USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=9 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 39 SER OG : rot 82:sc= 0.933 USER MOD Set 1.2: A 40 GLN : amide:sc= 0.751 K(o=1.7,f=-4.5!) USER MOD Set 2.1: A 23 ASN : amide:sc= -0.476 K(o=-8.2,f=-5.4) USER MOD Set 2.2: A 26 GLN : amide:sc= -4.24! C(o=-8.2!,f=-5.4!) USER MOD Set 2.3: A 55 GLN : amide:sc= -3.49! K(o=-8.2!,f=-5.4) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.977 K(o=-2.1,f=-5.2!) USER MOD Set 3.2: A 52 ASN : amide:sc= -1.12 K(o=-2.1,f=-0.7) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -175:sc= -0.362 (180deg=-0.37) USER MOD Single : A 11 ASN : amide:sc= 0.299 X(o=0.3,f=-0.027) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.0586 K(o=0.059,f=-1.1) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -128:sc= 1.89 (180deg=-2.18) USER MOD Single : A 33 SER OG : rot 70:sc= 1.14 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -89:sc= 0.672 USER MOD Single : A 43 ASN : amide:sc=-0.00384 K(o=-0.0038,f=-1.2) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 141:sc= 0.676 (180deg=0.428) USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= 0.467 (180deg=-0.308) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 -0.824 13.393 -0.797 1.00 0.00 N ATOM 100 CA LYS A 7 -1.727 12.964 -1.874 1.00 0.00 C ATOM 101 C LYS A 7 -1.339 11.591 -2.428 1.00 0.00 C ATOM 102 O LYS A 7 -2.186 10.694 -2.531 1.00 0.00 O ATOM 103 CB LYS A 7 -1.718 13.996 -2.999 1.00 0.00 C ATOM 104 CG LYS A 7 -2.437 15.249 -2.499 1.00 0.00 C ATOM 105 CD LYS A 7 -2.630 16.238 -3.642 1.00 0.00 C ATOM 106 CE LYS A 7 -3.445 17.418 -3.123 1.00 0.00 C ATOM 107 NZ LYS A 7 -3.876 18.275 -4.265 1.00 0.00 N ATOM 0 HA LYS A 7 -2.730 12.883 -1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.695 14.234 -3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.216 13.599 -3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.404 14.977 -2.076 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.859 15.714 -1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.665 16.579 -4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.144 15.759 -4.476 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.317 17.058 -2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.850 18.003 -2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.431 19.078 -3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.038 18.631 -4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.460 17.715 -4.918 1.00 0.00 H new ATOM 121 N GLU A 8 -0.051 11.423 -2.756 1.00 0.00 N ATOM 122 CA GLU A 8 0.452 10.144 -3.283 1.00 0.00 C ATOM 123 C GLU A 8 0.208 9.027 -2.266 1.00 0.00 C ATOM 124 O GLU A 8 -0.080 7.882 -2.632 1.00 0.00 O ATOM 125 CB GLU A 8 1.955 10.247 -3.582 1.00 0.00 C ATOM 126 CG GLU A 8 2.202 11.281 -4.701 1.00 0.00 C ATOM 127 CD GLU A 8 3.690 11.349 -5.099 1.00 0.00 C ATOM 128 OE1 GLU A 8 4.536 10.931 -4.317 1.00 0.00 O ATOM 129 OE2 GLU A 8 3.961 11.824 -6.190 1.00 0.00 O ATOM 0 H GLU A 8 0.659 12.150 -2.667 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.080 9.914 -4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.494 10.539 -2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.342 9.273 -3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.604 11.021 -5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.870 12.264 -4.367 1.00 0.00 H new ATOM 136 N MET A 9 0.305 9.393 -0.988 1.00 0.00 N ATOM 137 CA MET A 9 0.076 8.451 0.099 1.00 0.00 C ATOM 138 C MET A 9 -1.370 7.957 0.065 1.00 0.00 C ATOM 139 O MET A 9 -1.624 6.762 0.230 1.00 0.00 O ATOM 140 CB MET A 9 0.366 9.141 1.449 1.00 0.00 C ATOM 141 CG MET A 9 1.361 8.317 2.278 1.00 0.00 C ATOM 142 SD MET A 9 2.352 9.438 3.299 1.00 0.00 S ATOM 143 CE MET A 9 3.558 9.900 2.029 1.00 0.00 C ATOM 0 H MET A 9 0.541 10.337 -0.683 1.00 0.00 H new ATOM 0 HA MET A 9 0.742 7.597 -0.019 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.770 10.138 1.274 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.563 9.266 2.006 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.827 7.606 2.909 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.008 7.736 1.621 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.330 10.529 2.472 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.015 9.000 1.617 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.055 10.449 1.232 1.00 0.00 H new ATOM 153 N ARG A 10 -2.312 8.889 -0.151 1.00 0.00 N ATOM 154 CA ARG A 10 -3.734 8.540 -0.202 1.00 0.00 C ATOM 155 C ARG A 10 -4.015 7.553 -1.335 1.00 0.00 C ATOM 156 O ARG A 10 -4.820 6.628 -1.174 1.00 0.00 O ATOM 157 CB ARG A 10 -4.587 9.803 -0.397 1.00 0.00 C ATOM 158 CG ARG A 10 -4.472 10.710 0.839 1.00 0.00 C ATOM 159 CD ARG A 10 -5.402 11.921 0.682 1.00 0.00 C ATOM 160 NE ARG A 10 -5.171 12.880 1.766 1.00 0.00 N ATOM 161 CZ ARG A 10 -5.861 14.021 1.863 1.00 0.00 C ATOM 162 NH1 ARG A 10 -6.777 14.324 0.982 1.00 0.00 N ATOM 163 NH2 ARG A 10 -5.618 14.838 2.846 1.00 0.00 N ATOM 0 H ARG A 10 -2.114 9.880 -0.291 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.997 8.069 0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.257 10.341 -1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.629 9.527 -0.560 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.735 10.152 1.737 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.442 11.044 0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.227 12.401 -0.281 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.442 11.594 0.691 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.462 12.670 2.468 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.972 13.687 0.210 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.297 15.197 1.067 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.904 14.606 3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.141 15.710 2.925 1.00 0.00 H new ATOM 177 N ASN A 11 -3.351 7.754 -2.477 1.00 0.00 N ATOM 178 CA ASN A 11 -3.544 6.873 -3.630 1.00 0.00 C ATOM 179 C ASN A 11 -3.138 5.437 -3.292 1.00 0.00 C ATOM 180 O ASN A 11 -3.941 4.512 -3.433 1.00 0.00 O ATOM 181 CB ASN A 11 -2.729 7.377 -4.829 1.00 0.00 C ATOM 182 CG ASN A 11 -3.395 8.610 -5.438 1.00 0.00 C ATOM 183 OD1 ASN A 11 -3.825 8.580 -6.591 1.00 0.00 O ATOM 184 ND2 ASN A 11 -3.510 9.698 -4.730 1.00 0.00 N ATOM 0 H ASN A 11 -2.683 8.510 -2.626 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.603 