USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 488 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 8 SER OG : rot 37:sc= 0.171 USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0.0211 (180deg=0.0113) USER MOD Single : A 24 ASN : amide:sc= -0.0206 K(o=-0.021,f=-2.7!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 83:sc= 0.298 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl -144:sc= 0 (180deg=-0.725) USER MOD Single : A 37 THR OG1 : rot 76:sc= 0.782 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0546 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0.124 K(o=0.12,f=-1.2) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.237 USER MOD Single : A 70 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.6) USER MOD Single : A 71 HIS : no HD1:sc= -0.466 X(o=-0.47,f=-0.35) USER MOD Single : A 72 MET CE :methyl -173:sc= 0 (180deg=-0.0742) USER MOD Single : A 73 THR OG1 : rot -74:sc= 0.933 USER MOD ----------------------------------------------------------------- ATOM 110 N SER A 8 -0.312 17.252 1.888 1.00 0.00 N ATOM 111 CA SER A 8 -1.164 16.975 0.739 1.00 0.00 C ATOM 112 C SER A 8 -0.619 15.807 -0.098 1.00 0.00 C ATOM 113 O SER A 8 0.402 15.201 0.248 1.00 0.00 O ATOM 114 CB SER A 8 -1.269 18.237 -0.121 1.00 0.00 C ATOM 115 OG SER A 8 -1.713 19.333 0.659 1.00 0.00 O ATOM 0 HA SER A 8 -2.151 16.686 1.099 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.299 18.466 -0.561 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.961 18.066 -0.946 1.00 0.00 H new ATOM 0 HG SER A 8 -1.316 19.280 1.553 1.00 0.00 H new ATOM 121 N GLU A 9 -1.293 15.535 -1.227 1.00 0.00 N ATOM 122 CA GLU A 9 -0.960 14.428 -2.147 1.00 0.00 C ATOM 123 C GLU A 9 0.460 14.514 -2.739 1.00 0.00 C ATOM 124 O GLU A 9 0.966 13.527 -3.251 1.00 0.00 O ATOM 125 CB GLU A 9 -1.976 14.387 -3.294 1.00 0.00 C ATOM 126 CG GLU A 9 -2.060 15.686 -4.093 1.00 0.00 C ATOM 127 CD GLU A 9 -2.979 15.580 -5.283 1.00 0.00 C ATOM 128 OE1 GLU A 9 -2.536 15.075 -6.333 1.00 0.00 O ATOM 129 OE2 GLU A 9 -4.150 15.994 -5.175 1.00 0.00 O ATOM 0 H GLU A 9 -2.096 16.084 -1.533 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.999 13.517 -1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.714 13.573 -3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.961 14.158 -2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.408 16.487 -3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.062 15.963 -4.433 1.00 0.00 H new ATOM 136 N GLU A 10 1.077 15.695 -2.644 1.00 0.00 N ATOM 137 CA GLU A 10 2.402 15.977 -3.187 1.00 0.00 C ATOM 138 C GLU A 10 3.519 15.221 -2.431 1.00 0.00 C ATOM 139 O GLU A 10 4.471 14.743 -3.051 1.00 0.00 O ATOM 140 CB GLU A 10 2.596 17.493 -3.136 1.00 0.00 C ATOM 141 CG GLU A 10 3.816 18.028 -3.865 1.00 0.00 C ATOM 142 CD GLU A 10 3.764 19.534 -4.017 1.00 0.00 C ATOM 143 OE1 GLU A 10 3.377 20.219 -3.047 1.00 0.00 O ATOM 144 OE2 GLU A 10 4.068 20.037 -5.112 1.00 0.00 O ATOM 0 H GLU A 10 0.657 16.498 -2.176 1.00 0.00 H new ATOM 0 HA GLU A 10 2.469 15.622 -4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.709 17.968 -3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.658 17.797 -2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.717 17.749 -3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.883 17.565 -4.850 1.00 0.00 H new ATOM 151 N GLU A 11 3.384 15.079 -1.106 1.00 0.00 N ATOM 152 CA GLU A 11 4.332 14.285 -0.317 1.00 0.00 C ATOM 153 C GLU A 11 3.937 12.803 -0.346 1.00 0.00 C ATOM 154 O GLU A 11 4.780 11.920 -0.174 1.00 0.00 O ATOM 155 CB GLU A 11 4.409 14.805 1.125 1.00 0.00 C ATOM 156 CG GLU A 11 5.512 14.186 1.976 1.00 0.00 C ATOM 157 CD GLU A 11 5.445 14.616 3.426 1.00 0.00 C ATOM 158 OE1 GLU A 11 5.903 15.735 3.745 1.00 0.00 O ATOM 159 OE2 GLU A 11 4.940 13.832 4.252 1.00 0.00 O ATOM 0 H GLU A 11 2.632 15.501 -0.561 1.00 0.00 H new ATOM 0 HA GLU A 11 5.322 14.385 -0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.554 15.885 1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.451 14.624 1.612 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.441 13.100 1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.482 14.464 1.564 1.00 0.00 H new ATOM 166 N ILE A 12 2.649 12.539 -0.615 1.00 0.00 N ATOM 167 CA ILE A 12 2.135 11.169 -0.746 1.00 0.00 C ATOM 168 C ILE A 12 2.667 10.524 -2.049 1.00 0.00 C ATOM 169 O ILE A 12 2.730 9.306 -2.157 1.00 0.00 O ATOM 170 CB ILE A 12 0.570 11.119 -0.711 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.013 11.993 0.422 1.00 0.00 C ATOM 172 CG2 ILE A 12 0.068 9.687 -0.546 1.00 0.00 C ATOM 173 CD1 ILE A 12 0.407 11.600 1.828 1.00 0.00 C ATOM 0 H ILE A 12 1.942 13.262 -0.747 1.00 0.00 H new ATOM 0 HA ILE A 12 2.494 10.600 0.112 1.00 0.00 H new ATOM 0 HB ILE A 12 0.228 11.516 -1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.282 13.028 0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.101 11.958 0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.022 9.684 -0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.417 9.081 -1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.450 9.273 0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.056 12.275 2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.087 10.578 2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.492 11.665 1.915 1.00 0.00 H new ATOM 185 N ARG A 13 3.063 11.370 -3.022 1.00 0.00 N ATOM 186 CA ARG A 13 3.756 10.924 -4.244 1.00 0.00 C ATOM 187 C ARG A 13 5.052 10.197 -3.907 1.00 0.00 C ATOM 188 O ARG A 13 5.312 9.114 -4.426 1.00 0.00 O ATOM 189 CB ARG A 13 4.090 12.113 -5.157 1.00 0.00 C ATOM 190 CG ARG A 13 2.866 12.835 -5.657 1.00 0.00 C ATOM 191 CD ARG A 13 3.187 13.974 -6.605 1.00 0.00 C ATOM 192 NE ARG A 13 1.962 14.672 -7.004 1.00 0.00 N ATOM 193 CZ ARG A 13 1.206 14.349 -8.065 1.00 0.00 C ATOM 194 NH1 ARG A 13 1.600 13.413 -8.924 1.00 0.00 N ATOM 195 NH2 ARG A 13 0.052 14.971 -8.255 1.00 0.00 N ATOM 0 H ARG A 13 2.911 12.378 -2.981 1.00 0.00 H new ATOM 0 HA ARG A 13 3.078 10.244 -4.761 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.722 12.815 -4.613 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.669 11.758 -6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.214 12.123 -6.163 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.310 13.226 -4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.871 14.673 -6.124 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.696 13.587 -7.488 1.00 0.00 H new ATOM 0 HE ARG A 13 1.661 15.462 -6.433 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.487 12.930 -8.781 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.015 13.178 -9.726 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.255 15.688 -7.598 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.530 14.733 -9.058 1.00 0.00 H new ATOM 209 N GLU A 14 5.836 10.795 -3.005 1.00 0.00 N ATOM 210 CA GLU A 14 7.124 10.242 -2.602 1.00 0.00 C ATOM 211 C GLU A 14 6.935 9.060 -1.641 1.00 0.00 C ATOM 212 O GLU A 14 7.670 8.079 -1.723 1.00 0.00 O ATOM 213 CB GLU A 14 7.982 11.344 -1.958 1.00 0.00 C ATOM 214 CG GLU A 14 9.417 10.934 -1.638 1.00 0.00 C ATOM 215 CD GLU A 14 10.219 10.549 -2.871 1.00 0.00 C ATOM 216 OE1 GLU A 14 10.856 11.438 -3.469 1.00 0.00 O ATOM 217 OE2 GLU A 14 10.227 9.356 -3.238 1.00 0.00 O ATOM 0 H GLU A 14 5.594 11.670 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 14 7.640 9.867 -3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.006 12.204 -2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.498 11.670 -1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.918 11.757 -1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.402 10.093 -0.945 1.00 0.00 H new ATOM 224 N ALA A 15 5.919 9.153 -0.764 