 H new ATOM 855 N ASP A 58 1.033 6.041 -5.110 1.00 0.00 N ATOM 856 CA ASP A 58 2.057 5.081 -5.507 1.00 0.00 C ATOM 857 C ASP A 58 3.313 5.798 -5.995 1.00 0.00 C ATOM 858 O ASP A 58 4.427 5.309 -5.814 1.00 0.00 O ATOM 859 CB ASP A 58 1.524 4.158 -6.603 1.00 0.00 C ATOM 860 CG ASP A 58 2.630 3.582 -7.465 1.00 0.00 C ATOM 861 OD1 ASP A 58 3.718 3.297 -6.922 1.00 0.00 O ATOM 862 OD2 ASP A 58 2.409 3.417 -8.683 1.00 0.00 O ATOM 0 H ASP A 58 0.146 5.939 -5.603 1.00 0.00 H new ATOM 0 HA ASP A 58 2.317 4.482 -4.634 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.962 3.343 -6.146 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.828 4.711 -7.233 1.00 0.00 H new ATOM 867 N ASN A 59 3.123 6.958 -6.615 1.00 0.00 N ATOM 868 CA ASN A 59 4.240 7.741 -7.130 1.00 0.00 C ATOM 869 C ASN A 59 5.233 8.069 -6.019 1.00 0.00 C ATOM 870 O ASN A 59 6.438 8.154 -6.254 1.00 0.00 O ATOM 871 CB ASN A 59 3.731 9.033 -7.772 1.00 0.00 C ATOM 872 CG ASN A 59 4.807 9.744 -8.571 1.00 0.00 C ATOM 873 OD1 ASN A 59 5.998 9.594 -8.300 1.00 0.00 O ATOM 874 ND2 ASN A 59 4.389 10.524 -9.561 1.00 0.00 N ATOM 0 H ASN A 59 2.206 7.376 -6.773 1.00 0.00 H new ATOM 0 HA ASN A 59 4.751 7.144 -7.885 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.889 8.804 -8.425 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.359 9.700 -6.994 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.066 11.029 -10.133 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.391 10.618 -9.749 1.00 0.00 H new ATOM 881 N PHE A 60 4.718 8.252 -4.808 1.00 0.00 N ATOM 882 CA PHE A 60 5.558 8.571 -3.660 1.00 0.00 C ATOM 883 C PHE A 60 6.254 7.321 -3.131 1.00 0.00 C ATOM 884 O PHE A 60 7.037 7.386 -2.183 1.00 0.00 O ATOM 885 CB PHE A 60 4.721 9.211 -2.550 1.00 0.00 C ATOM 886 CG PHE A 60 4.415 10.661 -2.790 1.00 0.00 C ATOM 887 CD1 PHE A 60 3.612 11.047 -3.851 1.00 0.00 C ATOM 888 CD2 PHE A 60 4.930 11.639 -1.954 1.00 0.00 C ATOM 889 CE1 PHE A 60 3.330 12.381 -4.074 1.00 0.00 C ATOM 890 CE2 PHE A 60 4.650 12.975 -2.172 1.00 0.00 C ATOM 891 CZ PHE A 60 3.848 13.346 -3.233 1.00 0.00 C ATOM 0 H PHE A 60 3.722 8.185 -4.596 1.00 0.00 H new ATOM 0 HA PHE A 60 6.320 9.279 -3.985 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.785 8.662 -2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.251 9.112 -1.603 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.202 10.297 -4.511 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.557 11.354 -1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.704 12.669 -4.906 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.058 13.728 -1.513 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.626 14.389 -3.405 1.00 0.00 H new ATOM 901 N VAL A 61 5.963 6.181 -3.751 1.00 0.00 N ATOM 902 CA VAL A 61 6.560 4.915 -3.344 1.00 0.00 C ATOM 903 C VAL A 61 6.944 4.074 -4.556 1.00 0.00 C ATOM 904 O VAL A 61 6.658 4.441 -5.696 1.00 0.00 O ATOM 905 CB VAL A 61 5.602 4.103 -2.452 1.00 0.00 C ATOM 906 CG1 VAL A 61 5.254 4.883 -1.193 1.00 0.00 C ATOM 907 CG2 VAL A 61 4.344 3.731 -3.223 1.00 0.00 C ATOM 0 H VAL A 61 5.317 6.109 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 61 7.457 5.157 -2.774 1.00 0.00 H new ATOM 0 HB VAL A 61 6.104 3.183 -2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.576 4.293 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.165 5.094 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.771 5.821 -1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.678 3.158 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.838 4.638 -3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.614 3.130 -4.092 1.00 0.00 