USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 479 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 31 THR OG1 : rot -170:sc= 0.0116 USER MOD Set 1.2: A 37 GLN : amide:sc= -6! C(o=-6!,f=-10!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00425 USER MOD Single : A 17 HIS : no HD1:sc= -0.153 X(o=-0.15,f=0.00071) USER MOD Single : A 22 ASN : amide:sc= -1.11 K(o=-1.1,f=-10!) USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.112) USER MOD Single : A 25 HIS : no HD1:sc= -0.627 X(o=-0.63,f=-0.23) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.31 K(o=-0.31,f=-1.1) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -4.29! C(o=-4.3!,f=-8.4!) USER MOD Single : A 46 ASN : amide:sc= -0.998 X(o=-1,f=-1.2!) USER MOD Single : A 48 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.23) USER MOD Single : A 54 LYS NZ :NH3+ 153:sc= -0.163 (180deg=-0.891) USER MOD Single : A 56 LYS NZ :NH3+ 179:sc= 0 (180deg=-6.41e-05) USER MOD Single : A 59 GLN :FLIP amide:sc= 0.0849 F(o=-0.64,f=0.085) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N PRO A 10 -7.004 -7.549 -5.035 1.00 0.00 N ATOM 152 CA PRO A 10 -5.601 -7.919 -5.308 1.00 0.00 C ATOM 153 C PRO A 10 -4.748 -7.955 -4.044 1.00 0.00 C ATOM 154 O PRO A 10 -4.008 -8.908 -3.803 1.00 0.00 O ATOM 155 CB PRO A 10 -5.139 -6.804 -6.237 1.00 0.00 C ATOM 156 CG PRO A 10 -6.032 -5.600 -5.970 1.00 0.00 C ATOM 157 CD PRO A 10 -7.273 -6.102 -5.225 1.00 0.00 C ATOM 0 HA PRO A 10 -5.509 -8.920 -5.729 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.094 -6.557 -6.052 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.213 -7.115 -7.279 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.503 -4.855 -5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.316 -5.118 -6.906 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.403 -5.590 -4.272 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.182 -5.936 -5.803 1.00 0.00 H new ATOM 165 N CYS A 11 -4.863 -6.902 -3.244 1.00 0.00 N ATOM 166 CA CYS A 11 -4.100 -6.813 -2.003 1.00 0.00 C ATOM 167 C CYS A 11 -4.621 -7.816 -0.982 1.00 0.00 C ATOM 168 O CYS A 11 -5.805 -8.154 -0.960 1.00 0.00 O ATOM 169 CB CYS A 11 -4.197 -5.406 -1.408 1.00 0.00 C ATOM 170 SG CYS A 11 -2.976 -4.326 -2.198 1.00 0.00 S ATOM 0 H CYS A 11 -5.471 -6.104 -3.429 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.059 -7.037 -2.237 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.200 -5.006 -1.556 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.023 -5.442 -0.333 1.00 0.00 H new ATOM 175 N ARG A 12 -3.715 -8.280 -0.132 1.00 0.00 N ATOM 176 CA ARG A 12 -4.066 -9.246 0.908 1.00 0.00 C ATOM 177 C ARG A 12 -3.364 -8.885 2.212 1.00 0.00 C ATOM 178 O ARG A 12 -3.977 -8.858 3.280 1.00 0.00 O ATOM 179 CB ARG A 12 -3.671 -10.669 0.496 1.00 0.00 C ATOM 180 CG ARG A 12 -2.233 -10.684 -0.028 1.00 0.00 C ATOM 181 CD ARG A 12 -1.959 -12.014 -0.735 1.00 0.00 C ATOM 182 NE ARG A 12 -0.575 -12.432 -0.526 1.00 0.00 N ATOM 183 CZ ARG A 12 -0.253 -13.720 -0.455 1.00 0.00 C ATOM 184 NH1 ARG A 12 -0.624 -14.429 0.575 1.00 0.00 N ATOM 185 NH2 ARG A 12 0.436 -14.274 -1.415 1.00 0.00 N ATOM 0 H ARG A 12 -2.733 -8.006 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.146 -9.211 1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.763 -11.342 1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.351 -11.035 -0.273 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.078 -9.855 -0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.533 -10.548 0.796 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.637 -12.779 -0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.157 -11.912 -1.802 1.00 0.00 H new ATOM 0 HE ARG A 12 0.155 -11.726 -0.433 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.161 -13.995 1.326 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.377 -15.417 0.630 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.727 -13.719 -2.220 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.683 -15.262 -1.361 1.00 0.00 H new ATOM 199 N PHE A 13 -2.072 -8.592 2.108 1.00 0.00 N ATOM 200 CA PHE A 13 -1.285 -8.213 3.276 1.00 0.00 C ATOM 201 C PHE A 13 -0.645 -6.852 3.039 1.00 0.00 C ATOM 202 O PHE A 13 -0.290 -6.506 1.913 1.00 0.00 O ATOM 203 CB PHE A 13 -0.187 -9.240 3.552 1.00 0.00 C ATOM 204 CG PHE A 13 -0.801 -10.488 4.144 1.00 0.00 C ATOM 205 CD1 PHE A 13 -1.163 -10.516 5.495 1.00 0.00 C ATOM 206 CD2 PHE A 13 -1.005 -11.616 3.340 1.00 0.00 C ATOM 207 CE1 PHE A 13 -1.731 -11.672 6.043 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.572 -12.773 3.889 1.00 0.00 C ATOM 209 CZ PHE A 13 -1.936 -12.800 5.241 1.00 0.00 C ATOM 0 H PHE A 13 -1.550 -8.609 1.232 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.951 -8.171 4.138 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.338 -9.483 2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.551 -8.824 4.238 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.004 -9.646 6.115 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.725 -11.594 2.297 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.011 -11.693 7.086 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.728 -13.644 3.270 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.375 -13.691 5.665 1.00 0.00 H new ATOM 219 N PHE A 14 -0.513 -6.074 4.108 1.00 0.00 N ATOM 220 CA PHE A 14 0.073 -4.743 3.991 1.00 0.00 C ATOM 221 C PHE A 14 1.348 -4.624 4.810 1.00 0.00 C ATOM 222 O PHE A 14 1.399 -5.015 5.976 1.00 0.00 O ATOM 223 CB PHE A 14 -0.912 -3.679 4.467 1.00 0.00 C ATOM 224 CG PHE A 14 -1.932 -3.435 3.390 1.00 0.00 C ATOM 225 CD1 PHE A 14 -2.764 -4.474 2.960 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.038 -2.170 2.816 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.705 -4.241 1.951 1.00 0.00 C ATOM 228 CE2 PHE A 14 -2.976 -1.933 1.809 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.811 -2.969 1.374 1.00 0.00 C ATOM 0 H PHE A 14 -0.799 -6.336 5.051 1.00 0.00 H new ATOM 0 HA PHE A 14 0.309 -4.588 2.938 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.404 -4.005 5.383 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.383 -2.755 4.700 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.680 -5.454 3.406 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.393 -1.371 3.151 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.349 -5.041 1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.057 -0.951 1.366 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.536 -2.788 0.594 1.00 0.00 H new ATOM 239 N GLU A 15 2.376 -4.063 4.183 1.00 0.00 N ATOM 240 CA GLU A 15 3.654 -3.872 4.859 1.00 0.00 C ATOM 241 C GLU A 15 3.790 -2.419 5.313 1.00 0.00 C ATOM 242 O GLU A 15 4.498 -1.621 4.699 1.00 0.00 O ATOM 243 CB GLU A 15 4.813 -4.222 3.922 1.00 0.00 C ATOM 244 CG GLU A 15 6.082 -4.457 4.744 1.00 0.00 C ATOM 245 CD GLU A 15 5.976 -5.789 5.478 1.00 0.00 C ATOM 246 OE1 GLU A 15 6.146 -6.813 4.834 1.00 0.00 O ATOM 247 OE2 GLU A 15 5.726 -5.768 6.672 1.00 0.00 O ATOM 0 H GLU A 15 2.351 -3.735 3.217 1.00 0.00 H new ATOM 0 HA GLU A 15 3.688 -4.531 5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.571 -5.114 3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.974 -3.414 3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.955 -4.458 4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.220 -3.646 5.459 1.00 0.00 H new ATOM 254 N SER A 16 3.091 -2.083 6.397 1.00 0.00 N ATOM 255 CA SER A 16 3.127 -0.721 6.930 1.00 0.00 C ATOM 256 C SER A 16 4.550 -0.322 7.311 1.00 0.00 C ATOM 257 O SER A 16 4.906 0.854 7.278 1.00 0.00 O ATOM 258 CB SER A 16 2.229 -0.602 8.161 1.00 0.00 C ATOM 259 OG SER A 16 2.470 -1.703 9.028 1.00 0.00 O ATOM 0 H SER A 16 2.498 -2.728 6.919 1.00 0.00 H new ATOM 0 HA SER A 16 2.765 -0.052 6.149 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.428 0.335 8.681 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.181 -0.584 7.861 1.00 0.00 H new ATOM 0 HG SER A 16 1.896 -1.628 9.819 1.00 0.00 H new ATOM 265 N HIS A 17 5.364 -1.312 7.672 1.00 0.00 N ATOM 266 CA HIS A 17 6.752 -1.044 8.053 1.00 0.00 C ATOM 267 C HIS A 17 7.511 -0.341 6.922 1.00 0.00 C ATOM 268 O HIS A 17 8.535 0.301 7.154 1.00 0.00 O ATOM 269 CB HIS A 17 7.474 -2.348 8.396 1.00 0.00 C ATOM 270 CG HIS A 17 8.564 -2.070 9.394 1.00 0.00 C ATOM 271 ND1 HIS A 17 8.493 -2.504 10.708 1.00 0.00 N ATOM 272 CD2 HIS A 17 9.758 -1.400 9.284 1.00 0.00 C ATOM 273 CE1 HIS A 17 9.613 -2.095 11.331 1.00 0.00 C ATOM 274 NE2 HIS A 17 10.419 -1.419 10.508 1.00 0.00 N ATOM 0 H HIS A 17 5.093 -2.295 7.709 1.00 0.00 H new ATOM 0 HA HIS A 17 6.730 -0.393 8.927 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.768 -3.071 8.805 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.896 -2.790 7.494 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.127 -0.930 8.384 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.834 -2.290 12.370 1.00 0.00 H new ATOM 0 HE2 HIS A 17 11.325 -1.005 10.729 1.00 0.00 H new ATOM 282 N VAL A 18 6.999 -0.469 5.695 1.00 0.00 N ATOM 283 CA VAL A 18 7.629 0.151 4.536 1.00 0.00 C ATOM 284 C VAL A 18 7.788 1.659 4.741 1.00 0.00 C ATOM 285 O VAL A 18 7.096 2.276 5.551 1.00 0.00 O ATOM 286 CB VAL A 18 6.781 -0.110 3.280 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.412 0.559 2.052 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.697 -1.617 3.037 1.00 0.00 C ATOM 0 H VAL A 18 6.152 -0.996 5.483 1.00 0.00 H new ATOM 0 HA VAL A 18 8.619 -0.288 4.410 1.00 0.00 H new ATOM 0 HB VAL A 18 5.786 0.307 3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.797 0.362 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.476 1.635 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.412 0.156 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.097 -1.809 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.700 -2.019 2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.234 -2.099 3.898 1.00 0.00 H new ATOM 298 N ALA A 19 8.711 2.228 3.980 1.00 0.00 N ATOM 299 CA ALA A 19 8.982 3.658 4.044 1.00 0.00 C ATOM 300 C ALA A 19 9.392 4.161 2.663 1.00 0.00 C ATOM 301 O ALA A 19 10.144 3.500 1.947 1.00 0.00 O ATOM 302 CB ALA A 19 10.104 3.951 5.040 1.00 0.00 C ATOM 0 H ALA A 19 9.287 1.720 3.309 1.00 0.00 H new ATOM 0 HA ALA A 19 8.077 4.168 4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.291 5.024 5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.811 3.603 6.031 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.012 3.434 4.728 1.00 0.00 H new ATOM 308 N ARG A 20 8.878 5.334 2.298 1.00 0.00 N ATOM 309 CA ARG A 20 9.165 5.946 0.989 1.00 0.00 C ATOM 310 C ARG A 20 10.636 5.809 0.582 1.00 0.00 C ATOM 311 O ARG A 20 10.960 5.752 -0.605 1.00 0.00 O ATOM 312 CB ARG A 20 8.802 7.428 1.014 1.00 0.00 C ATOM 313 CG ARG A 20 8.405 7.882 -0.393 1.00 0.00 C ATOM 314 CD ARG A 20 7.966 9.347 -0.351 1.00 0.00 C ATOM 315 NE ARG A 20 9.103 10.232 -0.580 1.00 0.00 N ATOM 316 CZ ARG A 20 9.115 11.082 -1.603 1.00 0.00 C ATOM 317 NH1 ARG A 20 9.190 10.631 -2.825 1.00 0.00 N ATOM 318 NH2 ARG A 20 9.051 12.367 -1.385 1.00 0.00 N ATOM 0 H ARG A 20 8.257 5.887 2.889 1.00 0.00 H new ATOM 0 HA ARG A 20 8.561 5.411 0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.980 7.600 1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.649 8.014 1.371 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.246 7.763 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.595 7.259 -0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.202 9.525 -1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.515 9.569 0.616 1.00 0.00 H new ATOM 0 HE ARG A 20 9.901 10.198 0.054 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.239 9.627 -2.996 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.199 11.283 -3.610 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.992 12.720 -0.430 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.060 13.018 -2.170 1.00 0.00 H new ATOM 332 N ALA A 21 11.522 5.761 1.572 1.00 0.00 N ATOM 333 CA ALA A 21 12.949 5.637 1.292 1.00 0.00 C ATOM 334 C ALA A 21 13.249 4.339 0.550 1.00 0.00 C ATOM 335 O ALA A 21 13.701 4.352 -0.594 1.00 0.00 O ATOM 336 CB ALA A 21 13.755 5.664 2.592 1.00 0.00 C ATOM 0 H ALA A 21 11.282 5.805 2.562 1.00 0.00 H new ATOM 0 HA ALA A 21 13.236 6.482 0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.817 5.570 2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.577 6.606 3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.446 4.835 3.229 1.00 0.00 H new ATOM 342 N ASN A 22 12.999 3.221 1.218 1.00 0.00 N ATOM 343 CA ASN A 22 13.250 1.915 0.620 1.00 0.00 C ATOM 344 C ASN A 22 12.220 1.583 -0.463 1.00 0.00 C ATOM 345 O ASN A 22 12.406 0.638 -1.226 1.00 0.00 O ATOM 346 CB ASN A 22 13.222 0.827 1.694 1.00 0.00 C ATOM 347 CG ASN A 22 11.880 0.840 2.415 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.546 1.805 3.103 1.00 0.00 O ATOM 349 ND2 ASN A 22 11.084 -0.188 2.302 1.00 0.00 N ATOM 0 H ASN A 22 12.626 3.190 2.167 1.00 0.00 H new ATOM 0 HA ASN A 22 14.236 1.952 0.157 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.390 -0.149 1.239 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.029 0.989 2.408 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.185 -0.192 2.784 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.361 -0.987 1.732 1.00 0.00 H new ATOM 356 N VAL A 23 11.140 2.362 -0.541 1.00 0.00 N ATOM 357 CA VAL A 23 10.125 2.107 -1.561 1.00 0.00 C ATOM 358 C VAL A 23 10.702 2.433 -2.935 1.00 0.00 C ATOM 359 O VAL A 23 11.364 3.453 -3.122 1.00 0.00 O ATOM 360 CB VAL A 23 8.867 2.946 -1.308 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.793 2.612 -2.352 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.319 2.641 0.094 1.00 0.00 C ATOM 0 H VAL A 23 10.949 3.154 0.073 1.00 0.00 H new ATOM 0 HA VAL A 23 9.841 1.055 -1.519 1.00 0.00 H new ATOM 0 HB VAL A 23 9.126 4.002 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.903 3.213 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.175 2.831 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.537 1.555 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.425 3.238 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.069 1.582 0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.074 2.886 0.841 1.00 0.00 H new ATOM 372 N LYS A 24 10.455 1.544 -3.889 1.00 0.00 N ATOM 373 CA LYS A 24 10.969 1.731 -5.244 1.00 0.00 C ATOM 374 C LYS A 24 9.978 2.513 -6.096 1.00 0.00 C ATOM 375 O LYS A 24 10.320 3.541 -6.682 1.00 0.00 O ATOM 376 CB LYS A 24 11.233 0.378 -5.907 1.00 0.00 C ATOM 377 CG LYS A 24 12.350 0.525 -6.941 1.00 0.00 C ATOM 378 CD LYS A 24 12.188 -0.542 -8.025 1.00 0.00 C ATOM 379 CE LYS A 24 13.374 -0.477 -8.988 1.00 0.00 C ATOM 380 NZ LYS A 24 13.276 0.759 -9.814 1.00 0.00 N ATOM 0 H LYS A 24 9.908 0.694 -3.754 1.00 0.00 H new ATOM 0 HA LYS A 24 11.901 2.291 -5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.514 -0.359 -5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.325 0.013 -6.387 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.318 1.519 -7.387 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.322 0.423 -6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.129 -1.531 -7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.256 -0.385 -8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 24 14.310 -0.481 -8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.383 -1.357 -9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.956 0.707 -10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.313 0.846 -10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.490 1.588 -9.224 1.00 0.00 H new ATOM 394 N HIS A 25 8.748 2.016 -6.165 1.00 0.00 N ATOM 395 CA HIS A 25 7.721 2.684 -6.961 1.00 0.00 C ATOM 396 C HIS A 25 6.337 2.424 -6.379 1.00 0.00 C ATOM 397 O HIS A 25 6.154 1.539 -5.542 1.00 0.00 O ATOM 398 CB HIS A 25 7.756 2.184 -8.405 1.00 0.00 C ATOM 399 CG HIS A 25 7.234 3.258 -9.319 1.00 0.00 C ATOM 400 ND1 HIS A 25 8.010 4.336 -9.710 1.00 0.00 N ATOM 401 CD2 HIS A 25 6.016 3.432 -9.929 1.00 0.00 C ATOM 402 CE1 HIS A 25 7.258 5.105 -10.520 1.00 0.00 C ATOM 403 NE2 HIS A 25 6.034 4.599 -10.687 1.00 0.00 N ATOM 0 H HIS A 25 8.440 1.168 -5.689 1.00 0.00 H new ATOM 0 HA HIS A 25 7.926 3.754 -6.941 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.775 1.917 -8.684 1.00 0.00 H new ATOM 0 HB3 HIS A 25 7.152 1.282 -8.504 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.172 2.765 -9.835 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.603 6.020 -10.979 1.00 0.00 H new ATOM 0 HE2 HIS A 25 5.275 4.985 -11.249 1.00 0.00 H new ATOM 411 N LEU A 26 5.361 3.206 -6.835 1.00 0.00 N ATOM 412 CA LEU A 26 3.993 3.050 -6.353 1.00 0.00 C ATOM 413 C LEU A 26 3.063 2.642 -7.485 1.00 0.00 C ATOM 414 O LEU A 26 3.210 3.076 -8.628 1.00 0.00 O ATOM 415 CB LEU A 26 3.463 4.356 -5.761 1.00 0.00 C ATOM 416 CG LEU A 26 3.953 4.540 -4.320 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.399 5.858 -3.770 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.463 3.380 -3.439 1.00 0.00 C ATOM 0 H LEU A 26 5.490 3.944 -7.528 1.00 0.00 H new ATOM 0 HA LEU A 26 4.016 2.276 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.792 5.197 -6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.373 4.354 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 26 5.043 4.556 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.742 5.997 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.750 6.686 -4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.309 5.830 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.818 3.523 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.373 3.355 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.850 2.438 -3.829 1.00 0.00 H new ATOM 430 N LYS A 27 2.090 1.813 -7.138 1.00 0.00 N ATOM 431 CA LYS A 27 1.104 1.348 -8.110 1.00 0.00 C ATOM 432 C LYS A 27 -0.239 1.133 -7.417 1.00 0.00 C ATOM 433 O LYS A 27 -0.295 0.926 -6.207 1.00 0.00 O ATOM 434 CB LYS A 27 1.557 0.038 -8.759 1.00 0.00 C ATOM 435 CG LYS A 27 2.341 0.344 -10.036 1.00 0.00 C ATOM 436 CD LYS A 27 2.581 -0.953 -10.811 1.00 0.00 C ATOM 437 CE LYS A 27 1.318 -1.324 -11.590 1.00 0.00 C ATOM 438 NZ LYS A 27 1.662 -2.310 -12.654 1.00 0.00 N ATOM 0 H LYS A 27 1.960 1.448 -6.195 1.00 0.00 H new ATOM 0 HA LYS A 27 1.002 2.106 -8.887 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.179 -0.528 -8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.692 -0.583 -8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.789 1.052 -10.654 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.293 0.813 -9.787 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.420 -0.830 -11.496 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.846 -1.756 -10.123 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.573 -1.746 -10.916 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.877 -0.432 -12.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.804 -2.563 -13.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.359 -1.892 -13.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.064 -3.165 -12.218 1.00 0.00 H new ATOM 452 N ILE A 28 -1.321 1.193 -8.189 1.00 0.00 N ATOM 453 CA ILE A 28 -2.651 1.010 -7.626 1.00 0.00 C ATOM 454 C ILE A 28 -3.520 0.174 -8.562 1.00 0.00 C ATOM 455 O ILE A 28 -3.295 0.132 -9.773 1.00 0.00 O ATOM 456 CB ILE A 28 -3.320 2.367 -7.398 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.403 3.253 -6.551 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.648 2.166 -6.669 1.00 0.00 C ATOM 459 CD1 ILE A 28 -1.489 4.066 -7.467 1.00 0.00 C ATOM 0 H ILE A 28 -1.302 1.365 -9.194 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.547 0.490 -6.674 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.503 2.847 -8.360 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.999 3.921 -5.929 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.806 2.638 -5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.124 3.133 -6.507 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.302 1.536 -7.272 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.466 1.685 -5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.836 4.697 -6.863 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.883 3.390 -8.070 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.094 4.693 -8.122 1.00 0.00 H new ATOM 471 N LEU A 29 -4.520 -0.484 -7.985 1.00 0.00 N ATOM 472 CA LEU A 29 -5.431 -1.313 -8.770 1.00 0.00 C ATOM 473 C LEU A 29 -6.868 -0.839 -8.577 1.00 0.00 C ATOM 474 O LEU A 29 -7.395 -0.843 -7.466 1.00 0.00 O ATOM 475 CB LEU A 29 -5.329 -2.778 -8.344 1.00 0.00 C ATOM 476 CG LEU A 29 -4.165 -3.444 -9.080 1.00 0.00 C ATOM 477 CD1 LEU A 29 -2.841 -2.892 -8.548 1.00 0.00 C ATOM 478 CD2 LEU A 29 -4.215 -4.956 -8.849 1.00 0.00 C ATOM 0 H LEU A 29 -4.720 -0.461 -6.985 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.151 -1.224 -9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.178 -2.845 -7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.260 -3.298 -8.568 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.243 -3.235 -10.147 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.012 -3.367 -9.073 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.804 -1.815 -8.711 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.762 -3.101 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.386 -5.432 -9.373 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.137 -5.164 -7.782 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.158 -5.351 -9.227 1.00 0.00 H new ATOM 490 N ASN A 30 -7.493 -0.424 -9.676 1.00 0.00 N ATOM 491 CA ASN A 30 -8.870 0.058 -9.618 1.00 0.00 C ATOM 492 C ASN A 30 -9.849 -1.087 -9.852 1.00 0.00 C ATOM 493 O ASN A 30 -10.144 -1.451 -10.990 1.00 0.00 O ATOM 494 CB ASN A 30 -9.105 1.137 -10.678 1.00 0.00 C ATOM 495 CG ASN A 30 -10.331 1.961 -10.303 1.00 0.00 C ATOM 496 OD1 ASN A 30 -11.443 1.437 -10.238 1.00 0.00 O ATOM 