USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 475 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 2 SER OG : rot 10:sc= 0.889 USER MOD Single : A 4 LYS NZ :NH3+ -161:sc= -0.258 (180deg=-0.966) USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= -0.619 (180deg=-0.999) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0555) USER MOD Single : A 13 ASN : amide:sc= -6.29! K(o=-6.3!,f=0.82) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 95:sc= 0.0789 USER MOD Single : A 31 SER OG : rot -82:sc= 0.543! USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0649 USER MOD Single : A 36 GLN : amide:sc= -10.2! C(o=-10!,f=-5.6!) USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -0.0204 (180deg=-0.186) USER MOD Single : A 51 ASN : amide:sc= -1.28! K(o=-1.3!,f=-1.9) USER MOD Single : A 55 ASN : amide:sc= -10.5! C(o=-11!,f=-9.1!) USER MOD Single : A 60 THR OG1 : rot -84:sc= 0.761 USER MOD Single : A 61 SER OG : rot -175:sc= -1.88! USER MOD Single : A 62 CYS SG : rot -84:sc= -4.24! USER MOD ----------------------------------------------------------------- ATOM 11 N SER A 2 -8.586 -9.502 1.795 1.00 0.00 N ATOM 12 CA SER A 2 -8.874 -8.256 2.563 1.00 0.00 C ATOM 13 C SER A 2 -7.921 -7.151 2.114 1.00 0.00 C ATOM 14 O SER A 2 -7.612 -6.247 2.865 1.00 0.00 O ATOM 15 CB SER A 2 -8.671 -8.518 4.059 1.00 0.00 C ATOM 16 OG SER A 2 -8.456 -9.908 4.266 1.00 0.00 O ATOM 0 HA SER A 2 -9.904 -7.950 2.381 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.819 -7.947 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.544 -8.185 4.620 1.00 0.00 H new ATOM 0 HG SER A 2 -8.333 -10.352 3.401 1.00 0.00 H new ATOM 22 N ALA A 3 -7.448 -7.207 0.903 1.00 0.00 N ATOM 23 CA ALA A 3 -6.517 -6.149 0.439 1.00 0.00 C ATOM 24 C ALA A 3 -7.310 -4.918 0.018 1.00 0.00 C ATOM 25 O ALA A 3 -6.857 -3.800 0.153 1.00 0.00 O ATOM 26 CB ALA A 3 -5.705 -6.656 -0.743 1.00 0.00 C ATOM 0 H ALA A 3 -7.664 -7.933 0.220 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.842 -5.887 1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.024 -5.874 -1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.131 -7.532 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.377 -6.925 -1.558 1.00 0.00 H new ATOM 32 N LYS A 4 -8.502 -5.103 -0.464 1.00 0.00 N ATOM 33 CA LYS A 4 -9.317 -3.927 -0.849 1.00 0.00 C ATOM 34 C LYS A 4 -9.888 -3.359 0.448 1.00 0.00 C ATOM 35 O LYS A 4 -10.026 -2.164 0.619 1.00 0.00 O ATOM 36 CB LYS A 4 -10.431 -4.370 -1.809 1.00 0.00 C ATOM 37 CG LYS A 4 -11.493 -3.270 -1.953 1.00 0.00 C ATOM 38 CD LYS A 4 -10.955 -2.149 -2.849 1.00 0.00 C ATOM 39 CE LYS A 4 -11.998 -1.035 -2.965 1.00 0.00 C ATOM 40 NZ LYS A 4 -13.362 -1.631 -3.028 1.00 0.00 N ATOM 0 H LYS A 4 -8.944 -6.011 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.730 -3.168 -1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.006 -4.602 -2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.895 -5.284 -1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.405 -3.685 -2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.754 -2.872 -0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.029 -1.751 -2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.718 -2.543 -3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.923 -0.363 -2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.809 -0.438 -3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.027 -0.935 -3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.344 -2.475 -3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.668 -1.900 -2.071 1.00 0.00 H new ATOM 54 N ARG A 5 -10.196 -4.229 1.372 1.00 0.00 N ATOM 55 CA ARG A 5 -10.732 -3.783 2.685 1.00 0.00 C ATOM 56 C ARG A 5 -9.657 -2.972 3.411 1.00 0.00 C ATOM 57 O ARG A 5 -9.897 -1.877 3.879 1.00 0.00 O ATOM 58 CB ARG A 5 -11.081 -5.018 3.522 1.00 0.00 C ATOM 59 CG ARG A 5 -12.198 -4.679 4.514 1.00 0.00 C ATOM 60 CD ARG A 5 -12.543 -5.918 5.350 1.00 0.00 C ATOM 61 NE ARG A 5 -14.029 -6.095 5.416 1.00 0.00 N ATOM 62 CZ ARG A 5 -14.819 -5.080 5.651 1.00 0.00 C ATOM 63 NH1 ARG A 5 -14.322 -3.904 5.916 1.00 0.00 N ATOM 64 NH2 ARG A 5 -16.113 -5.252 5.645 1.00 0.00 N ATOM 0 H ARG A 5 -10.097 -5.239 1.270 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.621 -3.170 2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.397 -5.832 2.870 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.198 -5.365 4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.883 -3.865 5.167 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.081 -4.334 3.977 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.082 -6.803 4.911 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.136 -5.813 6.356 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.431 -7.022 5.275 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.311 -3.771 5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.944 -3.117 6.098 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -16.504 -6.175 5.458 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -16.733 -4.463 5.828 1.00 0.00 H new ATOM 78 N VAL A 6 -8.466 -3.507 3.505 1.00 0.00 N ATOM 79 CA VAL A 6 -7.374 -2.768 4.196 1.00 0.00 C ATOM 80 C VAL A 6 -7.162 -1.439 3.465 1.00 0.00 C ATOM 81 O VAL A 6 -6.992 -0.394 4.069 1.00 0.00 O ATOM 82 CB VAL A 6 -6.087 -3.624 4.183 1.00 0.00 C ATOM 83 CG1 VAL A 6 -5.268 -3.364 2.926 1.00 0.00 C ATOM 84 CG2 VAL A 6 -5.238 -3.293 5.415 1.00 0.00 C ATOM 0 H VAL A 6 -8.206 -4.421 3.133 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.634 -2.568 5.236 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.377 -4.675 4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.369 -3.980 2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.862 -3.614 2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.987 -2.312 2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.331 -3.897 5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.971 -2.236 5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.808 -3.510 6.319 1.00 0.00 H new ATOM 94 N PHE A 7 -7.200 -1.472 2.165 1.00 0.00 N ATOM 95 CA PHE A 7 -7.028 -0.215 1.390 1.00 0.00 C ATOM 96 C PHE A 7 -8.058 0.807 1.877 1.00 0.00 C ATOM 97 O PHE A 7 -7.739 1.949 2.141 1.00 0.00 O ATOM 98 CB PHE A 7 -7.248 -0.472 -0.103 1.00 0.00 C ATOM 99 CG PHE A 7 -7.389 0.852 -0.806 1.00 0.00 C ATOM 100 CD1 PHE A 7 -8.617 1.530 -0.784 1.00 0.00 C ATOM 101 CD2 PHE A 7 -6.294 1.416 -1.457 1.00 0.00 C ATOM 102 CE1 PHE A 7 -8.744 2.766 -1.417 1.00 0.00 C ATOM 103 CE2 PHE A 7 -6.427 2.654 -2.084 1.00 0.00 C ATOM 104 CZ PHE A 7 -7.648 3.329 -2.065 1.00 0.00 C ATOM 0 H PHE A 7 -7.342 -2.313 1.606 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.015 0.160 1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.410 -1.032 -0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.142 -1.077 -0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -9.465 1.094 -0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.347 0.897 -1.476 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.691 3.285 -1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.579 3.094 -2.588 1.00 0.00 H new ATOM 0 HZ PHE A 7 -7.743 4.288 -2.553 1.00 0.00 H new ATOM 114 N GLU A 8 -9.294 0.402 1.996 1.00 0.00 N ATOM 115 CA GLU A 8 -10.349 1.344 2.463 1.00 0.00 C ATOM 116 C GLU A 8 -9.916 1.964 3.789 1.00 0.00 C ATOM 117 O GLU A 8 -9.965 