USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 627 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 PHE N :NH3+ 148:sc= 0.694 (180deg=0.119) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.3 K(o=-0.3,f=-5.2!) USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0753) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -29:sc= 0.0927 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -154:sc= -0.0796 (180deg=-0.665) USER MOD Single : A 29 HIS : no HD1:sc= -0.376 X(o=-0.38,f=-0.03) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -118:sc= 1.03 (180deg=-1.09) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -168:sc= -1.18 (180deg=-1.54) USER MOD Single : A 46 ASN : amide:sc= -1.92 K(o=-1.9,f=-2.9!) USER MOD Single : A 47 ASN : amide:sc= -0.722 K(o=-0.72,f=-2.4!) USER MOD Single : A 48 THR OG1 : rot 19:sc= 0.389 USER MOD Single : A 53 LYS NZ :NH3+ -143:sc= 0.925 (180deg=0.163) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.121 USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.158) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0723) USER MOD Single : A 67 TYR OH : rot 180:sc= -1.31 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 8:sc= 0.0973 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 5.432 27.615 11.240 1.00 0.00 N ATOM 2 CA PHE A 1 4.884 28.916 10.786 1.00 0.00 C ATOM 3 C PHE A 1 5.255 29.160 9.330 1.00 0.00 C ATOM 4 O PHE A 1 5.918 30.127 9.014 1.00 0.00 O ATOM 5 CB PHE A 1 5.475 30.062 11.627 1.00 0.00 C ATOM 6 CG PHE A 1 5.018 29.918 13.079 1.00 0.00 C ATOM 7 CD1 PHE A 1 3.829 30.490 13.502 1.00 0.00 C ATOM 8 CD2 PHE A 1 5.787 29.217 13.991 1.00 0.00 C ATOM 9 CE1 PHE A 1 3.422 30.362 14.816 1.00 0.00 C ATOM 10 CE2 PHE A 1 5.377 29.091 15.301 1.00 0.00 C ATOM 11 CZ PHE A 1 4.195 29.663 15.712 1.00 0.00 C ATOM 0 H1 PHE A 1 5.669 27.672 12.251 1.00 0.00 H new ATOM 0 H2 PHE A 1 4.723 26.869 11.092 1.00 0.00 H new ATOM 0 H3 PHE A 1 6.289 27.390 10.695 1.00 0.00 H new ATOM 0 HA PHE A 1 3.800 28.886 10.899 1.00 0.00 H new ATOM 0 HB2 PHE A 1 6.564 30.042 11.574 1.00 0.00 H new ATOM 0 HB3 PHE A 1 5.154 31.024 11.227 1.00 0.00 H new ATOM 0 HD1 PHE A 1 3.217 31.039 12.801 1.00 0.00 H new ATOM 0 HD2 PHE A 1 6.715 28.765 13.674 1.00 0.00 H new ATOM 0 HE1 PHE A 1 2.495 30.812 15.140 1.00 0.00 H new ATOM 0 HE2 PHE A 1 5.984 28.543 16.006 1.00 0.00 H new ATOM 0 HZ PHE A 1 3.875 29.563 16.739 1.00 0.00 H new ATOM 23 N LYS A 2 4.824 28.281 8.463 1.00 0.00 N ATOM 24 CA LYS A 2 5.154 28.463 7.026 1.00 0.00 C ATOM 25 C LYS A 2 6.643 28.745 6.865 1.00 0.00 C ATOM 26 O LYS A 2 7.032 29.755 6.312 1.00 0.00 O ATOM 27 CB LYS A 2 4.356 29.671 6.495 1.00 0.00 C ATOM 28 CG LYS A 2 2.857 29.457 6.782 1.00 0.00 C ATOM 29 CD LYS A 2 2.078 30.765 6.509 1.00 0.00 C ATOM 30 CE LYS A 2 1.844 30.959 4.981 1.00 0.00 C ATOM 31 NZ LYS A 2 0.392 30.834 4.666 1.00 0.00 N ATOM 0 H LYS A 2 4.266 27.457 8.687 1.00 0.00 H new ATOM 0 HA LYS A 2 4.900 27.559 6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.702 30.588 6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.520 29.787 5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.469 28.654 6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.716 29.149 7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.120 30.738 7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.633 31.614 6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.209 31.938 4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.411 30.216 4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.246 30.965 3.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.056 29.890 4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.140 31.560 5.188 1.00 0.00 H new ATOM 45 N ASP A 3 7.447 27.841 7.359 1.00 0.00 N ATOM 46 CA ASP A 3 8.903 28.022 7.255 1.00 0.00 C ATOM 47 C ASP A 3 9.333 28.236 5.777 1.00 0.00 C ATOM 48 O ASP A 3 8.647 27.808 4.874 1.00 0.00 O ATOM 49 CB ASP A 3 9.550 26.741 7.799 1.00 0.00 C ATOM 50 CG ASP A 3 9.478 26.746 9.328 1.00 0.00 C ATOM 51 OD1 ASP A 3 8.380 26.535 9.818 1.00 0.00 O ATOM 52 OD2 ASP A 3 10.523 26.958 9.919 1.00 0.00 O ATOM 0 H ASP A 3 7.147 26.987 7.829 1.00 0.00 H new ATOM 0 HA ASP A 3 9.216 28.901 7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.037 25.865 7.402 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.588 26.678 7.473 1.00 0.00 H new ATOM 57 N PRO A 4 10.467 28.917 5.554 1.00 0.00 N ATOM 58 CA PRO A 4 10.945 29.162 4.186 1.00 0.00 C ATOM 59 C PRO A 4 11.386 27.859 3.470 1.00 0.00 C ATOM 60 O PRO A 4 10.678 27.338 2.633 1.00 0.00 O ATOM 61 CB PRO A 4 12.174 30.115 4.358 1.00 0.00 C ATOM 62 CG PRO A 4 12.493 30.178 5.888 1.00 0.00 C ATOM 63 CD PRO A 4 11.301 29.517 6.626 1.00 0.00 C ATOM 0 HA PRO A 4 10.152 29.586 3.569 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.033 29.742 3.800 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.949 31.108 3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.423 29.654 6.110 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.623 31.210 6.213 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.645 28.758 7.329 1.00 0.00 H new ATOM 0 HD3 PRO A 4 10.736 30.252 7.200 1.00 0.00 H new ATOM 71 N ASN A 5 12.552 27.372 3.831 1.00 0.00 N ATOM 72 CA ASN A 5 13.073 26.125 3.200 1.00 0.00 C ATOM 73 C ASN A 5 12.097 24.957 3.321 1.00 0.00 C ATOM 74 O ASN A 5 12.288 23.938 2.687 1.00 0.00 O ATOM 75 CB ASN A 5 14.387 25.759 3.907 1.00 0.00 C ATOM 76 CG ASN A 5 15.397 26.893 3.702 1.00 0.00 C ATOM 77 OD1 ASN A 5 15.115 28.045 3.968 1.00 0.00 O ATOM 78 ND2 ASN A 5 16.582 26.615 3.229 1.00 0.00 N ATOM 0 H ASN A 5 13.162 27.787 4.535 1.00 0.00 H new ATOM 0 HA ASN A 5 13.220 26.310 2.136 1.00 0.00 H new ATOM 0 HB2 ASN A 5 14.210 25.600 4.971 1.00 0.00 H new ATOM 0 HB3 ASN A 5 14.783 24.826 3.507 1.00 0.00 H new ATOM 0 HD21 ASN A 5 17.262 27.362 3.086 1.00 0.00 H new ATOM 0 HD22 ASN A 5 16.828 25.651 3.003 1.00 0.00 H new ATOM 85 N ALA A 6 11.066 25.140 4.127 1.00 0.00 N ATOM 86 CA ALA A 6 10.025 24.052 4.329 1.00 0.00 C ATOM 87 C ALA A 6 9.975 23.057 3.135 1.00 0.00 C ATOM 88 O ALA A 6 9.241 23.261 2.189 1.00 0.00 O ATOM 89 CB ALA A 6 8.665 24.736 4.423 1.00 0.00 C ATOM 0 H ALA A 6 10.896 25.995 4.656 1.00 0.00 H new ATOM 0 HA ALA A 6 10.280 23.490 5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.889 23.984 4.569 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.663 25.428 5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.470 25.285 3.502 1.00 0.00 H new ATOM 95 N PRO A 7 10.766 21.985 3.216 1.00 0.00 N ATOM 96 CA PRO A 7 10.825 20.979 2.175 1.00 0.00 C ATOM 97 C PRO A 7 9.786 19.887 2.422 1.00 0.00 C ATOM 98 O PRO A 7 8.775 20.110 3.056 1.00 0.00 O ATOM 99 CB PRO A 7 12.254 20.407 2.361 1.00 0.00 C ATOM 100 CG PRO A 7 12.548 20.545 3.858 1.00 0.00 C ATOM 101 CD PRO A 7 11.662 21.709 4.345 1.00 0.00 C ATOM 0 HA PRO A 7 10.625 21.368 1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 7 12.306 19.366 2.044 1.00 0.00 H new ATOM 0 HB3 PRO A 7 12.980 20.959 1.764 1.00 0.00 H new ATOM 0 HG2 PRO A 7 12.313 19.623 4.391 1.00 0.00 H new ATOM 0 HG3 PRO A 7 13.603 20.755 4.033 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.102 21.434 5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 7 12.260 22.584 4.600 1.00 0.00 H new ATOM 109 N LYS A 8 10.067 18.731 1.915 1.00 0.00 N ATOM 110 CA LYS A 8 9.148 17.580 2.081 1.00 0.00 C ATOM 111 C LYS A 8 9.966 16.354 2.410 1.00 0.00 C ATOM 112 O LYS A 8 10.902 16.019 1.711 1.00 0.00 O ATOM 113 CB LYS A 8 8.412 17.345 0.770 1.00 0.00 C ATOM 114 CG LYS A 8 7.325 18.417 0.596 1.00 0.00 C ATOM 115 CD LYS A 8 6.783 18.369 -0.840 1.00 0.00 C ATOM 116 CE LYS A 8 5.905 19.601 -1.090 1.00 0.00 C ATOM 117 NZ LYS A 8 4.680 19.555 -0.241 1.00 0.00 N ATOM 0 H LYS A 8 10.912 18.528 1.381 1.00 0.00 H new ATOM 0 HA LYS A 8 8.432 17.780 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.112 17.382 -0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.963 16.352 0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.516 18.249 1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.736 19.404 0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.608 18.345 -1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.204 17.458 -0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.471 20.507 -0.873 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.623 19.646 -2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.035 20.322 -0.