USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 423 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN :FLIP amide:sc= -2.07! C(o=-6.4!,f=-1.8!) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= 0.252 F(o=-5.3!,f=-1.8) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.476 K(o=1.2,f=-1.8) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.686 K(o=1.2,f=-1.2) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.0313 K(o=-0.68,f=-6!) USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -0.652 F(o=-2.4,f=-0.68) USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= -0.0951 (180deg=-0.597) USER MOD Single : A 9 MET CE :methyl -145:sc= -0.227 (180deg=-3.32!) USER MOD Single : A 11 ASN : amide:sc= -0.0253 X(o=-0.025,f=-0.47) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.517 K(o=0.52,f=-3.5!) USER MOD Single : A 24 ASN : amide:sc= 0.507 K(o=0.51,f=-4.7!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= 0.0154 (180deg=-0.151) USER MOD Single : A 33 SER OG : rot 73:sc= 1.23 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -89:sc= 0.367 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 0.723 (180deg=0.69) USER MOD Single : A 58 LYS NZ :NH3+ -158:sc= 2.21 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 -0.974 13.386 0.082 1.00 0.00 N ATOM 100 CA LYS A 7 -1.885 12.896 -0.963 1.00 0.00 C ATOM 101 C LYS A 7 -1.364 11.598 -1.594 1.00 0.00 C ATOM 102 O LYS A 7 -2.151 10.721 -1.964 1.00 0.00 O ATOM 103 CB LYS A 7 -2.053 13.962 -2.062 1.00 0.00 C ATOM 104 CG LYS A 7 -2.589 15.281 -1.471 1.00 0.00 C ATOM 105 CD LYS A 7 -4.013 15.084 -0.924 1.00 0.00 C ATOM 106 CE LYS A 7 -4.624 16.444 -0.562 1.00 0.00 C ATOM 107 NZ LYS A 7 -4.836 17.246 -1.803 1.00 0.00 N ATOM 0 HA LYS A 7 -2.848 12.693 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.095 14.140 -2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.738 13.597 -2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.930 15.624 -0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.591 16.056 -2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.632 14.583 -1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.989 14.440 -0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.572 16.301 -0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.965 16.980 0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.572 17.960 -1.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.948 17.720 -2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.135 16.617 -2.576 1.00 0.00 H new ATOM 121 N GLU A 8 -0.037 11.486 -1.709 1.00 0.00 N ATOM 122 CA GLU A 8 0.580 10.295 -2.292 1.00 0.00 C ATOM 123 C GLU A 8 0.234 9.055 -1.462 1.00 0.00 C ATOM 124 O GLU A 8 -0.121 8.005 -2.015 1.00 0.00 O ATOM 125 CB GLU A 8 2.104 10.484 -2.351 1.00 0.00 C ATOM 126 CG GLU A 8 2.755 9.317 -3.111 1.00 0.00 C ATOM 127 CD GLU A 8 4.278 9.493 -3.150 1.00 0.00 C ATOM 128 OE1 GLU A 8 4.892 9.441 -2.095 1.00 0.00 O ATOM 129 OE2 GLU A 8 4.809 9.672 -4.236 1.00 0.00 O ATOM 0 H GLU A 8 0.625 12.201 -1.408 1.00 0.00 H new ATOM 0 HA GLU A 8 0.195 10.152 -3.302 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.342 11.426 -2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.510 10.541 -1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.503 8.373 -2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.361 9.270 -4.126 1.00 0.00 H new ATOM 136 N MET A 9 0.324 9.191 -0.135 1.00 0.00 N ATOM 137 CA MET A 9 0.005 8.085 0.768 1.00 0.00 C ATOM 138 C MET A 9 -1.464 7.705 0.641 1.00 0.00 C ATOM 139 O MET A 9 -1.807 6.524 0.676 1.00 0.00 O ATOM 140 CB MET A 9 0.317 8.475 2.221 1.00 0.00 C ATOM 141 CG MET A 9 1.838 8.522 2.434 1.00 0.00 C ATOM 142 SD MET A 9 2.311 10.132 3.116 1.00 0.00 S ATOM 143 CE MET A 9 3.775 10.402 2.086 1.00 0.00 C ATOM 0 H MET A 9 0.613 10.050 0.333 1.00 0.00 H new ATOM 0 HA MET A 9 0.618 7.227 0.492 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.121 9.447 2.448 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.133 7.755 2.905 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.145 7.725 3.112 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.353 8.352 1.488 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.536 10.925 2.665 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.168 9.441 1.754 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.503 11.003 1.218 1.00 0.00 H new ATOM 153 N ARG A 10 -2.325 8.718 0.487 1.00 0.00 N ATOM 154 CA ARG A 10 -3.766 8.488 0.349 1.00 0.00 C ATOM 155 C ARG A 10 -4.057 7.605 -0.866 1.00 0.00 C ATOM 156 O ARG A 10 -4.933 6.733 -0.817 1.00 0.00 O ATOM 157 CB ARG A 10 -4.501 9.832 0.211 1.00 0.00 C ATOM 158 CG ARG A 10 -6.023 9.610 0.253 1.00 0.00 C ATOM 159 CD ARG A 10 -6.756 10.944 0.050 1.00 0.00 C ATOM 160 NE ARG A 10 -6.459 11.865 1.152 1.00 0.00 N ATOM 161 CZ ARG A 10 -6.985 13.092 1.212 1.00 0.00 C ATOM 162 NH1 ARG A 10 -7.792 13.520 0.278 1.00 0.00 N ATOM 163 NH2 ARG A 10 -6.688 13.872 2.212 1.00 0.00 N ATOM 0 H ARG A 10 -2.050 9.700 0.455 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.122 7.975 1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.201 10.503 1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.222 10.313 -0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.317 8.903 -0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.308 9.171 1.209 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.454 11.391 -0.897 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.831 10.770 -0.007 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.831 11.560 1.896 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.027 12.915 -0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.187 14.459 0.336 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.057 13.545 2.944 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.086 14.810 2.263 1.00 0.00 H new ATOM 177 N ASN A 11 -3.315 7.838 -1.955 1.00 0.00 N ATOM 178 CA ASN A 11 -3.495 7.063 -3.183 1.00 0.00 C ATOM 179 C ASN A 11 -3.118 5.594 -2.967 1.00 0.00 C ATOM 180 O ASN A 11 -3.928 4.700 -3.225 1.00 0.00 O ATOM 181 CB ASN A 11 -2.643 7.654 -4.318 1.00 0.00 C ATOM 182 CG ASN A 11 -3.064 9.096 -4.619 1.00 0.00 C ATOM 183 OD1 ASN A 11 -4.255 9.412 -4.635 1.00 0.00 O ATOM 184 ND2 ASN A 11 -2.152 9.995 -4.865 1.00 0.00 N ATOM 0 H ASN A 11 -2.589 8.553 -2.009 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.548 7.114 -3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.590 7.628 -4.039 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.750 7.044 -5.215 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.425 10.956 -5.070 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.165 9.737 -4.853 1.00 0.00 H new ATOM 191 N ALA A 12 -1.889 5.349 -2.493 1.00 0.00 N ATOM 192 CA ALA A 12 -1.433 3.971 -2.257 1.00 0.00 C ATOM 193 C ALA A 12 -2.274 3.294 -1.167 1.00 0.00 C ATOM 194 O ALA A 12 -2.536 2.092 -1.240 1.00 0.00 O ATOM 195 CB ALA A 12 0.054 3.950 -1.870 1.00 0.00 C ATOM 0 H ALA A 12 -1.204 6.071 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.560 3.413 -3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.371 2.921 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.646 4.384 -2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.201 4.530 -0.959 1.00 0.00 H new ATOM 201 N TYR A 13 -2.697 4.076 -0.165 1.00 0.00 N ATOM 202 CA TYR A 13 -3.516 3.557 0.943 1.00 0.00 C ATOM 203 C TYR A 13 -4.796 2.897 0.407 1.00 0.00 C ATOM 204 O TYR A 13 -5.108 1.749 0.733 1.00 0.00 O ATOM 205 CB TYR A 13 -3.877 4.734 1.881 1.00 0.00 C ATOM 206 CG TYR A 13 -4.718 4.280 3.067 1.00 0.00 C ATOM 207 CD1 TYR A 13 -6.104 4.117 2.922 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.116 4.034 4.309 1.00 0.00 C ATOM 209 CE1 TYR A 13 -6.882 3.709 4.011 1.00 0.00 C ATOM 210 CE2 TYR A 13 -4.897 3.628 5.398 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.279 3.465 5.248 1.00 0.00 C ATOM 212 OH TYR A 13 -7.046 3.065 6.323 1.00 0.00 O ATOM 0 H TYR A 13 -2.486 5.072 -0.097 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.952 2.802 1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.962 5.203 2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.422 5.492 1.319 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.572 4.307 1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.049 4.158 4.426 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.948 3.583 3.896 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.432 3.440 6.355 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.471 2.938 7.106 1.00 0.00 H new ATOM 222 N TRP A 14 -5.525 3.644 -0.411 1.00 0.00 N ATOM 223 CA TRP A 14 -6.772 3.155 -0.988 1.00 0.00 C ATOM 224 C TRP A 14 -6.543 1.935 -1.885 1.00 0.00 C ATOM 225 O TRP A 14 -7.288 0.955 -1.806 1.00 0.00 O ATOM 226 CB TRP A 14 -7.411 4.279 -1.803 1.00 0.00 C ATOM 227 CG TRP A 14 -8.796 3.886 -2.226 1.00 0.00 C ATOM 228 CD1 TRP A 14 -9.884 3.884 -1.419 1.00 0.00 C ATOM 229 CD2 TRP A 14 -9.260 3.446 -3.538 1.00 0.00 C ATOM 230 NE1 TRP A 14 -10.982 3.469 -2.150 1.00 0.00 N ATOM 231 CE2 TRP A 14 -10.650 3.188 -3.460 1.00 0.00 C ATOM 232 CE3 TRP A 14 -8.618 3.248 -4.773 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -11.376 2.748 -4.567 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -9.346 2.805 -5.891 1.00 0.00 C ATOM 235 CH2 TRP A 14 -10.722 2.557 -5.788 1.00 0.00 C ATOM 0 H TRP A 14 -5.275 4.592 -0.691 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.431 2.847 -0.176 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.449 5.193 -1.210 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -6.802 4.494 -2.681 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -9.892 4.161 -0.375 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.923 3.381 -1.767 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -7.559 3.437 -4.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -12.435 2.556 -4.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -8.842 2.655 -6.835 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -11.276 2.219 -6.651 1.00 0.00 H new ATOM 246 N GLU A 15 -5.526 2.015 -2.755 1.00 0.00 N ATOM 247 CA GLU A 15 -5.225 0.925 -3.693 1.00 0.00 C ATOM 248 C GLU A 15 -4.874 -0.375 -2.966 1.00 0.00 C ATOM 249 O GLU A 15 -5.324 -1.450 -3.368 1.00 0.00 O ATOM 250 CB GLU A 15 -4.062 1.333 -4.608 1.00 0.00 C ATOM 251 CG GLU A 15 -4.513 2.456 -5.554 1.00 0.00 C ATOM 252 CD GLU A 15 -3.355 2.878 -6.462 1.00 0.00 C ATOM 253 OE1 GLU A 15 -2.490 3.597 -5.989 1.00 0.00 O ATOM 254 OE2 GLU A 15 -3.349 2.474 -7.614 1.00 0.00 O ATOM 0 H GLU A 15 -4.902 2.818 -2.828 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.121 0.744 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.216 1.668 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.723 0.473 -5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.354 2.116 -6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.861 3.311 -4.975 1.00 0.00 H new ATOM 261 N ILE A 16 -4.076 -0.274 -1.902 1.00 0.00 N ATOM 262 CA ILE A 16 -3.684 -1.459 -1.133 1.00 0.00 C ATOM 263 C ILE A 16 -4.916 -2.126 -0.514 1.00 0.00 C ATOM 264 O ILE A 16 -5.145 -3.325 -0.704 1.00 0.00 O ATOM 265 CB ILE A 16 -2.679 -1.058 -0.034 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.361 -0.601 -0.686 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.398 -2.251 0.899 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.513 0.165 0.337 1.00 0.00 C ATOM 0 H ILE A 16 -3.691 0.605 -1.555 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.209 -2.175 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.106 -0.244 0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.809 -1.465 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.571 0.034 -1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.687 -1.951 1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.328 -2.572 1.369 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.980 -3.075 0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.418 0.486 -0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.064 1.039 0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.290 -0.484 1.184 1.00 0.00 H new ATOM 280 N ALA A 17 -5.699 -1.336 0.226 1.00 0.00 N ATOM 281 CA ALA A 17 -6.904 -1.843 0.888 1.00 0.00 C ATOM 282 C ALA A 17 -7.893 -2.436 -0.121 1.00 0.00 C ATOM 283 O ALA A 17 -8.642 -3.357 0.212 1.00 0.00 O ATOM 284 CB ALA A 17 -7.578 -0.710 1.671 1.00 0.00 C ATOM 0 H ALA A 17 -5.520 -0.344 0.382 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.605 -2.638 1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.474 -1.090 2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.888 -0.326 2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.852 0.092 0.986 1.00 0.00 H new ATOM 290 N LEU A 18 -7.894 -1.896 -1.345 1.00 0.00 N ATOM 291 CA LEU A 18 -8.799 -2.372 -2.395 1.00 0.00 C ATOM 292 C LEU A 18 -8.554 -3.853 -2.709 1.00 0.00 C ATOM 293 O LEU A 18 -9.502 -4.596 -2.977 1.00 0.00 O ATOM 294 CB LEU A 18 -8.612 -1.529 -3.670 1.00 0.00 C ATOM 295 CG LEU A 18 -9.670 -1.903 -4.729 1.00 0.00 C