USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 737 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 19 ASN : amide:sc= 0.326 X(o=0.33,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0468 USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= 0.458 (180deg=0.362) USER MOD Single : A 36 THR OG1 : rot -126:sc= -0.474 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0569 USER MOD Single : A 52 GLN : amide:sc= 0.262 X(o=0.26,f=-0.016) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -150:sc= 0 (180deg=-1.1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -3.22! K(o=-3.2!,f=-5.7) USER MOD Single : A 78 HIS : no HE2:sc= 0.836 K(o=0.84,f=-3.2!) USER MOD Single : A 80 TYR OH : rot 6:sc= -0.299 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.253 K(o=-0.25,f=-1) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 21:sc= 0.0989 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 8 -9.699 11.122 -4.611 1.00 0.00 N ATOM 118 CA PHE A 8 -9.105 10.954 -3.280 1.00 0.00 C ATOM 119 C PHE A 8 -7.767 10.207 -3.299 1.00 0.00 C ATOM 120 O PHE A 8 -6.865 10.533 -2.527 1.00 0.00 O ATOM 121 CB PHE A 8 -10.089 10.220 -2.362 1.00 0.00 C ATOM 122 CG PHE A 8 -11.278 11.050 -1.970 1.00 0.00 C ATOM 123 CD1 PHE A 8 -11.226 11.885 -0.866 1.00 0.00 C ATOM 124 CD2 PHE A 8 -12.448 10.997 -2.709 1.00 0.00 C ATOM 125 CE1 PHE A 8 -12.319 12.652 -0.508 1.00 0.00 C ATOM 126 CE2 PHE A 8 -13.544 11.761 -2.357 1.00 0.00 C ATOM 127 CZ PHE A 8 -13.479 12.590 -1.254 1.00 0.00 C ATOM 0 HA PHE A 8 -8.901 11.956 -2.903 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.436 9.317 -2.863 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.565 9.903 -1.461 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.321 11.937 -0.278 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -12.504 10.350 -3.572 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.265 13.299 0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -14.450 11.710 -2.943 1.00 0.00 H new ATOM 0 HZ PHE A 8 -14.334 13.188 -0.976 1.00 0.00 H new ATOM 137 N LEU A 9 -7.639 9.210 -4.175 1.00 0.00 N ATOM 138 CA LEU A 9 -6.415 8.402 -4.253 1.00 0.00 C ATOM 139 C LEU A 9 -5.182 9.189 -4.743 1.00 0.00 C ATOM 140 O LEU A 9 -4.128 9.114 -4.113 1.00 0.00 O ATOM 141 CB LEU A 9 -6.637 7.164 -5.129 1.00 0.00 C ATOM 142 CG LEU A 9 -6.961 5.875 -4.363 1.00 0.00 C ATOM 143 CD1 LEU A 9 -8.445 5.796 -4.038 1.00 0.00 C ATOM 144 CD2 LEU A 9 -6.531 4.655 -5.164 1.00 0.00 C ATOM 0 H LEU A 9 -8.364 8.941 -4.840 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.196 8.093 -3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.452 7.370 -5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.742 6.997 -5.729 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.405 5.891 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.650 4.873 -3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.729 6.650 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.021 5.808 -4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.769 3.750 -4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.059 4.641 -6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.457 4.698 -5.344 1.00 0.00 H new ATOM 156 N PRO A 10 -5.267 9.940 -5.871 1.00 0.00 N ATOM 157 CA PRO A 10 -4.120 10.712 -6.386 1.00 0.00 C ATOM 158 C PRO A 10 -3.717 11.876 -5.476 1.00 0.00 C ATOM 159 O PRO A 10 -2.659 12.479 -5.666 1.00 0.00 O ATOM 160 CB PRO A 10 -4.612 11.244 -7.743 1.00 0.00 C ATOM 161 CG PRO A 10 -5.828 10.447 -8.062 1.00 0.00 C ATOM 162 CD PRO A 10 -6.442 10.091 -6.742 1.00 0.00 C ATOM 0 HA PRO A 10 -3.228 10.089 -6.451 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.843 12.308 -7.688 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.850 11.123 -8.512 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.523 11.022 -8.674 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.571 9.551 -8.628 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.114 10.871 -6.384 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.024 9.171 -6.801 1.00 0.00 H new ATOM 170 N GLU A 11 -4.557 12.186 -4.489 1.00 0.00 N ATOM 171 CA GLU A 11 -4.286 13.278 -3.556 1.00 0.00 C ATOM 172 C GLU A 11 -3.458 12.798 -2.360 1.00 0.00 C ATOM 173 O GLU A 11 -2.539 13.486 -1.916 1.00 0.00 O ATOM 174 CB GLU A 11 -5.601 13.892 -3.072 1.00 0.00 C ATOM 175 CG GLU A 11 -6.323 14.703 -4.140 1.00 0.00 C ATOM 176 CD GLU A 11 -5.754 16.098 -4.304 1.00 0.00 C ATOM 177 OE1 GLU A 11 -6.218 17.014 -3.593 1.00 0.00 O ATOM 178 OE2 GLU A 11 -4.845 16.275 -5.142 1.00 0.00 O ATOM 0 H GLU A 11 -5.434 11.694 -4.315 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.706 14.036 -4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.259 13.095 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.399 14.534 -2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.262 14.177 -5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.380 14.775 -3.883 1.00 0.00 H new ATOM 185 N ILE A 12 -3.791 11.614 -1.851 1.00 0.00 N ATOM 186 CA ILE A 12 -3.081 11.035 -0.711 1.00 0.00 C ATOM 187 C ILE A 12 -1.718 10.482 -1.127 1.00 0.00 C ATOM 188 O ILE A 12 -0.790 10.431 -0.319 1.00 0.00 O ATOM 189 CB ILE A 12 -3.898 9.922 -0.005 1.00 0.00 C ATOM 190 CG1 ILE A 12 -4.512 8.949 -1.015 1.00 0.00 C ATOM 191 CG2 ILE A 12 -4.990 10.536 0.858 1.00 0.00 C ATOM 192 CD1 ILE A 12 -3.745 7.652 -1.155 1.00 0.00 C ATOM 0 H ILE A 12 -4.550 11.035 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.937 11.849 -0.001 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.213 9.360 0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.535 8.725 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.566 9.436 -1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.556 9.743 1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.538 11.179 1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.660 11.126 0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.240 7.014 -1.887 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.729 7.864 -1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.714 7.142 -0.192 1.00 0.00 H new ATOM 204 N LEU A 13 -1.626 10.041 -2.388 1.00 0.00 N ATOM 205 CA LEU A 13 -0.398 9.467 -2.948 1.00 0.00 C ATOM 206 C LEU A 13 0.836 10.343 -2.691 1.00 0.00 C ATOM 207 O LEU A 13 1.917 9.827 -2.421 1.00 0.00 O ATOM 208 CB LEU A 13 -0.569 9.245 -4.456 1.00 0.00 C ATOM 209 CG LEU A 13 0.043 7.950 -5.001 1.00 0.00 C ATOM 210 CD1 LEU A 13 -0.734 7.458 -6.212 1.00 0.00 C ATOM 211 CD2 LEU A 13 1.506 8.158 -5.362 1.00 0.00 C ATOM 0 H LEU A 13 -2.402 10.073 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.229 8.516 -2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.634 9.250 -4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.123 10.088 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.016 7.192 -4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.284 6.538 -6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.769 7.266 -5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.708 8.217 -6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.922 7.227 -5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.586 8.933 -6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.060 8.463 -4.474 1.00 0.00 H new ATOM 223 N ALA A 14 0.670 11.662 -2.775 1.00 0.00 N ATOM 224 CA ALA A 14 1.776 12.597 -2.555 1.00 0.00 C ATOM 225 C ALA A 14 2.337 12.490 -1.137 1.00 0.00 C ATOM 226 O ALA A 14 3.553 12.490 -0.941 1.00 0.00 O ATOM 227 CB ALA A 14 1.316 14.022 -2.835 1.00 0.00 C ATOM 0 H ALA A 14 -0.220 12.109 -2.994 1.00 0.00 H new ATOM 0 HA ALA A 14 2.578 12.333 -3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.144 14.711 -2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.981 14.100 -3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.493 14.277 -2.167 1.00 0.00 H new ATOM 233 N GLU A 15 1.443 12.389 -0.154 1.00 0.00 N ATOM 234 CA GLU A 15 1.840 12.291 1.252 1.00 0.00 C ATOM 235 C GLU A 15 2.393 10.910 1.627 1.00 0.00 C ATOM 236 O GLU A 15 2.965 10.750 2.702 1.00 0.00 O ATOM 237 CB GLU A 15 0.654 12.614 2.162 1.00 0.00 C ATOM 238 CG GLU A 15 0.291 14.089 2.214 1.00 0.00 C ATOM 239 CD GLU A 15 -0.896 14.355 3.119 1.00 0.00 C ATOM 240 OE1 GLU A 15 -2.041 14.300 2.627 1.00 0.00 O ATOM 241 OE2 GLU A 15 -0.679 14.610 4.323 1.00 0.00 O ATOM 0 H GLU A 15 0.434 12.373 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 15 2.641 13.017 1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.214 12.050 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.881 12.272 3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.150 14.661 2.566 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.065 14.441 1.208 1.00 0.00 H new ATOM 248 N ILE A 16 2.229 9.911 0.758 1.00 0.00 N ATOM 249 CA ILE A 16 2.716 8.565 1.072 1.00 0.00 C ATOM 250 C ILE A 16 4.117 8.298 0.511 1.00 0.00 C ATOM 251 O ILE A 16 4.865 7.512 1.083 1.00 0.00 O ATOM 252 CB ILE A 16 1.738 7.453 0.598 1.00 0.00 C ATOM 253 CG1 ILE A 16 2.041 6.139 1.329 1.00 0.00 C ATOM 254 CG2 ILE A 16 1.818 7.243 -0.907 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.812 5.313 1.640 1.00 0.00 C ATOM 0 H ILE A 16 1.773 10.003 -0.150 1.00 0.00 H new ATOM 0 HA ILE A 16 2.774 8.529 2.160 1.00 0.00 H new ATOM 0 HB ILE A 16 0.725 7.775 0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.722 5.544 0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.561 6.364 2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.121 6.459 -1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.559 8.170 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.832 6.949 -1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.108 4.400 2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.139 5.888 2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.302 5.055 0.712 1.00 0.00 H new ATOM 267 N ILE A 17 4.485 8.954 -0.590 1.00 0.00 N ATOM 268 CA ILE A 17 5.807 8.739 -1.188 1.00 0.00 C ATOM 269 C ILE A 17 6.933 9.208 -0.262 1.00 0.00 C ATOM 270 O ILE A 17 7.978 8.564 -0.167 1.00 0.00 O ATOM 271 CB ILE A 17 5.957 9.455 -2.550 1.00 0.00 C ATOM 272 CG1 ILE A 17 4.757 9.170 -3.454 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.243 9.018 -3.241 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.492 10.258 -4.476 1.00 0.00 C ATOM 0 H ILE A 17 3.898 9.629 -1.081 1.00 0.00 H new ATOM 0 HA ILE A 17 5.888 7.663 -1.342 1.00 0.00 H new ATOM 0 HB ILE A 17 6.000 10.528 -2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.922 8.227 -3.975 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.869 9.041 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.334 9.531 -4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.097 9.269 -2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.219 7.941 -3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.627 9.986 -5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.295 11.199 -3.963 