USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 500 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 7:sc= 0.705 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0569) USER MOD Single : A 29 SER OG : rot -71:sc= 1.08 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot 76:sc= -0.151 USER MOD Single : A 38 TYR OH : rot -167:sc= 1.33 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl -178:sc= -3.49! (180deg=-3.56) USER MOD Single : A 47 GLN : amide:sc=-0.00108 X(o=-0.0011,f=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 153:sc= -0.466 (180deg=-1.22) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -143:sc= 0 (180deg=-0.926) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 118 N SER A 12 -10.877 18.568 -1.037 1.00 0.00 N ATOM 119 CA SER A 12 -10.080 17.722 -0.165 1.00 0.00 C ATOM 120 C SER A 12 -10.975 16.692 0.527 1.00 0.00 C ATOM 121 O SER A 12 -10.510 15.624 0.920 1.00 0.00 O ATOM 122 CB SER A 12 -9.328 18.556 0.874 1.00 0.00 C ATOM 123 OG SER A 12 -9.401 19.951 0.594 1.00 0.00 O ATOM 0 HA SER A 12 -9.343 17.200 -0.775 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.743 18.363 1.863 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.283 18.246 0.901 1.00 0.00 H new ATOM 0 HG SER A 12 -10.012 20.102 -0.157 1.00 0.00 H new ATOM 129 N THR A 13 -12.244 17.051 0.656 1.00 0.00 N ATOM 130 CA THR A 13 -13.209 16.171 1.295 1.00 0.00 C ATOM 131 C THR A 13 -13.139 14.770 0.684 1.00 0.00 C ATOM 132 O THR A 13 -12.929 13.789 1.395 1.00 0.00 O ATOM 133 CB THR A 13 -14.590 16.818 1.175 1.00 0.00 C ATOM 134 OG1 THR A 13 -14.529 17.932 2.061 1.00 0.00 O ATOM 135 CG2 THR A 13 -15.700 15.940 1.755 1.00 0.00 C ATOM 0 H THR A 13 -12.626 17.938 0.329 1.00 0.00 H new ATOM 0 HA THR A 13 -12.986 16.041 2.354 1.00 0.00 H new ATOM 0 HB THR A 13 -14.803 17.027 0.127 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.384 18.410 2.044 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.659 16.446 1.644 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.728 14.989 1.223 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.505 15.758 2.812 1.00 0.00 H new ATOM 143 N ALA A 14 -13.320 14.722 -0.628 1.00 0.00 N ATOM 144 CA ALA A 14 -13.281 13.457 -1.343 1.00 0.00 C ATOM 145 C ALA A 14 -12.122 12.611 -0.810 1.00 0.00 C ATOM 146 O ALA A 14 -12.250 11.396 -0.671 1.00 0.00 O ATOM 147 CB ALA A 14 -13.166 13.723 -2.845 1.00 0.00 C ATOM 0 H ALA A 14 -13.494 15.538 -1.214 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.201 12.896 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.137 12.775 -3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.027 14.302 -3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.252 14.282 -3.047 1.00 0.00 H new ATOM 153 N ALA A 15 -11.019 13.288 -0.526 1.00 0.00 N ATOM 154 CA ALA A 15 -9.839 12.614 -0.012 1.00 0.00 C ATOM 155 C ALA A 15 -10.128 12.095 1.399 1.00 0.00 C ATOM 156 O ALA A 15 -9.846 10.939 1.708 1.00 0.00 O ATOM 157 CB ALA A 15 -8.647 13.572 -0.048 1.00 0.00 C ATOM 0 H ALA A 15 -10.918 14.296 -0.642 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.586 11.756 -0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.762 13.066 0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.465 13.888 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.863 14.445 0.568 1.00 0.00 H new ATOM 163 N VAL A 16 -10.686 12.976 2.216 1.00 0.00 N ATOM 164 CA VAL A 16 -11.015 12.622 3.586 1.00 0.00 C ATOM 165 C VAL A 16 -11.897 11.372 3.587 1.00 0.00 C ATOM 166 O VAL A 16 -11.725 10.488 4.425 1.00 0.00 O ATOM 167 CB VAL A 16 -11.667 13.813 4.292 1.00 0.00 C ATOM 168 CG1 VAL A 16 -11.894 13.514 5.775 1.00 0.00 C ATOM 169 CG2 VAL A 16 -10.832 15.082 4.110 1.00 0.00 C ATOM 0 H VAL A 16 -10.919 13.934 1.955 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.111 12.383 4.146 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.640 13.984 3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.358 14.376 6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.548 12.648 5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.938 13.305 6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.317 15.913 4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.839 14.927 4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.744 15.311 3.048 1.00 0.00 H new ATOM 179 N ALA A 17 -12.821 11.337 2.638 1.00 0.00 N ATOM 180 CA ALA A 17 -13.729 10.209 2.520 1.00 0.00 C ATOM 181 C ALA A 17 -12.961 8.994 1.996 1.00 0.00 C ATOM 182 O ALA A 17 -12.888 7.965 2.666 1.00 0.00 O ATOM 183 CB ALA A 17 -14.902 10.592 1.615 1.00 0.00 C ATOM 0 H ALA A 17 -12.960 12.071 1.944 1.00 0.00 H new ATOM 0 HA ALA A 17 -14.141 9.943 3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.584 9.746 1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.432 11.441 2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.527 10.861 0.628 1.00 0.00 H new ATOM 189 N VAL A 18 -12.407 9.154 0.803 1.00 0.00 N ATOM 190 CA VAL A 18 -11.647 8.083 0.181 1.00 0.00 C ATOM 191 C VAL A 18 -10.623 7.543 1.182 1.00 0.00 C ATOM 192 O VAL A 18 -10.351 6.344 1.212 1.00 0.00 O ATOM 193 CB VAL A 18 -11.009 8.579 -1.118 1.00 0.00 C ATOM 194 CG1 VAL A 18 -9.566 9.028 -0.884 1.00 0.00 C ATOM 195 CG2 VAL A 18 -11.080 7.507 -2.208 1.00 0.00 C ATOM 0 H VAL A 18 -12.469 10.009 0.251 1.00 0.00 H new ATOM 0 HA VAL A 18 -12.304 7.257 -0.091 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.577 9.444 -1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.136 9.376 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.551 9.839 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.981 8.190 -0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.620 7.885 -3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.549 6.615 -1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.122 7.256 -2.404 1.00 0.00 H new ATOM 205 N LEU A 19 -10.082 8.455 1.977 1.00 0.00 N ATOM 206 CA LEU A 19 -9.094 8.086 2.976 1.00 0.00 C ATOM 207 C LEU A 19 -9.776 7.295 4.094 1.00 0.00 C ATOM 208 O LEU A 19 -9.228 6.310 4.585 1.00 0.00 O ATOM 209 CB LEU A 19 -8.342 9.324 3.469 1.00 0.00 C ATOM 210 CG LEU A 19 -7.286 9.891 2.518 1.00 0.00 C ATOM 211 CD1 LEU A 19 -6.604 11.118 3.125 1.00 0.00 C ATOM 212 CD2 LEU A 19 -6.277 8.814 2.115 1.00 0.00 C ATOM 0 H LEU A 19 -10.310 9.449 1.949 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.337 7.434 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.070 10.107 3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.857 9.078 4.413 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.787 10.219 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.858 11.501 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.349 11.889 3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.118 10.839 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.537 9.243 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.777 8.433 3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.797 7.998 1.613 1.00 0.00 H new ATOM 224 N LYS A 20 -10.962 7.756 4.462 1.00 0.00 N ATOM 225 CA LYS A 20 -11.725 7.103 5.513 1.00 0.00 C ATOM 226 C LYS A 20 -12.059 5.674 5.082 1.00 0.00 C ATOM 227 O LYS A 20 -11.807 4.724 5.822 1.00 0.00 O ATOM 228 CB LYS A 20 -12.953 7.938 5.880 1.00 0.00 C ATOM 229 CG LYS A 20 -13.074 8.097 7.397 1.00 0.00 C ATOM 230 CD LYS A 20 -12.691 9.513 7.832 1.00 0.00 C ATOM 231 CE LYS A 20 -12.670 9.631 9.358 1.00 0.00 C ATOM 232 NZ LYS A 20 -11.471 8.966 9.913 1.00 0.00 N ATOM 0 H LYS A 20 -11.414 8.573 4.052 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.133 7.031 6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.883 8.920 5.412 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.852 7.462 5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.096 7.881 7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.429 7.373 7.895 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.710 9.768 7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.401 10.229 7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.677 10.682 9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.570 9.179 9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.382 9.198 10.