ATOM 296 CD1 LEU A 18 -11.060 -1.426 -4.280 1.00 0.00 C ATOM 297 CD2 LEU A 18 -9.310 -1.236 -6.066 1.00 0.00 C ATOM 0 H LEU A 18 -7.281 -1.133 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.822 -2.266 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.692 -0.469 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.613 -1.689 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.687 -2.986 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.799 -1.695 -5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.319 -1.900 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.050 -0.344 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.056 -1.499 -6.816 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.289 -0.154 -5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.329 -1.582 -6.393 1.00 0.00 H new ATOM 309 N LEU A 19 -7.285 -4.279 -2.679 1.00 0.00 N ATOM 310 CA LEU A 19 -6.950 -5.677 -2.972 1.00 0.00 C ATOM 311 C LEU A 19 -7.562 -6.599 -1.897 1.00 0.00 C ATOM 312 O LEU A 19 -7.284 -6.435 -0.705 1.00 0.00 O ATOM 313 CB LEU A 19 -5.419 -5.836 -3.034 1.00 0.00 C ATOM 314 CG LEU A 19 -4.878 -5.611 -4.473 1.00 0.00 C ATOM 315 CD1 LEU A 19 -5.649 -4.503 -5.215 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.394 -5.214 -4.405 1.00 0.00 C ATOM 0 H LEU A 19 -6.485 -3.686 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.366 -5.961 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.951 -5.125 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.142 -6.833 -2.692 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.008 -6.544 -5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.236 -4.381 -6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.701 -4.778 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.556 -3.565 -4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.013 -5.056 -5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.289 -4.294 -3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.826 -6.010 -3.923 1.00 0.00 H new ATOM 328 N PRO A 20 -8.417 -7.536 -2.295 1.00 0.00 N ATOM 329 CA PRO A 20 -9.125 -8.476 -1.358 1.00 0.00 C ATOM 330 C PRO A 20 -8.385 -9.781 -1.016 1.00 0.00 C ATOM 331 O PRO A 20 -8.721 -10.426 -0.018 1.00 0.00 O ATOM 332 CB PRO A 20 -10.389 -8.798 -2.150 1.00 0.00 C ATOM 333 CG PRO A 20 -9.918 -8.865 -3.566 1.00 0.00 C ATOM 334 CD PRO A 20 -8.819 -7.810 -3.696 1.00 0.00 C ATOM 0 HA PRO A 20 -9.256 -8.014 -0.380 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.831 -9.742 -1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.150 -8.029 -2.018 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.536 -9.858 -3.803 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.735 -8.664 -4.259 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.980 -8.178 -4.287 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.186 -6.910 -4.189 1.00 0.00 H new ATOM 342 N ASN A 21 -7.434 -10.203 -1.860 1.00 0.00 N ATOM 343 CA ASN A 21 -6.731 -11.475 -1.639 1.00 0.00 C ATOM 344 C ASN A 21 -5.472 -11.331 -0.785 1.00 0.00 C ATOM 345 O ASN A 21 -4.802 -12.330 -0.505 1.00 0.00 O ATOM 346 CB ASN A 21 -6.389 -12.110 -2.996 1.00 0.00 C ATOM 347 CG ASN A 21 -5.496 -11.190 -3.825 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.159 -10.079 -3.406 1.00 0.00 O ATOM 349 ND2 ASN A 21 -5.100 -11.584 -4.997 1.00 0.00 N ATOM 0 H ASN A 21 -7.136 -9.691 -2.691 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.404 -12.122 -1.077 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.886 -13.064 -2.838 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.307 -12.321 -3.544 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.513 -10.976 -5.568 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.376 -12.501 -5.347 1.00 0.00 H new ATOM 356 N LEU A 22 -5.155 -10.107 -0.349 1.00 0.00 N ATOM 357 CA LEU A 22 -3.973 -9.906 0.494 1.00 0.00 C ATOM 358 C LEU A 22 -4.253 -10.402 1.901 1.00 0.00 C ATOM 359 O LEU A 22 -5.330 -10.153 2.452 1.00 0.00 O ATOM 360 CB LEU A 22 -3.571 -8.427 0.599 1.00 0.00 C ATOM 361 CG LEU A 22 -3.282 -7.819 -0.775 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.332 -6.290 -0.665 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.882 -8.235 -1.242 1.00 0.00 C ATOM 0 H LEU A 22 -5.685 -9.261 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.161 -10.462 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.370 -7.866 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.688 -8.334 1.231 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.025 -8.172 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.127 -5.848 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.322 -5.982 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.583 -5.952 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.681 -7.800 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.140 -7.880 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.829 -9.322 -1.310 1.00 0.00 H new ATOM 375 N ASN A 23 -3.267 -11.079 2.489 1.00 0.00 N ATOM 376 CA ASN A 23 -3.401 -11.580 3.867 1.00 0.00 C ATOM 377 C ASN A 23 -3.614 -10.402 4.832 1.00 0.00 C ATOM 378 O ASN A 23 -3.087 -9.307 4.604 1.00 0.00 O ATOM 379 CB ASN A 23 -2.153 -12.363 4.285 1.00 0.00 C ATOM 380 CG ASN A 23 -2.385 -13.020 5.644 1.00 0.00 C ATOM 381 OD1 ASN A 23 -2.137 -12.404 6.682 1.00 0.00 O ATOM 382 ND2 ASN A 23 -2.845 -14.238 5.702 1.00 0.00 N ATOM 0 H ASN A 23 -2.375 -11.294 2.044 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.262 -12.248 3.907 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.922 -13.123 3.538 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.293 -11.695 4.336 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.000 -14.682 6.607 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.050 -14.747 4.842 1.00 0.00 H new ATOM 389 N ASN A 24 -4.408 -10.627 5.889 1.00 0.00 N ATOM 390 CA ASN A 24 -4.720 -9.576 6.875 1.00 0.00 C ATOM 391 C ASN A 24 -3.463 -8.884 7.416 1.00 0.00 C ATOM 392 O ASN A 24 -3.438 -7.657 7.559 1.00 0.00 O ATOM 393 CB ASN A 24 -5.511 -10.184 8.043 1.00 0.00 C ATOM 394 CG ASN A 24 -6.974 -10.372 7.647 1.00 0.00 C ATOM 395 OD1 ASN A 24 -7.713 -9.393 7.532 1.00 0.00 O ATOM 396 ND2 ASN A 24 -7.437 -11.571 7.427 1.00 0.00 N ATOM 0 H ASN A 24 -4.847 -11.527 6.085 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.315 -8.819 6.363 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.077 -11.143 8.326 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.443 -9.534 8.915 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.413 -11.700 7.159 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.823 -12.380 7.523 1.00 0.00 H new ATOM 403 N GLN A 25 -2.429 -9.672 7.709 1.00 0.00 N ATOM 404 CA GLN A 25 -1.175 -9.122 8.227 1.00 0.00 C ATOM 405 C GLN A 25 -0.455 -8.290 7.165 1.00 0.00 C ATOM 406 O GLN A 25 0.159 -7.268 7.483 1.00 0.00 O ATOM 407 CB GLN A 25 -0.256 -10.258 8.694 1.00 0.00 C ATOM 408 CG GLN A 25 -0.869 -10.945 9.924 1.00 0.00 C ATOM 409 CD GLN A 25 -0.005 -12.127 10.378 1.00 0.00 C ATOM 410 OE1 GLN A 25 0.703 -12.738 9.576 1.00 0.00 O ATOM 411 NE2 GLN A 25 -0.025 -12.489 11.631 1.00 0.00 N ATOM 0 H GLN A 25 -2.433 -10.686 7.598 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.417 -8.474 9.069 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.119 -10.982 7.891 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.730 -9.864 8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.964 -10.226 10.737 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.874 -11.294 9.687 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.610 -11.986 12.298 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.544 -13.275 11.944 1.00 0.00 H new ATOM 420 N GLN A 26 -0.513 -8.750 5.913 1.00 0.00 N ATOM 421 CA GLN A 26 0.164 -8.063 4.811 1.00 0.00 C ATOM 422 C GLN A 26 -0.452 -6.696 4.504 1.00 0.00 C ATOM 423 O GLN A 26 0.264 -5.693 4.479 1.00 0.00 O ATOM 424 CB GLN A 26 0.132 -8.941 3.552 1.00 0.00 C ATOM 425 CG GLN A 26 0.995 -10.195 3.772 1.00 0.00 C ATOM 426 CD GLN A 26 0.933 -11.108 2.548 1.00 0.00 C ATOM 427 OE1 GLN A 26 -0.227 -11.483 2.081 1.00 0.00 O flip ATOM 428 NE2 GLN A 26 1.968 -11.486 1.999 1.00 0.00 N flip ATOM 0 H GLN A 26 -1.019 -9.592 5.638 1.00 0.00 H new ATOM 0 HA GLN A 26 1.194 -7.891 5.123 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.894 -9.229 3.324 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.503 -8.378 2.695 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.028 -9.904 3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.646 -10.734 4.653 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.875 -11.193 2.363 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.919 -12.092 1.180 1.00 0.00 H new ATOM 437 N LYS A 27 -1.775 -6.642 4.263 1.00 0.00 N ATOM 438 CA LYS A 27 -2.431 -5.359 3.937 1.00 0.00 C ATOM 439 C LYS A 27 -2.190 -4.306 5.027 1.00 0.00 C ATOM 440 O LYS A 27 -1.782 -3.184 4.727 1.00 0.00 O ATOM 441 CB LYS A 27 -3.942 -5.550 3.683 1.00 0.00 C ATOM 442 CG LYS A 27 -4.649 -6.160 4.907 1.00 0.00 C ATOM 443 CD LYS A 27 -6.159 -6.294 4.630 1.00 0.00 C ATOM 444 CE LYS A 27 -6.416 -7.229 3.437 1.00 0.00 C ATOM 445 NZ LYS A 27 -6.711 -6.416 2.219 1.00 0.00 N ATOM 0 H LYS A 27 -2.399 -7.449 4.286 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.978 -4.992 3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.395 -4.589 3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.087 -6.197 2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.224 -7.138 5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.486 -5.531 5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.663 -6.681 5.516 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.584 -5.311 4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.545 -7.861 3.263 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.253 -7.892 3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.408 -6.938 1.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.733 -6.230 2.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.197 -5.513 2.271 1.00 0.00 H new ATOM 459 N ARG A 28 -2.409 -4.689 6.281 1.00 0.00 N ATOM 460 CA ARG A 28 -2.185 -3.786 7.410 1.00 0.00 C ATOM 461 C ARG A 28 -0.706 -3.395 7.508 1.00 0.00 C ATOM 462 O ARG A 28 -0.382 -2.280 7.926 1.00 0.00 O ATOM 463 CB ARG A 28 -2.634 -4.460 8.717 1.00 0.00 C ATOM 464 CG ARG A 28 -4.163 -4.623 8.723 1.00 0.00 C ATOM 465 CD ARG A 28 -4.610 -5.294 10.030 1.00 0.00 C ATOM 466 NE ARG A 28 -6.070 -5.439 10.060 1.00 0.00 N ATOM 467 CZ ARG A 28 -6.716 -6.341 9.314 1.00 0.00 C ATOM 468 NH1 ARG A 28 -6.066 -7.130 8.503 1.00 0.00 N ATOM 469 NH2 ARG A 28 -8.012 -6.432 9.393 1.00 0.00 N ATOM 0 H ARG A 28 -2.741 -5.617 6.543 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.772 -2.882 7.249 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.155 -5.434 8.817 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.320 -3.861 9.572 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.642 -3.649 8.621 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.477 -5.224 7.869 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.139 -6.273 10.123 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.280 -4.700 10.882 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.612 -4.829 10.672 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.051 -7.064 8.432 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.573 -7.813 7.940 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.529 -5.817 10.021 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.511 -7.118 8.826 1.00 0.00 H new ATOM 483 N ALA A 29 0.184 -4.328 7.137 1.00 0.00 N ATOM 484 CA ALA A 29 1.626 -4.077 7.206 1.00 0.00 C ATOM 485 C ALA A 29 2.056 -2.978 6.225 1.00 0.00 C ATOM 486 O ALA A 29 2.667 -1.991 6.642 1.00 0.00 O ATOM 487 CB ALA A 29 2.403 -5.371 6.924 1.00 0.00 C ATOM 0 H ALA A 29 -0.069 -5.253 6.790 1.00 0.00 H new ATOM 0 HA ALA A 29 1.855 -3.732 8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.473 -5.172 6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.136 -6.124 7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.152 -5.737 5.928 1.00 0.00 H new ATOM 493 N PHE A 30 1.743 -3.148 4.928 1.00 0.00 N ATOM 494 CA PHE A 30 2.121 -2.144 3.921 1.00 0.00 C ATOM 495 C PHE A 30 1.493 -0.783 4.235 1.00 0.00 C ATOM 496 O PHE A 30 2.157 0.255 4.119 1.00 0.00 O ATOM 497 CB PHE A 30 1.717 -2.613 2.515 1.00 0.00 C ATOM 498 CG PHE A 30 2.705 -3.663 2.044 1.00 0.00 C ATOM 499 CD1 PHE A 30 3.919 -3.271 1.463 1.00 0.00 C ATOM 500 CD2 PHE A 30 2.420 -5.023 2.204 1.00 0.00 C ATOM 501 CE1 PHE A 30 4.840 -4.236 1.042 1.00 0.00 C ATOM 502 CE2 PHE A 30 3.342 -5.986 1.787 1.00 0.00 C ATOM 503 CZ PHE A 30 4.552 -5.595 1.204 1.00 0.00 C ATOM 0 H PHE A 30 1.239 -3.955 4.559 1.00 0.00 H new ATOM 0 HA PHE A 30 3.204 -2.029 3.951 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.708 -3.025 2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.706 -1.769 1.825 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.144 -2.222 