1.00 0.00 N ATOM 225 CA ALA A 15 5.579 8.081 0.183 1.00 0.00 C ATOM 226 C ALA A 15 5.120 6.816 -0.541 1.00 0.00 C ATOM 227 O ALA A 15 5.413 5.711 -0.102 1.00 0.00 O ATOM 228 CB ALA A 15 4.503 8.555 1.148 1.00 0.00 C ATOM 0 H ALA A 15 5.314 9.971 -0.694 1.00 0.00 H new ATOM 0 HA ALA A 15 6.480 7.834 0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.260 7.752 1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.867 9.419 1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.610 8.833 0.589 1.00 0.00 H new ATOM 234 N PHE A 16 4.447 6.996 -1.679 1.00 0.00 N ATOM 235 CA PHE A 16 3.974 5.891 -2.509 1.00 0.00 C ATOM 236 C PHE A 16 5.144 5.094 -3.106 1.00 0.00 C ATOM 237 O PHE A 16 5.049 3.881 -3.279 1.00 0.00 O ATOM 238 CB PHE A 16 3.068 6.439 -3.625 1.00 0.00 C ATOM 239 CG PHE A 16 2.496 5.383 -4.517 1.00 0.00 C ATOM 240 CD1 PHE A 16 1.520 4.526 -4.049 1.00 0.00 C ATOM 241 CD2 PHE A 16 2.947 5.236 -5.814 1.00 0.00 C ATOM 242 CE1 PHE A 16 1.009 3.539 -4.853 1.00 0.00 C ATOM 243 CE2 PHE A 16 2.435 4.252 -6.623 1.00 0.00 C ATOM 244 CZ PHE A 16 1.466 3.402 -6.138 1.00 0.00 C ATOM 0 H PHE A 16 4.215 7.917 -2.051 1.00 0.00 H new ATOM 0 HA PHE A 16 3.403 5.207 -1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.250 7.000 -3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.640 7.142 -4.231 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.155 4.634 -3.038 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.709 5.900 -6.195 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.249 2.872 -4.475 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.791 4.145 -7.637 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.065 2.625 -6.772 1.00 0.00 H new ATOM 254 N ARG A 17 6.252 5.785 -3.376 1.00 0.00 N ATOM 255 CA ARG A 17 7.428 5.171 -3.993 1.00 0.00 C ATOM 256 C ARG A 17 8.170 4.261 -3.012 1.00 0.00 C ATOM 257 O ARG A 17 8.771 3.270 -3.422 1.00 0.00 O ATOM 258 CB ARG A 17 8.385 6.249 -4.517 1.00 0.00 C ATOM 259 CG ARG A 17 7.741 7.251 -5.468 1.00 0.00 C ATOM 260 CD ARG A 17 7.170 6.587 -6.712 1.00 0.00 C ATOM 261 NE ARG A 17 8.213 5.983 -7.542 1.00 0.00 N ATOM 262 CZ ARG A 17 8.009 5.087 -8.510 1.00 0.00 C ATOM 263 NH1 ARG A 17 6.780 4.666 -8.811 1.00 0.00 N ATOM 264 NH2 ARG A 17 9.046 4.620 -9.182 1.00 0.00 N ATOM 0 H ARG A 17 6.360 6.779 -3.175 1.00 0.00 H new ATOM 0 HA ARG A 17 7.076 4.562 -4.825 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.805 6.789 -3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.216 5.763 -5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.946 7.783 -4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.481 7.994 -5.764 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.453 5.821 -6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.623 7.326 -7.298 1.00 0.00 H new ATOM 0 HE ARG A 17 9.176 6.271 -7.366 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.977 5.029 -8.298 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.643 3.981 -9.554 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.987 4.945 -8.958 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.906 3.935 -9.925 1.00 0.00 H new ATOM 278 N VAL A 18 8.106 4.595 -1.715 1.00 0.00 N ATOM 279 CA VAL A 18 8.764 3.794 -0.669 1.00 0.00 C ATOM 280 C VAL A 18 7.928 2.570 -0.331 1.00 0.00 C ATOM 281 O VAL A 18 8.468 1.535 0.053 1.00 0.00 O ATOM 282 CB VAL A 18 8.995 4.550 0.667 1.00 0.00 C ATOM 283 CG1 VAL A 18 10.353 4.203 1.251 1.00 0.00 C ATOM 284 CG2 VAL A 18 8.833 6.045 0.526 1.00 0.00 C ATOM 0 H VAL A 18 7.607 5.412 -1.364 1.00 0.00 H new ATOM 0 HA VAL A 18 9.733 3.536 -1.095 1.00 0.00 H new ATOM 0 HB VAL A 18 8.220 4.217 1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.495 4.743 2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.405 3.131 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.135 4.486 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.006 6.522 1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.554 6.422 -0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.823 6.271 0.185 1.00 0.00 H new ATOM 294 N PHE A 19 6.610 2.700 -0.462 1.00 0.00 N ATOM 295 CA PHE A 19 5.707 1.619 -0.113 1.00 0.00 C ATOM 296 C PHE A 19 5.558 0.603 -1.266 1.00 0.00 C ATOM 297 O PHE A 19 5.242 -0.565 -1.035 1.00 0.00 O ATOM 298 CB PHE A 19 4.337 2.159 0.320 1.00 0.00 C ATOM 299 CG PHE A 19 4.267 2.587 1.768 1.00 0.00 C ATOM 300 CD1 PHE A 19 4.695 3.839 2.174 1.00 0.00 C ATOM 301 CD2 PHE A 19 3.762 1.726 2.723 1.00 0.00 C ATOM 302 CE1 PHE A 19 4.616 4.225 3.497 1.00 0.00 C ATOM 303 CE2 PHE A 19 3.681 2.103 4.050 1.00 0.00 C ATOM 304 CZ PHE A 19 4.111 3.354 4.438 1.00 0.00 C ATOM 0 H PHE A 19 6.150 3.542 -0.807 1.00 0.00 H new ATOM 0 HA PHE A 19 6.147 1.092 0.734 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.079 3.009 -0.311 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.584 1.391 0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.097 4.525 1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.425 0.743 2.428 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.950 5.208 3.794 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.281 1.418 4.783 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.052 3.650 5.475 1.00 0.00 H new ATOM 314 N ASP A 20 5.794 1.062 -2.500 1.00 0.00 N ATOM 315 CA ASP A 20 5.803 0.185 -3.672 1.00 0.00 C ATOM 316 C ASP A 20 7.217 -0.368 -3.885 1.00 0.00 C ATOM 317 O ASP A 20 8.137 0.370 -4.238 1.00 0.00 O ATOM 318 CB ASP A 20 5.306 0.904 -4.944 1.00 0.00 C ATOM 319 CG ASP A 20 4.962 -0.066 -6.078 1.00 0.00 C ATOM 320 OD1 ASP A 20 5.726 -0.986 -6.352 1.00 0.00 O ATOM 321 OD2 ASP A 20 3.919 0.068 -6.708 1.00 0.00 O ATOM 0 H ASP A 20 5.982 2.042 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 20 5.111 -0.636 -3.483 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.425 1.497 -4.700 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.073 1.599 -5.286 1.00 0.00 H new ATOM 326 N LYS A 21 7.367 -1.669 -3.650 1.00 0.00 N ATOM 327 CA LYS A 21 8.667 -2.353 -3.699 1.00 0.00 C ATOM 328 C LYS A 21 9.218 -2.554 -5.122 1.00 0.00 C ATOM 329 O LYS A 21 10.428 -2.716 -5.296 1.00 0.00 O ATOM 330 CB LYS A 21 8.551 -3.715 -3.002 1.00 0.00 C ATOM 331 CG LYS A 21 8.187 -3.665 -1.510 1.00 0.00 C ATOM 332 CD LYS A 21 9.299 -3.079 -0.637 1.00 0.00 C ATOM 333 CE LYS A 21 9.211 -1.561 -0.515 1.00 0.00 C ATOM 334 NZ LYS A 21 10.384 -0.981 0.176 1.00 0.00 N ATOM 0 H LYS A 21 6.589 -2.286 -3.418 1.00 0.00 H new ATOM 0 HA LYS A 21 9.375 -1.703 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.798 -4.307 -3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.500 -4.241 -3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.283 -3.070 -1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.956 -4.673 -1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.248 -3.523 0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.267 -3.350 -1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.126 -1.124 -1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.304 -1.295 0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.210 0.026 0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.543 -1.484 1.