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.562 7.936 9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.625 9.296 9.406 1.00 0.00 H new ATOM 246 N ARG A 21 -12.622 5.566 3.888 1.00 0.00 N ATOM 247 CA ARG A 21 -12.993 4.268 3.350 1.00 0.00 C ATOM 248 C ARG A 21 -11.773 3.348 3.294 1.00 0.00 C ATOM 249 O ARG A 21 -11.832 2.204 3.743 1.00 0.00 O ATOM 250 CB ARG A 21 -13.586 4.403 1.945 1.00 0.00 C ATOM 251 CG ARG A 21 -15.097 4.637 2.008 1.00 0.00 C ATOM 252 CD ARG A 21 -15.824 3.388 2.511 1.00 0.00 C ATOM 253 NE ARG A 21 -17.042 3.777 3.256 1.00 0.00 N ATOM 254 CZ ARG A 21 -18.183 4.174 2.675 1.00 0.00 C ATOM 255 NH1 ARG A 21 -18.268 4.236 1.339 1.00 0.00 N ATOM 256 NH2 ARG A 21 -19.238 4.508 3.430 1.00 0.00 N ATOM 0 H ARG A 21 -12.830 6.356 3.278 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.746 3.839 4.011 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.108 5.231 1.422 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.378 3.501 1.370 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.311 5.478 2.668 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.469 4.905 1.019 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.091 2.749 1.669 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.164 2.807 3.155 1.00 0.00 H new ATOM 0 HE ARG A 21 -17.011 3.741 4.275 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.465 3.981 0.764 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -19.136 4.538 0.897 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.173 4.460 4.447 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.106 4.810 2.988 1.00 0.00 H new ATOM 270 N ALA A 22 -10.694 3.881 2.740 1.00 0.00 N ATOM 271 CA ALA A 22 -9.461 3.121 2.620 1.00 0.00 C ATOM 272 C ALA A 22 -9.179 2.403 3.941 1.00 0.00 C ATOM 273 O ALA A 22 -9.106 1.176 3.981 1.00 0.00 O ATOM 274 CB ALA A 22 -8.322 4.058 2.211 1.00 0.00 C ATOM 0 H ALA A 22 -10.648 4.830 2.369 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.553 2.361 1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.397 3.489 2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.558 4.521 1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.199 4.833 2.968 1.00 0.00 H new ATOM 280 N VAL A 23 -9.028 3.198 4.990 1.00 0.00 N ATOM 281 CA VAL A 23 -8.756 2.654 6.309 1.00 0.00 C ATOM 282 C VAL A 23 -9.604 1.399 6.523 1.00 0.00 C ATOM 283 O VAL A 23 -9.074 0.329 6.817 1.00 0.00 O ATOM 284 CB VAL A 23 -8.992 3.724 7.376 1.00 0.00 C ATOM 285 CG1 VAL A 23 -8.918 3.124 8.781 1.00 0.00 C ATOM 286 CG2 VAL A 23 -8.002 4.881 7.221 1.00 0.00 C ATOM 0 H VAL A 23 -9.089 4.215 4.953 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.710 2.358 6.391 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.997 4.121 7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.089 3.906 9.520 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.679 2.351 8.887 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.932 2.686 8.938 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.192 5.628 7.992 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.984 4.505 7.323 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.124 5.335 6.238 1.00 0.00 H new ATOM 296 N GLU A 24 -10.909 1.572 6.367 1.00 0.00 N ATOM 297 CA GLU A 24 -11.836 0.466 6.539 1.00 0.00 C ATOM 298 C GLU A 24 -11.359 -0.754 5.750 1.00 0.00 C ATOM 299 O GLU A 24 -11.171 -1.830 6.316 1.00 0.00 O ATOM 300 CB GLU A 24 -13.252 0.869 6.124 1.00 0.00 C ATOM 301 CG GLU A 24 -13.729 2.089 6.915 1.00 0.00 C ATOM 302 CD GLU A 24 -15.257 2.137 6.980 1.00 0.00 C ATOM 303 OE1 GLU A 24 -15.818 1.331 7.753 1.00 0.00 O ATOM 304 OE2 GLU A 24 -15.830 2.979 6.255 1.00 0.00 O ATOM 0 H GLU A 24 -11.346 2.461 6.124 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.864 0.201 7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.273 1.092 5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.934 0.035 6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.319 2.055 7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.352 2.999 6.448 1.00 0.00 H new ATOM 311 N LEU A 25 -11.178 -0.547 4.454 1.00 0.00 N ATOM 312 CA LEU A 25 -10.727 -1.617 3.581 1.00 0.00 C ATOM 313 C LEU A 25 -9.431 -2.212 4.137 1.00 0.00 C ATOM 314 O LEU A 25 -9.247 -3.428 4.126 1.00 0.00 O ATOM 315 CB LEU A 25 -10.605 -1.118 2.140 1.00 0.00 C ATOM 316 CG LEU A 25 -11.916 -0.732 1.451 1.00 0.00 C ATOM 317 CD1 LEU A 25 -11.658 0.194 0.261 1.00 0.00 C ATOM 318 CD2 LEU A 25 -12.711 -1.975 1.049 1.00 0.00 C ATOM 0 H LEU A 25 -11.336 0.346 3.987 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.462 -2.421 3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.944 -0.251 2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.121 -1.894 1.547 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.526 -0.177 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.606 0.453 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.165 1.102 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.019 -0.313 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.638 -1.672 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.119 -2.578 0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.943 -2.562 1.938 1.00 0.00 H new ATOM 330 N ASP A 26 -8.567 -1.326 4.610 1.00 0.00 N ATOM 331 CA ASP A 26 -7.294 -1.748 5.169 1.00 0.00 C ATOM 332 C ASP A 26 -7.547 -2.658 6.372 1.00 0.00 C ATOM 333 O ASP A 26 -6.749 -3.550 6.659 1.00 0.00 O ATOM 334 CB ASP A 26 -6.478 -0.546 5.650 1.00 0.00 C ATOM 335 CG ASP A 26 -5.019 -0.528 5.188 1.00 0.00 C ATOM 336 OD1 ASP A 26 -4.651 -1.455 4.435 1.00 0.00 O ATOM 337 OD2 ASP A 26 -4.306 0.412 5.598 1.00 0.00 O ATOM 0 H ASP A 26 -8.723 -0.318 4.618 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.741 -2.272 4.389 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.964 0.366 5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.499 -0.524 6.740 1.00 0.00 H new ATOM 342 N ALA A 27 -8.660 -2.403 7.044 1.00 0.00 N ATOM 343 CA ALA A 27 -9.028 -3.189 8.209 1.00 0.00 C ATOM 344 C ALA A 27 -9.814 -4.422 7.760 1.00 0.00 C ATOM 345 O ALA A 27 -9.865 -5.424 8.472 1.00 0.00 O ATOM 346 CB ALA A 27 -9.820 -2.316 9.184 1.00 0.00 C ATOM 0 H ALA A 27 -9.319 -1.663 6.804 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.138 -3.538 8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.096 -2.905 10.058 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.207 -1.470 9.496 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.722 -1.949 8.694 1.00 0.00 H new ATOM 352 N GLU A 28 -10.408 -4.309 6.581 1.00 0.00 N ATOM 353 CA GLU A 28 -11.189 -5.402 6.028 1.00 0.00 C ATOM 