USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 454 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 10 MET CE :methyl 166:sc= 0 (180deg=-0.123) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 143:sc= 0.542 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 166:sc= 0.368 USER MOD Single : A 24 ASN : amide:sc= -2.04! C(o=-2!,f=-2.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -23:sc= 0.0235 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.435 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.487 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 170:sc= -0.209 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -5.625 -7.713 2.971 1.00 0.00 N ATOM 67 CA ARG A 8 -6.790 -6.853 2.801 1.00 0.00 C ATOM 68 C ARG A 8 -6.585 -5.883 1.641 1.00 0.00 C ATOM 69 O ARG A 8 -5.509 -5.306 1.484 1.00 0.00 O ATOM 70 CB ARG A 8 -7.067 -6.074 4.089 1.00 0.00 C ATOM 71 CG ARG A 8 -6.062 -4.966 4.358 1.00 0.00 C ATOM 72 CD ARG A 8 -6.484 -4.106 5.539 1.00 0.00 C ATOM 73 NE ARG A 8 -6.111 -4.709 6.816 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.910 -4.577 7.368 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.971 -3.867 6.757 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.646 -5.155 8.532 1.00 0.00 N ATOM 0 HA ARG A 8 -7.648 -7.486 2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.066 -5.642 4.034 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.065 -6.767 4.930 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.083 -5.402 4.555 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.960 -4.342 3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.023 -3.122 5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.563 -3.956 5.511 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.811 -5.262 7.311 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.170 -3.421 5.862 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.049 -3.767 7.183 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.366 -5.702 9.005 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.723 -5.053 8.955 1.00 0.00 H new ATOM 90 N ARG A 9 -7.624 -5.709 0.832 1.00 0.00 N ATOM 91 CA ARG A 9 -7.558 -4.811 -0.315 1.00 0.00 C ATOM 92 C ARG A 9 -7.803 -3.367 0.111 1.00 0.00 C ATOM 93 O ARG A 9 -8.879 -3.028 0.601 1.00 0.00 O ATOM 94 CB ARG A 9 -8.584 -5.223 -1.373 1.00 0.00 C ATOM 95 CG ARG A 9 -8.226 -6.509 -2.100 1.00 0.00 C ATOM 96 CD ARG A 9 -9.469 -7.259 -2.550 1.00 0.00 C ATOM 97 NE ARG A 9 -10.249 -7.755 -1.419 1.00 0.00 N ATOM 98 CZ ARG A 9 -11.349 -8.487 -1.549 1.00 0.00 C ATOM 99 NH1 ARG A 9 -11.798 -8.807 -2.755 1.00 0.00 N ATOM 100 NH2 ARG A 9 -12.004 -8.901 -0.472 1.00 0.00 N ATOM 0 H ARG A 9 -8.522 -6.178 0.949 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.558 -4.881 -0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.557 -5.344 -0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.684 -4.419 -2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.606 -6.278 -2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.633 -7.146 -1.444 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.090 -6.600 -3.157 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.177 -8.096 -3.184 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.931 -7.526 -0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.298 -8.491 -3.586 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.643 -9.370 -2.852 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.663 -8.657 0.458 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.849 -9.463 -0.574 1.00 0.00 H new ATOM 114 N MET A 10 -6.796 -2.520 -0.079 1.00 0.00 N ATOM 115 CA MET A 10 -6.903 -1.112 0.285 1.00 0.00 C ATOM 116 C MET A 10 -7.047 -0.239 -0.957 1.00 0.00 C ATOM 117 O MET A 10 -6.504 -0.554 -2.016 1.00 0.00 O ATOM 118 CB MET A 10 -5.675 -0.677 1.089 1.00 0.00 C ATOM 119 CG MET A 10 -5.229 -1.701 2.119 1.00 0.00 C ATOM 120 SD MET A 10 -4.188 -0.984 3.405 1.00 0.00 S ATOM 121 CE MET A 10 -5.413 -0.136 4.399 1.00 0.00 C ATOM 0 H MET A 10 -5.897 -2.784 -0.483 1.00 0.00 H new ATOM 0 HA MET A 10 -7.794 -0.988 0.900 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.851 -0.482 0.402 1.00 0.00 H new ATOM 0 HB3 MET A 10 -5.897 0.263 1.595 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.107 -2.155 2.579 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.683 -2.500 1.618 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.974 0.144 5.356 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.748 0.760 3.877 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.264 -0.796 4.569 1.00 0.00 H new ATOM 131 N VAL A 11 -7.784 0.859 -0.820 1.00 0.00 N ATOM 132 CA VAL A 11 -7.999 1.778 -1.931 1.00 0.00 C ATOM 133 C VAL A 11 -7.138 3.028 -1.786 1.00 0.00 C ATOM 134 O VAL A 11 -7.310 3.806 -0.848 1.00 0.00 O ATOM 135 CB VAL A 11 -9.478 2.196 -2.036 1.00 0.00 C ATOM 136 CG1 VAL A 11 -9.903 2.969 -0.797 1.00 0.00 C ATOM 137 CG2 VAL A 11 -9.712 3.019 -3.294 1.00 0.00 C ATOM 0 H VAL A 11 -8.242 1.133 0.049 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.714 1.248 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.088 1.295 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.950 3.256 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.775 2.342 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.289 3.864 -0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.762 3.305 -3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.093 3.915 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.449 2.427 -4.170 1.00 0.00 H new ATOM 147 N ALA A 12 -6.212 3.215 -2.720 1.00 0.00 N ATOM 148 CA ALA A 12 -5.326 4.371 -2.698 1.00 0.00 C ATOM 149 C ALA A 12 -6.119 5.669 -2.584 1.00 0.00 C ATOM 150 O ALA A 12 -6.742 6.115 -3.549 1.00 0.00 O ATOM 151 CB ALA A 12 -4.453 4.392 -3.944 1.00 0.00 C ATOM 0 H ALA A 12 -6.056 2.579 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.685 4.289 -1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.796 5.261 -3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.851 3.484 -3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.085 4.446 -4.830 1.00 0.00 H new ATOM 157 N LEU A 13 -6.094 6.270 -1.400 1.00 0.00 N ATOM 158 CA LEU A 13 -6.812 7.517 -1.160 1.00 0.00 C ATOM 159 C LEU A 13 -6.177 8.669 -1.932 1.00 0.00 C ATOM 160 O LEU A 13 -6.866 9.590 -2.371 1.00 0.00 O ATOM 161 CB LEU A 13 -6.829 7.839 0.336 1.00 0.00 C ATOM 162 CG LEU A 13 -7.618 6.874 1.221 1.00 0.00 C ATOM 163 CD1 LEU A 13 -7.288 7.104 2.688 1.00 0.00 C ATOM 164 CD2 LEU A 13 -9.112 7.028 0.979 1.00 0.00 C ATOM 0 H LEU A 13 -5.584 5.914 -0.591 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.836 7.390 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.799 7.868 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.240 8.840 0.467 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.331 5.855 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.859 6.408 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.222 6.942 2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.546 8.127 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.658 