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.225 -1.077 -0.428 1.00 0.00 H new ATOM 348 N ASP A 22 8.347 -2.539 -6.130 1.00 0.00 N ATOM 349 CA ASP A 22 8.769 -2.803 -7.510 1.00 0.00 C ATOM 350 C ASP A 22 8.646 -1.562 -8.415 1.00 0.00 C ATOM 351 O ASP A 22 9.170 -1.546 -9.527 1.00 0.00 O ATOM 352 CB ASP A 22 7.964 -3.981 -8.092 1.00 0.00 C ATOM 353 CG ASP A 22 6.462 -3.849 -7.893 1.00 0.00 C ATOM 354 OD1 ASP A 22 5.872 -2.912 -8.417 1.00 0.00 O ATOM 355 OD2 ASP A 22 5.864 -4.653 -7.168 1.00 0.00 O ATOM 0 H ASP A 22 7.351 -2.348 -6.021 1.00 0.00 H new ATOM 0 HA ASP A 22 9.827 -3.065 -7.481 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.175 -4.063 -9.158 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.304 -4.907 -7.628 1.00 0.00 H new ATOM 360 N GLY A 23 7.972 -0.532 -7.908 1.00 0.00 N ATOM 361 CA GLY A 23 7.824 0.740 -8.610 1.00 0.00 C ATOM 362 C GLY A 23 6.769 0.759 -9.725 1.00 0.00 C ATOM 363 O GLY A 23 6.831 1.638 -10.588 1.00 0.00 O ATOM 0 H GLY A 23 7.513 -0.556 -6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.572 1.510 -7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.788 1.012 -9.041 1.00 0.00 H new ATOM 367 N ASN A 24 5.778 -0.156 -9.711 1.00 0.00 N ATOM 368 CA ASN A 24 4.833 -0.268 -10.846 1.00 0.00 C ATOM 369 C ASN A 24 3.584 0.613 -10.705 1.00 0.00 C ATOM 370 O ASN A 24 2.897 0.871 -11.697 1.00 0.00 O ATOM 371 CB ASN A 24 4.421 -1.729 -11.134 1.00 0.00 C ATOM 372 CG ASN A 24 3.389 -2.347 -10.179 1.00 0.00 C ATOM 373 OD1 ASN A 24 3.325 -2.045 -8.981 1.00 0.00 O ATOM 374 ND2 ASN A 24 2.580 -3.237 -10.717 1.00 0.00 N ATOM 0 H ASN A 24 5.611 -0.813 -8.949 1.00 0.00 H new ATOM 0 HA ASN A 24 5.396 0.108 -11.700 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.022 -1.778 -12.147 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.318 -2.347 -11.114 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.875 -3.699 -10.142 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.658 -3.464 -11.708 1.00 0.00 H new ATOM 381 N GLY A 25 3.279 1.060 -9.493 1.00 0.00 N ATOM 382 CA GLY A 25 2.093 1.872 -9.285 1.00 0.00 C ATOM 383 C GLY A 25 0.953 1.112 -8.621 1.00 0.00 C ATOM 384 O GLY A 25 -0.181 1.583 -8.608 1.00 0.00 O ATOM 0 H GLY A 25 3.828 0.876 -8.653 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.354 2.733 -8.670 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.752 2.258 -10.246 1.00 0.00 H new ATOM 388 N TYR A 26 1.272 -0.061 -8.086 1.00 0.00 N ATOM 389 CA TYR A 26 0.330 -0.876 -7.322 1.00 0.00 C ATOM 390 C TYR A 26 1.040 -1.440 -6.102 1.00 0.00 C ATOM 391 O TYR A 26 2.120 -2.018 -6.228 1.00 0.00 O ATOM 392 CB TYR A 26 -0.172 -2.075 -8.129 1.00 0.00 C ATOM 393 CG TYR A 26 -1.028 -1.745 -9.319 1.00 0.00 C ATOM 394 CD1 TYR A 26 -2.217 -1.044 -9.174 1.00 0.00 C ATOM 395 CD2 TYR A 26 -0.650 -2.153 -10.588 1.00 0.00 C ATOM 396 CE1 TYR A 26 -2.997 -0.765 -10.264 1.00 0.00 C ATOM 397 CE2 TYR A 26 -1.433 -1.876 -11.683 1.00 0.00 C ATOM 398 CZ TYR A 26 -2.607 -1.183 -11.517 1.00 0.00 C ATOM 399 OH TYR A 26 -3.393 -0.895 -12.605 1.00 0.00 O ATOM 0 H TYR A 26 2.199 -0.478 -8.170 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.511 -0.235 -7.056 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.691 -2.646 -8.472 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.741 -2.725 -7.464 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.529 -0.716 -8.194 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.274 -2.697 -10.719 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.919 -0.216 -10.141 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.127 -2.201 -12.667 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.977 -1.259 -13.414 1.00 0.00 H new ATOM 409 N ILE A 27 0.430 -1.298 -4.942 1.00 0.00 N ATOM 410 CA ILE A 27 0.945 -1.904 -3.728 1.00 0.00 C ATOM 411 C ILE A 27 0.137 -3.166 -3.437 1.00 0.00 C ATOM 412 O ILE A 27 -1.036 -3.095 -3.070 1.00 0.00 O ATOM 413 CB ILE A 27 0.886 -0.934 -2.513 1.00 0.00 C ATOM 414 CG1 ILE A 27 1.576 0.397 -2.857 1.00 0.00 C ATOM 415 CG2 ILE A 27 1.547 -1.563 -1.287 1.00 0.00 C ATOM 416 CD1 ILE A 27 1.382 1.482 -1.815 1.00 0.00 C ATOM 0 H ILE A 27 -0.430 -0.764 -4.813 1.00 0.00 H new ATOM 0 HA ILE A 27 1.996 -2.148 -3.882 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.162 -0.741 -2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.644 0.218 -2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.195 0.755 -3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.495 -0.868 -0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.028 -2.485 -1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.591 -1.785 -1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.899 2.388 -2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.318 1.692 -1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.789 1.147 -0.861 1.00 0.00 H new ATOM 428 N SER A 28 0.768 -4.310 -3.656 1.00 0.00 N ATOM 429 CA SER A 28 0.149 -5.602 -3.404 1.00 0.00 C ATOM 430 C SER A 28 0.285 -5.989 -1.927 1.00 0.00 C ATOM 431 O SER A 28 0.930 -5.272 -1.151 1.00 0.00 O ATOM 432 CB SER A 28 0.809 -6.659 -4.297 1.00 0.00 C ATOM 433 OG SER A 28 0.840 -6.229 -5.648 1.00 0.00 O ATOM 0 H SER A 28 1.722 -4.369 -4.013 1.00 0.00 H new ATOM 0 HA SER A 28 -0.914 -5.542 -3.638 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.824 -6.853 -3.949 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.261 -7.598 -4.222 1.00 0.00 H new ATOM 0 HG SER A 28 1.613 -5.642 -5.787 1.00 0.00 H new ATOM 439 N ALA A 29 -0.318 -7.126 -1.547 1.00 0.00 N ATOM 440 CA ALA A 29 -0.263 -7.616 -0.168 1.00 0.00 C ATOM 441 C ALA A 29 1.150 -8.009 0.226 1.00 0.00 C ATOM 442 O ALA A 29 1.549 -7.777 1.347 1.00 0.00 O ATOM 443 CB ALA A 29 -1.194 -8.797 0.036 1.00 0.00 C ATOM 0 H ALA A 29 -0.850 -7.722 -2.181 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.589 -6.796 0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.129 -9.137 1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.218 -8.495 -0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.904 -9.608 -0.631 1.00 0.00 H new ATOM 449 N ALA A 30 1.903 -8.581 -0.716 1.00 0.00 N ATOM 450 CA ALA A 30 3.295 -8.971 -0.484 1.00 0.00 C ATOM 451 C ALA A 30 4.214 -7.753 -0.346 1.00 0.00 C ATOM 452 O ALA A 30 5.180 -7.780 0.421 1.00 0.00 O ATOM 453 CB ALA A 30 3.770 -9.863 -1.620 1.00 0.00 C ATOM 0 H ALA A 30 1.567 -8.786 -1.657 1.00 0.00 H new ATOM 0 HA ALA A 30 3.339 -9.519 0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.806 -10.153 -1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.147 -10.756 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.698 -9.321 -2.563 1.00 0.00 H new ATOM 459 N GLU A 31 3.879 -6.677 -1.069 1.00 0.00 N ATOM 460 CA GLU A 31 4.670 -5.446 -1.063 1.00 0.00 C ATOM 461 C GLU A 31 4.547 -4.709 0.261 1.00 0.00 C ATOM 462 O GLU A 31 5.560 -4.429 0.897 1.00 0.00 O ATOM 463 CB GLU A 31 4.241 -4.527 -2.201 1.00 0.00 C ATOM 464 CG GLU A 31 4.506 -5.104 -3.571 1.00 0.00 C ATOM 465 CD GLU A 31 4.157 -4.129 -4.660 1.00 0.00 C ATOM 466 OE1 GLU A 31 4.732 -3.034 -4.685 1.00 0.00 O ATOM 467 OE2 GLU A 31 3.328 -4.452 -5.526 1.00 0.00 O ATOM 0 H GLU A 31 3.056 -6.638 -1.671 1.00 0.00 H new ATOM 0 HA GLU A 31 5.713 -5.731 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.176 -4.314 -2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.766 -3.576 -2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.557 -5.380 -3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.925 -6.017 -3.700 1.00 0.00 H new ATOM 474 N LEU A 32 3.297 -4.453 0.690 1.00 0.00 N ATOM 475 CA LEU A 32 3.015 -3.733 1.940 1.00 0.00 C ATOM 476 C LEU A 32 3.463 -4.544 3.156 1.00 0.00 C ATOM 477 O LEU A 32 3.865 -3.978 4.165 1.00 0.00 O ATOM 478 CB LEU A 32 1.516 -3.422 2.052 1.00 0.00 C ATOM 479 CG LEU A 32 1.116 -2.527 3.234 1.00 0.00 C ATOM 480 CD1 LEU A 32 1.636 -1.115 3.035 1.00 0.00 C ATOM 481 CD2 LEU A 32 -0.389 -2.519 3.433 1.00 0.00 C ATOM 0 H LEU A 32 2.460 -4.739 0.181 1.00 0.00 H new ATOM 0 HA LEU A 32 3.577 -2.799 1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.192 -2.942 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.972 -4.363 2.130 1.00 0.00 H new ATOM 0 HG LEU A 32 1.570 -2.940 4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.342 -0.496 3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.723 -1.135 2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.216 -0.698 2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.641 -1.877 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.873 -2.141 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.735 -3.533 3.633 1.00 0.00 H new ATOM 493 N ARG A 33 3.405 -5.871 3.018 1.00 0.00 N ATOM 494 CA ARG A 33 3.858 -6.829 4.032 1.00 0.00 C ATOM 495 C ARG A 33 5.326 -6.630 4.372 1.00 0.00 C ATOM 496 O ARG A 33 5.695 -6.556 5.544 1.00 0.00 O ATOM 497 CB ARG A 33 3.670 -8.218 3.461 1.00 0.00 C ATOM 498 CG ARG A 33 3.726 -9.357 4.440 1.00 0.00 C ATOM 499 CD ARG A 33 3.654 -10.668 3.688 1.00 0.00 C ATOM 500 NE ARG A 33 2.448 -10.771 2.859 1.00 0.00 N ATOM 501 CZ ARG A 33 2.355 -11.506 1.748 1.00 0.00 C ATOM 502 NH1 ARG A 33 3.372 -12.248 1.325 1.00 0.00 N ATOM 503 NH2 ARG A 33 1.229 -11.485 1.049 1.00 0.00 N ATOM 0 H ARG A 33 3.034 -6.320 2.181 1.00 0.00 H new ATOM 0 HA ARG A 33 3.282 -6.684 4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.706 -8.251 2.954 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.435 -8.382 2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.647 -9.308 5.020 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.900 -9.285 5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.536 -10.770 3.056 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.674 -11.494 4.399 1.00 0.00 H new ATOM 0 HE ARG A 33 1.624 -10.245 3.151 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.245 -12.264 1.852 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.280 -12.802 0.474 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.445 -10.912 1.361 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.146 -12.042 0.199 1.00 0.00 H new ATOM 517 N HIS A 34 6.139 -6.504 3.320 1.00 0.00 N ATOM 518 CA HIS A 34 7.577 -6.351 3.454 1.00 0.00 C ATOM 519 C HIS A 34 7.921 -4.960 4.025 1.00 0.00 C ATOM 520 O HIS A 34 8.881 -4.829 4.780 1.00 0.00 O ATOM 521 CB HIS A 34 8.248 -6.571 2.084 1.00 0.00 C ATOM 522 CG HIS A 34 9.729 -6.828 2.143 1.00 0.00 C ATOM 523 ND1 HIS A 34 10.270 -8.091 2.207 1.00 0.00 N ATOM 524 CD2 HIS A 34 10.781 -5.975 2.118 1.00 0.00 C ATOM 525 CE1 HIS A 34 11.587 -8.007 2.223 1.00 0.00 C ATOM 526 NE2 HIS A 34 11.922 -6.733 2.173 1.00 0.00 N ATOM 0 H HIS A 34 5.812 -6.506 2.354 1.00 0.00 H new ATOM 0 HA HIS A 34 7.956 -7.098 4.152 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.766 -7.415 1.590 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.070 -5.694 1.462 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.730 -4.898 2.065 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.273 -8.840 2.269 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.875 -6.370 2.175 1.00 0.00 H new ATOM 535 N VAL A 35 7.112 -3.939 3.673 1.00 0.00 N ATOM 536 CA VAL A 35 7.291 -2.576 4.203 1.00 0.00 C ATOM 537 C VAL A 35 6.999 -2.541 5.702 1.00 0.00 C ATOM 538 O VAL A 35 7.767 -1.967 6.453 1.00 0.00 O ATOM 539 CB VAL A 35 6.396 -1.516 3.493 1.00 0.00 C ATOM 540 CG1 VAL A 35 6.743 -0.105 3.950 1.00 0.00 C ATOM 541 CG2 VAL A 35 6.524 -1.598 1.992 1.00 0.00 C ATOM 0 H VAL A 35 6.330 -4.035 3.025 1.00 0.00 H new ATOM 0 HA VAL A 35 8.331 -2.316 4.008 1.00 0.00 H new ATOM 0 HB VAL A 35 5.366 -1.739 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.102 0.612 3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.590 -0.023 5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.786 0.108 3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.886 -0.844 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.561 -1.421 1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.218 -2.588 1.654 1.00 0.00 H new ATOM 551 N MET A 36 5.916 -3.207 6.125 1.00 0.00 N ATOM 552 CA MET A 36 5.512 -3.259 7.540 1.00 0.00 C ATOM 553 C MET A 36 6.549 -3.973 8.399 1.00 0.00 C ATOM 554 O MET A 36 6.814 -3.561 9.519 1.00 0.00 O ATOM 555 CB MET A 36 4.158 -3.949 7.707 1.00 0.00 C ATOM 556 CG MET A 36 2.992 -3.169 7.127 1.00 0.00 C ATOM 557 SD MET A 36 2.863 -1.504 7.800 1.00 0.00 S ATOM 558 CE MET A 36 1.418 -0.909 6.934 1.00 0.00 C ATOM 0 H MET A 36 5.297 -3.723 5.500 1.00 0.00 H new ATOM 0 HA MET A 36 5.431 -2.225 7.877 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.200 -4.928 7.230 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.976 -4.118 8.768 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.102 -3.111 6.044 1.00 0.00 H new ATOM 0 HG3 MET A 36 2.066 -3.709 7.324 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.541 0.149 6.704 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.293 -1.469 6.007 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.537 -1.044 7.561 1.00 0.00 H new ATOM 568 N THR A 37 7.144 -5.024 7.851 1.00 0.00 N ATOM 569 CA THR A 37 8.211 -5.764 8.524 1.00 0.00 C ATOM 570 C THR A 37 9.476 -4.887 8.689 1.00 0.00 C ATOM 571 O THR A 37 10.120 -4.903 9.741 1.00 0.00 O ATOM 572 CB THR A 37 8.525 -7.054 7.730 1.00 0.00 C ATOM 573 OG1 THR A 37 7.321 -7.815 7.571 1.00 0.00 O ATOM 574 CG2 THR A 37 9.567 -7.924 8.423 1.00 0.00 C ATOM 0 H THR A 37 6.904 -5.390 6.930 1.00 0.00 H new ATOM 0 HA THR A 37 7.876 -6.039 9.524 1.00 0.00 H new ATOM 0 HB THR A 37 8.930 -6.752 6.764 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.758 -7.397 6.886 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.752 -8.817 7.825 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.495 -7.363 8.533 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.201 -8.216 9.407 1.00 0.00 H new ATOM 582 N ASN A 38 9.768 -4.078 7.665 1.00 0.00 N ATOM 583 CA ASN A 38 10.912 -3.158 7.662 1.00 0.00 C ATOM 584 C ASN A 38 10.706 -1.970 8.622 1.00 0.00 C ATOM 585 O ASN A 38 11.660 -1.514 9.256 1.00 0.00 O ATOM 586 CB ASN A 38 11.153 -2.673 6.217 1.00 0.00 C ATOM 587 CG ASN A 38 12.259 -1.639 6.073 1.00 0.00 C ATOM 588 OD1 ASN A 38 12.007 -0.438 6.094 1.00 0.00 O ATOM 589 ND2 ASN A 38 13.487 -2.099 5.915 1.00 0.00 N ATOM 0 H ASN A 38 9.214 -4.042 6.809 1.00 0.00 H new ATOM 0 HA ASN A 38 11.791 -3.691 8.024 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.395 -3.534 5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.226 -2.250 5.830 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.265 -1.449 5.805 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.657 -3.105 5.903 1.00 0.00 H new ATOM 596 N LEU A 39 9.458 -1.502 8.743 1.00 0.00 N ATOM 597 CA LEU A 39 9.115 -0.373 9.620 1.00 0.00 C ATOM 598 C LEU A 39 9.167 -0.765 11.096 1.00 0.00 C ATOM 599 O LEU A 39 9.420 0.079 11.958 1.00 0.00 O ATOM 600 CB LEU A 39 7.707 0.163 9.300 1.00 0.00 C ATOM 601 CG LEU A 39 7.500 0.753 7.901 1.00 0.00 C ATOM 602 CD1 LEU A 39 6.037 1.107 7.689 1.00 0.00 C ATOM 603 CD2 LEU A 39 8.377 1.975 7.683 1.00 0.00 C ATOM 0 H LEU A 39 8.661 -1.891 8.240 1.00 0.00 H new ATOM 0 HA LEU A 39 9.857 0.403 9.435 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.994 -0.650 9.436 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.459 0.930 10.034 1.00 0.00 H new ATOM 0 HG LEU A 39 7.790 -0.002 7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.905 1.525 6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.427 0.209 7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.729 1.841 8.434 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.207 2.371 6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.129 2.737 8.421 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.425 1.694 7.790 1.00 0.00 H new ATOM 615 N GLY A 40 8.937 -2.050 11.374 1.00 0.00 N ATOM 616 CA GLY A 40 8.851 -2.530 12.744 1.00 0.00 C ATOM 617 C GLY A 40 7.412 -2.707 13.180 1.00 0.00 C ATOM 618 O GLY A 40 7.134 -2.933 14.356 1.00 