354 C GLU A 28 -10.278 -6.387 5.292 1.00 0.00 C ATOM 355 O GLU A 28 -10.745 -7.395 4.765 1.00 0.00 O ATOM 356 CB GLU A 28 -12.290 -4.877 5.103 1.00 0.00 C ATOM 357 CG GLU A 28 -13.322 -4.064 5.887 1.00 0.00 C ATOM 358 CD GLU A 28 -14.623 -4.851 6.059 1.00 0.00 C ATOM 359 OE1 GLU A 28 -14.578 -5.870 6.781 1.00 0.00 O ATOM 360 OE2 GLU A 28 -15.633 -4.415 5.466 1.00 0.00 O ATOM 0 H GLU A 28 -10.364 -3.477 5.993 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.672 -5.929 6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.849 -4.256 4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.782 -5.713 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.918 -3.803 6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.525 -3.128 5.366 1.00 0.00 H new ATOM 367 N SER A 29 -8.994 -6.059 5.280 1.00 0.00 N ATOM 368 CA SER A 29 -8.014 -6.902 4.617 1.00 0.00 C ATOM 369 C SER A 29 -8.065 -6.675 3.105 1.00 0.00 C ATOM 370 O SER A 29 -7.327 -7.310 2.353 1.00 0.00 O ATOM 371 CB SER A 29 -8.249 -8.379 4.940 1.00 0.00 C ATOM 372 OG SER A 29 -9.106 -9.004 3.989 1.00 0.00 O ATOM 0 H SER A 29 -8.610 -5.222 5.718 1.00 0.00 H new ATOM 0 HA SER A 29 -7.025 -6.630 4.985 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.293 -8.901 4.964 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.686 -8.467 5.935 1.00 0.00 H new ATOM 0 HG SER A 29 -10.021 -8.673 4.106 1.00 0.00 H new ATOM 378 N ARG A 30 -8.943 -5.767 2.704 1.00 0.00 N ATOM 379 CA ARG A 30 -9.100 -5.449 1.296 1.00 0.00 C ATOM 380 C ARG A 30 -8.055 -4.417 0.865 1.00 0.00 C ATOM 381 O ARG A 30 -8.403 -3.339 0.385 1.00 0.00 O ATOM 382 CB ARG A 30 -10.498 -4.899 1.008 1.00 0.00 C ATOM 383 CG ARG A 30 -11.578 -5.814 1.589 1.00 0.00 C ATOM 384 CD ARG A 30 -12.976 -5.265 1.300 1.00 0.00 C ATOM 385 NE ARG A 30 -13.769 -6.266 0.552 1.00 0.00 N ATOM 386 CZ ARG A 30 -15.099 -6.212 0.403 1.00 0.00 C ATOM 387 NH1 ARG A 30 -15.794 -5.205 0.949 1.00 0.00 N ATOM 388 NH2 ARG A 30 -15.735 -7.165 -0.292 1.00 0.00 N ATOM 0 H ARG A 30 -9.553 -5.242 3.330 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.961 -6.370 0.731 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.595 -3.900 1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.640 -4.801 -0.068 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.481 -6.813 1.164 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.437 -5.911 2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.478 -5.016 2.235 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.901 -4.343 0.723 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.271 -7.046 0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.310 -4.479 1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.807 -5.164 0.835 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.206 -7.932 -0.708 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.748 -7.124 -0.405 1.00 0.00 H new ATOM 402 N TYR A 31 -6.796 -4.784 1.053 1.00 0.00 N ATOM 403 CA TYR A 31 -5.698 -3.903 0.690 1.00 0.00 C ATOM 404 C TYR A 31 -5.817 -3.450 -0.767 1.00 0.00 C ATOM 405 O TYR A 31 -5.621 -2.275 -1.073 1.00 0.00 O ATOM 406 CB TYR A 31 -4.422 -4.732 0.851 1.00 0.00 C ATOM 407 CG TYR A 31 -4.146 -5.177 2.288 1.00 0.00 C ATOM 408 CD1 TYR A 31 -4.232 -4.266 3.321 1.00 0.00 C ATOM 409 CD2 TYR A 31 -3.812 -6.490 2.552 1.00 0.00 C ATOM 410 CE1 TYR A 31 -3.973 -4.685 4.674 1.00 0.00 C ATOM 411 CE2 TYR A 31 -3.552 -6.909 3.905 1.00 0.00 C ATOM 412 CZ TYR A 31 -3.646 -5.986 4.899 1.00 0.00 C ATOM 413 OH TYR A 31 -3.401 -6.382 6.177 1.00 0.00 O ATOM 0 H TYR A 31 -6.511 -5.679 1.452 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.699 -3.010 1.316 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.492 -5.615 0.215 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.574 -4.148 0.493 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.494 -3.239 3.115 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.746 -7.203 1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.037 -3.982 5.492 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.288 -7.933 4.125 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.181 -7.337 6.187 1.00 0.00 H new ATOM 423 N GLN A 32 -6.138 -4.406 -1.626 1.00 0.00 N ATOM 424 CA GLN A 32 -6.286 -4.120 -3.043 1.00 0.00 C ATOM 425 C GLN A 32 -7.264 -2.961 -3.251 1.00 0.00 C ATOM 426 O GLN A 32 -7.262 -2.325 -4.304 1.00 0.00 O ATOM 427 CB GLN A 32 -6.739 -5.364 -3.809 1.00 0.00 C ATOM 428 CG GLN A 32 -5.722 -5.744 -4.887 1.00 0.00 C ATOM 429 CD GLN A 32 -6.106 -5.143 -6.241 1.00 0.00 C ATOM 430 OE1 GLN A 32 -6.754 -5.767 -7.065 1.00 0.00 O ATOM 431 NE2 GLN A 32 -5.673 -3.899 -6.422 1.00 0.00 N ATOM 0 H GLN A 32 -6.300 -5.380 -1.368 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.314 -3.825 -3.438 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.868 -6.195 -3.116 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.710 -5.179 -4.269 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.732 -5.393 -4.597 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.664 -6.829 -4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.135 -3.435 -5.690 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.879 -3.409 -7.293 1.00 0.00 H new ATOM 440 N GLN A 33 -8.075 -2.723 -2.231 1.00 0.00 N ATOM 441 CA GLN A 33 -9.056 -1.652 -2.289 1.00 0.00 C ATOM 442 C GLN A 33 -8.579 -0.450 -1.471 1.00 0.00 C ATOM 443 O GLN A 33 -8.625 0.685 -1.943 1.00 0.00 O ATOM 444 CB GLN A 33 -10.424 -2.135 -1.807 1.00 0.00 C ATOM 445 CG GLN A 33 -11.140 -2.934 -2.898 1.00 0.00 C ATOM 446 CD GLN A 33 -12.568 -2.425 -3.103 1.00 0.00 C ATOM 447 OE1 GLN A 33 -13.533 -2.991 -2.615 1.00 0.00 O ATOM 448 NE2 GLN A 33 -12.649 -1.328 -3.850 1.00 0.00 N ATOM 0 H GLN A 33 -8.073 -3.253 -1.360 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.163 -1.340 -3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.302 -2.754 -0.918 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.034 -1.279 -1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.585 -2.857 -3.833 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.162 -3.989 -2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.801 -0.905 -4.228 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.559 -0.910 -4.045 1.00 0.00 H new ATOM 457 N ALA A 34 -8.131 -0.741 -0.258 1.00 0.00 N ATOM 458 CA ALA A 34 -7.646 0.302 0.630 1.00 0.00 C ATOM 459 C ALA A 34 -6.523 1.076 -0.064 1.00 0.00 C ATOM 460 O ALA A 34 -6.352 2.271 0.170 1.00 0.00 O ATOM 461 CB ALA A 34 -7.193 -0.323 1.951 1.00 0.00 C ATOM 0 H ALA A 34 -8.094 -1.683 0.130 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.441 1.011 0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.829 0.459 2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.034 -0.836 2.418 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.393 -1.038 1.760 1.00 0.00 H new ATOM 467 N LEU A 35 -5.788 0.363 -0.905 1.00 0.00 N ATOM 468 CA LEU A 35 -4.687 0.968 -1.635 1.00 0.00 C ATOM 469 C LEU A 35 -5.240 1.993 -2.627 1.00 0.00 C ATOM 470 O LEU A 35 -4.864 3.163 -2.590 1.00 0.00 O ATOM 471 CB LEU A 35 -3.818 -0.111 -2.285 1.00 0.00 C ATOM 472 CG LEU A 35 -2.501 0.369 -2.897 1.00 0.00 C ATOM 473 CD1 LEU A 35 -2.752 1.202 -4.156 1.00 0.00 C ATOM 474 CD2 LEU A 35 -1.660 1.125 -1.867 1.00 0.00 C ATOM 0 H LEU A 35 -5.934 -0.628 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.029 1.507 -0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.592 -0.869 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.402 -0.599 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.927 -0.507 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.799 1.531 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.280 0.597 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.356 2.073 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.729 1.455 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.215 1.992 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.435 0.467 -1.027 1.00 0.00 H new ATOM 486 N VAL A 36 -6.125 1.516 -3.490 1.00 0.00 N ATOM 487 CA VAL A 36 -6.734 2.376 -4.490 1.00 0.00 C ATOM 488 C VAL A 36 -7.297 3.624 -3.808 1.00 0.00 C ATOM 489 O VAL A 36 -6.967 4.746 -4.188 1.00 0.00 O ATOM 490 CB VAL A 36 -7.789 1.597 -5.278 1.00 0.00 C ATOM 491 CG1 VAL A 36 -8.337 2.434 -6.436 1.00 0.00 C ATOM 492 CG2 VAL A 36 -7.226 0.266 -5.781 1.00 0.00 C ATOM 0 H VAL A 36 -6.435 0.545 -3.517 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.989 2.709 -5.213 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.616 1.377 -4.603 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -9.085 1.857 -6.980 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.794 3.343 -6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.523 2.699 -7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.996 -0.268 -6.338 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.373 0.455 -6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.908 -0.339 -4.932 1.00 0.00 H new ATOM 502 N CYS A 37 -8.139 3.386 -2.813 1.00 0.00 N ATOM 503 CA CYS A 37 -8.752 4.477 -2.074 1.00 0.00 C ATOM 504 C CYS A 37 -7.641 5.402 -1.573 1.00 0.00 C ATOM 505 O CYS A 37 -7.654 6.601 -1.848 1.00 0.00 O ATOM 506 CB CYS A 37 -9.627 3.964 -0.929 1.00 0.00 C ATOM 507 SG CYS A 37 -10.967 2.908 -1.591 1.00 0.00 S ATOM 0 H CYS A 37 -8.411 2.454 -2.501 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.419 5.035 -2.731 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -9.021 3.397 -0.223 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.052 4.804 -0.380 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.481 1.749 -1.925 1.00 0.00 H new ATOM 513 N TYR A 38 -6.705 4.809 -0.846 1.00 0.00 N ATOM 514 CA TYR A 38 -5.588 5.565 -0.303 1.00 0.00 C ATOM 515 C TYR A 38 -4.942 6.438 -1.381 1.00 0.00 C ATOM 516 O TYR A 38 -4.659 7.612 -1.146 1.00 0.00 O ATOM 517 CB TYR A 38 -4.570 4.528 0.174 1.00 0.00 C ATOM 518 CG TYR A 38 -4.761 4.091 1.628 1.00 0.00 C ATOM 519 CD1 TYR A 38 -5.073 5.026 2.594 1.00 0.00 C ATOM 520 CD2 TYR A 38 -4.621 2.763 1.974 1.00 0.00 C ATOM 521 CE1 TYR A 38 -5.253 4.616 3.962 1.00 0.00 C ATOM 522 CE2 TYR A 38 -4.801 2.352 3.342 1.00 0.00 C ATOM 523 CZ TYR A 38 -5.108 3.299 4.269 1.00 0.00 C ATOM 524 OH TYR A 38 -5.278 2.911 5.561 1.00 0.00 O ATOM 0 H TYR A 38 -6.697 3.814 -0.620 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.923 6.222 0.499 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.632 3.650 -0.469 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.567 4.938 0.058 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.182 6.066 2.323 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.376 2.031 1.218 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.498 5.338 4.727 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.695 1.315 3.626 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.947 1.995 5.674 1.00 0.00 H new ATOM 534 N GLN A 39 -4.728 5.832 -2.539 1.00 0.00 N ATOM 535 CA GLN A 39 -4.121 6.539 -3.653 1.00 0.00 C ATOM 536 C GLN A 39 -4.960 7.764 -4.025 1.00 0.00 C ATOM 537 O GLN A 39 -4.428 8.863 -4.176 1.00 0.00 O ATOM 538 CB GLN A 39 -3.940 5.613 -4.858 1.00 0.00 C ATOM 539 CG GLN A 39 -2.814 4.607 -4.611 1.00 0.00 C ATOM 540 CD GLN A 39 -1.456 5.199 -4.993 1.00 0.00 C ATOM 541 OE1 GLN A 39 -1.161 5.446 -6.151 1.00 0.00 O ATOM 542 NE2 GLN A 39 -0.648 5.411 -3.958 1.00 0.00 N ATOM 0 H GLN A 39 -4.964 4.858 -2.730 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.132 6.879 -3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.871 5.081 -5.056 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.716 6.205 -5.746 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.805 4.316 -3.561 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.996 3.702 -5.191 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.958 5.182 -3.014 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.282 5.803 -4.109 1.00 0.00 H new ATOM 551 N GLU A 40 -6.257 7.534 -4.161 1.00 0.00 N ATOM 552 CA GLU A 40 -7.175 8.604 -4.512 1.00 0.00 C ATOM 553 C GLU A 40 -7.015 9.779 -3.545 1.00 0.00 C ATOM 554 O GLU A 40 -6.890 10.926 -3.971 1.00 0.00 O ATOM 555 CB GLU A 40 -8.620 8.103 -4.533 1.00 0.00 C ATOM 556 CG GLU A 40 -8.717 6.735 -5.210 1.00 0.00 C ATOM 557 CD GLU A 40 -9.800 6.733 -6.291 1.00 0.00 C ATOM 558 OE1 GLU A 40 -10.970 6.494 -5.921 1.00 0.00 O ATOM 559 OE2 GLU A 40 -9.433 6.970 -7.462 1.00 0.00 O ATOM 0 H GLU A 40 -6.695 6.621 -4.034 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.932 8.950 -5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.000 8.036 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.249 8.819 -5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.756 6.476 -5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.941 5.972 -4.465 1.00 0.00 H new ATOM 566 N GLY A 41 -7.024 9.452 -2.261 1.00 0.00 N ATOM 567 CA GLY A 41 -6.881 10.465 -1.229 1.00 0.00 C ATOM 568 C GLY A 41 -5.543 11.195 -1.360 1.00 0.00 C ATOM 569 O GLY A 41 -5.505 12.424 -1.408 1.00 0.00 O ATOM 0 H GLY A 41 -7.128 8.499 -1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.699 11.182 -1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.951 10.000 -0.246 1.00 0.00 H new ATOM 573 N ILE A 42 -4.479 10.409 -1.412 1.00 0.00 N ATOM 574 CA ILE A 42 -3.142 10.965 -1.536 1.00 0.00 C ATOM 575 C ILE A 42 -3.109 11.945 -2.710 1.00 0.00 C ATOM 576 O ILE A 42 -2.731 13.104 -2.545 1.00 0.00 O ATOM 577 CB ILE A 42 -2.103 9.847 -1.639 1.00 0.00 C ATOM 578 CG1 ILE A 42 -1.965 9.102 -0.309 1.00 0.00 C ATOM 579 CG2 ILE A 42 -0.761 10.389 -2.135 1.00 0.00 C ATOM 580 CD1 ILE A 42 -1.960 7.588 -0.527 1.00 0.00 C ATOM 0 H ILE A 42 -4.515 9.390 -1.371 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.880 11.529 -0.641 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.451 9.125 -2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.043 9.405 0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.787 9.375 0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.041 9.574 -2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.891 10.837 -3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.394 11.144 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.861 7.082 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.894 7.286 -1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.122 7.316 -1.169 1.00 0.00 H new ATOM 592 N ASP A 43 -3.510 11.444 -3.869 1.00 0.00 N ATOM 593 CA ASP A 43 -3.531 12.261 -5.071 1.00 0.00 C ATOM 594 C ASP A 43 -4.250 13.579 -4.773 1.00 0.00 C ATOM 595 O ASP A 43 -3.738 14.653 -5.084 1.00 0.00 O ATOM 596 CB ASP A 43 -4.282 11.558 -6.202 1.00 0.00 C ATOM 597 CG ASP A 43 -3.505 11.431 -7.514 1.00 0.00 C ATOM 598 OD1 ASP A 43 -2.733 12.369 -7.809 1.00 0.00 O ATOM 599 OD2 ASP A 43 -3.699 10.399 -8.191 1.00 0.00 O ATOM 0 H ASP A 