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.204 18.639 -0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.945 19.672 0.758 1.00 0.00 H new ATOM 131 N ARG A 9 9.608 15.708 3.463 1.00 0.00 N ATOM 132 CA ARG A 9 10.345 14.498 3.873 1.00 0.00 C ATOM 133 C ARG A 9 9.725 13.229 3.263 1.00 0.00 C ATOM 134 O ARG A 9 8.536 13.187 3.014 1.00 0.00 O ATOM 135 CB ARG A 9 10.205 14.400 5.391 1.00 0.00 C ATOM 136 CG ARG A 9 10.973 15.546 6.049 1.00 0.00 C ATOM 137 CD ARG A 9 10.533 15.691 7.514 1.00 0.00 C ATOM 138 NE ARG A 9 9.050 15.828 7.574 1.00 0.00 N ATOM 139 CZ ARG A 9 8.463 15.935 8.733 1.00 0.00 C ATOM 140 NH1 ARG A 9 9.060 16.602 9.679 1.00 0.00 N ATOM 141 NH2 ARG A 9 7.299 15.367 8.905 1.00 0.00 N ATOM 0 H ARG A 9 8.828 15.966 4.067 1.00 0.00 H new ATOM 0 HA ARG A 9 11.381 14.569 3.541 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.153 14.444 5.673 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.590 13.442 5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.045 15.354 5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.790 16.476 5.510 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.853 14.822 8.089 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.008 16.563 7.963 1.00 0.00 H new ATOM 0 HE ARG A 9 8.499 15.838 6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.970 17.029 9.506 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.618 16.697 10.593 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.865 14.851 8.140 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.824 15.440 9.805 1.00 0.00 H new ATOM 155 N PRO A 10 10.542 12.198 3.023 1.00 0.00 N ATOM 156 CA PRO A 10 10.018 10.967 2.455 1.00 0.00 C ATOM 157 C PRO A 10 8.870 10.454 3.370 1.00 0.00 C ATOM 158 O PRO A 10 9.041 10.396 4.571 1.00 0.00 O ATOM 159 CB PRO A 10 11.226 9.969 2.479 1.00 0.00 C ATOM 160 CG PRO A 10 12.447 10.739 3.091 1.00 0.00 C ATOM 161 CD PRO A 10 11.995 12.205 3.297 1.00 0.00 C ATOM 0 HA PRO A 10 9.620 11.088 1.448 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.987 9.089 3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.456 9.619 1.473 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.751 10.292 4.037 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.308 10.690 2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.204 12.544 4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.521 12.879 2.621 1.00 0.00 H new ATOM 169 N PRO A 11 7.720 10.093 2.808 1.00 0.00 N ATOM 170 CA PRO A 11 6.622 9.609 3.631 1.00 0.00 C ATOM 171 C PRO A 11 6.931 8.199 4.142 1.00 0.00 C ATOM 172 O PRO A 11 8.076 7.853 4.358 1.00 0.00 O ATOM 173 CB PRO A 11 5.410 9.612 2.662 1.00 0.00 C ATOM 174 CG PRO A 11 6.010 9.517 1.246 1.00 0.00 C ATOM 175 CD PRO A 11 7.441 10.097 1.354 1.00 0.00 C ATOM 0 HA PRO A 11 6.440 10.216 4.518 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.746 8.772 2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.819 10.520 2.777 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.032 8.484 0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.413 10.081 0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.161 9.488 0.808 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.496 11.104 0.940 1.00 0.00 H new ATOM 183 N SER A 12 5.918 7.423 4.324 1.00 0.00 N ATOM 184 CA SER A 12 6.129 6.033 4.820 1.00 0.00 C ATOM 185 C SER A 12 6.380 5.095 3.654 1.00 0.00 C ATOM 186 O SER A 12 5.762 5.216 2.616 1.00 0.00 O ATOM 187 CB SER A 12 4.858 5.575 5.553 1.00 0.00 C ATOM 188 OG SER A 12 5.192 4.286 6.051 1.00 0.00 O ATOM 0 H SER A 12 4.946 7.682 4.153 1.00 0.00 H new ATOM 0 HA SER A 12 6.989 6.016 5.489 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.595 6.259 6.360 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.002 5.533 4.879 1.00 0.00 H new ATOM 0 HG SER A 12 4.428 3.916 6.540 1.00 0.00 H new ATOM 194 N ALA A 13 7.286 4.180 3.834 1.00 0.00 N ATOM 195 CA ALA A 13 7.580 3.235 2.739 1.00 0.00 C ATOM 196 C ALA A 13 6.307 2.617 2.204 1.00 0.00 C ATOM 197 O ALA A 13 6.252 2.188 1.069 1.00 0.00 O ATOM 198 CB ALA A 13 8.462 2.108 3.290 1.00 0.00 C ATOM 0 H ALA A 13 7.830 4.050 4.687 1.00 0.00 H new ATOM 0 HA ALA A 13 8.080 3.776 1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.689 1.400 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.390 2.528 3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.935 1.593 4.093 1.00 0.00 H new ATOM 204 N PHE A 14 5.298 2.577 3.035 1.00 0.00 N ATOM 205 CA PHE A 14 4.004 1.982 2.593 1.00 0.00 C ATOM 206 C PHE A 14 3.074 3.051 1.989 1.00 0.00 C ATOM 207 O PHE A 14 2.108 2.730 1.337 1.00 0.00 O ATOM 208 CB PHE A 14 3.352 1.285 3.835 1.00 0.00 C ATOM 209 CG PHE A 14 1.874 1.663 4.027 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.526 2.954 4.330 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.882 0.700 3.923 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.204 3.293 4.532 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.434 1.035 4.123 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.777 2.332 4.428 1.00 0.00 C ATOM 0 H PHE A 14 5.314 2.928 3.993 1.00 0.00 H new ATOM 0 HA PHE A 14 4.176 1.249 1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.433 0.204 3.723 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.910 1.555 4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.292 3.711 4.411 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.146 -0.319 3.683 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.062 4.312 4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.201 0.279 4.041 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.812 2.596 4.585 1.00 0.00 H new ATOM 224 N PHE A 15 3.353 4.292 2.254 1.00 0.00 N ATOM 225 CA PHE A 15 2.481 5.351 1.685 1.00 0.00 C ATOM 226 C PHE A 15 2.642 5.336 0.194 1.00 0.00 C ATOM 227 O PHE A 15 1.690 5.435 -0.554 1.00 0.00 O ATOM 228 CB PHE A 15 2.938 6.716 2.198 1.00 0.00 C ATOM 229 CG PHE A 15 2.064 7.802 1.557 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.722 7.906 1.878 1.00 0.00 C ATOM 231 CD2 PHE A 15 2.605 8.689 0.644 1.00 0.00 C ATOM 232 CE1 PHE A 15 -0.063 8.879 1.293 1.00 0.00 C ATOM 233 CE2 PHE A 15 1.818 9.662 0.062 1.00 0.00 C ATOM 234 CZ PHE A 15 0.485 9.757 0.387 1.00 0.00 C ATOM 0 H PHE A 15 4.131 4.616 2.828 1.00 0.00 H new ATOM 0 HA PHE A 15 1.445 5.173 1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.856 6.758 3.284 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.987 6.881 1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.286 7.222 2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.651 8.620 0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.110 8.951 1.547 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.250 10.350 -0.650 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.130 10.519 -0.068 1.00 0.00 H new ATOM 244 N LEU A 16 3.867 5.207 -0.202 1.00 0.00 N ATOM 245 CA LEU A 16 4.178 5.174 -1.630 1.00 0.00 C ATOM 246 C LEU A 16 3.455 3.993 -2.256 1.00 0.00 C ATOM 247 O LEU A 16 3.197 3.960 -3.443 1.00 0.00 O ATOM 248 CB LEU A 16 5.698 4.936 -1.773 1.00 0.00 C ATOM 249 CG LEU A 16 6.487 5.928 -0.896 1.00 0.00 C ATOM 250 CD1 LEU A 16 7.973 5.526 -0.910 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.331 7.348 -1.452 1.00 0.00 C ATOM 0 H LEU A 16 4.672 5.122 0.418 1.00 0.00 H new ATOM 0 HA LEU A 16 3.876 6.103 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.940 3.914 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.993 5.050 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 16 6.105 5.905 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.544 6.220 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.080 4.516 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.349 5.557 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.890 8.046 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.715 7.384 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.277 7.625 -1.451 1.00 0.00 H new ATOM 263 N PHE A 17 3.147 3.043 -1.415 1.00 0.00 N ATOM 264 CA PHE A 17 2.444 1.824 -1.861 1.00 0.00 C ATOM 265 C PHE A 17 0.939 1.984 -1.694 1.00 0.00 C ATOM 266 O PHE A 17 0.164 1.416 -2.428 1.00 0.00 O ATOM 267 CB PHE A 17 2.972 0.720 -0.947 1.00 0.00 C ATOM 268 CG PHE A 17 2.117 -0.530 -0.973 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.930 -0.576 -0.264 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.573 -1.673 -1.597 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.217 -1.745 -0.178 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.856 -2.842 -1.511 1.00 0.00 C ATOM 273 CZ PHE A 17 0.679 -2.875 -0.795 1.00 0.00 C ATOM 0 H PHE A 17 3.361 3.069 -0.418 1.00 0.00 H new ATOM 0 HA PHE A 17 2.618 1.607 -2.915 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.989 0.464 -1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.025 1.096 0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.562 0.314 0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.497 -1.649 -2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.709 -1.773 0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.214 -3.734 -2.004 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.120 -3.796 -0.721 1.00 0.00 H new ATOM 283 N CYS A 18 0.547 2.750 -0.717 1.00 0.00 N ATOM 284 CA CYS A 18 -0.891 2.948 -0.502 1.00 0.00 C ATOM 285 C CYS A 18 -1.574 3.365 -1.803 1.00 0.00 C ATOM 286 O CYS A 18 -2.564 2.791 -2.204 1.00 0.00 O ATOM 287 CB CYS A 18 -1.087 4.066 0.540 1.00 0.00 C ATOM 288 SG CYS A 18 -2.769 4.690 0.775 1.00 0.00 S ATOM 0 H CYS A 18 1.163 3.240 -0.068 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.330 2.013 -0.153 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.725 3.700 1.501 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.451 4.906 0.259 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.764 5.621 1.683 1.00 0.00 H new ATOM 294 N SER A 19 -1.020 4.355 -2.443 1.00 0.00 N ATOM 295 CA SER A 19 -1.613 4.825 -3.710 1.00 0.00 C ATOM 296 C SER A 19 -1.486 3.775 -4.815 1.00 0.00 C ATOM 297 O SER A 19 -2.179 3.839 -5.811 1.00 0.00 O ATOM 298 CB SER A 19 -0.868 6.097 -4.145 1.00 0.00 C ATOM 299 OG SER A 19 -1.714 6.677 -5.126 1.00 0.00 O ATOM 0 H SER A 19 -0.184 4.854 -2.139 1.00 0.00 H new ATOM 0 HA SER A 19 -2.674 5.019 -3.549 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.710 6.773 -3.305 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.115 5.863 -4.554 1.00 0.00 H new ATOM 0 HG SER A 