3.161 3.974 1.00 0.00 O ATOM 118 CB GLU A 8 -11.662 0.582 2.659 1.00 0.00 C ATOM 119 CG GLU A 8 -12.162 0.054 1.310 1.00 0.00 C ATOM 120 CD GLU A 8 -13.020 1.121 0.624 1.00 0.00 C ATOM 121 OE1 GLU A 8 -12.501 2.196 0.370 1.00 0.00 O ATOM 122 OE2 GLU A 8 -14.179 0.845 0.367 1.00 0.00 O ATOM 0 H GLU A 8 -9.618 -0.543 1.789 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.495 2.130 1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.512 -0.246 3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.411 1.238 3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.316 -0.209 0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.745 -0.855 1.458 1.00 0.00 H new ATOM 129 N LYS A 9 -9.509 1.150 4.719 1.00 0.00 N ATOM 130 CA LYS A 9 -9.090 1.691 6.040 1.00 0.00 C ATOM 131 C LYS A 9 -8.075 2.817 5.831 1.00 0.00 C ATOM 132 O LYS A 9 -8.091 3.810 6.531 1.00 0.00 O ATOM 133 CB LYS A 9 -8.463 0.562 6.874 1.00 0.00 C ATOM 134 CG LYS A 9 -9.439 0.127 7.975 1.00 0.00 C ATOM 135 CD LYS A 9 -10.727 -0.428 7.345 1.00 0.00 C ATOM 136 CE LYS A 9 -10.724 -1.958 7.416 1.00 0.00 C ATOM 137 NZ LYS A 9 -9.518 -2.485 6.716 1.00 0.00 N ATOM 0 H LYS A 9 -9.448 0.136 4.623 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.956 2.088 6.569 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.222 -0.286 6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.527 0.902 7.318 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.975 -0.633 8.604 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.675 0.974 8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.598 -0.033 7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.804 -0.103 6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.726 -2.285 8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.628 -2.356 6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.614 -3.512 6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.426 -2.024 5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.671 -2.287 7.286 1.00 0.00 H new ATOM 151 N PHE A 10 -7.188 2.680 4.877 1.00 0.00 N ATOM 152 CA PHE A 10 -6.185 3.763 4.651 1.00 0.00 C ATOM 153 C PHE A 10 -6.663 4.748 3.603 1.00 0.00 C ATOM 154 O PHE A 10 -6.076 5.798 3.463 1.00 0.00 O ATOM 155 CB PHE A 10 -4.859 3.166 4.231 1.00 0.00 C ATOM 156 CG PHE A 10 -4.270 2.444 5.419 1.00 0.00 C ATOM 157 CD1 PHE A 10 -3.520 3.157 6.362 1.00 0.00 C ATOM 158 CD2 PHE A 10 -4.486 1.072 5.591 1.00 0.00 C ATOM 159 CE1 PHE A 10 -2.983 2.498 7.475 1.00 0.00 C ATOM 160 CE2 PHE A 10 -3.952 0.413 6.705 1.00 0.00 C ATOM 161 CZ PHE A 10 -3.199 1.127 7.645 1.00 0.00 C ATOM 0 H PHE A 10 -7.116 1.876 4.253 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.058 4.302 5.590 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.999 2.477 3.398 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.182 3.948 3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.355 4.216 6.231 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.065 0.521 4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.403 3.048 8.201 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.121 -0.645 6.839 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.784 0.618 8.503 1.00 0.00 H new ATOM 171 N ASP A 11 -7.712 4.462 2.867 1.00 0.00 N ATOM 172 CA ASP A 11 -8.169 5.464 1.864 1.00 0.00 C ATOM 173 C ASP A 11 -8.163 6.829 2.549 1.00 0.00 C ATOM 174 O ASP A 11 -9.183 7.385 2.904 1.00 0.00 O ATOM 175 CB ASP A 11 -9.580 5.123 1.374 1.00 0.00 C ATOM 176 CG ASP A 11 -10.572 5.235 2.534 1.00 0.00 C ATOM 177 OD1 ASP A 11 -10.128 5.435 3.654 1.00 0.00 O ATOM 178 OD2 ASP A 11 -11.761 5.117 2.284 1.00 0.00 O ATOM 0 H ASP A 11 -8.256 3.601 2.917 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.509 5.466 0.997 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.869 5.799 0.570 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.598 4.113 0.964 1.00 0.00 H new ATOM 183 N LYS A 12 -6.995 7.350 2.728 1.00 0.00 N ATOM 184 CA LYS A 12 -6.826 8.665 3.386 1.00 0.00 C ATOM 185 C LYS A 12 -7.072 9.761 2.355 1.00 0.00 C ATOM 186 O LYS A 12 -7.216 10.924 2.676 1.00 0.00 O ATOM 187 CB LYS A 12 -5.403 8.716 3.936 1.00 0.00 C ATOM 188 CG LYS A 12 -4.648 9.939 3.421 1.00 0.00 C ATOM 189 CD LYS A 12 -3.249 9.929 4.034 1.00 0.00 C ATOM 190 CE LYS A 12 -2.275 10.683 3.123 1.00 0.00 C ATOM 191 NZ LYS A 12 -2.654 12.123 3.071 1.00 0.00 N ATOM 0 H LYS A 12 -6.123 6.908 2.438 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.532 8.811 4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.433 8.738 5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.869 7.810 3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.586 9.917 2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.175 10.853 3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.271 10.393 5.020 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.910 8.902 4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.256 10.578 3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.293 10.255 2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.903 12.663 2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.544 12.229 2.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.780 12.484 4.038 1.00 0.00 H new ATOM 205 N ASN A 13 -7.166 9.372 1.119 1.00 0.00 N ATOM 206 CA ASN A 13 -7.454 10.347 0.027 1.00 0.00 C ATOM 207 C ASN A 13 -8.795 9.967 -0.614 1.00 0.00 C ATOM 208 O ASN A 13 -9.135 10.434 -1.682 1.00 0.00 O ATOM 209 CB ASN A 13 -6.344 10.281 -1.023 1.00 0.00 C ATOM 210 CG ASN A 13 -5.982 8.819 -1.294 1.00 0.00 C ATOM 211 OD1 ASN A 13 -4.860 8.516 -1.651 1.00 0.00 O ATOM 212 ND2 ASN A 13 -6.888 7.896 -1.138 1.00 0.00 N ATOM 0 H ASN A 13 -7.054 8.406 0.810 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.502 11.360 0.427 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.672 10.762 -1.945 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.466 10.825 -0.674 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.656 6.919 -1.315 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.829 8.151 -0.838 1.00 0.00 H new ATOM 219 N LYS A 14 -9.548 9.118 0.048 1.00 0.00 N ATOM 220 CA LYS A 14 -10.875 8.677 -0.498 1.00 0.00 C ATOM 221 C LYS A 14 -10.828 8.811 -2.016 1.00 0.00 C ATOM 222 O LYS A 14 -11.680 9.411 -2.642 1.00 0.00 O ATOM 223 CB LYS A 14 -11.983 9.559 0.070 1.00 0.00 C ATOM 224 CG LYS A 14 -11.682 9.882 1.536 1.00 0.00 C ATOM 225 CD LYS A 14 -12.948 10.415 2.217 1.00 0.00 C ATOM 226 CE LYS A 14 -13.714 9.262 2.870 1.00 0.00 C ATOM 227 NZ LYS A 14 -14.909 9.801 3.582 1.00 0.00 N ATOM 0 H LYS A 14 -9.299 8.709 0.949 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.078 7.643 -0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.060 10.480 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.944 9.051 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.329 8.988 2.051 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.884 10.622 1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.682 11.158 2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.582 10.916 1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.023 8.541 2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.068 8.732 3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.431 9.019 4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.603 10.473 4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.528 