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.364 10.372 -5.121 1.00 0.00 H new ATOM 286 N ALA A 18 6.702 10.317 0.435 1.00 0.00 N ATOM 287 CA ALA A 18 7.704 10.886 1.333 1.00 0.00 C ATOM 288 C ALA A 18 7.599 10.340 2.759 1.00 0.00 C ATOM 289 O ALA A 18 8.470 10.601 3.587 1.00 0.00 O ATOM 290 CB ALA A 18 7.581 12.402 1.343 1.00 0.00 C ATOM 0 H ALA A 18 5.828 10.841 0.395 1.00 0.00 H new ATOM 0 HA ALA A 18 8.683 10.592 0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.330 12.823 2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.739 12.787 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.586 12.684 1.687 1.00 0.00 H new ATOM 296 N ASN A 19 6.536 9.591 3.050 1.00 0.00 N ATOM 297 CA ASN A 19 6.336 9.043 4.394 1.00 0.00 C ATOM 298 C ASN A 19 6.297 7.515 4.395 1.00 0.00 C ATOM 299 O ASN A 19 5.733 6.902 5.303 1.00 0.00 O ATOM 300 CB ASN A 19 5.041 9.594 4.995 1.00 0.00 C ATOM 301 CG ASN A 19 5.180 11.033 5.453 1.00 0.00 C ATOM 302 OD1 ASN A 19 5.551 11.298 6.595 1.00 0.00 O ATOM 303 ND2 ASN A 19 4.882 11.970 4.561 1.00 0.00 N ATOM 0 H ASN A 19 5.805 9.350 2.381 1.00 0.00 H new ATOM 0 HA ASN A 19 7.188 9.351 5.001 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.243 9.527 4.255 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.744 8.974 5.841 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.957 12.956 4.812 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.578 11.704 3.624 1.00 0.00 H new ATOM 310 N LEU A 20 6.895 6.902 3.381 1.00 0.00 N ATOM 311 CA LEU A 20 6.914 5.444 3.283 1.00 0.00 C ATOM 312 C LEU A 20 8.334 4.899 3.206 1.00 0.00 C ATOM 313 O LEU A 20 9.237 5.545 2.675 1.00 0.00 O ATOM 314 CB LEU A 20 6.130 4.975 2.058 1.00 0.00 C ATOM 315 CG LEU A 20 5.737 3.498 2.065 1.00 0.00 C ATOM 316 CD1 LEU A 20 4.315 3.330 2.575 1.00 0.00 C ATOM 317 CD2 LEU A 20 5.879 2.903 0.670 1.00 0.00 C ATOM 0 H LEU A 20 7.371 7.385 2.619 1.00 0.00 H new ATOM 0 HA LEU A 20 6.445 5.060 4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.224 5.575 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.726 5.172 1.167 1.00 0.00 H new ATOM 0 HG LEU A 20 6.409 2.964 2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.051 2.273 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.244 3.721 3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.629 3.876 1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.595 1.851 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.230 3.439 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.914 2.993 0.340 1.00 0.00 H new ATOM 329 N ASP A 21 8.514 3.694 3.741 1.00 0.00 N ATOM 330 CA ASP A 21 9.807 3.022 3.726 1.00 0.00 C ATOM 331 C ASP A 21 9.642 1.600 3.189 1.00 0.00 C ATOM 332 O ASP A 21 9.295 0.687 3.936 1.00 0.00 O ATOM 333 CB ASP A 21 10.416 2.992 5.132 1.00 0.00 C ATOM 334 CG ASP A 21 10.967 4.340 5.551 1.00 0.00 C ATOM 335 OD1 ASP A 21 10.176 5.190 6.012 1.00 0.00 O ATOM 336 OD2 ASP A 21 12.191 4.547 5.417 1.00 0.00 O ATOM 0 H ASP A 21 7.772 3.160 4.194 1.00 0.00 H new ATOM 0 HA ASP A 21 10.483 3.575 3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.657 2.674 5.847 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.214 2.250 5.164 1.00 0.00 H new ATOM 341 N PRO A 22 9.892 1.405 1.876 1.00 0.00 N ATOM 342 CA PRO A 22 9.756 0.095 1.206 1.00 0.00 C ATOM 343 C PRO A 22 10.648 -1.000 1.790 1.00 0.00 C ATOM 344 O PRO A 22 10.355 -2.183 1.640 1.00 0.00 O ATOM 345 CB PRO A 22 10.177 0.384 -0.241 1.00 0.00 C ATOM 346 CG PRO A 22 10.025 1.855 -0.408 1.00 0.00 C ATOM 347 CD PRO A 22 10.323 2.454 0.934 1.00 0.00 C ATOM 0 HA PRO A 22 8.742 -0.288 1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.206 0.072 -0.421 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.551 -0.159 -0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.710 2.235 -1.166 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.016 2.109 -0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.383 2.684 1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.776 3.384 1.090 1.00 0.00 H new ATOM 355 N THR A 23 11.728 -0.604 2.449 1.00 0.00 N ATOM 356 CA THR A 23 12.665 -1.556 3.038 1.00 0.00 C ATOM 357 C THR A 23 12.131 -2.185 4.322 1.00 0.00 C ATOM 358 O THR A 23 12.226 -3.398 4.517 1.00 0.00 O ATOM 359 CB THR A 23 14.006 -0.875 3.357 1.00 0.00 C ATOM 360 OG1 THR A 23 13.775 0.449 3.856 1.00 0.00 O ATOM 361 CG2 THR A 23 14.893 -0.805 2.123 1.00 0.00 C ATOM 0 H THR A 23 11.979 0.374 2.591 1.00 0.00 H new ATOM 0 HA THR A 23 12.803 -2.342 2.295 1.00 0.00 H new ATOM 0 HB THR A 23 14.515 -1.470 4.115 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.633 0.877 4.059 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.834 -0.319 2.379 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.092 -1.813 1.761 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.389 -0.233 1.344 1.00 0.00 H new ATOM 369 N LYS A 24 11.565 -1.352 5.191 1.00 0.00 N ATOM 370 CA LYS A 24 11.052 -1.814 6.478 1.00 0.00 C ATOM 371 C LYS A 24 9.766 -2.631 6.353 1.00 0.00 C ATOM 372 O LYS A 24 9.535 -3.539 7.147 1.00 0.00 O ATOM 373 CB LYS A 24 10.822 -0.623 7.411 1.00 0.00 C ATOM 374 CG LYS A 24 11.307 -0.861 8.833 1.00 0.00 C ATOM 375 CD LYS A 24 10.906 0.277 9.757 1.00 0.00 C ATOM 376 CE LYS A 24 9.809 -0.149 10.721 1.00 0.00 C ATOM 377 NZ LYS A 24 9.343 0.980 11.572 1.00 0.00 N ATOM 0 H LYS A 24 11.450 -0.352 5.027 1.00 0.00 H new ATOM 0 HA LYS A 24 11.810 -2.477 6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.331 0.251 7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.757 -0.390 7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.894 -1.798 9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.392 -0.968 8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.776 0.614 10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.562 1.125 9.164 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.966 -0.549 10.157 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.178 -0.954 11.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.410 0.752 11.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.021 1.135 12.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.271 1.843 10.996 1.00 0.00 H new ATOM 391 N ILE A 25 8.938 -2.332 5.358 1.00 0.00 N ATOM 392 CA ILE A 25 7.674 -3.057 5.193 1.00 0.00 C ATOM 393 C ILE A 25 7.832 -4.347 4.386 1.00 0.00 C ATOM 394 O ILE A 25 7.120 -5.321 4.633 1.00 0.00 O ATOM 395 CB ILE A 25 6.578 -2.186 4.538 1.00 0.00 C ATOM 396 CG1 ILE A 25 7.106 -1.500 3.278 1.00 0.00 C ATOM 397 CG2 ILE A 25 6.051 -1.157 5.529 1.00 0.00 C ATOM 398 CD1 ILE A 25 6.040 -1.259 2.236 1.00 0.00 C ATOM 0 H ILE A 25 9.110 -1.606 4.662 1.00 0.00 H new ATOM 0 HA ILE A 25 7.365 -3.316 6.206 1.00 0.00 H new ATOM 0 HB ILE A 25 5.755 -2.838 4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.556 -0.547 3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.896 -2.112 2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.280 -0.553 5.051 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.627 -1.668 6.393 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.868 -0.513 5.853 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.483 -0.769 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.606 -2.212 1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.261 -0.622 2.654 1.00 0.00 H new ATOM 410 N LEU A 26 8.763 -4.350 3.430 1.00 0.00 N ATOM 411 CA LEU A 26 8.990 -5.518 2.573 1.00 0.00 C ATOM 412 C LEU A 26 9.374 -6.759 3.376 1.00 0.00 C ATOM 413 O LEU A 26 8.993 -7.875 3.021 1.00 0.00 O ATOM 414 CB LEU A 26 10.083 -5.218 1.546 1.00 0.00 C ATOM 415 CG LEU A 26 10.008 -6.044 0.261 1.00 0.00 C ATOM 416 CD1 LEU A 26 9.056 -5.393 -0.728 1.00 0.00 C ATOM 417 CD2 LEU A 26 11.390 -6.205 -0.352 1.00 0.00 C ATOM 0 H LEU A 26 9.373 -3.557 3.229 1.00 0.00 H new ATOM 0 HA LEU A 26 8.049 -5.727 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.034 -4.161 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.054 -5.386 2.012 1.00 0.00 H new ATOM 0 HG LEU A 26 9.627 -7.035 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.012 -5.991 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.061 -5.329 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.411 -4.391 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.316 -6.795 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.801 -5.223 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.045 -6.712 0.356 1.00 0.00 H new ATOM 429 N GLU A 27 10.115 -6.553 4.460 1.00 0.00 N ATOM 430 CA GLU A 27 10.572 -7.652 5.309 1.00 0.00 C ATOM 431 C GLU A 27 9.414 -8.363 6.015 1.00 0.00 C ATOM 432 O GLU A 27 9.369 -9.593 6.055 1.00 0.00 O ATOM 433 CB GLU A 27 11.563 -7.123 6.345 1.00 0.00 C ATOM 434 CG GLU A 27 12.923 -6.772 5.766 1.00 0.00 C ATOM 435 CD GLU A 27 13.887 -6.269 6.821 1.00 0.00 C ATOM 436 OE1 GLU A 27 14.583 -7.107 7.435 1.00 0.00 O ATOM 437 OE2 GLU A 27 13.944 -5.042 7.037 1.00 0.00 O ATOM 0 H GLU A 27 10.414 -5.630 4.774 1.00 0.00 H new ATOM 0 HA GLU A 27 11.058 -8.384 4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.141 -6.237 6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.693 -7.872 7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.346 -7.651 5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.801 -6.010 4.996 1.00 0.00 H new ATOM 444 N GLU A 28 8.476 -7.586 6.556 1.00 0.00 N ATOM 445 CA GLU A 28 7.331 -8.144 7.283 1.00 0.00 C ATOM 446 C GLU A 28 6.293 -8.765 6.347 1.00 0.00 C ATOM 447 O GLU A 28 5.492 -9.602 6.767 1.00 0.00 O ATOM 448 CB GLU A 28 6.668 -7.058 8.135 1.00 0.00 C ATOM 449 CG GLU A 28 7.369 -6.816 9.464 1.00 0.00 C ATOM 450 CD GLU A 28 8.491 -5.802 9.356 1.00 0.00 C ATOM 451 OE1 GLU A 28 8.195 -4.589 9.381 1.00 0.00 O ATOM 452 OE2 GLU A 28 9.663 -6.219 9.248 1.00 0.00 O ATOM 0 H GLU A 28 8.485 -6.567 6.506 1.00 0.00 H new ATOM 0 HA GLU A 28 7.715 -8.938 7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.647 -6.126 7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.632 -7.339 8.326 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.640 -6.469 10.197 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.771 -7.759 9.835 1.00 0.00 H new ATOM 459 N LEU A 29 6.311 -8.354 5.082 1.00 0.00 N ATOM 460 CA LEU A 29 5.364 -8.862 4.094 1.00 0.00 C ATOM 461 C LEU A 29 5.774 -10.240 3.578 1.00 0.00 C ATOM 462 O LEU A 29 4.936 -11.127 3.417 1.00 0.00 O ATOM 463 CB LEU A 29 5.256 -7.884 2.924 1.00 0.00 C ATOM 464 CG LEU A 29 4.455 -6.616 3.217 1.00 0.00 C ATOM 465 CD1 LEU A 29 4.873 -5.489 2.285 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.968 -6.890 3.087 1.00 0.00 C ATOM 0 H LEU A 29 6.973 -7.669 4.716 1.00 0.00 H new ATOM 0 HA LEU A 29 4.394 -8.960 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.261 -7.598 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.797 -8.399 2.080 1.00 0.00 H new ATOM 0 HG LEU A 29 4.663 -6.306 4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.291 -4.596 