USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=11 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= -1.72 F(o=-6.7!,f=-1.5) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= 0.217 F(o=-5.4!,f=-1.5) USER MOD Set 2.1: A 24 ASN : amide:sc= 0.057 X(o=-0.03,f=0.28) USER MOD Set 2.2: A 25 GLN : amide:sc= -0.0868 X(o=-0.03,f=0.28) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.561 K(o=-0.61,f=-8.2!) USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -0.0515 F(o=-2.1,f=-0.61) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -145:sc= 0 (180deg=-1.17) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.122 K(o=-0.12,f=-2.4) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 2.06 (180deg=0.995) USER MOD Single : A 33 SER OG : rot 70:sc= 1.3 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 98:sc= 0.511 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot -89:sc= 0.677 USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 0.655 (180deg=0.605) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 -1.128 13.605 -0.313 1.00 0.00 N ATOM 100 CA LYS A 7 -1.985 13.226 -1.450 1.00 0.00 C ATOM 101 C LYS A 7 -1.551 11.889 -2.065 1.00 0.00 C ATOM 102 O LYS A 7 -2.387 11.013 -2.323 1.00 0.00 O ATOM 103 CB LYS A 7 -1.926 14.330 -2.520 1.00 0.00 C ATOM 104 CG LYS A 7 -2.952 14.064 -3.638 1.00 0.00 C ATOM 105 CD LYS A 7 -4.366 14.433 -3.158 1.00 0.00 C ATOM 106 CE LYS A 7 -5.356 14.324 -4.325 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.724 14.678 -3.849 1.00 0.00 N ATOM 0 HA LYS A 7 -3.005 13.109 -1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.125 15.298 -2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.923 14.378 -2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.696 14.647 -4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.921 13.014 -3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.670 13.770 -2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.371 15.447 -2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.057 14.991 -5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.350 13.311 -4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.396 14.605 -4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.008 14.025 -3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.723 15.652 -3.484 1.00 0.00 H new ATOM 121 N GLU A 8 -0.245 11.739 -2.289 1.00 0.00 N ATOM 122 CA GLU A 8 0.293 10.506 -2.867 1.00 0.00 C ATOM 123 C GLU A 8 0.019 9.317 -1.942 1.00 0.00 C ATOM 124 O GLU A 8 -0.273 8.208 -2.407 1.00 0.00 O ATOM 125 CB GLU A 8 1.808 10.647 -3.094 1.00 0.00 C ATOM 126 CG GLU A 8 2.083 11.736 -4.152 1.00 0.00 C ATOM 127 CD GLU A 8 3.587 11.859 -4.469 1.00 0.00 C ATOM 128 OE1 GLU A 8 4.404 11.430 -3.662 1.00 0.00 O ATOM 129 OE2 GLU A 8 3.900 12.388 -5.524 1.00 0.00 O ATOM 0 H GLU A 8 0.456 12.450 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.199 10.329 -3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.302 10.905 -2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.225 9.695 -3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.537 11.501 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.707 12.694 -3.793 1.00 0.00 H new ATOM 136 N MET A 9 0.114 9.561 -0.632 1.00 0.00 N ATOM 137 CA MET A 9 -0.123 8.513 0.359 1.00 0.00 C ATOM 138 C MET A 9 -1.567 8.027 0.283 1.00 0.00 C ATOM 139 O MET A 9 -1.821 6.825 0.353 1.00 0.00 O ATOM 140 CB MET A 9 0.174 9.042 1.769 1.00 0.00 C ATOM 141 CG MET A 9 1.647 9.448 1.859 1.00 0.00 C ATOM 142 SD MET A 9 2.003 10.107 3.504 1.00 0.00 S ATOM 143 CE MET A 9 3.676 10.678 3.131 1.00 0.00 C ATOM 0 H MET A 9 0.352 10.471 -0.237 1.00 0.00 H new ATOM 0 HA MET A 9 0.542 7.677 0.144 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.465 9.897 1.991 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.050 8.276 2.512 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.284 8.587 1.657 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.874 10.197 1.100 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.309 10.548 4.009 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.082 10.098 2.302 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.648 11.732 2.856 1.00 0.00 H new ATOM 153 N ARG A 10 -2.504 8.971 0.124 1.00 0.00 N ATOM 154 CA ARG A 10 -3.923 8.626 0.025 1.00 0.00 C ATOM 155 C ARG A 10 -4.168 7.726 -1.186 1.00 0.00 C ATOM 156 O ARG A 10 -4.966 6.786 -1.120 1.00 0.00 O ATOM 157 CB ARG A 10 -4.778 9.898 -0.094 1.00 0.00 C ATOM 158 CG ARG A 10 -4.707 10.706 1.213 1.00 0.00 C ATOM 159 CD ARG A 10 -5.621 11.934 1.117 1.00 0.00 C ATOM 160 NE ARG A 10 -5.420 12.807 2.277 1.00 0.00 N ATOM 161 CZ ARG A 10 -6.073 13.964 2.417 1.00 0.00 C ATOM 162 NH1 ARG A 10 -6.928 14.361 1.514 1.00 0.00 N ATOM 163 NH2 ARG A 10 -5.857 14.703 3.467 1.00 0.00 N ATOM 0 H ARG A 10 -2.305 9.970 0.062 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.209 8.090 0.930 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.425 10.506 -0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.813 9.631 -0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.009 10.082 2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.680 11.020 1.402 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.410 12.483 0.199 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.663 11.618 1.067 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.760 12.522 3.001 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.104 13.786 0.690 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.420 15.246 1.632 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.192 14.398 4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.353 15.587 3.579 1.00 0.00 H new ATOM 177 N ASN A 11 -3.472 8.022 -2.291 1.00 0.00 N ATOM 178 CA ASN A 11 -3.620 7.232 -3.514 1.00 0.00 C ATOM 179 C ASN A 11 -3.245 5.769 -3.264 1.00 0.00 C ATOM 180 O ASN A 11 -4.046 4.866 -3.524 1.00 0.00 O ATOM 181 CB ASN A 11 -2.736 7.812 -4.626 1.00 0.00 C ATOM 182 CG ASN A 11 -3.068 7.149 -5.961 1.00 0.00 C ATOM 183 OD1 ASN A 11 -4.192 7.264 -6.449 1.00 0.00 O ATOM 184 ND2 ASN A 11 -2.154 6.459 -6.586 1.00 0.00 N ATOM 0 H ASN A 11 -2.809 8.794 -2.361 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.664 7.275 -3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.889 8.889 -4.698 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.685 7.655 -4.385 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.371 6.015 -7.478 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.222 6.363 -6.182 