6.333 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.415 8.049 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.335 6.812 -0.066 1.00 0.00 H new ATOM 176 N TYR A 14 -4.860 8.609 -2.096 1.00 0.00 N ATOM 177 CA TYR A 14 -4.132 9.647 -2.816 1.00 0.00 C ATOM 178 C TYR A 14 -2.934 9.059 -3.556 1.00 0.00 C ATOM 179 O TYR A 14 -2.152 8.297 -2.987 1.00 0.00 O ATOM 180 CB TYR A 14 -3.663 10.735 -1.848 1.00 0.00 C ATOM 181 CG TYR A 14 -4.700 11.113 -0.814 1.00 0.00 C ATOM 182 CD1 TYR A 14 -4.803 10.414 0.382 1.00 0.00 C ATOM 183 CD2 TYR A 14 -5.575 12.169 -1.034 1.00 0.00 C ATOM 184 CE1 TYR A 14 -5.749 10.755 1.329 1.00 0.00 C ATOM 185 CE2 TYR A 14 -6.523 12.519 -0.091 1.00 0.00 C ATOM 186 CZ TYR A 14 -6.606 11.808 1.088 1.00 0.00 C ATOM 187 OH TYR A 14 -7.549 12.152 2.030 1.00 0.00 O ATOM 0 H TYR A 14 -4.275 7.853 -1.740 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.808 10.088 -3.548 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.762 10.393 -1.339 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.389 11.623 -2.418 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.132 9.590 0.575 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.514 12.726 -1.957 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.817 10.200 2.253 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.195 13.344 -0.276 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.072 12.915 1.706 1.00 0.00 H new ATOM 197 N ASP A 15 -2.798 9.419 -4.827 1.00 0.00 N ATOM 198 CA ASP A 15 -1.695 8.929 -5.647 1.00 0.00 C ATOM 199 C ASP A 15 -0.375 9.014 -4.888 1.00 0.00 C ATOM 200 O ASP A 15 -0.076 10.027 -4.253 1.00 0.00 O ATOM 201 CB ASP A 15 -1.603 9.729 -6.947 1.00 0.00 C ATOM 202 CG ASP A 15 -0.185 9.814 -7.476 1.00 0.00 C ATOM 203 OD1 ASP A 15 0.488 8.763 -7.540 1.00 0.00 O ATOM 204 OD2 ASP A 15 0.252 10.930 -7.826 1.00 0.00 O ATOM 0 H ASP A 15 -3.437 10.048 -5.313 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.889 7.884 -5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.241 9.267 -7.700 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.986 10.736 -6.778 1.00 0.00 H new ATOM 209 N TYR A 16 0.411 7.946 -4.956 1.00 0.00 N ATOM 210 CA TYR A 16 1.698 7.898 -4.273 1.00 0.00 C ATOM 211 C TYR A 16 2.847 7.869 -5.276 1.00 0.00 C ATOM 212 O TYR A 16 2.670 7.474 -6.428 1.00 0.00 O ATOM 213 CB TYR A 16 1.771 6.672 -3.362 1.00 0.00 C ATOM 214 CG TYR A 16 3.093 6.530 -2.642 1.00 0.00 C ATOM 215 CD1 TYR A 16 3.439 7.392 -1.608 1.00 0.00 C ATOM 216 CD2 TYR A 16 3.995 5.534 -2.995 1.00 0.00 C ATOM 217 CE1 TYR A 16 4.646 7.266 -0.948 1.00 0.00 C ATOM 218 CE2 TYR A 16 5.204 5.401 -2.339 1.00 0.00 C ATOM 219 CZ TYR A 16 5.524 6.269 -1.316 1.00 0.00 C ATOM 220 OH TYR A 16 6.728 6.140 -0.661 1.00 0.00 O ATOM 0 H TYR A 16 0.179 7.101 -5.478 1.00 0.00 H new ATOM 0 HA TYR A 16 1.792 8.799 -3.667 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.970 6.729 -2.625 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.593 5.776 -3.957 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.753 8.173 -1.316 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.747 4.852 -3.795 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.900 7.945 -0.148 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.894 4.622 -2.626 1.00 0.00 H new ATOM 0 HH TYR A 16 6.945 5.190 -0.559 1.00 0.00 H new ATOM 230 N ASP A 17 4.025 8.291 -4.829 1.00 0.00 N ATOM 231 CA ASP A 17 5.205 8.312 -5.686 1.00 0.00 C ATOM 232 C ASP A 17 6.482 8.279 -4.852 1.00 0.00 C ATOM 233 O ASP A 17 6.874 9.268 -4.233 1.00 0.00 O ATOM 234 CB ASP A 17 5.193 9.557 -6.575 1.00 0.00 C ATOM 235 CG ASP A 17 4.491 9.318 -7.897 1.00 0.00 C ATOM 236 OD1 ASP A 17 5.128 8.761 -8.815 1.00 0.00 O ATOM 237 OD2 ASP A 17 3.304 9.686 -8.012 1.00 0.00 O ATOM 0 H ASP A 17 4.188 8.623 -3.878 1.00 0.00 H new ATOM 0 HA ASP A 17 5.182 7.424 -6.318 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.699 10.372 -6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.218 9.875 -6.764 1.00 0.00 H new ATOM 242 N PRO A 18 7.147 7.115 -4.834 1.00 0.00 N ATOM 243 CA PRO A 18 8.390 6.924 -4.080 1.00 0.00 C ATOM 244 C PRO A 18 9.558 7.694 -4.684 1.00 0.00 C ATOM 245 O PRO A 18 10.688 7.605 -4.204 1.00 0.00 O ATOM 246 CB PRO A 18 8.636 5.416 -4.177 1.00 0.00 C ATOM 247 CG PRO A 18 7.939 4.998 -5.425 1.00 0.00 C ATOM 248 CD PRO A 18 6.737 5.894 -5.549 1.00 0.00 C ATOM 0 HA PRO A 18 8.307 7.291 -3.057 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.701 5.191 -4.224 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.238 4.893 -3.307 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.593 5.101 -6.291 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.641 3.951 -5.374 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.496 6.101 -6.592 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.852 5.443 -5.100 1.00 0.00 H new ATOM 256 N ARG A 19 9.279 8.452 -5.740 1.00 0.00 N ATOM 257 CA ARG A 19 10.308 9.237 -6.411 1.00 0.00 C ATOM 258 C ARG A 19 10.326 10.670 -5.887 1.00 0.00 C ATOM 259 O ARG A 19 11.263 11.424 -6.147 1.00 0.00 O ATOM 260 CB ARG A 19 10.076 9.238 -7.923 1.00 0.00 C ATOM 261 CG ARG A 19 10.513 7.953 -8.607 1.00 0.00 C ATOM 262 CD ARG A 19 9.852 7.793 -9.967 1.00 0.00 C ATOM 263 NE ARG A 19 10.173 6.509 -10.584 1.00 0.00 N ATOM 264 CZ ARG A 19 11.308 6.268 -11.231 1.00 0.00 C ATOM 265 NH1 ARG A 19 12.225 7.219 -11.344 1.00 0.00 N ATOM 266 NH2 ARG A 19 11.528 5.074 -11.766 1.00 0.00 N ATOM 0 H ARG A 19 8.349 8.539 -6.149 1.00 0.00 H new ATOM 0 HA ARG A 19 11.274 8.779 -6.200 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.016 9.402 -8.119 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.615 10.076 -8.364 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.597 7.953 -8.726 1.00 0.00 H new ATOM 0 HG3 ARG A 19 10.261 7.100 -7.976 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.771 7.882 -9.857 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.174 8.601 -10.624 1.00 0.00 H new ATOM 0 HE ARG A 19 9.488 5.756 -10.514 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.060 8.138 -10.934 1.00 0.00 H new ATOM 0 HH12 ARG A 19 13.096 7.031 -11.841 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.825 4.340 -11.681 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.400 4.890 -12.262 1.00 0.00 H new ATOM 280 N GLU A 20 9.283 11.038 -5.149 1.00 0.00 N ATOM 281 CA GLU A 20 9.179 12.381 -4.591 1.00 0.00 C ATOM 282 C GLU A 20 8.936 12.327 -3.085 1.00 0.00 C ATOM 283 O GLU A 20 9.697 12.896 -2.302 1.00 0.00 O ATOM 284 CB GLU A 20 8.048 13.154 -5.273 1.00 0.00 C ATOM 285 CG GLU A 20 8.422 13.695 -6.643 1.00 0.00 C ATOM 286 CD GLU A 20 7.543 14.854 -7.072 1.00 0.00 C ATOM 287 OE1 GLU A 20 7.721 15.965 -6.530 1.00 0.00 O ATOM 288 OE2 GLU A 20 6.678 14.651 -7.949 1.00 0.00 O ATOM 0 H GLU A 20 8.499 10.425 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 20 10.123 12.896 -4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.181 12.500 -5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.749 13.984 -4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.463 