1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.486 -5.329 2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.773 -3.932 0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.120 -7.035 1.915 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.262 -6.341 0.880 1.00 0.00 H new ATOM 513 N ILE A 31 0.220 -0.791 4.662 1.00 0.00 N ATOM 514 CA ILE A 31 -0.493 0.449 5.024 1.00 0.00 C ATOM 515 C ILE A 31 0.277 1.203 6.126 1.00 0.00 C ATOM 516 O ILE A 31 0.436 2.425 6.059 1.00 0.00 O ATOM 517 CB ILE A 31 -1.924 0.102 5.498 1.00 0.00 C ATOM 518 CG1 ILE A 31 -2.747 -0.469 4.310 1.00 0.00 C ATOM 519 CG2 ILE A 31 -2.618 1.341 6.096 1.00 0.00 C ATOM 520 CD1 ILE A 31 -3.335 0.647 3.428 1.00 0.00 C ATOM 0 H ILE A 31 -0.337 -1.639 4.766 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.558 1.097 4.150 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.861 -0.655 6.280 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.110 -1.113 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.555 -1.091 4.694 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.623 1.073 6.422 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.044 1.703 6.949 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.679 2.124 5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.902 0.203 2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.994 1.276 4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.526 1.254 3.021 1.00 0.00 H new ATOM 532 N ARG A 32 0.775 0.449 7.110 1.00 0.00 N ATOM 533 CA ARG A 32 1.561 1.023 8.205 1.00 0.00 C ATOM 534 C ARG A 32 2.952 1.435 7.700 1.00 0.00 C ATOM 535 O ARG A 32 3.522 2.437 8.153 1.00 0.00 O ATOM 536 CB ARG A 32 1.696 -0.003 9.342 1.00 0.00 C ATOM 537 CG ARG A 32 2.366 0.646 10.565 1.00 0.00 C ATOM 538 CD ARG A 32 2.511 -0.391 11.686 1.00 0.00 C ATOM 539 NE ARG A 32 3.039 0.243 12.897 1.00 0.00 N ATOM 540 CZ ARG A 32 3.238 -0.443 14.027 1.00 0.00 C ATOM 541 NH1 ARG A 32 2.966 -1.719 14.091 1.00 0.00 N ATOM 542 NH2 ARG A 32 3.708 0.168 15.077 1.00 0.00 N ATOM 0 H ARG A 32 0.647 -0.561 7.170 1.00 0.00 H new ATOM 0 HA ARG A 32 1.049 1.909 8.582 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.712 -0.384 9.616 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.286 -0.855 9.005 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.345 1.038 10.290 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.771 1.490 10.912 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.543 -0.846 11.897 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.177 -1.192 11.366 1.00 0.00 H new ATOM 0 HE ARG A 32 3.262 1.238 12.877 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.597 -2.204 13.273 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.122 -2.231 14.959 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.922 1.164 15.034 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.862 -0.350 15.942 1.00 0.00 H new ATOM 556 N SER A 33 3.493 0.637 6.766 1.00 0.00 N ATOM 557 CA SER A 33 4.822 0.897 6.202 1.00 0.00 C ATOM 558 C SER A 33 4.900 2.285 5.569 1.00 0.00 C ATOM 559 O SER A 33 5.958 2.914 5.610 1.00 0.00 O ATOM 560 CB SER A 33 5.190 -0.164 5.160 1.00 0.00 C ATOM 561 OG SER A 33 5.189 -1.447 5.773 1.00 0.00 O ATOM 0 H SER A 33 3.031 -0.190 6.388 1.00 0.00 H new ATOM 0 HA SER A 33 5.535 0.852 7.025 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.478 -0.142 4.335 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.172 0.049 4.739 1.00 0.00 H new ATOM 0 HG SER A 33 4.266 -1.725 5.949 1.00 0.00 H new ATOM 567 N LEU A 34 3.786 2.757 4.983 1.00 0.00 N ATOM 568 CA LEU A 34 3.763 4.088 4.350 1.00 0.00 C ATOM 569 C LEU A 34 4.288 5.150 5.322 1.00 0.00 C ATOM 570 O LEU A 34 5.212 5.899 4.994 1.00 0.00 O ATOM 571 CB LEU A 34 2.326 4.465 3.926 1.00 0.00 C ATOM 572 CG LEU A 34 2.092 4.208 2.425 1.00 0.00 C ATOM 573 CD1 LEU A 34 3.063 5.054 1.576 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.275 2.714 2.112 1.00 0.00 C ATOM 0 H LEU A 34 2.904 2.247 4.934 1.00 0.00 H new ATOM 0 HA LEU A 34 4.402 4.050 3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.610 3.887 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.144 5.516 4.148 1.00 0.00 H new ATOM 0 HG LEU A 34 1.072 4.499 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.885 4.861 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.901 6.112 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.090 4.788 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.108 2.542 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.288 2.409 2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.559 2.131 2.691 1.00 0.00 H new ATOM 586 N TYR A 35 3.695 5.194 6.515 1.00 0.00 N ATOM 587 CA TYR A 35 4.104 6.150 7.543 1.00 0.00 C ATOM 588 C TYR A 35 5.551 5.881 7.964 1.00 0.00 C ATOM 589 O TYR A 35 6.325 6.812 8.199 1.00 0.00 O ATOM 590 CB TYR A 35 3.172 6.035 8.760 1.00 0.00 C ATOM 591 CG TYR A 35 3.501 7.117 9.774 1.00 0.00 C ATOM 592 CD1 TYR A 35 2.950 8.399 9.635 1.00 0.00 C ATOM 593 CD2 TYR A 35 4.359 6.837 10.848 1.00 0.00 C ATOM 594 CE1 TYR A 35 3.255 9.397 10.568 1.00 0.00 C ATOM 595 CE2 TYR A 35 4.663 7.838 11.780 1.00 0.00 C ATOM 596 CZ TYR A 35 4.111 9.117 11.640 1.00 0.00 C ATOM 597 OH TYR A 35 4.411 10.101 12.559 1.00 0.00 O ATOM 0 H TYR A 35 2.930 4.579 6.793 1.00 0.00 H new ATOM 0 HA TYR A 35 4.038 7.159 7.137 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.133 6.127 8.442 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.279 5.052 9.218 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.290 8.616 8.808 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.785 5.850 10.956 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.830 10.384 10.461 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.324 7.623 12.607 1.00 0.00 H new ATOM 0 HH TYR A 35 5.017 9.740 13.239 1.00 0.00 H new ATOM 607 N ASP A 36 5.894 4.595 8.069 1.00 0.00 N ATOM 608 CA ASP A 36 7.241 4.186 8.478 1.00 0.00 C ATOM 609 C ASP A 36 8.306 4.688 7.491 1.00 0.00 C ATOM 610 O ASP A 36 9.381 5.127 7.909 1.00 0.00 O ATOM 611 CB ASP A 36 7.301 2.654 8.583 1.00 0.00 C ATOM 612 CG ASP A 36 8.482 2.228 9.459 1.00 0.00 C ATOM 613 OD1 ASP A 36 8.356 2.310 10.671 1.00 0.00 O ATOM 614 OD2 ASP A 36 9.494 1.825 8.908 1.00 0.00 O ATOM 0 H ASP A 36 5.259 3.820 7.877 1.00 0.00 H new ATOM 0 HA ASP A 36 7.454 4.632 9.450 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.371 2.275 9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.401 2.218 7.589 1.00 0.00 H new ATOM 619 N ASP A 37 8.000 4.612 6.188 1.00 0.00 