19 -2.228 5.972 -5.573 1.00 0.00 H new ATOM 305 N GLU A 20 -0.601 2.824 -4.626 1.00 0.00 N ATOM 306 CA GLU A 20 -0.426 1.774 -5.663 1.00 0.00 C ATOM 307 C GLU A 20 -1.530 0.715 -5.583 1.00 0.00 C ATOM 308 O GLU A 20 -2.183 0.430 -6.563 1.00 0.00 O ATOM 309 CB GLU A 20 0.952 1.089 -5.450 1.00 0.00 C ATOM 310 CG GLU A 20 1.086 -0.129 -6.379 1.00 0.00 C ATOM 311 CD GLU A 20 0.737 0.274 -7.815 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.355 1.219 -8.277 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.130 -0.383 -8.366 1.00 0.00 O ATOM 0 H GLU A 20 -0.001 2.735 -3.806 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.480 2.245 -6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.755 1.799 -5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.055 0.777 -4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.103 -0.519 -6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.424 -0.928 -6.044 1.00 0.00 H new ATOM 320 N TYR A 21 -1.695 0.131 -4.419 1.00 0.00 N ATOM 321 CA TYR A 21 -2.746 -0.915 -4.250 1.00 0.00 C ATOM 322 C TYR A 21 -4.088 -0.331 -3.830 1.00 0.00 C ATOM 323 O TYR A 21 -4.962 -1.045 -3.378 1.00 0.00 O ATOM 324 CB TYR A 21 -2.244 -1.871 -3.153 1.00 0.00 C ATOM 325 CG TYR A 21 -1.350 -2.926 -3.770 1.00 0.00 C ATOM 326 CD1 TYR A 21 -0.017 -2.668 -3.961 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.862 -4.150 -4.133 1.00 0.00 C ATOM 328 CE1 TYR A 21 0.809 -3.625 -4.510 1.00 0.00 C ATOM 329 CE2 TYR A 21 -1.042 -5.113 -4.685 1.00 0.00 C ATOM 330 CZ TYR A 21 0.302 -4.856 -4.878 1.00 0.00 C ATOM 331 OH TYR A 21 1.124 -5.815 -5.430 1.00 0.00 O ATOM 0 H TYR A 21 -1.147 0.335 -3.583 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.908 -1.419 -5.203 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.695 -1.314 -2.394 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.090 -2.343 -2.653 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.389 -1.708 -3.679 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.911 -4.359 -3.985 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.858 -3.411 -4.653 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.452 -6.071 -4.967 1.00 0.00 H new ATOM 0 HH TYR A 21 0.601 -6.620 -5.628 1.00 0.00 H new ATOM 341 N ARG A 22 -4.239 0.933 -3.994 1.00 0.00 N ATOM 342 CA ARG A 22 -5.525 1.563 -3.605 1.00 0.00 C ATOM 343 C ARG A 22 -6.669 1.197 -4.600 1.00 0.00 C ATOM 344 O ARG A 22 -7.730 0.789 -4.178 1.00 0.00 O ATOM 345 CB ARG A 22 -5.332 3.124 -3.539 1.00 0.00 C ATOM 346 CG ARG A 22 -5.565 3.630 -2.096 1.00 0.00 C ATOM 347 CD ARG A 22 -5.672 5.155 -2.113 1.00 0.00 C ATOM 348 NE ARG A 22 -6.040 5.631 -0.751 1.00 0.00 N ATOM 349 CZ ARG A 22 -6.387 6.877 -0.583 1.00 0.00 C ATOM 350 NH1 ARG A 22 -5.492 7.812 -0.768 1.00 0.00 N ATOM 351 NH2 ARG A 22 -7.614 7.149 -0.237 1.00 0.00 N ATOM 0 H ARG A 22 -3.537 1.565 -4.378 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.817 1.184 -2.626 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.326 3.388 -3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.028 3.613 -4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.476 3.193 -1.687 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.744 3.318 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.724 5.595 -2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.422 5.472 -2.838 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.021 4.990 0.042 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.541 7.561 -1.039 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.745 8.792 -0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.285 6.393 -0.102 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.903 8.118 -0.101 1.00 0.00 H new ATOM 365 N PRO A 23 -6.424 1.340 -5.910 1.00 0.00 N ATOM 366 CA PRO A 23 -7.448 1.019 -6.911 1.00 0.00 C ATOM 367 C PRO A 23 -7.687 -0.494 -6.989 1.00 0.00 C ATOM 368 O PRO A 23 -8.792 -0.939 -7.222 1.00 0.00 O ATOM 369 CB PRO A 23 -6.864 1.540 -8.262 1.00 0.00 C ATOM 370 CG PRO A 23 -5.379 1.948 -7.991 1.00 0.00 C ATOM 371 CD PRO A 23 -5.139 1.811 -6.463 1.00 0.00 C ATOM 0 HA PRO A 23 -8.408 1.474 -6.666 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.918 0.767 -9.029 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.438 2.392 -8.627 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.696 1.306 -8.547 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.194 2.971 -8.320 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.337 1.104 -6.252 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.847 2.765 -6.023 1.00 0.00 H new ATOM 379 N LYS A 24 -6.639 -1.249 -6.787 1.00 0.00 N ATOM 380 CA LYS A 24 -6.780 -2.722 -6.845 1.00 0.00 C ATOM 381 C LYS A 24 -7.972 -3.173 -6.027 1.00 0.00 C ATOM 382 O LYS A 24 -8.786 -3.950 -6.481 1.00 0.00 O ATOM 383 CB LYS A 24 -5.502 -3.355 -6.254 1.00 0.00 C ATOM 384 CG LYS A 24 -4.323 -3.172 -7.239 1.00 0.00 C ATOM 385 CD LYS A 24 -4.312 -4.323 -8.260 1.00 0.00 C ATOM 386 CE LYS A 24 -3.198 -4.081 -9.282 1.00 0.00 C ATOM 387 NZ LYS A 24 -2.921 -5.326 -10.049 1.00 0.00 N ATOM 0 H LYS A 24 -5.700 -0.906 -6.586 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.926 -3.031 -7.880 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.264 -2.890 -5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.666 -4.415 -6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.414 -2.217 -7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.380 -3.150 -6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.155 -5.274 -7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.276 -4.387 -8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.489 -3.282 -9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.293 -3.751 -8.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.163 -5.148 -10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.624 -6.078 -9.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.782 -5.624 -10.550 1.00 0.00 H new ATOM 401 N ILE A 25 -8.052 -2.670 -4.825 1.00 0.00 N ATOM 402 CA ILE A 25 -9.177 -3.040 -3.939 1.00 0.00 C ATOM 403 C ILE A 25 -10.303 -2.018 -4.080 1.00 0.00 C ATOM 404 O ILE A 25 -11.419 -2.365 -4.410 1.00 0.00 O ATOM 405 CB ILE A 25 -8.666 -3.054 -2.464 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.417 -2.171 -2.321 1.00 0.00 C ATOM 407 CG2 ILE A 25 -8.280 -4.503 -2.084 1.00 0.00 C ATOM 408 CD1 ILE A 25 -7.117 -1.924 -0.827 1.00 0.00 C ATOM 0 H ILE A 25 -7.380 -2.016 -4.423 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.556 -4.024 -4.213 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.455 -2.675 -1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.563 -2.653 -2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.572 -1.221 -2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.921 -4.526 -1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.153 -5.149 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.493 -4.857 -2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.230 -1.297 -0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.967 -1.423 -0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.942 -2.877 -0.329 1.00 0.00 H new ATOM 420 N LYS A 26 -9.987 -0.773 -3.832 1.00 0.00 N ATOM 421 CA LYS A 26 -11.023 0.278 -3.947 1.00 0.00 C ATOM 422 C LYS A 26 -11.758 0.120 -5.269 1.00 0.00 C ATOM 423 O LYS A 26 -12.882 0.554 -5.424 1.00 0.00 O ATOM 424 CB LYS A 26 -10.328 1.659 -3.897 1.00 0.00 C ATOM 425 CG LYS A 26 -11.384 2.781 -3.803 1.00 0.00 C ATOM 426 CD LYS A 26 -11.860 2.939 -2.352 1.00 0.00 C ATOM 427 CE LYS A 26 -12.706 4.210 -2.244 1.00 0.00 C ATOM 428 NZ LYS A 26 -11.861 5.416 -2.476 1.00 0.00 N ATOM 0 H LYS A 26 -9.060 -0.447 -3.557 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.740 0.193 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.658 1.707 -3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.715 1.799 -4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.960 3.720 -4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.231 2.548 -4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.445 2.070 -2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.005 2.997 -1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.515 4.179 -2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.167 4.265 -1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.283 6.234 -1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.905 5.248 -2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.804 5.609 -3.496 1.00 0.00 H new ATOM 442 N GLY A 27 -11.107 -0.523 -6.196 1.00 0.00 N ATOM 443 CA GLY A 27 -11.738 -0.728 -7.513 1.00 0.00 C ATOM 444 C GLY A 27 -12.965 -1.609 -7.335 1.00 0.00 C ATOM 445 O GLY A 27 -14.078 -1.201 -7.598 1.00 0.00 O ATOM 0 H GLY A 27 -10.169 -0.911 -6.093 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.021 0.230 -7.949 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.034 -1.196 -8.201 1.00 0.00 H new ATOM 449 N GLU A 28 -12.726 -2.808 -6.885 1.00 0.00 N ATOM 450 CA GLU A 28 -13.832 -3.740 -6.672 1.00 0.00 C ATOM 451 C GLU A 28 -14.610 -3.320 -5.436 1.00 0.00 C ATOM 452 O GLU A 28 -15.559 -3.967 -5.036 1.00 0.00 O ATOM 453 CB GLU A 28 -13.233 -5.140 -6.438 1.00 0.00 C ATOM 454 CG GLU A 28 -12.894 -5.780 -7.782 1.00 0.00 C ATOM 455 CD GLU A 28 -12.087 -7.057 -7.540 1.00 0.00 C ATOM 456 OE1 GLU A 28 -11.199 -6.985 -6.705 1.00 0.00 O ATOM 457 OE2 GLU A 28 -12.402 -8.031 -8.202 1.00 0.00 O ATOM 0 H GLU A 28 -11.801 -3.172 -6.658 