14.019 -6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.346 12.894 -7.379 1.00 0.00 H new ATOM 295 N SER A 21 7.870 11.639 -2.688 1.00 0.00 N ATOM 296 CA SER A 21 7.524 11.514 -1.277 1.00 0.00 C ATOM 297 C SER A 21 8.619 10.778 -0.512 1.00 0.00 C ATOM 298 O SER A 21 9.135 11.276 0.489 1.00 0.00 O ATOM 299 CB SER A 21 6.192 10.776 -1.120 1.00 0.00 C ATOM 300 OG SER A 21 5.183 11.371 -1.917 1.00 0.00 O ATOM 0 H SER A 21 7.232 11.160 -3.323 1.00 0.00 H new ATOM 0 HA SER A 21 7.427 12.517 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.316 9.731 -1.405 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.887 10.787 -0.074 1.00 0.00 H new ATOM 0 HG SER A 21 4.343 10.881 -1.801 1.00 0.00 H new ATOM 306 N SER A 22 8.969 9.588 -0.991 1.00 0.00 N ATOM 307 CA SER A 22 10.001 8.780 -0.350 1.00 0.00 C ATOM 308 C SER A 22 11.371 9.436 -0.493 1.00 0.00 C ATOM 309 O SER A 22 11.702 10.025 -1.523 1.00 0.00 O ATOM 310 CB SER A 22 10.029 7.377 -0.958 1.00 0.00 C ATOM 311 OG SER A 22 10.752 6.479 -0.134 1.00 0.00 O ATOM 0 H SER A 22 8.554 9.162 -1.820 1.00 0.00 H new ATOM 0 HA SER A 22 9.763 8.704 0.711 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.010 7.014 -1.090 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.485 7.415 -1.947 1.00 0.00 H new ATOM 0 HG SER A 22 10.570 5.558 -0.416 1.00 0.00 H new ATOM 317 N PRO A 23 12.188 9.333 0.565 1.00 0.00 N ATOM 318 CA PRO A 23 13.536 9.909 0.584 1.00 0.00 C ATOM 319 C PRO A 23 14.493 9.175 -0.350 1.00 0.00 C ATOM 320 O PRO A 23 15.694 9.439 -0.355 1.00 0.00 O ATOM 321 CB PRO A 23 13.975 9.738 2.040 1.00 0.00 C ATOM 322 CG PRO A 23 13.180 8.583 2.543 1.00 0.00 C ATOM 323 CD PRO A 23 11.860 8.646 1.826 1.00 0.00 C ATOM 0 HA PRO A 23 13.542 10.944 0.242 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.045 9.543 2.110 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.777 10.638 2.622 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.689 7.641 2.341 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.041 8.645 3.622 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.452 7.651 1.647 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.116 9.197 2.402 1.00 0.00 H new ATOM 331 N ASN A 24 13.951 8.253 -1.140 1.00 0.00 N ATOM 332 CA ASN A 24 14.757 7.481 -2.078 1.00 0.00 C ATOM 333 C ASN A 24 15.574 6.419 -1.348 1.00 0.00 C ATOM 334 O ASN A 24 16.787 6.319 -1.531 1.00 0.00 O ATOM 335 CB ASN A 24 15.690 8.407 -2.863 1.00 0.00 C ATOM 336 CG ASN A 24 15.078 9.774 -3.105 1.00 0.00 C ATOM 337 OD1 ASN A 24 15.535 10.776 -2.555 1.00 0.00 O ATOM 338 ND2 ASN A 24 14.040 9.819 -3.931 1.00 0.00 N ATOM 0 H ASN A 24 12.957 8.023 -1.149 1.00 0.00 H new ATOM 0 HA ASN A 24 14.082 6.981 -2.773 1.00 0.00 H new ATOM 0 HB2 ASN A 24 16.626 8.523 -2.317 1.00 0.00 H new ATOM 0 HB3 ASN A 24 15.934 7.946 -3.820 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.587 10.710 -4.133 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.695 8.962 -4.364 1.00 0.00 H new ATOM 345 N VAL A 25 14.899 5.627 -0.521 1.00 0.00 N ATOM 346 CA VAL A 25 15.560 4.571 0.235 1.00 0.00 C ATOM 347 C VAL A 25 15.110 3.193 -0.236 1.00 0.00 C ATOM 348 O VAL A 25 14.130 2.643 0.268 1.00 0.00 O ATOM 349 CB VAL A 25 15.281 4.702 1.745 1.00 0.00 C ATOM 350 CG1 VAL A 25 16.165 5.776 2.360 1.00 0.00 C ATOM 351 CG2 VAL A 25 13.811 5.005 1.990 1.00 0.00 C ATOM 0 H VAL A 25 13.895 5.697 -0.358 1.00 0.00 H new ATOM 0 HA VAL A 25 16.630 4.680 0.060 1.00 0.00 H new ATOM 0 HB VAL A 25 15.518 3.752 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.954 5.854 3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 25 17.213 5.512 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 25 15.963 6.733 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.632 5.094 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.546 5.941 1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.201 4.197 1.586 1.00 0.00 H new ATOM 361 N ASP A 26 15.831 2.639 -1.204 1.00 0.00 N ATOM 362 CA ASP A 26 15.507 1.324 -1.743 1.00 0.00 C ATOM 363 C ASP A 26 14.137 1.334 -2.414 1.00 0.00 C ATOM 364 O ASP A 26 13.474 0.301 -2.511 1.00 0.00 O ATOM 365 CB ASP A 26 15.537 0.272 -0.632 1.00 0.00 C ATOM 366 CG ASP A 26 16.912 -0.340 -0.452 1.00 0.00 C ATOM 367 OD1 ASP A 26 17.849 0.402 -0.086 1.00 0.00 O ATOM 368 OD2 ASP A 26 17.052 -1.560 -0.675 1.00 0.00 O ATOM 0 H ASP A 26 16.645 3.081 -1.632 1.00 0.00 H new ATOM 0 HA ASP A 26 16.257 1.071 -2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.220 0.729 0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.819 -0.515 -0.862 1.00 0.00 H new ATOM 373 N VAL A 27 13.717 2.508 -2.874 1.00 0.00 N ATOM 374 CA VAL A 27 12.426 2.654 -3.535 1.00 0.00 C ATOM 375 C VAL A 27 12.209 1.550 -4.565 1.00 0.00 C ATOM 376 O VAL A 27 11.074 1.178 -4.859 1.00 0.00 O ATOM 377 CB VAL A 27 12.303 4.022 -4.232 1.00 0.00 C ATOM 378 CG1 VAL A 27 12.316 5.146 -3.207 1.00 0.00 C ATOM 379 CG2 VAL A 27 13.419 4.204 -5.249 1.00 0.00 C ATOM 0 H VAL A 27 14.253 3.373 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 27 11.663 2.580 -2.760 1.00 0.00 H new ATOM 0 HB VAL A 27 11.351 4.056 -4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.228 6.105 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.478 5.022 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.251 5.117 -2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.316 5.176 -5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.384 4.150 -4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.358 3.417 -6.001 1.00 0.00 H new ATOM 389 N GLU A 28 13.306 1.031 -5.108 1.00 0.00 N ATOM 390 CA GLU A 28 13.234 -0.030 -6.106 1.00 0.00 C ATOM 391 C GLU A 28 12.260 -1.121 -5.671 1.00 0.00 C ATOM 392 O GLU A 28 11.744 -1.872 -6.498 1.00 0.00 O ATOM 393 CB GLU A 28 14.621 -0.633 -6.341 1.00 0.00 C ATOM 394 CG GLU A 28 15.424 0.085 -7.412 1.00 0.00 C ATOM 395 CD GLU A 28 15.069 -0.374 -8.813 1.00 0.00 C ATOM 396 OE1 GLU A 28 15.213 -1.581 -9.097 1.00 0.00 O ATOM 397 OE2 GLU A 28 14.647 0.476 -9.626 1.00 0.00 O ATOM 0 H GLU A 28 14.254 1.327 -4.874 1.00 0.00 H new ATOM 0 HA GLU A 28 12.872 0.405 -7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.180 -0.613 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.510 -1.680 -6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.253 1.158 -7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 28 16.487 -0.082 -7.237 1.00 0.00 H new ATOM 404 N ALA A 29 12.013 -1.200 -4.367 1.00 0.00 N ATOM 405 CA ALA A 29 11.100 -2.197 -3.822 1.00 0.00 C ATOM 406 C ALA A 29 9.710 -1.609 -3.608 1.00 0.00 C ATOM 407 O ALA A 29 8.702 -2.290 -3.797 1.00 0.00 O ATOM 408 CB ALA A 29 11.646 -2.755 -2.516 1.00 0.00 C ATOM 0 H ALA A 29 12.432 -0.586 -3.669 1.00 0.00 H new ATOM 0 HA ALA A 29 11.015 -3.009 -4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.954 -3.498 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.615 -3.221 -2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.761 -1.946 -1.795 1.00 0.00 H new ATOM 414 N GLU A 30 9.663 -0.341 -3.211 1.00 0.00 N ATOM 415 CA GLU A 30 8.395 0.337 -2.969 