0.00 O ATOM 0 H GLY A 40 8.808 -2.772 10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.378 -3.480 12.832 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.350 -1.826 13.410 1.00 0.00 H new ATOM 622 N GLU A 41 6.506 -2.613 12.205 1.00 0.00 N ATOM 623 CA GLU A 41 5.066 -2.738 12.423 1.00 0.00 C ATOM 624 C GLU A 41 4.661 -4.193 12.628 1.00 0.00 C ATOM 625 O GLU A 41 3.645 -4.457 13.268 1.00 0.00 O ATOM 626 CB GLU A 41 4.291 -2.159 11.232 1.00 0.00 C ATOM 627 CG GLU A 41 4.467 -0.665 11.036 1.00 0.00 C ATOM 628 CD GLU A 41 3.935 0.136 12.197 1.00 0.00 C ATOM 629 OE1 GLU A 41 2.713 0.355 12.261 1.00 0.00 O ATOM 630 OE2 GLU A 41 4.741 0.547 13.050 1.00 0.00 O ATOM 0 H GLU A 41 6.756 -2.446 11.230 1.00 0.00 H new ATOM 0 HA GLU A 41 4.822 -2.177 13.325 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.608 -2.672 10.324 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.231 -2.373 11.366 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.525 -0.442 10.899 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.956 -0.359 10.123 1.00 0.00 H new ATOM 637 N LYS A 42 5.497 -5.113 12.080 1.00 0.00 N ATOM 638 CA LYS A 42 5.354 -6.588 12.172 1.00 0.00 C ATOM 639 C LYS A 42 3.921 -7.087 11.909 1.00 0.00 C ATOM 640 O LYS A 42 3.320 -7.812 12.710 1.00 0.00 O ATOM 641 CB LYS A 42 5.941 -7.174 13.490 1.00 0.00 C ATOM 642 CG LYS A 42 5.367 -6.622 14.792 1.00 0.00 C ATOM 643 CD LYS A 42 5.752 -7.456 15.992 1.00 0.00 C ATOM 644 CE LYS A 42 5.050 -6.950 17.237 1.00 0.00 C ATOM 645 NZ LYS A 42 5.228 -7.864 18.389 1.00 0.00 N ATOM 0 H LYS A 42 6.319 -4.837 11.543 1.00 0.00 H new ATOM 0 HA LYS A 42 5.962 -6.978 11.356 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.791 -8.254 13.481 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.017 -7.002 13.491 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.718 -5.600 14.936 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.280 -6.578 14.717 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.488 -8.499 15.817 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.832 -7.420 16.136 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.436 -5.964 17.495 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.986 -6.832 17.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.732 -7.479 19.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.836 -8.798 18.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.241 -7.957 18.605 1.00 0.00 H new ATOM 659 N LEU A 43 3.373 -6.672 10.774 1.00 0.00 N ATOM 660 CA LEU A 43 2.041 -7.088 10.374 1.00 0.00 C ATOM 661 C LEU A 43 2.089 -8.464 9.726 1.00 0.00 C ATOM 662 O LEU A 43 2.918 -8.722 8.842 1.00 0.00 O ATOM 663 CB LEU A 43 1.415 -6.071 9.414 1.00 0.00 C ATOM 664 CG LEU A 43 0.355 -5.133 10.009 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.949 -4.229 11.075 1.00 0.00 C ATOM 666 CD2 LEU A 43 -0.291 -4.306 8.911 1.00 0.00 C ATOM 0 H LEU A 43 3.835 -6.046 10.114 1.00 0.00 H new ATOM 0 HA LEU A 43 1.419 -7.141 11.268 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.214 -5.460 8.994 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.962 -6.617 8.586 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.409 -5.748 10.484 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.171 -3.578 11.475 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.362 -4.838 11.879 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.741 -3.621 10.637 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.041 -3.645 9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.471 -3.710 8.409 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.767 -4.969 8.189 1.00 0.00 H new ATOM 678 N THR A 44 1.206 -9.344 10.194 1.00 0.00 N ATOM 679 CA THR A 44 1.091 -10.711 9.679 1.00 0.00 C ATOM 680 C THR A 44 0.388 -10.707 8.310 1.00 0.00 C ATOM 681 O THR A 44 -0.055 -9.661 7.852 1.00 0.00 O ATOM 682 CB THR A 44 0.294 -11.596 10.669 1.00 0.00 C ATOM 683 OG1 THR A 44 0.310 -11.012 11.976 1.00 0.00 O ATOM 684 CG2 THR A 44 0.896 -12.990 10.762 1.00 0.00 C ATOM 0 H THR A 44 0.547 -9.131 10.943 1.00 0.00 H new ATOM 0 HA THR A 44 2.095 -11.120 9.565 1.00 0.00 H new ATOM 0 HB THR A 44 -0.728 -11.666 10.298 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.198 -11.578 12.594 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.317 -13.590 11.464 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.876 -13.461 9.779 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.927 -12.919 11.110 1.00 0.00 H new ATOM 692 N ASP A 45 0.268 -11.872 7.669 1.00 0.00 N ATOM 693 CA ASP A 45 -0.331 -11.972 6.333 1.00 0.00 C ATOM 694 C ASP A 45 -1.817 -11.593 6.348 1.00 0.00 C ATOM 695 O ASP A 45 -2.286 -10.910 5.445 1.00 0.00 O ATOM 696 CB ASP A 45 -0.158 -13.386 5.786 1.00 0.00 C ATOM 697 CG ASP A 45 -0.659 -13.537 4.365 1.00 0.00 C ATOM 698 OD1 ASP A 45 0.058 -13.132 3.440 1.00 0.00 O ATOM 699 OD2 ASP A 45 -1.763 -14.078 4.171 1.00 0.00 O ATOM 0 H ASP A 45 0.579 -12.764 8.054 1.00 0.00 H new ATOM 0 HA ASP A 45 0.186 -11.265 5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.897 -13.658 5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.691 -14.086 6.429 1.00 0.00 H new ATOM 704 N GLU A 46 -2.529 -12.013 7.397 1.00 0.00 N ATOM 705 CA GLU A 46 -3.942 -11.659 7.579 1.00 0.00 C ATOM 706 C GLU A 46 -4.110 -10.180 7.931 1.00 0.00 C ATOM 707 O GLU A 46 -5.087 -9.551 7.529 1.00 0.00 O ATOM 708 CB GLU A 46 -4.563 -12.518 8.675 1.00 0.00 C ATOM 709 CG GLU A 46 -4.639 -13.993 8.330 1.00 0.00 C ATOM 710 CD GLU A 46 -5.254 -14.804 9.442 1.00 0.00 C ATOM 711 OE1 GLU A 46 -6.491 -14.890 9.498 1.00 0.00 O ATOM 712 OE2 GLU A 46 -4.502 -15.335 10.282 1.00 0.00 O ATOM 0 H GLU A 46 -2.149 -12.602 8.138 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.452 -11.845 6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.983 -12.398 9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.568 -12.152 8.885 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.225 -14.122 7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.637 -14.368 8.120 1.00 0.00 H new ATOM 719 N GLU A 47 -3.131 -9.634 8.656 1.00 0.00 N ATOM 720 CA GLU A 47 -3.145 -8.230 9.068 1.00 0.00 C ATOM 721 C GLU A 47 -2.933 -7.299 7.878 1.00 0.00 C ATOM 722 O GLU A 47 -3.651 -6.314 7.736 1.00 0.00 O ATOM 723 CB GLU A 47 -2.068 -7.976 10.123 1.00 0.00 C ATOM 724 CG GLU A 47 -2.245 -8.791 11.396 1.00 0.00 C ATOM 725 CD GLU A 47 -3.457 -8.373 12.198 1.00 0.00 C ATOM 726 OE1 GLU A 47 -4.554 -8.901 11.945 1.00 0.00 O ATOM 727 OE2 GLU A 47 -3.315 -7.514 13.088 1.00 0.00 O ATOM 0 H GLU A 47 -2.310 -10.150 8.972 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.126 -8.019 9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.092 -8.201 9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.067 -6.917 10.379 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.333 -9.846 11.137 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.353 -8.688 12.014 1.00 0.00 H new ATOM 734 N VAL A 48 -1.964 -7.640 7.015 1.00 0.00 N ATOM 735 CA VAL A 48 -1.687 -6.872 5.797 1.00 0.00 C ATOM 736 C VAL A 48 -2.830 -7.035 4.793 1.00 0.00 C ATOM 737 O VAL A 48 -3.155 -6.089 4.099 1.00 0.00 O ATOM 738 CB VAL A 48 -0.336 -7.278 5.130 1.00 0.00 C ATOM 739 CG1 VAL A 48 -0.049 -6.455 3.885 1.00 0.00 C ATOM 740 CG2 VAL A 48 0.814 -7.119 6.094 1.00 0.00 C ATOM 0 H VAL A 48 -1.356 -8.449 7.142 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.605 -5.826 6.094 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.434 -8.325 4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.900 -6.770 3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.847 -6.605 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.006 -5.399 