USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 674 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 Set 1.1: A 78 LYS NZ :NH3+ 172:sc= 0.918 (180deg=-0.168) USER MOD Set 1.2: A 79 ASN : amide:sc= -0.179 K(o=0.74,f=-11!) USER MOD Set 2.1: A 73 GLN : amide:sc= 0.29 K(o=0.29,f=-3.4!) USER MOD Set 2.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 28 HIS : no HD1:sc= -0.435 K(o=-0.45,f=-9.3!) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= -0.0104 USER MOD Single : A 4 THR OG1 : rot 25:sc= 0.167 USER MOD Single : A 10 THR OG1 : rot 83:sc= 0.755 USER MOD Single : A 15 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 16 CYS SG : rot -150:sc= -3.25! USER MOD Single : A 22 THR OG1 : rot -26:sc= 0.721 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.468 USER MOD Single : A 27 SER OG : rot 99:sc= 0.379 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= -0.0275 (180deg=-0.244) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -111:sc= 0.222 (180deg=0.102) USER MOD Single : A 61 THR OG1 : rot 66:sc= 1.18 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 65 ASN : amide:sc=-0.00515 X(o=-0.0051,f=-0.42) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -8.776 2.086 -1.659 1.00 0.00 N ATOM 46 CA THR A 4 -7.385 2.322 -1.260 1.00 0.00 C ATOM 47 C THR A 4 -7.005 3.803 -1.427 1.00 0.00 C ATOM 48 O THR A 4 -6.505 4.408 -0.482 1.00 0.00 O ATOM 49 CB THR A 4 -6.392 1.429 -2.072 1.00 0.00 C ATOM 50 OG1 THR A 4 -6.823 0.061 -2.021 1.00 0.00 O ATOM 51 CG2 THR A 4 -4.960 1.514 -1.516 1.00 0.00 C ATOM 0 HA THR A 4 -7.307 2.052 -0.207 1.00 0.00 H new ATOM 0 HB THR A 4 -6.387 1.795 -3.099 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.789 0.028 -1.857 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.301 0.879 -2.108 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.611 2.545 -1.566 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.952 1.178 -0.479 1.00 0.00 H new ATOM 59 N PHE A 5 -7.288 4.385 -2.616 1.00 0.00 N ATOM 60 CA PHE A 5 -6.896 5.782 -2.927 1.00 0.00 C ATOM 61 C PHE A 5 -7.570 6.785 -1.968 1.00 0.00 C ATOM 62 O PHE A 5 -6.926 7.739 -1.540 1.00 0.00 O ATOM 63 CB PHE A 5 -7.203 6.166 -4.403 1.00 0.00 C ATOM 64 CG PHE A 5 -6.930 7.653 -4.710 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.624 8.154 -4.683 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.974 8.549 -4.971 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.377 9.498 -4.893 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.719 9.888 -5.191 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.422 10.361 -5.153 1.00 0.00 C ATOM 0 H PHE A 5 -7.783 3.913 -3.372 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.817 5.835 -2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.599 5.547 -5.066 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.247 5.942 -4.621 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.799 7.483 -4.496 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.991 8.188 -5.001 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.365 9.873 -4.854 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.535 10.566 -5.393 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.225 11.409 -5.327 1.00 0.00 H new ATOM 79 N ASP A 6 -8.862 6.564 -1.647 1.00 0.00 N ATOM 80 CA ASP A 6 -9.603 7.456 -0.722 1.00 0.00 C ATOM 81 C ASP A 6 -8.950 7.465 0.665 1.00 0.00 C ATOM 82 O ASP A 6 -8.852 8.518 1.292 1.00 0.00 O ATOM 83 CB ASP A 6 -11.103 7.078 -0.618 1.00 0.00 C ATOM 84 CG ASP A 6 -11.922 7.592 -1.811 1.00 0.00 C ATOM 85 OD1 ASP A 6 -12.050 8.828 -1.957 1.00 0.00 O ATOM 86 OD2 ASP A 6 -12.442 6.778 -2.604 1.00 0.00 O ATOM 0 H ASP A 6 -9.412 5.785 -2.009 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.553 8.462 -1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.198 5.994 -0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.515 7.487 0.305 1.00 0.00 H new ATOM 91 N ARG A 7 -8.496 6.275 1.117 1.00 0.00 N ATOM 92 CA ARG A 7 -7.727 6.123 2.372 1.00 0.00 C ATOM 93 C ARG A 7 -6.400 6.904 2.312 1.00 0.00 C ATOM 94 O ARG A 7 -6.130 7.714 3.191 1.00 0.00 O ATOM 95 CB ARG A 7 -7.450 4.625 2.676 1.00 0.00 C ATOM 96 CG ARG A 7 -8.695 3.798 3.049 1.00 0.00 C ATOM 97 CD ARG A 7 -9.304 4.254 4.383 1.00 0.00 C ATOM 98 NE ARG A 7 -10.498 3.478 4.750 1.00 0.00 N ATOM 99 CZ ARG A 7 -11.420 3.840 5.654 1.00 0.00 C ATOM 100 NH1 ARG A 7 -11.292 4.971 6.344 1.00 0.00 N ATOM 101 NH2 ARG A 7 -12.468 3.057 5.871 1.00 0.00 N ATOM 0 H ARG A 7 -8.652 5.396 0.624 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.333 6.537 3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.980 4.173 1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.732 4.562 3.493 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.441 3.888 2.259 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.425 2.744 3.114 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.557 4.160 5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.567 5.310 4.317 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.637 2.586 4.275 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.485 5.575 6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -12.001 5.234 7.028 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -12.569 2.185 5.352 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -13.173 3.327 6.557 1.00 0.00 H new ATOM 115 N VAL A 8 -5.611 6.661 1.239 1.00 0.00 N ATOM 116 CA VAL A 8 -4.269 7.266 1.037 1.00 0.00 C ATOM 117 C VAL A 8 -4.354 8.803 0.997 1.00 0.00 C ATOM 118 O VAL A 8 -3.578 9.500 1.643 1.00 0.00 O ATOM 119 CB VAL A 8 -3.597 6.735 -0.287 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.213 7.387 -0.539 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.483 5.195 -0.254 1.00 0.00 C ATOM 0 H VAL A 8 -5.888 6.035 0.483 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.651 6.971 1.885 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.241 7.021 -1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.787 6.992 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.330 8.467 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.547 7.161 0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.017 4.845 -1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.874 4.893 0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.477 4.758 -0.162 1.00 0.00 H new ATOM 131 N ALA A 9 -5.337 9.295 0.236 1.00 0.00 N ATOM 132 CA ALA A 9 -5.606 10.727 0.057 1.00 0.00 C ATOM 133 C ALA A 9 -5.971 11.401 1.392 1.00 0.00 C ATOM 134 O ALA A 9 -5.515 12.517 1.664 1.00 0.00 O ATOM 135 CB ALA A 9 -6.722 10.922 -0.981 1.00 0.00 C ATOM 0 H ALA A 9 -5.981 8.698 -0.283 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.697 11.205 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.917 11.987 -1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.412 10.492 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.629 10.426 -0.637 1.00 0.00 H new ATOM 141 N THR A 10 -6.802 10.712 2.210 1.00 0.00 N ATOM 142 CA THR A 10 -7.140 11.169 3.576 1.00 0.00 C ATOM 143 C THR A 10 -5.865 11.265 4.430 1.00 0.00 C ATOM 144 O THR A 10 -5.618 12.286 5.069 1.00 0.00 O ATOM 145 CB THR A 10 -8.164 10.216 4.291 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.318 10.014 3.468 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.619 10.784 5.651 1.00 0.00 C ATOM 0 H THR A 10 -7.251 9.835 1.945 1.00 0.00 H new ATOM 0 HA THR A 10 -7.606 12.149 3.476 1.00 0.00 H new ATOM 0 HB THR A 10 -7.653 9.268 4.460 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.130 9.316 2.807 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.327 10.096 6.114 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.753 10.907 6.302 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.099 11.751 5.499 1.00 0.00 H new ATOM 155 N ILE A 11 -5.052 10.194 4.379 1.00 0.00 N ATOM 156 CA ILE A 11 -3.797 10.079 5.142 1.00 0.00 C ATOM 157 C ILE A 11 -2.846 11.244 4.825 1.00 0.00 C ATOM 158 O ILE A 11 -2.392 11.925 5.739 1.00 0.00 O ATOM 159 CB ILE A 11 -3.102 8.684 4.862 1.00 0.00 C ATOM 160 CG1 ILE A 11 -3.966 7.522 5.452 1.00 0.00 C ATOM 161 CG2 ILE A 11 -1.652 8.636 5.403 1.00 0.00 C ATOM 162 CD1 ILE A 11 -3.494 6.113 5.120 1.00 0.00 C ATOM 0 H ILE A 11 -5.250 9.377 3.801 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.039 10.132 6.203 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.036 8.556 3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.994 7.630 6.536 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.989 7.636 5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.216 7.661 5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.058 9.413 4.922 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.660 8.800 6.480 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.165 5.387 5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.494 5.974 4.039 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.484 5.968 5.504 1.00 0.00 H new ATOM 174 N ILE A 12 -2.621 11.513 3.530 1.00 0.00 N ATOM 175 CA ILE A 12 -1.675 12.549 3.074 1.00 0.00 C ATOM 176 C ILE A 12 -2.166 13.955 3.496 1.00 0.00 C ATOM 177 O ILE A 12 -1.386 14.774 4.010 1.00 0.00 O ATOM 178 CB ILE A 12 -1.487 12.452 1.510 1.00 0.00 C ATOM 179 CG1 ILE A 12 -0.812 11.098 1.126 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.697 13.648 0.935 1.00 0.00 C ATOM 181 CD1 ILE A 12 -0.613 10.875 -0.366 1.00 0.00 C ATOM 0 H ILE A 12 -3.088 11.021 2.768 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.707 12.382 3.546 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.480 12.490 1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.159 11.042 1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.418 10.283 1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.596 13.532 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.229 14.574 1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.293 13.683 1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.138 9.908 -0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.580 10.894 -0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.021 11.664 -0.770 1.00 0.00 H new ATOM 193 N ALA A 13 -3.474 14.198 3.281 1.00 0.00 N ATOM 194 CA ALA A 13 -4.165 15.437 3.689 1.00 0.00 C ATOM 195 C ALA A 13 -3.985 15.748 5.188 1.00 0.00 C ATOM 196 O ALA A 13 -3.597 16.860 5.559 