1.00 0.00 C ATOM 416 C GLU A 30 7.490 0.251 -4.195 1.00 0.00 C ATOM 417 O GLU A 30 7.965 0.133 -5.325 1.00 0.00 O ATOM 418 CB GLU A 30 8.637 1.803 -2.602 1.00 0.00 C ATOM 419 CG GLU A 30 9.034 2.009 -1.150 1.00 0.00 C ATOM 420 CD GLU A 30 9.040 3.472 -0.750 1.00 0.00 C ATOM 421 OE1 GLU A 30 9.863 4.233 -1.300 1.00 0.00 O ATOM 422 OE2 GLU A 30 8.224 3.855 0.114 1.00 0.00 O ATOM 0 H GLU A 30 10.488 0.237 -3.050 1.00 0.00 H new ATOM 0 HA GLU A 30 7.899 -0.161 -2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.420 2.205 -3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.732 2.374 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.343 1.463 -0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.025 1.587 -0.985 1.00 0.00 H new ATOM 429 N LEU A 31 6.183 0.310 -3.963 1.00 0.00 N ATOM 430 CA LEU A 31 5.210 0.238 -5.047 1.00 0.00 C ATOM 431 C LEU A 31 4.708 1.629 -5.421 1.00 0.00 C ATOM 432 O LEU A 31 4.527 2.489 -4.559 1.00 0.00 O ATOM 433 CB LEU A 31 4.031 -0.650 -4.642 1.00 0.00 C ATOM 434 CG LEU A 31 4.315 -2.151 -4.571 1.00 0.00 C ATOM 435 CD1 LEU A 31 3.173 -2.878 -3.879 1.00 0.00 C ATOM 436 CD2 LEU A 31 4.543 -2.717 -5.965 1.00 0.00 C ATOM 0 H LEU A 31 5.773 0.407 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 31 5.703 -0.197 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.673 -0.322 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.219 -0.487 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 31 5.222 -2.302 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.393 -3.945 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.057 -2.492 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.250 -2.719 -4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.744 -3.786 -5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.654 -2.554 -6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.395 -2.217 -6.426 1.00 0.00 H new ATOM 448 N THR A 32 4.483 1.843 -6.714 1.00 0.00 N ATOM 449 CA THR A 32 4.001 3.128 -7.203 1.00 0.00 C ATOM 450 C THR A 32 2.560 3.026 -7.690 1.00 0.00 C ATOM 451 O THR A 32 2.307 2.678 -8.843 1.00 0.00 O ATOM 452 CB THR A 32 4.882 3.659 -8.351 1.00 0.00 C ATOM 453 OG1 THR A 32 6.266 3.514 -8.013 1.00 0.00 O ATOM 454 CG2 THR A 32 4.574 5.121 -8.637 1.00 0.00 C ATOM 0 H THR A 32 4.627 1.142 -7.441 1.00 0.00 H new ATOM 0 HA THR A 32 4.050 3.823 -6.365 1.00 0.00 H new ATOM 0 HB THR A 32 4.665 3.077 -9.247 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.819 3.852 -8.748 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.208 5.474 -9.451 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.527 5.223 -8.922 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.766 5.715 -7.743 1.00 0.00 H new ATOM 462 N PHE A 33 1.619 3.334 -6.804 1.00 0.00 N ATOM 463 CA PHE A 33 0.201 3.276 -7.143 1.00 0.00 C ATOM 464 C PHE A 33 -0.373 4.679 -7.317 1.00 0.00 C ATOM 465 O PHE A 33 0.312 5.676 -7.085 1.00 0.00 O ATOM 466 CB PHE A 33 -0.574 2.526 -6.059 1.00 0.00 C ATOM 467 CG PHE A 33 -0.239 2.972 -4.664 1.00 0.00 C ATOM 468 CD1 PHE A 33 0.885 2.484 -4.018 1.00 0.00 C ATOM 469 CD2 PHE A 33 -1.049 3.879 -4.000 1.00 0.00 C ATOM 470 CE1 PHE A 33 1.196 2.893 -2.734 1.00 0.00 C ATOM 471 CE2 PHE A 33 -0.742 4.292 -2.717 1.00 0.00 C ATOM 472 CZ PHE A 33 0.381 3.797 -2.083 1.00 0.00 C ATOM 0 H PHE A 33 1.812 3.626 -5.846 1.00 0.00 H new ATOM 0 HA PHE A 33 0.100 2.741 -8.087 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.642 2.661 -6.228 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.369 1.459 -6.150 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.526 1.776 -4.523 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.930 4.267 -4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.075 2.506 -2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.380 5.001 -2.211 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.621 4.117 -1.080 1.00 0.00 H new ATOM 482 N CYS A 34 -1.635 4.748 -7.727 1.00 0.00 N ATOM 483 CA CYS A 34 -2.303 6.028 -7.934 1.00 0.00 C ATOM 484 C CYS A 34 -3.628 6.078 -7.181 1.00 0.00 C ATOM 485 O CYS A 34 -4.090 5.069 -6.646 1.00 0.00 O ATOM 486 CB CYS A 34 -2.540 6.268 -9.425 1.00 0.00 C ATOM 487 SG CYS A 34 -1.168 7.090 -10.268 1.00 0.00 S ATOM 0 H CYS A 34 -2.216 3.933 -7.923 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.656 6.814 -7.546 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.729 5.311 -9.910 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.440 6.870 -9.546 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.461 7.753 -9.402 1.00 0.00 H new ATOM 493 N THR A 35 -4.236 7.260 -7.141 1.00 0.00 N ATOM 494 CA THR A 35 -5.507 7.442 -6.451 1.00 0.00 C ATOM 495 C THR A 35 -6.563 6.477 -6.978 1.00 0.00 C ATOM 496 O THR A 35 -6.998 6.583 -8.124 1.00 0.00 O ATOM 497 CB THR A 35 -6.026 8.885 -6.602 1.00 0.00 C ATOM 498 OG1 THR A 35 -4.999 9.815 -6.240 1.00 0.00 O ATOM 499 CG2 THR A 35 -7.253 9.112 -5.732 1.00 0.00 C ATOM 0 H THR A 35 -3.869 8.105 -7.578 1.00 0.00 H new ATOM 0 HA THR A 35 -5.326 7.237 -5.396 1.00 0.00 H new ATOM 0 HB THR A 35 -6.305 9.041 -7.644 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.336 10.730 -6.340 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.602 10.137 -5.855 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.043 8.422 -6.030 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.995 8.939 -4.687 1.00 0.00 H new ATOM 507 N GLY A 36 -6.971 5.535 -6.133 1.00 0.00 N ATOM 508 CA GLY A 36 -7.974 4.564 -6.533 1.00 0.00 C ATOM 509 C GLY A 36 -7.399 3.172 -6.698 1.00 0.00 C ATOM 510 O GLY A 36 -8.087 2.177 -6.470 1.00 0.00 O ATOM 0 H GLY A 36 -6.626 5.427 -5.179 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.769 4.539 -5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.427 4.880 -7.472 1.00 0.00 H new ATOM 514 N ASP A 37 -6.134 3.100 -7.098 1.00 0.00 N ATOM 515 CA ASP A 37 -5.466 1.818 -7.295 1.00 0.00 C ATOM 516 C ASP A 37 -5.597 0.941 -6.053 1.00 0.00 C ATOM 517 O ASP A 37 -5.177 1.327 -4.962 1.00 0.00 O ATOM 518 CB ASP A 37 -3.989 2.034 -7.628 1.00 0.00 C ATOM 519 CG ASP A 37 -3.769 2.367 -9.091 1.00 0.00 C ATOM 520 OD1 ASP A 37 -4.502 1.821 -9.941 1.00 0.00 O ATOM 521 OD2 ASP A 37 -2.863 3.175 -9.385 1.00 0.00 O ATOM 0 H ASP A 37 -5.551 3.914 -7.292 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.948 1.310 -8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.595 2.841 -7.011 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.427 1.135 -7.374 1.00 0.00 H new ATOM 526 N ILE A 38 -6.182 -0.239 -6.228 1.00 0.00 N ATOM 527 CA ILE A 38 -6.368 -1.170 -5.122 1.00 0.00 C ATOM 528 C ILE A 38 -5.105 -1.988 -4.874 1.00 0.00 C ATOM 529 O ILE A 38 -4.533 -2.563 -5.802 1.00 0.00 O ATOM 530 CB ILE A 38 -7.544 -2.130 -5.386 1.00 0.00 C ATOM 531 CG1 ILE A 38 -8.809 -1.339 -5.726 1.00 0.00 C ATOM 532 CG2 ILE A 38 -7.780 -3.023 -4.177 1.00 0.00 C ATOM 533 CD1 ILE A 38 -9.210 -0.351 -4.653 1.00 0.00 C ATOM 0 H ILE A 38 -6.535 -0.573 -7.125 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.590 -0.571 -4.239 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.294 -2.763 -6.237 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.652 -0.803 -6.662 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.630 -2.036 -5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.614 -3.696 -4.379 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.882 -3.608 -3.976 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.013 -2.406 -3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.114 0.174 -4.961 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.399 -0.883 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.406 0.369 -4.503 1.00 0.00 H new ATOM 545 N ILE A 39 -4.676 -2.038 -3.618 1.00 0.00 N ATOM 546 CA ILE A 39 -3.483 -2.788 -3.247 1.00 0.00 C ATOM 547 C ILE A 39 -3.775 -3.760 -2.109 1.00 0.00 C ATOM 548 O ILE A 39 -4.328 -3.377 -1.077 1.00 0.00 O ATOM 549 CB ILE A 39 -2.337 -1.850 -2.825 1.00 0.00 C ATOM 550 CG1 ILE A 39 -1.892 -0.987 -4.007 1.00 0.00 C ATOM 551 CG2 ILE A 39 -1.166 -2.656 -2.281 1.00 0.00 C ATOM 552 CD1 ILE A 39 -1.300 0.343 -3.596 1.00 0.00 C ATOM 0 H ILE A 39 -5.137 -1.568 -2.839 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.176 -3.349 -4.130 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.699 -1.192 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.155 -1.538 -4.592 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.747 -0.809 -4.659 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.364 -1.979 -1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.492 -3.231 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.803 -3.336 -3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.007 0.901 -4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.041 0.914 -3.037 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.425 0.173 -2.969 1.00 0.00 H new ATOM 564 N THR A 40 -3.399 -5.020 -2.303 1.00 0.00 N ATOM 565 CA THR A 40 -3.620 -6.048 -1.293 1.00 0.00 C ATOM 566 C THR A 40 -2.453 -6.118 -0.315 1.00 0.00 C ATOM 567 O THR A 40 -1.403 -6.681 -0.626 1.00 0.00 O ATOM 568 CB THR A 40 -3.822 -7.433 -1.935 1.00 0.00 C ATOM 569 OG1 THR A 40 -4.830 -7.361 -2.950 1.00 0.00 O ATOM 570 CG2 THR A 40 -4.221 -8.462 -0.889 1.00 0.00 C ATOM 0 H THR A 40 -2.940 -5.353 -3.151 1.00 0.00 H new ATOM 0 HA THR A 40 -4.526 -5.771 -0.754 1.00 0.00 H new ATOM 0 HB THR A 40 -2.878 -7.742 -2.383 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.951 -8.246 -3.354 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.358 -9.432 -1.367 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.438 -8.536 -0.134 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.154 -8.156 -0.415 1.00 0.00 H new ATOM 578 N VAL A 41 -2.642 -5.544 0.868 1.00 0.00 N ATOM 579 CA VAL A 41 -1.605 -5.543 1.893 1.00 0.00 C ATOM 580 C VAL A 41 -1.660 -6.815 2.731 1.00 0.00 C ATOM 581 O VAL A 41 -2.725 -7.405 2.914 1.00 0.00 O ATOM 582 CB VAL A 41 -1.735 -4.322 2.823 1.00 0.00 C ATOM 583 CG1 VAL A 41 -1.584 -3.031 2.033 1.00 0.00 C ATOM 584 CG2 VAL A 41 -3.066 -4.354 3.559 1.00 0.00 C ATOM 0 H VAL A 41 -3.505 -5.073 1.141 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.648 -5.494 1.374 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.935 -4.363 3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.679 -2.179 2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.604 -3.009 1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.361 -2.978 1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.142 -3.484 4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.882 -4.337 2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.129 -5.263 4.157 1.00 0.00 H new ATOM 594 N PHE A 42 -0.505 -7.232 3.240 1.00 0.00 N ATOM 595 CA PHE A 42 -0.421 -8.435 4.059 1.00 0.00 C ATOM 596 C PHE A 42 0.317 -8.153 5.365 1.00 0.00 C ATOM 597 O PHE A 42 1.445 -7.662 5.360 1.00 0.00 O ATOM 598 CB PHE A 42 0.288 -9.553 3.291 1.00 0.00 C ATOM 599 CG PHE A 42 -0.283 -9.795 1.923 1.00 0.00 C ATOM 600 CD1 PHE A 42 -1.413 -10.581 1.759 1.00 0.00 C ATOM 601 CD2 PHE A 42 0.309 -9.237 0.802 1.00 0.00 C ATOM 602 CE1 PHE A 42 -1.940 -10.806 0.501 1.00 0.00 C ATOM 603 CE2 PHE A 42 -0.214 -9.459 -0.458 1.00 0.00 C ATOM 604 CZ PHE A 42 -1.340 -10.243 -0.609 1.00 0.00 C ATOM 0 H PHE A 42 0.385 -6.754 3.099 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.436 -8.754 4.296 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.345 -9.304 3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.228 -10.475 3.869 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.887 -11.022 2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.189 -8.621 0.914 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.820 -11.421 0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.258 -9.019 -1.324 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.751 -10.416 -1.593 1.00 0.00 H new ATOM 614 N GLY A 43 -0.330 -8.468 6.483 1.00 0.00 N ATOM 615 CA GLY A 43 0.279 -8.241 7.781 1.00 0.00 C ATOM 616 C GLY A 43 0.072 -6.824 8.278 1.00 0.00 C ATOM 617 O GLY A 43 -0.490 -5.988 7.572 1.00 0.00 O ATOM 0 H GLY A 43 -1.264 -8.876 6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.141 -8.941 8.503 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.347 -8.449 7.719 1.00 0.00 H new ATOM 621 N GLU A 44 0.527 -6.555 9.498 1.00 0.00 N ATOM 622 CA GLU A 44 0.387 -5.229 10.089 1.00 0.00 C ATOM 623 C GLU A 44 1.540 -4.321 9.670 1.00 0.00 C ATOM 624 O GLU A 44 2.499 -4.770 9.041 1.00 0.00 O ATOM 625 CB GLU A 44 0.331 -5.330 11.615 1.00 0.00 C ATOM 626 CG GLU A 44 1.642 -5.774 12.244 1.00 0.00 C ATOM 627 CD GLU A 44 1.868 -7.269 12.126 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.187 -8.031 12.842 1.00 0.00 O ATOM 629 OE2 GLU A 44 2.727 -7.676 11.316 1.00 0.00 O ATOM 0 H GLU A 44 0.995 -7.237 10.095 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.544 -4.794 9.726 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.051 -4.360 12.025 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.453 -6.033 11.896 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.467 -5.247 11.766 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.650 -5.491 13.297 1.00 0.00 H new ATOM 636 N ILE A 45 1.438 -3.044 10.023 1.00 0.00 N ATOM 637 CA ILE A 45 2.472 -2.074 9.684 1.00 0.00 C ATOM 638 C ILE A 45 3.810 -2.458 10.304 1.00 0.00 C ATOM 639 O ILE A 45 3.864 -2.974 11.421 1.00 0.00 O ATOM 640 CB ILE A 45 2.089 -0.658 10.152 1.00 0.00 C ATOM 641 CG1 ILE A 45 0.751 -0.239 9.540 1.00 0.00 C ATOM 642 CG2 ILE A 45 3.181 0.335 9.782 1.00 0.00 C ATOM 643 CD1 ILE A 45 0.203 1.051 10.110 1.00 0.00 C ATOM 0 H ILE A 45 0.650 -2.657 10.543 1.00 0.00 H new ATOM 0 HA ILE A 45 2.564 -2.077 8.598 1.00 0.00 H new ATOM 0 HB ILE A 45 1.984 -0.666 11.237 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.872 -0.128 8.463 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.023 -1.035 9.698 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.896 1.332 10.119 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.116 0.043 10.261 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.315 0.342 8.700 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.747 1.286 