1.00 0.00 H new ATOM 191 N ALA A 12 -2.032 5.539 -2.747 1.00 0.00 N ATOM 192 CA ALA A 12 -1.575 4.174 -2.465 1.00 0.00 C ATOM 193 C ALA A 12 -2.376 3.548 -1.317 1.00 0.00 C ATOM 194 O ALA A 12 -2.571 2.335 -1.288 1.00 0.00 O ATOM 195 CB ALA A 12 -0.076 4.163 -2.125 1.00 0.00 C ATOM 0 H ALA A 12 -1.358 6.269 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.738 3.579 -3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.243 3.141 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.491 4.557 -2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.102 4.783 -1.246 1.00 0.00 H new ATOM 201 N TYR A 13 -2.835 4.386 -0.374 1.00 0.00 N ATOM 202 CA TYR A 13 -3.611 3.914 0.787 1.00 0.00 C ATOM 203 C TYR A 13 -4.834 3.099 0.344 1.00 0.00 C ATOM 204 O TYR A 13 -4.988 1.931 0.727 1.00 0.00 O ATOM 205 CB TYR A 13 -4.070 5.134 1.615 1.00 0.00 C ATOM 206 CG TYR A 13 -4.846 4.704 2.851 1.00 0.00 C ATOM 207 CD1 TYR A 13 -6.210 4.388 2.751 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.205 4.634 4.096 1.00 0.00 C ATOM 209 CE1 TYR A 13 -6.926 4.002 3.890 1.00 0.00 C ATOM 210 CE2 TYR A 13 -4.925 4.250 5.235 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.285 3.934 5.132 1.00 0.00 C ATOM 212 OH TYR A 13 -6.992 3.555 6.254 1.00 0.00 O ATOM 0 H TYR A 13 -2.683 5.394 -0.392 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.976 3.266 1.391 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.201 5.720 1.914 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.694 5.781 0.998 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.708 4.443 1.794 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.156 4.876 4.177 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.975 3.756 3.810 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.430 4.198 6.194 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.397 3.559 7.033 1.00 0.00 H new ATOM 222 N TRP A 14 -5.695 3.724 -0.463 1.00 0.00 N ATOM 223 CA TRP A 14 -6.901 3.051 -0.944 1.00 0.00 C ATOM 224 C TRP A 14 -6.572 1.933 -1.932 1.00 0.00 C ATOM 225 O TRP A 14 -7.211 0.881 -1.900 1.00 0.00 O ATOM 226 CB TRP A 14 -7.849 4.042 -1.617 1.00 0.00 C ATOM 227 CG TRP A 14 -8.387 5.018 -0.611 1.00 0.00 C ATOM 228 CD1 TRP A 14 -8.077 6.336 -0.557 1.00 0.00 C ATOM 229 CD2 TRP A 14 -9.325 4.776 0.480 1.00 0.00 C ATOM 230 NE1 TRP A 14 -8.763 6.915 0.496 1.00 0.00 N ATOM 231 CE2 TRP A 14 -9.544 5.995 1.166 1.00 0.00 C ATOM 232 CE3 TRP A 14 -9.999 3.629 0.937 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -10.401 6.073 2.265 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -10.863 3.704 2.043 1.00 0.00 C ATOM 235 CH2 TRP A 14 -11.063 4.924 2.705 1.00 0.00 C ATOM 0 H TRP A 14 -5.581 4.682 -0.793 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.385 2.616 -0.069 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.324 4.578 -2.408 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -8.672 3.505 -2.088 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -7.404 6.851 -1.227 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.699 7.902 0.747 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.852 2.684 0.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -10.551 7.015 2.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -11.376 2.817 2.385 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -11.728 4.975 3.554 1.00 0.00 H new ATOM 246 N GLU A 15 -5.595 2.170 -2.819 1.00 0.00 N ATOM 247 CA GLU A 15 -5.222 1.164 -3.822 1.00 0.00 C ATOM 248 C GLU A 15 -4.730 -0.124 -3.155 1.00 0.00 C ATOM 249 O GLU A 15 -5.074 -1.221 -3.603 1.00 0.00 O ATOM 250 CB GLU A 15 -4.138 1.720 -4.758 1.00 0.00 C ATOM 251 CG GLU A 15 -4.742 2.775 -5.705 1.00 0.00 C ATOM 252 CD GLU A 15 -5.841 2.159 -6.583 1.00 0.00 C ATOM 253 OE1 GLU A 15 -5.556 1.194 -7.277 1.00 0.00 O ATOM 254 OE2 GLU A 15 -6.954 2.664 -6.549 1.00 0.00 O ATOM 0 H GLU A 15 -5.057 3.035 -2.863 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.111 0.927 -4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.334 2.165 -4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.698 0.909 -5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.155 3.598 -5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.958 3.194 -6.337 1.00 0.00 H new ATOM 261 N ILE A 16 -3.946 0.010 -2.081 1.00 0.00 N ATOM 262 CA ILE A 16 -3.449 -1.165 -1.361 1.00 0.00 C ATOM 263 C ILE A 16 -4.625 -1.924 -0.736 1.00 0.00 C ATOM 264 O ILE A 16 -4.769 -3.134 -0.936 1.00 0.00 O ATOM 265 CB ILE A 16 -2.437 -0.741 -0.274 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.137 -0.251 -0.945 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.111 -1.929 0.651 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.285 0.528 0.066 1.00 0.00 C ATOM 0 H ILE A 16 -3.646 0.906 -1.696 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.938 -1.824 -2.063 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.877 0.061 0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.573 -1.101 -1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.376 0.384 -1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.397 -1.613 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.025 -2.276 1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.681 -2.740 0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.631 0.870 -0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.847 1.389 0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.032 -0.120 0.905 1.00 0.00 H new ATOM 280 N ALA A 17 -5.460 -1.195 0.015 1.00 0.00 N ATOM 281 CA ALA A 17 -6.625 -1.796 0.673 1.00 0.00 C ATOM 282 C ALA A 17 -7.588 -2.414 -0.349 1.00 0.00 C ATOM 283 O ALA A 17 -8.303 -3.368 -0.033 1.00 0.00 O ATOM 284 CB ALA A 17 -7.363 -0.731 1.492 1.00 0.00 C ATOM 0 H ALA A 17 -5.351 -0.195 0.181 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.269 -2.590 1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.228 -1.181 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.692 -0.324 2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.695 0.070 0.832 1.00 0.00 H new ATOM 290 N LEU A 18 -7.606 -1.849 -1.559 1.00 0.00 N ATOM 291 CA LEU A 18 -8.487 -2.325 -2.630 1.00 0.00 C ATOM 292 C LEU A 18 -8.207 -3.787 -2.992 1.00 0.00 C ATOM 293 O LEU A 18 -9.128 -4.510 -3.383 1.00 0.00 O ATOM 294 CB LEU A 18 -8.314 -1.446 -3.880 1.00 0.00 C ATOM 295 CG LEU A 18 -9.363 -1.809 -4.954 1.00 0.00 C ATOM 296 CD1 LEU A 18 -10.773 -1.435 -4.468 1.00 0.00 C ATOM 297 CD2 LEU A 18 -9.051 -1.041 -6.248 1.00 0.00 C ATOM 0 H