1.00 0.00 O ATOM 197 CB ALA A 13 -5.660 15.334 3.334 1.00 0.00 C ATOM 0 H ALA A 13 -4.088 13.531 2.813 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.712 16.264 3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.169 16.249 3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.770 15.195 2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.100 14.485 3.856 1.00 0.00 H new ATOM 203 N GLU A 14 -4.250 14.738 6.023 1.00 0.00 N ATOM 204 CA GLU A 14 -4.217 14.862 7.492 1.00 0.00 C ATOM 205 C GLU A 14 -2.773 14.958 8.029 1.00 0.00 C ATOM 206 O GLU A 14 -2.515 15.697 8.977 1.00 0.00 O ATOM 207 CB GLU A 14 -4.945 13.648 8.130 1.00 0.00 C ATOM 208 CG GLU A 14 -6.457 13.573 7.833 1.00 0.00 C ATOM 209 CD GLU A 14 -7.263 14.736 8.437 1.00 0.00 C ATOM 210 OE1 GLU A 14 -7.519 14.720 9.662 1.00 0.00 O ATOM 211 OE2 GLU A 14 -7.664 15.656 7.692 1.00 0.00 O ATOM 0 H GLU A 14 -4.496 13.802 5.700 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.727 15.786 7.765 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.473 12.732 7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.802 13.683 9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.606 13.561 6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.848 12.632 8.219 1.00 0.00 H new ATOM 218 N THR A 15 -1.843 14.220 7.400 1.00 0.00 N ATOM 219 CA THR A 15 -0.452 14.089 7.888 1.00 0.00 C ATOM 220 C THR A 15 0.373 15.357 7.602 1.00 0.00 C ATOM 221 O THR A 15 1.062 15.869 8.492 1.00 0.00 O ATOM 222 CB THR A 15 0.248 12.845 7.243 1.00 0.00 C ATOM 223 OG1 THR A 15 -0.461 11.649 7.608 1.00 0.00 O ATOM 224 CG2 THR A 15 1.724 12.697 7.655 1.00 0.00 C ATOM 0 H THR A 15 -2.029 13.699 6.543 1.00 0.00 H new ATOM 0 HA THR A 15 -0.502 13.952 8.968 1.00 0.00 H new ATOM 0 HB THR A 15 0.226 13.000 6.164 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.316 11.617 7.131 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.150 11.816 7.174 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.279 13.583 7.346 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.790 12.587 8.737 1.00 0.00 H new ATOM 232 N CYS A 16 0.304 15.858 6.355 1.00 0.00 N ATOM 233 CA CYS A 16 1.205 16.924 5.868 1.00 0.00 C ATOM 234 C CYS A 16 0.435 18.216 5.512 1.00 0.00 C ATOM 235 O CYS A 16 0.983 19.089 4.827 1.00 0.00 O ATOM 236 CB CYS A 16 1.998 16.380 4.655 1.00 0.00 C ATOM 237 SG CYS A 16 2.959 14.894 5.029 1.00 0.00 S ATOM 0 H CYS A 16 -0.371 15.540 5.660 1.00 0.00 H new ATOM 0 HA CYS A 16 1.897 17.199 6.664 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.302 16.159 3.846 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.671 17.157 4.293 1.00 0.00 H new ATOM 0 HG CYS A 16 4.015 14.858 4.271 1.00 0.00 H new ATOM 243 N ASP A 17 -0.820 18.328 6.013 1.00 0.00 N ATOM 244 CA ASP A 17 -1.711 19.501 5.799 1.00 0.00 C ATOM 245 C ASP A 17 -1.926 19.761 4.288 1.00 0.00 C ATOM 246 O ASP A 17 -1.998 20.905 3.827 1.00 0.00 O ATOM 247 CB ASP A 17 -1.155 20.754 6.555 1.00 0.00 C ATOM 248 CG ASP A 17 -2.182 21.893 6.732 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.019 21.810 7.656 1.00 0.00 O ATOM 250 OD2 ASP A 17 -2.164 22.871 5.949 1.00 0.00 O ATOM 0 H ASP A 17 -1.249 17.600 6.584 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.693 19.284 6.220 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.800 20.444 7.538 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.292 21.139 6.012 1.00 0.00 H new ATOM 255 N ILE A 18 -2.050 18.669 3.513 1.00 0.00 N ATOM 256 CA ILE A 18 -2.196 18.747 2.048 1.00 0.00 C ATOM 257 C ILE A 18 -3.692 18.938 1.718 1.00 0.00 C ATOM 258 O ILE A 18 -4.518 18.199 2.248 1.00 0.00 O ATOM 259 CB ILE A 18 -1.634 17.454 1.338 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.162 17.166 1.775 1.00 0.00 C ATOM 261 CG2 ILE A 18 -1.736 17.558 -0.205 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.858 18.221 1.387 1.00 0.00 C ATOM 0 H ILE A 18 -2.052 17.717 3.879 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.616 19.591 1.675 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.255 16.616 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.141 17.047 2.858 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.146 16.213 1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.339 16.649 -0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.780 17.681 -0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.160 18.417 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.845 17.920 1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.877 18.327 0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.586 19.174 1.840 1.00 0.00 H new ATOM 274 N PRO A 19 -4.080 19.965 0.891 1.00 0.00 N ATOM 275 CA PRO A 19 -5.486 20.145 0.443 1.00 0.00 C ATOM 276 C PRO A 19 -6.045 18.867 -0.231 1.00 0.00 C ATOM 277 O PRO A 19 -5.558 18.455 -1.288 1.00 0.00 O ATOM 278 CB PRO A 19 -5.393 21.330 -0.561 1.00 0.00 C ATOM 279 CG PRO A 19 -4.178 22.090 -0.138 1.00 0.00 C ATOM 280 CD PRO A 19 -3.201 21.043 0.350 1.00 0.00 C ATOM 0 HA PRO A 19 -6.170 20.341 1.269 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.300 20.974 -1.587 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.285 21.955 -0.520 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.761 22.660 -0.969 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.416 22.804 0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.569 20.676 -0.459 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.537 21.441 1.117 1.00 0.00 H new ATOM 288 N ARG A 20 -7.033 18.230 0.427 1.00 0.00 N ATOM 289 CA ARG A 20 -7.610 16.940 0.003 1.00 0.00 C ATOM 290 C ARG A 20 -8.168 16.990 -1.440 1.00 0.00 C ATOM 291 O ARG A 20 -7.967 16.046 -2.211 1.00 0.00 O ATOM 292 CB ARG A 20 -8.714 16.501 1.005 1.00 0.00 C ATOM 293 CG ARG A 20 -9.444 15.183 0.647 1.00 0.00 C ATOM 294 CD ARG A 20 -8.533 13.944 0.645 1.00 0.00 C ATOM 295 NE ARG A 20 -9.245 12.730 0.204 1.00 0.00 N ATOM 296 CZ ARG A 20 -10.012 11.954 0.983 1.00 0.00 C ATOM 297 NH1 ARG A 20 -10.260 12.273 2.252 1.00 0.00 N ATOM 298 NH2 ARG A 20 -10.547 10.851 0.482 1.00 0.00 N ATOM 0 H ARG A 20 -7.457 18.601 1.277 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.807 16.203 0.003 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.264 16.392 1.992 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.453 17.299 1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.255 15.024 1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.900 15.288 -0.338 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.681 14.122 -0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.135 13.786 1.647 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.146 12.458 -0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.863 13.124 2.651 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.847 11.667 2.825 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.374 10.597 -0.491 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.132 10.256 1.069 1.00 0.00 H new ATOM 312 N GLU A 21 -8.839 18.103 -1.803 1.00 0.00 N ATOM 313 CA GLU A 21 -9.471 18.249 -3.135 1.00 0.00 C ATOM 314 C GLU A 21 -8.412 18.402 -4.253 1.00 0.00 C ATOM 315 O GLU A 21 -8.680 18.038 -5.403 1.00 0.00 O ATOM 316 CB GLU A 21 -10.501 19.422 -3.183 1.00 0.00 C ATOM 317 CG GLU A 21 -9.936 20.831 -2.877 1.00 0.00 C ATOM 318 CD GLU A 21 -9.781 21.125 -1.375 1.00 0.00 C ATOM 319 OE1 GLU A 21 -10.775 21.517 -0.734 1.00 0.00 O ATOM 320 OE2 GLU A 21 -8.677 20.947 -0.828 1.00 0.00 O ATOM 0 H GLU A 21 -8.958 18.913 -1.195 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.025 17.327 -3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.955 19.441 -4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.298 19.209 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.965 20.936 -3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.594 21.580 -3.318 1.00 0.00 H new ATOM 327 N THR A 22 -7.196 18.888 -3.903 1.00 0.00 N ATOM 328 CA THR A 22 -6.104 19.046 -4.888 1.00 0.00 C ATOM 329 C THR A 22 -5.391 17.701 -5.126 1.00 0.00 C ATOM 330 O THR A 22 -4.691 17.545 -6.120 1.00 0.00 O ATOM 331 CB THR A 22 -5.049 20.132 -4.470 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.319 19.729 -3.300 1.00 0.00 O ATOM 333 CG2 THR A 22 -5.704 21.491 -4.203 1.00 0.00 C ATOM 0 H THR A 22 -6.951 19.174 -2.955 1.00 0.00 H new ATOM 0 HA THR A 22 -6.574 19.388 -5.810 1.00 0.00 H new ATOM 0 HB THR A 22 -4.362 20.231 -5.310 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.864 19.109 -2.772 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.940 22.213 -3.917 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.209 21.835 -5.106 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.430 21.393 -3.396 1.00 0.00 H new ATOM 341 N ILE A 23 -5.585 16.728 -4.205 1.00 0.00 N ATOM 342 CA ILE A 23 -4.945 15.405 -4.277 1.00 0.00 C ATOM 343 C ILE A 23 -5.609 14.573 -5.396 1.00 0.00 C ATOM 344 O ILE A 23 -6.702 14.021 -5.212 1.00 0.00 O ATOM 345 CB ILE A 23 -5.053 14.662 -2.884 1.00 0.00 C ATOM 346 CG1 ILE A 23 -4.289 15.446 -1.778 1.00 0.00 C ATOM 347 CG2 ILE A 23 -4.566 13.199 -2.953 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.377 14.843 -0.377 1.00 0.00 C ATOM 0 H ILE A 23 -6.191 16.844 -3.393 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.887 15.529 -4.509 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.111 14.631 -2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.239 15.514 -2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.676 16.464 -1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.662 12.737 -1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.170 12.648 -3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.521 13.178 -3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.813 15.461 0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.420 14.801 -0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.961 13.836 -0.388 1.00 0.00 H new ATOM 360 N THR A 24 -4.969 14.562 -6.573 1.00 0.00 N ATOM 361 CA THR A 24 -5.410 13.776 -7.737 1.00 0.00 C ATOM 362 C THR A 24 -4.704 12.398 -7.731 1.00 0.00 C ATOM 363 O THR A 24 -3.624 12.270 -7.148 1.00 0.00 O ATOM 364 CB THR A 24 -5.088 14.547 -9.067 1.00 0.00 C ATOM 365 OG1 THR A 24 -3.680 14.829 -9.150 1.00 0.00 O ATOM 366 CG2 THR A 24 -5.877 15.866 -9.168 1.00 0.00 C ATOM 0 H THR A 24 -4.122 15.103 -6.747 