10.288 2.902 1.00 0.00 H new ATOM 241 N ASP A 15 -9.786 8.288 -2.582 1.00 0.00 N ATOM 242 CA ASP A 15 -9.583 8.401 -4.042 1.00 0.00 C ATOM 243 C ASP A 15 -9.700 7.046 -4.707 1.00 0.00 C ATOM 244 O ASP A 15 -10.013 6.969 -5.878 1.00 0.00 O ATOM 245 CB ASP A 15 -8.190 8.980 -4.316 1.00 0.00 C ATOM 246 CG ASP A 15 -8.215 10.501 -4.140 1.00 0.00 C ATOM 247 OD1 ASP A 15 -9.291 11.039 -3.938 1.00 0.00 O ATOM 248 OD2 ASP A 15 -7.156 11.102 -4.211 1.00 0.00 O ATOM 0 H ASP A 15 -9.055 7.779 -2.086 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.351 9.058 -4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.462 8.538 -3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.874 8.727 -5.328 1.00 0.00 H new ATOM 253 N GLY A 16 -9.402 5.966 -4.034 1.00 0.00 N ATOM 254 CA GLY A 16 -9.454 4.659 -4.725 1.00 0.00 C ATOM 255 C GLY A 16 -8.031 4.358 -5.118 1.00 0.00 C ATOM 256 O GLY A 16 -7.749 3.507 -5.938 1.00 0.00 O ATOM 0 H GLY A 16 -9.130 5.938 -3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.853 3.884 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.103 4.703 -5.600 1.00 0.00 H new ATOM 260 N LYS A 17 -7.128 5.059 -4.482 1.00 0.00 N ATOM 261 CA LYS A 17 -5.691 4.865 -4.711 1.00 0.00 C ATOM 262 C LYS A 17 -4.947 5.249 -3.461 1.00 0.00 C ATOM 263 O LYS A 17 -5.370 6.082 -2.684 1.00 0.00 O ATOM 264 CB LYS A 17 -5.178 5.729 -5.840 1.00 0.00 C ATOM 265 CG LYS A 17 -5.825 5.333 -7.176 1.00 0.00 C ATOM 266 CD LYS A 17 -7.010 6.261 -7.467 1.00 0.00 C ATOM 267 CE LYS A 17 -6.493 7.589 -8.030 1.00 0.00 C ATOM 268 NZ LYS A 17 -6.392 7.494 -9.513 1.00 0.00 N ATOM 0 H LYS A 17 -7.349 5.778 -3.793 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.533 3.819 -4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.390 6.777 -5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.095 5.632 -5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.092 5.399 -7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.162 4.297 -7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.687 5.791 -8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.580 6.438 -6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.165 8.401 -7.752 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.518 7.822 -7.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.041 8.395 -9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.734 6.730 -9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.330 7.290 -9.913 1.00 0.00 H new ATOM 282 N LEU A 18 -3.834 4.630 -3.273 1.00 0.00 N ATOM 283 CA LEU A 18 -3.013 4.907 -2.087 1.00 0.00 C ATOM 284 C LEU A 18 -1.673 5.448 -2.480 1.00 0.00 C ATOM 285 O LEU A 18 -1.177 5.214 -3.550 1.00 0.00 O ATOM 286 CB LEU A 18 -2.818 3.652 -1.319 1.00 0.00 C ATOM 287 CG LEU A 18 -3.580 3.743 -0.027 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.085 3.974 -0.216 1.00 0.00 C ATOM 289 CD2 LEU A 18 -3.303 2.457 0.686 1.00 0.00 C ATOM 0 H LEU A 18 -3.450 3.928 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.528 5.649 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.164 2.798 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.758 3.494 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.254 4.612 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.570 4.029 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.245 4.908 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.511 3.149 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.828 2.450 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.648 1.622 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.231 2.361 0.860 1.00 0.00 H new ATOM 301 N SER A 19 -1.083 6.146 -1.583 1.00 0.00 N ATOM 302 CA SER A 19 0.248 6.718 -1.819 1.00 0.00 C ATOM 303 C SER A 19 1.243 5.924 -1.010 1.00 0.00 C ATOM 304 O SER A 19 0.905 5.337 -0.001 1.00 0.00 O ATOM 305 CB SER A 19 0.266 8.158 -1.339 1.00 0.00 C ATOM 306 OG SER A 19 -0.918 8.816 -1.773 1.00 0.00 O ATOM 0 H SER A 19 -1.478 6.352 -0.665 1.00 0.00 H new ATOM 0 HA SER A 19 0.494 6.684 -2.880 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.335 8.190 -0.252 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.145 8.672 -1.729 1.00 0.00 H new ATOM 0 HG SER A 19 -1.592 8.779 -1.063 1.00 0.00 H new ATOM 312 N LEU A 20 2.463 5.907 -1.421 1.00 0.00 N ATOM 313 CA LEU A 20 3.461 5.160 -0.648 1.00 0.00 C ATOM 314 C LEU A 20 3.314 5.614 0.780 1.00 0.00 C ATOM 315 O LEU A 20 3.659 4.944 1.720 1.00 0.00 O ATOM 316 CB LEU A 20 4.836 5.521 -1.181 1.00 0.00 C ATOM 317 CG LEU A 20 5.905 4.588 -0.627 1.00 0.00 C ATOM 318 CD1 LEU A 20 6.531 5.202 0.610 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.325 3.224 -0.260 1.00 0.00 C ATOM 0 H LEU A 20 2.811 6.377 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 20 3.330 4.080 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.832 5.468 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.074 6.550 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 20 6.656 4.449 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.295 4.531 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.986 6.158 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.763 5.359 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.117 2.585 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.552 3.349 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.892 2.762 -1.147 1.00 0.00 H new ATOM 331 N ASP A 21 2.725 6.741 0.906 1.00 0.00 N ATOM 332 CA ASP A 21 2.446 7.304 2.242 1.00 0.00 C ATOM 333 C ASP A 21 1.398 6.427 2.948 1.00 0.00 C ATOM 334 O ASP A 21 1.556 6.100 4.106 1.00 0.00 O ATOM 335 CB ASP A 21 1.919 8.735 2.102 1.00 0.00 C ATOM 336 CG ASP A 21 2.655 9.440 0.962 1.00 0.00 C ATOM 337 OD1 ASP A 21 3.790 9.074 0.700 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.074 10.333 0.370 1.00 0.00 O ATOM 0 H ASP A 21 2.413 7.318 0.125 1.00 0.00 H new ATOM 0 HA ASP A 21 3.363 7.323 2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.847 8.721 1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.064 9.280 3.035 1.00 0.00 H new ATOM 343 N GLU A 22 0.317 6.037 2.289 1.00 0.00 N ATOM 344 CA GLU A 22 -0.693 5.199 2.984 1.00 0.00 C ATOM 345 C GLU A 22 -0.175 3.768 3.120 1.00 0.00 C ATOM 346 O GLU A 22 -0.320 3.142 4.150 1.00 0.00 O ATOM 347 CB GLU A 22 -1.986 5.197 2.183 1.00 0.00 C ATOM 348 CG GLU A 22 -2.807 6.444 2.516 1.00 0.00 C ATOM 349 CD GLU A 22 -2.054 7.687 2.042 1.00 0.00 C ATOM 350 OE1 GLU A 22 -1.194 8.150 2.772 1.00 0.00 O ATOM 351 OE2 GLU A 22 -2.352 8.157 0.955 1.00 0.00 O ATOM 0 H GLU A 22 0.106 6.266 1.318 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.878 5.609 3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.763 5.172 1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.563 4.300 2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.783 6.390 2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.985 6.500 3.590 1.00 0.00 H new ATOM 358 N PHE A 23 0.441 3.252 2.091 1.00 0.00 N ATOM 359 CA PHE A 23 0.987 1.882 2.151 1.00 0.00 C ATOM 360 C PHE A 23 2.210 1.892 3.083 1.00 0.00 C ATOM 361 O PHE A 23 2.560 0.888 3.663 1.00 0.00 O ATOM 362 CB PHE A 23 1.397 1.438 0.764 1.00 0.00 C ATOM 363 CG PHE A 23 2.078 0.091 0.818 1.00 0.00 C ATOM 364 CD1 PHE A 23 1.407 -1.016 1.351 1.00 0.00 C ATOM 365 CD2 PHE A 23 3.379 -0.051 0.333 1.00 0.00 C ATOM 366 CE1 PHE A 23 