USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 ASN : amide:sc= -0.316 K(o=-0.32,f=-1.5) USER MOD Single : A 12 GLN : amide:sc= -0.0258 X(o=-0.026,f=-0.26) USER MOD Single : A 14 ASN : amide:sc= -0.0196 K(o=-0.02,f=-0.99) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 0.676 (180deg=0.518) USER MOD Single : A 20 MET CE :methyl 175:sc= 0 (180deg=-0.0393) USER MOD Single : A 21 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.59) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.0406 X(o=-0.041,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 49 ASN : amide:sc= -0.255 K(o=-0.25,f=-2!) USER MOD Single : A 53 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.0022) USER MOD Single : A 55 THR OG1 : rot 88:sc= 1.21 USER MOD Single : A 56 ASN : amide:sc= -0.0775 X(o=-0.078,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 61 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.4) USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= 0.239 (180deg=0.0373) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 139 N ASN A 11 8.725 42.123 -8.963 1.00 0.00 N ATOM 140 CA ASN A 11 9.322 40.854 -8.560 1.00 0.00 C ATOM 141 C ASN A 11 8.378 40.073 -7.650 1.00 0.00 C ATOM 142 O ASN A 11 8.598 38.893 -7.379 1.00 0.00 O ATOM 143 CB ASN A 11 10.652 41.098 -7.844 1.00 0.00 C ATOM 144 CG ASN A 11 10.463 41.612 -6.430 1.00 0.00 C ATOM 145 OD1 ASN A 11 9.458 42.252 -6.121 1.00 0.00 O ATOM 146 ND2 ASN A 11 11.431 41.335 -5.564 1.00 0.00 N ATOM 0 HA ASN A 11 9.503 40.264 -9.459 1.00 0.00 H new ATOM 0 HB2 ASN A 11 11.222 40.169 -7.817 1.00 0.00 H new ATOM 0 HB3 ASN A 11 11.241 41.817 -8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 11 11.359 41.656 -4.599 1.00 0.00 H new ATOM 0 HD22 ASN A 11 12.247 40.801 -5.864 1.00 0.00 H new ATOM 153 N GLN A 12 7.328 40.741 -7.183 1.00 0.00 N ATOM 154 CA GLN A 12 6.351 40.110 -6.304 1.00 0.00 C ATOM 155 C GLN A 12 5.788 38.842 -6.939 1.00 0.00 C ATOM 156 O GLN A 12 5.617 37.823 -6.268 1.00 0.00 O ATOM 157 CB GLN A 12 5.215 41.084 -5.986 1.00 0.00 C ATOM 158 CG GLN A 12 4.217 40.544 -4.975 1.00 0.00 C ATOM 159 CD GLN A 12 3.619 41.634 -4.107 1.00 0.00 C ATOM 160 OE1 GLN A 12 4.338 42.469 -3.556 1.00 0.00 O ATOM 161 NE2 GLN A 12 2.297 41.632 -3.979 1.00 0.00 N ATOM 0 H GLN A 12 7.132 41.719 -7.399 1.00 0.00 H new ATOM 0 HA GLN A 12 6.855 39.837 -5.377 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.640 42.013 -5.605 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.689 41.329 -6.908 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.417 40.024 -5.502 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.711 39.809 -4.340 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.740 40.921 -4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.839 42.341 -3.406 1.00 0.00 H new ATOM 170 N VAL A 13 5.500 38.912 -8.234 1.00 0.00 N ATOM 171 CA VAL A 13 4.956 37.770 -8.959 1.00 0.00 C ATOM 172 C VAL A 13 5.984 36.650 -9.071 1.00 0.00 C ATOM 173 O VAL A 13 5.638 35.470 -9.049 1.00 0.00 O ATOM 174 CB VAL A 13 4.493 38.171 -10.373 1.00 0.00 C ATOM 175 CG1 VAL A 13 5.664 38.698 -11.188 1.00 0.00 C ATOM 176 CG2 VAL A 13 3.834 36.991 -11.071 1.00 0.00 C ATOM 0 H VAL A 13 5.634 39.748 -8.803 1.00 0.00 H new ATOM 0 HA VAL A 13 4.096 37.415 -8.391 1.00 0.00 H new ATOM 0 HB VAL A 13 3.756 38.969 -10.284 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.318 38.976 -12.184 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.087 39.572 -10.693 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.427 37.924 -11.272 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.513 37.291 -12.068 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.548 36.171 -11.151 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.969 36.664 -10.494 1.00 0.00 H new ATOM 186 N ASN A 14 7.253 37.028 -9.192 1.00 0.00 N ATOM 187 CA ASN A 14 8.333 36.056 -9.308 1.00 0.00 C ATOM 188 C ASN A 14 8.486 35.256 -8.017 1.00 0.00 C ATOM 189 O ASN A 14 8.547 34.027 -8.040 1.00 0.00 O ATOM 190 CB ASN A 14 9.649 36.761 -9.643 1.00 0.00 C ATOM 191 CG ASN A 14 10.648 35.835 -10.310 1.00 0.00 C ATOM 192 OD1 ASN A 14 10.860 34.708 -9.863 1.00 0.00 O ATOM 193 ND2 ASN A 14 11.266 36.309 -11.385 1.00 0.00 N ATOM 0 H ASN A 14 7.558 38.001 -9.212 1.00 0.00 H new ATOM 0 HA ASN A 14 8.083 35.367 -10.115 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.448 37.607 -10.300 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.085 37.164 -8.729 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.949 35.732 -11.877 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.058 37.250 -11.719 1.00 0.00 H new ATOM 200 N ASP A 15 8.547 35.963 -6.894 1.00 0.00 N ATOM 201 CA ASP A 15 8.691 35.320 -5.593 1.00 0.00 C ATOM 202 C ASP A 15 7.454 34.494 -5.255 1.00 0.00 C ATOM 203 O ASP A 15 7.562 33.369 -4.769 1.00 0.00 O ATOM 204 CB ASP A 15 8.931 36.368 -4.507 1.00 0.00 C ATOM 205 CG ASP A 15 10.349 36.332 -3.969 1.00 0.00 C ATOM 206 OD1 ASP A 15 11.252 35.890 -4.710 1.00 0.00 O ATOM 207 OD2 ASP A 15 10.555 36.743 -2.808 1.00 0.00 O ATOM 0 H ASP A 15 8.499 36.981 -6.858 1.00 0.00 H new ATOM 0 HA ASP A 15 9.551 34.652 -5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.724 37.359 -4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.231 36.205 -3.688 1.00 0.00 H new ATOM 212 N GLU A 16 6.280 35.062 -5.516 1.00 0.00 N ATOM 213 CA GLU A 16 5.023 34.377 -5.237 1.00 0.00 C ATOM 214 C GLU A 16 4.933 33.066 -6.013 1.00 0.00 C ATOM 215 O GLU A 16 4.619 32.018 -5.448 1.00 0.00 O ATOM 216 CB GLU A 16 3.837 35.276 -5.595 1.00 0.00 C ATOM 217 CG GLU A 16 3.441 36.232 -4.484 1.00 0.00 C ATOM 218 CD GLU A 16 2.326 37.175 -4.894 1.00 0.00 C ATOM 219 OE1 GLU A 16 1.792 37.009 -6.010 1.00 0.00 O ATOM 220 OE2 GLU A 16 1.988 38.078 -4.100 1.00 0.00 O ATOM 0 H GLU A 16 6.174 35.993 -5.919 1.00 0.00 H new ATOM 0 HA GLU A 16 4.991 34.151 -4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.085 35.852 -6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.981 34.650 -5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.125 35.659 -3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.312 36.814 -4.184 1.00 0.00 H new ATOM 227 N LEU A 17 5.211 33.133 -7.310 1.00 0.00 N ATOM 228 CA LEU A 17 5.163 31.952 -8.165 1.00 0.00 C ATOM 229 C LEU A 17 6.302 30.993 -7.834 1.00 0.00 C ATOM 230 O LEU A 17 6.180 29.782 -8.018 1.00 0.00 O ATOM 231 CB LEU A 17 5.236 32.360 -9.638 1.00 0.00 C ATOM 232 CG LEU A 17 6.639 32.456 -10.237 1.00 0.00 C ATOM 233 CD1 LEU A 17 7.064 31.116 -10.818 1.00 0.00 C ATOM 234 CD2 LEU A 17 6.690 33.540 -11.304 1.00 0.00 C ATOM 0 H LEU A 17 5.472 33.993 -7.793 1.00 0.00 H new ATOM 0 HA LEU A 17 4.218 31.441 -7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.661 31.642 -10.223 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.747 33.327 -9.751 1.00 0.00 H new ATOM 0 HG LEU A 17 7.335 32.722 -9.442 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.065 31.203 -11.240 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.067 30.362 -10.031 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.365 30.821 -11.601 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.696 33.594 -11.720 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.982 33.303 -12.098 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.429 34.500 -10.860 1.00 0.00 H new ATOM 246 N ASN A 18 7.407 31.541 -7.341 1.00 0.00 N