1.00 0.00 H new ATOM 0 HA THR A 24 -6.488 13.625 -7.678 1.00 0.00 H new ATOM 0 HB THR A 24 -5.387 13.904 -9.895 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.491 15.308 -9.984 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.626 16.369 -10.102 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.946 15.653 -9.146 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.618 16.510 -8.328 1.00 0.00 H new ATOM 374 N PRO A 25 -5.298 11.330 -8.363 1.00 0.00 N ATOM 375 CA PRO A 25 -4.629 10.009 -8.474 1.00 0.00 C ATOM 376 C PRO A 25 -3.396 10.060 -9.404 1.00 0.00 C ATOM 377 O PRO A 25 -2.502 9.219 -9.304 1.00 0.00 O ATOM 378 CB PRO A 25 -5.745 9.084 -9.024 1.00 0.00 C ATOM 379 CG PRO A 25 -6.650 10.011 -9.779 1.00 0.00 C ATOM 380 CD PRO A 25 -6.649 11.309 -8.998 1.00 0.00 C ATOM 0 HA PRO A 25 -4.228 9.658 -7.523 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.337 8.309 -9.673 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.276 8.577 -8.218 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.291 10.166 -10.797 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.657 9.600 -9.855 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.800 12.170 -9.649 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.444 11.330 -8.252 1.00 0.00 H new ATOM 388 N GLU A 26 -3.320 11.096 -10.263 1.00 0.00 N ATOM 389 CA GLU A 26 -2.211 11.269 -11.221 1.00 0.00 C ATOM 390 C GLU A 26 -1.068 12.086 -10.581 1.00 0.00 C ATOM 391 O GLU A 26 -0.023 12.290 -11.204 1.00 0.00 O ATOM 392 CB GLU A 26 -2.721 11.983 -12.500 1.00 0.00 C ATOM 393 CG GLU A 26 -3.265 13.410 -12.267 1.00 0.00 C ATOM 394 CD GLU A 26 -3.726 14.109 -13.559 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.751 13.694 -14.135 1.00 0.00 O ATOM 396 OE2 GLU A 26 -3.070 15.082 -14.003 1.00 0.00 O ATOM 0 H GLU A 26 -4.023 11.833 -10.312 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.827 10.285 -11.491 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.906 12.033 -13.222 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.508 11.377 -12.949 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.102 13.362 -11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.490 14.013 -11.793 1.00 0.00 H new ATOM 403 N SER A 27 -1.278 12.525 -9.324 1.00 0.00 N ATOM 404 CA SER A 27 -0.328 13.380 -8.600 1.00 0.00 C ATOM 405 C SER A 27 0.866 12.551 -8.130 1.00 0.00 C ATOM 406 O SER A 27 0.708 11.388 -7.758 1.00 0.00 O ATOM 407 CB SER A 27 -1.018 14.043 -7.388 1.00 0.00 C ATOM 408 OG SER A 27 -0.110 14.795 -6.608 1.00 0.00 O ATOM 0 H SER A 27 -2.113 12.294 -8.785 1.00 0.00 H new ATOM 0 HA SER A 27 0.023 14.162 -9.274 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.820 14.693 -7.738 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.479 13.274 -6.768 1.00 0.00 H new ATOM 0 HG SER A 27 -0.189 15.744 -6.838 1.00 0.00 H new ATOM 414 N HIS A 28 2.055 13.151 -8.178 1.00 0.00 N ATOM 415 CA HIS A 28 3.268 12.543 -7.644 1.00 0.00 C ATOM 416 C HIS A 28 3.515 13.109 -6.235 1.00 0.00 C ATOM 417 O HIS A 28 3.629 14.324 -6.079 1.00 0.00 O ATOM 418 CB HIS A 28 4.467 12.837 -8.577 1.00 0.00 C ATOM 419 CG HIS A 28 5.667 11.967 -8.312 1.00 0.00 C ATOM 420 ND1 HIS A 28 6.566 12.250 -7.317 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.062 10.848 -8.950 1.00 0.00 C ATOM 422 CE1 HIS A 28 7.483 11.304 -7.384 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.219 10.431 -8.357 1.00 0.00 N ATOM 0 H HIS A 28 2.202 14.073 -8.589 1.00 0.00 H new ATOM 0 HA HIS A 28 3.153 11.461 -7.585 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.153 12.702 -9.612 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.755 13.882 -8.465 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.557 10.370 -9.777 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.341 11.244 -6.731 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.773 9.612 -8.609 1.00 0.00 H new ATOM 431 N ALA A 29 3.578 12.226 -5.222 1.00 0.00 N ATOM 432 CA ALA A 29 3.846 12.589 -3.817 1.00 0.00 C ATOM 433 C ALA A 29 5.064 13.523 -3.649 1.00 0.00 C ATOM 434 O ALA A 29 5.002 14.490 -2.897 1.00 0.00 O ATOM 435 CB ALA A 29 4.035 11.309 -2.987 1.00 0.00 C ATOM 0 H ALA A 29 3.442 11.224 -5.358 1.00 0.00 H new ATOM 0 HA ALA A 29 2.983 13.149 -3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.233 11.575 -1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.130 10.704 -3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.876 10.740 -3.383 1.00 0.00 H new ATOM 441 N ILE A 30 6.140 13.272 -4.410 1.00 0.00 N ATOM 442 CA ILE A 30 7.414 13.986 -4.219 1.00 0.00 C ATOM 443 C ILE A 30 7.471 15.218 -5.143 1.00 0.00 C ATOM 444 O ILE A 30 7.734 16.333 -4.685 1.00 0.00 O ATOM 445 CB ILE A 30 8.652 13.046 -4.484 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.519 11.699 -3.702 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.980 13.746 -4.120 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.711 10.759 -3.854 1.00 0.00 C ATOM 0 H ILE A 30 6.155 12.582 -5.161 1.00 0.00 H new ATOM 0 HA ILE A 30 7.464 14.312 -3.180 1.00 0.00 H new ATOM 0 HB ILE A 30 8.664 12.825 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.379 11.920 -2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.620 11.184 -4.041 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.813 13.070 -4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.094 14.646 -4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.971 14.016 -3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.533 9.850 -3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.841 10.503 -4.906 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.612 11.251 -3.486 1.00 0.00 H new ATOM 460 N ASP A 31 7.174 15.007 -6.438 1.00 0.00 N ATOM 461 CA ASP A 31 7.362 16.035 -7.487 1.00 0.00 C ATOM 462 C ASP A 31 6.239 17.091 -7.455 1.00 0.00 C ATOM 463 O ASP A 31 6.504 18.290 -7.602 1.00 0.00 O ATOM 464 CB ASP A 31 7.455 15.376 -8.895 1.00 0.00 C ATOM 465 CG ASP A 31 7.795 16.382 -10.014 1.00 0.00 C ATOM 466 OD1 ASP A 31 8.968 16.802 -10.105 1.00 0.00 O ATOM 467 OD2 ASP A 31 6.902 16.775 -10.790 1.00 0.00 O ATOM 0 H ASP A 31 6.799 14.126 -6.789 1.00 0.00 H new ATOM 0 HA ASP A 31 8.302 16.546 -7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.215 14.595 -8.874 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.506 14.892 -9.126 1.00 0.00 H new ATOM 472 N ASP A 32 4.996 16.633 -7.247 1.00 0.00 N ATOM 473 CA ASP A 32 3.806 17.508 -7.247 1.00 0.00 C ATOM 474 C ASP A 32 3.532 18.037 -5.825 1.00 0.00 C ATOM 475 O ASP A 32 3.629 19.239 -5.575 1.00 0.00 O ATOM 476 CB ASP A 32 2.570 16.744 -7.795 1.00 0.00 C ATOM 477 CG ASP A 32 1.303 17.614 -7.869 1.00 0.00 C ATOM 478 OD1 ASP A 32 0.538 17.666 -6.882 1.00 0.00 O ATOM 479 OD2 ASP A 32 1.081 18.272 -8.904 1.00 0.00 O ATOM 0 H ASP A 32 4.784 15.650 -7.074 1.00 0.00 H new ATOM 0 HA ASP A 32 3.999 18.359 -7.901 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.799 16.362 -8.790 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.373 15.881 -7.159 1.00 0.00 H new ATOM 484 N LEU A 33 3.218 17.112 -4.892 1.00 0.00 N ATOM 485 CA LEU A 33 2.794 17.461 -3.514 1.00 0.00 C ATOM 486 C LEU A 33 3.965 18.023 -2.667 1.00 0.00 C ATOM 487 O LEU A 33 3.734 18.594 -1.594 1.00 0.00 O ATOM 488 CB LEU A 33 2.184 16.215 -2.816 1.00 0.00 C ATOM 489 CG LEU A 33 0.937 15.571 -3.494 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.495 14.295 -2.745 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.220 16.584 -3.626 1.00 0.00 C ATOM 0 H LEU A 33 3.250 16.108 -5.069 1.00 0.00 H new ATOM 0 HA LEU A 33 2.041 18.245 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.961 15.454 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.911 16.495 -1.799 1.00 0.00 H new ATOM 0 HG LEU A 33 1.222 15.277 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.377 13.866 -3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.309 13.570 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.241 14.547 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.073 16.102 -4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.509 16.937 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.104 17.430 -4.232 1.00 0.00 H new ATOM 503 N GLY A 34 5.209 17.844 -3.159 1.00 0.00 N ATOM 504 CA GLY A 34 6.401 18.373 -2.493 1.00 0.00 C ATOM 505 C GLY A 34 6.723 17.660 -1.187 1.00 0.00 C ATOM 506 O GLY A 34 7.166 18.290 -0.222 1.00 0.00 O ATOM 0 H GLY A 34 5.406 17.334 -4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.254 18.287 -3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.257 19.435 -2.294 1.00 0.00 H new ATOM 510 N ILE A 35 6.500 16.339 -1.164 1.00 0.00 N ATOM 511 CA ILE A 35 6.701 15.499 0.027 1.00 0.00 C ATOM 512 C ILE A 35 8.002 14.696 -0.131 1.00 0.00 C ATOM 513 O ILE A 35 8.138 13.921 -1.079 1.00 0.00 O ATOM 514 CB ILE A 35 5.486 14.513 0.233 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.149 15.314 0.369 1.00 0.00 C ATOM 516 CG2 ILE A 35 5.710 13.585 1.450 1.00 0.00 C ATOM 517 CD1 ILE A 35 2.887 14.460 0.416 1.00 0.00 C ATOM 0 H ILE A 35 6.172 15.818 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 35 6.768 16.144 0.903 1.00 0.00 H new ATOM 0 HB ILE A 35 5.415 13.876 -0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.195 15.917 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.070 16.005 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.854 12.919 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.612 12.993 1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.822 14.188 2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.014 15.106 0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.808 13.876 -0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.935 13.787 1.272 1.00 0.00 H new ATOM 529 N ASP A 36 8.946 14.886 0.797 1.00 0.00 N ATOM 530 CA ASP A 36 10.228 14.161 0.805 1.00 0.00 C ATOM 531 C ASP A 36 10.065 12.819 1.559 1.00 0.00 C ATOM 532 O ASP A 36 9.056 12.609 2.242 1.00 0.00 O ATOM 533 CB ASP A 36 11.317 15.053 1.467 1.00 0.00 C ATOM 534 CG ASP A 36 12.701 14.387 1.514 1.00 0.00 C ATOM 535 OD1 ASP A 36 13.371 14.306 0.461 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.105 13.916 2.593 1.00 0.00 O ATOM 0 H ASP A 36 8.845 15.548 1.567 1.00 0.00 H new ATOM 0 HA ASP A 36 10.538 13.937 -0.216 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.391 