LEU A 18 -7.018 -1.058 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.512 -2.259 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.414 -0.395 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.311 -1.576 -4.286 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.325 -2.882 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.503 -1.696 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.998 -1.980 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.818 -0.363 -4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.789 -1.295 -7.009 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.085 0.031 -6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.057 -1.314 -6.602 1.00 0.00 H new ATOM 309 N LEU A 19 -6.936 -4.216 -2.885 1.00 0.00 N ATOM 310 CA LEU A 19 -6.568 -5.600 -3.239 1.00 0.00 C ATOM 311 C LEU A 19 -7.400 -6.622 -2.434 1.00 0.00 C ATOM 312 O LEU A 19 -7.646 -6.420 -1.243 1.00 0.00 O ATOM 313 CB LEU A 19 -5.073 -5.847 -3.004 1.00 0.00 C ATOM 314 CG LEU A 19 -4.164 -4.952 -3.904 1.00 0.00 C ATOM 315 CD1 LEU A 19 -2.994 -5.785 -4.425 1.00 0.00 C ATOM 316 CD2 LEU A 19 -4.899 -4.390 -5.134 1.00 0.00 C ATOM 0 H LEU A 19 -6.160 -3.638 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.784 -5.734 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.838 -5.658 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.848 -6.896 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.839 -4.119 -3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.357 -5.164 -5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.414 -6.164 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.375 -6.622 -5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.213 -3.777 -5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.263 -5.214 -5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.742 -3.781 -4.807 1.00 0.00 H new ATOM 328 N PRO A 20 -7.884 -7.674 -3.082 1.00 0.00 N ATOM 329 CA PRO A 20 -8.765 -8.705 -2.447 1.00 0.00 C ATOM 330 C PRO A 20 -8.060 -9.915 -1.809 1.00 0.00 C ATOM 331 O PRO A 20 -8.494 -10.396 -0.759 1.00 0.00 O ATOM 332 CB PRO A 20 -9.612 -9.159 -3.637 1.00 0.00 C ATOM 333 CG PRO A 20 -8.690 -9.089 -4.816 1.00 0.00 C ATOM 334 CD PRO A 20 -7.636 -8.019 -4.501 1.00 0.00 C ATOM 0 HA PRO A 20 -9.297 -8.279 -1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.989 -10.171 -3.490 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.479 -8.513 -3.774 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.217 -10.055 -4.993 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.241 -8.833 -5.721 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.625 -8.400 -4.648 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.746 -7.149 -5.148 1.00 0.00 H new ATOM 342 N ASN A 21 -7.041 -10.454 -2.489 1.00 0.00 N ATOM 343 CA ASN A 21 -6.360 -11.673 -2.026 1.00 0.00 C ATOM 344 C ASN A 21 -5.167 -11.434 -1.093 1.00 0.00 C ATOM 345 O ASN A 21 -4.560 -12.410 -0.636 1.00 0.00 O ATOM 346 CB ASN A 21 -5.911 -12.485 -3.254 1.00 0.00 C ATOM 347 CG ASN A 21 -5.044 -11.632 -4.176 1.00 0.00 C ATOM 348 OD1 ASN A 21 -4.656 -10.516 -3.828 1.00 0.00 O ATOM 349 ND2 ASN A 21 -4.727 -12.088 -5.351 1.00 0.00 N ATOM 0 H ASN A 21 -6.670 -10.069 -3.358 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.086 -12.219 -1.423 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.352 -13.364 -2.931 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.785 -12.845 -3.798 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.159 -11.522 -5.981 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.046 -13.012 -5.643 1.00 0.00 H new ATOM 356 N LEU A 22 -4.829 -10.175 -0.780 1.00 0.00 N ATOM 357 CA LEU A 22 -3.700 -9.938 0.136 1.00 0.00 C ATOM 358 C LEU A 22 -4.040 -10.475 1.517 1.00 0.00 C ATOM 359 O LEU A 22 -5.159 -10.289 2.006 1.00 0.00 O ATOM 360 CB LEU A 22 -3.345 -8.453 0.299 1.00 0.00 C ATOM 361 CG LEU A 22 -2.889 -7.829 -1.016 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.688 -6.319 -0.800 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.555 -8.447 -1.444 1.00 0.00 C ATOM 0 H LEU A 22 -5.296 -9.338 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.845 -10.449 -0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.213 -7.912 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.556 -8.348 1.043 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.638 -8.009 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.362 -5.858 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.628 -5.869 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.931 -6.159 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.232 -7.999 -2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.804 -8.260 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.678 -9.522 -1.577 1.00 0.00 H new ATOM 375 N ASN A 23 -3.062 -11.131 2.143 1.00 0.00 N ATOM 376 CA ASN A 23 -3.252 -11.691 3.494 1.00 0.00 C ATOM 377 C ASN A 23 -3.657 -10.590 4.489 1.00 0.00 C ATOM 378 O ASN A 23 -3.424 -9.402 4.238 1.00 0.00 O ATOM 379 CB ASN A 23 -1.966 -12.379 3.970 1.00 0.00 C ATOM 380 CG ASN A 23 -2.219 -13.168 5.255 1.00 0.00 C ATOM 381 OD1 ASN A 23 -3.297 -13.734 5.447 1.00 0.00 O ATOM 382 ND2 ASN A 23 -1.279 -13.241 6.154 1.00 0.00 N ATOM 0 H ASN A 23 -2.136 -11.290 1.746 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.054 -12.428 3.447 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.597 -13.048 3.193 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.191 -11.633 4.142 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.436 -13.766 7.014 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.386 -12.773 5.997 1.00 0.00 H new ATOM 389 N ASN A 24 -4.292 -10.996 5.594 1.00 0.00 N ATOM 390 CA ASN A 24 -4.771 -10.051 6.614 1.00 0.00 C ATOM 391 C ASN A 24 -3.661 -9.106 7.097 1.00 0.00 C ATOM 392 O ASN A 24 -3.849 -7.886 7.123 1.00 0.00 O ATOM 393 CB ASN A 24 -5.334 -10.840 7.809 1.00 0.00 C ATOM 394 CG ASN A 24 -5.979 -9.898 8.829 1.00 0.00 C ATOM 395 OD1 ASN A 24 -5.397 -9.625 9.879 1.00 0.00 O ATOM 396 ND2 ASN A 24 -7.152 -9.384 8.579 1.00 0.00 N ATOM 0 H ASN A 24 -4.487 -11.974 5.807 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.549 -9.436 6.161 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.071 -11.563 7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.534 -11.406 8.286 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.588 -8.755 9.254 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.633 -9.611 7.709 1.00 0.00 H new