2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.933 -5.276 2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.695 -5.787 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.410 -5.978 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.747 -7.224 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.678 -7.666 3.796 1.00 0.00 H new ATOM 478 N LEU A 30 7.070 -10.410 3.330 1.00 0.00 N ATOM 479 CA LEU A 30 7.601 -11.670 2.813 1.00 0.00 C ATOM 480 C LEU A 30 7.620 -12.768 3.874 1.00 0.00 C ATOM 481 O LEU A 30 7.486 -13.949 3.552 1.00 0.00 O ATOM 482 CB LEU A 30 9.011 -11.457 2.264 1.00 0.00 C ATOM 483 CG LEU A 30 9.093 -10.575 1.019 1.00 0.00 C ATOM 484 CD1 LEU A 30 10.483 -9.974 0.881 1.00 0.00 C ATOM 485 CD2 LEU A 30 8.733 -11.381 -0.216 1.00 0.00 C ATOM 0 H LEU A 30 7.775 -9.688 3.479 1.00 0.00 H new ATOM 0 HA LEU A 30 6.937 -11.998 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.626 -11.013 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.445 -12.430 2.031 1.00 0.00 H new ATOM 0 HG LEU A 30 8.379 -9.758 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.522 -9.349 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.706 -9.368 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.219 -10.774 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.795 -10.743 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.428 -12.214 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.718 -11.765 -0.117 1.00 0.00 H new ATOM 497 N ARG A 31 7.793 -12.373 5.134 1.00 0.00 N ATOM 498 CA ARG A 31 7.844 -13.325 6.243 1.00 0.00 C ATOM 499 C ARG A 31 6.497 -14.010 6.468 1.00 0.00 C ATOM 500 O ARG A 31 6.444 -15.161 6.902 1.00 0.00 O ATOM 501 CB ARG A 31 8.282 -12.617 7.523 1.00 0.00 C ATOM 502 CG ARG A 31 9.780 -12.368 7.589 1.00 0.00 C ATOM 503 CD ARG A 31 10.178 -11.708 8.897 1.00 0.00 C ATOM 504 NE ARG A 31 11.599 -11.379 8.928 1.00 0.00 N ATOM 505 CZ ARG A 31 12.252 -11.020 10.029 1.00 0.00 C ATOM 506 NH1 ARG A 31 11.615 -10.943 11.191 1.00 0.00 N ATOM 507 NH2 ARG A 31 13.545 -10.736 9.970 1.00 0.00 N ATOM 0 H ARG A 31 7.900 -11.398 5.413 1.00 0.00 H new ATOM 0 HA ARG A 31 8.571 -14.094 5.981 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.758 -11.664 7.600 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.982 -13.216 8.383 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.312 -13.313 7.481 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.082 -11.735 6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.592 -10.800 9.039 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.941 -12.374 9.727 1.00 0.00 H new ATOM 0 HE ARG A 31 12.122 -11.427 8.054 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.620 -11.160 11.242 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.121 -10.667 12.033 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.040 -10.793 9.080 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.046 -10.461 10.815 1.00 0.00 H new ATOM 521 N ARG A 32 5.413 -13.299 6.173 1.00 0.00 N ATOM 522 CA ARG A 32 4.070 -13.847 6.346 1.00 0.00 C ATOM 523 C ARG A 32 3.576 -14.511 5.064 1.00 0.00 C ATOM 524 O ARG A 32 2.570 -15.222 5.073 1.00 0.00 O ATOM 525 CB ARG A 32 3.101 -12.747 6.781 1.00 0.00 C ATOM 526 CG ARG A 32 3.437 -12.147 8.139 1.00 0.00 C ATOM 527 CD ARG A 32 2.249 -11.414 8.741 1.00 0.00 C ATOM 528 NE ARG A 32 2.553 -10.875 10.066 1.00 0.00 N ATOM 529 CZ ARG A 32 1.662 -10.252 10.834 1.00 0.00 C ATOM 530 NH1 ARG A 32 0.415 -10.088 10.416 1.00 0.00 N ATOM 531 NH2 ARG A 32 2.020 -9.792 12.024 1.00 0.00 N ATOM 0 H ARG A 32 5.437 -12.345 5.814 1.00 0.00 H new ATOM 0 HA ARG A 32 4.114 -14.609 7.125 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.102 -11.955 6.032 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.091 -13.155 6.812 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.758 -12.938 8.817 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.275 -11.458 8.035 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.951 -10.601 8.079 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.401 -12.095 8.812 1.00 0.00 H new ATOM 0 HE ARG A 32 3.503 -10.983 10.422 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.133 -10.440 9.501 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.263 -9.610 11.009 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.978 -9.915 12.351 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.337 -9.315 12.613 1.00 0.00 H new ATOM 545 N GLY A 33 4.291 -14.277 3.965 1.00 0.00 N ATOM 546 CA GLY A 33 3.918 -14.862 2.688 1.00 0.00 C ATOM 547 C GLY A 33 2.820 -14.084 1.988 1.00 0.00 C ATOM 548 O GLY A 33 1.946 -14.672 1.352 1.00 0.00 O ATOM 0 H GLY A 33 5.125 -13.690 3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.795 -14.906 2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.587 -15.888 2.846 1.00 0.00 H new ATOM 552 N LEU A 34 2.869 -12.760 2.104 1.00 0.00 N ATOM 553 CA LEU A 34 1.870 -11.892 1.483 1.00 0.00 C ATOM 554 C LEU A 34 2.349 -11.355 0.137 1.00 0.00 C ATOM 555 O LEU A 34 1.560 -10.819 -0.639 1.00 0.00 O ATOM 556 CB LEU A 34 1.551 -10.717 2.409 1.00 0.00 C ATOM 557 CG LEU A 34 0.189 -10.057 2.187 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.418 -9.641 3.518 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.320 -8.858 1.256 1.00 0.00 C ATOM 0 H LEU A 34 3.592 -12.262 2.624 1.00 0.00 H new ATOM 0 HA LEU A 34 0.974 -12.490 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.603 -11.065 3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.326 -9.960 2.288 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.476 -10.781 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.387 -9.173 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.547 -10.520 4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.245 -8.932 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.659 -8.402 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.999 -8.128 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.714 -9.186 0.294 1.00 0.00 H new ATOM 571 N LEU A 35 3.628 -11.530 -0.160 1.00 0.00 N ATOM 572 CA LEU A 35 4.175 -11.010 -1.400 1.00 0.00 C ATOM 573 C LEU A 35 4.523 -12.136 -2.370 1.00 0.00 C ATOM 574 O LEU A 35 5.126 -13.136 -1.981 1.00 0.00 O ATOM 575 CB LEU A 35 5.420 -10.177 -1.101 1.00 0.00 C ATOM 576 CG LEU A 35 5.460 -8.805 -1.776 1.00 0.00 C ATOM 577 CD1 LEU A 35 6.429 -7.882 -1.055 1.00 0.00 C ATOM 578 CD2 LEU A 35 5.842 -8.940 -3.240 1.00 0.00 C ATOM 0 H LEU A 35 4.297 -12.021 0.433 1.00 0.00 H new ATOM 0 HA LEU A 35 3.417 -10.384 -1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.494 -10.036 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.299 -10.742 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 35 4.463 -8.368 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.443 -6.911 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.111 -7.757 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.429 -8.315 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.865 -7.953 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.827 -9.400 -3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.109 -9.563 -3.751 1.00 0.00 H new ATOM 590 N THR A 36 4.136 -11.965 -3.635 1.00 0.00 N ATOM 591 CA THR A 36 4.418 -12.965 -4.659 1.00 0.00 C ATOM 592 C THR A 36 5.658 -12.587 -5.462 1.00 0.00 C ATOM 593 O THR A 36 5.935 -11.410 -5.662 1.00 0.00 O ATOM 594 CB THR A 36 3.232 -13.148 -5.625 1.00 0.00 C ATOM 595 OG1 THR A 36 2.835 -11.881 -6.162 1.00 0.00 O ATOM 596 CG2 THR A 36 2.056 -13.808 -4.919 1.00 0.00 C ATOM 0 H THR A 36 3.629 -11.146 -3.971 1.00 0.00 H new ATOM 0 HA THR A 36 4.591 -13.906 -4.137 1.00 0.00 H new ATOM 0 HB THR A 36 3.551 -13.797 -6.441 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.879 -11.742 -5.999 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.230 -13.927 -5.621 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.358 -14.786 -4.545 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.736 -13.184 -4.085 1.00 0.00 H new ATOM 604 N PRO A 37 6.419 -13.593 -5.929 1.00 0.00 N ATOM 605 CA PRO A 37 7.645 -13.377 -6.716 1.00 0.00 C ATOM 606 C PRO A 37 7.399 -12.669 -8.053 1.00 0.00 C ATOM 607 O PRO A 37 8.246 -11.907 -8.519 1.00 0.00 O ATOM 608 CB PRO A 37 8.176 -14.799 -6.949 1.00 0.00 C ATOM 609 CG PRO A 37 7.004 -15.694 -6.739 1.00 0.00 C ATOM 610 CD PRO A 37 6.152 -15.023 -5.707 1.00 0.00 C ATOM 0 HA PRO A 37 8.340 -12.722 -6.191 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.579 -14.908 -7.956 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.982 -15.037 -6.255 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.452 -15.838 -7.668 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.322 -16.680 -6.401 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.097 -15.261 -5.839 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.424 -15.332 -4.698 1.00 0.00 H new ATOM 618 N ALA A 38 6.236 -12.921 -8.657 1.00 0.00 N ATOM 619 CA ALA A 38 5.876 -12.309 -9.938 1.00 0.00 C ATOM 620 C ALA A 38 5.618 -10.812 -9.780 1.00 0.00 C ATOM 621 O ALA A 38 6.077 -10.003 -10.587 1.00 0.00 O ATOM 622 CB ALA A 38 4.651 -12.998 -10.517 1.00 0.00 C ATOM 0 H ALA A 38 5.525 -13.547 -8.278 1.00 0.00 H new ATOM 0 HA ALA A 38 6.714 -12.434 -10.624 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.390 -12.537 -11.469 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.868 -14.055 -10.673 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.815 -12.897 -9.824 1.00 0.00 H new ATOM 628 N GLU A 39 4.879 -10.458 -8.729 1.00 0.00 N ATOM 629 CA GLU A 39 4.555 -9.065 -8.435 1.00 0.00 C ATOM 630 C GLU A 39 5.773 -8.346 -7.857 1.00 0.00 C ATOM 631 O GLU A 39 5.963 -7.145 -8.069 1.00 0.00 O ATOM 632 CB GLU A 39 3.385 -8.999 -7.456 1.00 0.00 C ATOM 633 CG GLU A 39 2.034 -9.276 -8.097 1.00 0.00 C ATOM 634 CD GLU A 39 0.883 -9.060 -7.136 1.00 0.00 C ATOM 635 OE1 GLU A 39 0.438 -7.901 -6.991 1.00 0.00 O ATOM 636 OE2 GLU A 39 0.426 -10.050 -6.526 1.00 0.00 O ATOM 0 H GLU A 39 4.491 -11.125 -8.062 1.00 0.00 H new ATOM 0 HA GLU A 39 4.269 -8.567 -9.361 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.552 -9.720 -6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.363 -8.011 -6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.906 -8.627 -8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.012 -10.303 -8.461 1.00 0.00 H new ATOM 643 N LEU A 40 6.582 -9.101 -7.114 1.00 0.00 N ATOM 644 CA LEU A 40 7.796 -8.582 -6.490 1.00 0.00 C ATOM 645 C LEU A 40 8.754 -8.018 -7.537 1.00 0.00 C ATOM 646 O LEU A 40 9.222 -6.889 -7.414 1.00 0.00 O ATOM 647 CB LEU A 40 8.494 -9.700 -5.702 1.00 0.00 C ATOM 648 CG LEU A 40 9.332 -9.250 -4.498 1.00 0.00 C ATOM 649 CD1 LEU A 40 9.531 -10.405 -3.528 1.00 0.00 C ATOM 650 CD2 LEU A 40 10.681 -8.708 -4.949 1.00 0.00 C ATOM 0 H LEU A 40 6.413 -10.090 -6.929 1.00 0.00 H new ATOM 0 HA LEU A 40 7.513 -7.776 -5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.735 -10.399 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.141 -10.250 -6.385 1.00 0.00 H new ATOM 0 HG LEU A 40 8.792 -8.451 -3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.127 -10.069 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.561 -10.754 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.047 -11.220 -4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.257 -8.395 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.225 -9.486 -5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.528 -7.854 -5.608 1.00 0.00 H new ATOM 662 N GLN A 41 9.026 -8.817 -8.570 1.00 0.00 N ATOM 663 CA GLN A 41 9.940 -8.425 -9.642 1.00 0.00 C ATOM 664 C GLN A 41 9.440 -7.213 -10.426 1.00 0.00 C ATOM 665 O GLN A 41 10.221 -6.555 -11.102 1.00 0.00 O ATOM 666 CB GLN A 41 10.168 -9.598 -10.597 1.00 0.00 C ATOM 667 CG GLN A 41 11.114 -10.651 -10.046 1.00 0.00 C ATOM 668 CD GLN A 41 12.575 -10.282 -10.216 1.00 0.00 C ATOM 669 OE1 GLN A 41 13.180 -10.557 -11.252 1.00 0.00 O ATOM 670 NE2 GLN A 41 13.152 -9.655 -9.197 1.00 0.00 N ATOM 0 H GLN A 41 8.622 -9.746 -8.686 1.00 0.00 H new ATOM 0 HA GLN A 41 10.880 -8.142 -9.169 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.209 -10.064 -10.823 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.567 -9.218 -11.538 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.904 -10.802 -8.987 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.924 -11.600 -10.547 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.614 -9.446 -8.356 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.133 -9.382 -9.255 1.00 0.00 H new ATOM 679 N GLU A 42 8.144 -6.925 -10.348 1.00 0.00 N ATOM 680 CA GLU A 42 7.581 -5.785 -11.065 1.00 0.00 C ATOM 681 C GLU A 42 7.934 -4.465 -10.379 1.00 0.00 C ATOM 682 O GLU A 42 8.561 -3.588 -10.981 1.00 0.00 O ATOM 683 CB GLU A 42 6.060 -5.922 -11.174 1.00 0.00 C ATOM 684 CG GLU A 42 5.459 -5.212 -12.377 1.00 0.00 C ATOM 685 CD GLU A 42 3.957 -5.401 -12.474 1.00 0.00 C ATOM 686 OE1 GLU A 42 3.521 -6.380 -13.113 1.00 0.00 O ATOM 687 OE2 GLU A 42 3.219 -4.567 -11.910 1.00 0.00 O ATOM 0 H GLU A 42 7.469 -7.460 -9.801 1.00 0.00 H new ATOM 0 HA GLU A 42 8.015 -5.777 -12.065 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.804 -6.980 -11.224 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.604 -5.526 -10.266 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.685 -4.147 -12.316 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.928 -5.586 -13.287 1.00 0.00 H new ATOM 694 N VAL A 43 7.570 -4.348 -9.100 1.00 0.00 N ATOM 695 CA VAL A 43 7.823 -3.128 -8.339 1.00 0.00 C ATOM 696 C VAL A 43 9.300 -2.987 -7.961 1.00 0.00 C ATOM 697 O VAL A 43 9.803 -1.876 -7.813 1.00 0.00 O ATOM 698 CB VAL A 43 6.930 -3.052 -7.071 1.00 0.00 C ATOM 699 CG1 VAL A 43 7.220 -4.198 -6.115 1.00 0.00 C ATOM 700 CG2 VAL A 43 7.095 -1.711 -6.367 1.00 0.00 C ATOM 0 H VAL A 43 7.100 -5.084 -8.572 1.00 0.00 H new ATOM 0 HA VAL A 43 7.563 -2.294 -8.990 1.00 0.00 H new ATOM 0 HB VAL A 43 5.894 -3.144 -7.396 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.577 -4.113 -5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.027 -5.147 -6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.264 -4.157 -5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.459 -1.684 -5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.136 -1.582 -6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.809 -0.907 -7.045 1.00 0.00 H new ATOM 710 N LEU A 44 10.003 -4.103 -7.830 1.00 0.00 N ATOM 711 CA LEU A 44 11.414 -4.059 -7.470 1.00 0.00 C ATOM 712 C LEU A 44 12.282 -3.714 -8.676 1.00 0.00 C ATOM 713 O LEU A 44 13.406 -3.233 -8.522 1.00 0.00 O ATOM 714 CB LEU A 44 11.852 -5.384 -6.858 1.00 0.00 C ATOM 715 CG LEU A 44 13.211 -5.357 -6.161 1.00 0.00 C ATOM 716 CD1 LEU A 44 13.058 -4.896 -4.721 1.00 0.00 C ATOM 717 CD2 LEU A 44 13.867 -6.726 -6.223 1.00 0.00 C ATOM 0 H LEU A 44 9.625 -5.041 -7.966 1.00 0.00 H new ATOM 0 HA LEU A 44 11.545 -3.272 -6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.098 -5.701 -6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.879 -6.138 -7.644 1.00 0.00 H new ATOM 0 HG LEU A 44 13.855 -4.647 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.035 -4.882 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.630 -3.894 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.399 -5.581 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.834 -6.689 -5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.229 -7.458 -5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.009 -7.015 -7.264 1.00 0.00 H new ATOM 729 N ASP A 45 11.758 -3.959 -9.876 1.00 0.00 N ATOM 730 CA ASP A 45 12.487 -3.654 -11.100 1.00 0.00 C ATOM 731 C ASP A 45 12.442 -2.160 -11.409 1.00 0.00 C ATOM 732 O ASP A 45 13.449 -1.582 -11.817 1.00 0.00 O ATOM 733 CB ASP A 45 11.922 -4.440 -12.281 1.00 0.00 C ATOM 734 CG ASP A 45 12.976 -4.741 -13.329 1.00 0.00 C ATOM 735 OD1 ASP A 45 13.685 -5.758 -13.182 1.00 0.00 O ATOM 736 OD2 ASP A 45 13.095 -3.956 -14.293 1.00 0.00 O ATOM 0 H ASP A 45 10.835 -4.366 -10.024 1.00 0.00 H new ATOM 0 HA ASP A 45 13.525 -3.948 -10.943 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.494 -5.375 -11.921 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.111 -3.873 -12.737 1.00 0.00 H new ATOM 741 N LEU A 46 11.278 -1.536 -11.208 1.00 0.00 N ATOM 742 CA LEU A 46 11.144 -0.105 -11.484 1.00 0.00 C ATOM 743 C LEU A 46 11.911 0.724 -10.464 1.00 0.00 C ATOM 744 O LEU A 46 11.932 0.410 -9.272 1.00 0.00 O ATOM 745 CB LEU A 46 9.677 0.346 -11.510 1.00 0.00 C ATOM 746 CG LEU A 46 8.743 -0.346 -10.516 1.00 0.00 C ATOM 747 CD1 LEU A 46 8.502 0.542 -9.311 1.00 0.00 C ATOM 748 CD2 LEU A 46 7.422 -0.701 -11.181 1.00 0.00 C ATOM 0 H LEU A 46 10.432 -1.988 -10.862 1.00 0.00 H new ATOM 0 HA LEU A 46 11.568 0.059 -12.475 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.645 1.419 -11.321 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.287 0.187 -12.515 1.00 0.00 H new ATOM 0 HG LEU A 46 9.220 -1.267 -10.181 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.835 0.035 -8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.451 0.752 -8.818 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.046 1.478 -9.634 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.771 -1.192 -10.458 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.941 0.208 -11.543 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.606 -1.373 -12.019 1.00 0.00 H new ATOM 760 N LYS A 47 12.547 1.780 -10.948 1.00 0.00 N ATOM 761 CA LYS A 47 13.309 2.673 -10.090 1.00 0.00 C ATOM 762 C LYS A 47 12.576 3.997 -9.940 1.00 0.00 C ATOM 763 O LYS A 47 13.102 4.955 -9.375 1.00 0.00 O ATOM 764 CB LYS A 47 14.705 2.902 -10.667 1.00 0.00 C ATOM 765 CG LYS A 47 15.640 1.722 -10.473 1.00 0.00 C ATOM 766 CD LYS A 47 17.015 2.003 -11.052 1.00 0.00 C ATOM 767 CE LYS A 47 17.952 0.821 -10.865 1.00 0.00 C ATOM 768 NZ LYS A 47 19.303 1.095 -11.426 1.00 0.00 N ATOM 0 H LYS A 47 12.550 2.040 -11.934 1.00 0.00 H new ATOM 0 HA LYS A 47 13.413 2.213 -9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 47 14.619 3.116 -11.732 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.143 3.784 -10.199 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.730 1.498 -9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.216 0.838 -10.950 1.00 0.00 H new ATOM 0 HD2 LYS A 47 16.924 2.231 -12.114 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.440 2.884 -10.572 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.039 0.590 -9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.529 -0.059 -11.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 19.914 0.266 -11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.223 1.291 -12.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.717 1.920 -10.946 1.00 0.00 H new ATOM 782 N THR A 48 11.351 4.040 -10.453 1.00 0.00 N ATOM 783 CA THR A 48 10.531 5.239 -10.385 1.00 0.00 C ATOM 784 C THR A 48 9.777 5.307 -9.057 1.00 0.00 C ATOM 785 O THR A 48 9.041 4.387 -8.712 1.00 0.00 O ATOM 786 CB THR A 48 9.536 5.284 -11.557 1.00 0.00 C ATOM 787 OG1 THR A 48 9.097 3.957 -11.869 1.00 0.00 O ATOM 788 CG2 THR A 48 10.184 5.907 -12.783 1.00 0.00 C ATOM 0 H THR A 48 10.904 3.252 -10.922 1.00 0.00 H new ATOM 0 HA THR A 48 11.193 6.102 -10.454 1.00 0.00 H new ATOM 0 HB THR A 48 8.681 5.893 -11.264 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.462 3.989 -12.615 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.465 5.930 -13.602 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.502 6.923 -12.550 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.050 5.315 -13.077 1.00 0.00 H new ATOM 796 N PRO A 49 9.952 6.409 -8.304 1.00 0.00 N ATOM 797 CA PRO A 49 9.313 6.599 -6.990 1.00 0.00 C ATOM 798 C PRO A 49 7.788 6.685 -7.060 1.00 0.00 C ATOM 799 O PRO A 49 7.095 6.168 -6.183 1.00 0.00 O ATOM 800 CB PRO A 49 9.905 7.924 -6.493 1.00 0.00 C ATOM 801 CG PRO A 49 10.356 8.632 -7.722 1.00 0.00 C ATOM 802 CD PRO A 49 10.783 7.564 -8.686 1.00 0.00 C ATOM 0 HA PRO A 49 9.504 5.751 -6.332 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.162 8.509 -5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.736 7.753 -5.809 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.551 9.236 -8.141 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.181 9.309 -7.501 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.607 7.862 -9.720 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.846 7.342 -8.595 1.00 0.00 H new ATOM 810 N GLU A 50 7.275 7.337 -8.102 1.00 0.00 N ATOM 811 CA GLU A 50 5.834 7.485 -8.285 1.00 0.00 C ATOM 812 C GLU A 50 5.177 6.135 -8.566 1.00 0.00 C ATOM 813 O GLU A 50 4.065 5.870 -8.111 1.00 0.00 O ATOM 814 CB GLU A 50 5.539 8.451 -9.433 1.00 0.00 C ATOM 815 CG GLU A 50 5.789 9.911 -9.088 1.00 0.00 C ATOM 816 CD GLU A 50 5.480 10.836 -10.247 1.00 0.00 C ATOM 817 OE1 GLU A 50 4.321 11.289 -10.354 1.00 0.00 O ATOM 818 OE2 GLU A 50 6.396 11.104 -11.052 1.00 0.00 O ATOM 0 H GLU A 50 7.838 7.772 -8.833 1.00 0.00 H new ATOM 0 HA GLU A 50 5.419 7.888 -7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.155 8.180 -10.291 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.499 8.332 -9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.177 10.189 -8.230 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.830 10.039 -8.791 1.00 0.00 H new ATOM 825 N GLU A 51 5.880 5.284 -9.314 1.00 0.00 N ATOM 826 CA GLU A 51 5.370 3.962 -9.661 1.00 0.00 C ATOM 827 C GLU A 51 5.418 3.017 -8.457 1.00 0.00 C ATOM 828 O GLU A 51 4.562 2.145 -8.320 1.00 0.00 O ATOM 829 CB GLU A 51 6.164 3.373 -10.828 1.00 0.00 C ATOM 830 CG GLU A 51 5.362 2.415 -11.694 1.00 0.00 C ATOM 831 CD GLU A 51 5.855 2.370 -13.128 1.00 0.00 C ATOM 832 OE1 GLU A 51 6.988 1.895 -13.350 1.00 0.00 O ATOM 833 OE2 GLU A 51 5.106 2.804 -14.027 1.00 0.00 O ATOM 0 H GLU A 51 6.805 5.489 -9.691 1.00 0.00 H new