15.992 0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.006 15.301 2.482 1.00 0.00 H new ATOM 541 N SER A 37 11.066 11.926 1.410 1.00 0.00 N ATOM 542 CA SER A 37 11.164 10.640 2.141 1.00 0.00 C ATOM 543 C SER A 37 10.886 10.805 3.662 1.00 0.00 C ATOM 544 O SER A 37 10.097 10.044 4.224 1.00 0.00 O ATOM 545 CB SER A 37 12.577 10.025 1.905 1.00 0.00 C ATOM 546 OG SER A 37 13.019 9.239 3.017 1.00 0.00 O ATOM 0 H SER A 37 11.843 12.079 0.768 1.00 0.00 H new ATOM 0 HA SER A 37 10.397 9.969 1.754 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.556 9.404 1.009 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.293 10.826 1.721 1.00 0.00 H new ATOM 0 HG SER A 37 13.907 8.872 2.826 1.00 0.00 H new ATOM 551 N LEU A 38 11.536 11.816 4.289 1.00 0.00 N ATOM 552 CA LEU A 38 11.387 12.130 5.739 1.00 0.00 C ATOM 553 C LEU A 38 9.905 12.243 6.145 1.00 0.00 C ATOM 554 O LEU A 38 9.470 11.637 7.125 1.00 0.00 O ATOM 555 CB LEU A 38 12.152 13.450 6.103 1.00 0.00 C ATOM 556 CG LEU A 38 13.653 13.298 6.507 1.00 0.00 C ATOM 557 CD1 LEU A 38 14.480 12.625 5.406 1.00 0.00 C ATOM 558 CD2 LEU A 38 14.251 14.662 6.919 1.00 0.00 C ATOM 0 H LEU A 38 12.181 12.441 3.805 1.00 0.00 H new ATOM 0 HA LEU A 38 11.826 11.304 6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.096 14.124 5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.625 13.934 6.925 1.00 0.00 H new ATOM 0 HG LEU A 38 13.695 12.638 7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.517 12.540 5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.080 11.631 5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.432 13.225 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.297 14.532 7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.181 15.357 6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.697 15.060 7.769 1.00 0.00 H new ATOM 570 N ASP A 39 9.151 13.014 5.348 1.00 0.00 N ATOM 571 CA ASP A 39 7.712 13.249 5.557 1.00 0.00 C ATOM 572 C ASP A 39 6.895 12.001 5.200 1.00 0.00 C ATOM 573 O ASP A 39 5.905 11.677 5.870 1.00 0.00 O ATOM 574 CB ASP A 39 7.237 14.436 4.681 1.00 0.00 C ATOM 575 CG ASP A 39 7.982 15.750 4.967 1.00 0.00 C ATOM 576 OD1 ASP A 39 9.160 15.878 4.564 1.00 0.00 O ATOM 577 OD2 ASP A 39 7.386 16.674 5.576 1.00 0.00 O ATOM 0 H ASP A 39 9.525 13.497 4.532 1.00 0.00 H new ATOM 0 HA ASP A 39 7.558 13.481 6.611 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.367 14.176 3.630 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.170 14.591 4.842 1.00 0.00 H new ATOM 582 N PHE A 40 7.345 11.296 4.145 1.00 0.00 N ATOM 583 CA PHE A 40 6.590 10.196 3.530 1.00 0.00 C ATOM 584 C PHE A 40 6.673 8.911 4.379 1.00 0.00 C ATOM 585 O PHE A 40 5.843 8.023 4.222 1.00 0.00 O ATOM 586 CB PHE A 40 7.084 9.934 2.082 1.00 0.00 C ATOM 587 CG PHE A 40 6.088 9.149 1.227 1.00 0.00 C ATOM 588 CD1 PHE A 40 5.013 9.801 0.623 1.00 0.00 C ATOM 589 CD2 PHE A 40 6.194 7.770 1.064 1.00 0.00 C ATOM 590 CE1 PHE A 40 4.100 9.105 -0.138 1.00 0.00 C ATOM 591 CE2 PHE A 40 5.276 7.078 0.299 1.00 0.00 C ATOM 592 CZ PHE A 40 4.227 7.745 -0.289 1.00 0.00 C ATOM 0 H PHE A 40 8.244 11.476 3.697 1.00 0.00 H new ATOM 0 HA PHE A 40 5.543 10.495 3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.290 10.889 1.599 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.026 9.387 2.122 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.895 10.867 0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.003 7.236 1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.285 9.628 -0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.382 6.012 0.162 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.500 7.198 -0.872 1.00 0.00 H new ATOM 602 N LEU A 41 7.699 8.812 5.256 1.00 0.00 N ATOM 603 CA LEU A 41 7.841 7.669 6.187 1.00 0.00 C ATOM 604 C LEU A 41 6.648 7.612 7.163 1.00 0.00 C ATOM 605 O LEU A 41 6.134 6.531 7.450 1.00 0.00 O ATOM 606 CB LEU A 41 9.180 7.738 6.976 1.00 0.00 C ATOM 607 CG LEU A 41 10.483 7.548 6.142 1.00 0.00 C ATOM 608 CD1 LEU A 41 11.740 7.641 7.034 1.00 0.00 C ATOM 609 CD2 LEU A 41 10.448 6.226 5.340 1.00 0.00 C ATOM 0 H LEU A 41 8.439 9.509 5.338 1.00 0.00 H new ATOM 0 HA LEU A 41 7.851 6.758 5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.232 8.704 7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.158 6.976 7.755 1.00 0.00 H new ATOM 0 HG LEU A 41 10.537 8.364 5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.631 7.504 6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.775 8.620 7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.702 6.865 7.798 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.371 6.122 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.351 5.386 6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.598 6.237 4.658 1.00 0.00 H new ATOM 621 N ASP A 42 6.213 8.792 7.645 1.00 0.00 N ATOM 622 CA ASP A 42 5.057 8.911 8.563 1.00 0.00 C ATOM 623 C ASP A 42 3.742 8.665 7.793 1.00 0.00 C ATOM 624 O ASP A 42 2.829 8.011 8.309 1.00 0.00 O ATOM 625 CB ASP A 42 5.043 10.304 9.249 1.00 0.00 C ATOM 626 CG ASP A 42 4.007 10.416 10.387 1.00 0.00 C ATOM 627 OD1 ASP A 42 4.150 9.702 11.402 1.00 0.00 O ATOM 628 OD2 ASP A 42 3.062 11.219 10.285 1.00 0.00 O ATOM 0 H ASP A 42 6.647 9.685 7.413 1.00 0.00 H new ATOM 0 HA ASP A 42 5.149 8.154 9.342 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.035 10.514 9.649 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.833 11.068 8.500 1.00 0.00 H new ATOM 633 N ILE A 43 3.674 9.173 6.539 1.00 0.00 N ATOM 634 CA ILE A 43 2.521 8.943 5.638 1.00 0.00 C ATOM 635 C ILE A 43 2.331 7.446 5.374 1.00 0.00 C ATOM 636 O ILE A 43 1.227 6.907 5.526 1.00 0.00 O ATOM 637 CB ILE A 43 2.692 9.684 4.260 1.00 0.00 C ATOM 638 CG1 ILE A 43 2.767 11.227 4.463 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.564 9.309 3.259 1.00 0.00 C ATOM 640 CD1 ILE A 43 2.880 12.031 3.183 1.00 0.00 C ATOM 0 H ILE A 43 4.409 9.748 6.128 1.00 0.00 H new ATOM 0 HA ILE A 43 1.644 9.347 6.143 1.00 0.00 H new ATOM 0 HB ILE A 43 3.635 9.350 3.826 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.877 11.552 5.003 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.625 11.455 5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.719 9.841 2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.584 8.235 3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.597 9.587 3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.926 13.093 3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.785 11.740 2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.010 11.839 2.555 1.00 0.00 H new ATOM 652 N ALA A 44 3.438 6.776 5.031 1.00 0.00 N ATOM 653 CA ALA A 44 3.417 5.381 4.603 1.00 0.00 C ATOM 654 C ALA A 44 3.204 4.469 5.814 1.00 0.00 C ATOM 655 O ALA A 44 2.590 3.439 5.676 1.00 0.00 O ATOM 656 CB ALA A 44 4.705 5.019 3.848 1.00 0.00 C ATOM 0 H ALA A 44 4.370 7.190 5.044 1.00 0.00 H new ATOM 0 HA ALA A 44 2.586 5.236 3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.665 3.974 3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.801 5.654 2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.565 5.172 4.501 1.00 0.00 H new ATOM 662 N PHE A 45 3.692 4.888 7.006 1.00 0.00 N ATOM 663 CA PHE A 45 3.496 4.125 8.268 1.00 0.00 C ATOM 664 C PHE A 45 2.026 4.188 8.714 1.00 0.00 C ATOM 665 O PHE A 45 1.530 3.266 9.370 1.00 0.00 O ATOM 666 CB PHE A 45 4.450 4.627 9.406 1.00 0.00 C ATOM 667 CG PHE A 45 5.382 3.541 9.931 1.00 0.00 C ATOM 668 CD1 PHE A 45 4.941 2.623 10.888 1.00 0.00 C ATOM 669 CD2 PHE A 45 6.692 3.433 9.462 1.00 0.00 C ATOM 670 CE1 PHE A 45 5.780 1.624 11.344 1.00 0.00 C ATOM 671 CE2 PHE A 45 7.527 2.438 9.922 1.00 0.00 C ATOM 672 CZ PHE A 45 7.076 1.538 10.869 1.00 0.00 C ATOM 0 H PHE A 45 4.225 5.750 7.123 1.00 0.00 H new ATOM 0 HA PHE A 45 3.753 3.085 8.068 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.047 5.458 9.031 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.850 5.012 10.231 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.935 2.695 11.275 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.056 4.138 8.729 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.423 0.910 12.072 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.535 2.361 9.542 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.736 0.767 11.238 1.00 0.00 H new ATOM 682 N ALA A 46 1.347 5.290 8.357 1.00 0.00 N ATOM 683 CA ALA A 46 -0.102 5.440 8.573 1.00 0.00 C ATOM 684 C ALA A 46 -0.876 4.523 7.615 1.00 0.00 C ATOM 685 O ALA A 46 -1.930 4.003 7.970 1.00 0.00 O ATOM 686 CB ALA A 46 -0.530 6.898 8.391 1.00 0.00 C ATOM 0 H ALA A 46 1.783 6.098 7.913 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.333 5.148 9.597 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.604 6.985 8.555 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.001 7.525 9.109 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.290 7.224 7.379 1.00 0.00 H new ATOM 692 N ILE A 47 -0.331 4.345 6.396 1.00 0.00 N ATOM 693 CA ILE A 47 -0.874 3.403 5.393 1.00 0.00 C ATOM 694 C ILE A 47 -0.714 1.945 5.881 1.00 0.00 C ATOM 695 O ILE A 47 -1.666 1.163 5.839 1.00 0.00 O ATOM 696 CB ILE A 47 -0.162 3.595 4.001 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.452 5.017 3.410 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.558 2.489 3.006 1.00 0.00 C ATOM 699 CD1 ILE A 47 0.316 5.373 2.140 1.00 0.00 C ATOM 0 H ILE A 47 0.497 4.848 6.077 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.936 3.615 5.266 1.00 0.00 H new ATOM 0 HB ILE A 47 0.912 3.514 4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.519 5.093 3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.223 5.761 4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.048 2.654 2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.271 1.518 3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.636 2.511 2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.040 6.377 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.387 5.338 2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.070 4.659 1.354 1.00 0.00 H new ATOM 711 N ASP A 48 0.496 1.620 6.360 1.00 0.00 N ATOM 712 CA ASP A 48 0.841 0.294 6.917 1.00 0.00 C ATOM 713 C ASP A 48 -0.149 -0.090 8.015 1.00 0.00 C ATOM 714 O ASP A 48 -0.793 -1.142 7.965 1.00 0.00 O ATOM 715 CB ASP A 48 2.287 0.311 7.520 1.00 0.00 C ATOM 716 CG ASP A 48 3.427 0.536 6.522 1.00 0.00 C ATOM 717 OD1 ASP A 48 3.168 0.776 5.328 1.00 0.00 O ATOM 718 OD2 ASP A 48 4.604 0.459 6.935 1.00 0.00 O ATOM 0 H ASP A 48 1.276 2.277 6.374 1.00 0.00 H new ATOM 0 HA ASP A 48 0.795 -0.435 6.108 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.334 1.093 8.278 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.458 -0.637 8.029 1.00 0.00 H new ATOM 723 N LYS A 49 -0.274 0.831 8.965 1.00 0.00 N ATOM 724 CA LYS A 49 -1.081 0.668 10.172 1.00 0.00 C ATOM 725 C LYS A 49 -2.577 0.490 9.818 1.00 0.00 C ATOM 726 O LYS A 49 -3.228 -0.453 10.288 1.00 0.00 O ATOM 727 CB LYS A 49 -0.850 1.914 11.067 1.00 0.00 C ATOM 728 CG LYS A 49 -1.372 1.803 12.506 1.00 0.00 C ATOM 729 CD LYS A 49 -1.104 3.086 13.321 1.00 0.00 C ATOM 730 CE LYS A 49 -1.478 2.938 14.804 1.00 0.00 C ATOM 731 NZ LYS A 49 -0.729 1.839 15.476 1.00 0.00 N ATOM 0 H LYS A 49 0.195 1.736 8.917 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.782 -0.232 10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.220 2.120 11.103 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.325 2.773 10.593 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.443 1.602 12.488 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.897 0.955 12.999 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.049 3.348 13.241 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.671 3.911 12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.279 3.877 15.321 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.548 2.748 14.