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.499 -3.745 -7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.337 -5.065 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.942 -5.764 -5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.808 -6.011 -8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.322 -5.084 -8.396 1.00 0.00 H new ATOM 464 N HIS A 29 -14.176 -2.229 -4.850 1.00 0.00 N ATOM 465 CA HIS A 29 -14.843 -1.706 -3.633 1.00 0.00 C ATOM 466 C HIS A 29 -14.982 -0.180 -3.713 1.00 0.00 C ATOM 467 O HIS A 29 -14.349 0.539 -2.965 1.00 0.00 O ATOM 468 CB HIS A 29 -13.938 -2.047 -2.447 1.00 0.00 C ATOM 469 CG HIS A 29 -14.022 -3.545 -2.152 1.00 0.00 C ATOM 470 ND1 HIS A 29 -14.746 -4.057 -1.277 1.00 0.00 N ATOM 471 CD2 HIS A 29 -13.357 -4.604 -2.746 1.00 0.00 C ATOM 472 CE1 HIS A 29 -14.621 -5.316 -1.244 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.750 -5.765 -2.151 1.00 0.00 N ATOM 0 H HIS A 29 -13.380 -1.679 -5.172 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.836 -2.144 -3.531 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.908 -1.767 -2.670 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.241 -1.476 -1.569 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.642 -4.523 -3.551 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.158 -5.955 -0.559 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.457 -6.722 -2.346 1.00 0.00 H new ATOM 481 N PRO A 30 -15.819 0.292 -4.629 1.00 0.00 N ATOM 482 CA PRO A 30 -16.025 1.728 -4.792 1.00 0.00 C ATOM 483 C PRO A 30 -16.706 2.337 -3.553 1.00 0.00 C ATOM 484 O PRO A 30 -17.868 2.694 -3.585 1.00 0.00 O ATOM 485 CB PRO A 30 -16.935 1.857 -6.065 1.00 0.00 C ATOM 486 CG PRO A 30 -17.377 0.406 -6.462 1.00 0.00 C ATOM 487 CD PRO A 30 -16.601 -0.572 -5.541 1.00 0.00 C ATOM 0 HA PRO A 30 -15.085 2.268 -4.905 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.804 2.481 -5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.391 2.331 -6.882 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.453 0.283 -6.336 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.154 0.208 -7.510 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.284 -1.215 -4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.949 -1.225 -6.121 1.00 0.00 H new ATOM 495 N GLY A 31 -15.963 2.439 -2.473 1.00 0.00 N ATOM 496 CA GLY A 31 -16.563 3.023 -1.234 1.00 0.00 C ATOM 497 C GLY A 31 -15.854 2.532 0.042 1.00 0.00 C ATOM 498 O GLY A 31 -16.485 2.377 1.068 1.00 0.00 O ATOM 0 H GLY A 31 -14.988 2.149 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.507 4.110 -1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.620 2.760 -1.185 1.00 0.00 H new ATOM 502 N LEU A 32 -14.566 2.289 -0.032 1.00 0.00 N ATOM 503 CA LEU A 32 -13.866 1.814 1.198 1.00 0.00 C ATOM 504 C LEU A 32 -13.767 2.937 2.210 1.00 0.00 C ATOM 505 O LEU A 32 -13.802 4.102 1.864 1.00 0.00 O ATOM 506 CB LEU A 32 -12.397 1.398 0.865 1.00 0.00 C ATOM 507 CG LEU A 32 -12.295 0.011 0.198 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.808 -0.390 0.191 1.00 0.00 C ATOM 509 CD2 LEU A 32 -13.072 -1.043 1.006 1.00 0.00 C ATOM 0 H LEU A 32 -13.986 2.395 -0.865 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.436 0.972 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.955 2.145 0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.810 1.397 1.783 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.711 0.060 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.697 -1.369 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.235 0.347 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.438 -0.432 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.986 -2.013 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.659 -1.107 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.122 -0.757 1.062 1.00 0.00 H new ATOM 521 N SER A 33 -13.645 2.562 3.450 1.00 0.00 N ATOM 522 CA SER A 33 -13.532 3.566 4.515 1.00 0.00 C ATOM 523 C SER A 33 -12.058 3.848 4.753 1.00 0.00 C ATOM 524 O SER A 33 -11.239 2.958 4.637 1.00 0.00 O ATOM 525 CB SER A 33 -14.153 2.991 5.802 1.00 0.00 C ATOM 526 OG SER A 33 -15.247 2.209 5.342 1.00 0.00 O ATOM 0 H SER A 33 -13.620 1.592 3.764 1.00 0.00 H new ATOM 0 HA SER A 33 -14.048 4.484 4.234 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.435 2.385 6.354 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.484 3.784 6.473 1.00 0.00 H new ATOM 0 HG SER A 33 -15.702 1.801 6.108 1.00 0.00 H new ATOM 532 N ILE A 34 -11.731 5.060 5.071 1.00 0.00 N ATOM 533 CA ILE A 34 -10.299 5.375 5.312 1.00 0.00 C ATOM 534 C ILE A 34 -9.674 4.330 6.218 1.00 0.00 C ATOM 535 O ILE A 34 -8.493 4.048 6.131 1.00 0.00 O ATOM 536 CB ILE A 34 -10.210 6.739 6.001 1.00 0.00 C ATOM 537 CG1 ILE A 34 -10.878 7.834 5.131 1.00 0.00 C ATOM 538 CG2 ILE A 34 -8.719 7.081 6.235 1.00 0.00 C ATOM 539 CD1 ILE A 34 -9.936 8.309 4.001 1.00 0.00 C ATOM 0 H ILE A 34 -12.380 5.840 5.175 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.768 5.385 4.360 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.736 6.699 6.955 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.800 7.445 4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.153 8.682 5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.641 8.051 6.726 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.265 6.317 6.867 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.199 7.116 5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.435 9.077 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.025 8.721 4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.683 7.465 3.360 1.00 0.00 H new ATOM 551 N GLY A 35 -10.480 3.773 7.067 1.00 0.00 N ATOM 552 CA GLY A 35 -9.960 2.741 7.990 1.00 0.00 C ATOM 553 C GLY A 35 -9.744 1.426 7.241 1.00 0.00 C ATOM 554 O GLY A 35 -8.846 0.689 7.548 1.00 0.00 O ATOM 0 H GLY A 35 -11.473 3.987 7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.021 3.076 8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.661 2.590 8.811 1.00 0.00 H new ATOM 558 N ASP A 36 -10.574 1.169 6.260 1.00 0.00 N ATOM 559 CA ASP A 36 -10.427 -0.093 5.488 1.00 0.00 C ATOM 560 C ASP A 36 -9.323 0.009 4.476 1.00 0.00 C ATOM 561 O ASP A 36 -8.567 -0.918 4.273 1.00 0.00 O ATOM 562 CB ASP A 36 -11.749 -0.353 4.732 1.00 0.00 C ATOM 563 CG ASP A 36 -11.909 -1.855 4.478 1.00 0.00 C ATOM 564 OD1 ASP A 36 -10.898 -2.529 4.585 1.00 0.00 O ATOM 565 OD2 ASP A 36 -13.030 -2.241 4.192 1.00 0.00 O ATOM 0 H ASP A 36 -11.339 1.776 5.966 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.191 -0.900 6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.592 0.019 5.314 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.751 0.188 3.786 1.00 0.00 H new ATOM 570 N VAL A 37 -9.250 1.127 3.860 1.00 0.00 N ATOM 571 CA VAL A 37 -8.214 1.315 2.859 1.00 0.00 C ATOM 572 C VAL A 37 -6.863 1.080 3.465 1.00 0.00 C ATOM 573 O VAL A 37 -6.226 0.082 3.226 1.00 0.00 O ATOM 574 CB VAL A 37 -8.278 2.777 2.368 1.00 0.00 C ATOM 575 CG1 VAL A 37 -7.145 3.022 1.380 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.612 3.023 1.676 1.00 0.00 C ATOM 0 H VAL A 37 -9.869 1.924 4.009 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.369 0.615 2.038 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.180 3.453 3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.185 4.053 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.189 2.842 1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.250 2.346 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.657 4.055 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.710 2.350 0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.425 2.840 2.378 1.00 0.00 H new ATOM 586 N ALA A 38 -6.479 1.991 4.267 1.00 0.00 N ATOM 587 CA ALA A 38 -5.177 1.885 4.922 1.00 0.00 C ATOM 588 C ALA A 38 -4.951 0.514 5.582 1.00 0.00 C ATOM 589 O ALA A 38 -3.829 0.055 5.658 1.00 0.00 O ATOM 590 CB ALA A 38 -5.112 2.990 5.965 1.00 0.00 C ATOM 0 H ALA A 38 -7.019 2.823 4.505 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.391 1.988 4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.152 2.948 6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.219 3.958 5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.918 2.857 6.687 1.00 0.00 H new ATOM 596 N LYS A 39 -6.006 -0.126 6.049 1.00 0.00 N ATOM 597 CA LYS A 39 -5.802 -1.455 6.689 1.00 0.00 C ATOM 598 C LYS A 39 -5.453 -2.501 5.639 1.00 0.00 C ATOM 599 O LYS A 39 -4.443 -3.171 5.740 1.00 0.00 O ATOM 600 CB LYS A 39 -7.111 -1.867 7.432 1.00 0.00 C ATOM 601 CG LYS A 39 -7.007 -1.535 8.949 1.00 0.00 C ATOM 602 CD LYS A 39 -6.400 -0.118 9.166 1.00 0.00 C ATOM 603 CE LYS A 39 -6.941 0.482 10.476 1.00 0.00 C ATOM 604 NZ LYS A 39 -8.330 0.989 10.293 1.00 0.00 N ATOM 0 H LYS A 39 -6.969 0.209 6.013 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.978 -1.390 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.963 -1.344 6.997 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.291 -2.934 7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.996 -1.585 9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.388 -2.281 9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.312 -0.180 9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.653 0.529 8.326 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.926 -0.274 11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.293 1.295 10.