ATOM 403 N GLN A 25 -2.521 -9.675 7.490 1.00 0.00 N ATOM 404 CA GLN A 25 -1.399 -8.873 7.987 1.00 0.00 C ATOM 405 C GLN A 25 -0.743 -8.059 6.872 1.00 0.00 C ATOM 406 O GLN A 25 -0.364 -6.909 7.086 1.00 0.00 O ATOM 407 CB GLN A 25 -0.341 -9.781 8.638 1.00 0.00 C ATOM 408 CG GLN A 25 -0.945 -10.553 9.822 1.00 0.00 C ATOM 409 CD GLN A 25 -1.446 -9.590 10.900 1.00 0.00 C ATOM 410 OE1 GLN A 25 -0.660 -8.838 11.476 1.00 0.00 O ATOM 411 NE2 GLN A 25 -2.716 -9.561 11.201 1.00 0.00 N ATOM 0 H GLN A 25 -2.349 -10.680 7.475 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.802 -8.180 8.726 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.048 -10.483 7.900 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.501 -9.180 8.981 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.769 -11.176 9.473 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.196 -11.222 10.246 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.368 -10.184 10.724 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.057 -8.915 11.913 1.00 0.00 H new ATOM 420 N GLN A 26 -0.587 -8.678 5.699 1.00 0.00 N ATOM 421 CA GLN A 26 0.063 -8.021 4.559 1.00 0.00 C ATOM 422 C GLN A 26 -0.660 -6.739 4.134 1.00 0.00 C ATOM 423 O GLN A 26 -0.009 -5.731 3.834 1.00 0.00 O ATOM 424 CB GLN A 26 0.123 -8.993 3.371 1.00 0.00 C ATOM 425 CG GLN A 26 1.068 -10.163 3.703 1.00 0.00 C ATOM 426 CD GLN A 26 1.113 -11.165 2.547 1.00 0.00 C ATOM 427 OE1 GLN A 26 0.013 -11.474 1.915 1.00 0.00 O flip ATOM 428 NE2 GLN A 26 2.179 -11.680 2.214 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.900 -9.631 5.513 1.00 0.00 H new ATOM 0 HA GLN A 26 1.068 -7.741 4.874 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.875 -9.371 3.148 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.473 -8.472 2.480 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.070 -9.783 3.901 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.731 -10.663 4.611 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.038 -11.439 2.708 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.204 -12.349 1.444 1.00 0.00 H new ATOM 437 N LYS A 27 -1.996 -6.782 4.098 1.00 0.00 N ATOM 438 CA LYS A 27 -2.783 -5.613 3.690 1.00 0.00 C ATOM 439 C LYS A 27 -2.515 -4.423 4.612 1.00 0.00 C ATOM 440 O LYS A 27 -2.225 -3.318 4.143 1.00 0.00 O ATOM 441 CB LYS A 27 -4.281 -5.961 3.702 1.00 0.00 C ATOM 442 CG LYS A 27 -5.094 -4.805 3.092 1.00 0.00 C ATOM 443 CD LYS A 27 -6.599 -5.109 3.192 1.00 0.00 C ATOM 444 CE LYS A 27 -6.987 -6.224 2.204 1.00 0.00 C ATOM 445 NZ LYS A 27 -8.153 -5.785 1.380 1.00 0.00 N ATOM 0 H LYS A 27 -2.550 -7.603 4.343 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.485 -5.335 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.455 -6.877 3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.611 -6.149 4.724 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.867 -3.875 3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.812 -4.662 2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.849 -5.412 4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.174 -4.208 2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.142 -6.461 1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.237 -7.135 2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.144 -6.289 0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.036 -5.999 1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.092 -4.761 1.209 1.00 0.00 H new ATOM 459 N ARG A 28 -2.614 -4.658 5.921 1.00 0.00 N ATOM 460 CA ARG A 28 -2.382 -3.608 6.917 1.00 0.00 C ATOM 461 C ARG A 28 -0.895 -3.244 7.011 1.00 0.00 C ATOM 462 O ARG A 28 -0.548 -2.099 7.317 1.00 0.00 O ATOM 463 CB ARG A 28 -2.880 -4.074 8.296 1.00 0.00 C ATOM 464 CG ARG A 28 -4.404 -4.279 8.266 1.00 0.00 C ATOM 465 CD ARG A 28 -4.903 -4.688 9.658 1.00 0.00 C ATOM 466 NE ARG A 28 -4.758 -3.572 10.596 1.00 0.00 N ATOM 467 CZ ARG A 28 -5.118 -3.672 11.880 1.00 0.00 C ATOM 468 NH1 ARG A 28 -5.617 -4.785 12.348 1.00 0.00 N ATOM 469 NH2 ARG A 28 -4.969 -2.650 12.672 1.00 0.00 N ATOM 0 H ARG A 28 -2.853 -5.567 6.318 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.934 -2.722 6.602 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.385 -5.005 8.574 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.619 -3.335 9.054 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.897 -3.360 7.949 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.662 -5.047 7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.948 -4.992 9.603 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.339 -5.549 10.016 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.370 -2.691 10.259 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.736 -5.589 11.732 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.888 -4.850 13.329 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.579 -1.779 12.312 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.242 -2.720 13.652 1.00 0.00 H new ATOM 483 N ALA A 29 -0.030 -4.237 6.779 1.00 0.00 N ATOM 484 CA ALA A 29 1.419 -4.043 6.874 1.00 0.00 C ATOM 485 C ALA A 29 1.934 -2.978 5.899 1.00 0.00 C ATOM 486 O ALA A 29 2.725 -2.119 6.299 1.00 0.00 O ATOM 487 CB ALA A 29 2.140 -5.372 6.613 1.00 0.00 C ATOM 0 H ALA A 29 -0.310 -5.184 6.524 1.00 0.00 H new ATOM 0 HA ALA A 29 1.631 -3.691 7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.217 -5.222 6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.826 -6.108 7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.890 -5.732 5.615 1.00 0.00 H new ATOM 493 N PHE A 30 1.513 -3.039 4.627 1.00 0.00 N ATOM 494 CA PHE A 30 1.986 -2.064 3.632 1.00 0.00 C ATOM 495 C PHE A 30 1.629 -0.629 4.025 1.00 0.00 C ATOM 496 O PHE A 30 2.507 0.238 4.071 1.00 0.00 O ATOM 497 CB PHE A 30 1.408 -2.381 2.247 1.00 0.00 C ATOM 498 CG PHE A 30 2.116 -3.590 1.673 1.00 0.00 C ATOM 499 CD1 PHE A 30 3.496 -3.536 1.438 1.00 0.00 C ATOM 500 CD2 PHE A 30 1.404 -4.760 1.385 1.00 0.00 C ATOM 501 CE1 PHE A 30 4.162 -4.646 0.917 1.00 0.00 C ATOM 502 CE2 PHE A 30 2.073 -5.873 0.863 1.00 0.00 C ATOM 503 CZ PHE A 30 3.455 -5.814 0.629 1.00 0.00 C ATOM 0 H PHE A 30 0.861 -3.736 4.268 1.00 0.00 H new ATOM 0 HA PHE A 30 3.072 -2.144 3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.338 -2.574 2.323 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.531 -1.525 1.584 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.046 -2.633 1.661 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.340 -4.804 1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.226 -4.601 0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.526 -6.777 0.640 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.972 -6.673 0.226 1.00 0.00 H new ATOM 513 N ILE A 31 0.346 -0.381 4.307 1.00 0.00 N ATOM 514 CA ILE A 31 -0.107 0.960 4.695 1.00 0.00 C ATOM 515 C ILE A 31 0.628 1.434 5.960 1.00 0.00 C ATOM 516 O ILE A 31 1.016 2.602 6.054 1.00 0.00 O ATOM 517 CB ILE A 31 -1.642 0.970 4.892 1.00 0.00 C ATOM 518 CG1 ILE A 31 -2.322 0.694 3.526 1.00 0.00 C ATOM 519 CG2 ILE A 31 -2.098 2.335 5.440 1.00 0.00 C ATOM 520 CD1 ILE A 31 -3.857 0.681 3.658 1.00 0.00 C ATOM 0 H ILE A 31 -0.392 -1.084 4.275 1.00 0.00 H new ATOM 0 HA ILE A 31 0.133 1.660 3.894 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.925 0.199 5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.023 1.457 2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.980 -0.264 3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.180 2.330 5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.614 2.522 6.398 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.824 3.120 4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.304 0.485 2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.155 -0.100 4.358 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.199 1.648 4.026 1.00 0.00 H new ATOM 532 N ARG A 32 0.835 0.521 6.915 1.00 0.00 N ATOM 533 CA ARG A 32 1.551 0.864 8.148 1.00 0.00 C ATOM 534 C ARG A 32 3.002 1.239 7.824 1.00 0.00 C ATOM 535 O ARG A 32 3.538 2.227 8.348 1.00 0.00 O ATOM 536 CB ARG A 32 1.520 -0.323 9.125 1.00 0.00 C ATOM 537 CG ARG A 32 2.153 0.082 10.466 1.00 0.00 C ATOM 538 CD ARG A 32 2.039 -1.079 11.464 1.00 0.00 C ATOM 539 NE ARG A 32 2.919 -2.183 11.069 1.00 0.00 N ATOM 540 CZ ARG A 32 4.238 -2.153 11.283 1.00 0.00 C ATOM 541 NH1 ARG A 32 4.800 -1.120 11.850 1.00 0.00 N ATOM 542 NH2 ARG A 32 4.971 -3.165 10.920 1.00 0.00 N ATOM 0 H ARG A 32 0.522 -0.448 6.860 1.00 0.00 H new ATOM 0 HA ARG A 32 1.060 1.718 8.615 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.492 -0.648 9.283 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.060 -1.169 8.699 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.200 0.347 10.320 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.653 0.966 10.863 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.304 -0.735 12.464 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.007 -1.427 11.510 1.00 0.00 H new ATOM 0 HE ARG A 32 2.511 -3.001 10.616 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.231 -0.323 12.136 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.808 -1.110 12.007 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.538 -3.975 10.475 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.978 -3.149 11.080 1.00 0.00 H new ATOM 556 N SER A 33 3.625 0.440 6.948 1.00 0.00 N ATOM 557 CA SER A 33 5.011 0.674 6.535 1.00 0.00 C ATOM 558 C SER A 33 5.154 2.038 5.861 1.00 0.00 C ATOM 559 O SER A 33 6.196 2.684 5.975 1.00 0.00 O ATOM 560 CB SER A 33 5.474 -0.428 5.577 1.00 0.00 C ATOM 561 OG SER A 33 5.397 -1.687 6.234 1.00 0.00 O ATOM 0 H SER A 33 3.190 -0.373 6.513 1.00 0.00 H new ATOM 0 HA SER A 33 5.637 0.659 7.427 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.851 -0.433 4.683 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.497 -0.237 5.252 1.00 0.00 H new ATOM 0 HG SER A 33 4.457 -1.932 6.362 1.00 0.00 H new ATOM 567 N LEU A 34 4.094 2.467 5.158 1.00 0.00 N ATOM 568 CA LEU A 34 4.099 3.763 4.466 1.00 0.00 C ATOM 569 C LEU A 34 4.431 4.885 5.453 1.00 0.00 C ATOM 570 O LEU A 34 5.287 5.730 5.180 1.00 0.00 O ATOM 571 CB LEU A 34 2.719 4.016 3.818 1.00 0.00 C ATOM 572 CG LEU A 34 2.859 4.227 2.293 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.743 3.466 1.559 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.766 5.729 1.963 1.00 0.00 C ATOM 0 H LEU A 34 3.228 1.938 5.055 1.00 0.00 H new ATOM 0 HA LEU A 34 4.860 3.747 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.060 3.170 4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.255 4.893 4.270 1.00 0.00 H new ATOM 0 HG LEU A 34 3.828 3.848 1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.845 3.617 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.819 2.402 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.772 3.838 1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.865 5.872 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.801 6.115 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.565 6.264 2.475 1.00 0.00 H new ATOM 586 N TYR A 35 3.765 4.860 6.610 1.00 0.00 N ATOM 587 CA TYR A 35 4.012 5.855 7.649 1.00 0.00 C ATOM 588 C TYR A 35 5.444 5.708 8.166 1.00 0.00 C ATOM 589 O TYR A 35 6.143 6.703 8.380 1.00 0.00 O ATOM 590 CB TYR A 35 3.012 5.669 8.803 1.00 0.00 C ATOM 591 CG TYR A 35 3.186 6.781 9.823 1.00 0.00 C ATOM 592 CD1 TYR A 35 2.545 8.014 9.632 1.00 0.00 C ATOM 593 CD2 TYR A 35 3.987 6.579 10.957 1.00 0.00 C ATOM 594 CE1 TYR A 35 2.706 9.041 10.572 1.00 0.00 C ATOM 595 CE2 TYR A 35 4.146 7.606 11.895 1.00 0.00 C ATOM 596 CZ TYR A 35 3.506 8.836 11.703 1.00 0.00 C ATOM 597 OH TYR A 35 3.664 9.848 12.628 1.00 0.00 O ATOM 0 H TYR A 35 3.056 4.166 6.847 1.00 0.00 H new ATOM 0 HA TYR A 35 3.882 6.853 7.231 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.993 5.674 8.417 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.168 4.700 9.278 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.927 8.172 8.760 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.481 5.630 11.106 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.213 9.991 10.424 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.763 7.449 12.767 1.00 0.00 H new ATOM 0 HH TYR A 35 4.249 9.541 13.352 1.00 0.00 H new ATOM 607 N ASP A 36 5.865 4.453 8.362 1.00 0.00 N ATOM 608 CA ASP A 36 7.213 4.160 8.857 1.00 0.00 C ATOM 609 C ASP A 36 8.290 4.680 7.896 1.00 0.00 C ATOM 610 O ASP A 36 9.345 5.141 8.338 1.00 0.00 O ATOM 611 CB ASP A 36 7.384 2.648 9.053 1.00 0.00 C ATOM 612 CG ASP A 36 8.718 2.354 9.743 1.00 0.00 C ATOM 613 OD1 ASP A 36 8.762 2.426 10.961 1.00 0.00 O ATOM 614 OD2 ASP A 36 9.676 2.064 9.043 1.00 0.00 O ATOM 0 H ASP A 36 5.293 3.627 8.186 1.00 0.00 H new ATOM 0 HA ASP A 36 7.334 4.670 9.812 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.562 2.256 9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.345 2.142 8.088 1.00 0.00 H new ATOM 619 N ASP A 37 8.026 4.591 6.584 1.00 0.00 N ATOM 620 CA ASP A 37 8.991 5.048 5.576 1.00 0.00 C ATOM 