6.882 -3.889 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.715 7.621 -4.512 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.648 6.591 -5.579 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.956 10.523 -5.131 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.154 9.725 -3.774 1.00 0.00 H new ATOM 191 N ALA A 12 -1.893 5.253 -2.839 1.00 0.00 N ATOM 192 CA ALA A 12 -1.408 3.915 -2.487 1.00 0.00 C ATOM 193 C ALA A 12 -2.198 3.336 -1.307 1.00 0.00 C ATOM 194 O ALA A 12 -2.396 2.125 -1.227 1.00 0.00 O ATOM 195 CB ALA A 12 0.091 3.958 -2.151 1.00 0.00 C ATOM 0 H ALA A 12 -1.212 6.001 -2.709 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.557 3.266 -3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.435 2.957 -1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.647 4.320 -3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.256 4.628 -1.307 1.00 0.00 H new ATOM 201 N TYR A 13 -2.642 4.208 -0.393 1.00 0.00 N ATOM 202 CA TYR A 13 -3.404 3.775 0.788 1.00 0.00 C ATOM 203 C TYR A 13 -4.646 2.966 0.386 1.00 0.00 C ATOM 204 O TYR A 13 -4.793 1.797 0.777 1.00 0.00 O ATOM 205 CB TYR A 13 -3.836 5.018 1.590 1.00 0.00 C ATOM 206 CG TYR A 13 -4.516 4.618 2.886 1.00 0.00 C ATOM 207 CD1 TYR A 13 -5.876 4.271 2.894 1.00 0.00 C ATOM 208 CD2 TYR A 13 -3.791 4.618 4.088 1.00 0.00 C ATOM 209 CE1 TYR A 13 -6.504 3.922 4.096 1.00 0.00 C ATOM 210 CE2 TYR A 13 -4.422 4.268 5.288 1.00 0.00 C ATOM 211 CZ TYR A 13 -5.777 3.921 5.292 1.00 0.00 C ATOM 212 OH TYR A 13 -6.397 3.577 6.476 1.00 0.00 O ATOM 0 H TYR A 13 -2.488 5.215 -0.447 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.766 3.133 1.396 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.965 5.636 1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.515 5.624 0.991 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.439 4.273 1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.745 4.888 4.087 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.550 3.653 4.100 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.862 4.266 6.211 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.750 3.626 7.210 1.00 0.00 H new ATOM 222 N TRP A 14 -5.535 3.595 -0.391 1.00 0.00 N ATOM 223 CA TRP A 14 -6.765 2.930 -0.828 1.00 0.00 C ATOM 224 C TRP A 14 -6.493 1.834 -1.864 1.00 0.00 C ATOM 225 O TRP A 14 -7.153 0.793 -1.839 1.00 0.00 O ATOM 226 CB TRP A 14 -7.753 3.943 -1.412 1.00 0.00 C ATOM 227 CG TRP A 14 -8.228 4.881 -0.338 1.00 0.00 C ATOM 228 CD1 TRP A 14 -7.903 6.193 -0.245 1.00 0.00 C ATOM 229 CD2 TRP A 14 -9.109 4.600 0.791 1.00 0.00 C ATOM 230 NE1 TRP A 14 -8.525 6.731 0.867 1.00 0.00 N ATOM 231 CE2 TRP A 14 -9.279 5.789 1.538 1.00 0.00 C ATOM 232 CE3 TRP A 14 -9.769 3.437 1.234 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -10.075 5.826 2.684 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -10.571 3.472 2.388 1.00 0.00 C ATOM 235 CH2 TRP A 14 -10.722 4.664 3.111 1.00 0.00 C ATOM 0 H TRP A 14 -5.427 4.552 -0.726 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.198 2.463 0.057 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.276 4.507 -2.213 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -8.603 3.421 -1.852 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -7.262 6.731 -0.928 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.437 7.705 1.156 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.658 2.514 0.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -10.190 6.747 3.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -11.074 2.576 2.720 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -11.338 4.684 3.998 1.00 0.00 H new ATOM 246 N GLU A 15 -5.540 2.071 -2.778 1.00 0.00 N ATOM 247 CA GLU A 15 -5.224 1.079 -3.817 1.00 0.00 C ATOM 248 C GLU A 15 -4.782 -0.243 -3.189 1.00 0.00 C ATOM 249 O GLU A 15 -5.201 -1.314 -3.636 1.00 0.00 O ATOM 250 CB GLU A 15 -4.129 1.612 -4.755 1.00 0.00 C ATOM 251 CG GLU A 15 -4.715 2.675 -5.705 1.00 0.00 C ATOM 252 CD GLU A 15 -5.796 2.074 -6.610 1.00 0.00 C ATOM 253 OE1 GLU A 15 -5.534 1.055 -7.234 1.00 0.00 O ATOM 254 OE2 GLU A 15 -6.867 2.650 -6.677 1.00 0.00 O ATOM 0 H GLU A 15 -4.984 2.925 -2.820 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.128 0.899 -4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.317 2.044 -4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.704 0.792 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.138 3.493 -5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.919 3.098 -6.317 1.00 0.00 H new ATOM 261 N ILE A 16 -3.963 -0.168 -2.138 1.00 0.00 N ATOM 262 CA ILE A 16 -3.512 -1.379 -1.449 1.00 0.00 C ATOM 263 C ILE A 16 -4.710 -2.059 -0.783 1.00 0.00 C ATOM 264 O ILE A 16 -4.914 -3.267 -0.940 1.00 0.00 O ATOM 265 CB ILE A 16 -2.431 -1.029 -0.404 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.155 -0.560 -1.130 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.101 -2.261 0.462 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.209 0.126 -0.138 1.00 0.00 C ATOM 0 H ILE A 16 -3.603 0.704 -1.750 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.072 -2.066 -2.172 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.807 -0.235 0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.656 -1.412 -1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.416 0.130 -1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.337 -1.997 1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.001 -2.593 0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.731 -3.065 -0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.690 0.454 -0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.708 0.989 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.065 -0.577 0.649 1.00 0.00 H new ATOM 280 N ALA A 17 -5.499 -1.266 -0.046 1.00 0.00 N ATOM 281 CA ALA A 17 -6.682 -1.791 0.647 1.00 0.00 C ATOM 282 C ALA A 17 -7.668 -2.431 -0.336 1.00 0.00 C ATOM 283 O ALA A 17 -8.394 -3.361 0.025 1.00 0.00 O ATOM 284 CB ALA A 17 -7.382 -0.658 1.406 1.00 0.00 C ATOM 0 H ALA A 17 -5.341 -0.267 0.085 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.349 -2.558 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.260 -1.052 1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.695 -0.231 2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.690 0.116 0.702 1.00 0.00 H new ATOM 290 N LEU A 18 -7.696 -1.913 -1.569 1.00 0.00 N ATOM 291 CA LEU A 18 -8.604 -2.421 -2.603 1.00 0.00 C ATOM 292 C LEU A 18 -8.345 -3.902 -2.906 1.00 0.00 C ATOM 293 O LEU A 18 -9.289 -4.651 -3.173 1.00 0.00 O ATOM 294 CB LEU A 18 -8.448 -1.588 -3.887 1.00 0.00 C ATOM 295 CG LEU A 18 -9.520 -1.982 -4.925 1.00 0.00 C ATOM 296 CD1 LEU A 18 -10.914 -1.560 -4.437 1.00 0.00 C ATOM 297 CD2 LEU A 18 -9.217 -1.282 -6.260 1.00 0.00 C ATOM 0 H LEU A 18 -7.101 -1.143 -1.875 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.623 -2.332 -2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.535 -0.527 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.454 -1.741 -4.307 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.503 -3.064 -5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.661 -1.844 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.134 -2.056 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.938 -0.480 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.973 -1.558 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.229 -0.202 -6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.234 -1.589 -6.617 1.00 0.00 H new ATOM 309 N LEU A 19 -7.071 -4.320 -2.871 1.00 0.00 N ATOM 310 CA LEU A 19 -6.727 -5.719 -3.156 1.00 0.00 C ATOM 311 C LEU A 19 -7.340 -6.639 -2.081 1.00 0.00 C ATOM 312 O LEU A 19 -7.069 -6.471 -0.889 1.00 0.00 O ATOM 313 CB LEU A 19 -5.195 -5.873 -3.203 1.00 0.00 C ATOM 314 CG LEU A 19 -4.652 -5.707 -4.646 1.00 0.00 C ATOM 315 CD1 LEU A 19 -5.382 -4.583 -5.405 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.154 -5.372 -4.590 1.00 0.00 C ATOM 0 H LEU A 19 -6.275 -3.721 -2.652 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.135 -6.007 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.733 -5.131 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.915 -6.853 -2.818 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.821 -6.645 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.973 -4.498 -6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.445 -4.815 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.245 -3.639 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.769 -5.255 -5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.009 -4.444 -4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.619 -6.179 -4.090 1.00 0.00 H new ATOM 328 N PRO A 20 -8.187 -7.577 -2.483 1.00 0.00 N ATOM 329 CA PRO A 20 -8.898 -8.517 -1.549 1.00 0.00 C ATOM 330 C PRO A 20 -8.154 -9.815 -1.193 1.00 0.00 C ATOM 331 O PRO A 20 -8.421 -10.397 -0.137 1.00 0.00 O ATOM 332 CB PRO A 20 -10.152 -8.853 -2.354 1.00 0.00 C ATOM 333 CG PRO A 20 -9.664 -8.921 -3.765 1.00 0.00 C ATOM 334 CD PRO A 20 -8.577 -7.851 -3.885 1.00 0.00 C ATOM 0 HA PRO A 20 -9.042 -8.050 -0.575 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.589 -9.799 -2.036 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.921 -8.090 -2.233 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.266 -9.910 -3.993 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.475 -8.734 -4.468 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.730 -8.206 -4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.953 -6.954 -4.377 1.00 0.00 H new ATOM 342 N ASN A 21 -7.281 -10.300 -2.087 1.00 0.00 N ATOM 343 CA ASN A 21 -6.588 -11.576 -1.858 1.00 0.00 C ATOM 344 C ASN A 21 -5.335 -11.446 -0.989 1.00 0.00 C ATOM 345 O ASN A 21 -4.687 -12.457 -0.697 1.00 0.00 O ATOM 346 CB ASN A 21 -6.241 -12.218 -3.212 1.00 0.00 C ATOM 347 CG ASN A 21 -5.324 -11.314 -4.030 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.001 -10.196 -3.619 1.00 0.00 O ATOM 349 ND2 ASN A 21 -4.896 -11.729 -5.186 1.00 0.00 N ATOM 0 H ASN A 21 -7.040 -9.836 -2.963 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.272 -12.215 -1.299 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.756 -13.180 -3.048 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.156 -12.414 -3.770 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.294 -11.131 -5.752 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.162 -12.653 -5.527 1.00 0.00 H new ATOM 356 N LEU A 22 -5.004 -10.228 -0.551 1.00 0.00 N ATOM 357 CA LEU A 22 -3.833 -10.049 0.312 1.00 0.00 C ATOM 358 C LEU A 22 -4.143 -10.585 1.700 1.00 0.00 C ATOM 359 O LEU A 22 -5.221 -10.321 2.245 1.00 0.00 O ATOM 360 CB LEU A 22 -3.431 -8.572 0.455 1.00 0.00 C ATOM 361 CG LEU A 22 -3.139 -7.934 -0.906 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.220 -6.406 -0.772 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.728 -8.314 -1.367 1.00 0.00 C ATOM 0 H LEU A 22 -5.514 -9.373 -0.772 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.008 -10.590 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.231 -8.023 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.549 -8.494 1.091 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.869 -8.290 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.013 -5.945 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.219 -6.122 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.485 -6.065 -0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.526 -7.857 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.999 -7.958 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.653 -9.398 -1.455 1.00 0.00 H new ATOM 375 N ASN A 23 -3.188 -11.325 2.272 1.00 0.00 N ATOM 376 CA ASN A 23 -3.361 -11.886 3.624 1.00 0.00 C ATOM 377 C ASN A 23 -3.694 -10.764 4.619 1.00 0.00 C ATOM 378 O ASN A 23 -3.212 -9.639 4.472 1.00 0.00 O ATOM 379 CB ASN A 23 -2.086 -12.618 4.076 1.00 0.00 C ATOM 380 CG ASN A 23 -1.745 -13.761 3.120 1.00 0.00 C ATOM 381 OD1 ASN A 23 -2.635 -14.452 2.620 1.00 0.00 O ATOM 382 ND2 ASN A 23 -0.497 -14.008 2.841 1.00 0.00 N ATOM 0 H ASN A 23 -2.297 -11.550 1.830 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.183 -12.601 3.597 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.254 -11.915 4.120 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.225 -13.010 5.083 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.257 -14.772 2.210 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.241 -13.437 3.254 1.00 0.00 H new ATOM 389 N ASN A 24 -4.542 -11.075 5.612 1.00 0.00 N ATOM 390 CA ASN A 24 -4.981 -10.084 6.618 1.00 0.00 C ATOM 391 C ASN A 24 -3.808 -9.314 7.243 1.00 0.00 C ATOM 392 O ASN A 24 -3.895 -8.097 7.437 1.00 0.00 O ATOM 393 CB ASN A 24 -5.766 -10.796 7.730 1.00 0.00 C ATOM 394 CG ASN A 24 -7.033 -11.432 7.159 