497 ND2 ASN A 30 -10.195 3.234 -10.049 1.00 0.00 N ATOM 0 H ASN A 30 -7.074 -0.411 -10.606 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.035 0.479 -8.626 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.230 1.782 -10.755 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.249 0.676 -11.655 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.010 3.794 -9.797 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.274 3.669 -10.103 1.00 0.00 H new ATOM 504 N THR A 31 -10.353 -1.647 -8.756 1.00 0.00 N ATOM 505 CA THR A 31 -11.304 -2.752 -8.841 1.00 0.00 C ATOM 506 C THR A 31 -12.692 -2.282 -8.391 1.00 0.00 C ATOM 507 O THR A 31 -12.802 -1.449 -7.491 1.00 0.00 O ATOM 508 CB THR A 31 -10.851 -3.908 -7.943 1.00 0.00 C ATOM 509 OG1 THR A 31 -9.438 -3.867 -7.796 1.00 0.00 O ATOM 510 CG2 THR A 31 -11.258 -5.241 -8.571 1.00 0.00 C ATOM 0 H THR A 31 -10.122 -1.357 -7.806 1.00 0.00 H new ATOM 0 HA THR A 31 -11.350 -3.093 -9.875 1.00 0.00 H new ATOM 0 HB THR A 31 -11.324 -3.811 -6.966 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.131 -4.688 -7.357 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.934 -6.060 -7.929 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.342 -5.275 -8.683 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.789 -5.340 -9.550 1.00 0.00 H new ATOM 518 N PRO A 32 -13.771 -2.800 -9.003 1.00 0.00 N ATOM 519 CA PRO A 32 -15.145 -2.405 -8.636 1.00 0.00 C ATOM 520 C PRO A 32 -15.649 -3.144 -7.402 1.00 0.00 C ATOM 521 O PRO A 32 -16.145 -2.537 -6.453 1.00 0.00 O ATOM 522 CB PRO A 32 -15.950 -2.787 -9.870 1.00 0.00 C ATOM 523 CG PRO A 32 -15.167 -3.875 -10.593 1.00 0.00 C ATOM 524 CD PRO A 32 -13.721 -3.807 -10.093 1.00 0.00 C ATOM 0 HA PRO A 32 -15.220 -1.350 -8.373 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.940 -3.146 -9.589 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -16.097 -1.923 -10.517 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -15.597 -4.856 -10.391 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -15.208 -3.725 -11.672 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -13.378 -4.775 -9.728 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -13.037 -3.505 -10.886 1.00 0.00 H new ATOM 532 N ASN A 33 -15.505 -4.464 -7.423 1.00 0.00 N ATOM 533 CA ASN A 33 -15.935 -5.288 -6.300 1.00 0.00 C ATOM 534 C ASN A 33 -15.197 -4.885 -5.023 1.00 0.00 C ATOM 535 O ASN A 33 -15.697 -5.079 -3.914 1.00 0.00 O ATOM 536 CB ASN A 33 -15.664 -6.766 -6.587 1.00 0.00 C ATOM 537 CG ASN A 33 -16.852 -7.365 -7.332 1.00 0.00 C ATOM 538 OD1 ASN A 33 -16.900 -7.334 -8.562 1.00 0.00 O ATOM 539 ND2 ASN A 33 -17.822 -7.915 -6.655 1.00 0.00 N ATOM 0 H ASN A 33 -15.097 -4.984 -8.200 1.00 0.00 H new ATOM 0 HA ASN A 33 -17.005 -5.134 -6.162 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -14.757 -6.872 -7.182 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.497 -7.304 -5.654 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -18.620 -8.319 -7.145 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.782 -7.941 -5.636 1.00 0.00 H new ATOM 546 N CYS A 34 -14.001 -4.319 -5.190 1.00 0.00 N ATOM 547 CA CYS A 34 -13.201 -3.890 -4.045 1.00 0.00 C ATOM 548 C CYS A 34 -12.977 -2.382 -4.100 1.00 0.00 C ATOM 549 O CYS A 34 -13.545 -1.687 -4.943 1.00 0.00 O ATOM 550 CB CYS A 34 -11.837 -4.591 -4.046 1.00 0.00 C ATOM 551 SG CYS A 34 -12.068 -6.385 -4.157 1.00 0.00 S ATOM 0 H CYS A 34 -13.569 -4.149 -6.098 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.742 -4.153 -3.136 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -11.238 -4.240 -4.886 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.289 -4.341 -3.137 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.908 -6.973 -4.160 1.00 0.00 H new ATOM 556 N ALA A 35 -12.139 -1.886 -3.197 1.00 0.00 N ATOM 557 CA ALA A 35 -11.840 -0.459 -3.153 1.00 0.00 C ATOM 558 C ALA A 35 -10.484 -0.187 -3.800 1.00 0.00 C ATOM 559 O ALA A 35 -9.901 -1.063 -4.439 1.00 0.00 O ATOM 560 CB ALA A 35 -11.819 0.038 -1.706 1.00 0.00 C ATOM 0 H ALA A 35 -11.658 -2.444 -2.492 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.618 0.072 -3.702 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.594 1.105 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.793 -0.134 -1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.055 -0.502 -1.147 1.00 0.00 H new ATOM 566 N LEU A 36 -9.985 1.034 -3.625 1.00 0.00 N ATOM 567 CA LEU A 36 -8.692 1.404 -4.195 1.00 0.00 C ATOM 568 C LEU A 36 -7.566 0.864 -3.322 1.00 0.00 C ATOM 569 O LEU A 36 -7.221 1.449 -2.294 1.00 0.00 O ATOM 570 CB LEU A 36 -8.561 2.931 -4.291 1.00 0.00 C ATOM 571 CG LEU A 36 -9.327 3.463 -5.513 1.00 0.00 C ATOM 572 CD1 LEU A 36 -8.750 2.860 -6.796 1.00 0.00 C ATOM 573 CD2 LEU A 36 -10.812 3.099 -5.400 1.00 0.00 C ATOM 0 H LEU A 36 -10.449 1.776 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.624 0.975 -5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.948 3.393 -3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.509 3.207 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.223 4.548 -5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.299 3.242 -7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.699 3.133 -6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.841 1.774 -6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.347 3.480 -6.270 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.918 2.015 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.228 3.543 -4.495 1.00 0.00 H new ATOM 585 N GLN A 37 -6.997 -0.260 -3.743 1.00 0.00 N ATOM 586 CA GLN A 37 -5.904 -0.879 -2.994 1.00 0.00 C ATOM 587 C GLN A 37 -4.567 -0.405 -3.549 1.00 0.00 C ATOM 588 O GLN A 37 -4.189 -0.754 -4.668 1.00 0.00 O ATOM 589 CB GLN A 37 -5.952 -2.413 -3.091 1.00 0.00 C ATOM 590 CG GLN A 37 -7.394 -2.918 -2.955 1.00 0.00 C ATOM 591 CD GLN A 37 -8.013 -3.054 -4.341 1.00 0.00 C ATOM 592 OE1 GLN A 37 -7.619 -2.356 -5.275 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.970 -3.919 -4.536 1.00 0.00 N ATOM 0 H GLN A 37 -7.269 -0.759 -4.590 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.014 -0.587 -1.950 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.537 -2.736 -4.046 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.332 -2.852 -2.309 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.408 -3.880 -2.442 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.978 -2.225 -2.349 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.299 -4.499 -3.764 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.390 -4.015 -5.461 1.00 0.00 H new ATOM 602 N ILE A 38 -3.852 0.396 -2.764 1.00 0.00 N ATOM 603 CA ILE A 38 -2.560 0.901 -3.211 1.00 0.00 C ATOM 604 C ILE A 38 -1.486 -0.165 -3.050 1.00 0.00 C ATOM 605 O ILE A 38 -1.181 -0.611 -1.941 1.00 0.00 O ATOM 606 CB ILE A 38 -2.136 2.145 -2.432 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.277 3.166 -2.426 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.905 2.759 -3.107 1.00 0.00 C ATOM 609 CD1 ILE A 38 -3.040 4.189 -1.314 1.00 0.00 C ATOM 0 H ILE A 38 -4.138 0.704 -1.835 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.670 1.166 -4.262 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.898 1.870 -1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.334 3.669 -3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.231 2.661 -2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.595 3.648 -2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.092 2.033 -3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.151 3.034 -4.133 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.852 4.916 -1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.004 3.679 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.094 4.702 -1.487 1.00 0.00 H new ATOM 621 N VAL A 39 -0.898 -0.542 -4.174 1.00 0.00 N ATOM 622 CA VAL A 39 0.167 -1.533 -4.166 1.00 0.00 C ATOM 623 C VAL A 39 1.502 -0.814 -4.263 1.00 0.00 C ATOM 624 O VAL A 39 1.546 0.403 -4.447 1.00 0.00 O ATOM 625 CB VAL A 39 0.018 -2.519 -5.331 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.292 -3.293 -5.178 1.00 0.00 C ATOM 627 CG2 VAL A 39 0.004 -1.757 -6.657 1.00 0.00 C ATOM 0 H VAL A 39 -1.137 -0.180 -5.097 1.00 0.00 H new ATOM 0 HA VAL A 39 0.112 -2.105 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 39 0.858 -3.213 -5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.399 -3.994 -6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.282 -3.842 -4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.129 -2.595 -5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.102 -2.463 -7.481 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.833 -1.059 -6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.937 -1.205 -6.770 1.00 0.00 H new ATOM 637 N ALA A 40 2.587 -1.558 -4.120 1.00 0.00 N ATOM 638 CA ALA A 40 3.904 -0.942 -4.176 1.00 0.00 C ATOM 639 C ALA A 40 4.989 -1.962 -4.454 1.00 0.00 C ATOM 640 O ALA A 40 4.729 -3.153 -4.601 1.00 0.00 O ATOM 641 CB ALA A 40 4.217 -0.272 -2.845 1.00 0.00 C ATOM 0 H ALA A 40 2.585 -2.567 -3.968 1.00 0.00 H new ATOM 0 HA ALA A 40 3.886 -0.213 -4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.204 0.188 -2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.470 0.494 -2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.202 -1.017 -2.050 1.00 0.00 H new ATOM 647 N ARG A 41 6.216 -1.462 -4.501 1.00 0.00 N ATOM 648 CA ARG A 41 7.377 -2.309 -4.735 1.00 0.00 C ATOM 649 C ARG A 41 8.560 -1.792 -3.923 1.00 0.00 C ATOM 650 O ARG A 41 9.029 -0.669 -4.127 1.00 0.00 O ATOM 651 CB ARG A 41 7.737 -2.335 -6.218 1.00 0.00 C ATOM 652 CG ARG A 41 8.322 -3.702 -6.576 1.00 0.00 C ATOM 653 CD ARG A 41 9.360 -3.539 -7.687 1.00 0.00 C ATOM 654 NE ARG A 41 8.727 -3.084 -8.922 1.00 0.00 N ATOM 655 CZ ARG A 41 9.438 -2.499 -9.882 1.00 0.00 C ATOM 656 NH1 ARG A 41 10.085 -3.228 -10.750 1.00 0.00 N ATOM 657 NH2 ARG A 41 9.488 -1.198 -9.955 1.00 0.00 N ATOM 0 H ARG A 41 6.433 -0.473 -4.380 1.00 0.00 H new ATOM 0 HA ARG A 41 7.136 -3.325 -4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.851 -2.137 -6.822 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.458 -1.549 -6.442 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.782 -4.153 -5.697 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.529 -4.375 -6.901 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.122 -2.823 -7.378 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.867 -4.488 -7.860 1.00 0.00 H new ATOM 0 HE ARG A 41 7.724 -3.217 -9.050 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.045 -4.246 -10.692 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.630 -2.780 -11.486 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.982 -0.629 -9.276 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.033 -0.749 -10.691 1.00 0.00 H new ATOM 671 N LEU A 42 9.015 -2.617 -2.979 1.00 0.00 N ATOM 672 CA LEU A 42 10.121 -2.240 -2.107 1.00 0.00 C ATOM 673 C LEU A 42 11.464 -2.406 -2.807 1.00 0.00 C ATOM 674 O LEU A 42 11.585 -3.118 -3.806 1.00 0.00 O ATOM 675 CB LEU A 42 10.112 -3.096 -0.840 1.00 0.00 C ATOM 676 CG LEU A 42 8.719 -3.072 -0.204 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.705 -3.981 1.025 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.370 -1.643 0.223 1.00 0.00 C ATOM 0 H LEU A 42 8.634 -3.547 -2.801 1.00 0.00 H new ATOM 0 HA LEU A 42 9.988 -1.190 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.393 -4.121 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.851 -2.721 -0.132 1.00 0.00 H new ATOM 0 HG LEU A 42 7.987 -3.423 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.714 -3.965 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.951 -5.000 0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.440 -3.627 1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.378 -1.630 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.104 -1.290 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.379 -0.990 -0.650 1.00 0.00 H new ATOM 690 N LYS A 43 12.466 -1.719 -2.260 1.00 0.00 N ATOM 691 CA LYS A 43 13.818 -1.745 -2.812 1.00 0.00 C ATOM 692 C LYS A 43 14.750 -2.590 -1.946 1.00 0.00 C ATOM 693 O LYS A 43 15.555 -3.369 -2.454 1.00 0.00 O ATOM 694 CB LYS A 43 14.365 -0.314 -2.886 1.00 0.00 C ATOM 695 CG LYS A 43 15.726 -0.299 -3.584 1.00 0.00 C ATOM 696 CD LYS A 43 16.834 -0.534 -2.556 1.00 0.00 C ATOM 697 CE LYS A 43 18.095 0.219 -2.983 1.00 0.00 C ATOM 698 NZ LYS A 43 19.247 -0.230 -2.150 1.00 0.00 N ATOM 0 H LYS A 43 12.365 -1.135 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 43 13.772 -2.186 -3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.665 0.322 -3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.460 0.098 -1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.760 -1.071 -4.353 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.878 0.657 -4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.510 -0.194 -1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.045 -1.600 -2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 43 18.302 0.036 -4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 43 17.947 1.293 -2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 20.105 0.281 -2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 19.048 -0.034 -1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 19.392 -1.252 -2.280 1.00 0.00 H new ATOM 712 N ASN A 44 14.642 -2.412 -0.629 1.00 0.00 N ATOM 713 CA ASN A 44 15.489 -3.145 0.321 1.00 0.00 C ATOM 714 C ASN A 44 15.560 -4.635 -0.018 1.00 0.00 C ATOM 715 O ASN A 44 16.597 -5.277 0.150 1.00 0.00 O ATOM 716 CB ASN A 44 14.948 -2.990 1.743 1.00 0.00 C ATOM 717 CG ASN A 44 16.100 -3.070 2.739 1.00 0.00 C ATOM 718 OD1 ASN A 44 16.327 -4.112 3.353 1.00 0.00 O ATOM 719 ND2 ASN A 44 16.851 -2.020 2.936 1.00 0.00 N ATOM 0 H ASN A 44 13.980 -1.770 -0.194 1.00 0.00 H new ATOM 0 HA ASN A 44 16.491 -2.722 0.251 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.432 -2.036 1.845 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.218 -3.772 1.952 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.625 -2.064 3.599 1.00 0.00 H new ATOM 0 HD22 ASN A 44 16.663 -1.156 2.427 1.00 0.00 H new ATOM 726 N ASN A 45 14.444 -5.171 -0.494 1.00 0.00 N ATOM 727 CA ASN A 45 14.382 -6.588 -0.854 1.00 0.00 C ATOM 728 C ASN A 45 14.062 -6.776 -2.338 1.00 0.00 C ATOM 729 O ASN A 45 14.405 -7.800 -2.931 1.00 0.00 O ATOM 730 CB ASN A 45 13.314 -7.298 -0.021 1.00 0.00 C ATOM 731 CG ASN A 45 11.958 -6.631 -0.235 1.00 0.00 C ATOM 732 OD1 ASN A 45 11.469 -6.548 -1.361 1.00 0.00 O ATOM 733 ND2 ASN A 45 11.316 -6.150 0.792 1.00 0.00 N