2.041 -2.262 1.397 1.00 0.00 C ATOM 367 CE2 PHE A 23 4.016 -1.297 0.377 1.00 0.00 C ATOM 368 CZ PHE A 23 3.346 -2.404 0.911 1.00 0.00 C ATOM 0 H PHE A 23 0.587 3.734 1.204 1.00 0.00 H new ATOM 0 HA PHE A 23 0.235 1.190 2.530 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.520 1.383 0.120 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.070 2.174 0.324 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.400 -0.908 1.727 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.896 0.803 -0.078 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.523 -3.116 1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.022 -1.404 -0.000 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.835 -3.366 0.948 1.00 0.00 H new ATOM 378 N ARG A 24 2.847 3.037 3.256 1.00 0.00 N ATOM 379 CA ARG A 24 4.019 3.129 4.187 1.00 0.00 C ATOM 380 C ARG A 24 3.479 3.242 5.610 1.00 0.00 C ATOM 381 O ARG A 24 4.055 2.746 6.552 1.00 0.00 O ATOM 382 CB ARG A 24 4.859 4.362 3.851 1.00 0.00 C ATOM 383 CG ARG A 24 5.933 4.550 4.917 1.00 0.00 C ATOM 384 CD ARG A 24 6.948 5.595 4.457 1.00 0.00 C ATOM 385 NE ARG A 24 6.393 6.959 4.684 1.00 0.00 N ATOM 386 CZ ARG A 24 7.183 7.998 4.653 1.00 0.00 C ATOM 387 NH1 ARG A 24 8.457 7.841 4.424 1.00 0.00 N ATOM 388 NH2 ARG A 24 6.698 9.194 4.852 1.00 0.00 N ATOM 0 H ARG A 24 2.601 3.910 2.789 1.00 0.00 H new ATOM 0 HA ARG A 24 4.651 2.246 4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.321 4.245 2.871 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.223 5.246 3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.475 4.864 5.855 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.436 3.602 5.109 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.883 5.475 5.004 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.177 5.455 3.401 1.00 0.00 H new ATOM 0 HE ARG A 24 5.396 7.081 4.864 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.836 6.907 4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.075 8.652 4.400 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.702 9.317 5.032 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.316 10.005 4.828 1.00 0.00 H new ATOM 402 N GLU A 25 2.328 3.833 5.743 1.00 0.00 N ATOM 403 CA GLU A 25 1.684 3.916 7.082 1.00 0.00 C ATOM 404 C GLU A 25 1.156 2.510 7.330 1.00 0.00 C ATOM 405 O GLU A 25 1.216 1.960 8.410 1.00 0.00 O ATOM 406 CB GLU A 25 0.531 4.931 7.052 1.00 0.00 C ATOM 407 CG GLU A 25 0.799 6.054 8.059 1.00 0.00 C ATOM 408 CD GLU A 25 1.960 6.919 7.562 1.00 0.00 C ATOM 409 OE1 GLU A 25 2.803 6.396 6.854 1.00 0.00 O ATOM 410 OE2 GLU A 25 1.986 8.090 7.902 1.00 0.00 O ATOM 0 H GLU A 25 1.803 4.263 4.982 1.00 0.00 H new ATOM 0 HA GLU A 25 2.370 4.245 7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.427 5.347 6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.409 4.434 7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.095 6.664 8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.038 5.632 9.035 1.00 0.00 H new ATOM 417 N VAL A 26 0.678 1.941 6.270 1.00 0.00 N ATOM 418 CA VAL A 26 0.150 0.556 6.243 1.00 0.00 C ATOM 419 C VAL A 26 1.278 -0.414 6.543 1.00 0.00 C ATOM 420 O VAL A 26 1.134 -1.384 7.260 1.00 0.00 O ATOM 421 CB VAL A 26 -0.268 0.337 4.791 1.00 0.00 C ATOM 422 CG1 VAL A 26 -0.059 -1.101 4.325 1.00 0.00 C ATOM 423 CG2 VAL A 26 -1.703 0.735 4.567 1.00 0.00 C ATOM 0 H VAL A 26 0.629 2.410 5.365 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.657 0.408 6.961 1.00 0.00 H new ATOM 0 HB VAL A 26 0.382 0.978 4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.374 -1.196 3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.996 -1.361 4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.650 -1.774 4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.969 0.567 3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.351 0.136 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.830 1.790 4.808 1.00 0.00 H new ATOM 433 N ALA A 27 2.389 -0.157 5.929 1.00 0.00 N ATOM 434 CA ALA A 27 3.559 -1.043 6.071 1.00 0.00 C ATOM 435 C ALA A 27 4.238 -0.791 7.414 1.00 0.00 C ATOM 436 O ALA A 27 4.750 -1.689 8.050 1.00 0.00 O ATOM 437 CB ALA A 27 4.532 -0.761 4.922 1.00 0.00 C ATOM 0 H ALA A 27 2.536 0.649 5.321 1.00 0.00 H new ATOM 0 HA ALA A 27 3.244 -2.086 6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.403 -1.410 5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.036 -0.953 3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.850 0.281 4.962 1.00 0.00 H new ATOM 443 N LEU A 28 4.242 0.434 7.837 1.00 0.00 N ATOM 444 CA LEU A 28 4.885 0.774 9.133 1.00 0.00 C ATOM 445 C LEU A 28 3.931 0.434 10.273 1.00 0.00 C ATOM 446 O LEU A 28 4.348 0.113 11.369 1.00 0.00 O ATOM 447 CB LEU A 28 5.198 2.269 9.184 1.00 0.00 C ATOM 448 CG LEU A 28 6.551 2.573 8.511 1.00 0.00 C ATOM 449 CD1 LEU A 28 6.805 1.632 7.322 1.00 0.00 C ATOM 450 CD2 LEU A 28 6.549 4.022 8.017 1.00 0.00 C ATOM 0 H LEU A 28 3.826 1.222 7.340 1.00 0.00 H new ATOM 0 HA LEU A 28 5.809 0.204 9.232 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.406 2.827 8.685 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.220 2.605 10.221 1.00 0.00 H new ATOM 0 HG LEU A 28 7.344 2.421 9.243 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.767 1.871 6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.815 0.599 7.671 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.014 1.758 6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.503 4.245 7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.742 4.160 7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.400 4.694 8.862 1.00 0.00 H new ATOM 462 N ALA A 29 2.652 0.516 10.035 1.00 0.00 N ATOM 463 CA ALA A 29 1.663 0.218 11.105 1.00 0.00 C ATOM 464 C ALA A 29 1.500 -1.293 11.322 1.00 0.00 C ATOM 465 O ALA A 29 1.715 -1.799 12.406 1.00 0.00 O ATOM 466 CB ALA A 29 0.319 0.804 10.674 1.00 0.00 C ATOM 0 H ALA A 29 2.247 0.779 9.137 1.00 0.00 H new ATOM 0 HA ALA A 29 2.012 0.654 12.041 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.429 0.601 11.440 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.418 1.881 10.540 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.008 0.348 9.734 1.00 0.00 H new ATOM 472 N PHE A 30 1.083 -2.007 10.310 1.00 0.00 N ATOM 473 CA PHE A 30 0.861 -3.476 10.464 1.00 0.00 C ATOM 474 C PHE A 30 2.193 -4.226 10.493 1.00 0.00 C ATOM 475 O PHE A 30 2.426 -5.059 11.346 1.00 0.00 O ATOM 476 CB PHE A 30 0.021 -3.985 9.291 1.00 0.00 C ATOM 477 CG PHE A 30 -0.526 -5.355 9.617 1.00 0.00 C ATOM 478 CD1 PHE A 30 0.262 -6.492 9.408 1.00 0.00 C ATOM 479 CD2 PHE A 30 -1.822 -5.486 10.128 1.00 0.00 C ATOM 480 CE1 PHE A 30 -0.245 -7.761 9.711 1.00 0.00 C ATOM 481 CE2 PHE A 30 -2.330 -6.756 10.431 1.00 0.00 C ATOM 482 CZ PHE A 30 -1.541 -7.893 10.222 1.00 0.00 C ATOM 0 H PHE A 30 0.886 -1.636 9.381 1.00 0.00 H new ATOM 0 HA PHE A 30 0.340 -3.653 11.405 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.797 -3.294 9.090 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.629 -4.031 8.388 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.262 -6.391 9.013 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.431 -4.608 10.289 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.364 -8.638 9.550 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.330 -6.858 10.826 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.932 -8.872 10.455 1.00 0.00 H new ATOM 492 N SER A 31 3.067 -3.941 9.568 1.00 0.00 N ATOM 493 CA SER A 31 4.386 -4.640 9.537 1.00 0.00 C ATOM 494 C SER A 31 5.497 -3.603 9.720 1.00 0.00 C ATOM 495 O SER A 31 6.243 -3.313 8.806 1.00 0.00 O ATOM 496 CB SER A 31 4.547 -5.350 8.190 1.00 0.00 C ATOM 497 OG SER A 31 5.903 -5.284 7.771 1.00 0.00 O ATOM 0 H SER A 31 2.926 -3.252 8.829 1.00 0.00 H new ATOM 0 HA SER A 31 4.443 -5.378 10.337 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.234 -6.390 8.277 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.903 -4.885 7.444 1.00 0.00 H new ATOM 0 HG SER A 31 6.074 -4.415 7.352 1.00 0.00 H new ATOM 503 N PRO A 32 5.602 -3.040 10.897 1.00 0.00 N ATOM 504 CA PRO A 32 6.633 -2.011 11.203 1.00 0.00 C ATOM 505 C PRO A 32 8.028 -2.450 10.763 1.00 0.00 C ATOM 506 O PRO A 32 8.925 -1.643 10.622 1.00 0.00 O ATOM 507 CB PRO A 32 6.567 -1.837 12.732 1.00 0.00 C ATOM 508 CG PRO A 32 5.650 -2.909 13.238 1.00 0.00 C ATOM 509 CD PRO A 32 4.761 -3.318 12.066 1.00 0.00 C ATOM 0 HA PRO A 32 6.442 -1.081 10.667 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.558 -1.931 13.177 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.192 -0.848 12.995 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.219 -3.762 13.608 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.049 -2.542 14.070 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.481 -4.370 12.120 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.835 -2.743 12.042 1.00 0.00 H new ATOM 517 N TYR A 33 8.226 -3.722 10.550 1.00 0.00 N ATOM 518 CA TYR A 33 9.567 -4.200 10.127 1.00 0.00 C ATOM 519 C TYR A 33 9.755 -3.954 8.626 1.00 0.00 C ATOM 520 O TYR A 33 10.798 -4.244 8.075 1.00 0.00 O ATOM 521 CB TYR A 33 9.691 -5.700 10.425 1.00 0.00 C ATOM 522 CG TYR A 33 8.747 -6.071 11.547 1.00 0.00 C ATOM 523 CD1 TYR A 33 8.987 -5.607 12.846 1.00 0.00 C ATOM 524 CD2 TYR A 33 7.631 -6.877 11.286 1.00 0.00 C ATOM 525 CE1 TYR A 33 8.112 -5.949 13.885 1.00 0.00 C ATOM 526 CE2 TYR A 33 6.757 -7.219 12.326 1.00 0.00 C ATOM 527 CZ TYR A 33 6.997 -6.755 13.623 1.00 0.00 C ATOM 528 OH TYR A 33 6.135 -7.093 14.647 1.00 0.00 O ATOM 0 H TYR A 33 7.517 -4.448 10.651 1.00 0.00 H new ATOM 0 HA TYR A 33 10.335 -3.656 10.677 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.457 -6.280 9.532 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.717 -5.943 10.703 1.00 0.00 H new ATOM 0 HD1 TYR A 33 9.847 -4.985 13.047 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.445 -7.234 10.284 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.297 -5.591 14.887 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.897 -7.841 12.126 1.00 0.00 H new ATOM 0 HH TYR A 33 5.414 -7.655 14.295 1.00 0.00 H new ATOM 538 N PHE A 34 8.767 -3.419 7.955 1.00 0.00 N ATOM 539 CA PHE A 34 8.938 -3.167 6.496 1.00 0.00 C ATOM 540 C PHE A 34 9.999 -2.118 6.309 1.00 0.00 C ATOM 541 O PHE A 34 9.914 -1.022 6.826 1.00 0.00 O ATOM 542 CB PHE A 34 7.638 -2.648 5.846 1.00 0.00 C ATOM 543 CG PHE A 34 6.914 -3.750 5.112 1.00 0.00 C ATOM 544 CD1 PHE A 34 7.572 -4.482 4.117 1.00 0.00 C ATOM 545 CD2 PHE A 34 5.582 -4.036 5.426 1.00 0.00 C ATOM 546 CE1 PHE A 34 6.898 -5.504 3.442 1.00 0.00 C ATOM 547 CE2 PHE A 34 4.905 -5.057 4.749 1.00 0.00 C ATOM 548 CZ PHE A 34 5.564 -5.793 3.757 1.00 0.00 C ATOM 0 H PHE A 34 7.865 -3.150 8.347 1.00 0.00 H new ATOM 0 HA PHE A 34 9.212 -4.110 6.023 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.987 -2.231 6.614 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.873 -1.840 5.153 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.599 -4.258 3.871 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.075 -3.468 6.192 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.406 -6.071 2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.876 -5.277 4.992 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.044 -6.583 3.235 1.00 0.00 H new ATOM 558 N THR A 35 10.998 -2.439 5.561 1.00 0.00 N ATOM 559 CA THR A 35 12.051 -1.451 5.335 1.00 0.00 C ATOM 560 C THR A 35 11.571 -0.468 4.295 1.00 0.00 C ATOM 561 O THR A 35 10.909 -0.815 3.340 1.00 0.00 O ATOM 562 CB THR A 35 13.320 -2.144 4.866 1.00 0.00 C ATOM 563 OG1 THR A 35 13.081 -3.539 4.728 1.00 0.00 O ATOM 564 CG2 THR A 35 14.385 -1.904 5.912 1.00 0.00 C ATOM 0 H THR A 35 11.127 -3.340 5.100 1.00 0.00 H new ATOM 0 HA THR A 35 12.275 -0.923 6.262 1.00 0.00 H new ATOM 0 HB THR A 35 13.639 -1.752 3.900 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.900 -3.983 4.424 1.00 0.00 H new ATOM 0 HG21 THR A 35 15.312 -2.389 5.606 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.555 -0.833 6.019 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.057 -2.317 6.866 1.00 0.00 H new ATOM 572 N GLN A 36 11.893 0.760 4.488 1.00 0.00 N ATOM 573 CA GLN A 36 11.458 1.794 3.540 1.00 0.00 C ATOM 574 C GLN A 36 11.891 1.418 2.129 1.00 0.00 C ATOM 575 O GLN A 36 11.253 1.771 1.169 1.00 0.00 O ATOM 576 CB GLN A 36 12.107 3.101 3.952 1.00 0.00 C ATOM 577 CG GLN A 36 11.409 4.275 3.257 1.00 0.00 C ATOM 578 CD GLN A 36 9.890 4.148 3.383 1.00 0.00 C ATOM 579 OE1 GLN A 36 9.382 3.758 4.415 1.00 0.00 O ATOM 580 NE2 GLN A 36 9.142 4.477 2.369 1.00 0.00 N ATOM 0 H GLN A 36 12.448 1.099 5.274 1.00 0.00 H new ATOM 0 HA GLN A 36 10.372 1.890 3.550 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.048 3.221 5.034 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.165 3.090 3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.739 5.215 3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.691 4.302 2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.571 4.804 1.504 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.127 4.407 2.440 1.00 0.00 H new ATOM 589 N GLU A 37 12.964 0.691 2.013 1.00 0.00 N ATOM 590 CA GLU A 37 13.442 0.280 0.661 1.00 0.00 C ATOM 591 C GLU A 37 12.518 -0.808 0.108 1.00 0.00 C ATOM 592 O GLU A 37 12.228 -0.844 -1.070 1.00 0.00 O ATOM 593 CB GLU A 37 14.870 -0.260 0.761 1.00 0.00 C ATOM 594 CG GLU A 37 15.325 -0.761 -0.612 1.00 0.00 C ATOM 595 CD GLU A 37 16.830 -1.032 -0.584 1.00 0.00 C ATOM 596 OE1 GLU A 37 17.423 -0.865 0.469 1.00 0.00 O ATOM 597 OE2 GLU A 37 17.363 -1.403 -1.616 1.00 0.00 O ATOM 0 H GLU A 37 13.532 0.362 2.794 1.00 0.00 H new ATOM 0 HA GLU A 37 13.432 1.142 -0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.542 0.522 1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.913 -1.071 1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.786 -1.671 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.092 -0.020 -1.377 1.00 0.00 H new ATOM 604 N ASP A 38 12.045 -1.692 0.946 1.00 0.00 N ATOM 605 CA ASP A 38 11.134 -2.762 0.451 1.00 0.00 C ATOM 606 C ASP A 38 9.764 -2.151 0.150 1.00 0.00 C ATOM 607 O ASP A 38 9.084 -2.546 -0.776 1.00 0.00 O ATOM 608 CB ASP A 38 10.988 -3.845 1.521 1.00 0.00 C ATOM 609 CG ASP A 38 12.375 -4.337 1.941 1.00 0.00 C ATOM 610 OD1 ASP A 38 13.293 -3.535 1.936 1.00 0.00 O ATOM 611 OD2 ASP A 38 12.494 -5.508 2.260 1.00 0.00 O ATOM 0 H ASP A 38 12.249 -1.719 1.945 1.00 0.00 H new ATOM 0 HA ASP A 38 11.546 -3.206 -0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.454 -3.448 2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.397 -4.676 1.135 1.00 0.00 H new ATOM 616 N ILE A 39 9.358 -1.188 0.929 1.00 0.00 N ATOM 617 CA ILE A 39 8.034 -0.540 