1.00 0.00 C ATOM 395 OD1 ASN A 24 -6.972 -12.505 6.558 1.00 0.00 O ATOM 396 ND2 ASN A 24 -8.182 -10.833 7.311 1.00 0.00 N ATOM 0 H ASN A 24 -4.940 -12.005 5.743 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.611 -9.359 6.102 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.143 -11.562 8.192 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.029 -10.084 8.512 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.030 -11.254 6.932 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.232 -9.944 7.809 1.00 0.00 H new ATOM 403 N GLN A 25 -2.722 -10.024 7.545 1.00 0.00 N ATOM 404 CA GLN A 25 -1.540 -9.392 8.139 1.00 0.00 C ATOM 405 C GLN A 25 -0.887 -8.418 7.153 1.00 0.00 C ATOM 406 O GLN A 25 -0.453 -7.329 7.540 1.00 0.00 O ATOM 407 CB GLN A 25 -0.522 -10.466 8.554 1.00 0.00 C ATOM 408 CG GLN A 25 -1.103 -11.331 9.684 1.00 0.00 C ATOM 409 CD GLN A 25 -0.075 -12.367 10.135 1.00 0.00 C ATOM 410 OE1 GLN A 25 0.998 -12.009 10.617 1.00 0.00 O ATOM 411 NE2 GLN A 25 -0.341 -13.638 10.006 1.00 0.00 N ATOM 0 H GLN A 25 -2.634 -11.028 7.391 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.859 -8.834 9.019 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.272 -11.092 7.698 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.403 -9.994 8.885 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.388 -10.700 10.526 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.008 -11.832 9.340 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.231 -13.935 9.606 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.341 -14.335 10.305 1.00 0.00 H new ATOM 420 N GLN A 26 -0.812 -8.829 5.884 1.00 0.00 N ATOM 421 CA GLN A 26 -0.196 -8.007 4.838 1.00 0.00 C ATOM 422 C GLN A 26 -0.984 -6.717 4.581 1.00 0.00 C ATOM 423 O GLN A 26 -0.390 -5.658 4.373 1.00 0.00 O ATOM 424 CB GLN A 26 -0.089 -8.812 3.534 1.00 0.00 C ATOM 425 CG GLN A 26 0.874 -9.996 3.728 1.00 0.00 C ATOM 426 CD GLN A 26 0.967 -10.820 2.444 1.00 0.00 C ATOM 427 OE1 GLN A 26 2.060 -11.040 1.923 1.00 0.00 O ATOM 428 NE2 GLN A 26 -0.123 -11.288 1.900 1.00 0.00 N ATOM 0 H GLN A 26 -1.170 -9.726 5.556 1.00 0.00 H new ATOM 0 HA GLN A 26 0.798 -7.727 5.186 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.073 -9.177 3.240 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.267 -8.170 2.728 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.862 -9.628 4.005 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.527 -10.625 4.548 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.028 -11.105 2.333 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.070 -11.837 1.042 1.00 0.00 H new ATOM 437 N LYS A 27 -2.323 -6.812 4.584 1.00 0.00 N ATOM 438 CA LYS A 27 -3.184 -5.640 4.328 1.00 0.00 C ATOM 439 C LYS A 27 -2.868 -4.496 5.299 1.00 0.00 C ATOM 440 O LYS A 27 -2.600 -3.367 4.878 1.00 0.00 O ATOM 441 CB LYS A 27 -4.663 -6.037 4.479 1.00 0.00 C ATOM 442 CG LYS A 27 -5.048 -7.068 3.408 1.00 0.00 C ATOM 443 CD LYS A 27 -6.468 -7.600 3.682 1.00 0.00 C ATOM 444 CE LYS A 27 -7.385 -7.277 2.499 1.00 0.00 C ATOM 445 NZ LYS A 27 -7.069 -8.189 1.358 1.00 0.00 N ATOM 0 H LYS A 27 -2.832 -7.678 4.759 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.991 -5.297 3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.836 -6.452 5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.295 -5.154 4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.005 -6.612 2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.334 -7.892 3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.437 -8.677 3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.864 -7.151 4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.428 -7.393 2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.252 -6.239 2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.906 -7.626 0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.214 -8.739 1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.867 -8.838 1.201 1.00 0.00 H new ATOM 459 N ARG A 28 -2.893 -4.813 6.591 1.00 0.00 N ATOM 460 CA ARG A 28 -2.601 -3.831 7.637 1.00 0.00 C ATOM 461 C ARG A 28 -1.114 -3.452 7.643 1.00 0.00 C ATOM 462 O ARG A 28 -0.760 -2.302 7.916 1.00 0.00 O ATOM 463 CB ARG A 28 -3.000 -4.412 9.003 1.00 0.00 C ATOM 464 CG ARG A 28 -2.832 -3.353 10.107 1.00 0.00 C ATOM 465 CD ARG A 28 -3.297 -3.931 11.451 1.00 0.00 C ATOM 466 NE ARG A 28 -3.221 -2.908 12.500 1.00 0.00 N ATOM 467 CZ ARG A 28 -2.076 -2.607 13.120 1.00 0.00 C ATOM 468 NH1 ARG A 28 -0.963 -3.211 12.800 1.00 0.00 N ATOM 469 NH2 ARG A 28 -2.070 -1.699 14.054 1.00 0.00 N ATOM 0 H ARG A 28 -3.113 -5.745 6.942 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.176 -2.927 7.436 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.035 -4.753 8.972 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.384 -5.283 9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.788 -3.045 10.174 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.412 -2.463 9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.320 -4.296 11.363 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.676 -4.785 11.721 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.071 -2.410 12.765 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.961 -3.922 12.069 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.096 -2.972 13.281 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.936 -1.223 14.308 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.200 -1.464 14.531 1.00 0.00 H new ATOM 483 N ALA A 29 -0.253 -4.439 7.373 1.00 0.00 N ATOM 484 CA ALA A 29 1.197 -4.230 7.387 1.00 0.00 C ATOM 485 C ALA A 29 1.655 -3.170 6.381 1.00 0.00 C ATOM 486 O ALA A 29 2.301 -2.193 6.771 1.00 0.00 O ATOM 487 CB ALA A 29 1.912 -5.554 7.094 1.00 0.00 C ATOM 0 H ALA A 29 -0.537 -5.391 7.142 1.00 0.00 H new ATOM 0 HA ALA A 29 1.457 -3.866 8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.990 -5.395 7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.645 -6.288 7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.609 -5.922 6.114 1.00 0.00 H new ATOM 493 N PHE A 30 1.358 -3.376 5.090 1.00 0.00 N ATOM 494 CA PHE A 30 1.797 -2.427 4.054 1.00 0.00 C ATOM 495 C PHE A 30 1.266 -1.013 4.297 1.00 0.00 C ATOM 496 O PHE A 30 2.031 -0.047 4.215 1.00 0.00 O ATOM 497 CB PHE A 30 1.381 -2.914 2.658 1.00 0.00 C ATOM 498 CG PHE A 30 2.404 -3.916 2.153 1.00 0.00 C ATOM 499 CD1 PHE A 30 3.518 -3.468 1.429 1.00 0.00 C