4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.743 -7.409 5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.881 -6.079 6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.650 -7.755 6.964 1.00 0.00 H new ATOM 750 N ASP A 49 -3.461 -8.218 4.769 1.00 0.00 N ATOM 751 CA ASP A 49 -4.612 -8.493 3.895 1.00 0.00 C ATOM 752 C ASP A 49 -5.770 -7.524 4.163 1.00 0.00 C ATOM 753 O ASP A 49 -6.318 -6.949 3.223 1.00 0.00 O ATOM 754 CB ASP A 49 -5.086 -9.939 4.079 1.00 0.00 C ATOM 755 CG ASP A 49 -6.363 -10.250 3.321 1.00 0.00 C ATOM 756 OD1 ASP A 49 -6.345 -10.227 2.076 1.00 0.00 O ATOM 757 OD2 ASP A 49 -7.386 -10.527 3.971 1.00 0.00 O ATOM 0 H ASP A 49 -3.189 -9.009 5.353 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.285 -8.349 2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.300 -10.617 3.747 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.245 -10.130 5.140 1.00 0.00 H new ATOM 762 N GLU A 50 -6.102 -7.322 5.445 1.00 0.00 N ATOM 763 CA GLU A 50 -7.178 -6.406 5.838 1.00 0.00 C ATOM 764 C GLU A 50 -6.791 -4.942 5.628 1.00 0.00 C ATOM 765 O GLU A 50 -7.658 -4.116 5.394 1.00 0.00 O ATOM 766 CB GLU A 50 -7.586 -6.615 7.297 1.00 0.00 C ATOM 767 CG GLU A 50 -8.040 -8.030 7.609 1.00 0.00 C ATOM 768 CD GLU A 50 -8.805 -8.120 8.910 1.00 0.00 C ATOM 769 OE1 GLU A 50 -8.177 -8.075 9.984 1.00 0.00 O ATOM 770 OE2 GLU A 50 -10.043 -8.222 8.861 1.00 0.00 O ATOM 0 H GLU A 50 -5.639 -7.782 6.228 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.025 -6.637 5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.743 -6.364 7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.391 -5.922 7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.668 -8.394 6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.170 -8.685 7.657 1.00 0.00 H new ATOM 777 N MET A 51 -5.489 -4.635 5.684 1.00 0.00 N ATOM 778 CA MET A 51 -4.995 -3.268 5.455 1.00 0.00 C ATOM 779 C MET A 51 -4.926 -2.932 3.967 1.00 0.00 C ATOM 780 O MET A 51 -5.015 -1.760 3.596 1.00 0.00 O ATOM 781 CB MET A 51 -3.616 -3.069 6.086 1.00 0.00 C ATOM 782 CG MET A 51 -3.629 -3.105 7.602 1.00 0.00 C ATOM 783 SD MET A 51 -4.680 -1.835 8.329 1.00 0.00 S ATOM 784 CE MET A 51 -4.475 -2.206 10.070 1.00 0.00 C ATOM 0 H MET A 51 -4.756 -5.315 5.886 1.00 0.00 H new ATOM 0 HA MET A 51 -5.708 -2.593 5.929 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.943 -3.844 5.719 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.210 -2.112 5.757 1.00 0.00 H new ATOM 0 HG2 MET A 51 -3.971 -4.085 7.933 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.611 -2.981 7.971 1.00 0.00 H new ATOM 0 HE1 MET A 51 -5.064 -1.506 10.663 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.813 -3.223 10.267 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.423 -2.114 10.340 1.00 0.00 H new ATOM 794 N ILE A 52 -4.746 -3.963 3.131 1.00 0.00 N ATOM 795 CA ILE A 52 -4.780 -3.822 1.675 1.00 0.00 C ATOM 796 C ILE A 52 -6.184 -3.450 1.221 1.00 0.00 C ATOM 797 O ILE A 52 -6.335 -2.471 0.521 1.00 0.00 O ATOM 798 CB ILE A 52 -4.265 -5.112 0.941 1.00 0.00 C ATOM 799 CG1 ILE A 52 -2.736 -5.221 1.059 1.00 0.00 C ATOM 800 CG2 ILE A 52 -4.679 -5.165 -0.539 1.00 0.00 C ATOM 801 CD1 ILE A 52 -1.971 -4.061 0.446 1.00 0.00 C ATOM 0 H ILE A 52 -4.573 -4.917 3.448 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.097 -3.018 1.401 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.736 -5.961 1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.471 -5.298 2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.413 -6.146 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.294 -6.079 -0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.766 -5.153 -0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.270 -4.301 -1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.901 -4.222 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.202 -3.994 -0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.261 -3.133 0.939 1.00 0.00 H new ATOM 813 N ARG A 53 -7.200 -4.194 1.678 1.00 0.00 N ATOM 814 CA ARG A 53 -8.599 -3.917 1.315 1.00 0.00 C ATOM 815 C ARG A 53 -9.158 -2.665 2.012 1.00 0.00 C ATOM 816 O ARG A 53 -10.129 -2.082 1.541 1.00 0.00 O ATOM 817 CB ARG A 53 -9.507 -5.140 1.535 1.00 0.00 C ATOM 818 CG ARG A 53 -9.281 -5.900 2.837 1.00 0.00 C ATOM 819 CD ARG A 53 -10.224 -7.080 2.953 1.00 0.00 C ATOM 820 NE ARG A 53 -9.704 -8.138 3.824 1.00 0.00 N ATOM 821 CZ ARG A 53 -10.434 -8.812 4.716 1.00 0.00 C ATOM 822 NH1 ARG A 53 -11.683 -8.456 4.999 1.00 0.00 N ATOM 823 NH2 ARG A 53 -9.893 -9.843 5.350 1.00 0.00 N ATOM 0 H ARG A 53 -7.081 -4.993 2.300 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.595 -3.703 0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.545 -4.810 1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.366 -5.830 0.703 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.250 -6.249 2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.428 -5.229 3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.183 -6.736 3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.409 -7.491 1.960 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.715 -8.376 3.743 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.103 -7.653 4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.222 -8.986 5.684 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.929 -10.113 5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.441 -10.366 6.034 1.00 0.00 H new ATOM 837 N GLU A 54 -8.545 -2.268 3.134 1.00 0.00 N ATOM 838 CA GLU A 54 -8.891 -1.017 3.823 1.00 0.00 C ATOM 839 C GLU A 54 -8.389 0.203 3.021 1.00 0.00 C ATOM 840 O GLU A 54 -9.015 1.263 3.022 1.00 0.00 O ATOM 841 CB GLU A 54 -8.271 -1.022 5.232 1.00 0.00 C ATOM 842 CG GLU A 54 -8.804 0.043 6.177 1.00 0.00 C ATOM 843 CD GLU A 54 -10.291 -0.091 6.432 1.00 0.00 C ATOM 844 OE1 GLU A 54 -10.686 -0.948 7.245 1.00 0.00 O ATOM 845 OE2 GLU A 54 -11.067 0.670 5.823 1.00 0.00 O ATOM 0 H GLU A 54 -7.801 -2.799 3.587 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.975 -0.945 3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.438 -2.001 5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.193 -0.895 5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.270 -0.019 7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.599 1.029 5.759 1.00 0.00 H new ATOM 852 N ALA A 55 -7.262 0.028 2.328 1.00 0.00 N ATOM 853 CA ALA A 55 -6.678 1.077 1.496 1.00 0.00 C ATOM 854 C ALA A 55 -7.228 1.043 0.071 1.00 0.00 C ATOM 855 O ALA A 55 -7.167 2.038 -0.654 1.00 0.00 O ATOM 856 CB ALA A 55 -5.165 0.932 1.468 1.00 0.00 C ATOM 0 H ALA A 55 -6.731 -0.843 2.329 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.949 2.038 1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.736 1.717 0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.773 1.017 2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.900 -0.042 1.057 1.00 0.00 H new ATOM 862 N ASP A 56 -7.761 -0.113 -0.312 1.00 0.00 N ATOM 863 CA ASP A 56 -8.204 -0.360 -1.666 1.00 0.00 C ATOM 864 C ASP A 56 -9.676 -0.022 -1.815 1.00 0.00 C ATOM 865 O ASP A 56 -10.534 -0.564 -1.119 1.00 0.00 O ATOM 866 CB ASP A 56 -7.952 -1.817 -2.051 1.00 0.00 C ATOM 867 CG ASP A 56 -7.776 -1.993 -3.533 1.00 0.00 C ATOM 868 OD1 ASP A 56 -6.748 -1.583 -4.059 1.00 0.00 O ATOM 869 OD2 ASP A 56 -8.667 -2.517 -4.188 1.00 0.00 O ATOM 0 H ASP A 56 -7.895 -0.905 0.317 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.633 0.281 -2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.061 -2.178 -1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.787 -2.430 -1.711 1.00 0.00 H new ATOM 874 N ILE A 57 -9.945 0.886 -2.733 1.00 0.00 N ATOM 875 CA ILE A 57 -11.285 1.396 -2.982 1.00 0.00 C ATOM 876 C