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.351 2.014 10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.645 0.795 9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.965 0.512 10.965 1.00 0.00 H new ATOM 618 N LYS A 40 -6.290 -2.628 4.658 1.00 0.00 N ATOM 619 CA LYS A 40 -6.013 -3.624 3.601 1.00 0.00 C ATOM 620 C LYS A 40 -4.612 -3.410 3.062 1.00 0.00 C ATOM 621 O LYS A 40 -3.859 -4.341 2.876 1.00 0.00 O ATOM 622 CB LYS A 40 -7.033 -3.434 2.459 1.00 0.00 C ATOM 623 CG LYS A 40 -8.422 -3.904 2.929 1.00 0.00 C ATOM 624 CD LYS A 40 -9.326 -4.109 1.708 1.00 0.00 C ATOM 625 CE LYS A 40 -10.716 -4.560 2.172 1.00 0.00 C ATOM 626 NZ LYS A 40 -11.510 -5.074 1.020 1.00 0.00 N ATOM 0 H LYS A 40 -7.148 -2.089 4.543 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.094 -4.631 4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.073 -2.386 2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.723 -4.001 1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.333 -4.834 3.491 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.860 -3.166 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.403 -3.182 1.140 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.893 -4.856 1.043 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.618 -5.338 2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.239 -3.725 2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.448 -5.375 1.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.619 -4.322 0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.017 -5.884 0.593 1.00 0.00 H new ATOM 640 N LEU A 41 -4.284 -2.179 2.824 1.00 0.00 N ATOM 641 CA LEU A 41 -2.946 -1.881 2.304 1.00 0.00 C ATOM 642 C LEU A 41 -1.929 -2.135 3.368 1.00 0.00 C ATOM 643 O LEU A 41 -0.857 -2.644 3.108 1.00 0.00 O ATOM 644 CB LEU A 41 -2.900 -0.400 1.916 1.00 0.00 C ATOM 645 CG LEU A 41 -4.000 -0.110 0.900 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.896 1.379 0.438 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.859 -1.073 -0.309 1.00 0.00 C ATOM 0 H LEU A 41 -4.889 -1.371 2.969 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.732 -2.511 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.032 0.224 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.926 -0.153 1.495 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.978 -0.268 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.681 1.590 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.013 2.036 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.922 1.551 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.646 -0.864 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.886 -0.928 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.946 -2.104 0.035 1.00 0.00 H new ATOM 659 N GLY A 42 -2.277 -1.779 4.554 1.00 0.00 N ATOM 660 CA GLY A 42 -1.347 -1.993 5.660 1.00 0.00 C ATOM 661 C GLY A 42 -1.100 -3.492 5.813 1.00 0.00 C ATOM 662 O GLY A 42 -0.062 -3.917 6.277 1.00 0.00 O ATOM 0 H GLY A 42 -3.168 -1.348 4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.408 -1.473 5.469 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.757 -1.582 6.583 1.00 0.00 H new ATOM 666 N GLU A 43 -2.084 -4.267 5.405 1.00 0.00 N ATOM 667 CA GLU A 43 -1.960 -5.731 5.501 1.00 0.00 C ATOM 668 C GLU A 43 -1.100 -6.257 4.356 1.00 0.00 C ATOM 669 O GLU A 43 -0.029 -6.785 4.576 1.00 0.00 O ATOM 670 CB GLU A 43 -3.383 -6.335 5.399 1.00 0.00 C ATOM 671 CG GLU A 43 -4.045 -6.327 6.785 1.00 0.00 C ATOM 672 CD GLU A 43 -5.362 -7.105 6.721 1.00 0.00 C ATOM 673 OE1 GLU A 43 -5.914 -7.149 5.633 1.00 0.00 O ATOM 674 OE2 GLU A 43 -5.743 -7.613 7.763 1.00 0.00 O ATOM 0 H GLU A 43 -2.963 -3.931 5.011 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.490 -6.009 6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.984 -5.760 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.330 -7.354 5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.379 -6.777 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.230 -5.302 7.106 1.00 0.00 H new ATOM 681 N MET A 44 -1.586 -6.101 3.145 1.00 0.00 N ATOM 682 CA MET A 44 -0.799 -6.589 1.979 1.00 0.00 C ATOM 683 C MET A 44 0.638 -6.122 2.105 1.00 0.00 C ATOM 684 O MET A 44 1.566 -6.879 1.894 1.00 0.00 O ATOM 685 CB MET A 44 -1.421 -6.004 0.684 1.00 0.00 C ATOM 686 CG MET A 44 -2.592 -6.885 0.249 1.00 0.00 C ATOM 687 SD MET A 44 -3.584 -6.310 -1.148 1.00 0.00 S ATOM 688 CE MET A 44 -4.074 -4.730 -0.425 1.00 0.00 C ATOM 0 H MET A 44 -2.480 -5.663 2.921 1.00 0.00 H new ATOM 0 HA MET A 44 -0.819 -7.678 1.945 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.763 -4.984 0.859 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.671 -5.958 -0.106 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.199 -7.871 0.001 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.255 -7.012 1.105 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.869 -4.286 -1.025 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.433 -4.891 0.592 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.216 -4.057 -0.405 1.00 0.00 H new ATOM 698 N TRP A 45 0.792 -4.879 2.449 1.00 0.00 N ATOM 699 CA TRP A 45 2.149 -4.331 2.603 1.00 0.00 C ATOM 700 C TRP A 45 2.911 -5.174 3.591 1.00 0.00 C ATOM 701 O TRP A 45 3.912 -5.778 3.274 1.00 0.00 O ATOM 702 CB TRP A 45 2.013 -2.918 3.167 1.00 0.00 C ATOM 703 CG TRP A 45 3.382 -2.368 3.547 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.781 -2.192 4.791 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.271 -1.925 2.698 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.973 -1.602 4.662 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.362 -1.391 3.357 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.216 -1.886 1.323 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.380 -0.823 2.645 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.243 -1.317 0.613 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.319 -0.781 1.275 1.00 0.00 C ATOM 0 H TRP A 45 0.032 -4.223 2.629 1.00 0.00 H new ATOM 0 HA TRP A 45 2.673 -4.324 1.647 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.544 -2.268 2.429 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.362 -2.929 4.041 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.265 -2.461 5.701 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.546 -1.331 5.461 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.366 -2.303 0.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.233 -0.407 3.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.205 -1.291 -0.466 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.121 -0.324 0.715 1.00 0.00 H new ATOM 722 N ASN A 46 2.419 -5.189 4.788 1.00 0.00 N ATOM 723 CA ASN A 46 3.082 -5.985 5.840 1.00 0.00 C ATOM 724 C ASN A 46 3.416 -7.372 5.303 1.00 0.00 C ATOM 725 O ASN A 46 4.454 -7.931 5.596 1.00 0.00 O ATOM 726 CB ASN A 46 2.099 -6.132 7.015 1.00 0.00 C ATOM 727 CG ASN A 46 2.097 -4.844 7.841 1.00 0.00 C ATOM 728 OD1 ASN A 46 3.058 -4.102 7.856 1.00 0.00 O ATOM 729 ND2 ASN A 46 1.037 -4.541 8.541 1.00 0.00 N ATOM 0 H ASN A 46 1.584 -4.683 5.084 1.00 0.00 H new ATOM 0 HA ASN A 46 4.000 -5.492 6.159 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.096 -6.338 6.641 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.386 -6.977 7.640 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.020 -3.685 9.096 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.226 -5.160 8.533 1.00 0.00 H new ATOM 736 N ASN A 47 2.512 -7.894 4.518 1.00 0.00 N ATOM 737 CA ASN A 47 2.723 -9.231 3.938 1.00 0.00 C ATOM 738 C ASN A 47 3.676 -9.172 2.741 1.00 0.00 C ATOM 739 O ASN A 47 4.295 -10.158 2.391 1.00 0.00 O ATOM 740 CB ASN A 47 1.362 -9.755 3.466 1.00 0.00 C ATOM 741 CG ASN A 47 0.354 -9.655 4.617 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.718 -9.470 5.762 1.00 0.00 O ATOM 743 ND2 ASN A 47 -0.919 -9.772 4.357 1.00 0.00 N ATOM 0 H ASN A 47 1.635 -7.442 4.258 1.00 0.00 H new ATOM 0 HA ASN A 47 3.165 -9.885 4.690 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.013 -9.176 2.611 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.452 -10.790 3.135 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.602 -9.708 5.112 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.232 -9.927 3.399 1.00 0.00 H new ATOM 750 N THR A 48 3.777 -8.015 2.131 1.00 0.00 N ATOM 751 CA THR A 48 4.682 -7.888 0.959 1.00 0.00 C ATOM 752 C THR A 48 6.086 -8.356 1.307 1.00 0.00 C ATOM 753 O THR A 48 6.700 -7.867 2.237 1.00 0.00 O ATOM 754 CB THR A 48 4.746 -6.413 0.533 1.00 0.00 C ATOM 755 OG1 THR A 48 3.413 -6.050 0.237 1.00 0.00 O ATOM 756 CG2 THR A 48 5.495 -6.250 -0.804 1.00 0.00 C ATOM 0 H THR A 48 3.276 -7.166 2.394 1.00 0.00 H new ATOM 0 HA THR A 48 4.293 -8.507 0.150 1.00 0.00 H new ATOM 0 HB THR A 48 5.233 -5.830 1.314 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.799 -6.691 0.653 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.524 -5.196 -1.079 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.513 -6.625 -0.699 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.979 -6.814 -1.581 1.00 0.00 H new ATOM 764 N ALA A 49 6.568 -9.297 0.553 1.00 0.00 N ATOM 765 CA ALA A 49 7.923 -9.817 0.812 1.00 0.00 C ATOM 766 C ALA A 49 8.959 -8.703 0.743 1.00 0.00 C ATOM 767 O ALA A 49 8.808 -7.755 0.002 1.00 0.00 O ATOM 768 CB ALA A 49 8.249 -10.861 -0.263 1.00 0.00 C ATOM 0 H ALA A 49 6.078 -9.726 -0.232 1.00 0.00 H new ATOM 0 HA ALA A 49 7.951 -10.254 1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.249 -11.260 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.522 -11.671 -0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.209 -10.394 -1.247 1.00 0.00 H new ATOM 774 N ALA A 50 9.994 -8.835 1.523 1.00 0.00 N ATOM 775 CA ALA A 50 11.044 -7.798 1.512 1.00 0.00 C ATOM 776 C ALA A 50 11.554 -7.576 0.092 1.00 0.00 C ATOM 777 O ALA A 50 11.750 -6.455 -0.333 1.00 0.00 O ATOM 778 CB ALA A 50 12.207 -8.281 2.397 1.00 0.00 C ATOM 0 H ALA A 50 10.152 -9.614 2.162 1.00 0.00 H new ATOM 0 HA ALA A 50 10.636 -6.860 1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.996 -7.529 2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.849 -8.440 3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.601 -9.217 2.001 1.00 0.00 H new ATOM 784 N ASP A 51 11.760 -8.653 -0.614 1.00 0.00 N ATOM 785 CA ASP A 51 12.255 -8.535 -2.000 1.00 0.00 C ATOM 786 C ASP A 51 11.315 -7.672 -2.838 1.00 0.00 C ATOM 787 O ASP A 51 11.704 -7.126 -3.852 1.00 0.00 O ATOM 788 CB ASP A 51 12.322 -9.954 -2.610 1.00 0.00 C ATOM 789 CG ASP A 51 13.313 -9.961 -3.777 1.00 0.00 C ATOM 790 OD1 ASP A 51 13.018 -9.279 -4.744 1.00 0.00 O ATOM 791 OD2 ASP A 51 14.311 -10.651 -3.636 1.00 0.00 O ATOM 0 H ASP A 51 11.605 -9.606 -0.285 1.00 0.00 H new ATOM 0 HA ASP A 51 13.239 -8.066 -1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.631 -10.673 -1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.335 -10.260 -2.955 1.00 0.00 H new ATOM 796 N ASP A 52 10.084 -7.566 -2.394 1.00 0.00 N ATOM 797 CA ASP A 52 9.091 -6.743 -3.145 1.00 0.00 C ATOM 798 C ASP A 52 9.022 -5.327 -2.579 1.00 0.00 C ATOM 799 O ASP A 52 8.493 -4.432 -3.206 1.00 0.00 O ATOM 800 CB ASP A 52 7.719 -7.411 -2.999 1.00 0.00 C ATOM 801 CG ASP A 52 7.668 -8.653 -3.889 1.00 0.00 C ATOM 802 OD1 ASP A 52 8.583 -9.451 -3.756 1.00 0.00 O ATOM 803 OD2 ASP A 52 6.720 -8.734 -4.653 1.00 0.00 O ATOM 0 H ASP A 52 9.729 -8.012 -1.548 1.00 0.00 H new ATOM 0 HA ASP A 52 9.388 -6.679 -4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.544 -7.687 -1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.930 -6.714 -3.281 1.00 0.00 H new ATOM 808 N LYS A 53 9.544 -5.155 -1.389 1.00 0.00 N ATOM 809 CA LYS A 53 9.522 -3.806 -0.764 1.00 0.00 C ATOM 810 C LYS A 53 10.701 -2.982 -1.272 1.00 0.00 C ATOM 811 O LYS A 53 10.746 -1.778 -1.116 1.00 0.00 O ATOM 812 CB LYS A 53 9.662 -3.973 0.765 1.00 0.00 C ATOM 813 CG LYS A 53 8.334 -4.481 1.358 1.00 0.00 C ATOM 814 CD LYS A 53 8.317 -4.215 2.868 1.00 0.00 C ATOM 815 CE LYS A 53 6.970 -4.666 3.441 1.00 0.00 C ATOM 816 NZ LYS A 53 6.777 -4.128 4.818 1.00 0.00 N ATOM 0 H LYS A 53 9.981 -5.888 -0.830 1.00 0.00 H new ATOM 0 HA LYS A 53 8.589 -3.301 -1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.464 -4.675 0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.934 -3.021 1.221 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.493 -3.979 0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.220 -5.548 1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.131 -4.753 3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.473 -3.154 3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.161 -4.324 2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.924 -5.755 3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.291 -4.837 5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.703 -3.908 5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.202 -3.262 4.775 1.00 0.00 H new ATOM 830 N GLN A 54 11.630 -3.662 -1.875 1.00 0.00 N ATOM 831 CA GLN A 54 12.824 -2.983 -2.413 1.00 0.00 C ATOM 832 C GLN A 54 12.477 -1.721 -3.259 1.00 0.00 C ATOM 833 O GLN A 54 12.931 -0.647 -2.957 1.00 0.00 O ATOM 834 CB GLN A 54 13.605 -4.016 -3.279 1.00 0.00 C ATOM 835 CG GLN A 54 14.857 -4.501 -2.522 1.00 0.00 C ATOM 836 CD GLN A 54 15.696 -5.390 -3.440 1.00 0.00 C ATOM 837 OE1 GLN A 54 15.446 -5.490 -4.624 1.00 0.00 O ATOM 838 NE2 GLN A 54 16.701 -6.048 -2.934 1.00 0.00 N ATOM 0 H GLN A 54 11.608 -4.672 -2.017 1.00 0.00 H new ATOM 0 HA GLN A 54 13.428 -2.626 -1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.962 -4.864 -3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.896 -3.562 -4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.446 -3.647 -2.187 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.564 -5.055 -1.630 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.915 -5.967 -1.940 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.274 -6.644 -3.532 1.00 0.00 H new ATOM 847 N PRO A 55 11.680 -1.867 -4.310 1.00 0.00 N ATOM 848 CA PRO A 55 11.328 -0.715 -5.136 1.00 0.00 C ATOM 849 C PRO A 55 10.884 0.479 -4.305 1.00 0.00 C ATOM 850 O PRO A 55 11.275 1.597 -4.559 1.00 0.00 O ATOM 851 CB PRO A 55 10.146 -1.211 -6.025 1.00 0.00 C ATOM 852 CG PRO A 55 10.027 -2.757 -5.814 1.00 0.00 C ATOM 853 CD PRO A 55 11.060 -3.146 -4.724 1.00 0.00 C ATOM 0 HA PRO A 55 12.188 -0.373 -5.712 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.218 -0.712 -5.745 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.329 -0.979 -7.074 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.018 -3.027 -5.503 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.228 -3.290 -6.743 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.577 -3.642 -3.882 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.806 -3.838 -5.116 1.00 0.00 H new ATOM 861 N TYR A 56 10.093 0.213 -3.332 1.00 0.00 N ATOM 862 CA TYR A 56 9.602 1.311 -2.471 1.00 0.00 C ATOM 863 C TYR A 56 10.690 1.916 -1.598 1.00 0.00 C ATOM 864 O TYR A 56 10.941 3.104 -1.668 1.00 0.00 O ATOM 865 CB TYR A 56 8.508 0.747 -1.585 1.00 0.00 C ATOM 866 CG TYR A 56 7.312 0.403 -2.457 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.543 1.403 -2.980 1.00 0.00 C ATOM 868 CD2 TYR A 56 6.967 -0.904 -2.697 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.427 1.112 -3.732 1.00 0.00 C ATOM 870 CE2 TYR A 56 5.853 -1.208 -3.450 1.00 0.00 C ATOM 871 CZ TYR A 56 5.071 -0.199 -3.974 1.00 0.00 C ATOM 872 OH TYR A 56 3.950 -0.497 -4.725 1.00 0.00 O ATOM 0 H TYR A 56 9.758 -0.719 -3.087 1.00 0.00 H new ATOM 0 HA TYR A 56 9.238 2.111 -3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.864 -0.141 -1.062 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.225 1.473 -0.823 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.813 2.433 -2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.574 -1.701 -2.292 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.827 1.914 -4.135 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.591 -2.240 -3.631 1.00 0.00 H new ATOM 0 HH TYR A 56 3.852 -1.470 -4.795 1.00 0.00 H new ATOM 882 N GLU A 57 11.322 1.116 -0.790 1.00 0.00 N ATOM 883 CA GLU A 57 12.382 1.692 0.067 1.00 0.00 C ATOM 884 C GLU A 57 13.438 2.321 -0.813 1.00 0.00 C ATOM 885 O GLU A 57 13.929 3.402 -0.552 1.00 0.00 O ATOM 886 CB GLU A 57 12.984 0.559 0.943 1.00 0.00 C ATOM 887 CG GLU A 57 14.031 -0.238 0.171 1.00 0.00 C ATOM 888 CD GLU A 57 14.427 -1.471 0.988 1.00 0.00 C ATOM 889 OE1 GLU A 57 15.305 -1.309 1.822 1.00 0.00 O ATOM 890 OE2 GLU A 57 13.832 -2.504 0.735 1.00 0.00 O ATOM 0 H GLU A 57 11.155 0.115 -0.688 1.00 0.00 H new ATOM 0 HA GLU A 57 11.976 2.463 0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.436 0.988 1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.189 -0.108 1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.634 -0.541 -0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.907 0.381 -0.023 1.00 0.00 H new ATOM 897 N LYS A 58 13.756 1.615 -1.833 1.00 0.00 N ATOM 898 CA LYS A 58 14.773 2.099 -2.788 1.00 0.00 C ATOM 899 C LYS A 58 14.381 3.473 -3.306 1.00 0.00 C ATOM 900 O LYS A 58 15.210 4.350 -3.444 1.00 0.00 O ATOM 901 CB LYS A 58 14.827 1.099 -3.974 1.00 0.00 C ATOM 902 CG LYS A 58 15.919 1.521 -4.981 1.00 0.00 C ATOM 903 CD LYS A 58 17.319 1.344 -4.347 1.00 0.00 C ATOM 904 CE LYS A 58 18.366 1.189 -5.459 1.00 0.00 C ATOM 905 NZ LYS A 58 18.345 2.371 -6.366 1.00 0.00 N ATOM 0 H LYS A 58 13.352 0.706 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 58 15.745 2.171 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.033 0.095 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.858 1.062 -4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.842 0.920 -5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.772 2.560 -5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.559 2.205 -3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.329 0.468 -3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.357 1.078 -5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.167 0.282 -6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.207 2.378 -6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.511 2.319 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.302 3.242 -5.800 1.00 0.00 H new ATOM 919 N LYS A 59 13.117 3.634 -3.584 1.00 0.00 N ATOM 920 CA LYS A 59 12.647 4.925 -4.088 1.00 0.00 C ATOM 921 C LYS A 59 12.921 6.007 -3.068 1.00 0.00 C ATOM 922 O LYS A 59 13.549 7.006 -3.360 1.00 0.00 O ATOM 923 CB LYS A 59 11.130 4.812 -4.302 1.00 0.00 C ATOM 924 CG LYS A 59 10.647 5.974 -5.168 1.00 0.00 C ATOM 925 CD LYS A 59 9.112 5.974 -5.193 1.00 0.00 C ATOM 926 CE LYS A 59 8.602 4.812 -6.060 1.00 0.00 C ATOM 927 NZ LYS A 59 7.166 5.010 -6.400 1.00 0.00 N ATOM 0 H LYS A 59 12.399 2.917 -3.479 1.00 0.00 H new ATOM 0 HA LYS A 59 13.159 5.178 -5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.890 3.863 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.615 4.823 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.017 6.919 -4.771 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.040 5.878 -6.180 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.723 5.880 -4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.746 6.922 -5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.193 4.745 -6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.730 3.869 -5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.835 4.217 -6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.605 5.052 -5.