ATOM 500 CD2 PHE A 30 2.254 -5.283 2.418 1.00 0.00 C ATOM 501 CE1 PHE A 30 4.475 -4.380 0.972 1.00 0.00 C ATOM 502 CE2 PHE A 30 3.210 -6.196 1.959 1.00 0.00 C ATOM 503 CZ PHE A 30 4.321 -5.745 1.236 1.00 0.00 C ATOM 0 H PHE A 30 0.827 -4.174 4.742 1.00 0.00 H new ATOM 0 HA PHE A 30 2.885 -2.382 4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.394 -3.374 2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.311 -2.070 1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.638 -2.415 1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.399 -5.633 2.978 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.332 -4.031 0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.091 -7.250 2.163 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.058 -6.450 0.882 1.00 0.00 H new ATOM 513 N ILE A 31 -0.032 -0.886 4.594 1.00 0.00 N ATOM 514 CA ILE A 31 -0.616 0.437 4.842 1.00 0.00 C ATOM 515 C ILE A 31 0.062 1.105 6.048 1.00 0.00 C ATOM 516 O ILE A 31 0.307 2.313 6.034 1.00 0.00 O ATOM 517 CB ILE A 31 -2.147 0.334 5.031 1.00 0.00 C ATOM 518 CG1 ILE A 31 -2.782 -0.127 3.695 1.00 0.00 C ATOM 519 CG2 ILE A 31 -2.717 1.706 5.440 1.00 0.00 C ATOM 520 CD1 ILE A 31 -4.312 -0.242 3.808 1.00 0.00 C ATOM 0 H ILE A 31 -0.686 -1.665 4.668 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.438 1.067 3.970 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.377 -0.386 5.816 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.527 0.581 2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.364 -1.091 3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.796 1.627 5.572 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.260 2.026 6.376 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.499 2.437 4.662 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.724 -0.567 2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.566 -0.969 4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.731 0.729 4.072 1.00 0.00 H new ATOM 532 N ARG A 32 0.386 0.310 7.075 1.00 0.00 N ATOM 533 CA ARG A 32 1.068 0.840 8.260 1.00 0.00 C ATOM 534 C ARG A 32 2.498 1.258 7.895 1.00 0.00 C ATOM 535 O ARG A 32 2.987 2.310 8.333 1.00 0.00 O ATOM 536 CB ARG A 32 1.098 -0.223 9.372 1.00 0.00 C ATOM 537 CG ARG A 32 1.686 0.377 10.661 1.00 0.00 C ATOM 538 CD ARG A 32 1.704 -0.686 11.768 1.00 0.00 C ATOM 539 NE ARG A 32 2.116 -0.089 13.043 1.00 0.00 N ATOM 540 CZ ARG A 32 3.390 0.212 13.311 1.00 0.00 C ATOM 541 NH1 ARG A 32 4.330 -0.017 12.434 1.00 0.00 N ATOM 542 NH2 ARG A 32 3.698 0.738 14.461 1.00 0.00 N ATOM 0 H ARG A 32 0.190 -0.690 7.110 1.00 0.00 H new ATOM 0 HA ARG A 32 0.524 1.712 8.622 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.090 -0.592 9.560 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.696 -1.077 9.053 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.697 0.740 10.476 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.093 1.235 10.977 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.714 -1.131 11.870 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.388 -1.490 11.498 1.00 0.00 H new ATOM 0 HE ARG A 32 1.406 0.103 13.749 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.096 -0.430 11.531 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.299 0.218 12.651 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.969 0.918 15.151 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.669 0.970 14.672 1.00 0.00 H new ATOM 556 N SER A 33 3.157 0.417 7.087 1.00 0.00 N ATOM 557 CA SER A 33 4.532 0.676 6.647 1.00 0.00 C ATOM 558 C SER A 33 4.625 2.001 5.894 1.00 0.00 C ATOM 559 O SER A 33 5.634 2.699 5.992 1.00 0.00 O ATOM 560 CB SER A 33 5.024 -0.460 5.745 1.00 0.00 C ATOM 561 OG SER A 33 4.947 -1.691 6.453 1.00 0.00 O ATOM 0 H SER A 33 2.758 -0.449 6.725 1.00 0.00 H new ATOM 0 HA SER A 33 5.162 0.733 7.535 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.418 -0.509 4.840 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.051 -0.272 5.431 1.00 0.00 H new ATOM 0 HG SER A 33 4.007 -1.942 6.572 1.00 0.00 H new ATOM 567 N LEU A 34 3.567 2.340 5.145 1.00 0.00 N ATOM 568 CA LEU A 34 3.535 3.594 4.377 1.00 0.00 C ATOM 569 C LEU A 34 3.778 4.794 5.297 1.00 0.00 C ATOM 570 O LEU A 34 4.555 5.692 4.964 1.00 0.00 O ATOM 571 CB LEU A 34 2.172 3.739 3.664 1.00 0.00 C ATOM 572 CG LEU A 34 2.326 3.479 2.150 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.075 2.769 1.611 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.515 4.817 1.411 1.00 0.00 C ATOM 0 H LEU A 34 2.727 1.769 5.054 1.00 0.00 H new ATOM 0 HA LEU A 34 4.328 3.566 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.456 3.036 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.773 4.740 3.829 1.00 0.00 H new ATOM 0 HG LEU A 34 3.198 2.846 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.191 2.589 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.946 1.818 2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.199 3.396 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.623 4.630 0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.646 5.453 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.409 5.316 1.785 1.00 0.00 H new ATOM 586 N TYR A 35 3.120 4.789 6.458 1.00 0.00 N ATOM 587 CA TYR A 35 3.282 5.869 7.430 1.00 0.00 C ATOM 588 C TYR A 35 4.705 5.857 7.999 1.00 0.00 C ATOM 589 O TYR A 35 5.323 6.911 8.167 1.00 0.00 O ATOM 590 CB TYR A 35 2.259 5.709 8.568 1.00 0.00 C ATOM 591 CG TYR A 35 2.329 6.905 9.502 1.00 0.00 C ATOM 592 CD1 TYR A 35 1.616 8.075 9.199 1.00 0.00 C ATOM 593 CD2 TYR A 35 3.109 6.846 10.666 1.00 0.00 C ATOM 594 CE1 TYR A 35 1.683 9.178 10.058 1.00 0.00 C ATOM 595 CE2 TYR A 35 3.175 7.951 11.524 1.00 0.00 C ATOM 596 CZ TYR A 35 2.462 9.117 11.220 1.00 0.00 C ATOM 597 OH TYR A 35 2.527 10.205 12.064 1.00 0.00 O ATOM 0 H TYR A 35 2.474 4.054 6.746 1.00 0.00 H new ATOM 0 HA TYR A 35 3.111 6.822 6.930 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.254 5.618 8.155 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.460 4.792 9.122 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.015 8.124 8.303 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.660 5.947 10.901 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.133 10.078 9.824 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.776 7.904 12.420 1.00 0.00 H new ATOM 0 HH TYR A 35 3.110 9.995 12.823 1.00 0.00 H new ATOM 607 N ASP A 36 