ATOM 247 CA ASN A 18 8.567 30.734 -6.983 1.00 0.00 C ATOM 248 C ASN A 18 8.241 29.798 -5.824 1.00 0.00 C ATOM 249 O ASN A 18 8.342 28.577 -5.951 1.00 0.00 O ATOM 250 CB ASN A 18 9.746 31.636 -6.609 1.00 0.00 C ATOM 251 CG ASN A 18 10.966 30.844 -6.179 1.00 0.00 C ATOM 252 OD1 ASN A 18 11.534 30.083 -6.962 1.00 0.00 O ATOM 253 ND2 ASN A 18 11.374 31.020 -4.928 1.00 0.00 N ATOM 0 H ASN A 18 7.524 32.541 -7.180 1.00 0.00 H new ATOM 0 HA ASN A 18 8.840 30.130 -7.849 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.005 32.263 -7.462 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.447 32.304 -5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.189 30.514 -4.581 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.873 31.661 -4.313 1.00 0.00 H new ATOM 260 N LYS A 19 7.850 30.378 -4.694 1.00 0.00 N ATOM 261 CA LYS A 19 7.506 29.596 -3.512 1.00 0.00 C ATOM 262 C LYS A 19 6.274 28.734 -3.769 1.00 0.00 C ATOM 263 O LYS A 19 6.264 27.543 -3.463 1.00 0.00 O ATOM 264 CB LYS A 19 7.256 30.522 -2.320 1.00 0.00 C ATOM 265 CG LYS A 19 8.384 31.505 -2.065 1.00 0.00 C ATOM 266 CD LYS A 19 7.859 32.917 -1.866 1.00 0.00 C ATOM 267 CE LYS A 19 8.943 33.956 -2.108 1.00 0.00 C ATOM 268 NZ LYS A 19 8.651 35.237 -1.410 1.00 0.00 N ATOM 0 H LYS A 19 7.763 31.387 -4.572 1.00 0.00 H new ATOM 0 HA LYS A 19 8.345 28.938 -3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.333 31.077 -2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.104 29.917 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.944 31.196 -1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.079 31.489 -2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.025 33.095 -2.545 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.472 33.023 -0.852 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.902 33.567 -1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.037 34.139 -3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.328 35.963 -1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.684 35.544 -1.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.737 35.100 -0.383 1.00 0.00 H new ATOM 282 N MET A 20 5.237 29.346 -4.333 1.00 0.00 N ATOM 283 CA MET A 20 4.001 28.632 -4.632 1.00 0.00 C ATOM 284 C MET A 20 4.283 27.378 -5.453 1.00 0.00 C ATOM 285 O MET A 20 3.864 26.280 -5.087 1.00 0.00 O ATOM 286 CB MET A 20 3.032 29.544 -5.389 1.00 0.00 C ATOM 287 CG MET A 20 1.719 28.868 -5.750 1.00 0.00 C ATOM 288 SD MET A 20 0.407 30.050 -6.116 1.00 0.00 S ATOM 289 CE MET A 20 1.059 30.833 -7.589 1.00 0.00 C ATOM 0 H MET A 20 5.228 30.333 -4.592 1.00 0.00 H new ATOM 0 HA MET A 20 3.546 28.332 -3.688 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.823 30.424 -4.780 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.514 29.895 -6.302 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.873 28.223 -6.615 1.00 0.00 H new ATOM 0 HG3 MET A 20 1.406 28.227 -4.926 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.321 31.528 -7.989 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.971 31.376 -7.339 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.283 30.072 -8.337 1.00 0.00 H new ATOM 299 N GLN A 21 4.993 27.549 -6.563 1.00 0.00 N ATOM 300 CA GLN A 21 5.329 26.430 -7.435 1.00 0.00 C ATOM 301 C GLN A 21 6.160 25.390 -6.691 1.00 0.00 C ATOM 302 O GLN A 21 5.904 24.190 -6.789 1.00 0.00 O ATOM 303 CB GLN A 21 6.093 26.925 -8.664 1.00 0.00 C ATOM 304 CG GLN A 21 5.212 27.625 -9.686 1.00 0.00 C ATOM 305 CD GLN A 21 4.959 26.777 -10.917 1.00 0.00 C ATOM 306 OE1 GLN A 21 5.864 26.115 -11.426 1.00 0.00 O ATOM 307 NE2 GLN A 21 3.723 26.793 -11.404 1.00 0.00 N ATOM 0 H GLN A 21 5.347 28.452 -6.880 1.00 0.00 H new ATOM 0 HA GLN A 21 4.399 25.962 -7.758 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.877 27.610 -8.342 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.586 26.078 -9.141 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.259 27.881 -9.224 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.683 28.561 -9.985 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.003 27.356 -10.951 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.494 26.242 -12.231 1.00 0.00 H new ATOM 316 N ALA A 22 7.157 25.858 -5.946 1.00 0.00 N ATOM 317 CA ALA A 22 8.024 24.969 -5.184 1.00 0.00 C ATOM 318 C ALA A 22 7.220 24.132 -4.195 1.00 0.00 C ATOM 319 O ALA A 22 7.406 22.918 -4.098 1.00 0.00 O ATOM 320 CB ALA A 22 9.092 25.770 -4.454 1.00 0.00 C ATOM 0 H ALA A 22 7.384 26.848 -5.855 1.00 0.00 H new ATOM 0 HA ALA A 22 8.510 24.289 -5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.732 25.093 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.694 26.319 -5.178 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.616 26.473 -3.771 1.00 0.00 H new ATOM 326 N PHE A 23 6.326 24.788 -3.462 1.00 0.00 N ATOM 327 CA PHE A 23 5.495 24.104 -2.479 1.00 0.00 C ATOM 328 C PHE A 23 4.623 23.044 -3.146 1.00 0.00 C ATOM 329 O PHE A 23 4.518 21.916 -2.661 1.00 0.00 O ATOM 330 CB PHE A 23 4.613 25.111 -1.736 1.00 0.00 C ATOM 331 CG PHE A 23 5.225 25.618 -0.461 1.00 0.00 C ATOM 332 CD1 PHE A 23 6.506 26.147 -0.455 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.520 25.566 0.729 1.00 0.00 C ATOM 334 CE1 PHE A 23 7.071 26.614 0.716 1.00 0.00 C ATOM 335 CE2 PHE A 23 5.080 26.031 1.904 1.00 0.00 C ATOM 336 CZ PHE A 23 6.357 26.557 1.897 1.00 0.00 C ATOM 0 H PHE A 23 6.159 25.792 -3.530 1.00 0.00 H new ATOM 0 HA PHE A 23 6.154 23.611 -1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.408 25.957 -2.393 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.654 24.644 -1.509 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.069 26.195 -1.376 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.520 25.157 0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.070 27.023 0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.520 25.983 2.826 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.796 26.923 2.813 1.00 0.00 H new ATOM 346 N ILE A 24 4.001 23.414 -4.259 1.00 0.00 N ATOM 347 CA ILE A 24 3.140 22.495 -4.994 1.00 0.00 C ATOM 348 C ILE A 24 3.946 21.351 -5.599 1.00 0.00 C ATOM 349 O ILE A 24 3.437 20.242 -5.769 1.00 0.00 O ATOM 350 CB ILE A 24 2.373 23.218 -6.117 1.00 0.00 C ATOM 351 CG1 ILE A 24 1.523 24.350 -5.537 1.00 0.00 C ATOM 352 CG2 ILE A 24 1.503 22.233 -6.883 1.00 0.00 C ATOM 353 CD1 ILE A 24 1.109 25.381 -6.564 1.00 0.00 C ATOM 0 H ILE A 24 4.077 24.343 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 24 2.424 22.092 -4.277 1.00 0.00 H new ATOM 0 HB ILE A 24 3.095 23.650 -6.810 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.629 23.925 -5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.083 24.844 -4.743 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.967 22.759 -7.673 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.131 21.459 -7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.786 21.774 -6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.509 26.153 -6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.998 25.833 -7.004 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.521 24.900 -7.346 1.00 0.00 H new ATOM 365 N ARG A 25 5.206 21.626 -5.920 1.00 0.00 N ATOM 366 CA ARG A 25 6.082 20.620 -6.505 1.00 0.00 C ATOM 367 C ARG A 25 6.424 19.537 -5.486 1.00 0.00 C ATOM 368 O ARG A 25 6.323 18.344 -5.773 1.00 0.00 O ATOM 369 CB ARG A 25 7.366 21.270 -7.023 1.00 0.00 C ATOM 370 CG