ILE A 57 -12.095 0.406 -3.835 1.00 0.00 C ATOM 877 O ILE A 57 -13.233 0.067 -3.501 1.00 0.00 O ATOM 878 CB ILE A 57 -11.214 2.781 -3.695 1.00 0.00 C ATOM 879 CG1 ILE A 57 -10.331 3.767 -2.896 1.00 0.00 C ATOM 880 CG2 ILE A 57 -12.615 3.368 -3.882 1.00 0.00 C ATOM 881 CD1 ILE A 57 -10.050 5.067 -3.624 1.00 0.00 C ATOM 0 H ILE A 57 -9.232 1.297 -3.336 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.787 1.517 -2.022 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.765 2.628 -4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.820 3.991 -1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.384 3.282 -2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.541 4.334 -4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.215 2.691 -4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.088 3.498 -2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.425 5.706 -3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.532 4.856 -4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.990 5.576 -3.837 1.00 0.00 H new ATOM 893 N ASP A 58 -11.477 -0.093 -4.908 1.00 0.00 N ATOM 894 CA ASP A 58 -12.191 -0.864 -5.941 1.00 0.00 C ATOM 895 C ASP A 58 -12.263 -2.384 -5.659 1.00 0.00 C ATOM 896 O ASP A 58 -13.045 -3.090 -6.301 1.00 0.00 O ATOM 897 CB ASP A 58 -11.526 -0.610 -7.316 1.00 0.00 C ATOM 898 CG ASP A 58 -10.026 -0.846 -7.314 1.00 0.00 C ATOM 899 OD1 ASP A 58 -9.600 -1.831 -6.756 1.00 0.00 O ATOM 900 OD2 ASP A 58 -9.253 -0.035 -7.843 1.00 0.00 O ATOM 0 H ASP A 58 -10.480 0.021 -5.089 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.223 -0.513 -5.935 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.987 -1.260 -8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.724 0.417 -7.623 1.00 0.00 H new ATOM 905 N GLY A 59 -11.493 -2.864 -4.673 1.00 0.00 N ATOM 906 CA GLY A 59 -11.468 -4.288 -4.318 1.00 0.00 C ATOM 907 C GLY A 59 -10.781 -5.206 -5.343 1.00 0.00 C ATOM 908 O GLY A 59 -11.285 -6.298 -5.622 1.00 0.00 O ATOM 0 H GLY A 59 -10.877 -2.283 -4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.962 -4.398 -3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.494 -4.629 -4.178 1.00 0.00 H new ATOM 912 N ASP A 60 -9.636 -4.784 -5.883 1.00 0.00 N ATOM 913 CA ASP A 60 -8.868 -5.601 -6.852 1.00 0.00 C ATOM 914 C ASP A 60 -7.687 -6.329 -6.189 1.00 0.00 C ATOM 915 O ASP A 60 -7.116 -7.259 -6.766 1.00 0.00 O ATOM 916 CB ASP A 60 -8.357 -4.758 -8.050 1.00 0.00 C ATOM 917 CG ASP A 60 -7.480 -3.557 -7.668 1.00 0.00 C ATOM 918 OD1 ASP A 60 -7.082 -3.445 -6.523 1.00 0.00 O ATOM 919 OD2 ASP A 60 -7.256 -2.663 -8.491 1.00 0.00 O ATOM 0 H ASP A 60 -9.211 -3.881 -5.671 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.566 -6.349 -7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.789 -5.407 -8.716 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.217 -4.397 -8.614 1.00 0.00 H new ATOM 924 N GLY A 61 -7.318 -5.888 -4.984 1.00 0.00 N ATOM 925 CA GLY A 61 -6.189 -6.470 -4.275 1.00 0.00 C ATOM 926 C GLY A 61 -4.876 -5.708 -4.469 1.00 0.00 C ATOM 927 O GLY A 61 -3.866 -6.061 -3.853 1.00 0.00 O ATOM 0 H GLY A 61 -7.786 -5.132 -4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.422 -6.509 -3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.054 -7.499 -4.609 1.00 0.00 H new ATOM 931 N GLN A 62 -4.872 -4.695 -5.342 1.00 0.00 N ATOM 932 CA GLN A 62 -3.676 -3.882 -5.584 1.00 0.00 C ATOM 933 C GLN A 62 -4.021 -2.398 -5.453 1.00 0.00 C ATOM 934 O GLN A 62 -4.920 -1.878 -6.132 1.00 0.00 O ATOM 935 CB GLN A 62 -3.112 -4.090 -6.993 1.00 0.00 C ATOM 936 CG GLN A 62 -3.217 -5.505 -7.544 1.00 0.00 C ATOM 937 CD GLN A 62 -2.812 -5.588 -8.999 1.00 0.00 C ATOM 938 OE1 GLN A 62 -1.648 -5.803 -9.318 1.00 0.00 O ATOM 939 NE2 GLN A 62 -3.770 -5.420 -9.895 1.00 0.00 N ATOM 0 H GLN A 62 -5.685 -4.419 -5.893 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.935 -4.191 -4.847 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.629 -3.415 -7.675 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.062 -3.798 -6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.585 -6.169 -6.955 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.242 -5.860 -7.434 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.727 -5.243 -9.591 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.552 -5.468 -10.890 1.00 0.00 H new ATOM 948 N VAL A 63 -3.208 -1.707 -4.695 1.00 0.00 N ATOM 949 CA VAL A 63 -3.487 -0.346 -4.284 1.00 0.00 C ATOM 950 C VAL A 63 -2.767 0.626 -5.212 1.00 0.00 C ATOM 951 O VAL A 63 -1.543 0.720 -5.188 1.00 0.00 O ATOM 952 CB VAL A 63 -3.059 -0.131 -2.795 1.00 0.00 C ATOM 953 CG1 VAL A 63 -3.373 1.276 -2.304 1.00 0.00 C ATOM 954 CG2 VAL A 63 -3.731 -1.154 -1.881 1.00 0.00 C ATOM 0 H VAL A 63 -2.324 -2.073 -4.340 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.559 -0.158 -4.352 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.978 -0.268 -2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.058 1.378 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.841 2.003 -2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.446 1.456 -2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.417 -0.983 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.814 -1.050 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.442 -2.160 -2.186 1.00 0.00 H new ATOM 964 N ASN A 64 -3.537 1.338 -6.043 1.00 0.00 N ATOM 965 CA ASN A 64 -2.990 2.347 -6.966 1.00 0.00 C ATOM 966 C ASN A 64 -2.370 3.531 -6.222 1.00 0.00 C ATOM 967 O ASN A 64 -2.398 3.605 -4.991 1.00 0.00 O ATOM 968 CB ASN A 64 -4.066 2.984 -7.838 1.00 0.00 C ATOM 969 CG ASN A 64 -4.686 2.149 -8.921 1.00 0.00 C ATOM 970 OD1 ASN A 64 -4.133 2.030 -10.005 1.00 0.00 O ATOM 971 ND2 ASN A 64 -5.895 1.692 -8.686 1.00 0.00 N ATOM 0 H ASN A 64 -4.550 1.234 -6.097 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.258 1.795 -7.555 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.866 3.327 -7.182 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.635 3.869 -8.305 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.412 1.215 -9.424 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.316 1.814 -7.765 1.00 0.00 H new ATOM 978 N TYR A 65 -1.867 4.492 -7.004 1.00 0.00 N ATOM 979 CA TYR A 65 -1.480 5.796 -6.478 1.00 0.00 C ATOM 980 C TYR A 65 -2.713 6.515 -5.902 1.00 0.00 C ATOM 981 O TYR A 65 -2.660 7.029 -4.789 1.00 0.00 O ATOM 982 CB TYR A 65 -0.788 6.639 -7.575 1.00 0.00 C ATOM 983 CG TYR A 65 -0.582 8.093 -7.200 1.00 0.00 C ATOM 984 CD1 TYR A 65 0.401 8.479 -6.296 1.00 0.00 C ATOM 985 CD2 TYR A 65 -1.414 9.073 -7.725 1.00 0.00 C ATOM 986 CE1 TYR A 65 0.541 9.803 -5.927 1.00 0.00 C ATOM 987 CE2 TYR A 65 -1.272 10.392 -7.370 1.00 0.00 C ATOM 988 CZ TYR A 65 -0.303 10.753 -6.469 1.00 0.00 C ATOM 989 OH TYR A 65 -0.193 12.069 -6.092 1.00 0.00 O ATOM 0 H TYR A 65 -1.720 4.386 -8.008 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.761 5.659 -5.670 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.180 6.193 -7.804 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.385 6.591 -8.486 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.063 7.735 -5.877 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.187 8.793 -8.425 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.304 10.093 -5.220 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.921 11.142 -7.798 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.862 12.603 -6.569 1.00 0.00 H new ATOM 999 N GLU A 66 -3.826 6.494 -6.660 1.00 0.00 N ATOM 1000 CA GLU A 66 -5.104 7.106 -6.245 1.00 0.00 C ATOM 1001 C GLU A 66 -5.669 6.487 -4.957 1.00 0.00 C ATOM 1002 O GLU A 66 -6.176 7.205 -4.100 1.00 0.00 O ATOM 1003 CB GLU A 66 -6.145 7.011 -7.382 1.00 0.00 C ATOM 1004 CG GLU A 