43 -3.823 10.482 -4.002 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.500 12.436 -5.378 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.563 10.560 -5.866 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.207 12.101 -6.396 1.00 0.00 H new ATOM 604 N MET A 44 -5.425 13.453 -4.175 1.00 0.00 N ATOM 605 CA MET A 44 -6.219 14.621 -3.832 1.00 0.00 C ATOM 606 C MET A 44 -5.450 15.551 -2.893 1.00 0.00 C ATOM 607 O MET A 44 -5.301 16.739 -3.174 1.00 0.00 O ATOM 608 CB MET A 44 -7.519 14.174 -3.159 1.00 0.00 C ATOM 609 CG MET A 44 -8.494 13.589 -4.182 1.00 0.00 C ATOM 610 SD MET A 44 -10.069 13.264 -3.408 1.00 0.00 S ATOM 611 CE MET A 44 -9.973 11.489 -3.241 1.00 0.00 C ATOM 0 H MET A 44 -5.847 12.560 -3.919 1.00 0.00 H new ATOM 0 HA MET A 44 -6.443 15.167 -4.748 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.299 13.429 -2.394 1.00 0.00 H new ATOM 0 HB3 MET A 44 -7.982 15.022 -2.654 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.624 14.284 -5.012 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.087 12.668 -4.599 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.899 11.114 -2.804 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.827 11.039 -4.223 1.00 0.00 H new ATOM 0 HE3 MET A 44 -9.135 11.229 -2.594 1.00 0.00 H new ATOM 621 N LEU A 45 -4.981 14.975 -1.795 1.00 0.00 N ATOM 622 CA LEU A 45 -4.231 15.738 -0.812 1.00 0.00 C ATOM 623 C LEU A 45 -3.071 16.455 -1.506 1.00 0.00 C ATOM 624 O LEU A 45 -2.914 17.667 -1.367 1.00 0.00 O ATOM 625 CB LEU A 45 -3.793 14.837 0.345 1.00 0.00 C ATOM 626 CG LEU A 45 -4.918 14.216 1.175 1.00 0.00 C ATOM 627 CD1 LEU A 45 -4.477 12.886 1.789 1.00 0.00 C ATOM 628 CD2 LEU A 45 -5.422 15.198 2.235 1.00 0.00 C ATOM 0 H LEU A 45 -5.106 13.989 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.861 16.508 -0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.180 14.032 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.156 15.419 1.011 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.755 14.001 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.295 12.466 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.205 12.191 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.616 13.052 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.221 14.732 2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.602 15.466 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.802 16.096 1.748 1.00 0.00 H new ATOM 640 N LEU A 46 -2.289 15.676 -2.238 1.00 0.00 N ATOM 641 CA LEU A 46 -1.148 16.221 -2.955 1.00 0.00 C ATOM 642 C LEU A 46 -1.527 17.578 -3.550 1.00 0.00 C ATOM 643 O LEU A 46 -0.924 18.597 -3.217 1.00 0.00 O ATOM 644 CB LEU A 46 -0.635 15.217 -3.989 1.00 0.00 C ATOM 645 CG LEU A 46 0.570 14.375 -3.565 1.00 0.00 C ATOM 646 CD1 LEU A 46 1.110 13.560 -4.742 1.00 0.00 C ATOM 647 CD2 LEU A 46 1.653 15.249 -2.929 1.00 0.00 C ATOM 0 H LEU A 46 -2.423 14.671 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.316 16.393 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.451 14.543 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.372 15.762 -4.896 1.00 0.00 H new ATOM 0 HG LEU A 46 0.241 13.666 -2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.966 12.970 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.330 12.894 -5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.419 14.235 -5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.498 14.626 -2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.986 15.997 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.248 15.747 -2.048 1.00 0.00 H new ATOM 659 N GLN A 47 -2.526 17.549 -4.421 1.00 0.00 N ATOM 660 CA GLN A 47 -2.992 18.764 -5.067 1.00 0.00 C ATOM 661 C GLN A 47 -3.397 19.800 -4.017 1.00 0.00 C ATOM 662 O GLN A 47 -3.208 20.999 -4.217 1.00 0.00 O ATOM 663 CB GLN A 47 -4.151 18.468 -6.021 1.00 0.00 C ATOM 664 CG GLN A 47 -3.747 17.428 -7.068 1.00 0.00 C ATOM 665 CD GLN A 47 -4.019 17.941 -8.483 1.00 0.00 C ATOM 666 OE1 GLN A 47 -5.139 17.944 -8.966 1.00 0.00 O ATOM 667 NE2 GLN A 47 -2.934 18.375 -9.119 1.00 0.00 N ATOM 0 H GLN A 47 -3.025 16.703 -4.694 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.174 19.175 -5.659 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.009 18.105 -5.455 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.462 19.387 -6.517 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.689 17.191 -6.961 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.300 16.504 -6.900 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.025 18.345 -8.657 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.011 18.738 -10.069 1.00 0.00 H new ATOM 676 N VAL A 48 -3.947 19.301 -2.920 1.00 0.00 N ATOM 677 CA VAL A 48 -4.381 20.169 -1.838 1.00 0.00 C ATOM 678 C VAL A 48 -3.156 20.809 -1.181 1.00 0.00 C ATOM 679 O VAL A 48 -2.987 22.026 -1.228 1.00 0.00 O ATOM 680 CB VAL A 48 -5.246 19.382 -0.851 1.00 0.00 C ATOM 681 CG1 VAL A 48 -5.816 20.301 0.231 1.00 0.00 C ATOM 682 CG2 VAL A 48 -6.363 18.632 -1.578 1.00 0.00 C ATOM 0 H VAL A 48 -4.102 18.306 -2.757 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.003 20.977 -2.223 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.610 18.644 -0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.427 19.717 0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.998 20.769 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.430 21.073 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.963 18.081 -0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.996 19.345 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.927 17.935 -2.293 1.00 0.00 H new ATOM 692 N LEU A 49 -2.333 19.960 -0.584 1.00 0.00 N ATOM 693 CA LEU A 49 -1.128 20.427 0.081 1.00 0.00 C ATOM 694 C LEU A 49 -0.399 21.416 -0.830 1.00 0.00 C ATOM 695 O LEU A 49 -0.107 22.540 -0.424 1.00 0.00 O ATOM 696 CB LEU A 49 -0.265 19.243 0.520 1.00 0.00 C ATOM 697 CG LEU A 49 1.067 19.595 1.186 1.00 0.00 C ATOM 698 CD1 LEU A 49 2.213 19.560 0.172 1.00 0.00 C ATOM 699 CD2 LEU A 49 0.981 20.942 1.906 1.00 0.00 C ATOM 0 H LEU A 49 -2.477 18.951 -0.547 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.381 20.963 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.845 18.633 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.060 18.625 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 49 1.281 18.839 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.148 19.814 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.290 18.560 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.018 20.281 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.941 21.168 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.732 21.723 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.208 20.896 2.673 1.00 0.00 H new ATOM 835 N ARG A 58 0.065 22.372 5.870 1.00 0.00 N ATOM 836 CA ARG A 58 1.099 21.702 5.101 1.00 0.00 C ATOM 837 C ARG A 58 1.798 20.645 5.958 1.00 0.00 C ATOM 838 O ARG A 58 1.970 19.505 5.527 1.00 0.00 O ATOM 839 CB ARG A 58 2.139 22.701 4.587 1.00 0.00 C ATOM 840 CG ARG A 58 1.598 23.490 3.394 1.00 0.00 C ATOM 841 CD ARG A 58 1.857 24.989 3.564 1.00 0.00 C ATOM 842 NE ARG A 58 3.247 25.213 4.021 1.00 0.00 N ATOM 843 CZ ARG A 58 4.299 25.329 3.199 1.00 0.00 C ATOM 844 NH1 ARG A 58 4.125 25.243 1.873 1.00 0.00 N ATOM 845 NH2 ARG A 58 5.524 25.531 3.702 1.00 0.00 N ATOM 0 HA ARG A 58 0.619 21.223 4.248 