5.203 4.654 8.307 1.00 0.00 N ATOM 608 CA ASP A 36 6.547 4.496 8.877 1.00 0.00 C ATOM 609 C ASP A 36 7.646 4.908 7.885 1.00 0.00 C ATOM 610 O ASP A 36 8.647 5.510 8.284 1.00 0.00 O ATOM 611 CB ASP A 36 6.759 3.037 9.301 1.00 0.00 C ATOM 612 CG ASP A 36 8.029 2.913 10.147 1.00 0.00 C ATOM 613 OD1 ASP A 36 7.949 3.164 11.340 1.00 0.00 O ATOM 614 OD2 ASP A 36 9.061 2.572 9.592 1.00 0.00 O ATOM 0 H ASP A 36 4.698 3.778 8.172 1.00 0.00 H new ATOM 0 HA ASP A 36 6.618 5.154 9.743 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.898 2.687 9.871 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.837 2.402 8.419 1.00 0.00 H new ATOM 619 N ASP A 37 7.460 4.562 6.602 1.00 0.00 N ATOM 620 CA ASP A 37 8.442 4.876 5.553 1.00 0.00 C ATOM 621 C ASP A 37 7.731 5.383 4.284 1.00 0.00 C ATOM 622 O ASP A 37 7.581 4.640 3.306 1.00 0.00 O ATOM 623 CB ASP A 37 9.274 3.616 5.228 1.00 0.00 C ATOM 624 CG ASP A 37 10.072 3.152 6.448 1.00 0.00 C ATOM 625 OD1 ASP A 37 10.789 3.961 7.020 1.00 0.00 O ATOM 626 OD2 ASP A 37 9.969 1.988 6.781 1.00 0.00 O ATOM 0 H ASP A 37 6.636 4.063 6.265 1.00 0.00 H new ATOM 0 HA ASP A 37 9.105 5.662 5.914 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.613 2.815 4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.955 3.829 4.404 1.00 0.00 H new ATOM 631 N PRO A 38 7.289 6.629 4.278 1.00 0.00 N ATOM 632 CA PRO A 38 6.578 7.223 3.098 1.00 0.00 C ATOM 633 C PRO A 38 7.455 7.245 1.843 1.00 0.00 C ATOM 634 O PRO A 38 6.944 7.269 0.721 1.00 0.00 O ATOM 635 CB PRO A 38 6.214 8.645 3.555 1.00 0.00 C ATOM 636 CG PRO A 38 7.107 8.943 4.714 1.00 0.00 C ATOM 637 CD PRO A 38 7.418 7.604 5.378 1.00 0.00 C ATOM 0 HA PRO A 38 5.704 6.637 2.813 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.365 9.365 2.750 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.165 8.706 3.844 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.022 9.433 4.382 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.619 9.620 5.416 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.420 7.593 5.807 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.722 7.388 6.188 1.00 0.00 H new ATOM 645 N SER A 39 8.774 7.239 2.047 1.00 0.00 N ATOM 646 CA SER A 39 9.727 7.261 0.937 1.00 0.00 C ATOM 647 C SER A 39 9.576 6.022 0.048 1.00 0.00 C ATOM 648 O SER A 39 9.844 6.084 -1.156 1.00 0.00 O ATOM 649 CB SER A 39 11.156 7.319 1.484 1.00 0.00 C ATOM 650 OG SER A 39 11.457 6.097 2.149 1.00 0.00 O ATOM 0 H SER A 39 9.206 7.219 2.971 1.00 0.00 H new ATOM 0 HA SER A 39 9.521 8.145 0.334 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.862 7.487 0.671 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.259 8.156 2.174 1.00 0.00 H new ATOM 0 HG SER A 39 11.726 5.423 1.490 1.00 0.00 H new ATOM 656 N GLN A 40 9.162 4.900 0.652 1.00 0.00 N ATOM 657 CA GLN A 40 8.993 3.645 -0.085 1.00 0.00 C ATOM 658 C GLN A 40 7.565 3.518 -0.629 1.00 0.00 C ATOM 659 O GLN A 40 7.208 2.479 -1.180 1.00 0.00 O ATOM 660 CB GLN A 40 9.285 2.444 0.841 1.00 0.00 C ATOM 661 CG GLN A 40 10.525 2.709 1.713 1.00 0.00 C ATOM 662 CD GLN A 40 11.761 2.937 0.848 1.00 0.00 C ATOM 663 OE1 GLN A 40 11.936 4.017 0.284 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.640 1.984 0.719 1.00 0.00 N ATOM 0 H GLN A 40 8.939 4.838 1.645 1.00 0.00 H new ATOM 0 HA GLN A 40 9.693 3.649 -0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.422 2.253 1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.443 1.548 0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.352 3.581 2.343 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.694 1.863 2.379 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.494 1.089 1.187 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.474 2.133 0.150 1.00 0.00 H new ATOM 673 N SER A 41 6.753 4.571 -0.458 1.00 0.00 N ATOM 674 CA SER A 41 5.348 4.574 -0.909 1.00 0.00 C ATOM 675 C SER A 41 5.153 3.902 -2.274 1.00 0.00 C ATOM 676 O SER A 41 4.326 2.993 -2.409 1.00 0.00 O ATOM 677 CB SER A 41 4.835 6.013 -0.988 1.00 0.00 C ATOM 678 OG SER A 41 5.751 6.803 -1.739 1.00 0.00 O ATOM 0 H SER A 41 7.045 5.438 -0.008 1.00 0.00 H new ATOM 0 HA SER A 41 4.784 3.997 -0.176 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.851 6.034 -1.456 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.720 6.425 0.015 1.00 0.00 H new ATOM 0 HG SER A 41 6.428 7.179 -1.138 1.00 0.00 H new ATOM 684 N ALA A 42 5.908 4.357 -3.272 1.00 0.00 N ATOM 685 CA ALA A 42 5.804 3.800 -4.622 1.00 0.00 C ATOM 686 C ALA A 42 6.169 2.315 -4.631 1.00 0.00 C ATOM 687 O ALA A 42 5.534 1.512 -5.323 1.00 0.00 O ATOM 688 CB ALA A 42 6.738 4.560 -5.568 1.00 0.00 C ATOM 0 H ALA A 42 6.595 5.105 -3.174 1.00 0.00 H new ATOM 0 HA ALA A 42 4.772 3.906 -4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.658 4.142 -6.572 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.456 5.613 -5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.766 4.466 -5.217 1.00 0.00 H new ATOM 694 N ASN A 43 7.199 1.964 -3.858 1.00 0.00 N ATOM 695 CA ASN A 43 7.659 0.575 -3.781 1.00 0.00 C ATOM 696 C ASN A 43 6.620 -0.314 -3.097 1.00 0.00 C ATOM 697 O ASN A 43 6.314 -1.398 -3.587 1.00 0.00 O ATOM 698 CB ASN A 43 8.979 0.487 -2.998 1.00 0.00 C ATOM 699 CG ASN A 43 10.101 1.262 -3.694 1.00 0.00 C ATOM 700 OD1 ASN A 43 9.955 1.715 -4.831 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.232 1.426 -3.067 1.00 0.00 N ATOM 0 H ASN A 43 7.728 2.617 -3.280 1.00 0.00 H new ATOM 0 HA ASN A 43 7.811 0.226 -4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.833 0.882 -1.993 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.270 -0.558 -2.891 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.996 1.929 -3.517 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.353 1.051 -2.126 1.00 0.00 H new ATOM 708 N LEU A 44 6.097 0.149 -1.959 1.00 0.00 N ATOM 709 CA LEU A 44 5.108 -0.617 -1.197 1.00 0.00 C ATOM 710 C LEU A 44 3.874 -0.919 -2.047 1.00 0.00 C ATOM 711 O LEU A 44 3.341 -2.027 -1.993 1.00 0.00 O ATOM 712 CB LEU A 44 4.683 0.168 0.041 1.00 0.00 C ATOM 713 CG LEU A 44 5.888 0.449 0.970 1.00 0.00 C ATOM 714 CD1 LEU A 44 5.432 1.274 2.179 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.512 -0.865 1.463 1.00 0.00 C ATOM 0 H LEU A 44 6.341 1.049 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 44 5.569 -1.559 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.227 1.111 