ATOM 0 H ASN A 45 13.576 -4.656 -0.640 1.00 0.00 H new ATOM 0 HA ASN A 45 15.362 -7.020 -0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.260 -8.349 -0.303 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.583 -7.265 1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.408 -5.704 0.663 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.722 -6.219 1.725 1.00 0.00 H new ATOM 740 N ASN A 46 13.389 -5.785 -2.926 1.00 0.00 N ATOM 741 CA ASN A 46 13.003 -5.843 -4.342 1.00 0.00 C ATOM 742 C ASN A 46 11.811 -6.778 -4.509 1.00 0.00 C ATOM 743 O ASN A 46 11.935 -7.892 -5.019 1.00 0.00 O ATOM 744 CB ASN A 46 14.157 -6.322 -5.240 1.00 0.00 C ATOM 745 CG ASN A 46 15.444 -5.592 -4.861 1.00 0.00 C ATOM 746 OD1 ASN A 46 16.207 -6.062 -4.017 1.00 0.00 O ATOM 747 ND2 ASN A 46 15.732 -4.460 -5.443 1.00 0.00 N ATOM 0 H ASN A 46 13.099 -4.933 -2.446 1.00 0.00 H new ATOM 0 HA ASN A 46 12.739 -4.832 -4.651 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.293 -7.398 -5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.917 -6.136 -6.287 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.589 -3.965 -5.199 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.100 -4.071 -6.142 1.00 0.00 H new ATOM 754 N ARG A 47 10.650 -6.308 -4.061 1.00 0.00 N ATOM 755 CA ARG A 47 9.429 -7.102 -4.150 1.00 0.00 C ATOM 756 C ARG A 47 8.203 -6.196 -4.102 1.00 0.00 C ATOM 757 O ARG A 47 8.278 -5.057 -3.646 1.00 0.00 O ATOM 758 CB ARG A 47 9.361 -8.100 -2.992 1.00 0.00 C ATOM 759 CG ARG A 47 8.182 -9.046 -3.206 1.00 0.00 C ATOM 760 CD ARG A 47 8.401 -10.330 -2.405 1.00 0.00 C ATOM 761 NE ARG A 47 7.124 -10.963 -2.084 1.00 0.00 N ATOM 762 CZ ARG A 47 6.650 -11.963 -2.822 1.00 0.00 C ATOM 763 NH1 ARG A 47 7.229 -13.133 -2.785 1.00 0.00 N ATOM 764 NH2 ARG A 47 5.606 -11.776 -3.583 1.00 0.00 N ATOM 0 H ARG A 47 10.529 -5.389 -3.636 1.00 0.00 H new ATOM 0 HA ARG A 47 9.442 -7.643 -5.096 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.290 -8.667 -2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.249 -7.570 -2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.255 -8.564 -2.894 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.078 -9.280 -4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.021 -11.020 -2.977 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.941 -10.103 -1.486 1.00 0.00 H new ATOM 0 HE ARG A 47 6.588 -10.633 -1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.045 -13.280 -2.190 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.866 -13.900 -3.351 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.153 -10.863 -3.612 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.243 -12.543 -4.149 1.00 0.00 H new ATOM 778 N GLN A 48 7.073 -6.713 -4.580 1.00 0.00 N ATOM 779 CA GLN A 48 5.835 -5.936 -4.591 1.00 0.00 C ATOM 780 C GLN A 48 5.048 -6.143 -3.299 1.00 0.00 C ATOM 781 O GLN A 48 4.881 -7.270 -2.834 1.00 0.00 O ATOM 782 CB GLN A 48 4.959 -6.345 -5.777 1.00 0.00 C ATOM 783 CG GLN A 48 3.781 -5.375 -5.902 1.00 0.00 C ATOM 784 CD GLN A 48 2.661 -6.034 -6.699 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.917 -6.775 -7.647 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.420 -5.806 -6.367 1.00 0.00 N ATOM 0 H GLN A 48 6.988 -7.655 -4.961 1.00 0.00 H new ATOM 0 HA GLN A 48 6.106 -4.884 -4.679 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.546 -6.340 -6.695 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.593 -7.362 -5.638 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.421 -5.094 -4.912 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.102 -4.458 -6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.207 -5.192 -5.581 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.663 -6.242 -6.893 1.00 0.00 H new ATOM 795 N VAL A 49 4.558 -5.042 -2.725 1.00 0.00 N ATOM 796 CA VAL A 49 3.782 -5.130 -1.483 1.00 0.00 C ATOM 797 C VAL A 49 2.734 -4.028 -1.411 1.00 0.00 C ATOM 798 O VAL A 49 2.897 -2.956 -1.989 1.00 0.00 O ATOM 799 CB VAL A 49 4.686 -5.001 -0.256 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.557 -6.247 -0.123 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.576 -3.765 -0.408 1.00 0.00 C ATOM 0 H VAL A 49 4.680 -4.097 -3.090 1.00 0.00 H new ATOM 0 HA VAL A 49 3.297 -6.106 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 49 4.070 -4.899 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.199 -6.150 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.921 -7.125 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.174 -6.357 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.221 -3.671 0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.190 -3.866 -1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.952 -2.876 -0.495 1.00 0.00 H new ATOM 811 N CYS A 50 1.667 -4.296 -0.663 1.00 0.00 N ATOM 812 CA CYS A 50 0.605 -3.313 -0.488 1.00 0.00 C ATOM 813 C CYS A 50 0.965 -2.402 0.677 1.00 0.00 C ATOM 814 O CYS A 50 1.210 -2.871 1.788 1.00 0.00 O ATOM 815 CB CYS A 50 -0.728 -4.005 -0.190 1.00 0.00 C ATOM 816 SG CYS A 50 -1.192 -5.056 -1.590 1.00 0.00 S ATOM 0 H CYS A 50 1.516 -5.178 -0.173 1.00 0.00 H new ATOM 0 HA CYS A 50 0.502 -2.736 -1.407 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.643 -4.605 0.716 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.503 -3.261 -0.008 1.00 0.00 H new ATOM 821 N ILE A 51 1.011 -1.098 0.419 1.00 0.00 N ATOM 822 CA ILE A 51 1.365 -0.159 1.480 1.00 0.00 C ATOM 823 C ILE A 51 0.130 0.280 2.243 1.00 0.00 C ATOM 824 O ILE A 51 -0.981 0.294 1.711 1.00 0.00 O ATOM 825 CB ILE A 51 2.077 1.075 0.930 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.213 0.643 0.000 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.663 1.866 2.099 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.857 1.880 -0.621 1.00 0.00 C ATOM 0 H ILE A 51 0.814 -0.676 -0.488 1.00 0.00 H new ATOM 0 HA ILE A 51 2.045 -0.682 2.152 1.00 0.00 H new ATOM 0 HB ILE A 51 1.369 1.690 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.957 0.073 0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.829 -0.012 -0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.175 2.751 1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.860 2.171 2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.372 1.241 2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.667 1.575 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.110 2.432 -1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.255 2.518 0.168 1.00 0.00 H new ATOM 840 N ASP A 52 0.338 0.625 3.508 1.00 0.00 N ATOM 841 CA ASP A 52 -0.761 1.049 4.362 1.00 0.00 C ATOM 842 C ASP A 52 -1.132 2.508 4.066 1.00 0.00 C ATOM 843 O ASP A 52 -0.253 3.337 3.831 1.00 0.00 O ATOM 844 CB ASP A 52 -0.360 0.912 5.838 1.00 0.00 C ATOM 845 CG ASP A 52 -1.484 0.240 6.622 1.00 0.00 C ATOM 846 OD1 ASP A 52 -1.520 -0.979 6.639 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.291 0.954 7.193 1.00 0.00 O ATOM 0 H ASP A 52 1.252 0.619 3.961 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.624 0.414 4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.555 0.325 5.922 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.148 1.895 6.259 1.00 0.00 H new ATOM 852 N PRO A 53 -2.432 2.845 4.074 1.00 0.00 N ATOM 853 CA PRO A 53 -2.886 4.225 3.798 1.00 0.00 C ATOM 854 C PRO A 53 -2.647 