9.630 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.049 0.938 11.183 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.911 1.859 9.928 1.00 0.00 H new ATOM 655 N ASP A 46 4.890 -2.202 9.574 1.00 0.00 N ATOM 656 CA ASP A 46 6.230 -2.518 10.053 1.00 0.00 C ATOM 657 C ASP A 46 6.740 -1.433 10.996 1.00 0.00 C ATOM 658 O ASP A 46 6.091 -0.404 11.181 1.00 0.00 O ATOM 659 CB ASP A 46 7.192 -2.679 8.874 1.00 0.00 C ATOM 660 CG ASP A 46 6.645 -3.603 7.804 1.00 0.00 C ATOM 661 OD1 ASP A 46 6.481 -4.808 8.088 1.00 0.00 O ATOM 662 OD2 ASP A 46 6.383 -3.122 6.682 1.00 0.00 O ATOM 0 H ASP A 46 4.863 -1.776 8.648 1.00 0.00 H new ATOM 0 HA ASP A 46 6.180 -3.458 10.602 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.394 -1.701 8.437 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.143 -3.069 9.236 1.00 0.00 H new ATOM 667 N GLU A 47 7.905 -1.671 11.590 1.00 0.00 N ATOM 668 CA GLU A 47 8.500 -0.714 12.516 1.00 0.00 C ATOM 669 C GLU A 47 8.579 0.674 11.887 1.00 0.00 C ATOM 670 O GLU A 47 8.298 1.679 12.539 1.00 0.00 O ATOM 671 CB GLU A 47 9.897 -1.177 12.934 1.00 0.00 C ATOM 672 CG GLU A 47 9.887 -2.377 13.867 1.00 0.00 C ATOM 673 CD GLU A 47 9.328 -2.046 15.237 1.00 0.00 C ATOM 674 OE1 GLU A 47 8.109 -1.793 15.336 1.00 0.00 O ATOM 675 OE2 GLU A 47 10.110 -2.041 16.211 1.00 0.00 O ATOM 0 H GLU A 47 8.455 -2.518 11.447 1.00 0.00 H new ATOM 0 HA GLU A 47 7.864 -0.658 13.400 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.470 -1.426 12.041 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.413 -0.351 13.424 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.294 -3.175 13.420 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.903 -2.757 13.975 1.00 0.00 H new ATOM 682 N ASP A 48 8.964 0.720 10.616 1.00 0.00 N ATOM 683 CA ASP A 48 9.080 1.984 9.898 1.00 0.00 C ATOM 684 C ASP A 48 7.730 2.689 9.817 1.00 0.00 C ATOM 685 O ASP A 48 7.579 3.818 10.281 1.00 0.00 O ATOM 686 CB ASP A 48 9.631 1.746 8.491 1.00 0.00 C ATOM 687 CG ASP A 48 11.129 1.512 8.487 1.00 0.00 C ATOM 688 OD1 ASP A 48 11.839 2.202 9.249 1.00 0.00 O ATOM 689 OD2 ASP A 48 11.591 0.639 7.724 1.00 0.00 O ATOM 0 H ASP A 48 9.201 -0.103 10.062 1.00 0.00 H new ATOM 0 HA ASP A 48 9.771 2.624 10.447 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.131 0.884 8.049 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.399 2.606 7.863 1.00 0.00 H new ATOM 694 N GLY A 49 6.750 2.014 9.223 1.00 0.00 N ATOM 695 CA GLY A 49 5.426 2.592 9.090 1.00 0.00 C ATOM 696 C GLY A 49 4.838 2.385 7.708 1.00 0.00 C ATOM 697 O GLY A 49 4.095 3.230 7.209 1.00 0.00 O ATOM 0 H GLY A 49 6.850 1.077 8.832 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.763 2.149 9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.476 3.660 9.304 1.00 0.00 H new ATOM 701 N PHE A 50 5.172 1.258 7.088 1.00 0.00 N ATOM 702 CA PHE A 50 4.675 0.944 5.754 1.00 0.00 C ATOM 703 C PHE A 50 3.980 -0.415 5.739 1.00 0.00 C ATOM 704 O PHE A 50 4.023 -1.157 6.720 1.00 0.00 O ATOM 705 CB PHE A 50 5.823 0.953 4.743 1.00 0.00 C ATOM 706 CG PHE A 50 6.404 2.318 4.508 1.00 0.00 C ATOM 707 CD1 PHE A 50 7.219 2.912 5.458 1.00 0.00 C ATOM 708 CD2 PHE A 50 6.134 3.008 3.337 1.00 0.00 C ATOM 709 CE1 PHE A 50 7.755 4.168 5.245 1.00 0.00 C ATOM 710 CE2 PHE A 50 6.668 4.264 3.118 1.00 0.00 C ATOM 711 CZ PHE A 50 7.478 4.845 4.074 1.00 0.00 C ATOM 0 H PHE A 50 5.785 0.547 7.488 1.00 0.00 H new ATOM 0 HA PHE A 50 3.949 1.708 5.475 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.611 0.287 5.094 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.465 0.551 3.795 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.438 2.387 6.376 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.499 2.559 2.587 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.390 4.619 5.993 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.452 4.791 2.200 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.894 5.827 3.906 1.00 0.00 H new ATOM 721 N TYR A 51 3.339 -0.732 4.619 1.00 0.00 N ATOM 722 CA TYR A 51 2.633 -1.999 4.476 1.00 0.00 C ATOM 723 C TYR A 51 3.240 -2.839 3.356 1.00 0.00 C ATOM 724 O TYR A 51 3.870 -2.310 2.440 1.00 0.00 O ATOM 725 CB TYR A 51 1.149 -1.751 4.196 1.00 0.00 C ATOM 726 CG TYR A 51 0.303 -1.668 5.446 1.00 0.00 C ATOM 727 CD1 TYR A 51 0.446 -2.597 6.469 1.00 0.00 C ATOM 728 CD2 TYR A 51 -0.640 -0.660 5.604 1.00 0.00 C ATOM 729 CE1 TYR A 51 -0.326 -2.525 7.612 1.00 0.00 C ATOM 730 CE2 TYR A 51 -1.415 -0.579 6.744 1.00 0.00 C ATOM 731 CZ TYR A 51 -1.255 -1.514 7.746 1.00 0.00 C ATOM 732 OH TYR A 51 -2.026 -1.438 8.883 1.00 0.00 O ATOM 0 H TYR A 51 3.294 -0.129 3.798 1.00 0.00 H new ATOM 0 HA TYR A 51 2.733 -2.549 5.412 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.044 -0.823 3.634 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.769 -2.552 3.562 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.173 -3.389 6.369 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.769 0.073 4.821 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.203 -3.257 8.397 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.143 0.212 6.851 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.629 -0.668 8.819 1.00 0.00 H new ATOM 742 N TYR A 52 3.044 -4.150 3.436 1.00 0.00 N ATOM 743 CA TYR A 52 3.573 -5.064 2.431 1.00 0.00 C ATOM 744 C TYR A 52 2.445 -5.706 1.630 1.00 0.00 C ATOM 745 O TYR A 52 1.824 -6.671 2.074 1.00 0.00 O ATOM 746 CB TYR A 52 4.423 -6.149 3.095 1.00 0.00 C ATOM 747 CG TYR A 52 5.541 -6.665 2.216 1.00 0.00 C ATOM 748 CD1 TYR A 52 5.306 -7.012 0.892 1.00 0.00 C ATOM 749 CD2 TYR A 52 6.832 -6.804 2.711 1.00 0.00 C ATOM 750 CE1 TYR A 52 6.324 -7.484 0.086 1.00 0.00 C ATOM 751 CE2 TYR A 52 7.856 -7.275 1.913 1.00 0.00 C ATOM 752 CZ TYR A 52 7.597 -7.614 0.601 1.00 0.00 C ATOM 753 OH TYR A 52 8.614 -8.083 -0.199 1.00 0.00 O ATOM 0 H TYR A 52 2.523 -4.604 4.186 1.00 0.00 H new ATOM 0 HA TYR A 52 4.198 -4.489 1.748 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.850 -5.752 4.016 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.779 -6.982 3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.311 -6.911 0.485 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.038 -6.539 3.738 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.124 -7.750 -0.942 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.854 -7.377 2.314 1.00 0.00 H new ATOM 0 HH TYR A 52 9.447 -8.113 0.316 1.00 0.00 H new ATOM 763 N GLY A 53 2.185 -5.162 0.445 1.00 0.00 N ATOM 764 CA GLY A 53 1.132 -5.694 -0.400 1.00 0.00 C ATOM 765 C GLY A 53 1.607 -5.971 -1.813 1.00 0.00 C ATOM 766 O GLY A 53 2.794 -5.847 -2.110 1.00 0.00 O ATOM 0 H GLY A 53 2.685 -4.363 0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.749 -6.616 0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.303 -4.987 -0.431 1.00 0.00 H new ATOM 770 N GLU A 54 0.677 -6.349 -2.685 1.00 0.00 N ATOM 771 CA GLU A 54 1.009 -6.647 -4.073 1.00 0.00 C ATOM 772 C GLU A 54 0.140 -5.832 -5.027 1.00 0.00 C ATOM 773 O GLU A 54 -1.039 -5.593 -4.761 1.00 0.00 O ATOM 774 CB GLU A 54 0.831 -8.141 -4.354 1.00 0.00 C ATOM 775 CG GLU A 54 1.681 -8.649 -5.506 1.00 0.00 C ATOM 776 CD GLU A 54 1.137 -9.927 -6.114 1.00 0.00 C ATOM 777 OE1 GLU A 54 -0.088 -10.000 -6.343 1.00 0.00 O ATOM 778 OE2 GLU A 54 1.937 -10.854 -6.360 1.00 0.00 O ATOM 0 H GLU A 54 -0.311 -6.456 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 54 2.052 -6.376 -4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.080 -8.704 -3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.218 -8.338 -4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.738 -7.880 -6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.698 -8.823 -5.153 1.00 0.00 H new ATOM 785 N LEU A 55 0.730 -5.408 -6.139 1.00 0.00 N ATOM 786 CA LEU A 55 0.012 -4.619 -7.134 1.00 0.00 C ATOM 787 C LEU A 55 0.458 -4.986 -8.545 1.00 0.00 C ATOM 788 O LEU A 55 1.636 -5.246 -8.787 1.00 0.00 O ATOM 789 CB LEU A 55 0.235 -3.126 -6.888 1.00 0.00 C ATOM 790 CG LEU A 55 -0.321 -2.180 -7.953 1.00 0.00 C ATOM 791 CD1 LEU A 55 -1.839 -2.260 -7.998 1.00 0.00 C ATOM 792 CD2 LEU A 55 0.132 -0.752 -7.686 1.00 0.00 C ATOM 0 H LEU A 55 1.704 -5.597 -6.374 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.051 -4.841 -7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.213 -2.865 -5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.307 -2.949 -6.797 1.00 0.00 H new ATOM 0 HG LEU A 55 0.067 -2.488 -8.924 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.217 -1.580 -8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.143 -3.279 -8.237 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.247 -1.978 -7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.273 -0.092 -8.454 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.227 -0.433 -6.707 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.221 -0.706 -7.706 1.00 0.00 H new ATOM 804 N ASN A 56 -0.492 -5.002 -9.475 1.00 0.00 N ATOM 805 CA ASN A 56 -0.197 -5.335 -10.864 1.00 0.00 C ATOM 806 C ASN A 56 0.850 -6.442 -10.947 1.00 0.00 C ATOM 807 O ASN A 56 1.709 -6.434 -11.827 1.00 0.00 O ATOM 808 CB ASN A 56 0.295 -4.096 -11.614 1.00 0.00 C ATOM 809 CG ASN A 56 -0.791 -3.051 -11.778 1.00 0.00 C ATOM 810 OD1 ASN A 56 -1.968 -3.320 -11.539 1.00 0.00 O ATOM 811 ND2 ASN A 56 -0.399 -1.850 -12.190 1.00 0.00 N ATOM 0 H ASN A 56 -1.472 -4.788 -9.292 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.116 -5.692 -11.329 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.137 -3.660 -11.077 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.663 -4.392 -12.597 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.085 -1.106 -12.320 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.588 -1.672 -12.376 1.00 0.00 H new ATOM 818 N GLY A 57 0.771 -7.395 -10.023 1.00 0.00 N ATOM 819 CA GLY A 57 1.716 -8.496 -10.009 1.00 0.00 C ATOM 820 C GLY A 57 3.096 -8.070 -9.550 1.00 0.00 C ATOM 821 O GLY A 57 4.104 -8.532 -10.083 1.00 0.00 O ATOM 0 H GLY A 57 0.069 -7.424 -9.284 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.344 -9.281 -9.351 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.785 -8.924 -11.009 1.00 0.00 H new ATOM 825 N GLN A 58 3.141 -7.185 -8.559 1.00 0.00 N ATOM 826 CA GLN A 58 4.408 -6.695 -8.030 1.00 0.00 C ATOM 827 C GLN A 58 4.356 -6.577 -6.511 1.00 0.00 C ATOM 828 O GLN A 58 3.482 -5.908 -5.959 1.00 0.00 O ATOM 829 CB GLN A 58 4.752 -5.338 -8.647 1.00 0.00 C ATOM 830 CG GLN A 58 5.421 -5.440 -10.008 1.00 0.00 C ATOM 831 CD GLN A 58 6.180 -4.181 -10.381 1.00 0.00 C ATOM 832 OE1 GLN A 58 5.619 -3.085 -10.394 1.00 0.00 O ATOM 833 NE2 GLN A 58 7.463 -4.332 -10.688 1.00 0.00 N ATOM 0 H GLN A 58 2.315 -6.793 -8.107 1.00 0.00 H new ATOM 0 HA GLN A 58 5.184 -7.414 -8.293 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.839 -4.750 -8.743 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.410 -4.796 -7.968 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.107 -6.287 -10.009 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.664 -5.642 -10.766 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.887 -5.259 -10.664 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.024 -3.521 -10.948 1.00 0.00 H new ATOM 842 N LYS A 59 5.296 -7.233 -5.838 1.00 0.00 N ATOM 843 CA LYS A 59 5.358 -7.202 -4.382 1.00 0.00 C ATOM 844 C LYS A 59 6.318 -6.119 -3.901 1.00 0.00 C ATOM 845 O LYS A 59 7.463 -6.049 -4.346 1.00 0.00 O ATOM 846 CB LYS A 59 5.797 -8.564 -3.841 1.00 0.00 C ATOM 847 CG LYS A 59 4.699 -9.613 -3.872 1.00 0.00 C ATOM 848 CD LYS A 59 5.077 -10.841 -3.060 1.00 0.00 C ATOM 849 CE LYS A 59 3.857 -11.683 -2.721 1.00 0.00 C ATOM 850 NZ LYS A 59 3.208 -11.236 -1.458 1.00 0.00 N ATOM 0 H LYS A 59 6.026 -7.793 -6.279 1.00 0.00 H new ATOM 0 HA LYS A 59 4.361 -6.972 -4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.646 -8.921 -4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.144 -8.443 -2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.776 -9.186 -3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.502 -9.904 -4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.792 -11.443 -3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.574 -10.532 -2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.138 -11.626 -3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.152 -12.728 -2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.381 -11.835 -1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.886 -11.314 -0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.904 -10.246 -1.556 1.00 0.00 H new ATOM 864 N GLY A 60 5.844 -5.276 -2.989 1.00 0.00 N ATOM 865 CA GLY A 60 6.674 -4.208 -2.462 1.00 0.00 C ATOM 866 C GLY A 60 6.106 -3.604 -1.193 1.00 0.00 C ATOM 867 O GLY A 60 5.448 -4.290 -0.411 1.00 0.00 O ATOM 0 H GLY A 60 4.900 -5.313 -2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.673 -4.594 -2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.779 -3.428 -3.216 1.00 0.00 H new ATOM 871 N LEU A 61 6.362 -2.317 -0.988 1.00 0.00 N ATOM 872 CA LEU A 61 5.872 -1.620 0.197 1.00 0.00 C ATOM 873 C LEU A 61 4.907 -0.503 -0.189 1.00 0.00 C ATOM 874 O LEU A 61 5.017 0.083 -1.266 1.00 0.00 O ATOM 875 CB LEU A 61 7.044 -1.044 0.994 1.00 0.00 C ATOM 876 CG LEU A 61 7.934 -2.061 1.708 1.00 0.00 C ATOM 877 CD1 LEU A 61 9.217 -1.402 2.191 1.00 0.00 C ATOM 878 CD2 LEU A 61 7.189 -2.699 2.871 1.00 0.00 C ATOM 0 H LEU A 61 6.905 -1.735 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 61 5.337 -2.339 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.666 -0.460 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.647 -0.353 1.738 1.00 0.00 H new ATOM 0 HG LEU A 61 8.198 -2.845 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.838 -2.142 2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.760 -0.994 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.974 -0.597 2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.838 -3.420 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.894 -1.927 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.300 -3.208 2.498 1.00 0.00 H new ATOM 890 N VAL A 62 3.962 -0.212 0.700 1.00 0.00 N ATOM 891 CA VAL A 62 2.979 0.837 0.454 1.00 0.00 C ATOM 892 C VAL A 62 2.653 1.595 1.736 1.00 0.00 C