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.053 5.900 -6.926 1.00 0.00 H new ATOM 941 N ALA A 60 12.442 5.783 -1.883 1.00 0.00 N ATOM 942 CA ALA A 60 12.651 6.774 -0.815 1.00 0.00 C ATOM 943 C ALA A 60 14.134 7.106 -0.659 1.00 0.00 C ATOM 944 O ALA A 60 14.483 8.173 -0.194 1.00 0.00 O ATOM 945 CB ALA A 60 12.135 6.186 0.506 1.00 0.00 C ATOM 0 H ALA A 60 11.914 4.953 -1.612 1.00 0.00 H new ATOM 0 HA ALA A 60 12.115 7.687 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.283 6.909 1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.073 5.959 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.682 5.272 0.736 1.00 0.00 H new ATOM 951 N ALA A 61 14.984 6.185 -1.039 1.00 0.00 N ATOM 952 CA ALA A 61 16.433 6.446 -0.914 1.00 0.00 C ATOM 953 C ALA A 61 16.908 7.410 -1.984 1.00 0.00 C ATOM 954 O ALA A 61 17.821 8.183 -1.768 1.00 0.00 O ATOM 955 CB ALA A 61 17.184 5.113 -1.073 1.00 0.00 C ATOM 0 H ALA A 61 14.732 5.275 -1.426 1.00 0.00 H new ATOM 0 HA ALA A 61 16.629 6.891 0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.256 5.287 -0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.863 4.419 -0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.966 4.687 -2.052 1.00 0.00 H new ATOM 961 N LYS A 62 16.285 7.349 -3.117 1.00 0.00 N ATOM 962 CA LYS A 62 16.676 8.243 -4.208 1.00 0.00 C ATOM 963 C LYS A 62 16.257 9.677 -3.909 1.00 0.00 C ATOM 964 O LYS A 62 17.032 10.599 -4.071 1.00 0.00 O ATOM 965 CB LYS A 62 15.962 7.758 -5.486 1.00 0.00 C ATOM 966 CG LYS A 62 16.745 6.576 -6.109 1.00 0.00 C ATOM 967 CD LYS A 62 17.881 7.109 -7.001 1.00 0.00 C ATOM 968 CE LYS A 62 18.521 5.936 -7.750 1.00 0.00 C ATOM 969 NZ LYS A 62 19.615 6.420 -8.638 1.00 0.00 N ATOM 0 H LYS A 62 15.517 6.711 -3.329 1.00 0.00 H new ATOM 0 HA LYS A 62 17.759 8.226 -4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.944 7.447 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.887 8.575 -6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.156 5.945 -5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 62 16.072 5.953 -6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.492 7.840 -7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 62 18.628 7.620 -6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.917 5.213 -7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.766 5.419 -8.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.039 5.613 -9.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.228 7.093 -9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 20.343 6.893 -8.066 1.00 0.00 H new ATOM 983 N LEU A 63 15.037 9.845 -3.476 1.00 0.00 N ATOM 984 CA LEU A 63 14.563 11.206 -3.167 1.00 0.00 C ATOM 985 C LEU A 63 15.192 11.738 -1.878 1.00 0.00 C ATOM 986 O LEU A 63 15.154 12.925 -1.623 1.00 0.00 O ATOM 987 CB LEU A 63 13.020 11.175 -3.033 1.00 0.00 C ATOM 988 CG LEU A 63 12.607 10.481 -1.709 1.00 0.00 C ATOM 989 CD1 LEU A 63 12.725 11.477 -0.489 1.00 0.00 C ATOM 990 CD2 LEU A 63 11.149 9.988 -1.842 1.00 0.00 C ATOM 0 H LEU A 63 14.358 9.098 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 63 14.859 11.875 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 63 12.626 12.191 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.585 10.644 -3.880 1.00 0.00 H new ATOM 0 HG LEU A 63 13.275 9.640 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.430 10.966 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.756 11.820 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.071 12.333 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.845 9.497 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.494 10.838 -2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.078 9.281 -2.668 1.00 0.00 H new ATOM 1002 N LYS A 64 15.758 10.860 -1.078 1.00 0.00 N ATOM 1003 CA LYS A 64 16.379 11.352 0.180 1.00 0.00 C ATOM 1004 C LYS A 64 17.590 12.203 -0.148 1.00 0.00 C ATOM 1005 O LYS A 64 17.778 13.261 0.413 1.00 0.00 O ATOM 1006 CB LYS A 64 16.821 10.152 1.040 1.00 0.00 C ATOM 1007 CG LYS A 64 17.119 10.641 2.469 1.00 0.00 C ATOM 1008 CD LYS A 64 17.242 9.433 3.404 1.00 0.00 C ATOM 1009 CE LYS A 64 18.345 8.496 2.898 1.00 0.00 C ATOM 1010 NZ LYS A 64 18.797 7.590 3.991 1.00 0.00 N ATOM 0 H LYS A 64 15.813 9.855 -1.241 1.00 0.00 H new ATOM 0 HA LYS A 64 15.651 11.949 0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 64 16.039 9.393 1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.707 9.686 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 64 18.042 11.221 2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.323 11.302 2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.471 9.767 4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.292 8.900 3.451 1.00 0.00 H new ATOM 0 HE2 LYS A 64 17.975 7.907 2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.188 9.081 2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 19.544 6.961 3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.169 8.156 4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.994 7.019 4.323 1.00 0.00 H new ATOM 1024 N GLU A 65 18.406 11.727 -1.051 1.00 0.00 N ATOM 1025 CA GLU A 65 19.589 12.502 -1.415 1.00 0.00 C ATOM 1026 C GLU A 65 19.156 13.887 -1.865 1.00 0.00 C ATOM 1027 O GLU A 65 19.793 14.876 -1.563 1.00 0.00 O ATOM 1028 CB GLU A 65 20.286 11.786 -2.575 1.00 0.00 C ATOM 1029 CG GLU A 65 20.907 10.483 -2.064 1.00 0.00 C ATOM 1030 CD GLU A 65 21.747 9.848 -3.176 1.00 0.00 C ATOM 1031 OE1 GLU A 65 22.850 10.333 -3.365 1.00 0.00 O ATOM 1032 OE2 GLU A 65 21.237 8.913 -3.772 1.00 0.00 O ATOM 0 H GLU A 65 18.291 10.839 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 65 20.265 12.594 -0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 65 19.571 11.574 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 65 21.057 12.427 -3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 65 21.530 10.682 -1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 65 20.124 9.794 -1.747 1.00 0.00 H new ATOM 1039 N LYS A 66 18.062 13.923 -2.584 1.00 0.00 N ATOM 1040 CA LYS A 66 17.547 15.217 -3.073 1.00 0.00 C ATOM 1041 C LYS A 66 17.093 16.071 -1.904 1.00 0.00 C ATOM 1042 O LYS A 66 17.292 17.266 -1.882 1.00 0.00 O ATOM 1043 CB LYS A 66 16.334 14.936 -3.987 1.00 0.00 C ATOM 1044 CG LYS A 66 15.684 16.284 -4.454 1.00 0.00 C ATOM 1045 CD LYS A 66 14.404 16.566 -3.642 1.00 0.00 C ATOM 1046 CE LYS A 66 13.800 17.895 -4.104 1.00 0.00 C ATOM 1047 NZ LYS A 66 14.595 19.037 -3.575 1.00 0.00 N ATOM 0 H LYS A 66 17.510 13.107 -2.848 1.00 0.00 H new ATOM 0 HA LYS A 66 18.331 15.745 -3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 66 16.650 14.356 -4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 66 15.598 14.335 -3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 66 16.393 17.102 -4.325 1.00 0.00 H new ATOM 0 HG3 LYS A 66 15.446 16.233 -5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.685 15.758 -3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.635 16.608 -2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.777 17.933 -5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.768 17.972 -3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.093 19.927 -3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.724 18.925 -2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.525 19.058 -4.040 1.00 0.00 H new ATOM 1061 N TYR A 67 16.477 15.434 -0.963 1.00 0.00 N ATOM 1062 CA TYR A 67 15.987 16.165 0.234 1.00 0.00 C ATOM 1063 C TYR A 67 17.134 16.846 0.957 1.00 0.00 C ATOM 1064 O TYR A 67 17.345 18.023 0.811 1.00 0.00 O ATOM 1065 CB TYR A 67 15.349 15.144 1.187 1.00 0.00 C ATOM 1066 CG TYR A 67 14.767 15.849 2.417 1.00 0.00 C ATOM 1067 CD1 TYR A 67 13.581 16.531 2.323 1.00 0.00 C ATOM 1068 CD2 TYR A 67 15.364 15.720 3.663 1.00 0.00 C ATOM 1069 CE1 TYR A 67 12.984 17.059 3.448 1.00 0.00 C ATOM 1070 CE2 TYR A 67 14.765 16.252 4.786 1.00 0.00 C ATOM 1071 CZ TYR A 67 13.571 16.927 4.684 1.00 0.00 C ATOM 1072 OH TYR A 67 12.971 17.465 5.807 1.00 0.00 O ATOM 0 H TYR A 67 16.288 14.432 -0.966 1.00 0.00 H new ATOM 0 HA TYR A 67 15.269 16.923 -0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 67 14.562 14.596 0.669 1.00 0.00 H new ATOM 0 HB3 TYR A 67 16.095 14.413 1.499 1.00 0.00 H new ATOM 0 HD1 TYR A 67 13.110 16.656 1.359 1.00 0.00 H new ATOM 0 HD2 TYR A 67 16.305 15.199 3.754 1.00 0.00 H new ATOM 0 HE1 TYR A 67 12.044 17.583 3.357 1.00 0.00 H new ATOM 0 HE2 TYR A 67 15.236 16.138 5.751 1.00 0.00 H new ATOM 0 HH TYR A 67 13.523 17.276 6.595 1.00 0.00 H new ATOM 1082 N GLU A 68 17.867 16.077 1.713 1.00 0.00 N ATOM 1083 CA GLU A 68 19.007 16.629 2.469 1.00 0.00 C ATOM 1084 C GLU A 68 19.881 17.556 1.631 1.00 0.00 C ATOM 1085 O GLU A 68 20.750 18.228 2.152 1.00 0.00 O ATOM 1086 CB GLU A 68 19.845 15.446 2.943 1.00 0.00 C ATOM 1087 CG GLU A 68 19.108 14.715 4.088 1.00 0.00 C ATOM 1088 CD GLU A 68 20.108 13.849 4.863 1.00 0.00 C ATOM 1089 