0.702 1.00 0.00 C ATOM 618 C ILE A 39 8.113 0.341 -0.539 1.00 0.00 C ATOM 619 O ILE A 39 7.237 0.332 -1.369 1.00 0.00 O ATOM 620 CB ILE A 39 7.684 0.331 1.912 1.00 0.00 C ATOM 621 CG1 ILE A 39 7.863 -0.479 3.191 1.00 0.00 C ATOM 622 CG2 ILE A 39 6.229 0.794 1.831 1.00 0.00 C ATOM 623 CD1 ILE A 39 8.120 0.465 4.383 1.00 0.00 C ATOM 0 H ILE A 39 9.889 -0.819 1.718 1.00 0.00 H new ATOM 0 HA ILE A 39 7.270 -1.305 0.564 1.00 0.00 H new ATOM 0 HB ILE A 39 8.343 1.199 1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.973 -1.080 3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.697 -1.171 3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.995 1.412 2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.082 1.375 0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.571 -0.075 1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.247 -0.123 5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.023 1.047 4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.272 1.140 4.502 1.00 0.00 H new ATOM 635 N VAL A 40 9.154 1.112 -0.653 1.00 0.00 N ATOM 636 CA VAL A 40 9.311 2.005 -1.827 1.00 0.00 C ATOM 637 C VAL A 40 9.734 1.204 -3.039 1.00 0.00 C ATOM 638 O VAL A 40 9.243 1.423 -4.120 1.00 0.00 O ATOM 639 CB VAL A 40 10.346 3.046 -1.499 1.00 0.00 C ATOM 640 CG1 VAL A 40 9.856 3.817 -0.282 1.00 0.00 C ATOM 641 CG2 VAL A 40 11.672 2.367 -1.211 1.00 0.00 C ATOM 0 H VAL A 40 9.912 1.161 0.027 1.00 0.00 H new ATOM 0 HA VAL A 40 8.362 2.489 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 40 10.493 3.731 -2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.586 4.582 -0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.901 4.291 -0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.729 3.132 0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.423 3.121 -0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.558 1.689 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.990 1.803 -2.088 1.00 0.00 H new ATOM 651 N LYS A 41 10.612 0.256 -2.895 1.00 0.00 N ATOM 652 CA LYS A 41 10.974 -0.535 -4.090 1.00 0.00 C ATOM 653 C LYS A 41 9.683 -1.184 -4.562 1.00 0.00 C ATOM 654 O LYS A 41 9.260 -1.014 -5.686 1.00 0.00 O ATOM 655 CB LYS A 41 11.998 -1.612 -3.717 1.00 0.00 C ATOM 656 CG LYS A 41 12.434 -2.380 -4.974 1.00 0.00 C ATOM 657 CD LYS A 41 13.608 -1.656 -5.649 1.00 0.00 C ATOM 658 CE LYS A 41 14.928 -2.119 -5.026 1.00 0.00 C ATOM 659 NZ LYS A 41 15.265 -3.480 -5.532 1.00 0.00 N ATOM 0 H LYS A 41 11.082 0.002 -2.026 1.00 0.00 H new ATOM 0 HA LYS A 41 11.420 0.087 -4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.865 -1.152 -3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.566 -2.301 -2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.727 -3.395 -4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.598 -2.462 -5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.608 -1.862 -6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.498 -0.578 -5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.725 -1.419 -5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.844 -2.134 -3.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.281 -3.659 -5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.716 -4.191 -5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.034 -3.541 -6.544 1.00 0.00 H new ATOM 673 N PHE A 42 9.054 -1.930 -3.695 1.00 0.00 N ATOM 674 CA PHE A 42 7.788 -2.607 -4.058 1.00 0.00 C ATOM 675 C PHE A 42 6.702 -1.577 -4.396 1.00 0.00 C ATOM 676 O PHE A 42 6.029 -1.698 -5.398 1.00 0.00 O ATOM 677 CB PHE A 42 7.341 -3.487 -2.886 1.00 0.00 C ATOM 678 CG PHE A 42 6.460 -4.595 -3.417 1.00 0.00 C ATOM 679 CD1 PHE A 42 7.007 -5.562 -4.273 1.00 0.00 C ATOM 680 CD2 PHE A 42 5.109 -4.658 -3.062 1.00 0.00 C ATOM 681 CE1 PHE A 42 6.202 -6.590 -4.773 1.00 0.00 C ATOM 682 CE2 PHE A 42 4.305 -5.689 -3.566 1.00 0.00 C ATOM 683 CZ PHE A 42 4.851 -6.654 -4.420 1.00 0.00 C ATOM 0 H PHE A 42 9.372 -2.098 -2.740 1.00 0.00 H new ATOM 0 HA PHE A 42 7.950 -3.226 -4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.209 -3.906 -2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.798 -2.891 -2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.051 -5.513 -4.546 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.687 -3.915 -2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.624 -7.335 -5.432 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.261 -5.739 -3.295 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.229 -7.448 -4.806 1.00 0.00 H new ATOM 693 N PHE A 43 6.522 -0.556 -3.594 1.00 0.00 N ATOM 694 CA PHE A 43 5.478 0.457 -3.931 1.00 0.00 C ATOM 695 C PHE A 43 5.825 1.050 -5.285 1.00 0.00 C ATOM 696 O PHE A 43 5.025 1.093 -6.199 1.00 0.00 O ATOM 697 CB PHE A 43 5.501 1.552 -2.882 1.00 0.00 C ATOM 698 CG PHE A 43 4.645 2.721 -3.307 1.00 0.00 C ATOM 699 CD1 PHE A 43 5.127 3.650 -4.233 1.00 0.00 C ATOM 700 CD2 PHE A 43 3.385 2.899 -2.738 1.00 0.00 C ATOM 701 CE1 PHE A 43 4.342 4.750 -4.585 1.00 0.00 C ATOM 702 CE2 PHE A 43 2.605 3.997 -3.095 1.00 0.00 C ATOM 703 CZ PHE A 43 3.083 4.925 -4.015 1.00 0.00 C ATOM 0 H PHE A 43 7.044 -0.383 -2.735 1.00 0.00 H new ATOM 0 HA PHE A 43 4.488 0.001 -3.958 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.141 1.159 -1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.526 1.886 -2.721 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.103 3.518 -4.675 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.013 2.184 -2.019 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.712 5.468 -5.302 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.627 4.128 -2.656 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.480 5.779 -4.286 1.00 0.00 H new ATOM 713 N GLU A 44 7.049 1.453 -5.418 1.00 0.00 N ATOM 714 CA GLU A 44 7.501 1.992 -6.721 1.00 0.00 C ATOM 715 C GLU A 44 7.177 0.920 -7.767 1.00 0.00 C ATOM 716 O GLU A 44 6.826 1.205 -8.895 1.00 0.00 O ATOM 717 CB GLU A 44 9.009 2.260 -6.679 1.00 0.00 C ATOM 718 CG GLU A 44 9.300 3.442 -5.743 1.00 0.00 C ATOM 719 CD GLU A 44 9.220 4.754 -6.528 1.00 0.00 C ATOM 720 OE1 GLU A 44 9.884 4.851 -7.547 1.00 0.00 O ATOM 721 OE2 GLU A 44 8.498 5.637 -6.097 1.00 0.00 O ATOM 0 H GLU A 44 7.756 1.433 -4.683 1.00 0.00 H new ATOM 0 HA GLU A 44 7.006 2.933 -6.959 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.536 1.371 -6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.377 2.479 -7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.583 3.454 -4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.290 3.332 -5.300 1.00 0.00 H new ATOM 728 N GLU A 45 7.289 -0.323 -7.366 1.00 0.00 N ATOM 729 CA GLU A 45 6.992 -1.469 -8.267 1.00 0.00 C ATOM 730 C GLU A 45 5.482 -1.700 -8.404 1.00 0.00 C ATOM 731 O GLU A 45 4.994 -2.049 -9.460 1.00 0.00 O ATOM 732 CB GLU A 45 7.597 -2.730 -7.652 1.00 0.00 C ATOM 733 CG GLU A 45 8.024 -3.686 -8.757 1.00 0.00 C ATOM 734 CD GLU A 45 6.810 -4.060 -9.612 1.00 0.00 C ATOM 735 OE1 GLU A 45 6.020 -4.873 -9.160 1.00 0.00 O ATOM 736 OE2 GLU A 45 6.691 -3.527 -10.702 1.00 0.00 O ATOM 0 H GLU A 45 7.582 -0.592 -6.427 1.00 0.00 H new ATOM 0 HA GLU A 45 7.408 -1.249 -9.250 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.455 -2.468 -7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.869 -3.214 -7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.789 -3.221 -9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.467 -4.583 -8.324 1.00 0.00 H new ATOM 743 N ILE A 46 4.747 -1.552 -7.333 1.00 0.00 N ATOM 744 CA ILE A 46 3.282 -1.814 -7.402 1.00 0.00 C ATOM 745 C ILE A 46 2.554 -0.582 -7.938 1.00 0.00 C ATOM 746 O ILE A 46 1.642 -0.695 -8.731 1.00 0.00 O ATOM 747 CB ILE A 46 2.762 -2.223 -6.012 1.00 0.00 C ATOM 748 CG1 ILE A 46 1.761 -3.373 -6.170 1.00 0.00 C ATOM 749 CG2 ILE A 46 2.076 -1.056 -5.319 1.00 0.00 C ATOM 750 CD1 ILE A 46 2.504 -4.673 -6.502 1.00 0.00 C ATOM 0 H ILE A 46 5.096 -1.263 -6.419 1.00 0.00 H new ATOM 0 HA ILE A 46 3.088 -2.637 -8.090 1.00 0.00 H new ATOM 0 HB ILE A 46 3.610 -2.536 -5.403 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.188 -3.496 -5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.048 -3.140 -6.961 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.719 -1.374 -4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.785 -0.237 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.232 -0.720 -5.922 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.785 -5.485 -6.613 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.057 -4.549 -7.433 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.199 -4.911 -5.697 1.00 0.00 H new ATOM 762 N ASP A 47 2.964 0.596 -7.562 1.00 0.00 N ATOM 763 CA ASP A 47 2.292 1.794 -8.124 1.00 0.00 C ATOM 764 C ASP A 47 2.603 1.790 -9.613 1.00 0.00 C ATOM 765 O ASP A 47 3.514 2.453 -10.068 1.00 0.00 O ATOM 766 CB ASP A 47 2.858 3.063 -7.480 1.00 0.00 C ATOM 767 CG ASP A 47 2.165 4.290 -8.073 1.00 0.00 C ATOM 768 OD1 ASP A 47 1.298 4.108 -8.914 1.00 0.00 O ATOM 769 OD2 ASP A 47 2.513 5.391 -7.680 1.00 0.00 O ATOM 0 H ASP A 47 3.721 0.778 -6.903 1.00 0.00 H new ATOM 0 HA ASP A 47 1.218 1.774 -7.936 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.708 3.034 -6.401 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.933 3.122 -7.651 1.00 0.00 H new ATOM 774 N VAL A 48 1.892 1.006 -10.378 1.00 0.00 N ATOM 775 CA VAL A 48 2.161 0.887 -11.837 1.00 0.00 C ATOM 776 C VAL A 48 1.672 2.084 -12.632 1.00 0.00 C ATOM 777 O VAL A 48 2.125 2.343 -13.729 1.00 0.00 O ATOM 778 CB VAL A 48 1.348 -0.309 -12.316 1.00 0.00 C ATOM 779 CG1 VAL A 48 -0.133 -0.097 -11.957 1.00 0.00 C ATOM 780 CG2 VAL A 48 1.477 -0.444 -13.833 1.00 0.00 C ATOM 0 H VAL A 48 1.119 0.431 -10.043 1.00 0.00 H new ATOM 0 HA VAL A 48 3.237 0.800 -11.985 1.00 0.00 H new ATOM 0 HB VAL A 48 1.721 -1.213 -11.834 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.716 -0.952 -12.299 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.235 0.003 -10.876 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.499 0.809 -12.441 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.894 -1.300 -14.173 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.104 0.462 -14.312 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.524 -0.590 -14.098 1.00 0.00 H new ATOM 790 N ASP A 49 0.714 2.773 -12.130 1.00 0.00 N ATOM 791 CA ASP A 49 0.153 3.905 -12.901 1.00 0.00 C ATOM 792 C ASP A 49 1.100 5.089 -12.800 1.00 0.00 C ATOM 793 O ASP A 49 1.036 6.023 -13.575 1.00 0.00 O ATOM 794 CB ASP A 49 -1.241 4.217 -12.354 1.00 0.00 C ATOM 795 CG ASP A 49 -1.376 5.700 -12.003 1.00 0.00 C ATOM 796 OD1 ASP A 49 -1.137 6.521 -12.871 1.00 0.00 O ATOM 797 OD2 ASP A 49 -1.722 5.985 -10.869 1.00 0.00 O ATOM 0 H ASP A 49 0.288 2.609 -11.218 1.00 0.00 H new ATOM 0 HA ASP A 49 0.051 3.661 -13.958 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.994 3.945 -13.093 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.431 3.612 -11.468 1.00 0.00 H new ATOM 802 N GLY A 50 2.013 5.032 -11.882 1.00 0.00 N ATOM 803 CA GLY A 50 3.013 6.112 -11.746 1.00 0.00 C ATOM 804 C GLY A 50 2.380 7.414 -11.248 1.00 0.00 C ATOM 805 O GLY A 50 3.020 8.446 -11.235 1.00 0.00 O ATOM 0 H GLY A 50 2.109 4.271 -11.210 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.794 5.799 -11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.493 6.286 -12.709 1.00 0.00 H new ATOM 809 N ASN A 51 1.152 7.388 -10.816 1.00 0.00 N ATOM 810 CA ASN A 51 0.539 8.642 -10.305 1.00 0.00 C ATOM 811 C ASN A 51 1.074 8.862 -8.900 1.00 0.00 C ATOM 812 O ASN A 51 0.626 9.723 -8.170 1.00 0.00 O ATOM 813 CB ASN A 51 -0.984 8.510 -10.266 1.00 0.00 C ATOM 814 CG ASN A 51 -1.600 9.858 -9.889 1.00 0.00 C ATOM 815 OD1 ASN A 51 -1.398 10.845 -10.570 1.00 0.00 O ATOM 816 ND2 ASN A 51 -2.350 9.945 -8.823 1.00 0.00 N ATOM 0 H ASN A 51 0.552 6.563 -10.794 1.00 0.00 H new ATOM 0 HA ASN A 51 0.787 9.482 -10.954 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.357 8.186 -11.238 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.276 7.749 -9.542 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.765 10.840 -8.563 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.521 9.118 -8.251 1.00 0.00 H new ATOM 823 N GLY A 52 2.042 8.074 -8.523 1.00 0.00 N ATOM 824 CA GLY A 52 2.632 8.210 -7.173 1.00 0.00 C ATOM 825 C GLY A 52 1.700 7.571 -6.145 1.00 0.00 C ATOM 826 O GLY A 52 1.778 7.849 -4.965 1.00 0.00 O ATOM 0 H GLY A 52 2.449 7.338 -9.100 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.610 7.730 -7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.786 9.263 -6.936 1.00 0.00 H new ATOM 830 N GLU A 53 0.806 6.724 -6.584 1.00 0.00 N ATOM 831 CA GLU A 53 -0.139 6.081 -5.627 1.00 0.00 C ATOM 832 C GLU A 53 -0.450 4.656 -6.064 1.00 0.00 C ATOM 833 O GLU A 53 -0.349 4.306 -7.222 1.00 0.00 O ATOM 834 CB GLU A 53 -1.455 6.885 -5.573 1.00 0.00 C ATOM 835 CG GLU A 53 -1.209 8.323 -6.035 1.00 0.00 C ATOM 836 CD GLU A 53 -2.506 9.125 -5.919 1.00 0.00 C ATOM 837 OE1 GLU A 53 -3.329 9.016 -6.813 1.00 0.00 O ATOM 838 OE2 GLU A 53 -2.656 9.833 -4.936 1.00 0.00 O ATOM 0 H GLU A 53 0.690 6.451 -7.560 1.00 0.00 H new ATOM 0 HA GLU A 53 0.327 6.063 -4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.205 6.414 -6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.850 6.883 -4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.429 8.783 -5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.856 8.330 -7.066 1.00 0.00 H new ATOM 845 N LEU A 54 -0.855 3.840 -5.132 1.00 0.00 N ATOM 846 CA LEU A 54 -1.206 2.454 -5.462 1.00 0.00 C ATOM 847 C LEU A 54 -2.603 2.431 -6.040 1.00 0.00 C ATOM 848 O LEU A 54 -3.493 3.083 -5.541 1.00 0.00 O ATOM 849 CB LEU A 54 -1.268 1.636 -4.187 1.00 0.00 C ATOM 850 CG LEU A 54 0.086 1.493 -3.503 1.00 0.00 C ATOM 851 CD1 LEU A 54 1.256 1.836 -4.430 1.00 0.00 C ATOM 852 CD2 LEU A 54 0.064 2.399 -2.300 1.00 0.00 C ATOM 0 H LEU A 54 -0.955 4.088 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.467 2.057 -6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.970 2.103 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.659 0.645 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 54 0.244 0.454 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.195 1.717 -3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.245 1.168 -5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.161 2.868 -4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.017 2.330 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.100 3.427 -2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.741 2.096 -1.631 1.00 0.00 H new ATOM 864 N ASN A 55 -2.818 1.687 -7.071 1.00 0.00 N ATOM 865 CA ASN A 55 -4.196 1.615 -7.637 1.00 0.00 C ATOM 866 C ASN A 55 -4.916 0.448 -6.969 1.00 0.00 C ATOM 867 O ASN A 55 -4.365 -0.248 -6.147 1.00 0.00 O ATOM 868 CB ASN A 55 -4.189 1.399 -9.156 1.00 0.00 C ATOM 869 CG ASN A 55 -2.793 1.034 -9.639 1.00 0.00 C ATOM 870 OD1 ASN A 55 -1.808 1.576 -9.181 1.00 0.00 O ATOM 871 ND2 ASN A 55 -2.671 0.126 -10.563 1.00 0.00 N ATOM 0 H ASN A 55 -2.114 1.126 -7.550 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.700 2.562 -7.446 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.889 0.606 -9.419 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.528 2.304 -9.659 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.745 -0.133 -10.905 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.501 -0.327 -10.945 1.00 0.00 H new ATOM 878 N ALA A 56 -6.151 0.258 -7.299 1.00 0.00 N ATOM 879 CA ALA A 56 -6.942 -0.828 -6.657 1.00 0.00 C ATOM 880 C ALA A 56 -6.353 -2.235 -6.921 1.00 0.00 C ATOM 881 O ALA A 56 -5.997 -2.958 -5.990 1.00 0.00 O ATOM 882 CB ALA A 56 -8.384 -0.720 -7.158 1.00 0.00 C ATOM 0 H ALA A 56 -6.658 0.810 -7.991 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.906 -0.701 -5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.987 -1.505 -6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.791 0.254 -6.887 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.402 -0.831 -8.242 1.00 0.00 H new ATOM 888 N ASP A 57 -6.228 -2.642 -8.150 1.00 0.00 N ATOM 889 CA ASP A 57 -5.660 -4.001 -8.408 1.00 0.00 C ATOM 890 C ASP A 57 -4.253 -4.077 -7.814 1.00 0.00 C ATOM 891 O ASP A 57 -3.765 -5.129 -7.425 1.00 0.00 O ATOM 892 CB ASP A 57 -5.595 -4.251 -9.917 1.00 0.00 C ATOM 893 CG ASP A 57 -4.899 -5.587 -10.183 1.00 0.00 C ATOM 894 OD1 ASP A 57 -5.169 -6.527 -9.455 1.00 0.00 O ATOM 895 OD2 ASP A 57 -4.109 -5.646 -11.110 1.00 0.00 O ATOM 0 H ASP A 57 -6.488 -2.107 -8.978 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.294 -4.758 -7.946 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.600 -4.262 -10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.053 -3.442 -10.407 1.00 0.00 H new ATOM 900 N GLU A 58 -3.599 -2.958 -7.738 1.00 0.00 N ATOM 901 CA GLU A 58 -2.232 -2.943 -7.182 1.00 0.00 C ATOM 902 C GLU A 58 -2.353 -3.067 -5.673 1.00 0.00 C ATOM 903 O GLU A 58 -1.502 -3.634 -5.021 1.00 0.00 O ATOM 904 CB GLU A 58 -1.490 -1.667 -7.614 1.00 0.00 C ATOM 905 CG GLU A 58 -1.113 -1.770 -9.096 1.00 0.00 C ATOM 906 CD GLU A 58 -0.206 -2.981 -9.337 1.00 0.00 C ATOM 907 OE1 GLU A 58 0.999 -2.823 -9.247 1.00 0.00 O ATOM 908 OE2 GLU A 58 -0.734 -4.046 -9.616 1.00 0.00 O ATOM 0 H GLU A 58 -3.957 -2.051 -8.039 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.641 -3.776 -7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.121 -0.793 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.594 -1.532 -7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.015 -1.858 -9.701 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.605 -0.859 -9.412 1.00 0.00 H new ATOM 915 N PHE A 59 -3.436 -2.592 -5.110 1.00 0.00 N ATOM 916 CA PHE A 59 -3.602 -2.762 -3.645 1.00 0.00 C ATOM 917 C PHE A 59 -3.523 -4.247 -3.354 1.00 0.00 C ATOM 918 O PHE A 59 -2.941 -4.681 -2.381 1.00 0.00 O ATOM 919 CB PHE A 59 -5.000 -2.390 -3.154 1.00 0.00 C ATOM 920 CG PHE A 59 -5.433 -1.014 -3.518 1.00 0.00 C ATOM 921 CD1 PHE A 59 -4.508 -0.014 -3.773 1.00 0.00 C ATOM 922 CD2 PHE A 59 -6.803 -0.751 -3.585 1.00 0.00 C ATOM 923 CE1 PHE A 59 -4.954 1.256 -4.108 1.00 0.00 C ATOM 924 CE2 PHE A 59 -7.250 0.517 -3.926 1.00 0.00 C ATOM 925 CZ PHE A 59 -6.328 1.518 -4.191 1.00 0.00 C ATOM 0 H PHE A 59 -4.192 -2.106 -5.592 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.847 -2.137 -3.169 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.717 -3.103 -3.561 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.030 -2.492 -2.069 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.450 -0.222 -3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.514 -1.535 -3.371 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.242 2.044 -4.305 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.309 0.723 -3.985 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.671 2.505 -4.463 1.00 0.00 H new ATOM 935 N THR A 60 -4.141 -5.036 -4.198 1.00 0.00 N ATOM 936 CA THR A 60 -4.146 -6.505 -3.980 1.00 0.00 C ATOM 937 C THR A 60 -2.735 -7.042 -4.094 1.00 0.00 C ATOM 938 O THR A 60 -2.292 -7.812 -3.273 1.00 0.00 O ATOM 939 CB THR A 60 -5.045 -7.156 -5.025 1.00 0.00 C ATOM 940 OG1 THR A 60 -4.392 -7.141 -6.287 1.00 0.00 O ATOM 941 CG2 THR A 60 -6.346 -6.362 -5.106 1.00 0.00 C ATOM 0 H THR A 60 -4.642 -4.720 -5.029 1.00 0.00 H new ATOM 0 HA THR A 60 -4.525 -6.733 -2.984 1.00 0.00 H new ATOM 0 HB THR A 60 -5.257 -8.189 -4.749 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.541 -6.276 -6.722 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.002 -6.814 -5.850 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.839 -6.371 -4.134 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.127 -5.333 -5.392 1.00 0.00 H new ATOM 949 N SER A 61 -2.018 -6.640 -5.095 1.00 0.00 N ATOM 950 CA SER A 61 -0.621 -7.129 -5.231 1.00 0.00 C ATOM 951 C SER A 61 0.258 -6.397 -4.209 1.00 0.00 C ATOM 952 O SER A 61 1.310 -6.885 -3.785 1.00 0.00 O ATOM 953 CB SER A 61 -0.114 -6.836 -6.643 1.00 0.00 C ATOM 954 OG SER A 61 1.187 -7.386 -6.798 1.00 0.00 O ATOM 0 H SER A 61 -2.332 -5.998 -5.823 1.00 0.00 H new ATOM 0 HA SER A 61 -0.583 -8.204 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.792 -7.263 -7.381 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.090 -5.760 -6.817 1.00 0.00 H new ATOM 0 HG SER A 61 1.547 -7.133 -7.674 1.00 0.00 H new ATOM 960 N CYS A 62 -0.214 -5.278 -3.717 1.00 0.00 N ATOM 961 CA CYS A 62 0.559 -4.549 -2.678 1.00 0.00 C ATOM 962 C CYS A 62 0.429 -5.326 -1.386 1.00 0.00 C ATOM 963 O CYS A 62 1.372 -5.494 -0.640 1.00 0.00 O ATOM 964 CB CYS A 62 -0.014 -3.141 -2.501 1.00 0.00 C ATOM 965 SG CYS A 62 1.041 -2.197 -1.373 1.00 0.00 S ATOM 0 H CYS A 62 -1.096 -4.844 -3.991 1.00 0.00 H new ATOM 0 HA CYS A 62 1.606 -4.459 -2.967 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.075 -2.638 -3.466 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.028 -3.197 -2.106 1.00 0.00 H new ATOM 0 HG CYS A 62 0.703 -2.455 -0.145 1.00 0.00 H new ATOM 971 N ILE A 63 -0.741 -5.830 -1.139 1.00 0.00 N ATOM 972 CA ILE A 63 -0.958 -6.634 0.077 1.00 0.00 C ATOM 973 C ILE A 63 -0.449 -8.034 -0.212 1.00 0.00 C ATOM 974 O ILE A 63 0.127 -8.673 0.645 1.00 0.00 O ATOM 975 CB ILE A 63 -2.453 -6.658 0.417 1.00 0.00 C ATOM 976 CG1 ILE A 63 -2.825 -5.421 1.248 1.00 0.00 C ATOM 977 CG2 ILE A 63 -2.792 -7.912 1.227 1.00 0.00 C ATOM 978 CD1 ILE A 63 -2.042 -4.201 0.768 1.00 0.00 C ATOM 0 H ILE A 63 -1.561 -5.716 -1.735 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.428 -6.212 0.931 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.016 -6.660 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.895 -5.229 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.613 -5.606 2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.856 -7.917 1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.545 -8.799 0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.216 -7.914 2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.317 -3.333 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.974 -4.390 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.275 -4.008 -0.279 1.00 0.00 H new