H new ATOM 917 N LYS A 62 7.595 2.944 -4.303 1.00 0.00 N ATOM 918 CA LYS A 62 8.018 2.048 -5.373 1.00 0.00 C ATOM 919 C LYS A 62 7.904 0.590 -4.938 1.00 0.00 C ATOM 920 O LYS A 62 7.963 0.280 -3.748 1.00 0.00 O ATOM 921 CB LYS A 62 9.459 2.357 -5.785 1.00 0.00 C ATOM 922 CG LYS A 62 9.585 3.570 -6.690 1.00 0.00 C ATOM 923 CD LYS A 62 10.852 3.511 -7.528 1.00 0.00 C ATOM 924 CE LYS A 62 11.374 4.903 -7.848 1.00 0.00 C ATOM 925 NZ LYS A 62 10.698 5.489 -9.039 1.00 0.00 N ATOM 0 H LYS A 62 7.841 2.627 -3.366 1.00 0.00 H new ATOM 0 HA LYS A 62 7.360 2.207 -6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.058 2.519 -4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.877 1.489 -6.295 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.716 3.628 -7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.589 4.477 -6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.617 2.948 -6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.651 2.974 -8.455 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.222 5.554 -6.987 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.448 4.856 -8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.082 6.438 -9.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.864 4.881 -9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.676 5.558 -8.859 1.00 0.00 H new ATOM 939 N LEU A 63 7.741 -0.301 -5.910 1.00 0.00 N ATOM 940 CA LEU A 63 7.620 -1.727 -5.628 1.00 0.00 C ATOM 941 C LEU A 63 8.993 -2.390 -5.576 1.00 0.00 C ATOM 942 O LEU A 63 9.700 -2.458 -6.582 1.00 0.00 O ATOM 943 CB LEU A 63 6.754 -2.406 -6.690 1.00 0.00 C ATOM 944 CG LEU A 63 5.254 -2.465 -6.396 1.00 0.00 C ATOM 945 CD1 LEU A 63 4.978 -3.382 -5.215 1.00 0.00 C ATOM 946 CD2 LEU A 63 4.708 -1.070 -6.130 1.00 0.00 C ATOM 0 H LEU A 63 7.690 -0.061 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 63 7.144 -1.840 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.898 -1.884 -7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.117 -3.424 -6.829 1.00 0.00 H new ATOM 0 HG LEU A 63 4.747 -2.871 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.906 -3.412 -5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.333 -4.387 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.497 -3.006 -4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.640 -1.131 -5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.220 -0.636 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.873 -0.442 -7.005 1.00 0.00 H new ATOM 958 N LEU A 64 9.364 -2.879 -4.398 1.00 0.00 N ATOM 959 CA LEU A 64 10.651 -3.539 -4.214 1.00 0.00 C ATOM 960 C LEU A 64 10.639 -4.936 -4.827 1.00 0.00 C ATOM 961 O LEU A 64 9.962 -5.836 -4.331 1.00 0.00 O ATOM 962 CB LEU A 64 10.995 -3.626 -2.726 1.00 0.00 C ATOM 963 CG LEU A 64 10.998 -2.302 -1.960 1.00 0.00 C ATOM 964 CD1 LEU A 64 11.019 -2.554 -0.460 1.00 0.00 C ATOM 965 CD2 LEU A 64 12.185 -1.447 -2.376 1.00 0.00 C ATOM 0 H LEU A 64 8.791 -2.831 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 64 11.411 -2.945 -4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.283 -4.298 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.980 -4.082 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 64 10.084 -1.761 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.021 -1.601 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.136 -3.126 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.915 -3.116 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.170 -0.509 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.111 -1.981 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.126 -1.237 -3.444 