N ATOM 620 CA ASP A 37 8.933 5.052 5.139 1.00 0.00 C ATOM 621 C ASP A 37 8.155 5.528 3.895 1.00 0.00 C ATOM 622 O ASP A 37 7.966 4.759 2.942 1.00 0.00 O ATOM 623 CB ASP A 37 9.877 3.896 4.754 1.00 0.00 C ATOM 624 CG ASP A 37 10.983 3.737 5.801 1.00 0.00 C ATOM 625 OD1 ASP A 37 11.870 4.575 5.828 1.00 0.00 O ATOM 626 OD2 ASP A 37 10.930 2.779 6.554 1.00 0.00 O ATOM 0 H ASP A 37 7.114 4.250 5.835 1.00 0.00 H new ATOM 0 HA ASP A 37 9.524 5.883 5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.311 2.968 4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.318 4.089 3.776 1.00 0.00 H new ATOM 631 N PRO A 38 7.690 6.769 3.888 1.00 0.00 N ATOM 632 CA PRO A 38 6.909 7.329 2.735 1.00 0.00 C ATOM 633 C PRO A 38 7.719 7.331 1.437 1.00 0.00 C ATOM 634 O PRO A 38 7.150 7.306 0.342 1.00 0.00 O ATOM 635 CB PRO A 38 6.550 8.757 3.177 1.00 0.00 C ATOM 636 CG PRO A 38 7.495 9.091 4.283 1.00 0.00 C ATOM 637 CD PRO A 38 7.856 7.771 4.961 1.00 0.00 C ATOM 0 HA PRO A 38 6.028 6.728 2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.652 9.460 2.350 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.516 8.813 3.516 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.386 9.584 3.895 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.034 9.778 4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.877 7.783 5.343 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.201 7.563 5.807 1.00 0.00 H new ATOM 645 N SER A 39 9.046 7.358 1.576 1.00 0.00 N ATOM 646 CA SER A 39 9.946 7.361 0.422 1.00 0.00 C ATOM 647 C SER A 39 9.740 6.115 -0.443 1.00 0.00 C ATOM 648 O SER A 39 9.900 6.173 -1.666 1.00 0.00 O ATOM 649 CB SER A 39 11.402 7.418 0.899 1.00 0.00 C ATOM 650 OG SER A 39 11.577 8.548 1.746 1.00 0.00 O ATOM 0 H SER A 39 9.521 7.378 2.478 1.00 0.00 H new ATOM 0 HA SER A 39 9.720 8.240 -0.181 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.657 6.504 1.436 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.074 7.483 0.044 1.00 0.00 H new ATOM 0 HG SER A 39 12.507 8.585 2.054 1.00 0.00 H new ATOM 656 N GLN A 40 9.397 4.989 0.199 1.00 0.00 N ATOM 657 CA GLN A 40 9.183 3.724 -0.518 1.00 0.00 C ATOM 658 C GLN A 40 7.727 3.582 -0.983 1.00 0.00 C ATOM 659 O GLN A 40 7.332 2.514 -1.444 1.00 0.00 O ATOM 660 CB GLN A 40 9.537 2.534 0.396 1.00 0.00 C ATOM 661 CG GLN A 40 10.947 2.698 0.982 1.00 0.00 C ATOM 662 CD GLN A 40 11.993 2.746 -0.132 1.00 0.00 C ATOM 663 OE1 GLN A 40 12.129 1.793 -0.899 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.745 3.804 -0.266 1.00 0.00 N ATOM 0 H GLN A 40 9.262 4.928 1.208 1.00 0.00 H new ATOM 0 HA GLN A 40 9.830 3.728 -1.395 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.809 2.461 1.204 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.479 1.605 -0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.996 3.612 1.574 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.165 1.870 1.656 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.632 4.594 0.370 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.446 3.841 -1.006 1.00 0.00 H new ATOM 673 N SER A 41 6.936 4.652 -0.846 1.00 0.00 N ATOM 674 CA SER A 41 5.513 4.634 -1.231 1.00 0.00 C ATOM 675 C SER A 41 5.272 3.937 -2.574 1.00 0.00 C ATOM 676 O SER A 41 4.390 3.079 -2.684 1.00 0.00 O ATOM 677 CB SER A 41 4.991 6.067 -1.316 1.00 0.00 C ATOM 678 OG SER A 41 5.843 6.831 -2.163 1.00 0.00 O ATOM 0 H SER A 41 7.255 5.545 -0.471 1.00 0.00 H new ATOM 0 HA SER A 41 4.981 4.069 -0.466 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.973 6.072 -1.705 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.954 6.512 -0.322 1.00 0.00 H new ATOM 0 HG SER A 41 6.563 7.229 -1.630 1.00 0.00 H new ATOM 684 N ALA A 42 6.055 4.312 -3.580 1.00 0.00 N ATOM 685 CA ALA A 42 5.919 3.719 -4.910 1.00 0.00 C ATOM 686 C ALA A 42 6.241 2.226 -4.871 1.00 0.00 C ATOM 687 O ALA A 42 5.576 1.418 -5.529 1.00 0.00 O ATOM 688 CB ALA A 42 6.858 4.425 -5.894 1.00 0.00 C ATOM 0 H ALA A 42 6.786 5.019 -3.503 1.00 0.00 H new ATOM 0 HA ALA A 42 4.888 3.844 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.752 3.978 -6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.603 5.484 -5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.888 4.316 -5.556 1.00 0.00 H new ATOM 694 N ASN A 43 7.270 1.873 -4.097 1.00 0.00 N ATOM 695 CA ASN A 43 7.695 0.474 -3.973 1.00 0.00 C ATOM 696 C ASN A 43 6.673 -0.349 -3.191 1.00 0.00 C ATOM 697 O ASN A 43 6.311 -1.443 -3.611 1.00 0.00 O ATOM 698 CB ASN A 43 9.055 0.387 -3.263 1.00 0.00 C ATOM 699 CG ASN A 43 10.154 1.080 -4.073 1.00 0.00 C ATOM 700 OD1 ASN A 43 9.968 1.417 -5.244 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.304 1.302 -3.506 1.00 0.00 N ATOM 0 H ASN A 43 7.823 2.532 -3.549 1.00 0.00 H new ATOM 0 HA ASN A 43 7.778 0.068 -4.981 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.983 0.847 -2.277 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.320 -0.659 -3.108 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.052 1.755 -4.031 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.457 1.023 -2.537 1.00 0.00 H new ATOM 708 N LEU A 44 6.228 0.182 -2.051 1.00 0.00 N ATOM 709 CA LEU A 44 5.258 -0.516 -1.199 1.00 0.00 C ATOM 710 C LEU A 44 3.973 -0.821 -1.973 1.00 0.00 C ATOM 711 O LEU A 44 3.439 -1.928 -1.883 1.00 0.00 O ATOM 712 CB LEU A 44 4.915 0.347 0.015 1.00 0.00 C ATOM 713 CG LEU A 44 6.169 0.645 0.874 1.00 0.00 C ATOM 714 CD1 LEU A 44 5.824 1.687 1.948 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.664 -0.635 1.563 1.00 0.00 C ATOM 0 H LEU A 44 6.522 1.092 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 44 5.707 -1.454 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.470 1.285 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.168 -0.161 0.624 1.00 0.00 H new ATOM 0 HG LEU A 44 6.953 1.028 0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.708 1.895 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.488 2.606 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.031 1.301 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.546 -0.408 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.878 -1.028 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.920 -1.379 0.808 1.00 0.00 H new ATOM 727 N LEU A 45 3.488 0.167 -2.740 1.00 0.00 N ATOM 728 CA LEU A 45 2.270 -0.009 -3.545 1.00 0.00 C ATOM 729 C LEU A 45 2.479 -1.136 -4.555 1.00 0.00 C ATOM 730 O LEU A 45 1.654 -2.047 -4.669 1.00 0.00 O ATOM 731 CB LEU A 45 1.940 1.308 -4.272 1.00 0.00 C ATOM 732 CG LEU A 45 0.833 1.102 -5.333 