5.168 4.976 1.00 0.00 C ATOM 855 O PRO A 53 -2.580 6.386 4.806 1.00 0.00 O ATOM 856 CB PRO A 53 -4.377 4.052 3.537 1.00 0.00 C ATOM 857 CG PRO A 53 -4.798 2.767 4.229 1.00 0.00 C ATOM 858 CD PRO A 53 -3.545 1.900 4.359 1.00 0.00 C ATOM 0 HA PRO A 53 -2.343 4.678 2.969 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.938 4.902 3.925 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.578 3.999 2.467 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.224 2.979 5.210 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.566 2.252 3.652 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.458 1.468 5.356 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.557 1.070 3.652 1.00 0.00 H new ATOM 866 N LYS A 54 -2.517 4.596 6.169 1.00 0.00 N ATOM 867 CA LYS A 54 -2.285 5.404 7.362 1.00 0.00 C ATOM 868 C LYS A 54 -0.787 5.606 7.622 1.00 0.00 C ATOM 869 O LYS A 54 -0.397 6.055 8.700 1.00 0.00 O ATOM 870 CB LYS A 54 -2.931 4.750 8.593 1.00 0.00 C ATOM 871 CG LYS A 54 -2.290 3.382 8.868 1.00 0.00 C ATOM 872 CD LYS A 54 -3.363 2.398 9.342 1.00 0.00 C ATOM 873 CE LYS A 54 -3.743 2.713 10.790 1.00 0.00 C ATOM 874 NZ LYS A 54 -4.878 3.677 10.806 1.00 0.00 N ATOM 0 H LYS A 54 -2.567 3.591 6.335 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.741 6.378 7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.811 5.397 9.462 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.002 4.631 8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.811 3.005 7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.512 3.479 9.625 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.242 2.466 8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.992 1.376 9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.022 1.797 11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.887 3.133 11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.426 3.554 11.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.509 4.648 10.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.493 3.503 9.985 1.00 0.00 H new ATOM 888 N LEU A 55 0.053 5.282 6.632 1.00 0.00 N ATOM 889 CA LEU A 55 1.492 5.455 6.803 1.00 0.00 C ATOM 890 C LEU A 55 1.821 6.934 6.961 1.00 0.00 C ATOM 891 O LEU A 55 1.034 7.803 6.586 1.00 0.00 O ATOM 892 CB LEU A 55 2.256 4.867 5.613 1.00 0.00 C ATOM 893 CG LEU A 55 2.828 3.493 5.990 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.532 2.874 4.778 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.828 3.642 7.145 1.00 0.00 C ATOM 0 H LEU A 55 -0.233 4.908 5.727 1.00 0.00 H new ATOM 0 HA LEU A 55 1.801 4.922 7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.592 4.771 4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.063 5.539 5.319 1.00 0.00 H new ATOM 0 HG LEU A 55 2.012 2.843 6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.936 1.899 5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.817 2.756 3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.344 3.526 4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.230 2.663 7.407 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.643 4.298 6.839 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.323 4.070 8.011 1.00 0.00 H new ATOM 907 N LYS A 56 2.975 7.207 7.552 1.00 0.00 N ATOM 908 CA LYS A 56 3.385 8.581 7.797 1.00 0.00 C ATOM 909 C LYS A 56 3.803 9.286 6.517 1.00 0.00 C ATOM 910 O LYS A 56 3.509 10.467 6.328 1.00 0.00 O ATOM 911 CB LYS A 56 4.542 8.630 8.797 1.00 0.00 C ATOM 912 CG LYS A 56 3.986 8.600 10.222 1.00 0.00 C ATOM 913 CD LYS A 56 5.043 9.130 11.193 1.00 0.00 C ATOM 914 CE LYS A 56 4.358 9.656 12.455 1.00 0.00 C ATOM 915 NZ LYS A 56 3.832 8.510 13.250 1.00 0.00 N ATOM 0 H LYS A 56 3.639 6.501 7.869 1.00 0.00 H new ATOM 0 HA LYS A 56 2.519 9.099 8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.210 7.784 8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.131 9.534 8.644 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.083 9.207 10.284 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.705 7.582 10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.745 8.337 11.451 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.620 9.925 10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.065 10.232 13.052 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.544 10.330 12.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.381 8.867 14.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.132 7.988 12.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.615 7.875 13.504 1.00 0.00 H new ATOM 929 N TRP A 57 4.495 8.572 5.641 1.00 0.00 N ATOM 930 CA TRP A 57 4.929 9.184 4.394 1.00 0.00 C ATOM 931 C TRP A 57 3.838 9.090 3.339 1.00 0.00 C ATOM 932 O TRP A 57 3.741 9.943 2.455 1.00 0.00 O ATOM 933 CB TRP A 57 6.230 8.559 3.880 1.00 0.00 C ATOM 934 CG TRP A 57 6.054 7.109 3.548 1.00 0.00 C ATOM 935 CD1 TRP A 57 6.119 6.081 4.431 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.807 6.512 2.246 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.956 4.893 3.739 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.755 5.109 2.394 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.631 7.051 0.963 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.541 4.269 1.305 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.406 6.208 -0.139 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.364 4.818 0.033 1.00 0.00 C ATOM 0 H TRP A 57 4.762 7.595 5.764 1.00 0.00 H new ATOM 0 HA TRP A 57 5.126 10.237 4.598 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.567 9.097 2.994 1.00 0.00 H new ATOM 0 HB3 TRP A 57 7.009 8.668 4.635 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.272 6.174 5.496 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.982 3.970 4.173 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.669 8.121 0.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.512 3.198 1.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.265 6.633 -1.122 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.195 4.173 -0.816 1.00 0.00 H new ATOM 953 N ILE A 58 3.003 8.058 3.441 1.00 0.00 N ATOM 954 CA ILE A 58 1.925 7.905 2.486 1.00 0.00 C ATOM 955 C ILE A 58 0.757 8.824 2.851 1.00 0.00 C ATOM 956 O ILE A 58 -0.082 9.111 2.004 1.00 0.00 O ATOM 957 CB ILE A 58 1.478 6.433 2.375 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.613 5.661 1.645 1.00 0.00 C ATOM 959 CG2 ILE A 58 0.131 6.324 1.614 1.00 0.00 C ATOM 960 CD1 ILE A 58 2.080 4.518 0.765 1.00 0.00 C ATOM 0 H ILE A 58 3.054 7.335 4.159 1.00 0.00 H new ATOM 0 HA ILE A 58 2.292 8.200 1.503 1.00 0.00 H new ATOM 0 HB ILE A 58 1.310 6.002 3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.181 6.356 1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.304 5.254 2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.166 5.277 1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.635 6.885 2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.246 6.733 0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.915 4.013 0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.536 3.805 1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.411 4.924 0.007 1.00 0.00 H new ATOM 972 N GLN A 59 0.701 9.297 4.101 1.00 0.00 N ATOM 973 CA GLN A 59 -0.385 10.190 4.472 1.00 0.00 C ATOM 974 C GLN A 59 -0.213 11.527 3.755 1.00 0.00 C ATOM 