ARG A 25 7.682 20.930 -8.471 1.00 0.00 C ATOM 371 CD ARG A 25 7.744 22.178 -9.336 1.00 0.00 C ATOM 372 NE ARG A 25 9.050 22.827 -9.267 1.00 0.00 N ATOM 373 CZ ARG A 25 10.152 22.322 -9.811 1.00 0.00 C ATOM 374 NH1 ARG A 25 10.105 21.167 -10.461 1.00 0.00 N ATOM 375 NH2 ARG A 25 11.304 22.972 -9.705 1.00 0.00 N ATOM 0 H ARG A 25 5.643 22.538 -5.784 1.00 0.00 H new ATOM 0 HA ARG A 25 5.555 20.157 -7.339 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.281 22.352 -6.923 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.200 20.957 -6.395 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.635 20.403 -8.522 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.922 20.253 -8.861 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.525 21.913 -10.370 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.973 22.879 -9.016 1.00 0.00 H new ATOM 0 HE ARG A 25 9.120 23.717 -8.774 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.221 20.664 -10.544 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.952 20.781 -10.878 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.344 23.860 -9.205 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.149 22.583 -10.123 1.00 0.00 H new ATOM 389 N LYS A 26 6.829 19.961 -4.293 1.00 0.00 N ATOM 390 CA LYS A 26 7.184 19.029 -3.230 1.00 0.00 C ATOM 391 C LYS A 26 5.951 18.288 -2.720 1.00 0.00 C ATOM 392 O LYS A 26 6.009 17.094 -2.434 1.00 0.00 O ATOM 393 CB LYS A 26 7.858 19.773 -2.075 1.00 0.00 C ATOM 394 CG LYS A 26 8.470 18.854 -1.033 1.00 0.00 C ATOM 395 CD LYS A 26 9.349 19.621 -0.059 1.00 0.00 C ATOM 396 CE LYS A 26 9.409 18.936 1.297 1.00 0.00 C ATOM 397 NZ LYS A 26 9.069 19.870 2.406 1.00 0.00 N ATOM 0 H LYS A 26 6.919 20.945 -4.039 1.00 0.00 H new ATOM 0 HA LYS A 26 7.881 18.299 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.636 20.422 -2.477 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.124 20.418 -1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.677 18.345 -0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.061 18.084 -1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.356 19.709 -0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.964 20.634 0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.719 18.092 1.308 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.409 18.532 1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.121 19.365 3.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.743 20.662 2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.105 20.236 2.269 1.00 0.00 H new ATOM 411 N GLU A 27 4.838 19.007 -2.611 1.00 0.00 N ATOM 412 CA GLU A 27 3.593 18.417 -2.136 1.00 0.00 C ATOM 413 C GLU A 27 3.088 17.356 -3.110 1.00 0.00 C ATOM 414 O GLU A 27 2.725 16.251 -2.706 1.00 0.00 O ATOM 415 CB GLU A 27 2.528 19.500 -1.950 1.00 0.00 C ATOM 416 CG GLU A 27 1.451 19.127 -0.944 1.00 0.00 C ATOM 417 CD GLU A 27 0.182 18.626 -1.606 1.00 0.00 C ATOM 418 OE1 GLU A 27 0.244 17.587 -2.295 1.00 0.00 O ATOM 419 OE2 GLU A 27 -0.871 19.274 -1.437 1.00 0.00 O ATOM 0 H GLU A 27 4.774 19.998 -2.845 1.00 0.00 H new ATOM 0 HA GLU A 27 3.790 17.941 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.012 20.422 -1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.059 19.706 -2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.835 18.357 -0.275 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.217 19.996 -0.329 1.00 0.00 H new ATOM 426 N ALA A 28 3.068 17.699 -4.393 1.00 0.00 N ATOM 427 CA ALA A 28 2.610 16.777 -5.425 1.00 0.00 C ATOM 428 C ALA A 28 3.534 15.568 -5.528 1.00 0.00 C ATOM 429 O ALA A 28 3.073 14.427 -5.586 1.00 0.00 O ATOM 430 CB ALA A 28 2.517 17.488 -6.766 1.00 0.00 C ATOM 0 H ALA A 28 3.364 18.610 -4.743 1.00 0.00 H new ATOM 0 HA ALA A 28 1.618 16.422 -5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.174 16.787 -7.527 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.812 18.316 -6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.499 17.872 -7.043 1.00 0.00 H new ATOM 436 N GLU A 29 4.838 15.824 -5.551 1.00 0.00 N ATOM 437 CA GLU A 29 5.824 14.756 -5.650 1.00 0.00 C ATOM 438 C GLU A 29 5.797 13.873 -4.404 1.00 0.00 C ATOM 439 O GLU A 29 5.970 12.658 -4.488 1.00 0.00 O ATOM 440 CB GLU A 29 7.225 15.340 -5.844 1.00 0.00 C ATOM 441 CG GLU A 29 7.560 15.650 -7.293 1.00 0.00 C ATOM 442 CD GLU A 29 8.290 14.513 -7.979 1.00 0.00 C ATOM 443 OE1 GLU A 29 9.306 14.041 -7.425 1.00 0.00 O ATOM 444 OE2 GLU A 29 7.848 14.095 -9.070 1.00 0.00 O ATOM 0 H GLU A 29 5.236 16.762 -5.502 1.00 0.00 H new ATOM 0 HA GLU A 29 5.571 14.143 -6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.313 16.254 -5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.960 14.637 -5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.640 15.866 -7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.174 16.549 -7.336 1.00 0.00 H new ATOM 451 N GLU A 30 5.581 14.496 -3.251 1.00 0.00 N ATOM 452 CA GLU A 30 5.534 13.769 -1.988 1.00 0.00 C ATOM 453 C GLU A 30 4.325 12.838 -1.941 1.00 0.00 C ATOM 454 O GLU A 30 4.439 11.671 -1.566 1.00 0.00 O ATOM 455 CB GLU A 30 5.484 14.746 -0.811 1.00 0.00 C ATOM 456 CG GLU A 30 5.413 14.064 0.544 1.00 0.00 C ATOM 457 CD GLU A 30 6.046 14.891 1.646 1.00 0.00 C ATOM 458 OE1 GLU A 30 5.387 15.832 2.137 1.00 0.00 O ATOM 459 OE2 GLU A 30 7.201 14.595 2.021 1.00 0.00 O ATOM 0 H GLU A 30 5.436 15.502 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 30 6.439 13.167 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.368 15.384 -0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.617 15.397 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.370 13.869 0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.913 13.097 0.487 1.00 0.00 H new ATOM 466 N LYS A 31 3.167 13.364 -2.325 1.00 0.00 N ATOM 467 CA LYS A 31 1.935 12.582 -2.328 1.00 0.00 C ATOM 468 C LYS A 31 2.026 11.429 -3.323 1.00 0.00 C ATOM 469 O LYS A 31 1.691 10.290 -3.000 1.00 0.00 O ATOM 470 CB LYS A 31 0.741 13.475 -2.673 1.00 0.00 C ATOM 471 CG LYS A 31 -0.575 12.723 -2.763 1.00 0.00 C ATOM 472 CD LYS A 31 -1.677 13.594 -3.342 1.00 0.00 C ATOM 473 CE LYS A 31 -2.954 12.799 -3.571 1.00 0.00 C ATOM 474 NZ LYS A 31 -3.929 13.547 -4.411 1.00 0.00 N ATOM 0 H LYS A 31 3.055 14.328 -2.638 1.00 0.00 H new ATOM 0 HA LYS A 31 1.794 12.167 -1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.652 14.256 -1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.932 13.971 -3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.447 11.836 -3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.866 12.378 -1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.880 14.424 -2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.343 14.027 -4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.711 11.852 -4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.410 12.560 -2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.785 12.972 -4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.181 14.439 -3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.503 13.753 -5.337 1.00 0.00 H new ATOM 488 N ALA A 32 2.482 11.733 -4.534 1.00 0.00 N ATOM 489 CA ALA A 32 2.619 10.720 -5.574 1.00 0.00 C ATOM 490 C ALA A 32 3.582 9.618 -5.144 1.00 0.00 C ATOM 491 O ALA A 32 3.294 8.432 -5.300 1.00 0.00 O ATOM 492 CB ALA A 32 3.090 11.359 -6.872 1.00 0.00 C ATOM 0 H ALA A 32 2.763 12.671 -4.819 1.00 0.00 H new ATOM 0 HA ALA A 32 1.641 10.267 -5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.188 10.592 -7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.364 12.105 -7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.056 11.838 -6.712 1.00 0.00 H new ATOM 498 N LYS A 33 4.728 10.018 -4.602 1.00 0.00 N ATOM 499 CA LYS A 33 5.734 9.065 -4.149 1.00 0.00 C ATOM 500 C LYS A 33 5.219 8.251 -2.966 1.00 0.00 C ATOM 501 O LYS A 33 5.511 7.063 -2.846 1.00 0.00 O ATOM 502 CB LYS A 33 7.019 9.798 -3.756 1.00 0.00 C ATOM 503 CG LYS A 33 8.085 8.886 -3.175 1.00 0.00 C ATOM 504 CD LYS A 33 9.375 9.640 -2.898 1.00 0.00 C ATOM 505 CE LYS A 33 10.593 8.750 -3.080 1.00 0.00 C ATOM 506 NZ LYS A 33 11.021 8.124 -1.799 1.00 0.00 N ATOM 0 H LYS A 33 4.983 10.996 -4.466 1.00 0.00 H new ATOM 0 HA LYS A 33 5.948 8.382 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.423 10.302 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.778 10.572 -3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.718 8.439 -2.251 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.282 8.068 -3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.447 10.497 -3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.358 10.030 -1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.367 7.970 -3.807 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.415 9.338 -3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.854 7.525 -1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.261 8.867 -1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.247 7.542 -1.421 1.00 0.00 H new ATOM 520 N GLU A 34 4.449 8.900 -2.098 1.00 0.00 N ATOM 521 CA GLU A 34 3.893 8.234 -0.925 1.00 0.00 C ATOM 522 C GLU A 34 2.930 7.123 -1.337 1.00 0.00 C ATOM 523 O GLU A 34 3.008 6.002 -0.833 1.00 0.00 O ATOM 524 CB GLU A 34 3.171 9.245 -0.032 1.00 0.00 C ATOM 525 CG GLU A 34 2.753 8.678 1.314 1.00 0.00 C ATOM 526 CD GLU A 34 3.912 8.565 2.286 1.00 0.00 C ATOM 527 OE1 GLU A 34 5.063 8.807 1.864 1.00 0.00 O ATOM 528 OE2 GLU A 34 3.670 8.235 3.465 1.00 0.00 O ATOM 0 H GLU A 34 4.196 9.884 -2.184 1.00 0.00 H new ATOM 0 HA GLU A 34 4.716 7.789 -0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.823 10.103 0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.286 9.611 -0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.981 9.314 1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.310 7.693 1.167 1.00 0.00 H new ATOM 535 N ILE A 35 2.023 7.444 -2.253 1.00 0.00 N ATOM 536 CA ILE A 35 1.046 6.474 -2.732 1.00 0.00 C ATOM 537 C ILE A 35 1.710 5.400 -3.585 1.00 0.00 C ATOM 538 O ILE A 35 1.296 4.241 -3.574 1.00 0.00 O ATOM 539 CB ILE A 35 -0.065 7.154 -3.555 1.00 0.00 C ATOM 540 CG1 ILE A 35 -0.775 8.217 -2.715 1.00 0.00 C ATOM 541 CG2 ILE A 35 -1.059 6.118 -4.060 1.00 0.00 C ATOM 542 CD1 ILE A 35 -1.508 7.651 -1.519 1.00 0.00 C ATOM 0 H ILE A 35 1.944 8.368 -2.678 1.00 0.00 H new ATOM 0 HA ILE A 35 0.603 6.011 -1.850 1.00 0.00 H new ATOM 0 HB ILE A 35 0.389 7.644 -4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.041 8.946 -2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.484 8.753 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.838 6.613 -4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.542 5.395 -4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.510 5.603 -3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.988 8.461 -0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.265 6.944 -1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.800 7.140 -0.867 1.00 0.00 H new ATOM 554 N GLN A 36 2.745 5.792 -4.322 1.00 0.00 N ATOM 555 CA GLN A 36 3.467 4.862 -5.181 1.00 0.00 C ATOM 556 C GLN A 36 4.276 3.871 -4.350 1.00 0.00 C ATOM 557 O GLN A 36 4.243 2.664 -4.597 1.00 0.00 O ATOM 558 CB GLN A 36 4.393 5.624 -6.130 1.00 0.00 C ATOM 559 CG GLN A 36 5.080 4.735 -7.154 1.00 0.00 C ATOM 560 CD GLN A 36 6.403 5.306 -7.628 1.00 0.00 C ATOM 561 OE1 GLN A 36 6.554 5.668 -8.795 1.00 0.00 O ATOM 562 NE2 GLN A 36 7.370 5.389 -6.723 1.00 0.00 N ATOM 0 H GLN A 36 3.102 6.747 -4.341 1.00 0.00 H new ATOM 0 HA GLN A 36 2.736 4.306 -5.768 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.816 6.387 -6.652 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.152 6.143 -5.545 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.249 3.750 -6.719 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.420 4.597 -8.011 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.201 5.077 -5.767 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.282 5.765 -6.984 1.00 0.00 H new ATOM 571 N LEU A 37 5.003 4.387 -3.365 1.00 0.00 N ATOM 572 CA LEU A 37 5.821 3.547 -2.497 1.00 0.00 C ATOM 573 C LEU A 37 4.948 2.711 -1.568 1.00 0.00 C ATOM 574 O LEU A 37 5.294 1.580 -1.223 1.00 0.00 O ATOM 575 CB LEU A 37 6.779 4.411 -1.674 1.00 0.00 C ATOM 576 CG LEU A 37 6.195 5.045 -0.412 1.00 0.00 C ATOM 577 CD1 LEU A 37 6.353 4.110 0.777 1.00 0.00 C ATOM 578 CD2 LEU A 37 6.860 6.385 -0.131 1.00 0.00 C ATOM 0 H LEU A 37 5.043 5.383 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 37 6.400 2.872 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.633 3.798 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.159 5.207 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 37 5.131 5.217 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.932 4.578 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.830 3.175 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.411 3.906 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.432 6.822 0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.931 6.237 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.695 7.057 -0.973 1.00 0.00 H new ATOM 590 N LYS A 38 3.813 3.272 -1.166 1.00 0.00 N ATOM 591 CA LYS A 38 2.886 2.578 -0.280 1.00 0.00 C ATOM 592 C LYS A 38 2.209 1.416 -1.001 1.00 0.00 C ATOM 593 O LYS A 38 2.141 0.304 -0.479 1.00 0.00 O ATOM 594 CB LYS A 38 1.829 3.550 0.249 1.00 0.00 C ATOM 595 CG LYS A 38 2.291 4.357 1.450 1.00 0.00 C ATOM 596 CD LYS A 38 1.599 3.905 2.725 1.00 0.00 C ATOM 597 CE LYS A 38 2.400 2.829 3.442 1.00 0.00 C ATOM 598 NZ LYS A 38 1.596 2.148 4.495 1.00 0.00 N ATOM 0 H LYS A 38 3.512 4.207 -1.440 1.00 0.00 H new ATOM 0 HA LYS A 38 3.456 2.179 0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.545 4.234 -0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.935 2.989 0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.370 4.255 1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.087 5.414 1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.460 4.759 3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.607 3.523 2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.748 2.092 2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.286 3.276 3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.177 1.422 4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.285 2.846 5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.764 1.700 4.061 1.00 0.00 H new ATOM 612 N ALA A 39 1.712 1.683 -2.205 1.00 0.00 N ATOM 613 CA ALA A 39 1.044 0.660 -2.998 1.00 0.00 C ATOM 614 C ALA A 39 2.027 -0.418 -3.445 1.00 0.00 C ATOM 615 O ALA A 39 1.732 -1.611 -3.369 1.00 0.00 O ATOM 616 CB ALA A 39 0.363 1.288 -4.206 1.00 0.00 C ATOM 0 H ALA A 39 1.760 2.599 -2.651 1.00 0.00 H new ATOM 0 HA ALA A 39 0.287 0.188 -2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.132 0.511 -4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.376 