621 C ASP A 37 8.276 5.508 4.289 1.00 0.00 C ATOM 622 O ASP A 37 8.074 4.712 3.361 1.00 0.00 O ATOM 623 CB ASP A 37 9.999 3.921 5.259 1.00 0.00 C ATOM 624 CG ASP A 37 11.375 4.504 4.906 1.00 0.00 C ATOM 625 OD1 ASP A 37 11.431 5.401 4.075 1.00 0.00 O ATOM 626 OD2 ASP A 37 12.354 4.041 5.469 1.00 0.00 O ATOM 0 H ASP A 37 7.161 4.211 6.200 1.00 0.00 H new ATOM 0 HA ASP A 37 9.530 5.903 5.983 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.090 3.256 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.630 3.320 4.428 1.00 0.00 H new ATOM 631 N PRO A 38 7.893 6.772 4.216 1.00 0.00 N ATOM 632 CA PRO A 38 7.193 7.341 3.015 1.00 0.00 C ATOM 633 C PRO A 38 7.972 7.108 1.717 1.00 0.00 C ATOM 634 O PRO A 38 7.389 7.091 0.629 1.00 0.00 O ATOM 635 CB PRO A 38 7.094 8.842 3.323 1.00 0.00 C ATOM 636 CG PRO A 38 7.195 8.955 4.808 1.00 0.00 C ATOM 637 CD PRO A 38 8.077 7.796 5.266 1.00 0.00 C ATOM 0 HA PRO A 38 6.225 6.866 2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.894 9.396 2.832 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.152 9.255 2.962 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.629 9.912 5.097 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.209 8.900 5.270 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.121 8.098 5.351 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.772 7.424 6.244 1.00 0.00 H new ATOM 645 N SER A 39 9.290 6.943 1.848 1.00 0.00 N ATOM 646 CA SER A 39 10.164 6.723 0.693 1.00 0.00 C ATOM 647 C SER A 39 9.754 5.473 -0.089 1.00 0.00 C ATOM 648 O SER A 39 9.909 5.426 -1.312 1.00 0.00 O ATOM 649 CB SER A 39 11.620 6.567 1.157 1.00 0.00 C ATOM 650 OG SER A 39 11.902 7.518 2.177 1.00 0.00 O ATOM 0 H SER A 39 9.777 6.958 2.744 1.00 0.00 H new ATOM 0 HA SER A 39 10.070 7.590 0.039 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.786 5.557 1.532 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.298 6.710 0.315 1.00 0.00 H new ATOM 0 HG SER A 39 11.823 7.089 3.055 1.00 0.00 H new ATOM 656 N GLN A 40 9.253 4.457 0.626 1.00 0.00 N ATOM 657 CA GLN A 40 8.851 3.196 -0.007 1.00 0.00 C ATOM 658 C GLN A 40 7.408 3.245 -0.526 1.00 0.00 C ATOM 659 O GLN A 40 6.920 2.252 -1.052 1.00 0.00 O ATOM 660 CB GLN A 40 8.987 2.043 1.003 1.00 0.00 C ATOM 661 CG GLN A 40 10.431 1.955 1.509 1.00 0.00 C ATOM 662 CD GLN A 40 10.616 0.708 2.372 1.00 0.00 C ATOM 663 OE1 GLN A 40 9.941 0.546 3.389 1.00 0.00 O ATOM 664 NE2 GLN A 40 11.496 -0.189 2.023 1.00 0.00 N ATOM 0 H GLN A 40 9.117 4.484 1.637 1.00 0.00 H new ATOM 0 HA GLN A 40 9.509 3.034 -0.861 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.309 2.201 1.841 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.700 1.102 0.534 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.118 1.926 0.664 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.675 2.846 2.088 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.055 -0.054 1.180 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.625 -1.025 2.593 1.00 0.00 H new ATOM 673 N SER A 41 6.731 4.391 -0.368 1.00 0.00 N ATOM 674 CA SER A 41 5.330 4.542 -0.814 1.00 0.00 C ATOM 675 C SER A 41 5.063 3.862 -2.163 1.00 0.00 C ATOM 676 O SER A 41 4.176 3.008 -2.271 1.00 0.00 O ATOM 677 CB SER A 41 4.983 6.027 -0.928 1.00 0.00 C ATOM 678 OG SER A 41 5.961 6.681 -1.726 1.00 0.00 O ATOM 0 H SER A 41 7.125 5.227 0.063 1.00 0.00 H new ATOM 0 HA SER A 41 4.704 4.054 -0.067 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.995 6.148 -1.373 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.944 6.480 0.063 1.00 0.00 H new ATOM 0 HG SER A 41 6.694 6.992 -1.155 1.00 0.00 H new ATOM 684 N ALA A 42 5.833 4.244 -3.176 1.00 0.00 N ATOM 685 CA ALA A 42 5.675 3.671 -4.513 1.00 0.00 C ATOM 686 C ALA A 42 5.972 2.170 -4.511 1.00 0.00 C ATOM 687 O ALA A 42 5.304 1.392 -5.204 1.00 0.00 O ATOM 688 CB ALA A 42 6.627 4.371 -5.488 1.00 0.00 C ATOM 0 H ALA A 42 6.570 4.945 -3.100 1.00 0.00 H new ATOM 0 HA ALA A 42 4.641 3.819 -4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.508 3.943 -6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.396 5.436 -5.521 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.656 4.233 -5.154 1.00 0.00 H new ATOM 694 N ASN A 43 6.988 1.776 -3.739 1.00 0.00 N ATOM 695 CA ASN A 43 7.394 0.369 -3.661 1.00 0.00 C ATOM 696 C ASN A 43 6.337 -0.483 -2.962 1.00 0.00 C ATOM 697 O ASN A 43 5.987 -1.555 -3.444 1.00 0.00 O ATOM 698 CB ASN A 43 8.714 0.237 -2.887 1.00 0.00 C ATOM 699 CG ASN A 43 9.848 1.007 -3.565 1.00 0.00 C ATOM 700 OD1 ASN A 43 9.739 1.419 -4.723 1.00 0.00 O ATOM 701 ND2 ASN A 43 10.947 1.216 -2.899 1.00 0.00 N ATOM 0 H ASN A 43 7.543 2.408 -3.161 1.00 0.00 H new ATOM 0 HA ASN A 43 7.517 0.014 -4.684 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.579 0.608 -1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.986 -0.816 -2.808 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.719 1.721 -3.334 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.036 0.875 -1.942 1.00 0.00 H new ATOM 708 N LEU A 44 5.855 -0.001 -1.816 1.00 0.00 N ATOM 709 CA LEU A 44 4.855 -0.724 -1.027 1.00 0.00 C ATOM 710 C LEU A 44 3.596 -0.990 -1.855 1.00 0.00 C ATOM 711 O LEU A 44 3.026 -2.084 -1.797 1.00 0.00 O ATOM 712 CB LEU A 44 4.488 0.101 0.207 1.00 0.00 C ATOM 713 CG LEU A 44 5.730 0.351 1.104 1.00 0.00 C ATOM 714 CD1 LEU A 44 5.436 1.489 2.089 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.087 -0.913 1.897 1.00 0.00 C ATOM 0 H LEU A 44 6.142 0.890 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 44 5.278 -1.681 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.062 1.055 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.721 -0.419 0.780 1.00 0.00 H new ATOM 0 HG LEU A 44 6.569 0.619 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.310 1.662 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.202 2.398 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.587 1.217 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.960 -0.717 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.246 -1.195 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.309 -1.726 1.205 1.00 0.00 H new ATOM 727 N LEU A 45 3.178 0.013 -2.633 1.00 0.00 N ATOM 728 CA LEU A 45 1.997 -0.121 -3.492 1.00 0.00 C ATOM 729 C LEU A 45 2.230 -1.237 -4.514 1.00 0.00 C ATOM 730 O LEU A 45 1.409 -2.151 -4.657 1.00 0.00 O ATOM 731 CB LEU A 45 1.740 1.221 -4.198 1.00 0.00 C ATOM 732 CG LEU A 45 0.655 1.086 -5.289 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.677 0.648 -4.666 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.467 2.441 -5.991 1.00 0.00 C ATOM 0 H LEU A 45 3.637 0.922 -2.686 1.00 0.00 H new ATOM 0 HA LEU A 45 1.123 -0.381 -2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.430 1.966 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.666 1.581 -4.646 1.00 0.00 H new ATOM 0 HG LEU A 45 0.972 0.334 -6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.432 0.557 -5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.548 -0.315 -4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.999 1.390 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.298 2.348 -6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.158 3.189 -5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.408 2.747 -6.449 1.00 0.00 H new ATOM 746 N ALA A 46 3.371 -1.158 -5.198 1.00 0.00 N ATOM 747 CA ALA A 46 3.741 -2.170 -6.195 1.00 0.00 C ATOM 748 C ALA A 46 3.890 -3.534 -5.525 1.00 0.00 C ATOM 749 O ALA A 46 3.525 -4.564 -6.095 1.00 0.00 O ATOM 750 CB ALA A 46 5.062 -1.795 -6.863 1.00 0.00 C ATOM 0 H ALA A 46 4.054 -0.409 -5.083 1.00 0.00 H new ATOM 0 HA ALA A 46 2.954 -2.216 -6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.325 -2.554 -7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.958 -0.829 -7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.847 -1.734 -6.109 1.00 0.00 H new ATOM 756 N GLU A 47 4.421 -3.519 -4.302 1.00 0.00 N ATOM 757 CA GLU A 47 4.609 -4.738 -3.524 1.00 0.00 C ATOM 758 C GLU A 47 3.250 -5.393 -3.259 1.00 0.00 C ATOM 759 O GLU A 47 3.134 -6.625 -3.243 1.00 0.00 O ATOM 760 CB GLU A 47 5.328 -4.400 -2.210 1.00 0.00 C ATOM 761 CG GLU A 47 6.842 -4.246 -2.458 1.00 0.00 C ATOM 762 CD GLU A 47 7.488 -5.609 -2.738 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.421 -6.472 -1.875 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.057 -5.769 -3.807 1.00 0.00 O ATOM 0 H GLU A 47 4.729 -2.669 -3.829 1.00 0.00 H new ATOM 0 HA GLU A 47 5.225 -5.444 -4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.924 -3.477 -1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.150 -5.186 -1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.011 -3.578 -3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.313 -3.787 -1.589 1.00 0.00 H new ATOM 771 N ALA A 48 2.215 -4.554 -3.105 1.00 0.00 N ATOM 772 CA ALA A 48 0.852 -5.048 -2.904 1.00 0.00 C ATOM 773 C ALA A 48 0.419 -5.784 -4.168 1.00 0.00 C ATOM 774 O ALA A 48 -0.141 -6.881 -4.110 1.00 0.00 O ATOM 775 CB ALA A 48 -0.100 -3.879 -2.621 1.00 0.00 C ATOM 0 H ALA A 48 2.298 -3.537 -3.116 1.00 0.00 H new ATOM 0 HA ALA A 48 0.823 -5.723 -2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.110 -4.260 -2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.225 -3.355 -1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.092 -3.190 -3.466 1.00 0.00 H new ATOM 781 N LYS A 49 0.728 -5.171 -5.314 1.00 0.00 N ATOM 782 CA LYS A 49 0.420 -5.762 -6.613 1.00 0.00 C ATOM 783 C LYS A 49 1.174 -7.081 -6.785 1.00 0.00 C ATOM 784 O LYS A 49 0.650 -8.028 -7.377 1.00 0.00 O ATOM 785 CB LYS A 49 0.810 -4.787 -7.737 1.00 0.00 C ATOM 786 CG LYS A 49 -0.365 -3.855 -8.059 1.00 0.00 C ATOM 787 CD LYS A 49 -1.301 -4.542 -9.067 1.00 0.00 C ATOM 788 CE LYS A 49 -2.710 -3.943 -8.972 1.00 0.00 C ATOM 789 NZ LYS A 49 -3.517 -4.384 -10.146 1.00 0.00 N ATOM 0 H LYS A 49 1.192 -4.264 -5.365 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.651 -5.959 -6.665 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.677 -4.200 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.097 -5.344 -8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.910 -3.611 -7.147 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.004 -2.916 -8.471 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.913 -4.419 -10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.339 -5.613 -8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.190 -4.261 -8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.653 -2.855 -8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.473 -3.978 -10.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.061 -4.060 -11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.581 -5.422 -10.153 1.00 0.00 H new ATOM 803 N LYS A 50 2.406 -7.129 -6.265 1.00 0.00 N ATOM 804 CA LYS A 50 3.236 -8.328 -6.360 1.00 0.00 C ATOM 805 C LYS A 50 2.591 -9.492 -5.609 1.00 0.00 C ATOM 806 O LYS A 50 2.447 -10.589 -6.158 1.00 0.00 O ATOM 807 CB LYS A 50 4.616 -8.034 -5.768 1.00 0.00 C ATOM 808 CG LYS A 50 5.587 -9.177 -6.101 1.00 0.00 C ATOM 809 CD LYS A 50 6.993 -8.824 -5.591 1.00 0.00 C ATOM 810 CE LYS A 50 7.085 -9.062 -4.078 1.00 0.00 C ATOM 811 NZ LYS A 50 8.432 -8.645 -3.592 1.00 0.00 N ATOM 0 H LYS A 50 2.847 -6.350 -5.775 1.00 0.00 H new ATOM 0 HA LYS A 50 3.334 -8.607 -7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.998 -7.094 -6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.539 -7.915 -4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.245 -10.104 -5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.611 -9.345 -7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.737 -9.430 -6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.218 -7.782 -5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.309 -8.497 -3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.915 -10.115 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.484 -8.774 -2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.162 -9.226 -4.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.590 -7.644 -3.824 1.00 0.00 H new ATOM 825 N LEU A 51 2.206 -9.243 -4.350 1.00 0.00 N ATOM 826 CA LEU A 51 1.572 -10.278 -3.528 1.00 0.00 C ATOM 827 C LEU A 51 0.246 -10.711 -4.145 1.00 0.00 C ATOM 828 O LEU A 51 -0.056 -11.905 -4.193 1.00 0.00 O ATOM 829 CB LEU A 51 1.368 -9.768 -2.088 1.00 0.00 C ATOM 830 CG LEU A 51 2.572 -10.184 -1.219 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.615 -9.326 0.048 1.00 0.00 C ATOM 832 CD2 LEU A 51 2.450 -11.666 -0.827 1.00 0.00 C ATOM 0 H LEU A 51 2.322 -8.343 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 51 2.229 -11.147 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.263 -8.683 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.447 -10.178 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 51 3.488 -10.037 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.467 -9.623 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.714 -8.276 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.695 -9.468 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.304 -11.952 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.530 -11.818 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.429 -12.280 -1.727 1.00 0.00 H new ATOM 844 N ASN A 52 -0.530 -9.740 -4.633 1.00 0.00 N ATOM 845 CA ASN A 52 -1.812 -10.039 -5.273 1.00 0.00 C ATOM 846 C ASN A 52 -1.601 -10.930 -6.498 1.00 0.00 C ATOM 847 O ASN A 52 -2.298 -11.931 -6.674 1.00 0.00 O ATOM 848 CB ASN A 52 -2.506 -8.728 -5.677 1.00 0.00 C ATOM 849 CG ASN A 52 -3.610 -8.970 -6.714 1.00 0.00 C ATOM 850 OD1 ASN A 52 -4.770 -9.419 -6.332 1.00 0.00 O flip ATOM 851 ND2 ASN A 52 -3.402 -8.743 -7.907 1.00 0.00 N flip ATOM 0 H ASN A 52 -0.295 -8.748 -4.598 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.446 -10.574 -4.566 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.934 -8.255 -4.793 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.769 -8.036 -6.084 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.493 -8.391 -8.208 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.139 -8.907 -8.593 1.00 0.00 H new ATOM 858 N ASP A 53 -0.637 -10.553 -7.337 1.00 0.00 N ATOM 859 CA ASP A 53 -0.337 -11.315 -8.547 1.00 0.00 C ATOM 860 C ASP A 53 0.145 -12.723 -8.205 1.00 0.00 C ATOM 861 O ASP A 53 -0.175 -13.682 -8.912 1.00 0.00 O ATOM 862 CB ASP A 53 0.737 -10.583 -9.361 1.00 0.00 C ATOM 863 CG ASP A 53 0.974 -11.284 -10.703 1.00 0.00 C ATOM 864 OD1 ASP A 53 0.224 -11.019 -11.630 1.00 0.00 O ATOM 865 OD2 ASP A 53 1.901 -12.076 -10.784 1.00 0.00 O ATOM 0 H ASP A 53 -0.053 -9.728 -7.201 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.251 -11.402 -9.135 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.429 -9.552 -9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.668 -10.547 -8.795 1.00 0.00 H new ATOM 870 N ALA A 54 0.942 -12.828 -7.141 1.00 0.00 N ATOM 871 CA ALA A 54 1.498 -14.116 -6.737 1.00 0.00 C ATOM 872 C ALA A 54 0.459 -15.014 -6.049 1.00 0.00 C ATOM 873 O ALA A 54 0.301 -16.180 -6.420 1.00 0.00 O ATOM 874 CB ALA A 54 2.685 -13.888 -5.793 1.00 0.00 C ATOM 0 H ALA A 54 1.214 -12.043 -6.549 1.00 0.00 H new ATOM 0 HA ALA A 54 1.824 -14.629 -7.642 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.100 -14.850 -5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.451 -13.307 -6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.348 -13.345 -4.910 1.00 0.00 H new ATOM 880 N GLN A 55 -0.227 -14.471 -5.036 1.00 0.00 N ATOM 881 CA GLN A 55 -1.232 -15.235 -4.283 1.00 0.00 C ATOM 882 C GLN A 55 -2.438 -15.606 -5.149 1.00 0.00 C ATOM 883 O GLN A 55 -3.104 -16.611 -4.883 1.00 0.00 O ATOM 884 CB GLN A 55 -1.705 -14.436 -3.056 1.00 0.00 C ATOM 885 CG GLN A 55 -0.545 -14.252 -2.069 1.00 0.00 C ATOM 886 CD GLN A 55 -0.911 -13.170 -1.062 1.00 0.00 C ATOM 887 OE1 GLN A 55 -1.249 -11.990 -1.502 1.00 0.00 O flip ATOM 888 NE2 GLN A 55 -0.894 -13.403 0.146 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.106 -13.509 -4.719 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.754 -16.159 -3.957 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.084 -13.463 -3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.529 -14.957 -2.568 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.338 -15.190 -1.554 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.363 -13.975 -2.604 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.629 -14.328 0.483 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.145 -12.671 0.810 1.00 0.00 H new ATOM 897 N ALA A 56 -2.725 -14.787 -6.167 1.00 0.00 N ATOM 898 CA ALA A 56 -3.868 -15.037 -7.051 1.00 0.00 C ATOM 899 C ALA A 56 -3.763 -16.419 -7.715 1.00 0.00 C ATOM 900 O ALA A 56 -2.659 -16.886 -8.012 1.00 0.00 O ATOM 901 CB ALA A 56 -3.949 -13.954 -8.132 1.00 0.00 C ATOM 0 H ALA A 56 -2.186 -13.952 -6.398 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.772 -15.012 -6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.802 -14.151 -8.782 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.070 -12.978 -7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.033 -13.961 -8.723 1.00 0.00 H new ATOM 907 N PRO A 57 -4.887 -17.073 -7.954 1.00 0.00 N ATOM 908 CA PRO A 57 -4.920 -18.424 -8.598 1.00 0.00 C ATOM 909 C PRO A 57 -4.474 -18.374 -10.061 1.00 0.00 C ATOM 910 O PRO A 57 -4.495 -17.310 -10.685 1.00 0.00 O ATOM 911 CB PRO A 57 -6.387 -18.862 -8.476 1.00 0.00 C ATOM 912 CG PRO A 57 -7.169 -17.599 -8.326 1.00 0.00 C ATOM 913 CD PRO A 57 -6.249 -16.593 -7.641 1.00 0.00 C ATOM 0 HA PRO A 57 -4.232 -19.121 -8.119 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.705 -19.418 -9.358 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.531 -19.517 -7.617 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.494 -17.227 -9.298 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.068 -17.768 -7.733 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.412 -15.584 -8.019 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.423 -16.563 -6.565 1.00 0.00 H new ATOM 921 N LYS A 58 -4.075 -19.539 -10.582 1.00 0.00 N ATOM 922 CA LYS A 58 -3.612 -19.676 -11.972 1.00 0.00 C ATOM 923 C LYS A 58 -2.317 -18.875 -12.202 1.00 0.00 C ATOM 924 O LYS A 58 -2.396 -17.680 -12.448 1.00 0.00 O ATOM 925 CB LYS A 58 -4.715 -19.234 -12.962 1.00 0.00 C ATOM 926 CG LYS A 58 -5.951 -20.139 -12.811 1.00 0.00 C ATOM 927 CD LYS A 58 -6.983 -19.812 -13.904 1.00 0.00 C ATOM 928 CE LYS A 58 -7.620 -18.440 -13.641 1.00 0.00 C ATOM 929 NZ LYS A 58 -8.614 -18.145 -14.713 1.00 0.00 N ATOM 930 OXT LYS A 58 -1.257 -19.477 -12.125 1.00 0.00 O ATOM 0 H LYS A 58 -4.063 -20.413 -10.056 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.393 -20.728 -12.154 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.989 -18.196 -12.774 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.340 -19.285 -13.984 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.655 -21.186 -12.881 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.396 -19.998 -11.826 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.501 -19.816 -14.882 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.755 -20.581 -13.927 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.107 -18.433 -12.666 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.851 -17.667 -13.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.048 -17.216 -14.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.136 -18.136 -15.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.352 -18.877 -14.713 1.00 0.00 H new