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.924 -0.392 0.586 1.00 0.00 H new ATOM 0 HG LEU A 44 6.634 1.005 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.285 1.469 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.013 2.220 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.673 0.720 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.357 -0.644 2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.767 -1.437 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.855 -1.448 0.608 1.00 0.00 H new ATOM 727 N LEU A 45 3.435 0.069 -2.836 1.00 0.00 N ATOM 728 CA LEU A 45 2.269 -0.109 -3.712 1.00 0.00 C ATOM 729 C LEU A 45 2.557 -1.217 -4.725 1.00 0.00 C ATOM 730 O LEU A 45 1.750 -2.135 -4.912 1.00 0.00 O ATOM 731 CB LEU A 45 1.958 1.218 -4.428 1.00 0.00 C ATOM 732 CG LEU A 45 0.941 1.015 -5.576 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.382 0.456 -5.030 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.676 2.358 -6.271 1.00 0.00 C ATOM 0 H LEU A 45 3.865 0.993 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 45 1.400 -0.397 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.561 1.936 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.879 1.643 -4.827 1.00 0.00 H new ATOM 0 HG LEU A 45 1.358 0.304 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.086 0.319 -5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.199 -0.503 -4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.801 1.155 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.041 2.214 -7.080 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.271 3.067 -5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.609 2.747 -6.678 1.00 0.00 H new ATOM 746 N ALA A 46 3.730 -1.126 -5.351 1.00 0.00 N ATOM 747 CA ALA A 46 4.156 -2.131 -6.330 1.00 0.00 C ATOM 748 C ALA A 46 4.278 -3.495 -5.649 1.00 0.00 C ATOM 749 O ALA A 46 3.837 -4.517 -6.184 1.00 0.00 O ATOM 750 CB ALA A 46 5.510 -1.733 -6.928 1.00 0.00 C ATOM 0 H ALA A 46 4.400 -0.372 -5.200 1.00 0.00 H new ATOM 0 HA ALA A 46 3.415 -2.190 -7.127 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.822 -2.483 -7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.419 -0.765 -7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.253 -1.667 -6.134 1.00 0.00 H new ATOM 756 N GLU A 47 4.866 -3.480 -4.452 1.00 0.00 N ATOM 757 CA GLU A 47 5.048 -4.691 -3.655 1.00 0.00 C ATOM 758 C GLU A 47 3.696 -5.305 -3.289 1.00 0.00 C ATOM 759 O GLU A 47 3.539 -6.529 -3.300 1.00 0.00 O ATOM 760 CB GLU A 47 5.823 -4.348 -2.374 1.00 0.00 C ATOM 761 CG GLU A 47 7.321 -4.164 -2.687 1.00 0.00 C ATOM 762 CD GLU A 47 7.957 -5.498 -3.104 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.938 -6.423 -2.304 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.452 -5.578 -4.219 1.00 0.00 O ATOM 0 H GLU A 47 5.227 -2.634 -4.011 1.00 0.00 H new ATOM 0 HA GLU A 47 5.610 -5.416 -4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.422 -3.436 -1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.693 -5.142 -1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.443 -3.432 -3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.835 -3.769 -1.811 1.00 0.00 H new ATOM 771 N ALA A 48 2.722 -4.449 -2.976 1.00 0.00 N ATOM 772 CA ALA A 48 1.386 -4.919 -2.623 1.00 0.00 C ATOM 773 C ALA A 48 0.758 -5.614 -3.825 1.00 0.00 C ATOM 774 O ALA A 48 0.142 -6.674 -3.690 1.00 0.00 O ATOM 775 CB ALA A 48 0.508 -3.746 -2.179 1.00 0.00 C ATOM 0 H ALA A 48 2.834 -3.435 -2.960 1.00 0.00 H new ATOM 0 HA ALA A 48 1.464 -5.625 -1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.485 -4.113 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.956 -3.265 -1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.427 -3.024 -2.992 1.00 0.00 H new ATOM 781 N LYS A 49 0.941 -5.012 -5.004 1.00 0.00 N ATOM 782 CA LYS A 49 0.409 -5.580 -6.236 1.00 0.00 C ATOM 783 C LYS A 49 1.070 -6.934 -6.503 1.00 0.00 C ATOM 784 O LYS A 49 0.423 -7.866 -6.991 1.00 0.00 O ATOM 785 CB LYS A 49 0.678 -4.631 -7.411 1.00 0.00 C ATOM 786 CG LYS A 49 -0.417 -4.797 -8.477 1.00 0.00 C ATOM 787 CD LYS A 49 0.095 -4.297 -9.837 1.00 0.00 C ATOM 788 CE LYS A 49 -1.042 -3.609 -10.604 1.00 0.00 C ATOM 789 NZ LYS A 49 -0.578 -3.265 -11.978 1.00 0.00 N ATOM 0 H LYS A 49 1.451 -4.137 -5.126 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.667 -5.717 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.702 -3.600 -7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.655 -4.843 -7.845 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.708 -5.845 -8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.307 -4.239 -8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.920 -3.600 -9.691 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.484 -5.133 -10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.910 -4.266 -10.656 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.356 -2.707 -10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.349 -2.799 -12.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.238 -2.623 -11.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.299 -4.133 -12.478 1.00 0.00 H new ATOM 803 N LYS A 50 2.365 -7.026 -6.172 1.00 0.00 N ATOM 804 CA LYS A 50 3.131 -8.254 -6.362 1.00 0.00 C ATOM 805 C LYS A 50 2.499 -9.403 -5.575 1.00 0.00 C ATOM 806 O LYS A 50 2.356 -10.514 -6.091 1.00 0.00 O ATOM 807 CB LYS A 50 4.572 -8.026 -5.892 1.00 0.00 C ATOM 808 CG LYS A 50 5.456 -9.218 -6.287 1.00 0.00 C ATOM 809 CD LYS A 50 6.928 -8.891 -5.988 1.00 0.00 C ATOM 810 CE LYS A 50 7.202 -8.993 -4.481 1.00 0.00 C ATOM 811 NZ LYS A 50 8.559 -8.449 -4.187 1.00 0.00 N ATOM 0 H LYS A 50 2.902 -6.258 -5.770 1.00 0.00 H new ATOM 0 HA LYS A 50 3.129 -8.519 -7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.965 -7.111 -6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.592 -7.892 -4.810 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.152 -10.108 -5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.331 -9.441 -7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.577 -9.579 -6.530 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.163 -7.886 -6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.447 -8.438 -3.924 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.137 -10.032 -4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.532 -7.913 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.236 -9.234 -4.