2.016 -3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.108 1.787 -4.825 1.00 0.00 H new ATOM 622 N ASP A 40 3.196 0.010 -3.909 1.00 0.00 N ATOM 623 CA ASP A 40 4.222 -0.919 -4.367 1.00 0.00 C ATOM 624 C ASP A 40 4.725 -1.784 -3.215 1.00 0.00 C ATOM 625 O ASP A 40 4.909 -2.991 -3.369 1.00 0.00 O ATOM 626 CB ASP A 40 5.389 -0.154 -4.994 1.00 0.00 C ATOM 627 CG ASP A 40 6.449 -1.077 -5.562 1.00 0.00 C ATOM 628 OD1 ASP A 40 7.371 -1.454 -4.809 1.00 0.00 O ATOM 629 OD2 ASP A 40 6.356 -1.422 -6.758 1.00 0.00 O ATOM 0 H ASP A 40 3.456 0.994 -3.978 1.00 0.00 H new ATOM 0 HA ASP A 40 3.778 -1.570 -5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.012 0.492 -5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.840 0.494 -4.242 1.00 0.00 H new ATOM 634 N GLN A 41 4.947 -1.157 -2.065 1.00 0.00 N ATOM 635 CA GLN A 41 5.430 -1.871 -0.888 1.00 0.00 C ATOM 636 C GLN A 41 4.396 -2.880 -0.401 1.00 0.00 C ATOM 637 O GLN A 41 4.731 -4.020 -0.083 1.00 0.00 O ATOM 638 CB GLN A 41 5.764 -0.883 0.232 1.00 0.00 C ATOM 639 CG GLN A 41 6.425 -1.531 1.437 1.00 0.00 C ATOM 640 CD GLN A 41 7.572 -0.707 1.986 1.00 0.00 C ATOM 641 OE1 GLN A 41 8.737 -1.098 1.884 1.00 0.00 O ATOM 642 NE2 GLN A 41 7.252 0.439 2.573 1.00 0.00 N ATOM 0 H GLN A 41 4.801 -0.158 -1.922 1.00 0.00 H new ATOM 0 HA GLN A 41 6.334 -2.412 -1.167 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.424 -0.110 -0.162 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.848 -0.387 0.553 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.681 -1.678 2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.793 -2.518 1.158 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.275 0.724 2.636 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.983 1.035 2.962 1.00 0.00 H new ATOM 651 N GLU A 42 3.139 -2.452 -0.345 1.00 0.00 N ATOM 652 CA GLU A 42 2.056 -3.320 0.107 1.00 0.00 C ATOM 653 C GLU A 42 1.800 -4.436 -0.902 1.00 0.00 C ATOM 654 O GLU A 42 1.422 -5.547 -0.529 1.00 0.00 O ATOM 655 CB GLU A 42 0.778 -2.507 0.321 1.00 0.00 C ATOM 656 CG GLU A 42 -0.394 -3.337 0.817 1.00 0.00 C ATOM 657 CD GLU A 42 -1.533 -3.393 -0.183 1.00 0.00 C ATOM 658 OE1 GLU A 42 -1.306 -3.870 -1.315 1.00 0.00 O ATOM 659 OE2 GLU A 42 -2.652 -2.963 0.167 1.00 0.00 O ATOM 0 H GLU A 42 2.845 -1.511 -0.606 1.00 0.00 H new ATOM 0 HA GLU A 42 2.354 -3.770 1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.979 -1.712 1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.501 -2.027 -0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.053 -4.350 1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.759 -2.919 1.755 1.00 0.00 H new ATOM 666 N TYR A 43 2.006 -4.132 -2.177 1.00 0.00 N ATOM 667 CA TYR A 43 1.793 -5.108 -3.240 1.00 0.00 C ATOM 668 C TYR A 43 2.857 -6.201 -3.195 1.00 0.00 C ATOM 669 O TYR A 43 2.550 -7.385 -3.334 1.00 0.00 O ATOM 670 CB TYR A 43 1.811 -4.419 -4.606 1.00 0.00 C ATOM 671 CG TYR A 43 0.433 -4.095 -5.138 1.00 0.00 C ATOM 672 CD1 TYR A 43 -0.540 -5.081 -5.248 1.00 0.00 C ATOM 673 CD2 TYR A 43 0.104 -2.803 -5.531 1.00 0.00 C ATOM 674 CE1 TYR A 43 -1.800 -4.790 -5.735 1.00 0.00 C ATOM 675 CE2 TYR A 43 -1.153 -2.503 -6.018 1.00 0.00 C ATOM 676 CZ TYR A 43 -2.102 -3.499 -6.117 1.00 0.00 C ATOM 677 OH TYR A 43 -3.355 -3.204 -6.602 1.00 0.00 O ATOM 0 H TYR A 43 2.320 -3.217 -2.501 1.00 0.00 H new ATOM 0 HA TYR A 43 0.817 -5.568 -3.086 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.389 -3.498 -4.531 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.326 -5.061 -5.321 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.307 -6.092 -4.948 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.844 -2.020 -5.454 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.544 -5.569 -5.816 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.392 -1.494 -6.320 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.404 -2.251 -6.824 1.00 0.00 H new ATOM 687 N GLU A 44 4.107 -5.794 -3.001 1.00 0.00 N ATOM 688 CA GLU A 44 5.216 -6.739 -2.939 1.00 0.00 C ATOM 689 C GLU A 44 5.129 -7.597 -1.681 1.00 0.00 C ATOM 690 O GLU A 44 5.260 -8.820 -1.740 1.00 0.00 O ATOM 691 CB GLU A 44 6.552 -5.992 -2.969 1.00 0.00 C ATOM 692 CG GLU A 44 7.703 -6.826 -3.509 1.00 0.00 C ATOM 693 CD GLU A 44 8.597 -6.045 -4.451 1.00 0.00 C ATOM 694 OE1 GLU A 44 9.341 -5.164 -3.970 1.00 0.00 O ATOM 695 OE2 GLU A 44 8.554 -6.315 -5.669 1.00 0.00 O ATOM 0 H GLU A 44 4.377 -4.817 -2.884 1.00 0.00 H new ATOM 0 HA GLU A 44 5.153 -7.393 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.445 -5.097 -3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.796 -5.661 -1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.298 -7.200 -2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.303 -7.696 -4.031 1.00 0.00 H new ATOM 702 N ILE A 45 4.909 -6.949 -0.542 1.00 0.00 N ATOM 703 CA ILE A 45 4.804 -7.652 0.730 1.00 0.00 C ATOM 704 C ILE A 45 3.618 -8.610 0.733 1.00 0.00 C ATOM 705 O ILE A 45 3.732 -9.754 1.168 1.00 0.00 O ATOM 706 CB ILE A 45 4.659 -6.669 1.907 1.00 0.00 C ATOM 707 CG1 ILE A 45 5.864 -5.729 1.966 1.00 0.00 C ATOM 708 CG2 ILE A 45 4.508 -7.429 3.217 1.00 0.00 C ATOM 709 CD1 ILE A 45 5.586 -4.435 2.699 1.00 0.00 C ATOM 0 H ILE A 45 4.800 -5.937 -0.474 1.00 0.00 H new ATOM 0 HA ILE A 45 5.726 -8.220 0.853 1.00 0.00 H new ATOM 0 HB ILE A 45 3.762 -6.070 1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.692 -6.243 2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.186 -5.500 0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.407 -6.720 4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.621 -8.061 3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.388 -8.051 3.380 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.485 -3.818 2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.779 -3.899 2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.293 -4.654 3.726 1.00 0.00 H new ATOM 721 N GLU A 46 2.478 -8.131 0.243 1.00 0.00 N ATOM 722 CA GLU A 46 1.269 -8.947 0.187 1.00 0.00 C ATOM 723 C GLU A 46 1.464 -10.147 -0.734 1.00 0.00 C ATOM 724 O GLU A 46 1.139 -11.280 -0.375 1.00 0.00 O ATOM 725 CB GLU A 46 0.083 -8.108 -0.293 1.00 0.00 C ATOM 726 CG GLU A 46 -1.209 -8.898 -0.423 1.00 0.00 C ATOM 727 CD GLU A 46 -2.328 -8.329 0.426 1.00 0.00 C ATOM 728 OE1 GLU A 46 -3.065 -7.453 -0.071 1.00 0.00 O ATOM 729 OE2 GLU A 46 -2.467 -8.761 1.590 1.00 0.00 O ATOM 0 H GLU A 46 2.366 -7.184 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 46 1.062 -9.314 1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.073 -7.284 0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.328 -7.667 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.520 -8.909 -1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.028 -9.933 -0.133 1.00 0.00 H new ATOM 736 N LYS A 47 1.997 -9.891 -1.924 1.00 0.00 N ATOM 737 CA LYS A 47 2.237 -10.949 -2.898 1.00 0.00 C ATOM 738 C LYS A 47 3.247 -11.960 -2.366 1.00 0.00 C ATOM 739 O LYS A 47 3.030 -13.171 -2.441 1.00 0.00 O ATOM 740 CB LYS A 47 2.740 -10.354 -4.215 1.00 0.00 C ATOM 741 CG LYS A 47 3.083 -11.398 -5.263 1.00 0.00 C ATOM 742 CD LYS A 47 1.848 -12.161 -5.715 1.00 0.00 C ATOM 743 CE LYS A 47 2.129 -12.989 -6.959 1.00 0.00 C ATOM 744 NZ LYS A 47 0.983 -13.875 -7.306 1.00 0.00 N ATOM 0 H LYS A 47 2.271 -8.960 -2.237 1.00 0.00 H new ATOM 0 HA LYS A 47 1.293 -11.465 -3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.978 -9.685 -4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.624 -9.748 -4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.547 -10.914 -6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.815 -12.096 -4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.508 -12.814 -4.911 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.040 -11.459 -5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.341 -12.325 -7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.021 -13.595 -6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.214 -14.423 -8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.796 -14.526 -6.