ATOM 0 HA GLU A 51 4.329 4.073 -9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.535 4.187 -11.451 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.036 2.850 -10.435 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.413 1.414 -11.265 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.314 2.713 -11.684 1.00 0.00 H new ATOM 840 N GLN A 52 6.431 3.187 -7.599 1.00 0.00 N ATOM 841 CA GLN A 52 6.578 2.359 -6.400 1.00 0.00 C ATOM 842 C GLN A 52 5.375 2.521 -5.476 1.00 0.00 C ATOM 843 O GLN A 52 4.793 1.535 -5.023 1.00 0.00 O ATOM 844 CB GLN A 52 7.861 2.729 -5.650 1.00 0.00 C ATOM 845 CG GLN A 52 9.128 2.378 -6.410 1.00 0.00 C ATOM 846 CD GLN A 52 10.059 1.475 -5.628 1.00 0.00 C ATOM 847 OE1 GLN A 52 10.673 1.897 -4.649 1.00 0.00 O ATOM 848 NE2 GLN A 52 10.173 0.225 -6.059 1.00 0.00 N ATOM 0 H GLN A 52 7.160 3.891 -7.714 1.00 0.00 H new ATOM 0 HA GLN A 52 6.636 1.317 -6.716 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.856 3.799 -5.442 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.870 2.218 -4.687 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.859 1.889 -7.346 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.655 3.296 -6.669 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.645 -0.083 -6.876 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.789 -0.428 -5.574 1.00 0.00 H new ATOM 857 N ALA A 53 5.003 3.775 -5.213 1.00 0.00 N ATOM 858 CA ALA A 53 3.864 4.079 -4.352 1.00 0.00 C ATOM 859 C ALA A 53 2.558 3.605 -4.982 1.00 0.00 C ATOM 860 O ALA A 53 1.643 3.187 -4.276 1.00 0.00 O ATOM 861 CB ALA A 53 3.806 5.571 -4.055 1.00 0.00 C ATOM 0 H ALA A 53 5.477 4.597 -5.586 1.00 0.00 H new ATOM 0 HA ALA A 53 3.997 3.543 -3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.951 5.781 -3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.723 5.878 -3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.702 6.124 -4.989 1.00 0.00 H new ATOM 867 N LYS A 54 2.486 3.666 -6.316 1.00 0.00 N ATOM 868 CA LYS A 54 1.301 3.225 -7.052 1.00 0.00 C ATOM 869 C LYS A 54 1.159 1.708 -6.989 1.00 0.00 C ATOM 870 O LYS A 54 0.049 1.180 -6.962 1.00 0.00 O ATOM 871 CB LYS A 54 1.381 3.677 -8.510 1.00 0.00 C ATOM 872 CG LYS A 54 0.950 5.118 -8.726 1.00 0.00 C ATOM 873 CD LYS A 54 1.183 5.559 -10.161 1.00 0.00 C ATOM 874 CE LYS A 54 0.822 7.022 -10.364 1.00 0.00 C ATOM 875 NZ LYS A 54 1.058 7.465 -11.767 1.00 0.00 N ATOM 0 H LYS A 54 3.238 4.018 -6.908 1.00 0.00 H new ATOM 0 HA LYS A 54 0.426 3.678 -6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.405 3.556 -8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.755 3.024 -9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.106 5.224 -8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.503 5.770 -8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.229 5.402 -10.425 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.588 4.940 -10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.226 7.176 -10.106 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.411 7.639 -9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.799 8.468 -11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.063 7.342 -12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.477 6.894 -12.414 1.00 0.00 H new ATOM 889 N LYS A 55 2.295 1.011 -6.974 1.00 0.00 N ATOM 890 CA LYS A 55 2.301 -0.445 -6.889 1.00 0.00 C ATOM 891 C LYS A 55 1.882 -0.883 -5.496 1.00 0.00 C ATOM 892 O LYS A 55 1.393 -1.988 -5.310 1.00 0.00 O ATOM 893 CB LYS A 55 3.685 -1.007 -7.224 1.00 0.00 C ATOM 894 CG LYS A 55 3.754 -1.684 -8.584 1.00 0.00 C ATOM 895 CD LYS A 55 3.690 -0.667 -9.711 1.00 0.00 C ATOM 896 CE LYS A 55 3.656 -1.336 -11.074 1.00 0.00 C ATOM 897 NZ LYS A 55 3.399 -0.352 -12.161 1.00 0.00 N ATOM 0 H LYS A 55 3.222 1.434 -7.020 1.00 0.00 H new ATOM 0 HA LYS A 55 1.590 -0.835 -7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.414 -0.197 -7.193 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.973 -1.724 -6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.678 -2.257 -8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.931 -2.392 -8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.803 -0.045 -9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.554 -0.005 -9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.605 -1.841 -11.256 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.880 -2.102 -11.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.894 -0.820 -12.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.819 0.429 -11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.304 0.024 -12.510 1.00 0.00 H new ATOM 911 N LEU A 56 2.080 0.002 -4.523 1.00 0.00 N ATOM 912 CA LEU A 56 1.710 -0.281 -3.145 1.00 0.00 C ATOM 913 C LEU A 56 0.200 -0.209 -2.957 1.00 0.00 C ATOM 914 O LEU A 56 -0.398 -1.109 -2.368 1.00 0.00 O ATOM 915 CB LEU A 56 2.401 0.682 -2.190 1.00 0.00 C ATOM 916 CG LEU A 56 2.544 0.160 -0.762 1.00 0.00 C ATOM 917 CD1 LEU A 56 3.858 -0.586 -0.599 1.00 0.00 C ATOM 918 CD2 LEU A 56 2.445 1.302 0.236 1.00 0.00 C ATOM 0 H LEU A 56 2.496 0.922 -4.667 1.00 0.00 H new ATOM 0 HA LEU A 56 2.038 -1.295 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.392 0.913 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.841 1.617 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 56 1.729 -0.536 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.944 -0.952 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.886 -1.429 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.688 0.087 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.549 0.911 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.238 2.024 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.476 1.791 0.134 1.00 0.00 H new ATOM 930 N ILE A 57 -0.415 0.868 -3.452 1.00 0.00 N ATOM 931 CA ILE A 57 -1.862 1.029 -3.347 1.00 0.00 C ATOM 932 C ILE A 57 -2.565 -0.058 -4.141 1.00 0.00 C ATOM 933 O ILE A 57 -3.631 -0.533 -3.759 1.00 0.00 O ATOM 934 CB ILE A 57 -2.360 2.403 -3.847 1.00 0.00 C ATOM 935 CG1 ILE A 57 -1.357 3.058 -4.793 1.00 0.00 C ATOM 936 CG2 ILE A 57 -2.649 3.311 -2.670 1.00 0.00 C ATOM 937 CD1 ILE A 57 -2.009 3.936 -5.839 1.00 0.00 C ATOM 0 H ILE A 57 0.064 1.634 -3.925 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.100 0.956 -2.286 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.280 2.241 -4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.656 3.657 -4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.776 2.281 -5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.999 4.277 -3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.417 2.859 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.739 3.451 -2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.241 4.371 -6.479 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.689 3.337 -6.444 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.567 4.733 -5.348 1.00 0.00 H new ATOM 949 N ASP A 58 -1.937 -0.455 -5.242 1.00 0.00 N ATOM 950 CA ASP A 58 -2.476 -1.491 -6.101 1.00 0.00 C ATOM 951 C ASP A 58 -2.235 -2.870 -5.494 1.00 0.00 C ATOM 952 O ASP A 58 -2.901 -3.838 -5.846 1.00 0.00 O ATOM 953 CB ASP A 58 -1.841 -1.411 -7.490 1.00 0.00 C ATOM 954 CG ASP A 58 -2.652 -0.561 -8.449 1.00 0.00 C ATOM 955 OD1 ASP A 58 -2.416 0.663 -8.503 1.00 0.00 O ATOM 956 OD2 ASP A 58 -3.524 -1.120 -9.146 1.00 0.00 O ATOM 0 H ASP A 58 -1.048 -0.069 -5.558 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.551 -1.335 -6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.836 -0.998 -7.404 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.738 -2.417 -7.898 1.00 0.00 H new ATOM 961 N PHE A 59 -1.277 -2.947 -4.571 1.00 0.00 N ATOM 962 CA PHE A 59 -0.946 -4.203 -3.908 1.00 0.00 C ATOM 963 C PHE A 59 -1.973 -4.550 -2.832 1.00 0.00 C ATOM 964 O PHE A 59 -2.250 -5.719 -2.587 1.00 0.00 O ATOM 965 CB PHE A 59 0.444 -4.123 -3.274 1.00 0.00 C ATOM 966 CG PHE A 59 1.417 -5.137 -3.801 1.00 0.00 C ATOM 967 CD1 PHE A 59 2.182 -4.864 -4.924 1.00 0.00 C ATOM 968 CD2 PHE A 59 1.580 -6.357 -3.165 1.00 0.00 C ATOM 969 CE1 PHE A 59 3.081 -5.790 -5.410 1.00 0.00 C ATOM 970 CE2 PHE A 59 2.479 -7.288 -3.646 1.00 0.00 C ATOM 971 CZ PHE A 59 3.234 -7.003 -4.766 1.00 0.00 C ATOM 0 H PHE A 59 -0.717 -2.151 -4.266 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.957 -4.986 -4.666 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.850 -3.125 -3.440 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.348 -4.253 -2.196 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.073 -3.914 -5.425 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.998 -6.582 -2.284 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.664 -5.568 -6.292 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.591 -8.239 -3.146 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.943 -7.727 -5.138 1.00 0.00 H new ATOM 981 N ILE A 60 -2.538 -3.529 -2.194 1.00 0.00 N ATOM 982 CA ILE A 60 -3.517 -3.747 -1.130 1.00 0.00 C ATOM 983 C ILE A 60 -4.965 -3.615 -1.609 1.00 0.00 C ATOM 984 O ILE A 60 -5.860 -4.257 -1.060 1.00 0.00 O ATOM 985 CB ILE A 60 -3.294 -2.783 0.062 1.00 0.00 C ATOM 986 CG1 ILE A 60 -3.004 -1.355 -0.418 1.00 0.00 C ATOM 987 CG2 ILE A 60 -2.159 -3.279 0.940 1.00 0.00 C ATOM 988 CD1 ILE A 60 -4.209 -0.443 -0.376 1.00 0.00 C ATOM 0 H ILE A 60 -2.338 -2.549 -2.392 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.358 -4.775 -0.805 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.214 -2.762 0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.214 -0.927 0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.625 -1.394 -1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.015 -2.590 1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.403 -4.269 1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.242 -3.334 0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.927 0.549 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.994 -0.847 -1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.576 -0.372 0.648 1.00 0.00 H new ATOM 1000 N LEU A 61 -5.197 -2.800 -2.637 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.554 -2.583 -3.140 1.00 0.00 C ATOM 1002 C LEU A 61 -7.005 -3.678 -4.104 1.00 0.00 C ATOM 1003 O LEU A 61 -8.180 -3.737 -4.471 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.662 -1.219 -3.822 1.00 0.00 C ATOM 1005 CG LEU A 61 -7.994 -0.500 -3.606 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -8.040 0.137 -2.226 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -8.215 0.547 -4.685 1.00 0.00 C ATOM 0 H LEU A 61 -4.471 -2.283 -3.134 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.216 -2.615 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.857 -0.581 -3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.505 -1.350 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.796 -1.235 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.995 0.644 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.928 -0.635 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.229 0.860 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.168 1.049 -4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.408 1.279 -4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.228 0.065 -5.663 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.085 -4.547 -4.507 1.00 0.00 N ATOM 1020 CA LYS A 62 -6.419 -5.623 -5.436 1.00 0.00 C ATOM 1021 C LYS A 62 -6.672 -6.938 -4.713 1.00 0.00 C ATOM 1022 O LYS A 62 -7.170 -7.892 -5.309 1.00 0.00 O ATOM 1023 CB LYS A 62 -5.299 -5.806 -6.453 1.00 0.00 C ATOM 1024 CG LYS A 62 -5.380 -4.838 -7.614 1.00 0.00 C ATOM 1025 CD LYS A 62 -4.251 -5.069 -8.600 1.00 0.00 C ATOM 1026 CE LYS A 62 -4.292 -4.063 -9.735 1.00 0.00 C ATOM 1027 NZ LYS A 62 -3.137 -4.221 -10.658 1.00 0.00 N ATOM 0 H LYS A 62 -5.110 -4.530 -4.209 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.338 -5.338 -5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.339 -5.682 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.329 -6.826 -6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.338 -4.953 -8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.337 -3.815 -7.241 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.294 -4.997 -8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.320 -6.079 -9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.221 -4.182 -10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.294 -3.053 -9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.202 -3.515 -11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.251 -4.082 -10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.149 -5.176 -11.069 1.00 0.00 H new ATOM 1041 N LEU A 63 -6.329 -6.990 -3.433 1.00 0.00 N ATOM 1042 CA LEU A 63 -6.519 -8.201 -2.650 1.00 0.00 C ATOM 1043 C LEU A 63 -7.796 -8.132 -1.821 1.00 0.00 C ATOM 1044 O LEU A 63 -8.476 -7.104 -1.785 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.311 -8.446 -1.748 1.00 0.00 C ATOM 1046 CG LEU A 63 -4.051 -8.919 -2.479 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -2.811 -8.595 -1.664 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -4.127 -10.410 -2.767 1.00 0.00 C ATOM 0 H LEU A 63 -5.920 -6.211 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.616 -9.036 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.080 -7.524 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.580 -9.190 -0.998 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.986 -8.390 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.925 -8.938 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.748 -7.518 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.869 -9.097 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.223 -10.727 -3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.217 -10.958 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.996 -10.616 -3.392 1.00 0.00 H new ATOM 1060 N SER A 64 -8.111 -9.239 -1.158 1.00 0.00 N ATOM 1061 CA SER A 64 -9.309 -9.336 -0.333 1.00 0.00 C ATOM 1062 C SER A 64 -9.139 -8.604 1.005 1.00 0.00 C ATOM 1063 O SER A 64 -8.020 -8.315 1.426 1.00 0.00 O ATOM 1064 CB SER A 64 -9.641 -10.811 -0.095 1.00 0.00 C ATOM 1065 OG SER A 64 -9.843 -11.490 -1.324 1.00 0.00 O ATOM 0 H SER A 64 -7.547 -10.089 -1.177 1.00 0.00 H new ATOM 0 HA SER A 64 -10.130 -8.854 -0.863 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.830 -11.286 0.458 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.537 -10.891 0.521 1.00 0.00 H new ATOM 0 HG SER A 64 -10.052 -12.431 -1.147 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.264 -8.282 1.678 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.253 -7.585 2.978 1.00 0.00 C ATOM 1073 C PRO A 65 -9.480 -8.337 4.066 1.00 0.00 C ATOM 1074 O PRO A 65 -8.956 -7.725 4.995 1.00 0.00 O ATOM 1075 CB PRO A 65 -11.735 -7.491 3.348 1.00 0.00 C ATOM 1076 CG PRO A 65 -12.470 -7.633 2.059 1.00 0.00 C ATOM 1077 CD PRO A 65 -11.640 -8.548 1.214 1.00 0.00 C ATOM 0 HA PRO A 65 -9.749 -6.621 2.902 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.016 -8.276 4.050 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.961 -6.539 3.827 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.466 -8.046 2.220 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.601 -6.665 1.575 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -11.919 -9.592 1.358 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -11.756 -8.331 0.152 1.00 0.00 H new ATOM 1085 N ALA A 66 -9.419 -9.664 3.956 1.00 0.00 N ATOM 1086 CA ALA A 66 -8.702 -10.485 4.932 1.00 0.00 C ATOM 1087 C ALA A 66 -7.189 -10.370 4.748 1.00 0.00 C ATOM 1088 O ALA A 66 -6.421 -10.592 5.685 1.00 0.00 O ATOM 1089 CB ALA A 66 -9.143 -11.936 4.817 1.00 0.00 C ATOM 0 H ALA A 66 -9.857 -10.193 3.202 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.944 -10.118 5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.604 -12.539 5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.214 -12.007 5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.928 -12.303 3.814 1.00 0.00 H new ATOM 1095 N ASP A 67 -6.778 -10.015 3.534 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.363 -9.866 3.200 1.00 0.00 C ATOM 1097 C ASP A 67 -4.778 -8.571 3.772 1.00 0.00 C ATOM 1098 O ASP A 67 -3.660 -8.566 4.290 1.00 0.00 O ATOM 1099 CB ASP A 67 -5.188 -9.894 1.680 1.00 0.00 C ATOM 1100 CG ASP A 67 -3.872 -10.513 1.256 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -2.849 -9.801 1.281 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -3.864 -11.711 0.899 1.00 0.00 O ATOM 0 H ASP A 67 -7.411 -9.823 2.758 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.821 -10.698 3.649 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.009 -10.455 1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.249 -8.877 1.292 1.00 0.00 H new ATOM 1107 N VAL A 68 -5.542 -7.479 3.691 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.085 -6.179 4.192 1.00 0.00 C ATOM 1109 C VAL A 68 -5.025 -6.144 5.720 1.00 0.00 C ATOM 1110 O VAL A 68 -4.205 -5.429 6.290 1.00 0.00 O ATOM 1111 CB VAL A 68 -5.953 -4.998 3.688 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -5.613 -4.658 2.245 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -7.439 -5.293 3.828 1.00 0.00 C ATOM 0 H VAL A 68 -6.477 -7.468 3.285 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.079 -6.056 3.791 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.725 -4.135 4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.234 -3.827 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.562 -4.377 2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.799 -5.526 1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.015 -4.442 3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.691 -6.178 3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.677 -5.471 4.877 1.00 0.00 H new ATOM 1123 N GLN A 69 -5.913 -6.908 6.369 1.00 0.00 N ATOM 1124 CA GLN A 69 -5.988 -6.973 7.838 1.00 0.00 C ATOM 1125 C GLN A 69 -4.625 -7.227 8.489 1.00 0.00 C ATOM 1126 O GLN A 69 -4.347 -6.717 9.574 1.00 0.00 O ATOM 1127 CB GLN A 69 -6.974 -8.064 8.264 1.00 0.00 C ATOM 1128 CG GLN A 69 -8.151 -7.544 9.074 1.00 0.00 C ATOM 1129 CD GLN A 69 -9.234 -6.934 8.205 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -10.148 -7.626 7.757 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -9.138 -5.633 7.962 1.00 0.00 N ATOM 0 H GLN A 69 -6.598 -7.497 5.895 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.335 -5.999 8.182 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.351 -8.567 7.374 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.442 -8.812 8.852 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.576 -8.362 9.657 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.797 -6.797 9.784 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.364 -5.097 8.353 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.839 -5.169 7.384 1.00 0.00 H new ATOM 1140 N ALA A 70 -3.782 -8.016 7.819 1.00 0.00 N ATOM 1141 CA ALA A 70 -2.453 -8.347 8.327 1.00 0.00 C ATOM 1142 C ALA A 70 -1.516 -7.145 8.260 1.00 0.00 C ATOM 1143 O ALA A 70 -0.694 -6.938 9.152 1.00 0.00 O ATOM 1144 CB ALA A 70 -1.871 -9.513 7.542 1.00 0.00 C ATOM 0 H ALA A 70 -4.001 -8.439 6.917 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.553 -8.633 9.374 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.880 -9.753 7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.521 -10.382 7.646 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.795 -9.241 6.489 1.00 0.00 H new ATOM 1150 N ARG A 71 -1.650 -6.358 7.197 1.00 0.00 N ATOM 1151 CA ARG A 71 -0.824 -5.170 6.997 1.00 0.00 C ATOM 1152 C ARG A 71 -1.235 -4.042 7.937 1.00 0.00 C ATOM 1153 O ARG A 71 -0.403 -3.237 8.349 1.00 0.00 O ATOM 1154 CB ARG A 71 -0.948 -4.681 5.558 1.00 0.00 C ATOM 1155 CG ARG A 71 -0.249 -5.564 4.537 1.00 0.00 C ATOM 1156 CD ARG A 71 0.076 -4.790 3.269 1.00 0.00 C ATOM 1157 NE ARG A 71 1.221 -3.896 3.449 1.00 0.00 N ATOM 1158 CZ ARG A 71 1.764 -3.173 2.470 1.00 0.00 C ATOM 1159 NH1 ARG A 71 1.273 -3.236 1.239 1.00 0.00 N ATOM 1160 NH2 ARG A 71 2.803 -2.388 2.719 1.00 0.00 N ATOM 0 H ARG A 71 -2.329 -6.523 6.454 1.00 0.00 H new ATOM 0 HA ARG A 71 0.208 -5.448 7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.005 -4.612 5.299 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.537 -3.673 5.492 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.669 -5.964 4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.884 -6.415 4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.287 -5.491 2.461 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.794 -4.208 2.967 1.00 0.00 H new ATOM 0 HE ARG A 71 1.628 -3.822 4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.476 -3.840 1.038 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.693 -2.680 0.494 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.189 -2.336 3.662 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.217 -1.836 1.968 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.525 -3.985 8.265 1.00 0.00 N ATOM 1175 CA ILE A 72 -3.040 -2.942 9.149 1.00 0.00 C ATOM 1176 C ILE A 72 -2.575 -3.149 10.592 1.00 0.00 C ATOM 1177 O ILE A 72 -2.292 -2.178 11.298 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.588 -2.859 9.103 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.059 -2.525 7.686 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -5.107 -1.811 10.085 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.366 -3.187 7.306 1.00 0.00 C ATOM 0 H ILE A 72 -3.229 -4.645 7.934 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.635 -1.998 8.783 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.988 -3.831 9.392 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.170 -1.444 7.595 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.289 -2.828 6.976 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.195 -1.772 