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.846 1.918 16.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.098 0.921 15.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.280 1.910 15.236 1.00 0.00 H new ATOM 745 N ALA A 50 -3.087 1.390 8.951 1.00 0.00 N ATOM 746 CA ALA A 50 -4.513 1.429 8.547 1.00 0.00 C ATOM 747 C ALA A 50 -4.937 0.153 7.796 1.00 0.00 C ATOM 748 O ALA A 50 -5.979 -0.434 8.089 1.00 0.00 O ATOM 749 CB ALA A 50 -4.792 2.672 7.679 1.00 0.00 C ATOM 0 H ALA A 50 -2.521 2.114 8.508 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.106 1.486 9.460 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.843 2.686 7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.560 3.572 8.248 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.171 2.638 6.784 1.00 0.00 H new ATOM 755 N PHE A 51 -4.108 -0.260 6.823 1.00 0.00 N ATOM 756 CA PHE A 51 -4.384 -1.423 5.941 1.00 0.00 C ATOM 757 C PHE A 51 -3.891 -2.757 6.549 1.00 0.00 C ATOM 758 O PHE A 51 -4.116 -3.828 5.962 1.00 0.00 O ATOM 759 CB PHE A 51 -3.717 -1.198 4.560 1.00 0.00 C ATOM 760 CG PHE A 51 -4.371 -0.113 3.705 1.00 0.00 C ATOM 761 CD1 PHE A 51 -4.007 1.227 3.826 1.00 0.00 C ATOM 762 CD2 PHE A 51 -5.357 -0.442 2.774 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.594 2.193 3.037 1.00 0.00 C ATOM 764 CE2 PHE A 51 -5.940 0.522 1.988 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.559 1.839 2.123 1.00 0.00 C ATOM 0 H PHE A 51 -3.221 0.201 6.619 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.466 -1.499 5.830 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.670 -0.937 4.715 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.733 -2.137 4.006 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.255 1.512 4.547 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.667 -1.471 2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.297 3.226 3.136 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.695 0.248 1.266 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.020 2.597 1.508 1.00 0.00 H new ATOM 775 N GLY A 52 -3.195 -2.685 7.699 1.00 0.00 N ATOM 776 CA GLY A 52 -2.708 -3.884 8.404 1.00 0.00 C ATOM 777 C GLY A 52 -1.512 -4.541 7.723 1.00 0.00 C ATOM 778 O GLY A 52 -1.129 -5.665 8.070 1.00 0.00 O ATOM 0 H GLY A 52 -2.957 -1.807 8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.432 -3.611 9.423 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.519 -4.609 8.477 1.00 0.00 H new ATOM 782 N ILE A 53 -0.923 -3.831 6.750 1.00 0.00 N ATOM 783 CA ILE A 53 0.228 -4.305 5.975 1.00 0.00 C ATOM 784 C ILE A 53 1.492 -3.568 6.427 1.00 0.00 C ATOM 785 O ILE A 53 1.477 -2.844 7.424 1.00 0.00 O ATOM 786 CB ILE A 53 0.011 -4.095 4.424 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.151 -2.578 4.045 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.193 -4.917 3.932 1.00 0.00 C ATOM 789 CD1 ILE A 53 -0.042 -2.288 2.559 1.00 0.00 C ATOM 0 H ILE A 53 -1.238 -2.900 6.477 1.00 0.00 H new ATOM 0 HA ILE A 53 0.339 -5.374 6.155 1.00 0.00 H new ATOM 0 HB ILE A 53 0.909 -4.452 3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.120 -2.229 4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.609 -2.001 4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.328 -4.760 2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.014 -5.975 4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.091 -4.599 4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.166 -1.219 2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.937 -2.603 2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.819 -2.834 2.024 1.00 0.00 H new ATOM 801 N LYS A 54 2.601 -3.822 5.728 1.00 0.00 N ATOM 802 CA LYS A 54 3.794 -2.974 5.762 1.00 0.00 C ATOM 803 C LYS A 54 4.277 -2.775 4.325 1.00 0.00 C ATOM 804 O LYS A 54 4.589 -3.754 3.629 1.00 0.00 O ATOM 805 CB LYS A 54 4.946 -3.560 6.642 1.00 0.00 C ATOM 806 CG LYS A 54 4.828 -3.329 8.177 1.00 0.00 C ATOM 807 CD LYS A 54 3.910 -4.339 8.905 1.00 0.00 C ATOM 808 CE LYS A 54 4.421 -5.787 8.831 1.00 0.00 C ATOM 809 NZ LYS A 54 3.567 -6.707 9.617 1.00 0.00 N ATOM 0 H LYS A 54 2.696 -4.632 5.115 1.00 0.00 H new ATOM 0 HA LYS A 54 3.520 -2.025 6.223 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.002 -4.633 6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.888 -3.130 6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.824 -3.378 8.617 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.451 -2.321 8.353 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.817 -4.047 9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.911 -4.291 8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.446 -6.112 7.791 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.444 -5.832 9.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.941 -7.675 9.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.563 -6.411 10.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.596 -6.682 9.245 1.00 0.00 H new ATOM 823 N LEU A 55 4.321 -1.511 3.874 1.00 0.00 N ATOM 824 CA LEU A 55 4.975 -1.134 2.630 1.00 0.00 C ATOM 825 C LEU A 55 6.488 -1.269 2.843 1.00 0.00 C ATOM 826 O LEU A 55 7.012 -0.751 3.843 1.00 0.00 O ATOM 827 CB LEU A 55 4.624 0.327 2.214 1.00 0.00 C ATOM 828 CG LEU A 55 3.115 0.633 1.917 1.00 0.00 C ATOM 829 CD1 LEU A 55 2.911 2.121 1.543 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.548 -0.307 0.831 1.00 0.00 C ATOM 0 H LEU A 55 3.900 -0.726 4.370 1.00 0.00 H new ATOM 0 HA LEU A 55 4.631 -1.786 1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.957 0.996 3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.203 0.576 1.324 1.00 0.00 H new ATOM 0 HG LEU A 55 2.554 0.442 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.855 2.304 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.238 2.752 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.496 2.356 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.500 -0.066 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.113 -0.179 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.630 -1.341 1.166 1.00 0.00 H new ATOM 842 N PRO A 56 7.210 -2.023 1.965 1.00 0.00 N ATOM 843 CA PRO A 56 8.685 -2.053 1.974 1.00 0.00 C ATOM 844 C PRO A 56 9.270 -0.734 1.423 1.00 0.00 C ATOM 845 O PRO A 56 10.031 -0.735 0.456 1.00 0.00 O ATOM 846 CB PRO A 56 9.024 -3.293 1.089 1.00 0.00 C ATOM 847 CG PRO A 56 7.726 -4.020 0.898 1.00 0.00 C ATOM 848 CD PRO A 56 6.670 -2.949 0.942 1.00 0.00 C ATOM 0 HA PRO A 56 9.118 -2.139 2.971 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.447 -2.988 0.132 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.763 -3.931 1.575 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.708 -4.553 -0.053 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.570 -4.761 1.682 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.544 -2.461 -0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.696 -3.348 1.227 1.00 0.00 H new ATOM 856 N LEU A 57 8.938 0.382 2.103 1.00 0.00 N ATOM 857 CA LEU A 57 9.205 1.753 1.635 1.00 0.00 C ATOM 858 C LEU A 57 10.724 1.995 1.553 1.00 0.00 C ATOM 859 O LEU A 57 11.205 2.561 0.575 1.00 0.00 O ATOM 860 CB LEU A 57 8.505 2.789 2.598 1.00 0.00 C ATOM 861 CG LEU A 57 8.168 4.222 2.041 1.00 0.00 C ATOM 862 CD1 LEU A 57 9.417 5.089 1.780 1.00 0.00 C ATOM 863 CD2 LEU A 57 7.282 4.118 0.787 1.00 0.00 C ATOM 0 H LEU A 57 8.469 0.353 3.008 1.00 0.00 H new ATOM 0 HA LEU A 57 8.792 1.887 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.574 2.341 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.145 2.915 3.471 1.00 0.00 H new ATOM 0 HG LEU A 57 7.612 4.738 2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.111 6.063 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.969 5.222 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.056 4.596 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.059 5.118 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.807 3.553 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.352 3.609 1.040 1.00 0.00 H new ATOM 875 N GLU A 58 11.465 1.526 2.578 1.00 0.00 N ATOM 876 CA GLU A 58 12.929 1.717 2.677 1.00 0.00 C ATOM 877 C GLU A 58 13.665 0.984 1.536 1.00 0.00 C ATOM 878 O GLU A 58 14.621 1.525 0.972 1.00 0.00 O ATOM 879 CB GLU A 58 13.442 1.242 4.061 1.00 0.00 C ATOM 880 CG GLU A 58 12.831 2.008 5.249 1.00 0.00 C ATOM 881 CD GLU A 58 13.322 1.491 6.612 1.00 0.00 C ATOM 882 OE1 GLU A 58 14.485 1.766 6.974 1.00 0.00 O ATOM 883 OE2 GLU A 58 12.561 0.800 7.327 1.00 0.00 O ATOM 0 H GLU A 58 11.067 1.005 3.360 1.00 0.00 H new ATOM 0 HA GLU A 58 13.141 2.781 2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.222 0.180 4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.526 1.348 4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.077 3.066 5.158 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.745 