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.456 0.590 -4.674 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.548 2.436 -6.040 1.00 0.00 C ATOM 0 H LEU A 45 3.917 1.089 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 45 1.436 -0.272 -2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.617 2.055 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.839 1.696 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 45 1.175 0.363 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.223 0.451 -5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.259 -0.361 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.802 1.316 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.232 2.292 -6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.217 3.172 -5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.456 2.791 -6.527 1.00 0.00 H new ATOM 746 N ALA A 46 3.603 -1.063 -5.266 1.00 0.00 N ATOM 747 CA ALA A 46 3.954 -2.084 -6.260 1.00 0.00 C ATOM 748 C ALA A 46 4.097 -3.445 -5.579 1.00 0.00 C ATOM 749 O ALA A 46 3.631 -4.468 -6.088 1.00 0.00 O ATOM 750 CB ALA A 46 5.276 -1.713 -6.938 1.00 0.00 C ATOM 0 H ALA A 46 4.286 -0.311 -5.175 1.00 0.00 H new ATOM 0 HA ALA A 46 3.164 -2.136 -7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.533 -2.474 -7.675 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.172 -0.748 -7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.065 -1.653 -6.188 1.00 0.00 H new ATOM 756 N GLU A 47 4.734 -3.421 -4.412 1.00 0.00 N ATOM 757 CA GLU A 47 4.948 -4.622 -3.611 1.00 0.00 C ATOM 758 C GLU A 47 3.617 -5.221 -3.165 1.00 0.00 C ATOM 759 O GLU A 47 3.463 -6.444 -3.126 1.00 0.00 O ATOM 760 CB GLU A 47 5.792 -4.279 -2.379 1.00 0.00 C ATOM 761 CG GLU A 47 7.279 -4.146 -2.772 1.00 0.00 C ATOM 762 CD GLU A 47 7.870 -5.515 -3.131 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.865 -6.391 -2.278 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.334 -5.669 -4.251 1.00 0.00 O ATOM 0 H GLU A 47 5.115 -2.571 -3.996 1.00 0.00 H new ATOM 0 HA GLU A 47 5.472 -5.355 -4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.441 -3.347 -1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.676 -5.055 -1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.377 -3.469 -3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.840 -3.707 -1.947 1.00 0.00 H new ATOM 771 N ALA A 48 2.658 -4.354 -2.836 1.00 0.00 N ATOM 772 CA ALA A 48 1.341 -4.815 -2.409 1.00 0.00 C ATOM 773 C ALA A 48 0.657 -5.513 -3.580 1.00 0.00 C ATOM 774 O ALA A 48 0.044 -6.573 -3.420 1.00 0.00 O ATOM 775 CB ALA A 48 0.492 -3.632 -1.934 1.00 0.00 C ATOM 0 H ALA A 48 2.768 -3.340 -2.857 1.00 0.00 H new ATOM 0 HA ALA A 48 1.452 -5.513 -1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.488 -3.991 -1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.987 -3.143 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.372 -2.919 -2.750 1.00 0.00 H new ATOM 781 N LYS A 49 0.792 -4.909 -4.765 1.00 0.00 N ATOM 782 CA LYS A 49 0.211 -5.469 -5.977 1.00 0.00 C ATOM 783 C LYS A 49 0.851 -6.825 -6.274 1.00 0.00 C ATOM 784 O LYS A 49 0.182 -7.746 -6.744 1.00 0.00 O ATOM 785 CB LYS A 49 0.442 -4.517 -7.156 1.00 0.00 C ATOM 786 CG LYS A 49 -0.672 -4.695 -8.199 1.00 0.00 C ATOM 787 CD LYS A 49 -0.198 -4.173 -9.565 1.00 0.00 C ATOM 788 CE LYS A 49 -1.345 -3.445 -10.276 1.00 0.00 C ATOM 789 NZ LYS A 49 -0.922 -3.082 -11.660 1.00 0.00 N ATOM 0 H LYS A 49 1.298 -4.035 -4.905 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.861 -5.600 -5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.460 -3.486 -6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.413 -4.716 -7.610 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.945 -5.748 -8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.566 -4.157 -7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.646 -3.496 -9.432 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.153 -5.003 -10.179 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.229 -4.082 -10.310 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.620 -2.548 -9.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.700 -2.588 -12.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.090 -2.459 -11.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.681 -3.946 -12.187 1.00 0.00 H new ATOM 803 N LYS A 50 2.158 -6.931 -5.986 1.00 0.00 N ATOM 804 CA LYS A 50 2.908 -8.169 -6.210 1.00 0.00 C ATOM 805 C LYS A 50 2.281 -9.321 -5.422 1.00 0.00 C ATOM 806 O LYS A 50 2.108 -10.423 -5.952 1.00 0.00 O ATOM 807 CB LYS A 50 4.362 -7.962 -5.770 1.00 0.00 C ATOM 808 CG LYS A 50 5.228 -9.151 -6.211 1.00 0.00 C ATOM 809 CD LYS A 50 6.709 -8.839 -5.937 1.00 0.00 C ATOM 810 CE LYS A 50 7.010 -8.960 -4.436 1.00 0.00 C ATOM 811 NZ LYS A 50 8.424 -8.558 -4.182 1.00 0.00 N ATOM 0 H LYS A 50 2.715 -6.170 -5.597 1.00 0.00 H new ATOM 0 HA LYS A 50 2.879 -8.421 -7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.752 -7.040 -6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.409 -7.852 -4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.930 -10.051 -5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.078 -9.350 -7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.342 -9.526 -6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.946 -7.833 -6.282 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.332 -8.326 -3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.846 -9.984 -4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.651 -8.703 -3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.060 -9.136 -4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.548 -7.554 -4.423 1.00 0.00 H new ATOM 825 N LEU A 51 1.922 -9.042 -4.164 1.00 0.00 N ATOM 826 CA LEU A 51 1.283 -10.049 -3.313 1.00 0.00 C ATOM 827 C LEU A 51 -0.064 -10.457 -3.908 1.00 0.00 C ATOM 828 O LEU A 51 -0.401 -11.642 -3.936 1.00 0.00 O ATOM 829 CB LEU A 51 1.090 -9.490 -1.894 1.00 0.00 C ATOM 830 CG LEU A 51 2.448 -9.403 -1.177 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.262 -8.713 0.176 1.00 0.00 C ATOM 832 CD2 LEU A 51 3.023 -10.814 -0.956 1.00 0.00 C ATOM 0 H LEU A 51 2.062 -8.136 -3.717 1.00 0.00 H new ATOM 0 HA LEU A 51 1.924 -10.929 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.630 -8.503 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.412 -10.131 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 51 3.141 -8.830 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.223 -8.650 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.866 -7.709 