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.138 -13.296 -7.484 1.00 0.00 H new ATOM 758 N THR A 48 4.354 -11.457 -1.828 1.00 0.00 N ATOM 759 CA THR A 48 5.399 -12.315 -1.284 1.00 0.00 C ATOM 760 C THR A 48 4.886 -13.117 -0.093 1.00 0.00 C ATOM 761 O THR A 48 5.307 -14.250 0.132 1.00 0.00 O ATOM 762 CB THR A 48 6.627 -11.497 -0.846 1.00 0.00 C ATOM 763 OG1 THR A 48 7.142 -10.753 -1.955 1.00 0.00 O ATOM 764 CG2 THR A 48 7.714 -12.406 -0.291 1.00 0.00 C ATOM 0 H THR A 48 4.550 -10.458 -1.758 1.00 0.00 H new ATOM 0 HA THR A 48 5.693 -12.999 -2.081 1.00 0.00 H new ATOM 0 HB THR A 48 6.315 -10.809 -0.061 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.605 -9.943 -2.083 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.571 -11.805 0.012 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.329 -12.949 0.572 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.022 -13.116 -1.059 1.00 0.00 H new ATOM 772 N ASN A 49 3.972 -12.521 0.667 1.00 0.00 N ATOM 773 CA ASN A 49 3.401 -13.181 1.835 1.00 0.00 C ATOM 774 C ASN A 49 2.507 -14.345 1.419 1.00 0.00 C ATOM 775 O ASN A 49 2.641 -15.458 1.931 1.00 0.00 O ATOM 776 CB ASN A 49 2.599 -12.182 2.670 1.00 0.00 C ATOM 777 CG ASN A 49 3.474 -11.399 3.632 1.00 0.00 C ATOM 778 OD1 ASN A 49 4.691 -11.581 3.669 1.00 0.00 O ATOM 779 ND2 ASN A 49 2.855 -10.523 4.414 1.00 0.00 N ATOM 0 H ASN A 49 3.611 -11.583 0.495 1.00 0.00 H new ATOM 0 HA ASN A 49 4.221 -13.572 2.437 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.083 -11.489 2.006 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.832 -12.715 3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.391 -9.967 5.081 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.844 -10.406 4.348 1.00 0.00 H new ATOM 786 N ILE A 50 1.595 -14.081 0.490 1.00 0.00 N ATOM 787 CA ILE A 50 0.680 -15.107 0.004 1.00 0.00 C ATOM 788 C ILE A 50 1.439 -16.252 -0.658 1.00 0.00 C ATOM 789 O ILE A 50 1.152 -17.425 -0.414 1.00 0.00 O ATOM 790 CB ILE A 50 -0.332 -14.529 -1.002 1.00 0.00 C ATOM 791 CG1 ILE A 50 -1.138 -13.399 -0.355 1.00 0.00 C ATOM 792 CG2 ILE A 50 -1.259 -15.623 -1.510 1.00 0.00 C ATOM 793 CD1 ILE A 50 -1.816 -12.491 -1.357 1.00 0.00 C ATOM 0 H ILE A 50 1.470 -13.165 0.058 1.00 0.00 H new ATOM 0 HA ILE A 50 0.141 -15.485 0.873 1.00 0.00 H new ATOM 0 HB ILE A 50 0.216 -14.121 -1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.894 -13.832 0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.475 -12.804 0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.968 -15.198 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.672 -16.398 -2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.802 -16.058 -0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.368 -11.714 -0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.064 -12.030 -1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.505 -13.074 -1.968 1.00 0.00 H new ATOM 805 N VAL A 51 2.412 -15.905 -1.495 1.00 0.00 N ATOM 806 CA VAL A 51 3.215 -16.904 -2.190 1.00 0.00 C ATOM 807 C VAL A 51 4.079 -17.692 -1.211 1.00 0.00 C ATOM 808 O VAL A 51 4.242 -18.904 -1.349 1.00 0.00 O ATOM 809 CB VAL A 51 4.123 -16.254 -3.252 1.00 0.00 C ATOM 810 CG1 VAL A 51 4.979 -17.307 -3.938 1.00 0.00 C ATOM 811 CG2 VAL A 51 3.289 -15.487 -4.267 1.00 0.00 C ATOM 0 H VAL A 51 2.663 -14.940 -1.708 1.00 0.00 H new ATOM 0 HA VAL A 51 2.519 -17.583 -2.684 1.00 0.00 H new ATOM 0 HB VAL A 51 4.788 -15.548 -2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.614 -16.830 -4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.603 -17.807 -3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.335 -18.040 -4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.946 -15.034 -5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.599 -16.170 -4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.724 -14.706 -3.758 1.00 0.00 H new ATOM 821 N ARG A 52 4.631 -16.994 -0.224 1.00 0.00 N ATOM 822 CA ARG A 52 5.480 -17.629 0.777 1.00 0.00 C ATOM 823 C ARG A 52 4.673 -18.594 1.640 1.00 0.00 C ATOM 824 O ARG A 52 5.121 -19.701 1.936 1.00 0.00 O ATOM 825 CB ARG A 52 6.141 -16.570 1.661 1.00 0.00 C ATOM 826 CG ARG A 52 6.994 -17.152 2.776 1.00 0.00 C ATOM 827 CD ARG A 52 7.582 -16.061 3.656 1.00 0.00 C ATOM 828 NE ARG A 52 8.567 -16.588 4.598 1.00 0.00 N ATOM 829 CZ ARG A 52 9.809 -16.912 4.258 1.00 0.00 C ATOM 830 NH1 ARG A 52 10.216 -16.763 3.004 1.00 0.00 N ATOM 831 NH2 ARG A 52 10.647 -17.385 5.170 1.00 0.00 N ATOM 0 H ARG A 52 4.506 -15.990 -0.096 1.00 0.00 H new ATOM 0 HA ARG A 52 6.254 -18.193 0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.762 -15.926 1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.367 -15.940 2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.390 -17.825 3.384 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.799 -17.748 2.346 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.050 -15.302 3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.781 -15.569 4.207 1.00 0.00 H new ATOM 0 HE ARG A 52 8.285 -16.714 5.570 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.574 -16.399 2.299 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.170 -17.012 2.745 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.338 -17.501 6.135 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.601 -17.633 4.906 1.00 0.00 H new ATOM 845 N ASN A 53 3.481 -18.167 2.042 1.00 0.00 N ATOM 846 CA ASN A 53 2.612 -18.993 2.872 1.00 0.00 C ATOM 847 C ASN A 53 2.153 -20.233 2.113 1.00 0.00 C ATOM 848 O ASN A 53 2.236 -21.351 2.623 1.00 0.00 O ATOM 849 CB ASN A 53 1.397 -18.186 3.336 1.00 0.00 C ATOM 850 CG ASN A 53 1.293 -18.111 4.846 1.00 0.00 C ATOM 851 OD1 ASN A 53 1.140 -17.030 5.416 1.00 0.00 O ATOM 852 ND2 ASN A 53 1.379 -19.262 5.502 1.00 0.00 N ATOM 0 H ASN A 53 3.094 -17.253 1.806 1.00 0.00 H new ATOM 0 HA ASN A 53 3.182 -19.313 3.744 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.458 -17.177 2.929 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.490 -18.638 2.934 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.318 -19.275 6.520 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.506 -20.134 4.988 1.00 0.00 H new ATOM 859 N GLU A 54 1.670 -20.028 0.891 1.00 0.00 N ATOM 860 CA GLU A 54 1.199 -21.132 0.062 1.00 0.00 C ATOM 861 C GLU A 54 2.337 -22.098 -0.256 1.00 0.00 C ATOM 862 O GLU A 54 2.190 -23.313 -0.122 1.00 0.00 O ATOM 863 CB GLU A 54 0.591 -20.598 -1.237 1.00 0.00 C ATOM 864 CG GLU A 54 -0.586 -21.418 -1.740 1.00 0.00 C ATOM 865 CD GLU A 54 -1.915 -20.718 -1.534 1.00 0.00 C ATOM 866 OE1 GLU A 54 -2.007 -19.876 -0.617 1.00 0.00 O ATOM 867 OE2 GLU A 54 -2.862 -21.012 -2.292 1.00 0.00 O ATOM 0 H GLU A 54 1.595 -19.109 0.454 1.00 0.00 H new ATOM 0 HA GLU A 54 0.433 -21.671 0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.266 -19.569 -1.080 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.362 -20.575 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.451 -21.628 -2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.602 -22.378 -1.225 1.00 0.00 H new ATOM 874 N THR A 55 3.471 -21.550 -0.678 1.00 0.00 N ATOM 875 CA THR A 55 4.633 -22.362 -1.017 1.00 0.00 C ATOM 876 C THR A 55 5.161 -23.103 0.206 1.00 0.00 C ATOM 877 O THR A 55 5.481 -24.288 0.135 1.00 0.00 O ATOM 878 CB THR A 55 5.765 -21.503 -1.611 1.00 0.00 C ATOM 879 OG1 THR A 55 5.313 -20.854 -2.804 1.00 0.00 O ATOM 880 CG2 THR A 55 6.985 -22.356 -1.923 1.00 0.00 C ATOM 0 H THR A 55 3.610 -20.546 -0.793 1.00 0.00 H new ATOM 0 HA THR A 55 4.306 -23.085 -1.764 1.00 0.00 H new ATOM 0 HB THR A 55 6.046 -20.751 -0.873 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.893 -19.999 -2.572 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.771 -21.727 -2.341 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.345 -22.825 -1.007 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.715 -23.127 -2.644 1.00 0.00 H new ATOM 888 N ASN A 56 5.250 -22.396 1.328 1.00 0.00 N ATOM 889 CA ASN A 56 5.740 -22.988 2.568 1.00 0.00 C ATOM 890 C ASN A 56 4.815 -24.106 3.039 1.00 0.00 C ATOM 891 O ASN A 56 5.270 -25.120 3.567 1.00 0.00 O ATOM 892 CB ASN A 56 5.861 -21.918 3.655 1.00 0.00 C ATOM 893 CG ASN A 56 5.960 -22.515 5.046 1.00 0.00 C ATOM 894 OD1 ASN A 56 7.042 -22.886 5.498 1.00 0.00 O ATOM 895 ND2 ASN A 56 4.825 -22.612 5.729 1.00 0.00 N ATOM 0 H ASN A 56 4.989 -21.413 1.404 1.00 0.00 H new ATOM 0 HA ASN A 56 6.725 -23.413 2.375 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.742 -21.306 3.462 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.996 -21.256 3.607 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.828 -23.007 6.669 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.951 -22.291 5.313 1.00 0.00 H new ATOM 902 N ASN A 57 3.514 -23.912 2.844 1.00 0.00 N ATOM 903 CA ASN A 57 2.525 -24.905 3.249 1.00 0.00 C ATOM 904 C ASN A 57 2.647 -26.170 2.406 1.00 0.00 C ATOM 905 O ASN A 57 2.785 -27.272 2.938 1.00 0.00 O ATOM 906 CB ASN A 57 1.114 -24.328 3.123 1.00 0.00 C ATOM 907 CG ASN A 57 0.129 -25.002 4.060 1.00 0.00 C ATOM 908 OD1 ASN A 57 -0.205 -26.174 3.890 1.00 0.00 O ATOM 909 ND2 ASN A 57 -0.342 -24.259 5.056 1.00 0.00 N ATOM 0 H ASN A 57 3.121 -23.078 2.409 1.00 0.00 H new ATOM 0 HA ASN A 57 2.713 -25.166 4.291 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.141 -23.259 3.336 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.769 -24.440 2.095 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.008 -24.657 5.718 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.037 -23.291 5.159 1.00 0.00 H new ATOM 916 N ILE A 58 2.596 -26.004 1.088 1.00 0.00 N ATOM 917 CA ILE A 58 2.703 -27.133 0.173 1.00 0.00 C ATOM 918 C ILE A 58 4.063 -27.812 0.293 1.00 0.00 C ATOM 919 O ILE A 58 4.154 -29.040 0.315 1.00 0.00 O ATOM 920 CB ILE A 58 2.489 -26.693 -1.288 1.00 0.00 C ATOM 921 CG1 ILE A 58 1.118 -26.036 -1.451 1.00 0.00 C ATOM 922 CG2 ILE A 58 2.626 -27.885 -2.224 1.00 0.00 C ATOM 923 CD1 ILE A 58 -0.037 -26.969 -1.163 1.00 0.00 C ATOM 0 H ILE A 58 2.481 -25.099 0.631 1.00 0.00 H new ATOM 0 HA ILE A 58 1.922 -27.840 0.451 1.00 0.00 H new ATOM 0 HB ILE A 58 3.254 -25.961 -1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.055 -25.176 -0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.024 -25.658 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.472 -27.559 -3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.623 -28.313 -2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.881 -28.637 -1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.978 -26.436 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.001 -27.817 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.032 -27.328 -0.136 1.00 0.00 H new ATOM 935 N ASP A 59 5.116 -27.007 0.374 1.00 0.00 N ATOM 936 CA ASP A 59 6.471 -27.531 0.496 1.00 0.00 C ATOM 937 C ASP A 59 6.662 -28.235 1.835 1.00 0.00 C ATOM 938 O ASP A 59 7.309 -29.279 1.912 1.00 0.00 O ATOM 939 CB ASP A 59 7.492 -26.401 0.348 1.00 0.00 C ATOM 940 CG ASP A 59 8.922 -26.904 0.389 1.00 0.00 C ATOM 941 OD1 ASP A 59 9.313 -27.652 -0.531 1.00 0.00 O ATOM 942 OD2 ASP A 59 9.649 -26.550 1.341 1.00 0.00 O ATOM 0 H ASP A 59 5.057 -25.989 0.357 1.00 0.00 H new ATOM 0 HA ASP A 59 6.627 -28.258 -0.301 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.320 -25.881 -0.594 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.343 -25.673 1.146 1.00 0.00 H new ATOM 947 N GLY A 60 6.098 -27.655 2.889 1.00 0.00 N ATOM 948 CA GLY A 60 6.219 -28.240 4.212 1.00 0.00 C ATOM 949 C GLY A 60 5.472 -29.553 4.336 1.00 0.00 C ATOM 950 O GLY A 60 5.942 -30.483 4.989 1.00 0.00 O ATOM 0 H GLY A 60 5.559 -26.790 2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.273 -28.402 4.439 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.838 -27.537 4.953 1.00 0.00 H new ATOM 954 N ASN A 61 4.303 -29.629 3.707 1.00 0.00 N ATOM 955 CA ASN A 61 3.488 -30.838 3.751 1.00 0.00 C ATOM 956 C ASN A 61 4.121 -31.951 2.923 1.00 0.00 C ATOM 957 O ASN A 61 4.215 -33.095 3.370 1.00 0.00 O ATOM 958 CB ASN A 61 2.077 -30.545 3.238 1.00 0.00 C ATOM 959 CG ASN A 61 1.145 -31.730 3.401 1.00 0.00 C ATOM 960 OD1 ASN A 61 1.513 -32.746 3.990 1.00 0.00 O ATOM 961 ND2 ASN A 61 -0.069 -31.604 2.878 1.00 0.00 N ATOM 0 H ASN A 61 3.899 -28.868 3.161 1.00 0.00 H new ATOM 0 HA ASN A 61 3.429 -31.169 4.788 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.669 -29.689 3.775 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.126 -30.267 2.185 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.740 -32.368 2.956 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.331 -30.743 2.398 1.00 0.00 H new ATOM 968 N PHE A 62 4.556 -31.610 1.715 1.00 0.00 N ATOM 969 CA PHE A 62 5.180 -32.580 0.824 1.00 0.00 C ATOM 970 C PHE A 62 6.509 -33.065 1.394 1.00 0.00 C ATOM 971 O PHE A 62 6.831 -34.252 1.327 1.00 0.00 O ATOM 972 CB PHE A 62 5.399 -31.967 -0.560 1.00 0.00 C ATOM 973 CG PHE A 62 4.175 -31.995 -1.429 1.00 0.00 C ATOM 974 CD1 PHE A 62 2.986 -31.432 -0.993 1.00 0.00 C ATOM 975 CD2 PHE A 62 4.212 -32.583 -2.683 1.00 0.00 C ATOM 976 CE1 PHE A 62 1.858 -31.457 -1.791 1.00 0.00 C ATOM 977 CE2 PHE A 62 3.087 -32.611 -3.486 1.00 0.00 C ATOM 978 CZ PHE A 62 1.908 -32.046 -3.039 1.00 0.00 C ATOM 0 H PHE A 62 4.488 -30.668 1.330 1.00 0.00 H new ATOM 0 HA PHE A 62 4.510 -33.435 0.732 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.728 -30.934 -0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.204 -32.503 -1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.940 -30.968 -0.019 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.131 -33.025 -3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.937 -31.016 -1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.130 -33.074 -4.461 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.028 -32.065 -3.664 1.00 0.00 H new ATOM 988 N LYS A 63 7.280 -32.139 1.955 1.00 0.00 N ATOM 989 CA LYS A 63 8.574 -32.470 2.537 1.00 0.00 C ATOM 990 C LYS A 63 8.403 -33.294 3.809 1.00 0.00 C ATOM 991 O LYS A 63 9.123 -34.267 4.031 1.00 0.00 O ATOM 992 CB LYS A 63 9.359 -31.193 2.846 1.00 0.00 C ATOM 993 CG LYS A 63 9.930 -30.516 1.612 1.00 0.00 C ATOM 994 CD LYS A 63 11.411 -30.815 1.449 1.00 0.00 C ATOM 995 CE LYS A 63 12.161 -29.620 0.881 1.00 0.00 C ATOM 996 NZ LYS A 63 11.911 -29.449 -0.577 1.00 0.00 N ATOM 0 H LYS A 63 7.030 -31.152 2.018 1.00 0.00 H new ATOM 0 HA LYS A 63 9.130 -33.064 1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.706 -30.492 3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.174 -31.434 3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.390 -30.854 0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.781 -29.439 1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.837 -31.088 2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.540 -31.674 0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.858 -28.716 1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.230 -29.747 1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.724 -28.972 -1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.778 -30.381 -1.