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.415 23.388 5.387 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.045 22.170 4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.070 23.138 2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.528 23.312 3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.688 25.505 2.619 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.156 25.408 4.286 1.00 0.00 H new ATOM 0 HE ARG A 58 3.415 25.283 5.025 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.192 25.089 1.490 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.925 25.331 1.247 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.656 25.597 4.711 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.324 25.619 3.076 1.00 0.00 H new ATOM 859 N CYS A 59 2.183 21.059 7.156 1.00 0.00 N ATOM 860 CA CYS A 59 2.859 20.162 8.077 1.00 0.00 C ATOM 861 C CYS A 59 2.005 18.903 8.235 1.00 0.00 C ATOM 862 O CYS A 59 2.482 17.792 8.010 1.00 0.00 O ATOM 863 CB CYS A 59 3.137 20.836 9.422 1.00 0.00 C ATOM 864 SG CYS A 59 4.652 20.136 10.172 1.00 0.00 S ATOM 0 H CYS A 59 2.039 22.005 7.510 1.00 0.00 H new ATOM 0 HA CYS A 59 3.834 19.890 7.673 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.254 21.911 9.282 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.290 20.692 10.092 1.00 0.00 H new ATOM 0 HG CYS A 59 4.880 20.717 11.312 1.00 0.00 H new ATOM 870 N VAL A 60 0.756 19.119 8.622 1.00 0.00 N ATOM 871 CA VAL A 60 -0.170 18.015 8.813 1.00 0.00 C ATOM 872 C VAL A 60 -0.368 17.285 7.483 1.00 0.00 C ATOM 873 O VAL A 60 -0.144 16.079 7.392 1.00 0.00 O ATOM 874 CB VAL A 60 -1.479 18.528 9.415 1.00 0.00 C ATOM 875 CG1 VAL A 60 -2.527 17.415 9.478 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.244 19.139 10.798 1.00 0.00 C ATOM 0 H VAL A 60 0.364 20.042 8.808 1.00 0.00 H new ATOM 0 HA VAL A 60 0.237 17.294 9.522 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.863 19.313 8.763 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.448 17.806 9.910 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.726 17.046 8.472 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.154 16.599 10.097 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.191 19.496 11.204 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.826 18.384 11.463 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.548 19.973 10.714 1.00 0.00 H new ATOM 886 N LEU A 61 -0.787 18.048 6.483 1.00 0.00 N ATOM 887 CA LEU A 61 -1.019 17.489 5.162 1.00 0.00 C ATOM 888 C LEU A 61 0.155 16.585 4.783 1.00 0.00 C ATOM 889 O LEU A 61 -0.009 15.374 4.645 1.00 0.00 O ATOM 890 CB LEU A 61 -1.290 18.604 4.149 1.00 0.00 C ATOM 891 CG LEU A 61 -2.742 19.071 4.038 1.00 0.00 C ATOM 892 CD1 LEU A 61 -2.838 20.385 3.261 1.00 0.00 C ATOM 893 CD2 LEU A 61 -3.624 17.979 3.428 1.00 0.00 C ATOM 0 H LEU A 61 -0.972 19.048 6.562 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.914 16.866 5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.672 19.463 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.963 18.263 3.167 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.116 19.264 5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.881 20.694 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.262 21.155 3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.439 20.244 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.651 18.337 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.259 17.732 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.590 17.090 4.058 1.00 0.00 H new ATOM 905 N ARG A 62 1.314 17.208 4.624 1.00 0.00 N ATOM 906 CA ARG A 62 2.515 16.475 4.263 1.00 0.00 C ATOM 907 C ARG A 62 2.665 15.235 5.147 1.00 0.00 C ATOM 908 O ARG A 62 3.191 14.214 4.706 1.00 0.00 O ATOM 909 CB ARG A 62 3.760 17.351 4.409 1.00 0.00 C ATOM 910 CG ARG A 62 3.939 18.257 3.189 1.00 0.00 C ATOM 911 CD ARG A 62 5.135 19.194 3.372 1.00 0.00 C ATOM 912 NE ARG A 62 5.592 19.694 2.057 1.00 0.00 N ATOM 913 CZ ARG A 62 6.419 20.737 1.896 1.00 0.00 C ATOM 914 NH1 ARG A 62 6.884 21.395 2.966 1.00 0.00 N ATOM 915 NH2 ARG A 62 6.780 21.121 0.664 1.00 0.00 N ATOM 0 H ARG A 62 1.446 18.213 4.739 1.00 0.00 H new ATOM 0 HA ARG A 62 2.418 16.173 3.220 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.677 17.960 5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.641 16.720 4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.083 17.647 2.297 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.034 18.843 3.031 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.857 20.031 4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.947 18.667 3.872 1.00 0.00 H new ATOM 0 HE ARG A 62 5.257 19.216 1.221 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.609 21.103 3.904 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.513 22.188 2.843 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.426 20.620 -0.151 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.409 21.914 0.541 1.00 0.00 H new ATOM 929 N THR A 63 2.195 15.365 6.378 1.00 0.00 N ATOM 930 CA THR A 63 2.271 14.268 7.328 1.00 0.00 C ATOM 931 C THR A 63 1.197 13.222 7.021 1.00 0.00 C ATOM 932 O THR A 63 1.398 12.032 7.261 1.00 0.00 O ATOM 933 CB THR A 63 2.163 14.854 8.737 1.00 0.00 C ATOM 934 OG1 THR A 63 3.517 15.052 9.135 1.00 0.00 O ATOM 935 CG2 THR A 63 1.621 13.845 9.751 1.00 0.00 C ATOM 0 H THR A 63 1.760 16.213 6.740 1.00 0.00 H new ATOM 0 HA THR A 63 3.223 13.743 7.251 1.00 0.00 H new ATOM 0 HB THR A 63 1.516 15.731 8.717 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.540 15.432 10.038 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.564 14.312 10.734 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.626 13.521 9.446 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.286 12.982 9.797 1.00 0.00 H new ATOM 943 N LYS A 64 0.080 13.703 6.497 1.00 0.00 N ATOM 944 CA LYS A 64 -1.026 12.825 6.155 1.00 0.00 C ATOM 945 C LYS A 64 -0.720 12.118 4.833 1.00 0.00 C ATOM 946 O LYS A 64 -0.742 10.890 4.762 1.00 0.00 O ATOM 947 CB LYS A 64 -2.344 13.601 6.147 1.00 0.00 C ATOM 948 CG LYS A 64 -3.177 13.282 7.390 1.00 0.00 C ATOM 949 CD LYS A 64 -4.592 13.851 7.264 1.00 0.00 C ATOM 950 CE LYS A 64 -4.651 15.292 7.774 1.00 0.00 C ATOM 951 NZ LYS A 64 -4.324 16.241 6.687 1.00 0.00 N ATOM 0 H LYS A 64 -0.083 14.690 6.301 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.145 12.050 6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.140 14.671 6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.912 13.351 5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.227 12.202 7.531 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.692 13.697 8.273 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.910 13.817 6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.288 13.232 7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.646 15.505 8.164 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.951 15.421 8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.786 17.154 6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.294 16.377 6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.662 15.860 5.780 1.00 0.00 H new ATOM 965 N ILE A 65 -0.443 12.923 3.818 1.00 0.00 N ATOM 966 CA ILE A 65 -0.133 12.390 2.503 1.00 0.00 C ATOM 967 C ILE A 65 0.864 11.238 2.646 1.00 0.00 C ATOM 968 O ILE A 65 0.530 10.086 2.372 1.00 0.00 O ATOM 969 CB ILE A 65 0.346 13.506 1.572 1.00 0.00 C ATOM 970 