1.928 5.206 1.00 0.00 H new ATOM 890 N LYS A 59 13.184 -0.230 1.171 1.00 0.00 N ATOM 891 CA LYS A 59 13.793 -1.004 0.060 1.00 0.00 C ATOM 892 C LYS A 59 13.455 -0.315 -1.276 1.00 0.00 C ATOM 893 O LYS A 59 14.311 -0.232 -2.151 1.00 0.00 O ATOM 894 CB LYS A 59 13.365 -2.514 0.045 1.00 0.00 C ATOM 895 CG LYS A 59 12.139 -2.862 -0.832 1.00 0.00 C ATOM 896 CD LYS A 59 11.781 -4.367 -0.826 1.00 0.00 C ATOM 897 CE LYS A 59 12.770 -5.223 -1.624 1.00 0.00 C ATOM 898 NZ LYS A 59 12.696 -4.917 -3.075 1.00 0.00 N ATOM 0 H LYS A 59 12.391 -0.688 1.620 1.00 0.00 H new ATOM 0 HA LYS A 59 14.872 -1.012 0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.212 -3.108 -0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.153 -2.821 1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.279 -2.291 -0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.335 -2.548 -1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.750 -4.723 0.204 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.781 -4.498 -1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.783 -5.045 -1.263 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.555 -6.279 -1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.287 -5.729 -3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.097 -4.080 -3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.652 -4.728 -3.439 1.00 0.00 H new ATOM 912 N TRP A 60 12.205 0.210 -1.384 1.00 0.00 N ATOM 913 CA TRP A 60 11.725 0.964 -2.569 1.00 0.00 C ATOM 914 C TRP A 60 12.578 2.219 -2.785 1.00 0.00 C ATOM 915 O TRP A 60 12.895 2.576 -3.922 1.00 0.00 O ATOM 916 CB TRP A 60 10.237 1.385 -2.398 1.00 0.00 C ATOM 917 CG TRP A 60 9.222 0.265 -2.418 1.00 0.00 C ATOM 918 CD1 TRP A 60 9.428 -1.058 -2.708 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.817 0.402 -2.168 1.00 0.00 C ATOM 920 NE1 TRP A 60 8.243 -1.742 -2.648 1.00 0.00 N ATOM 921 CE2 TRP A 60 7.240 -0.871 -2.323 1.00 0.00 C ATOM 922 CE3 TRP A 60 6.994 1.481 -1.829 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.881 -1.097 -2.143 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.641 1.258 -1.656 1.00 0.00 C ATOM 925 CH2 TRP A 60 5.097 -0.022 -1.816 1.00 0.00 C ATOM 0 H TRP A 60 11.503 0.121 -0.650 1.00 0.00 H new ATOM 0 HA TRP A 60 11.811 0.308 -3.435 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.138 1.920 -1.454 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.986 2.089 -3.191 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.385 -1.497 -2.949 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.127 -2.741 -2.818 1.00 0.00 H new ATOM 0 HE3 TRP A 60 7.408 2.471 -1.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.458 -2.084 -2.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 4.995 2.082 -1.394 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.035 -0.165 -1.679 1.00 0.00 H new ATOM 936 N THR A 61 12.954 2.859 -1.663 1.00 0.00 N ATOM 937 CA THR A 61 13.807 4.048 -1.651 1.00 0.00 C ATOM 938 C THR A 61 15.207 3.696 -2.181 1.00 0.00 C ATOM 939 O THR A 61 15.773 4.447 -2.976 1.00 0.00 O ATOM 940 CB THR A 61 13.896 4.645 -0.206 1.00 0.00 C ATOM 941 OG1 THR A 61 12.578 4.957 0.278 1.00 0.00 O ATOM 942 CG2 THR A 61 14.762 5.914 -0.148 1.00 0.00 C ATOM 0 H THR A 61 12.668 2.557 -0.732 1.00 0.00 H new ATOM 0 HA THR A 61 13.367 4.803 -2.303 1.00 0.00 H new ATOM 0 HB THR A 61 14.365 3.888 0.422 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.067 4.129 0.392 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.791 6.288 0.875 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.774 5.679 -0.478 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.335 6.676 -0.801 1.00 0.00 H new ATOM 950 N GLN A 62 15.717 2.506 -1.802 1.00 0.00 N ATOM 951 CA GLN A 62 17.046 2.031 -2.236 1.00 0.00 C ATOM 952 C GLN A 62 17.014 1.631 -3.720 1.00 0.00 C ATOM 953 O GLN A 62 18.009 1.789 -4.425 1.00 0.00 O ATOM 954 CB GLN A 62 17.500 0.821 -1.377 1.00 0.00 C ATOM 955 CG GLN A 62 17.696 1.144 0.111 1.00 0.00 C ATOM 956 CD GLN A 62 18.208 -0.041 0.922 1.00 0.00 C ATOM 957 OE1 GLN A 62 17.425 -0.814 1.470 1.00 0.00 O ATOM 958 NE2 GLN A 62 19.526 -0.204 0.989 1.00 0.00 N ATOM 0 H GLN A 62 15.224 1.853 -1.192 1.00 0.00 H new ATOM 0 HA GLN A 62 17.758 2.845 -2.102 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.761 0.026 -1.470 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.436 0.435 -1.780 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.399 1.972 0.207 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.748 1.480 0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.146 0.457 0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.917 -0.991 1.508 1.00 0.00 H new ATOM 967 N GLU A 63 15.853 1.107 -4.167 1.00 0.00 N ATOM 968 CA GLU A 63 15.626 0.714 -5.576 1.00 0.00 C ATOM 969 C GLU A 63 15.662 1.948 -6.493 1.00 0.00 C ATOM 970 O GLU A 63 16.288 1.920 -7.560 1.00 0.00 O ATOM 971 CB GLU A 63 14.275 -0.045 -5.739 1.00 0.00 C ATOM 972 CG GLU A 63 14.214 -1.411 -5.030 1.00 0.00 C ATOM 973 CD GLU A 63 12.895 -2.153 -5.276 1.00 0.00 C ATOM 974 OE1 GLU A 63 12.653 -2.570 -6.430 1.00 0.00 O ATOM 975 OE2 GLU A 63 12.085 -2.310 -4.336 1.00 0.00 O ATOM 0 H GLU A 63 15.047 0.944 -3.563 1.00 0.00 H new ATOM 0 HA GLU A 63 16.430 0.038 -5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.472 0.584 -5.355 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.083 -0.194 -6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.043 -2.030 -5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.348 -1.265 -3.958 1.00 0.00 H new ATOM 982 N VAL A 64 15.000 3.028 -6.039 1.00 0.00 N ATOM 983 CA VAL A 64 14.978 4.321 -6.740 1.00 0.00 C ATOM 984 C VAL A 64 16.412 4.892 -6.847 1.00 0.00 C ATOM 985 O VAL A 64 16.871 5.235 -7.945 1.00 0.00 O ATOM 986 CB VAL A 64 14.009 5.343 -6.028 1.00 0.00 C ATOM 987 CG1 VAL A 64 14.144 6.767 -6.625 1.00 0.00 C ATOM 988 CG2 VAL A 64 12.533 4.846 -6.097 1.00 0.00 C ATOM 0 H VAL A 64 14.464 3.026 -5.171 1.00 0.00 H new ATOM 0 HA VAL A 64 14.594 4.160 -7.747 1.00 0.00 H new ATOM 0 HB VAL A 64 14.301 5.400 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.462 7.444 -6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 64 15.168 7.119 -6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.897 6.741 -7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.883 5.566 -5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.232 4.744 -7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.451 3.880 -5.600 1.00 0.00 H new ATOM 998 N ASN A 65 17.111 4.952 -5.699 1.00 0.00 N ATOM 999 CA ASN A 65 18.493 5.473 -5.603 1.00 0.00 C ATOM 1000 C ASN A 65 19.503 4.641 -6.425 1.00 0.00 C ATOM 1001 O ASN A 65 20.490 5.193 -6.927 1.00 0.00 O ATOM 1002 CB ASN A 65 18.941 5.550 -4.111 1.00 0.00 C ATOM 1003 CG ASN A 65 18.091 6.502 -3.261 1.00 0.00 C ATOM 1004 OD1 ASN A 65 17.567 7.501 -3.755 1.00 0.00 O ATOM 1005 ND2 ASN A 65 17.956 6.206 -1.975 1.00 0.00 N ATOM 0 H ASN A 65 16.733 4.639 -4.805 1.00 0.00 H new ATOM 0 HA ASN A 65 18.485 6.475 -6.032 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.898 4.552 -3.676 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.982 5.871 -4.069 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.406 6.813 -1.367 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.402 5.371 -1.594 1.00 0.00 H new ATOM 1012 N ASP A 66 19.252 3.318 -6.563 1.00 0.00 N ATOM 1013 CA ASP A 66 20.166 2.390 -7.281 1.00 0.00 C ATOM 1014 C ASP A 66 19.825 2.300 -8.784 1.00 0.00 C ATOM 1015 O ASP A 66 20.628 1.784 -9.569 1.00 0.00 O ATOM 1016 CB ASP A 66 20.113 0.975 -6.632 1.00 0.00 C ATOM 1017 CG ASP A 66 21.257 0.038 -7.075 1.00 0.00 C ATOM 1018 OD1 ASP A 66 22.380 0.178 -6.553 1.00 0.00 O ATOM 1019 OD2 ASP A 66 21.040 -0.830 -7.945 1.00 0.00 O ATOM 0 H ASP A 66 18.420 2.865 -6.185 1.00 0.00 H new ATOM 0 HA ASP A 66 21.177 2.789 -7.195 1.00 0.00 H new ATOM 0 HB2 ASP A 66 20.144 1.082 -5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 66 19.159 0.509 -6.879 1.00 0.00 H new ATOM 1024 N GLY A 67 18.666 2.859 -9.184 1.00 0.00 N ATOM 1025 CA GLY A 67 18.157 2.709 -10.556 1.00 0.00 C ATOM 1026 C GLY A 67 17.491 1.355 -10.844 1.00 0.00 C ATOM 1027 O GLY A 67 17.199 1.046 -12.013 1.00 0.00 O ATOM 0 H GLY A 67 18.067 3.417 -8.575 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.436 3.503 -10.751 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.983 2.849 -11.254 1.00 0.00 H new ATOM 1031 N LYS A 68 17.252 0.543 -9.789 1.00 0.00 N ATOM 1032 CA LYS A 68 16.468 -0.719 -9.892 1.00 0.00 C ATOM 1033 C LYS A 68 15.016 -0.412 -10.305 1.00 0.00 C ATOM 1034 O LYS A 68 14.408 -1.130 -11.107 1.00 0.00 O ATOM 1035 CB LYS A 68 16.462 -1.484 -8.538 1.00 0.00 C ATOM 1036 CG LYS A 68 17.832 -1.988 -8.053 1.00 0.00 C ATOM 1037 CD LYS A 68 17.753 -2.671 -6.666 1.00 0.00 C ATOM 1038 CE LYS A 68 19.109 -3.207 -6.184 1.00 0.00 C ATOM 1039 NZ LYS A 68 19.005 -3.820 -4.836 1.00 0.00 N ATOM 0 H LYS A 68 17.592 0.738 -8.847 1.00 0.00 H new ATOM 0 HA LYS A 68 16.941 -1.344 -10.649 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.044 -0.829 -7.773 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.791 -2.339 -8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.235 -2.694 -8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 68 18.527 -1.150 -8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.371 -1.957 -5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.039 -3.493 -6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.482 -3.946 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.835 -2.394 -6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.938 -4.171 -4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.673 -3.107 -4.