10.034 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.801 -2.077 11.097 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.696 -0.835 9.826 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.635 -2.903 6.289 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.256 -4.270 7.364 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.150 -2.865 7.992 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.476 -4.409 11.028 1.00 0.00 N ATOM 1194 CA ASN A 73 -2.048 -4.690 12.398 1.00 0.00 C ATOM 1195 C ASN A 73 -0.553 -4.415 12.595 1.00 0.00 C ATOM 1196 O ASN A 73 -0.151 -3.961 13.665 1.00 0.00 O ATOM 1197 CB ASN A 73 -2.439 -6.115 12.843 1.00 0.00 C ATOM 1198 CG ASN A 73 -1.732 -7.243 12.110 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -0.507 -7.339 12.098 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -2.516 -8.124 11.509 1.00 0.00 N ATOM 0 H ASN A 73 -2.682 -5.234 10.464 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.585 -4.000 13.048 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.235 -6.213 13.909 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.514 -6.236 12.711 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.107 -8.916 11.014 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.529 -8.010 11.541 1.00 0.00 H new ATOM 1207 N VAL A 74 0.274 -4.695 11.579 1.00 0.00 N ATOM 1208 CA VAL A 74 1.711 -4.430 11.693 1.00 0.00 C ATOM 1209 C VAL A 74 2.003 -2.937 11.559 1.00 0.00 C ATOM 1210 O VAL A 74 2.868 -2.408 12.248 1.00 0.00 O ATOM 1211 CB VAL A 74 2.573 -5.211 10.669 1.00 0.00 C ATOM 1212 CG1 VAL A 74 2.769 -6.652 11.115 1.00 0.00 C ATOM 1213 CG2 VAL A 74 1.972 -5.159 9.274 1.00 0.00 C ATOM 0 H VAL A 74 -0.020 -5.096 10.688 1.00 0.00 H new ATOM 0 HA VAL A 74 1.991 -4.782 12.686 1.00 0.00 H new ATOM 0 HB VAL A 74 3.548 -4.726 10.626 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.377 -7.181 10.381 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.272 -6.668 12.082 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.799 -7.141 11.202 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.605 -5.718 8.584 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.975 -5.600 9.291 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.904 -4.122 8.945 1.00 0.00 H new ATOM 1223 N LEU A 75 1.264 -2.268 10.669 1.00 0.00 N ATOM 1224 CA LEU A 75 1.441 -0.834 10.419 1.00 0.00 C ATOM 1225 C LEU A 75 1.281 -0.005 11.691 1.00 0.00 C ATOM 1226 O LEU A 75 2.066 0.909 11.942 1.00 0.00 O ATOM 1227 CB LEU A 75 0.437 -0.359 9.361 1.00 0.00 C ATOM 1228 CG LEU A 75 0.980 0.658 8.353 1.00 0.00 C ATOM 1229 CD1 LEU A 75 2.058 0.029 7.489 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.142 1.205 7.484 1.00 0.00 C ATOM 0 H LEU A 75 0.532 -2.701 10.106 1.00 0.00 H new ATOM 0 HA LEU A 75 2.459 -0.689 10.056 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.072 -1.228 8.814 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.421 0.081 9.870 1.00 0.00 H new ATOM 0 HG LEU A 75 1.420 1.486 8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.432 0.767 6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.877 -0.314 8.121 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.640 -0.818 6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.265 1.926 6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.613 0.386 6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.884 1.696 8.114 1.00 0.00 H new ATOM 1242 N ARG A 76 0.278 -0.341 12.496 1.00 0.00 N ATOM 1243 CA ARG A 76 0.005 0.383 13.738 1.00 0.00 C ATOM 1244 C ARG A 76 1.096 0.165 14.789 1.00 0.00 C ATOM 1245 O ARG A 76 1.440 1.083 15.532 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.349 -0.051 14.306 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.536 0.390 13.463 1.00 0.00 C ATOM 1248 CD ARG A 76 -3.087 1.729 13.926 1.00 0.00 C ATOM 1249 NE ARG A 76 -4.257 2.136 13.150 1.00 0.00 N ATOM 1250 CZ ARG A 76 -4.961 3.239 13.394 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -4.612 4.047 14.386 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -6.013 3.538 12.642 1.00 0.00 N ATOM 0 H ARG A 76 -0.363 -1.113 12.312 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.012 1.446 13.497 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.363 -1.137 14.397 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.458 0.355 15.312 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.234 0.462 12.418 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.321 -0.365 13.516 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.355 1.666 14.981 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.311 2.490 13.839 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.551 1.540 12.376 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.802 3.824 14.964 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.153 4.891 14.570 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.283 2.922 11.875 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.551 4.384 12.831 1.00 0.00 H new ATOM 1266 N ALA A 77 1.644 -1.045 14.840 1.00 0.00 N ATOM 1267 CA ALA A 77 2.668 -1.379 15.827 1.00 0.00 C ATOM 1268 C ALA A 77 4.086 -1.029 15.366 1.00 0.00 C ATOM 1269 O ALA A 77 5.007 -0.982 16.182 1.00 0.00 O ATOM 1270 CB ALA A 77 2.580 -2.853 16.183 1.00 0.00 C ATOM 0 H ALA A 77 1.398 -1.810 14.212 1.00 0.00 H new ATOM 0 HA ALA A 77 2.470 -0.769 16.709 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.346 -3.096 16.919 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.596 -3.069 16.599 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.735 -3.454 15.287 1.00 0.00 H new ATOM 1276 N HIS A 78 4.263 -0.776 14.072 1.00 0.00 N ATOM 1277 CA HIS A 78 5.587 -0.449 13.536 1.00 0.00 C ATOM 1278 C HIS A 78 5.848 1.057 13.517 1.00 0.00 C ATOM 1279 O HIS A 78 6.941 1.497 13.156 1.00 0.00 O ATOM 1280 CB HIS A 78 5.760 -1.037 12.132 1.00 0.00 C ATOM 1281 CG HIS A 78 6.257 -2.451 12.149 1.00 0.00 C ATOM 1282 ND1 HIS A 78 5.417 -3.543 12.233 1.00 0.00 N ATOM 1283 CD2 HIS A 78 7.515 -2.951 12.123 1.00 0.00 C ATOM 1284 CE1 HIS A 78 6.136 -4.650 12.261 1.00 0.00 C ATOM 1285 NE2 HIS A 78 7.409 -4.319 12.197 1.00 0.00 N ATOM 0 H HIS A 78 3.515 -0.790 13.378 1.00 0.00 H new ATOM 0 HA HIS A 78 6.322 -0.898 14.204 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.805 -0.999 11.608 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.458 -0.419 11.568 1.00 0.00 H new ATOM 0 HD1 HIS A 78 4.398 -3.501 12.268 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.430 -2.381 12.057 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.747 -5.655 12.325 1.00 0.00 H new ATOM 1294 N GLY A 79 4.849 1.847 13.908 1.00 0.00 N ATOM 1295 CA GLY A 79 5.017 3.292 13.942 1.00 0.00 C ATOM 1296 C GLY A 79 4.341 4.005 12.785 1.00 0.00 C ATOM 1297 O GLY A 79 4.353 5.236 12.722 1.00 0.00 O ATOM 0 H GLY A 79 3.930 1.514 14.201 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.615 3.675 14.880 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.081 3.527 13.932 1.00 0.00 H new ATOM 1301 N TYR A 80 3.748 3.239 11.876 1.00 0.00 N ATOM 1302 CA TYR A 80 3.060 3.808 10.718 1.00 0.00 C ATOM 1303 C TYR A 80 1.552 3.866 10.977 1.00 0.00 C ATOM 1304 O TYR A 80 0.740 3.452 10.151 1.00 0.00 O ATOM 1305 CB TYR A 80 3.375 2.983 9.466 1.00 0.00 C ATOM 1306 CG TYR A 80 4.840 3.002 9.084 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.349 3.982 8.240 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.714 2.039 9.571 1.00 0.00 C ATOM 1309 CE1 TYR A 80 6.688 4.004 7.896 1.00 0.00 C ATOM 1310 CE2 TYR A 80 7.052 2.054 9.232 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.534 3.037 8.395 1.00 0.00 C ATOM 1312 OH TYR A 80 8.868 3.052 8.060 1.00 0.00 O ATOM 0 H TYR A 80 3.729 2.220 11.917 1.00 0.00 H new ATOM 0 HA TYR A 80 3.413 4.826 10.553 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.064 1.952 9.632 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.785 3.363 8.632 1.00 0.00 H new ATOM 0 HD1 TYR A 80 4.687 4.739 7.846 1.00 0.00 H new ATOM 0 HD2 TYR A 80 5.341 1.266 10.226 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.068 4.774 7.241 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.718 1.298 9.621 1.00 0.00 H new ATOM 0 HH TYR A 80 9.066 3.861 7.543 1.00 0.00 H new ATOM 1322 N GLN A 81 1.210 4.394 12.150 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.176 4.528 12.603 1.00 0.00 C ATOM 1324 C GLN A 81 -0.980 5.499 11.740 1.00 0.00 C ATOM 1325 O GLN A 81 -2.137 5.230 11.417 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.203 5.001 14.058 1.00 0.00 C ATOM 1327 CG GLN A 81 0.246 3.945 15.054 1.00 0.00 C ATOM 1328 CD GLN A 81 0.299 4.471 16.476 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -0.692 4.423 17.204 1.00 0.00 O ATOM 1330 NE2 GLN A 81 1.459 4.976 16.880 1.00 0.00 N ATOM 0 H GLN A 81 1.893 4.745 12.821 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.640 3.545 12.515 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.438 5.877 14.158 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.216 5.317 14.309 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.436 3.096 15.010 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.232 3.578 14.769 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.256 4.996 16.243 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.553 5.344 17.827 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.364 6.630 11.383 1.00 0.00 N ATOM 1340 CA ALA A 82 -1.020 7.647 10.555 1.00 0.00 C ATOM 1341 C ALA A 82 -1.432 7.074 9.204 1.00 0.00 C ATOM 1342 O ALA A 82 -2.461 7.452 8.640 1.00 0.00 O ATOM 1343 CB ALA A 82 -0.095 8.842 10.366 1.00 0.00 C ATOM 0 H ALA A 82 0.591 6.865 11.655 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.924 7.975 11.069 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.591 9.592 9.750 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.146 9.273 11.338 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.823 8.518 9.875 1.00 0.00 H new ATOM 1349 N LEU A 83 -0.616 6.155 8.700 1.00 0.00 N ATOM 1350 CA LEU A 83 -0.866 5.497 7.426 1.00 0.00 C ATOM 1351 C LEU A 83 -2.002 4.483 7.548 1.00 0.00 C ATOM 1352 O LEU A 83 -2.823 4.343 6.642 1.00 0.00 O ATOM 1353 CB LEU A 83 0.408 4.792 6.956 1.00 0.00 C ATOM 1354 CG LEU A 83 1.435 5.684 6.255 1.00 0.00 C ATOM 1355 CD1 LEU A 83 2.278 6.441 7.269 1.00 0.00 C ATOM 1356 CD2 LEU A 83 2.325 4.852 5.348 1.00 0.00 C ATOM 0 H LEU A 83 0.238 5.846 9.165 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.159 6.253 6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.885 4.328 7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.127 3.988 6.276 1.00 0.00 H new ATOM 0 HG LEU A 83 0.896 6.411 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.000 7.068 6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.632 7.067 7.884 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.807 5.731 7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.050 