CG1 ILE A 65 -0.836 14.300 1.013 1.00 0.00 C ATOM 971 CG2 ILE A 65 1.238 12.948 0.460 1.00 0.00 C ATOM 972 CD1 ILE A 65 -0.492 15.786 0.895 1.00 0.00 C ATOM 0 H ILE A 65 -0.427 13.941 3.880 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.029 11.980 2.037 1.00 0.00 H new ATOM 0 HB ILE A 65 0.953 14.199 2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.111 13.908 0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.703 14.174 1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.565 13.762 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.109 12.463 0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.676 12.221 -0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.349 16.327 0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.241 16.181 1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.360 15.910 0.226 1.00 0.00 H new ATOM 984 N SER A 66 2.068 11.589 3.074 1.00 0.00 N ATOM 985 CA SER A 66 3.115 10.598 3.256 1.00 0.00 C ATOM 986 C SER A 66 2.593 9.434 4.101 1.00 0.00 C ATOM 987 O SER A 66 2.830 8.272 3.776 1.00 0.00 O ATOM 988 CB SER A 66 4.350 11.218 3.912 1.00 0.00 C ATOM 989 OG SER A 66 5.141 10.244 4.588 1.00 0.00 O ATOM 0 H SER A 66 2.342 12.545 3.300 1.00 0.00 H new ATOM 0 HA SER A 66 3.407 10.224 2.275 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.955 11.712 3.152 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.038 11.986 4.620 1.00 0.00 H new ATOM 0 HG SER A 66 5.921 10.679 4.992 1.00 0.00 H new ATOM 995 N GLY A 67 1.892 9.788 5.169 1.00 0.00 N ATOM 996 CA GLY A 67 1.334 8.787 6.062 1.00 0.00 C ATOM 997 C GLY A 67 0.475 7.782 5.293 1.00 0.00 C ATOM 998 O GLY A 67 0.466 6.594 5.612 1.00 0.00 O ATOM 0 H GLY A 67 1.698 10.753 5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.140 8.263 6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.731 9.274 6.828 1.00 0.00 H new ATOM 1002 N TYR A 68 -0.227 8.296 4.293 1.00 0.00 N ATOM 1003 CA TYR A 68 -1.088 7.459 3.476 1.00 0.00 C ATOM 1004 C TYR A 68 -0.309 6.842 2.312 1.00 0.00 C ATOM 1005 O TYR A 68 -0.818 5.966 1.615 1.00 0.00 O ATOM 1006 CB TYR A 68 -2.169 8.386 2.915 1.00 0.00 C ATOM 1007 CG TYR A 68 -3.143 8.915 3.970 1.00 0.00 C ATOM 1008 CD1 TYR A 68 -3.922 8.035 4.694 1.00 0.00 C ATOM 1009 CD2 TYR A 68 -3.243 10.273 4.198 1.00 0.00 C ATOM 1010 CE1 TYR A 68 -4.838 8.533 5.687 1.00 0.00 C ATOM 1011 CE2 TYR A 68 -4.159 10.771 5.191 1.00 0.00 C ATOM 1012 CZ TYR A 68 -4.912 9.877 5.886 1.00 0.00 C ATOM 1013 OH TYR A 68 -5.777 10.347 6.823 1.00 0.00 O ATOM 0 H TYR A 68 -0.217 9.282 4.031 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.503 6.643 4.068 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.689 9.231 2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.732 7.850 2.151 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.844 6.973 4.516 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.634 10.962 3.631 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.452 7.855 6.261 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.246 11.831 5.380 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.722 11.325 6.857 1.00 0.00 H new ATOM 1023 N MET A 69 0.913 7.324 2.139 1.00 0.00 N ATOM 1024 CA MET A 69 1.768 6.831 1.073 1.00 0.00 C ATOM 1025 C MET A 69 2.554 5.599 1.525 1.00 0.00 C ATOM 1026 O MET A 69 2.620 4.602 0.808 1.00 0.00 O ATOM 1027 CB MET A 69 2.742 7.932 0.649 1.00 0.00 C ATOM 1028 CG MET A 69 2.021 9.029 -0.137 1.00 0.00 C ATOM 1029 SD MET A 69 3.100 9.689 -1.396 1.00 0.00 S ATOM 1030 CE MET A 69 2.663 8.630 -2.765 1.00 0.00 C ATOM 0 H MET A 69 1.331 8.051 2.719 1.00 0.00 H new ATOM 0 HA MET A 69 1.138 6.547 0.230 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.216 8.363 1.531 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.537 7.504 0.038 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.118 8.626 -0.595 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.707 9.825 0.538 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.554 8.408 -3.352 1.00 0.00 H new ATOM 0 HE2 MET A 69 2.239 7.701 -2.385 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.929 9.133 -3.395 1.00 0.00 H new ATOM 1040 N ASP A 70 3.131 5.709 2.713 1.00 0.00 N ATOM 1041 CA ASP A 70 3.911 4.616 3.270 1.00 0.00 C ATOM 1042 C ASP A 70 3.032 3.368 3.370 1.00 0.00 C ATOM 1043 O ASP A 70 3.455 2.275 2.995 1.00 0.00 O ATOM 1044 CB ASP A 70 4.410 4.957 4.675 1.00 0.00 C ATOM 1045 CG ASP A 70 5.468 4.003 5.234 1.00 0.00 C ATOM 1046 OD1 ASP A 70 5.633 2.921 4.630 1.00 0.00 O ATOM 1047 OD2 ASP A 70 6.089 4.377 6.252 1.00 0.00 O ATOM 0 H ASP A 70 3.074 6.538 3.305 1.00 0.00 H new ATOM 0 HA ASP A 70 4.766 4.443 2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.822 5.966 4.663 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.558 4.969 5.354 1.00 0.00 H new ATOM 1052 N ARG A 71 1.825 3.571 3.877 1.00 0.00 N ATOM 1053 CA ARG A 71 0.884 2.475 4.031 1.00 0.00 C ATOM 1054 C ARG A 71 0.493 1.915 2.662 1.00 0.00 C ATOM 1055 O ARG A 71 0.561 0.707 2.439 1.00 0.00 O ATOM 1056 CB ARG A 71 -0.378 2.932 4.766 1.00 0.00 C ATOM 1057 CG ARG A 71 -1.318 1.754 5.027 1.00 0.00 C ATOM 1058 CD ARG A 71 -0.545 0.540 5.547 1.00 0.00 C ATOM 1059 NE ARG A 71 -1.449 -0.346 6.313 1.00 0.00 N ATOM 1060 CZ ARG A 71 -1.752 -0.174 7.606 1.00 0.00 C ATOM 1061 NH1 ARG A 71 -1.224 0.853 8.287 1.00 0.00 N ATOM 1062 NH2 ARG A 71 -2.582 -1.028 8.220 1.00 0.00 N ATOM 0 H ARG A 71 1.477 4.479 4.186 1.00 0.00 H new ATOM 0 HA ARG A 71 1.373 1.698 4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.103 3.399 5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.893 3.689 4.175 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.077 2.044 5.753 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.840 1.490 4.107 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.107 -0.007 4.712 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.279 0.868 6.181 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.868 -1.138 5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.592 1.503 7.820 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.455 0.984 9.272 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.984 -1.810 7.703 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.812 -0.896 9.205 1.00 0.00 H new ATOM 1076 N ALA A 72 0.092 2.819 1.781 1.00 0.00 N ATOM 1077 CA ALA A 72 -0.310 2.430 0.439 1.00 0.00 C ATOM 1078 C ALA A 72 0.837 1.671 -0.231 1.00 0.00 C ATOM 1079 O ALA A 72 0.645 0.560 -0.725 1.00 0.00 O ATOM 1080 CB ALA A 72 -0.726 3.673 -0.350 1.00 0.00 C ATOM 0 H ALA A 72 0.037 3.820 1.970 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.171 1.763 0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.027 3.381 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.562 4.160 0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.114 4.365 -0.409 1.00 0.00 H new ATOM 1086 N GLU A 73 2.003 2.300 -0.228 1.00 0.00 N ATOM 1087 CA GLU A 73 3.180 1.697 -0.831 1.00 0.00 C ATOM 1088 C GLU A 73 3.334 0.249 -0.360 1.00 0.00 C ATOM 1089 O GLU A 73 3.182 -0.683 -1.148 1.00 0.00 O ATOM 1090 CB GLU A 73 4.435 2.513 -0.516 1.00 0.00 C ATOM 1091 CG GLU A 73 4.715 3.535 -1.619 1.00 0.00 C ATOM 1092 CD GLU A 73 6.216 3.799 -1.754 1.00 0.00 C ATOM 1093 OE1 GLU A 73 6.939 2.826 -2.060 1.00 0.00 O ATOM 1094 OE2 GLU A 73 6.608 4.969 -1.548 1.00 0.00 O ATOM 0 H GLU A 73 2.158 3.221 0.182 1.00 0.00 H new ATOM 0 HA GLU A 73 