1.00 0.00 H new ATOM 977 N SER A 65 11.395 -5.110 -5.906 1.00 0.00 N ATOM 978 CA SER A 65 11.471 -6.397 -6.587 1.00 0.00 C ATOM 979 C SER A 65 12.489 -7.311 -5.912 1.00 0.00 C ATOM 980 O SER A 65 13.367 -6.850 -5.185 1.00 0.00 O ATOM 981 CB SER A 65 11.843 -6.199 -8.058 1.00 0.00 C ATOM 982 OG SER A 65 10.832 -5.486 -8.749 1.00 0.00 O ATOM 0 H SER A 65 11.964 -4.376 -6.328 1.00 0.00 H new ATOM 0 HA SER A 65 10.490 -6.869 -6.528 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.786 -5.658 -8.128 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.996 -7.169 -8.531 1.00 0.00 H new ATOM 0 HG SER A 65 11.095 -5.371 -9.686 1.00 0.00 H new ATOM 988 N GLY A 66 12.362 -8.612 -6.158 1.00 0.00 N ATOM 989 CA GLY A 66 13.277 -9.571 -5.567 1.00 0.00 C ATOM 990 C GLY A 66 12.644 -10.935 -5.378 1.00 0.00 C ATOM 991 O GLY A 66 11.927 -11.435 -6.244 1.00 0.00 O ATOM 0 H GLY A 66 11.642 -9.018 -6.756 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.158 -9.667 -6.202 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.619 -9.196 -4.602 1.00 0.00 H new ATOM 995 N PRO A 67 12.911 -11.560 -4.222 1.00 0.00 N ATOM 996 CA PRO A 67 12.373 -12.884 -3.895 1.00 0.00 C ATOM 997 C PRO A 67 10.869 -12.853 -3.644 1.00 0.00 C ATOM 998 O PRO A 67 10.213 -13.894 -3.616 1.00 0.00 O ATOM 999 CB PRO A 67 13.121 -13.265 -2.615 1.00 0.00 C ATOM 1000 CG PRO A 67 13.505 -11.964 -1.999 1.00 0.00 C ATOM 1001 CD PRO A 67 13.759 -11.023 -3.144 1.00 0.00 C ATOM 0 HA PRO A 67 12.510 -13.592 -4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.489 -13.849 -1.946 1.00 0.00 H new ATOM 0 HB3 PRO A 67 13.998 -13.873 -2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 67 12.711 -11.588 -1.354 1.00 0.00 H new ATOM 0 HG3 PRO A 67 14.395 -12.073 -1.379 1.00 0.00 H new ATOM 0 HD2 PRO A 67 13.486 -9.999 -2.890 1.00 0.00 H new ATOM 0 HD3 PRO A 67 14.811 -11.011 -3.429 1.00 0.00 H new ATOM 1009 N SER A 68 10.329 -11.652 -3.462 1.00 0.00 N ATOM 1010 CA SER A 68 8.903 -11.486 -3.210 1.00 0.00 C ATOM 1011 C SER A 68 8.081 -11.959 -4.405 1.00 0.00 C ATOM 1012 O SER A 68 8.312 -11.536 -5.538 1.00 0.00 O ATOM 1013 CB SER A 68 8.584 -10.021 -2.906 1.00 0.00 C ATOM 1014 OG SER A 68 8.756 -9.212 -4.057 1.00 0.00 O ATOM 0 H SER A 68 10.858 -10.780 -3.484 1.00 0.00 H new ATOM 0 HA SER A 68 8.639 -12.095 -2.345 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.558 -9.936 -2.548 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.232 -9.663 -2.106 1.00 0.00 H new ATOM 0 HG SER A 68 8.801 -9.781 -4.853 1.00 0.00 H new ATOM 1020 N SER A 69 7.121 -12.840 -4.144 1.00 0.00 N ATOM 1021 CA SER A 69 6.266 -13.375 -5.197 1.00 0.00 C ATOM 1022 C SER A 69 4.951 -13.890 -4.621 1.00 0.00 C ATOM 1023 O SER A 69 4.879 -14.271 -3.453 1.00 0.00 O ATOM 1024 CB SER A 69 6.985 -14.500 -5.944 1.00 0.00 C ATOM 1025 OG SER A 69 7.795 -13.985 -6.986 1.00 0.00 O ATOM 0 H SER A 69 6.916 -13.199 -3.212 1.00 0.00 H new ATOM 0 HA SER A 69 6.044 -12.568 -5.896 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.601 -15.067 -5.247 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.252 -15.192 -6.358 1.00 0.00 H new ATOM 0 HG SER A 69 8.111 -13.090 -6.743 1.00 0.00 H new ATOM 1031 N GLY A 70 3.912 -13.899 -5.450 1.00 0.00 N ATOM 1032 CA GLY A 70 2.612 -14.369 -5.006 1.00 0.00 C ATOM 1033 C GLY A 70 1.979 -13.444 -3.986 1.00 0.00 C ATOM 1034 O GLY A 70 0.991 -13.801 -3.344 1.00 0.00 O ATOM 0 H GLY A 70 3.947 -13.589 -6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.950 -14.463 -5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.717 -15.364 -4.574 1.00 0.00 H new TER 1038 GLY A 70