5.500 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.850 4.103 5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.714 4.355 4.595 1.00 0.00 H new ATOM 1368 N ALA A 84 -2.042 3.789 8.688 1.00 0.00 N ATOM 1369 CA ALA A 84 -3.052 2.764 8.949 1.00 0.00 C ATOM 1370 C ALA A 84 -4.448 3.351 9.159 1.00 0.00 C ATOM 1371 O ALA A 84 -5.443 2.637 9.050 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.645 1.924 10.152 1.00 0.00 C ATOM 0 H ALA A 84 -1.379 3.922 9.451 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.105 2.133 8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.403 1.164 10.338 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.689 1.441 9.952 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.551 2.565 11.028 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.522 4.644 9.464 1.00 0.00 N ATOM 1379 CA ASP A 85 -5.809 5.304 9.680 1.00 0.00 C ATOM 1380 C ASP A 85 -6.390 5.824 8.366 1.00 0.00 C ATOM 1381 O ASP A 85 -7.607 5.947 8.220 1.00 0.00 O ATOM 1382 CB ASP A 85 -5.655 6.460 10.671 1.00 0.00 C ATOM 1383 CG ASP A 85 -6.940 6.753 11.421 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -7.165 6.127 12.479 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -7.721 7.608 10.953 1.00 0.00 O ATOM 0 H ASP A 85 -3.711 5.254 9.567 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.497 4.566 10.093 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.867 6.220 11.385 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.338 7.355 10.135 1.00 0.00 H new ATOM 1390 N LYS A 86 -5.511 6.114 7.410 1.00 0.00 N ATOM 1391 CA LYS A 86 -5.929 6.640 6.116 1.00 0.00 C ATOM 1392 C LYS A 86 -6.495 5.551 5.201 1.00 0.00 C ATOM 1393 O LYS A 86 -7.582 5.710 4.649 1.00 0.00 O ATOM 1394 CB LYS A 86 -4.755 7.347 5.432 1.00 0.00 C ATOM 1395 CG LYS A 86 -4.435 8.706 6.036 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.290 9.393 5.307 1.00 0.00 C ATOM 1397 CE LYS A 86 -2.968 10.747 5.921 1.00 0.00 C ATOM 1398 NZ LYS A 86 -1.866 11.443 5.197 1.00 0.00 N ATOM 0 H LYS A 86 -4.503 5.993 7.509 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.730 7.356 6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.871 6.712 5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.983 7.472 4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.322 9.339 5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.175 8.584 7.088 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.404 8.758 5.339 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.552 9.522 4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.861 11.372 5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.687 10.613 6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.679 12.361 5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.006 10.859 5.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.143 11.595 4.206 1.00 0.00 H new ATOM 1412 N LEU A 87 -5.770 4.442 5.052 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.216 3.357 4.177 1.00 0.00 C ATOM 1414 C LEU A 87 -7.401 2.581 4.760 1.00 0.00 C ATOM 1415 O LEU A 87 -8.241 2.090 4.010 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.060 2.391 3.863 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.246 1.897 5.066 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -4.761 0.550 5.550 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -2.774 1.795 4.699 1.00 0.00 C ATOM 0 H LEU A 87 -4.880 4.272 5.521 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.553 3.826 3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.469 1.523 3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.380 2.884 3.168 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.359 2.618 5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.169 0.219 6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.805 0.645 5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.678 -0.181 4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.208 1.443 5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.652 1.093 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.405 2.776 4.398 1.00 0.00 H new ATOM 1431 N ASN A 88 -7.469 2.479 6.087 1.00 0.00 N ATOM 1432 CA ASN A 88 -8.547 1.741 6.748 1.00 0.00 C ATOM 1433 C ASN A 88 -9.892 2.459 6.639 1.00 0.00 C ATOM 1434 O ASN A 88 -10.930 1.818 6.471 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.208 1.513 8.221 1.00 0.00 C ATOM 1436 CG ASN A 88 -8.831 0.245 8.772 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -8.274 -0.842 8.638 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -9.994 0.381 9.397 1.00 0.00 N ATOM 0 H ASN A 88 -6.792 2.897 6.725 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.638 0.783 6.236 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.125 1.462 8.337 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.552 2.366 8.806 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.461 -0.437 9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.421 1.303 9.485 1.00 0.00 H new ATOM 1445 N LYS A 89 -9.869 3.785 6.726 1.00 0.00 N ATOM 1446 CA LYS A 89 -11.094 4.575 6.659 1.00 0.00 C ATOM 1447 C LYS A 89 -11.670 4.614 5.245 1.00 0.00 C ATOM 1448 O LYS A 89 -12.875 4.446 5.058 1.00 0.00 O ATOM 1449 CB LYS A 89 -10.833 5.995 7.160 1.00 0.00 C ATOM 1450 CG LYS A 89 -12.032 6.623 7.846 1.00 0.00 C ATOM 1451 CD LYS A 89 -11.711 8.008 8.374 1.00 0.00 C ATOM 1452 CE LYS A 89 -12.933 8.653 9.005 1.00 0.00 C ATOM 1453 NZ LYS A 89 -12.632 10.007 9.544 1.00 0.00 N ATOM 0 H LYS A 89 -9.018 4.335 6.843 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.831 4.094 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.994 5.978 7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.537 6.621 6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.863 6.684 7.143 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.356 5.986 8.669 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.910 7.943 9.110 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.345 8.634 7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.728 8.727 8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.305 8.017 9.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.492 10.412 9.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.891 9.935 10.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.302 10.622 8.773 1.00 0.00 H new ATOM 1467 N TYR A 90 -10.804 4.836 4.259 1.00 0.00 N ATOM 1468 CA TYR A 90 -11.227 4.894 2.860 1.00 0.00 C ATOM 1469 C TYR A 90 -11.693 3.525 2.375 1.00 0.00 C ATOM 1470 O TYR A 90 -12.507 3.421 1.456 1.00 0.00 O ATOM 1471 CB TYR A 90 -10.082 5.400 1.983 1.00 0.00 C ATOM 1472 CG TYR A 90 -9.972 6.905 1.958 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -10.727 7.660 1.071 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -9.113 7.572 2.822 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -10.633 9.037 1.052 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -9.016 8.947 2.809 1.00 0.00 C ATOM 1477 CZ TYR A 90 -9.773 9.675 1.919 1.00 0.00 C ATOM 1478 OH TYR A 90 -9.675 11.046 1.906 1.00 0.00 O ATOM 0 H TYR A 90 -9.804 4.979 4.402 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.065 5.587 2.786 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.143 4.980 2.344 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.224 5.036 0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.398 7.163 0.386 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.511 7.004 3.516 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.231 9.612 0.360 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -8.350 9.451 3.494 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.479 11.428 1.496 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.166 2.483 3.005 1.00 0.00 N ATOM 1489 CA LEU A 91 -11.499 1.107 2.666 1.00 0.00 C ATOM 1490 C LEU A 91 -12.961 0.780 2.988 1.00 0.00 C ATOM 1491 O LEU A 91 -13.610 0.025 2.264 1.00 0.00 O ATOM 1492 CB LEU A 91 -10.571 0.169 3.433 1.00 0.00 C ATOM 1493 CG LEU A 91 -10.888 -1.316 3.320 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -9.987 -1.974 2.286 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -10.733 -1.980 4.677 1.00 0.00 C ATOM 0 H LEU A 91 -10.494 2.569 3.767 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.366 0.974 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.551 0.331 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.594 0.447 4.487 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.920 -1.437 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.226 -3.035 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.143 -1.503 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.945 -1.856 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.961 -3.042 4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.708 -1.856 5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.418 -1.519 5.388 1.00 0.00 H new ATOM 1507 N THR A 92 -13.474 1.351 4.077 1.00 0.00 N ATOM 1508 CA THR A 92 -14.855 1.111 4.492 1.00 0.00 C ATOM 1509 C THR A 92 -15.780 2.240 4.038 1.00 0.00 C ATOM 1510 O THR A 92 -16.923 2.341 4.489 1.00 0.00 O ATOM 1511 CB THR A 92 -14.964 0.942 6.021 1.00 0.00 C ATOM 1512 OG1 THR A 92 -13.728 0.443 6.549 1.00 0.00 O ATOM 1513 CG2 THR A 92 -16.093 -0.015 6.379 1.00 0.00 C ATOM 0 H THR A 92 -12.955 1.982 4.687 1.00 0.00 H new ATOM 0 HA THR A 92 -15.169 0.184 4.012 1.00 0.00 H new ATOM 0 HB THR A 92 -15.179 1.917 6.458 1.00 0.00 H new ATOM 0 HG1 THR A 92 -13.805 0.340 7.521 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.152 -0.119 7.462 1.00 0.00 H new ATOM 0 HG22 THR A 92 -17.037 0.378 6.001 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.900 -0.990 5.931 1.00 0.00 H new ATOM 1521 N LEU A 93 -15.286 3.078 3.131 1.00 0.00 N ATOM 1522 CA LEU A 93 -16.068 4.200 2.615 1.00 0.00 C ATOM 1523 C LEU A 93 -17.047 3.754 1.527 1.00 0.00 C ATOM 1524 O LEU A 93 -17.659 4.590 0.860 1.00 0.00 O ATOM 1525 CB LEU A 93 -15.141 5.286 2.069 1.00 0.00 C ATOM 1526 CG LEU A 93 -15.750 6.688 2.013 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -15.652 7.370 3.369 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -15.067 7.523 0.943 1.00 0.00 C ATOM 0 H LEU A 93 -14.348 3.002 2.737 1.00 0.00 H new ATOM 0 HA LEU A 93 -16.649 4.604 3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -14.243 5.321 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -14.826 5.003 1.065 1.00 0.00 H new ATOM 0 HG LEU A 93 -16.805 6.594 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -16.091 8.366 3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -16.190 6.781 4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -14.605 7.452 3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -15.513 8.517 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -14.004 7.608 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -15.193 7.044 -0.028 1.00 0.00 H new