3.050 1.694 -1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.310 3.026 0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.290 1.845 -0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.320 3.170 -2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.197 4.468 -1.396 1.00 0.00 H new ATOM 1101 N ASN A 74 3.635 0.106 0.922 1.00 0.00 N ATOM 1102 CA ASN A 74 3.812 -1.212 1.507 1.00 0.00 C ATOM 1103 C ASN A 74 2.765 -2.166 0.929 1.00 0.00 C ATOM 1104 O ASN A 74 3.081 -3.303 0.581 1.00 0.00 O ATOM 1105 CB ASN A 74 3.627 -1.170 3.025 1.00 0.00 C ATOM 1106 CG ASN A 74 4.885 -1.662 3.745 1.00 0.00 C ATOM 1107 OD1 ASN A 74 5.063 -2.840 4.004 1.00 0.00 O ATOM 1108 ND2 ASN A 74 5.745 -0.694 4.051 1.00 0.00 N ATOM 0 H ASN A 74 3.761 0.882 1.572 1.00 0.00 H new ATOM 0 HA ASN A 74 4.822 -1.551 1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.399 -0.151 3.339 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.776 -1.789 3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.616 -0.919 4.532 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.533 0.273 3.805 1.00 0.00 H new ATOM 1115 N ILE A 75 1.540 -1.669 0.846 1.00 0.00 N ATOM 1116 CA ILE A 75 0.444 -2.463 0.316 1.00 0.00 C ATOM 1117 C ILE A 75 0.706 -2.764 -1.161 1.00 0.00 C ATOM 1118 O ILE A 75 0.756 -3.926 -1.562 1.00 0.00 O ATOM 1119 CB ILE A 75 -0.894 -1.769 0.574 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -1.336 -1.954 2.028 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -1.960 -2.247 -0.414 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -2.575 -1.109 2.336 1.00 0.00 C ATOM 0 H ILE A 75 1.282 -0.726 1.137 1.00 0.00 H new ATOM 0 HA ILE A 75 0.384 -3.422 0.831 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.761 -0.700 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.553 -3.006 2.215 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.523 -1.672 2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.901 -1.738 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.640 -2.022 -1.431 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.099 -3.323 -0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.868 -1.259 3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.347 -0.056 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.393 -1.410 1.681 1.00 0.00 H new ATOM 1134 N LYS A 76 0.866 -1.697 -1.930 1.00 0.00 N ATOM 1135 CA LYS A 76 1.122 -1.833 -3.354 1.00 0.00 C ATOM 1136 C LYS A 76 2.255 -2.837 -3.571 1.00 0.00 C ATOM 1137 O LYS A 76 2.117 -3.775 -4.355 1.00 0.00 O ATOM 1138 CB LYS A 76 1.384 -0.464 -3.984 1.00 0.00 C ATOM 1139 CG LYS A 76 0.162 0.024 -4.765 1.00 0.00 C ATOM 1140 CD LYS A 76 0.576 0.642 -6.102 1.00 0.00 C ATOM 1141 CE LYS A 76 1.602 1.759 -5.895 1.00 0.00 C ATOM 1142 NZ LYS A 76 2.571 1.786 -7.013 1.00 0.00 N ATOM 0 H LYS A 76 0.823 -0.735 -1.594 1.00 0.00 H new ATOM 0 HA LYS A 76 0.243 -2.229 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.634 0.257 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.245 -0.525 -4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.518 -0.809 -4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.382 0.760 -4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.997 -0.128 -6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.302 1.040 -6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.093 2.720 -5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.129 1.607 -4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.260 2.549 -6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.069 0.875 -7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.066 1.953 -7.906 1.00 0.00 H new ATOM 1156 N LYS A 77 3.351 -2.607 -2.863 1.00 0.00 N ATOM 1157 CA LYS A 77 4.508 -3.480 -2.969 1.00 0.00 C ATOM 1158 C LYS A 77 4.082 -4.920 -2.677 1.00 0.00 C ATOM 1159 O LYS A 77 4.698 -5.865 -3.169 1.00 0.00 O ATOM 1160 CB LYS A 77 5.640 -2.979 -2.070 1.00 0.00 C ATOM 1161 CG LYS A 77 6.462 -1.898 -2.775 1.00 0.00 C ATOM 1162 CD LYS A 77 5.777 -0.534 -2.671 1.00 0.00 C ATOM 1163 CE LYS A 77 4.739 -0.356 -3.781 1.00 0.00 C ATOM 1164 NZ LYS A 77 5.038 0.854 -4.580 1.00 0.00 N ATOM 0 H LYS A 77 3.462 -1.828 -2.213 1.00 0.00 H new ATOM 0 HA LYS A 77 4.907 -3.464 -3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.225 -2.580 -1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.287 -3.812 -1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.456 -1.845 -2.331 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.595 -2.163 -3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.295 -0.439 -1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.523 0.258 -2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.734 -1.234 -4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.743 -0.275 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.324 0.960 -5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.020 1.691 -3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.980 0.762 -5.010 1.00 0.00 H new ATOM 1178 N TYR A 78 3.032 -5.043 -1.879 1.00 0.00 N ATOM 1179 CA TYR A 78 2.518 -6.353 -1.516 1.00 0.00 C ATOM 1180 C TYR A 78 1.434 -6.807 -2.496 1.00 0.00 C ATOM 1181 O TYR A 78 1.178 -8.002 -2.634 1.00 0.00 O ATOM 1182 CB TYR A 78 1.897 -6.192 -0.127 1.00 0.00 C ATOM 1183 CG TYR A 78 0.646 -7.043 0.098 1.00 0.00 C ATOM 1184 CD1 TYR A 78 0.769 -8.368 0.465 1.00 0.00 C ATOM 1185 CD2 TYR A 78 -0.606 -6.487 -0.065 1.00 0.00 C ATOM 1186 CE1 TYR A 78 -0.408 -9.169 0.677 1.00 0.00 C ATOM 1187 CE2 TYR A 78 -1.784 -7.288 0.146 1.00 0.00 C ATOM 1188 CZ TYR A 78 -1.627 -8.590 0.507 1.00 0.00 C ATOM 1189 OH TYR A 78 -2.739 -9.347 0.707 1.00 0.00 O ATOM 0 H TYR A 78 2.523 -4.258 -1.474 1.00 0.00 H new ATOM 0 HA TYR A 78 3.315 -7.097 -1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.642 -6.453 0.625 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.643 -5.143 0.027 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.749 -8.804 0.593 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.703 -5.450 -0.351 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.325 -10.207 0.965 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.770 -6.865 0.020 1.00 0.00 H new ATOM 0 HH TYR A 78 -3.538 -8.802 0.551 1.00 0.00 H new ATOM 1199 N LEU A 79 0.827 -5.829 -3.152 1.00 0.00 N ATOM 1200 CA LEU A 79 -0.223 -6.113 -4.115 1.00 0.00 C ATOM 1201 C LEU A 79 0.410 -6.501 -5.453 1.00 0.00 C ATOM 1202 O LEU A 79 -0.102 -7.371 -6.156 1.00 0.00 O ATOM 1203 CB LEU A 79 -1.194 -4.934 -4.213 1.00 0.00 C ATOM 1204 CG LEU A 79 -2.005 -4.626 -2.953 1.00 0.00 C ATOM 1205 CD1 LEU A 79 -2.892 -3.397 -3.158 1.00 0.00 C ATOM 1206 CD2 LEU A 79 -2.812 -5.848 -2.509 1.00 0.00 C ATOM 0 H LEU A 79 1.042 -4.839 -3.035 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.822 -6.962 -3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.627 -4.043 -4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.889 -5.128 -5.030 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.309 -4.389 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.458 -3.200 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.269 -2.534 -3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.582 -3.580 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.380 -5.603 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.498 -6.139 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.134 -6.674 -2.295 1.00 0.00 H new