ATOM 893 O VAL A 62 2.405 1.007 2.789 1.00 0.00 O ATOM 894 CB VAL A 62 1.678 0.260 -0.133 1.00 0.00 C ATOM 895 CG1 VAL A 62 1.856 -0.067 -1.608 1.00 0.00 C ATOM 896 CG2 VAL A 62 1.242 -0.972 0.646 1.00 0.00 C ATOM 0 H VAL A 62 3.856 -0.688 1.596 1.00 0.00 H new ATOM 0 HA VAL A 62 3.421 1.523 -0.268 1.00 0.00 H new ATOM 0 HB VAL A 62 0.895 1.013 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.926 -0.474 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.117 0.840 -2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.652 -0.802 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.321 -1.366 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.022 -1.732 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.071 -0.702 1.688 1.00 0.00 H new ATOM 906 N PRO A 63 2.653 2.934 1.648 1.00 0.00 N ATOM 907 CA PRO A 63 2.358 3.802 2.791 1.00 0.00 C ATOM 908 C PRO A 63 0.893 3.731 3.210 1.00 0.00 C ATOM 909 O PRO A 63 -0.001 4.071 2.435 1.00 0.00 O ATOM 910 CB PRO A 63 2.698 5.201 2.271 1.00 0.00 C ATOM 911 CG PRO A 63 2.541 5.104 0.793 1.00 0.00 C ATOM 912 CD PRO A 63 2.940 3.702 0.425 1.00 0.00 C ATOM 0 HA PRO A 63 2.922 3.513 3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.030 5.953 2.692 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.714 5.489 2.543 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.512 5.308 0.496 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.170 5.835 0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.368 3.332 -0.426 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.993 3.643 0.151 1.00 0.00 H new ATOM 920 N SER A 64 0.655 3.289 4.441 1.00 0.00 N ATOM 921 CA SER A 64 -0.702 3.171 4.961 1.00 0.00 C ATOM 922 C SER A 64 -1.402 4.527 4.968 1.00 0.00 C ATOM 923 O SER A 64 -2.629 4.604 5.013 1.00 0.00 O ATOM 924 CB SER A 64 -0.679 2.590 6.376 1.00 0.00 C ATOM 925 OG SER A 64 -1.992 2.455 6.894 1.00 0.00 O ATOM 0 H SER A 64 1.384 3.007 5.096 1.00 0.00 H new ATOM 0 HA SER A 64 -1.258 2.498 4.308 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.187 1.617 6.365 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.092 3.237 7.028 1.00 0.00 H new ATOM 0 HG SER A 64 -1.964 1.937 7.726 1.00 0.00 H new ATOM 931 N ASN A 65 -0.611 5.594 4.921 1.00 0.00 N ATOM 932 CA ASN A 65 -1.153 6.947 4.922 1.00 0.00 C ATOM 933 C ASN A 65 -1.710 7.311 3.549 1.00 0.00 C ATOM 934 O ASN A 65 -2.149 8.439 3.324 1.00 0.00 O ATOM 935 CB ASN A 65 -0.073 7.952 5.329 1.00 0.00 C ATOM 936 CG ASN A 65 0.218 7.917 6.817 1.00 0.00 C ATOM 937 OD1 ASN A 65 1.135 7.228 7.265 1.00 0.00 O ATOM 938 ND2 ASN A 65 -0.564 8.661 7.590 1.00 0.00 N ATOM 0 H ASN A 65 0.407 5.547 4.882 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.966 6.985 5.647 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.843 7.740 4.777 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.390 8.956 5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.417 8.677 8.599 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.312 9.216 7.175 1.00 0.00 H new ATOM 945 N PHE A 66 -1.688 6.348 2.633 1.00 0.00 N ATOM 946 CA PHE A 66 -2.191 6.566 1.282 1.00 0.00 C ATOM 947 C PHE A 66 -3.159 5.459 0.876 1.00 0.00 C ATOM 948 O PHE A 66 -3.390 5.224 -0.311 1.00 0.00 O ATOM 949 CB PHE A 66 -1.029 6.633 0.288 1.00 0.00 C ATOM 950 CG PHE A 66 -0.127 7.815 0.498 1.00 0.00 C ATOM 951 CD1 PHE A 66 0.587 7.958 1.677 1.00 0.00 C ATOM 952 CD2 PHE A 66 0.006 8.784 -0.483 1.00 0.00 C ATOM 953 CE1 PHE A 66 1.418 9.045 1.873 1.00 0.00 C ATOM 954 CE2 PHE A 66 0.836 9.873 -0.292 1.00 0.00 C ATOM 955 CZ PHE A 66 1.542 10.004 0.888 1.00 0.00 C ATOM 0 H PHE A 66 -1.327 5.409 2.802 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.727 7.515 1.269 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.441 5.719 0.367 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.430 6.668 -0.725 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.493 7.211 2.452 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.545 8.688 -1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.970 9.144 2.796 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.932 10.621 -1.065 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.190 10.855 1.040 1.00 0.00 H new ATOM 965 N LEU A 67 -3.723 4.782 1.870 1.00 0.00 N ATOM 966 CA LEU A 67 -4.667 3.698 1.618 1.00 0.00 C ATOM 967 C LEU A 67 -5.806 3.721 2.633 1.00 0.00 C ATOM 968 O LEU A 67 -5.700 4.353 3.683 1.00 0.00 O ATOM 969 CB LEU A 67 -3.950 2.348 1.670 1.00 0.00 C ATOM 970 CG LEU A 67 -2.534 2.317 1.093 1.00 0.00 C ATOM 971 CD1 LEU A 67 -1.819 1.039 1.501 1.00 0.00 C ATOM 972 CD2 LEU A 67 -2.574 2.447 -0.423 1.00 0.00 C ATOM 0 H LEU A 67 -3.543 4.964 2.857 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.088 3.840 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.904 2.023 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.555 1.617 1.134 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.979 3.164 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.813 1.035 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.759 0.987 2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.372 0.177 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.558 2.423 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.146 1.620 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.047 3.391 -0.695 1.00 0.00 H new ATOM 984 N GLU A 68 -6.893 3.027 2.311 1.00 0.00 N ATOM 985 CA GLU A 68 -8.050 2.967 3.196 1.00 0.00 C ATOM 986 C GLU A 68 -8.762 1.623 3.071 1.00 0.00 C ATOM 987 O GLU A 68 -9.271 1.276 2.006 1.00 0.00 O ATOM 988 CB GLU A 68 -9.023 4.104 2.876 1.00 0.00 C ATOM 989 CG GLU A 68 -10.283 4.084 3.725 1.00 0.00 C ATOM 990 CD GLU A 68 -10.001 4.341 5.193 1.00 0.00 C ATOM 991 OE1 GLU A 68 -8.978 4.990 5.495 1.00 0.00 O ATOM 992 OE2 GLU A 68 -10.803 3.892 6.039 1.00 0.00 O ATOM 0 H GLU A 68 -6.996 2.499 1.445 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.697 3.077 4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.514 5.057 3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.303 4.046 1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.978 4.838 3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.774 3.117 3.617 1.00 0.00 H new ATOM 999 N GLU A 69 -8.792 0.872 4.167 1.00 0.00 N ATOM 1000 CA GLU A 69 -9.440 -0.434 4.180 1.00 0.00 C ATOM 1001 C GLU A 69 -10.770 -0.389 3.434 1.00 0.00 C ATOM 1002 O GLU A 69 -11.711 0.283 3.859 1.00 0.00 O ATOM 1003 CB GLU A 69 -9.665 -0.903 5.619 1.00 0.00 C ATOM 1004 CG GLU A 69 -10.226 -2.311 5.720 1.00 0.00 C ATOM 1005 CD GLU A 69 -10.541 -2.713 7.148 1.00 0.00 C ATOM 1006 OE1 GLU A 69 -9.841 -2.237 8.067 1.00 0.00 O ATOM 1007 OE2 GLU A 69 -11.487 -3.503 7.346 1.00 0.00 O ATOM 0 H GLU A 69 -8.375 1.145 5.057 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.783 -1.142 3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.719 -0.858 6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.348 -0.213 6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.132 -2.381 5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.509 -3.015 5.298 1.00 0.00 H new