66 -6.282 5.635 -8.014 1.00 0.00 C ATOM 1005 CD GLU A 66 -7.164 5.633 -9.240 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -6.695 6.074 -10.311 1.00 0.00 O ATOM 1007 OE2 GLU A 66 -8.320 5.190 -9.142 1.00 0.00 O ATOM 0 H GLU A 66 -3.865 6.052 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.894 8.154 -6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.117 7.313 -6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.878 7.727 -8.160 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.293 5.266 -8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.691 4.943 -7.278 1.00 0.00 H new ATOM 1014 N GLU A 67 -5.519 5.169 -4.814 1.00 0.00 N ATOM 1015 CA GLU A 67 -6.050 4.429 -3.671 1.00 0.00 C ATOM 1016 C GLU A 67 -5.200 4.637 -2.416 1.00 0.00 C ATOM 1017 O GLU A 67 -5.730 4.681 -1.301 1.00 0.00 O ATOM 1018 CB GLU A 67 -6.146 2.954 -4.044 1.00 0.00 C ATOM 1019 CG GLU A 67 -7.268 2.689 -5.029 1.00 0.00 C ATOM 1020 CD GLU A 67 -7.373 1.247 -5.426 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -6.446 0.713 -6.049 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -8.399 0.630 -5.137 1.00 0.00 O ATOM 0 H GLU A 67 -5.025 4.585 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.044 4.807 -3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.200 2.627 -4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.307 2.362 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.213 3.008 -4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.111 3.295 -5.921 1.00 0.00 H new ATOM 1029 N PHE A 68 -3.889 4.810 -2.616 1.00 0.00 N ATOM 1030 CA PHE A 68 -2.959 5.062 -1.519 1.00 0.00 C ATOM 1031 C PHE A 68 -3.151 6.474 -0.968 1.00 0.00 C ATOM 1032 O PHE A 68 -3.174 6.652 0.243 1.00 0.00 O ATOM 1033 CB PHE A 68 -1.510 4.851 -1.980 1.00 0.00 C ATOM 1034 CG PHE A 68 -0.482 4.962 -0.880 1.00 0.00 C ATOM 1035 CD1 PHE A 68 -0.439 4.031 0.148 1.00 0.00 C ATOM 1036 CD2 PHE A 68 0.450 5.987 -0.886 1.00 0.00 C ATOM 1037 CE1 PHE A 68 0.508 4.129 1.149 1.00 0.00 C ATOM 1038 CE2 PHE A 68 1.397 6.089 0.114 1.00 0.00 C ATOM 1039 CZ PHE A 68 1.427 5.158 1.130 1.00 0.00 C ATOM 0 H PHE A 68 -3.449 4.779 -3.536 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.169 4.351 -0.720 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.428 3.866 -2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.277 5.583 -2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.153 3.221 0.166 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.436 6.716 -1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.529 3.401 1.946 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.113 6.897 0.100 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.169 5.234 1.911 1.00 0.00 H new ATOM 1049 N VAL A 69 -3.330 7.458 -1.867 1.00 0.00 N ATOM 1050 CA VAL A 69 -3.561 8.856 -1.475 1.00 0.00 C ATOM 1051 C VAL A 69 -4.860 8.998 -0.675 1.00 0.00 C ATOM 1052 O VAL A 69 -4.875 9.707 0.325 1.00 0.00 O ATOM 1053 CB VAL A 69 -3.559 9.824 -2.704 1.00 0.00 C ATOM 1054 CG1 VAL A 69 -3.962 11.249 -2.327 1.00 0.00 C ATOM 1055 CG2 VAL A 69 -2.185 9.861 -3.341 1.00 0.00 C ATOM 0 H VAL A 69 -3.319 7.307 -2.876 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.728 9.145 -0.834 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.296 9.436 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.944 11.879 -3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.967 11.243 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.262 11.642 -1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.198 10.538 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.455 10.211 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.912 8.860 -3.676 1.00 0.00 H new ATOM 1065 N GLN A 70 -5.915 8.265 -1.066 1.00 0.00 N ATOM 1066 CA GLN A 70 -7.204 8.332 -0.372 1.00 0.00 C ATOM 1067 C GLN A 70 -7.133 7.760 1.041 1.00 0.00 C ATOM 1068 O GLN A 70 -7.817 8.244 1.927 1.00 0.00 O ATOM 1069 CB GLN A 70 -8.291 7.612 -1.170 1.00 0.00 C ATOM 1070 CG GLN A 70 -8.707 8.354 -2.430 1.00 0.00 C ATOM 1071 CD GLN A 70 -9.317 9.720 -2.161 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -9.974 9.935 -1.144 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -9.091 10.659 -3.062 1.00 0.00 N ATOM 0 H GLN A 70 -5.897 7.622 -1.857 1.00 0.00 H new ATOM 0 HA GLN A 70 -7.459 9.389 -0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.933 6.619 -1.443 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.165 7.472 -0.534 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.836 8.475 -3.074 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.427 7.746 -2.978 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.541 10.445 -3.894 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.466 11.598 -2.925 1.00 0.00 H new ATOM 1082 N HIS A 71 -6.272 6.764 1.251 1.00 0.00 N ATOM 1083 CA HIS A 71 -6.100 6.160 2.573 1.00 0.00 C ATOM 1084 C HIS A 71 -5.160 7.004 3.456 1.00 0.00 C ATOM 1085 O HIS A 71 -5.267 6.977 4.677 1.00 0.00 O ATOM 1086 CB HIS A 71 -5.574 4.721 2.419 1.00 0.00 C ATOM 1087 CG HIS A 71 -5.573 3.918 3.692 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -6.715 3.379 4.247 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -4.558 3.563 4.515 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -6.399 2.734 5.354 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -5.099 2.832 5.538 1.00 0.00 N ATOM 0 H HIS A 71 -5.683 6.358 0.524 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.068 6.130 3.073 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.182 4.203 1.678 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.558 4.759 2.027 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -3.515 3.811 4.388 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.090 2.213 6.000 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -4.579 2.428 6.317 1.00 0.00 H new ATOM 1100 N MET A 72 -4.257 7.758 2.832 1.00 0.00 N ATOM 1101 CA MET A 72 -3.284 8.580 3.558 1.00 0.00 C ATOM 1102 C MET A 72 -3.877 9.929 3.975 1.00 0.00 C ATOM 1103 O MET A 72 -3.458 10.511 4.976 1.00 0.00 O ATOM 1104 CB MET A 72 -2.032 8.795 2.701 1.00 0.00 C ATOM 1105 CG MET A 72 -1.183 7.544 2.528 1.00 0.00 C ATOM 1106 SD MET A 72 -0.173 7.143 3.964 1.00 0.00 S ATOM 1107 CE MET A 72 1.218 8.239 3.702 1.00 0.00 C ATOM 0 H MET A 72 -4.177 7.818 1.817 1.00 0.00 H new ATOM 0 HA MET A 72 -3.012 8.044 4.468 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.334 9.157 1.718 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.422 9.576 3.155 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.837 6.700 2.309 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.532 7.675 1.664 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.993 8.025 4.438 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.617 8.087 2.699 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.891 9.273 3.809 1.00 0.00 H new ATOM 1117 N THR A 73 -4.854 10.419 3.210 1.00 0.00 N ATOM 1118 CA THR A 73 -5.494 11.698 3.504 1.00 0.00 C ATOM 1119 C THR A 73 -6.712 11.522 4.412 1.00 0.00 C ATOM 1120 O THR A 73 -7.002 12.390 5.231 1.00 0.00 O ATOM 1121 CB THR A 73 -5.901 12.454 2.216 1.00 0.00 C ATOM 1122 OG1 THR A 73 -6.700 11.614 1.372 1.00 0.00 O ATOM 1123 CG2 THR A 73 -4.668 12.926 1.451 1.00 0.00 C ATOM 0 H THR A 73 -5.218 9.948 2.382 1.00 0.00 H new ATOM 0 HA THR A 73 -4.752 12.299 4.030 1.00 0.00 H new ATOM 0 HB THR A 73 -6.486 13.325 2.510 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.129 10.943 0.943 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.979 13.454 0.550 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.083 13.596 2.081 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.060 12.065 1.175 1.00 0.00 H new