975 O GLN A 59 -1.191 12.205 3.437 1.00 0.00 O ATOM 976 CB GLN A 59 -0.460 10.405 5.990 1.00 0.00 C ATOM 977 CG GLN A 59 0.852 11.003 6.511 1.00 0.00 C ATOM 978 CD GLN A 59 0.553 12.170 7.449 1.00 0.00 C ATOM 979 OE1 GLN A 59 1.219 12.280 8.567 1.00 0.00 O flip ATOM 980 NE2 GLN A 59 -0.308 13.002 7.161 1.00 0.00 N flip ATOM 0 H GLN A 59 1.369 9.084 4.842 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.323 9.726 4.166 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.290 11.070 6.229 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.658 9.456 6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.426 10.240 7.037 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.464 11.344 5.676 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.828 12.916 6.288 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.501 13.777 7.796 1.00 0.00 H new ATOM 989 N GLU A 60 1.042 11.887 3.470 1.00 0.00 N ATOM 990 CA GLU A 60 1.318 13.127 2.754 1.00 0.00 C ATOM 991 C GLU A 60 1.100 12.899 1.262 1.00 0.00 C ATOM 992 O GLU A 60 0.613 13.773 0.544 1.00 0.00 O ATOM 993 CB GLU A 60 2.760 13.581 2.990 1.00 0.00 C ATOM 994 CG GLU A 60 2.814 14.494 4.216 1.00 0.00 C ATOM 995 CD GLU A 60 2.426 15.912 3.812 1.00 0.00 C ATOM 996 OE1 GLU A 60 3.008 16.418 2.868 1.00 0.00 O ATOM 997 OE2 GLU A 60 1.552 16.471 4.455 1.00 0.00 O ATOM 0 H GLU A 60 1.868 11.344 3.721 1.00 0.00 H new ATOM 0 HA GLU A 60 0.645 13.902 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.405 12.715 3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.134 14.110 2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.137 14.126 4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.817 14.488 4.643 1.00 0.00 H new ATOM 1004 N TYR A 61 1.455 11.696 0.813 1.00 0.00 N ATOM 1005 CA TYR A 61 1.289 11.324 -0.588 1.00 0.00 C ATOM 1006 C TYR A 61 -0.202 11.230 -0.915 1.00 0.00 C ATOM 1007 O TYR A 61 -0.688 11.854 -1.858 1.00 0.00 O ATOM 1008 CB TYR A 61 2.004 9.970 -0.848 1.00 0.00 C ATOM 1009 CG TYR A 61 1.433 9.236 -2.047 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.259 9.896 -3.269 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.068 7.893 -1.919 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.721 9.207 -4.363 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.529 7.205 -3.008 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.356 7.861 -4.233 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.174 7.182 -5.311 1.00 0.00 O ATOM 0 H TYR A 61 1.858 10.965 1.399 1.00 0.00 H new ATOM 0 HA TYR A 61 1.736 12.080 -1.233 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.067 10.148 -1.007 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.915 9.340 0.037 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.539 10.934 -3.368 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.203 7.386 -0.975 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.587 9.714 -5.307 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.246 6.168 -2.906 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.372 6.258 -5.051 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.914 10.441 -0.122 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.345 10.265 -0.326 1.00 0.00 C ATOM 1027 C LEU A 62 -3.067 11.604 -0.195 1.00 0.00 C ATOM 1028 O LEU A 62 -4.112 11.827 -0.807 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.901 9.284 0.708 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.929 8.362 0.049 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -3.215 7.160 -0.571 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -4.926 7.875 1.103 1.00 0.00 C ATOM 0 H LEU A 62 -0.528 9.916 0.663 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.508 9.869 -1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.090 8.693 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.364 9.831 1.529 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.460 8.909 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.948 6.504 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.505 7.506 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.683 6.612 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.659 7.218 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.394 7.328 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.436 8.731 1.544 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.488 12.495 0.607 1.00 0.00 N ATOM 1045 CA GLU A 63 -3.074 13.814 0.812 1.00 0.00 C ATOM 1046 C GLU A 63 -3.094 14.594 -0.500 1.00 0.00 C ATOM 1047 O GLU A 63 -4.098 15.213 -0.854 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.272 14.602 1.852 1.00 0.00 C ATOM 1049 CG GLU A 63 -2.869 14.369 3.241 1.00 0.00 C ATOM 1050 CD GLU A 63 -1.841 14.737 4.305 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -1.135 15.711 4.106 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -1.774 14.038 5.304 1.00 0.00 O ATOM 0 H GLU A 63 -1.622 12.329 1.120 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.094 13.679 1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.228 14.288 1.836 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.289 15.665 1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.769 14.970 3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.164 13.326 3.351 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.973 14.557 -1.218 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.879 15.266 -2.492 1.00 0.00 C ATOM 1061 C LYS A 64 -2.426 14.409 -3.633 1.00 0.00 C ATOM 1062 O LYS A 64 -2.894 14.930 -4.646 1.00 0.00 O ATOM 1063 CB LYS A 64 -0.427 15.646 -2.797 1.00 0.00 C ATOM 1064 CG LYS A 64 0.453 14.393 -2.792 1.00 0.00 C ATOM 1065 CD LYS A 64 1.705 14.649 -3.634 1.00 0.00 C ATOM 1066 CE LYS A 64 2.804 13.665 -3.229 1.00 0.00 C ATOM 1067 NZ LYS A 64 3.766 13.503 -4.356 1.00 0.00 N ATOM 0 H LYS A 64 -1.130 14.052 -0.945 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.477 16.173 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.367 16.139 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.065 16.358 -2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.734 14.137 -1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.101 13.544 -3.193 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.473 14.536 -4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.049 15.673 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.324 14.029 -2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.366 12.701 -2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.513 12.834 -4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.264 13.138 -5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.192 14.424 -4.584 1.00 0.00 H new ATOM 1081 N ALA A 65 -2.365 13.089 -3.461 1.00 0.00 N ATOM 1082 CA ALA A 65 -2.859 12.175 -4.486 1.00 0.00 C ATOM 1083 C ALA A 65 -4.377 12.278 -4.607 1.00 0.00 C ATOM 1084 O ALA A 65 -4.941 12.117 -5.688 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.484 10.732 -4.144 1.00 0.00 C ATOM 0 H ALA A 65 -1.983 12.634 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.399 12.454 -5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.861 10.065 -4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.399 10.642 -4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.925 10.459 -3.185 1.00 0.00 H new