OE1 GLU A 68 20.987 13.317 4.205 1.00 0.00 O ATOM 1090 OE2 GLU A 68 19.935 13.770 6.067 1.00 0.00 O ATOM 0 H GLU A 68 17.716 15.076 1.836 1.00 0.00 H new ATOM 0 HA GLU A 68 18.622 17.226 3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.024 14.759 2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 68 20.820 15.792 3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.642 15.439 4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.309 14.094 3.683 1.00 0.00 H new ATOM 1097 N LYS A 69 19.645 17.578 0.369 1.00 0.00 N ATOM 1098 CA LYS A 69 20.462 18.457 -0.499 1.00 0.00 C ATOM 1099 C LYS A 69 20.264 19.938 -0.158 1.00 0.00 C ATOM 1100 O LYS A 69 21.220 20.666 0.029 1.00 0.00 O ATOM 1101 CB LYS A 69 20.047 18.244 -1.964 1.00 0.00 C ATOM 1102 CG LYS A 69 21.112 18.870 -2.868 1.00 0.00 C ATOM 1103 CD LYS A 69 20.767 18.593 -4.332 1.00 0.00 C ATOM 1104 CE LYS A 69 21.666 19.454 -5.226 1.00 0.00 C ATOM 1105 NZ LYS A 69 21.286 19.303 -6.659 1.00 0.00 N ATOM 0 H LYS A 69 18.927 17.031 -0.106 1.00 0.00 H new ATOM 0 HA LYS A 69 21.509 18.199 -0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 69 19.947 17.180 -2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 69 19.075 18.700 -2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 69 21.166 19.945 -2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 69 22.093 18.459 -2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 69 20.910 17.537 -4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 69 19.718 18.821 -4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 69 21.585 20.500 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 69 22.708 19.164 -5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 21.907 19.894 -7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 21.387 18.307 -6.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 20.298 19.602 -6.790 1.00 0.00 H new ATOM 1119 N ASP A 70 19.022 20.356 -0.085 1.00 0.00 N ATOM 1120 CA ASP A 70 18.730 21.785 0.238 1.00 0.00 C ATOM 1121 C ASP A 70 18.417 21.991 1.727 1.00 0.00 C ATOM 1122 O ASP A 70 18.636 23.058 2.266 1.00 0.00 O ATOM 1123 CB ASP A 70 17.494 22.181 -0.583 1.00 0.00 C ATOM 1124 CG ASP A 70 17.899 22.410 -2.042 1.00 0.00 C ATOM 1125 OD1 ASP A 70 18.964 22.975 -2.228 1.00 0.00 O ATOM 1126 OD2 ASP A 70 17.118 22.008 -2.890 1.00 0.00 O ATOM 0 H ASP A 70 18.201 19.769 -0.235 1.00 0.00 H new ATOM 0 HA ASP A 70 19.604 22.392 0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.739 21.397 -0.523 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.047 23.086 -0.173 1.00 0.00 H new ATOM 1131 N ILE A 71 17.917 20.972 2.354 1.00 0.00 N ATOM 1132 CA ILE A 71 17.585 21.076 3.777 1.00 0.00 C ATOM 1133 C ILE A 71 18.827 21.468 4.551 1.00 0.00 C ATOM 1134 O ILE A 71 18.749 22.117 5.566 1.00 0.00 O ATOM 1135 CB ILE A 71 17.128 19.691 4.255 1.00 0.00 C ATOM 1136 CG1 ILE A 71 16.012 19.025 3.348 1.00 0.00 C ATOM 1137 CG2 ILE A 71 16.559 19.809 5.664 1.00 0.00 C ATOM 1138 CD1 ILE A 71 15.516 19.908 2.175 1.00 0.00 C ATOM 0 H ILE A 71 17.725 20.065 1.929 1.00 0.00 H new ATOM 0 HA ILE A 71 16.805 21.821 3.932 1.00 0.00 H new ATOM 0 HB ILE A 71 18.013 19.056 4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 71 16.403 18.092 2.942 1.00 0.00 H new ATOM 0 HG13 ILE A 71 15.159 18.767 3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 71 16.233 18.827 6.008 1.00 0.00 H new ATOM 0 HG22 ILE A 71 17.327 20.192 6.336 1.00 0.00 H new ATOM 0 HG23 ILE A 71 15.709 20.492 5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 71 14.754 19.369 1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 71 15.091 20.831 2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 71 16.353 20.145 1.519 1.00 0.00 H new ATOM 1150 N ALA A 72 19.966 21.038 4.054 1.00 0.00 N ATOM 1151 CA ALA A 72 21.246 21.373 4.743 1.00 0.00 C ATOM 1152 C ALA A 72 21.214 22.812 5.234 1.00 0.00 C ATOM 1153 O ALA A 72 21.576 23.099 6.357 1.00 0.00 O ATOM 1154 CB ALA A 72 22.398 21.214 3.739 1.00 0.00 C ATOM 0 H ALA A 72 20.059 20.475 3.209 1.00 0.00 H new ATOM 0 HA ALA A 72 21.385 20.708 5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 72 23.342 21.455 4.227 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.428 20.185 3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 72 22.242 21.888 2.897 1.00 0.00 H new ATOM 1160 N ALA A 73 20.774 23.690 4.377 1.00 0.00 N ATOM 1161 CA ALA A 73 20.705 25.100 4.767 1.00 0.00 C ATOM 1162 C ALA A 73 19.658 25.256 5.858 1.00 0.00 C ATOM 1163 O ALA A 73 19.819 26.027 6.783 1.00 0.00 O ATOM 1164 CB ALA A 73 20.284 25.925 3.542 1.00 0.00 C ATOM 0 H ALA A 73 20.463 23.480 3.429 1.00 0.00 H new ATOM 0 HA ALA A 73 21.673 25.441 5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 73 20.228 26.979 3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 73 21.017 25.795 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 73 19.308 25.588 3.194 1.00 0.00 H new ATOM 1170 N TYR A 74 18.594 24.506 5.721 1.00 0.00 N ATOM 1171 CA TYR A 74 17.514 24.569 6.720 1.00 0.00 C ATOM 1172 C TYR A 74 18.044 24.137 8.076 1.00 0.00 C ATOM 1173 O TYR A 74 19.142 24.489 8.456 1.00 0.00 O ATOM 1174 CB TYR A 74 16.389 23.593 6.272 1.00 0.00 C ATOM 1175 CG TYR A 74 15.060 23.843 7.011 1.00 0.00 C ATOM 1176 CD1 TYR A 74 14.923 24.746 8.078 1.00 0.00 C ATOM 1177 CD2 TYR A 74 13.964 23.165 6.581 1.00 0.00 C ATOM 1178 CE1 TYR A 74 13.689 24.939 8.666 1.00 0.00 C ATOM 1179 CE2 TYR A 74 12.725 23.366 7.175 1.00 0.00 C ATOM 1180 CZ TYR A 74 12.584 24.252 8.220 1.00 0.00 C ATOM 1181 OH TYR A 74 11.353 24.444 8.812 1.00 0.00 O ATOM 0 H TYR A 74 18.437 23.854 4.953 1.00 0.00 H new ATOM 0 HA TYR A 74 17.131 25.587 6.798 1.00 0.00 H new ATOM 0 HB2 TYR A 74 16.229 23.697 5.199 1.00 0.00 H new ATOM 0 HB3 TYR A 74 16.711 22.567 6.449 1.00 0.00 H new ATOM 0 HD1 TYR A 74 15.784 25.290 8.439 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.058 22.461 5.767 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.590 25.637 9.485 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.864 22.823 6.814 1.00 0.00 H new ATOM 0 HH TYR A 74 11.408 25.189 9.446 1.00 0.00 H new ATOM 1191 N ARG A 75 17.252 23.385 8.776 1.00 0.00 N ATOM 1192 CA ARG A 75 17.676 22.902 10.121 1.00 0.00 C ATOM 1193 C ARG A 75 19.148 22.487 10.110 1.00 0.00 C ATOM 1194 O ARG A 75 19.511 21.500 9.501 1.00 0.00 O ATOM 1195 CB ARG A 75 16.820 21.674 10.484 1.00 0.00 C ATOM 1196 CG ARG A 75 15.426 22.132 10.915 1.00 0.00 C ATOM 1197 CD ARG A 75 14.653 20.926 11.454 1.00 0.00 C ATOM 1198 NE ARG A 75 13.282 21.359 11.841 1.00 0.00 N ATOM 1199 CZ ARG A 75 12.458 20.490 12.357 1.00 0.00 C ATOM 1200 NH1 ARG A 75 12.727 19.986 13.529 1.00 0.00 N ATOM 1201 NH2 ARG A 75 11.393 20.151 11.682 1.00 0.00 N ATOM 0 H ARG A 75 16.325 23.080 8.478 1.00 0.00 H new ATOM 0 HA ARG A 75 17.544 23.704 10.847 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.745 21.004 9.628 1.00 0.00 H new ATOM 0 HB3 ARG A 75 17.294 21.112 11.288 1.00 0.00 H new ATOM 0 HG2 ARG A 75 15.503 22.904 11.681 1.00 0.00 H new ATOM 0 HG3 ARG A 75 14.896 22.573 10.071 1.00 0.00 H new ATOM 0 HD2 ARG A 75 14.600 20.144 10.696 1.00 0.00 H new ATOM 0 HD3 ARG A 75 15.170 20.502 12.315 1.00 0.00 H new ATOM 0 HE ARG A 75 12.990 22.327 11.704 1.00 0.00 H new ATOM 0 HH11 ARG A 75 13.570 20.273 14.026 1.00 0.00 H new ATOM 0 HH12 ARG A 75 12.094 19.305 13.949 1.00 0.00 H new ATOM 0 HH21 ARG A 75 11.216 20.564 10.766 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.738 19.473 12.070 1.00 0.00 H new ATOM 1215 N ALA A 76 19.966 23.246 10.782 1.00 0.00 N ATOM 1216 CA ALA A 76 21.395 22.909 10.813 1.00 0.00 C ATOM 1217 C ALA A 76 22.133 23.754 11.846 1.00 0.00 C ATOM 1218 O ALA A 76 22.959 24.578 11.504 1.00 0.00 O ATOM 1219 CB ALA A 76 21.975 23.194 9.420 1.00 0.00 C ATOM 0 H ALA A 76 19.699 24.079 11.306 1.00 0.00 H new ATOM 0 HA ALA A 76 21.516 21.860 11.084 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.038 22.953 9.412 1.00 0.00 H new ATOM 0 HB2 ALA A 76 21.459 22.584 8.679 1.00 0.00 H new ATOM 0 HB3 ALA A 76 21.841 24.248 9.179 1.00 0.00 H new ATOM 1225 N LYS A 77 21.821 23.531 13.093 1.00 0.00 N ATOM 1226 CA LYS A 77 22.492 24.308 14.163 1.00 0.00 C ATOM 1227 C LYS A 77 22.236 23.678 15.528 1.00 0.00 C ATOM 1228 O LYS A 77 21.473 22.726 15.550 1.00 0.00 O ATOM 1229 CB LYS A 77 21.922 25.736 14.158 1.00 0.00 C ATOM 1230 CG LYS A 77 20.391 25.671 14.197 1.00 0.00 C ATOM 1231 CD LYS A 77 19.829 27.088 14.365 1.00 0.00 C ATOM 1232 CE LYS A 77 18.313 27.011 14.569 1.00 0.00 C ATOM 1233 NZ LYS A 77 17.711 28.374 14.539 1.00 0.00 N ATOM 1234 OXT LYS A 77 22.817 24.183 16.474 1.00 0.00 O ATOM 0 H LYS A 77 21.134 22.848 13.412 1.00 0.00 H new ATOM 0 HA LYS A 77 23.566 24.317 13.978 1.00 0.00 H new ATOM 0 HB2 LYS A 77 22.296 26.292 15.018 1.00 0.00 H new ATOM 0 HB3 LYS A 77 22.252 26.268 13.266 1.00 0.00 H new ATOM 0 HG2 LYS A 77 20.011 25.223 13.279 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.063 25.037 15.021 1.00 0.00 H new ATOM 0 HD2 LYS A 77 20.298 27.579 15.218 1.00 0.00 H new ATOM 0 HD3 LYS A 77 20.059 27.689 13.485 1.00 0.00 H new ATOM 0 HE2 LYS A 77 17.867 26.393 13.790 1.00 0.00 H new ATOM 0 HE3 LYS A 77 18.093 26.531 15.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 16.683 28.303 14.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 18.124 28.953 15.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 17.905 28.819 13.619 1.00 0.00 H new TER 1248 LYS A 77