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.331 -4.611 -4.866 1.00 0.00 H new ATOM 1053 N ALA A 69 14.498 0.677 -9.739 1.00 0.00 N ATOM 1054 CA ALA A 69 13.158 1.206 -10.011 1.00 0.00 C ATOM 1055 C ALA A 69 13.240 2.740 -10.011 1.00 0.00 C ATOM 1056 O ALA A 69 14.309 3.312 -9.743 1.00 0.00 O ATOM 1057 CB ALA A 69 12.157 0.687 -8.965 1.00 0.00 C ATOM 0 H ALA A 69 15.013 1.234 -9.057 1.00 0.00 H new ATOM 0 HA ALA A 69 12.802 0.868 -10.984 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.166 1.088 -9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.124 -0.402 -9.002 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.471 1.007 -7.971 1.00 0.00 H new ATOM 1063 N THR A 70 12.130 3.410 -10.341 1.00 0.00 N ATOM 1064 CA THR A 70 12.075 4.883 -10.409 1.00 0.00 C ATOM 1065 C THR A 70 10.926 5.414 -9.512 1.00 0.00 C ATOM 1066 O THR A 70 10.066 4.634 -9.075 1.00 0.00 O ATOM 1067 CB THR A 70 11.925 5.354 -11.906 1.00 0.00 C ATOM 1068 OG1 THR A 70 12.708 4.515 -12.788 1.00 0.00 O ATOM 1069 CG2 THR A 70 12.392 6.806 -12.105 1.00 0.00 C ATOM 0 H THR A 70 11.247 2.954 -10.568 1.00 0.00 H new ATOM 0 HA THR A 70 13.008 5.300 -10.029 1.00 0.00 H new ATOM 0 HB THR A 70 10.864 5.280 -12.144 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.600 4.822 -13.712 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.270 7.087 -13.151 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.795 7.469 -11.479 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.442 6.892 -11.826 1.00 0.00 H new ATOM 1077 N THR A 71 10.953 6.736 -9.222 1.00 0.00 N ATOM 1078 CA THR A 71 10.046 7.393 -8.255 1.00 0.00 C ATOM 1079 C THR A 71 8.553 7.151 -8.564 1.00 0.00 C ATOM 1080 O THR A 71 7.862 6.544 -7.757 1.00 0.00 O ATOM 1081 CB THR A 71 10.319 8.937 -8.156 1.00 0.00 C ATOM 1082 OG1 THR A 71 10.273 9.528 -9.466 1.00 0.00 O ATOM 1083 CG2 THR A 71 11.671 9.240 -7.489 1.00 0.00 C ATOM 0 H THR A 71 11.612 7.381 -9.658 1.00 0.00 H new ATOM 0 HA THR A 71 10.265 6.929 -7.294 1.00 0.00 H new ATOM 0 HB THR A 71 9.539 9.371 -7.530 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.442 10.491 -9.397 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.819 10.319 -7.441 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.680 8.827 -6.480 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.474 8.789 -8.072 1.00 0.00 H new ATOM 1091 N GLU A 72 8.082 7.630 -9.737 1.00 0.00 N ATOM 1092 CA GLU A 72 6.641 7.592 -10.143 1.00 0.00 C ATOM 1093 C GLU A 72 5.984 6.195 -10.001 1.00 0.00 C ATOM 1094 O GLU A 72 4.788 6.087 -9.691 1.00 0.00 O ATOM 1095 CB GLU A 72 6.463 8.151 -11.600 1.00 0.00 C ATOM 1096 CG GLU A 72 6.931 7.240 -12.757 1.00 0.00 C ATOM 1097 CD GLU A 72 8.399 6.812 -12.651 1.00 0.00 C ATOM 1098 OE1 GLU A 72 9.279 7.693 -12.676 1.00 0.00 O ATOM 1099 OE2 GLU A 72 8.674 5.601 -12.522 1.00 0.00 O ATOM 0 H GLU A 72 8.686 8.058 -10.439 1.00 0.00 H new ATOM 0 HA GLU A 72 6.113 8.238 -9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.407 8.377 -11.751 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.004 9.095 -11.670 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.303 6.349 -12.783 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.782 7.762 -13.702 1.00 0.00 H new ATOM 1106 N GLN A 73 6.802 5.150 -10.199 1.00 0.00 N ATOM 1107 CA GLN A 73 6.380 3.736 -10.119 1.00 0.00 C ATOM 1108 C GLN A 73 5.832 3.397 -8.704 1.00 0.00 C ATOM 1109 O GLN A 73 4.930 2.568 -8.556 1.00 0.00 O ATOM 1110 CB GLN A 73 7.585 2.836 -10.548 1.00 0.00 C ATOM 1111 CG GLN A 73 7.258 1.349 -10.844 1.00 0.00 C ATOM 1112 CD GLN A 73 7.459 0.419 -9.652 1.00 0.00 C ATOM 1113 OE1 GLN A 73 6.552 0.196 -8.857 1.00 0.00 O ATOM 1114 NE2 GLN A 73 8.663 -0.120 -9.519 1.00 0.00 N ATOM 0 H GLN A 73 7.791 5.261 -10.423 1.00 0.00 H new ATOM 0 HA GLN A 73 5.553 3.544 -10.803 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.037 3.271 -11.439 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.337 2.871 -9.759 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.223 1.275 -11.179 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.885 1.007 -11.668 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.393 0.088 -10.200 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.859 -0.743 -8.736 1.00 0.00 H new ATOM 1123 N TYR A 74 6.364 4.079 -7.676 1.00 0.00 N ATOM 1124 CA TYR A 74 5.902 3.931 -6.277 1.00 0.00 C ATOM 1125 C TYR A 74 5.148 5.179 -5.786 1.00 0.00 C ATOM 1126 O TYR A 74 4.263 5.066 -4.941 1.00 0.00 O ATOM 1127 CB TYR A 74 7.106 3.671 -5.332 1.00 0.00 C ATOM 1128 CG TYR A 74 7.922 2.422 -5.672 1.00 0.00 C ATOM 1129 CD1 TYR A 74 7.321 1.165 -5.685 1.00 0.00 C ATOM 1130 CD2 TYR A 74 9.284 2.496 -5.979 1.00 0.00 C ATOM 1131 CE1 TYR A 74 8.038 0.030 -5.995 1.00 0.00 C ATOM 1132 CE2 TYR A 74 10.002 1.363 -6.293 1.00 0.00 C ATOM 1133 CZ TYR A 74 9.376 0.133 -6.295 1.00 0.00 C ATOM 1134 OH TYR A 74 10.087 -0.995 -6.624 1.00 0.00 O ATOM 0 H TYR A 74 7.126 4.749 -7.786 1.00 0.00 H new ATOM 0 HA TYR A 74 5.219 3.081 -6.258 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.766 4.538 -5.358 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.737 3.581 -4.310 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.271 1.079 -5.447 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.780 3.455 -5.970 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.552 -0.935 -6.002 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.052 1.437 -6.537 1.00 0.00 H new ATOM 0 HH TYR A 74 11.018 -0.752 -6.809 1.00 0.00 H new ATOM 1144 N PHE A 75 5.501 6.365 -6.314 1.00 0.00 N ATOM 1145 CA PHE A 75 5.148 7.667 -5.700 1.00 0.00 C ATOM 1146 C PHE A 75 4.138 8.482 -6.544 1.00 0.00 C ATOM 1147 O PHE A 75 3.961 9.662 -6.287 1.00 0.00 O ATOM 1148 CB PHE A 75 6.440 8.498 -5.462 1.00 0.00 C ATOM 1149 CG PHE A 75 7.384 7.956 -4.378 1.00 0.00 C ATOM 1150 CD1 PHE A 75 7.185 8.287 -3.040 1.00 0.00 C ATOM 1151 CD2 PHE A 75 8.476 7.143 -4.696 1.00 0.00 C ATOM 1152 CE1 PHE A 75 8.044 7.829 -2.058 1.00 0.00 C ATOM 1153 CE2 PHE A 75 9.332 6.683 -3.714 1.00 0.00 C ATOM 1154 CZ PHE A 75 9.117 7.025 -2.394 1.00 0.00 C ATOM 0 H PHE A 75 6.038 6.453 -7.177 1.00 0.00 H new ATOM 0 HA PHE A 75 4.657 7.452 -4.751 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.990 8.559 -6.401 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.153 9.515 -5.194 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.347 8.911 -2.765 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.653 6.870 -5.726 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.876 8.100 -1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.170 6.055 -3.979 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.785 6.665 -1.626 1.00 0.00 H new ATOM 1164 N VAL A 76 3.471 7.867 -7.535 1.00 0.00 N ATOM 1165 CA VAL A 76 2.243 8.452 -8.134 1.00 0.00 C ATOM 1166 C VAL A 76 1.062 7.807 -7.411 1.00 0.00 C ATOM 1167 O VAL A 76 1.010 6.604 -7.325 1.00 0.00 O ATOM 1168 CB VAL A 76 2.141 8.249 -9.700 1.00 0.00 C ATOM 1169 CG1 VAL A 76 0.724 8.570 -10.239 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.191 9.115 -10.435 1.00 0.00 C ATOM 0 H VAL A 76 3.752 6.974 -7.940 1.00 0.00 H new ATOM 0 HA VAL A 76 2.256 9.534 -8.004 1.00 0.00 H new ATOM 0 HB VAL A 76 2.342 7.196 -9.896 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.702 8.417 -11.318 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.004 7.912 -9.764 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.476 9.607 -10.015 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.103 8.960 -11.510 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.020 10.167 -10.205 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.191 8.830 -10.108 1.00 0.00 H new ATOM 1180 N LEU A 77 0.141 8.626 -6.907 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.865 8.218 -5.903 1.00 0.00 C ATOM 1182 C LEU A 77 -1.791 7.064 -6.361 1.00 0.00 C ATOM 1183 O LEU A 77 -2.334 6.358 -5.514 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.678 9.454 -5.464 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.827 10.659 -4.948 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -1.718 11.803 -4.465 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.192 10.230 -3.864 1.00 0.00 C ATOM 0 H LEU A 77 0.063 9.605 -7.181 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.318 7.810 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.282 9.790 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.369 9.154 -4.676 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.248 11.029 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.095 12.625 -4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.344 12.149 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.351 11.452 -3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.761 11.100 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.339 9.801 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.873 9.487 -4.279 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.969 6.875 -7.689 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.727 5.716 -8.236 1.00 0.00 C ATOM 1201 C LYS A 78 -1.836 4.452 -8.255 1.00 0.00 C ATOM 1202 O LYS A 78 -2.308 3.350 -7.965 1.00 0.00 O ATOM 1203 CB LYS A 78 -3.285 6.022 -9.658 1.00 0.00 C ATOM 1204 CG LYS A 78 -2.221 6.336 -10.735 1.00 0.00 C ATOM 1205 CD LYS A 78 -2.824 6.707 -12.104 1.00 0.00 C ATOM 1206 CE LYS A 78 -1.742 6.974 -13.168 1.00 0.00 C ATOM 1207 NZ LYS A 78 -0.866 5.789 -13.391 1.00 0.00 N ATOM 0 H LYS A 78 -1.601 7.505 -8.402 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.579 5.531 -7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.873 5.167 -9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.967 6.869 -9.588 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.595 7.158 -10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.571 5.469 -10.856 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.472 5.899 -12.444 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.449 7.593 -11.995 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.220 7.252 -14.107 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.131 7.822 -12.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.243 5.966 -14.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.288 5.620 -12.