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.564 -9.288 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.984 -10.740 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.333 -11.396 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.159 -11.306 -1.919 1.00 0.00 H new ATOM 844 N ASN A 52 -0.816 -9.465 -4.397 1.00 0.00 N ATOM 845 CA ASN A 52 -2.119 -9.724 -5.014 1.00 0.00 C ATOM 846 C ASN A 52 -1.953 -10.594 -6.260 1.00 0.00 C ATOM 847 O ASN A 52 -2.672 -11.577 -6.440 1.00 0.00 O ATOM 848 CB ASN A 52 -2.789 -8.388 -5.384 1.00 0.00 C ATOM 849 CG ASN A 52 -3.955 -8.595 -6.357 1.00 0.00 C ATOM 850 OD1 ASN A 52 -5.129 -8.917 -5.897 1.00 0.00 O flip ATOM 851 ND2 ASN A 52 -3.787 -8.456 -7.568 1.00 0.00 N flip ATOM 0 H ASN A 52 -0.546 -8.482 -4.377 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.750 -10.257 -4.303 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.151 -7.898 -4.480 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.052 -7.722 -5.834 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.867 -8.204 -7.930 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.567 -8.593 -8.210 1.00 0.00 H new ATOM 858 N ASP A 53 -1.003 -10.210 -7.110 1.00 0.00 N ATOM 859 CA ASP A 53 -0.735 -10.940 -8.347 1.00 0.00 C ATOM 860 C ASP A 53 -0.290 -12.377 -8.061 1.00 0.00 C ATOM 861 O ASP A 53 -0.648 -13.300 -8.799 1.00 0.00 O ATOM 862 CB ASP A 53 0.351 -10.206 -9.153 1.00 0.00 C ATOM 863 CG ASP A 53 -0.133 -8.817 -9.610 1.00 0.00 C ATOM 864 OD1 ASP A 53 -1.287 -8.696 -9.998 1.00 0.00 O ATOM 865 OD2 ASP A 53 0.664 -7.890 -9.576 1.00 0.00 O ATOM 0 H ASP A 53 -0.405 -9.396 -6.964 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.658 -10.983 -8.925 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.248 -10.098 -8.544 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.626 -10.802 -10.023 1.00 0.00 H new ATOM 870 N ALA A 54 0.504 -12.553 -7.001 1.00 0.00 N ATOM 871 CA ALA A 54 1.016 -13.878 -6.633 1.00 0.00 C ATOM 872 C ALA A 54 -0.056 -14.751 -5.964 1.00 0.00 C ATOM 873 O ALA A 54 -0.250 -15.905 -6.351 1.00 0.00 O ATOM 874 CB ALA A 54 2.208 -13.719 -5.683 1.00 0.00 C ATOM 0 H ALA A 54 0.806 -11.799 -6.384 1.00 0.00 H new ATOM 0 HA ALA A 54 1.323 -14.378 -7.551 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.589 -14.703 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.995 -13.150 -6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.889 -13.190 -4.785 1.00 0.00 H new ATOM 880 N GLN A 55 -0.725 -14.199 -4.944 1.00 0.00 N ATOM 881 CA GLN A 55 -1.758 -14.942 -4.203 1.00 0.00 C ATOM 882 C GLN A 55 -2.998 -15.224 -5.058 1.00 0.00 C ATOM 883 O GLN A 55 -3.715 -16.197 -4.806 1.00 0.00 O ATOM 884 CB GLN A 55 -2.169 -14.170 -2.936 1.00 0.00 C ATOM 885 CG GLN A 55 -0.985 -14.080 -1.966 1.00 0.00 C ATOM 886 CD GLN A 55 -1.281 -13.022 -0.913 1.00 0.00 C ATOM 887 OE1 GLN A 55 -1.564 -11.811 -1.302 1.00 0.00 O flip ATOM 888 NE2 GLN A 55 -1.259 -13.303 0.285 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.573 -13.246 -4.613 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.321 -15.901 -3.925 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.506 -13.169 -3.204 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.008 -14.670 -2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.815 -15.046 -1.491 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.074 -13.826 -2.508 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.037 -14.253 0.582 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.463 -12.586 0.981 1.00 0.00 H new ATOM 897 N ALA A 56 -3.258 -14.362 -6.048 1.00 0.00 N ATOM 898 CA ALA A 56 -4.430 -14.517 -6.918 1.00 0.00 C ATOM 899 C ALA A 56 -4.463 -15.904 -7.587 1.00 0.00 C ATOM 900 O ALA A 56 -3.428 -16.570 -7.694 1.00 0.00 O ATOM 901 CB ALA A 56 -4.429 -13.424 -7.994 1.00 0.00 C ATOM 0 H ALA A 56 -2.676 -13.553 -6.266 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.320 -14.423 -6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.301 -13.545 -8.636 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.462 -12.444 -7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.523 -13.505 -8.594 1.00 0.00 H new ATOM 907 N PRO A 57 -5.636 -16.344 -8.030 1.00 0.00 N ATOM 908 CA PRO A 57 -5.814 -17.678 -8.699 1.00 0.00 C ATOM 909 C PRO A 57 -4.860 -17.888 -9.877 1.00 0.00 C ATOM 910 O PRO A 57 -4.379 -16.925 -10.481 1.00 0.00 O ATOM 911 CB PRO A 57 -7.270 -17.663 -9.180 1.00 0.00 C ATOM 912 CG PRO A 57 -7.962 -16.680 -8.301 1.00 0.00 C ATOM 913 CD PRO A 57 -6.925 -15.622 -7.937 1.00 0.00 C ATOM 0 HA PRO A 57 -5.591 -18.495 -8.013 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.336 -17.369 -10.228 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.722 -18.651 -9.098 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.812 -16.230 -8.815 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.351 -17.166 -7.406 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.960 -14.775 -8.623 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.091 -15.227 -6.935 1.00 0.00 H new ATOM 921 N LYS A 58 -4.601 -19.162 -10.185 1.00 0.00 N ATOM 922 CA LYS A 58 -3.706 -19.537 -11.284 1.00 0.00 C ATOM 923 C LYS A 58 -4.518 -19.983 -12.507 1.00 0.00 C ATOM 924 O LYS A 58 -4.355 -19.382 -13.559 1.00 0.00 O ATOM 925 CB LYS A 58 -2.771 -20.678 -10.836 1.00 0.00 C ATOM 926 CG LYS A 58 -1.590 -20.116 -10.023 1.00 0.00 C ATOM 927 CD LYS A 58 -2.029 -19.834 -8.575 1.00 0.00 C ATOM 928 CE LYS A 58 -0.871 -19.215 -7.783 1.00 0.00 C ATOM 929 NZ LYS A 58 -1.421 -18.338 -6.708 1.00 0.00 N ATOM 930 OXT LYS A 58 -5.293 -20.919 -12.374 1.00 0.00 O ATOM 0 H LYS A 58 -5.001 -19.956 -9.685 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.108 -18.668 -11.557 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.326 -21.397 -10.233 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.398 -21.215 -11.708 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.764 -20.827 -10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.224 -19.199 -10.485 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.884 -19.158 -8.571 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.352 -20.759 -8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.253 -20.000 -7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.229 -18.636 -8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.699 -17.647 -6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.259 -17.836 -7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.689 -18.920 -5.889 1.00 0.00 H new