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.056 -28.874 -0.718 1.00 0.00 H new ATOM 1010 N SER A 64 7.445 -32.898 4.641 1.00 0.00 N ATOM 1011 CA SER A 64 7.182 -33.600 5.892 1.00 0.00 C ATOM 1012 C SER A 64 6.728 -35.032 5.628 1.00 0.00 C ATOM 1013 O SER A 64 7.198 -35.973 6.267 1.00 0.00 O ATOM 1014 CB SER A 64 6.118 -32.857 6.704 1.00 0.00 C ATOM 1015 OG SER A 64 5.685 -33.633 7.808 1.00 0.00 O ATOM 0 H SER A 64 6.839 -32.096 4.472 1.00 0.00 H new ATOM 0 HA SER A 64 8.110 -33.632 6.463 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.523 -31.909 7.058 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.267 -32.621 6.065 1.00 0.00 H new ATOM 0 HG SER A 64 5.007 -33.136 8.311 1.00 0.00 H new ATOM 1021 N LYS A 65 5.811 -35.189 4.679 1.00 0.00 N ATOM 1022 CA LYS A 65 5.293 -36.505 4.326 1.00 0.00 C ATOM 1023 C LYS A 65 6.375 -37.360 3.676 1.00 0.00 C ATOM 1024 O LYS A 65 6.526 -38.539 3.999 1.00 0.00 O ATOM 1025 CB LYS A 65 4.098 -36.368 3.378 1.00 0.00 C ATOM 1026 CG LYS A 65 3.536 -37.699 2.912 1.00 0.00 C ATOM 1027 CD LYS A 65 2.072 -37.580 2.522 1.00 0.00 C ATOM 1028 CE LYS A 65 1.617 -38.772 1.694 1.00 0.00 C ATOM 1029 NZ LYS A 65 0.791 -39.720 2.492 1.00 0.00 N ATOM 0 H LYS A 65 5.411 -34.420 4.141 1.00 0.00 H new ATOM 0 HA LYS A 65 4.968 -36.997 5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.310 -35.806 3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.400 -35.786 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.112 -38.060 2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.643 -38.438 3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.460 -37.505 3.421 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.919 -36.662 1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.041 -38.421 0.838 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.489 -39.294 1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.501 -40.518 1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.349 -40.075 3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.054 -39.229 2.848 1.00 0.00 H new ATOM 1043 N LEU A 66 7.127 -36.759 2.761 1.00 0.00 N ATOM 1044 CA LEU A 66 8.198 -37.465 2.066 1.00 0.00 C ATOM 1045 C LEU A 66 9.264 -37.940 3.049 1.00 0.00 C ATOM 1046 O LEU A 66 9.791 -39.046 2.924 1.00 0.00 O ATOM 1047 CB LEU A 66 8.831 -36.560 1.008 1.00 0.00 C ATOM 1048 CG LEU A 66 9.871 -37.215 0.099 1.00 0.00 C ATOM 1049 CD1 LEU A 66 9.193 -38.099 -0.936 1.00 0.00 C ATOM 1050 CD2 LEU A 66 10.727 -36.156 -0.581 1.00 0.00 C ATOM 0 H LEU A 66 7.015 -35.784 2.483 1.00 0.00 H new ATOM 0 HA LEU A 66 7.766 -38.338 1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.036 -36.154 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.300 -35.716 1.514 1.00 0.00 H new ATOM 0 HG LEU A 66 10.520 -37.840 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.949 -38.557 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.623 -38.879 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.521 -37.495 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.462 -36.640 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.092 -35.505 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.241 -35.563 0.175 1.00 0.00 H new ATOM 1062 N LYS A 67 9.576 -37.098 4.028 1.00 0.00 N ATOM 1063 CA LYS A 67 10.576 -37.431 5.034 1.00 0.00 C ATOM 1064 C LYS A 67 10.063 -38.520 5.971 1.00 0.00 C ATOM 1065 O LYS A 67 10.778 -39.472 6.285 1.00 0.00 O ATOM 1066 CB LYS A 67 10.953 -36.185 5.841 1.00 0.00 C ATOM 1067 CG LYS A 67 11.996 -36.448 6.914 1.00 0.00 C ATOM 1068 CD LYS A 67 13.309 -35.752 6.596 1.00 0.00 C ATOM 1069 CE LYS A 67 13.479 -34.482 7.417 1.00 0.00 C ATOM 1070 NZ LYS A 67 13.998 -33.356 6.593 1.00 0.00 N ATOM 0 H LYS A 67 9.150 -36.179 4.146 1.00 0.00 H new ATOM 0 HA LYS A 67 11.461 -37.805 4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.329 -35.421 5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.056 -35.781 6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.623 -36.102 7.878 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.164 -37.521 7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.139 -36.430 6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.345 -35.508 5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.521 -34.201 7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.163 -34.673 8.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.100 -32.509 7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.924 -33.614 6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.333 -33.157 5.819 1.00 0.00 H new ATOM 1084 N LYS A 68 8.818 -38.375 6.415 1.00 0.00 N ATOM 1085 CA LYS A 68 8.208 -39.346 7.313 1.00 0.00 C ATOM 1086 C LYS A 68 8.182 -40.733 6.678 1.00 0.00 C ATOM 1087 O LYS A 68 8.510 -41.728 7.323 1.00 0.00 O ATOM 1088 CB LYS A 68 6.786 -38.913 7.677 1.00 0.00 C ATOM 1089 CG LYS A 68 6.631 -38.489 9.128 1.00 0.00 C ATOM 1090 CD LYS A 68 5.169 -38.339 9.511 1.00 0.00 C ATOM 1091 CE LYS A 68 5.016 -37.732 10.897 1.00 0.00 C ATOM 1092 NZ LYS A 68 5.099 -38.765 11.967 1.00 0.00 N ATOM 0 H LYS A 68 8.212 -37.593 6.166 1.00 0.00 H new ATOM 0 HA LYS A 68 8.810 -39.392 8.220 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.491 -38.085 7.032 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.101 -39.736 7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.104 -39.227 9.776 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.149 -37.544 9.289 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.663 -37.710 8.779 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.683 -39.314 9.484 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.793 -36.984 11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.058 -37.216 10.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.990 -38.311 12.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.342 -39.465 11.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.023 -39.240 11.920 1.00 0.00 H new ATOM 1106 N ALA A 69 7.788 -40.791 5.410 1.00 0.00 N ATOM 1107 CA ALA A 69 7.722 -42.054 4.686 1.00 0.00 C ATOM 1108 C ALA A 69 9.075 -42.759 4.687 1.00 0.00 C ATOM 1109 O ALA A 69 9.145 -43.987 4.749 1.00 0.00 O ATOM 1110 CB ALA A 69 7.246 -41.821 3.261 1.00 0.00 C ATOM 0 H ALA A 69 7.509 -39.977 4.863 1.00 0.00 H new ATOM 0 HA ALA A 69 7.006 -42.699 5.195 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.202 -42.773 2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.254 -41.369 3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.940 -41.154 2.750 1.00 0.00 H new