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.455 4.953 -13.581 1.00 0.00 H new ATOM 1221 N ASN A 79 -0.537 4.648 -8.591 1.00 0.00 N ATOM 1222 CA ASN A 79 0.496 3.575 -8.597 1.00 0.00 C ATOM 1223 C ASN A 79 0.731 3.081 -7.168 1.00 0.00 C ATOM 1224 O ASN A 79 0.813 1.884 -6.935 1.00 0.00 O ATOM 1225 CB ASN A 79 1.847 4.085 -9.195 1.00 0.00 C ATOM 1226 CG ASN A 79 1.769 4.516 -10.657 1.00 0.00 C ATOM 1227 OD1 ASN A 79 0.721 4.929 -11.145 1.00 0.00 O ATOM 1228 ND2 ASN A 79 2.893 4.453 -11.358 1.00 0.00 N ATOM 0 H ASN A 79 -0.172 5.559 -8.867 1.00 0.00 H new ATOM 0 HA ASN A 79 0.131 2.760 -9.222 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.199 4.927 -8.599 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.592 3.295 -9.101 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.904 4.753 -12.333 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.747 4.105 -10.922 1.00 0.00 H new ATOM 1235 N LEU A 80 0.812 4.047 -6.234 1.00 0.00 N ATOM 1236 CA LEU A 80 0.971 3.807 -4.801 1.00 0.00 C ATOM 1237 C LEU A 80 -0.240 3.036 -4.279 1.00 0.00 C ATOM 1238 O LEU A 80 -0.078 2.025 -3.616 1.00 0.00 O ATOM 1239 CB LEU A 80 1.117 5.158 -4.039 1.00 0.00 C ATOM 1240 CG LEU A 80 1.285 5.066 -2.484 1.00 0.00 C ATOM 1241 CD1 LEU A 80 2.576 4.305 -2.085 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.208 6.465 -1.826 1.00 0.00 C ATOM 0 H LEU A 80 0.767 5.039 -6.469 1.00 0.00 H new ATOM 0 HA LEU A 80 1.873 3.219 -4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.979 5.688 -4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.239 5.767 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 80 0.449 4.482 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.653 4.264 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.539 3.291 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.444 4.824 -2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.328 6.367 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.001 7.098 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.240 6.917 -2.044 1.00 0.00 H new ATOM 1254 N ALA A 81 -1.458 3.504 -4.647 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.726 2.869 -4.230 1.00 0.00 C ATOM 1256 C ALA A 81 -2.833 1.438 -4.784 1.00 0.00 C ATOM 1257 O ALA A 81 -3.494 0.583 -4.190 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.930 3.719 -4.672 1.00 0.00 C ATOM 0 H ALA A 81 -1.585 4.326 -5.237 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.733 2.808 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.853 3.234 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.864 4.707 -4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.926 3.819 -5.757 1.00 0.00 H new ATOM 1264 N ALA A 82 -2.153 1.180 -5.914 1.00 0.00 N ATOM 1265 CA ALA A 82 -2.096 -0.155 -6.520 1.00 0.00 C ATOM 1266 C ALA A 82 -1.078 -1.037 -5.765 1.00 0.00 C ATOM 1267 O ALA A 82 -1.357 -2.201 -5.508 1.00 0.00 O ATOM 1268 CB ALA A 82 -1.754 -0.047 -8.013 1.00 0.00 C ATOM 0 H ALA A 82 -1.631 1.889 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.074 -0.629 -6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.715 -1.045 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.519 0.542 -8.520 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.785 0.439 -8.130 1.00 0.00 H new ATOM 1274 N ARG A 83 0.089 -0.442 -5.396 1.00 0.00 N ATOM 1275 CA ARG A 83 1.166 -1.131 -4.618 1.00 0.00 C ATOM 1276 C ARG A 83 0.618 -1.653 -3.282 1.00 0.00 C ATOM 1277 O ARG A 83 0.828 -2.808 -2.916 1.00 0.00 O ATOM 1278 CB ARG A 83 2.354 -0.162 -4.341 1.00 0.00 C ATOM 1279 CG ARG A 83 3.144 0.337 -5.579 1.00 0.00 C ATOM 1280 CD ARG A 83 4.194 -0.662 -6.119 1.00 0.00 C ATOM 1281 NE ARG A 83 3.622 -1.848 -6.794 1.00 0.00 N ATOM 1282 CZ ARG A 83 4.282 -2.598 -7.697 1.00 0.00 C ATOM 1283 NH1 ARG A 83 5.484 -2.251 -8.134 1.00 0.00 N ATOM 1284 NH2 ARG A 83 3.714 -3.685 -8.203 1.00 0.00 N ATOM 0 H ARG A 83 0.313 0.526 -5.627 1.00 0.00 H new ATOM 0 HA ARG A 83 1.521 -1.971 -5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.968 0.708 -3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.052 -0.662 -3.670 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.437 0.567 -6.376 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.647 1.269 -5.321 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.847 -0.141 -6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.818 -0.997 -5.291 1.00 0.00 H new ATOM 0 HE ARG A 83 2.666 -2.115 -6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.927 -1.401 -7.786 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.966 -2.834 -8.818 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.775 -3.954 -7.908 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.216 -4.251 -8.887 1.00 0.00 H new ATOM 1298 N ILE A 84 -0.110 -0.761 -2.592 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.757 -1.036 -1.302 1.00 0.00 C ATOM 1300 C ILE A 84 -1.800 -2.154 -1.478 1.00 0.00 C ATOM 1301 O ILE A 84 -1.733 -3.164 -0.791 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.446 0.268 -0.768 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -0.405 1.421 -0.624 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -2.197 0.025 0.568 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -1.003 2.803 -0.453 1.00 0.00 C ATOM 0 H ILE A 84 -0.268 0.191 -2.923 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.008 -1.360 -0.580 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.193 0.567 -1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.234 1.209 0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.236 1.425 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.659 0.955 0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.969 -0.730 0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.492 -0.320 1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.202 3.537 -0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.618 3.043 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.619 2.824 0.446 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.699 -1.967 -2.466 1.00 0.00 N ATOM 1318 CA ASP A 85 -3.823 -2.891 -2.747 1.00 0.00 C ATOM 1319 C ASP A 85 -3.327 -4.325 -3.073 1.00 0.00 C ATOM 1320 O ASP A 85 -3.956 -5.310 -2.669 1.00 0.00 O ATOM 1321 CB ASP A 85 -4.686 -2.322 -3.906 1.00 0.00 C ATOM 1322 CG ASP A 85 -5.900 -3.191 -4.266 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -6.917 -3.140 -3.540 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -5.835 -3.944 -5.262 1.00 0.00 O ATOM 0 H ASP A 85 -2.667 -1.166 -3.097 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.435 -2.968 -1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.034 -1.326 -3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.059 -2.208 -4.790 1.00 0.00 H new ATOM 1329 N GLU A 86 -2.188 -4.420 -3.789 1.00 0.00 N ATOM 1330 CA GLU A 86 -1.515 -5.701 -4.083 1.00 0.00 C ATOM 1331 C GLU A 86 -1.073 -6.369 -2.779 1.00 0.00 C ATOM 1332 O GLU A 86 -1.332 -7.547 -2.566 1.00 0.00 O ATOM 1333 CB GLU A 86 -0.286 -5.472 -4.995 1.00 0.00 C ATOM 1334 CG GLU A 86 -0.622 -5.085 -6.436 1.00 0.00 C ATOM 1335 CD GLU A 86 0.627 -4.657 -7.216 1.00 0.00 C ATOM 1336 OE1 GLU A 86 1.083 -3.515 -7.023 1.00 0.00 O ATOM 1337 OE2 GLU A 86 1.179 -5.463 -8.001 1.00 0.00 O ATOM 0 H GLU A 86 -1.709 -3.609 -4.180 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.219 -6.351 -4.602 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.333 -4.688 -4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.314 -6.382 -5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.093 -5.930 -6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.346 -4.271 -6.434 1.00 0.00 H new ATOM 1344 N LEU A 87 -0.429 -5.579 -1.905 1.00 0.00 N ATOM 1345 CA LEU A 87 0.125 -6.070 -0.633 1.00 0.00 C ATOM 1346 C LEU A 87 -0.986 -6.385 0.395 1.00 0.00 C ATOM 1347 O LEU A 87 -0.775 -7.211 1.269 1.00 0.00 O ATOM 1348 CB LEU A 87 1.145 -5.050 -0.062 1.00 0.00 C ATOM 1349 CG LEU A 87 2.399 -4.775 -0.953 1.00 0.00 C ATOM 1350 CD1 LEU A 87 3.305 -3.708 -0.320 1.00 0.00 C ATOM 1351 CD2 LEU A 87 3.178 -6.073 -1.266 1.00 0.00 C ATOM 0 H LEU A 87 -0.278 -4.582 -2.060 1.00 0.00 H new ATOM 0 HA LEU A 87 0.645 -7.006 -0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.629 -4.105 0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.484 -5.408 0.910 1.00 0.00 H new ATOM 0 HG LEU A 87 2.043 -4.383 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.169 -3.537 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.748 -2.778 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.642 -4.051 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.042 -5.838 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.514 -6.529 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.528 -6.769 -1.797 1.00 0.00 H new ATOM 1363 N VAL A 88 -2.156 -5.720 0.279 1.00 0.00 N ATOM 1364 CA VAL A 88 -3.329 -5.975 1.150 1.00 0.00 C ATOM 1365 C VAL A 88 -4.009 -7.297 0.756 1.00 0.00 C ATOM 1366 O VAL A 88 -4.339 -8.114 1.621 1.00 0.00 O ATOM 1367 CB VAL A 88 -4.362 -4.785 1.103 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -5.626 -5.104 1.936 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -3.717 -3.463 1.583 1.00 0.00 C ATOM 0 H VAL A 88 -2.316 -4.993 -0.418 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.969 -6.054 2.176 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.664 -4.659 0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.318 -4.264 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.108 -5.997 1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.343 -5.276 2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.454 -2.661 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.369 -3.580 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.873 -3.215 0.939 1.00 0.00 H new ATOM 1379 N ALA A 89 -4.184 -7.503 -0.562 1.00 0.00 N ATOM 1380 CA ALA A 89 -4.755 -8.748 -1.119 1.00 0.00 C ATOM 1381 C ALA A 89 -3.803 -9.931 -0.853 1.00 0.00 C ATOM 1382 O ALA A 89 -4.243 -11.059 -0.591 1.00 0.00 O ATOM 1383 CB ALA A 89 -5.020 -8.577 -2.626 1.00 0.00 C ATOM 0 H ALA A 89 -3.935 -6.814 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.705 -8.960 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.440 -9.499 -3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.724 -7.759 -2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.084 -8.352 -3.137 1.00 0.00 H new ATOM 1389 N ALA A 90 -2.492 -9.631 -0.902 1.00 0.00 N ATOM 1390 CA ALA A 90 -1.424 -10.593 -0.593 1.00 0.00 C ATOM 1391 C ALA A 90 -1.428 -10.942 0.903 1.00 0.00 C ATOM 1392 O ALA A 90 -1.397 -12.101 1.259 1.00 0.00 O ATOM 1393 CB ALA A 90 -0.055 -10.033 -1.008 1.00 0.00 C ATOM 0 H ALA A 90 -2.144 -8.707 -1.159 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.611 -11.504 -1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.722 -10.760 -0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.053 -9.835 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.138 -9.106 -0.468 1.00 0.00 H new