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.856 -7.821 -4.961 1.00 0.00 H new ATOM 825 N LEU A 51 2.111 -9.113 -4.327 1.00 0.00 N ATOM 826 CA LEU A 51 1.472 -10.115 -3.470 1.00 0.00 C ATOM 827 C LEU A 51 0.145 -10.558 -4.083 1.00 0.00 C ATOM 828 O LEU A 51 -0.155 -11.751 -4.130 1.00 0.00 O ATOM 829 CB LEU A 51 1.245 -9.527 -2.067 1.00 0.00 C ATOM 830 CG LEU A 51 2.591 -9.396 -1.332 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.398 -8.582 -0.049 1.00 0.00 C ATOM 832 CD2 LEU A 51 3.135 -10.792 -0.978 1.00 0.00 C ATOM 0 H LEU A 51 2.228 -8.198 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 51 2.123 -10.985 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.766 -8.551 -2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.571 -10.168 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 51 3.304 -8.889 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.352 -8.490 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.025 -7.589 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.680 -9.087 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.088 -10.690 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.423 -11.307 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.280 -11.368 -1.892 1.00 0.00 H new ATOM 844 N ASN A 52 -0.628 -9.584 -4.570 1.00 0.00 N ATOM 845 CA ASN A 52 -1.914 -9.869 -5.208 1.00 0.00 C ATOM 846 C ASN A 52 -1.711 -10.744 -6.443 1.00 0.00 C ATOM 847 O ASN A 52 -2.409 -11.741 -6.632 1.00 0.00 O ATOM 848 CB ASN A 52 -2.588 -8.542 -5.606 1.00 0.00 C ATOM 849 CG ASN A 52 -3.757 -8.773 -6.568 1.00 0.00 C ATOM 850 OD1 ASN A 52 -3.592 -8.673 -7.783 1.00 0.00 O ATOM 851 ND2 ASN A 52 -4.930 -9.073 -6.096 1.00 0.00 N ATOM 0 H ASN A 52 -0.386 -8.594 -4.535 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.552 -10.406 -4.506 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.947 -8.032 -4.712 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.854 -7.886 -6.074 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.712 -9.225 -6.733 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.068 -9.156 -5.089 1.00 0.00 H new ATOM 858 N ASP A 53 -0.755 -10.347 -7.279 1.00 0.00 N ATOM 859 CA ASP A 53 -0.455 -11.078 -8.507 1.00 0.00 C ATOM 860 C ASP A 53 0.012 -12.507 -8.211 1.00 0.00 C ATOM 861 O ASP A 53 -0.326 -13.438 -8.948 1.00 0.00 O ATOM 862 CB ASP A 53 0.630 -10.328 -9.304 1.00 0.00 C ATOM 863 CG ASP A 53 0.134 -8.942 -9.766 1.00 0.00 C ATOM 864 OD1 ASP A 53 -1.041 -8.814 -10.087 1.00 0.00 O ATOM 865 OD2 ASP A 53 0.946 -8.029 -9.812 1.00 0.00 O ATOM 0 H ASP A 53 -0.174 -9.522 -7.128 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.370 -11.140 -9.096 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.520 -10.210 -8.687 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.920 -10.920 -10.172 1.00 0.00 H new ATOM 870 N ALA A 54 0.802 -12.669 -7.146 1.00 0.00 N ATOM 871 CA ALA A 54 1.333 -13.986 -6.772 1.00 0.00 C ATOM 872 C ALA A 54 0.274 -14.865 -6.095 1.00 0.00 C ATOM 873 O ALA A 54 0.086 -16.023 -6.478 1.00 0.00 O ATOM 874 CB ALA A 54 2.527 -13.808 -5.829 1.00 0.00 C ATOM 0 H ALA A 54 1.088 -11.909 -6.529 1.00 0.00 H new ATOM 0 HA ALA A 54 1.644 -14.488 -7.688 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.921 -14.786 -5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.305 -13.233 -6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.206 -13.278 -4.932 1.00 0.00 H new ATOM 880 N GLN A 55 -0.391 -14.315 -5.077 1.00 0.00 N ATOM 881 CA GLN A 55 -1.416 -15.059 -4.326 1.00 0.00 C ATOM 882 C GLN A 55 -2.635 -15.387 -5.190 1.00 0.00 C ATOM 883 O GLN A 55 -3.336 -16.367 -4.924 1.00 0.00 O ATOM 884 CB GLN A 55 -1.868 -14.257 -3.094 1.00 0.00 C ATOM 885 CG GLN A 55 -0.704 -14.079 -2.111 1.00 0.00 C ATOM 886 CD GLN A 55 -1.050 -12.975 -1.121 1.00 0.00 C ATOM 887 OE1 GLN A 55 -1.019 -13.185 0.091 1.00 0.00 O ATOM 888 NE2 GLN A 55 -1.387 -11.801 -1.579 1.00 0.00 N ATOM 0 H GLN A 55 -0.242 -13.360 -4.751 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.960 -15.997 -4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.241 -13.281 -3.405 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.693 -14.771 -2.601 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.513 -15.012 -1.581 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.209 -13.827 -2.651 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.411 -11.634 -2.585 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.627 -11.050 -0.931 1.00 0.00 H new ATOM 897 N ALA A 56 -2.899 -14.550 -6.200 1.00 0.00 N ATOM 898 CA ALA A 56 -4.058 -14.748 -7.078 1.00 0.00 C ATOM 899 C ALA A 56 -4.044 -16.140 -7.730 1.00 0.00 C ATOM 900 O ALA A 56 -2.979 -16.669 -8.059 1.00 0.00 O ATOM 901 CB ALA A 56 -4.082 -13.669 -8.169 1.00 0.00 C ATOM 0 H ALA A 56 -2.330 -13.735 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.955 -14.671 -6.463 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.946 -13.824 -8.816 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.148 -12.685 -7.706 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.169 -13.731 -8.762 1.00 0.00 H new ATOM 907 N PRO A 57 -5.205 -16.737 -7.925 1.00 0.00 N ATOM 908 CA PRO A 57 -5.321 -18.089 -8.548 1.00 0.00 C ATOM 909 C PRO A 57 -4.768 -18.113 -9.971 1.00 0.00 C ATOM 910 O PRO A 57 -4.509 -17.064 -10.569 1.00 0.00 O ATOM 911 CB PRO A 57 -6.829 -18.395 -8.528 1.00 0.00 C ATOM 912 CG PRO A 57 -7.507 -17.078 -8.338 1.00 0.00 C ATOM 913 CD PRO A 57 -6.530 -16.188 -7.582 1.00 0.00 C ATOM 0 HA PRO A 57 -4.738 -18.834 -8.007 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.145 -18.867 -9.458 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.078 -19.083 -7.720 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.769 -16.636 -9.299 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.435 -17.197 -7.778 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.621 -15.146 -7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.710 -16.222 -6.507 1.00 0.00 H new ATOM 921 N LYS A 58 -4.606 -19.326 -10.500 1.00 0.00 N ATOM 922 CA LYS A 58 -4.100 -19.525 -11.852 1.00 0.00 C ATOM 923 C LYS A 58 -2.706 -18.875 -12.017 1.00 0.00 C ATOM 924 O LYS A 58 -1.768 -19.399 -11.435 1.00 0.00 O ATOM 925 CB LYS A 58 -5.115 -18.960 -12.863 1.00 0.00 C ATOM 926 CG LYS A 58 -4.806 -19.515 -14.256 1.00 0.00 C ATOM 927 CD LYS A 58 -5.627 -18.766 -15.322 1.00 0.00 C ATOM 928 CE LYS A 58 -5.178 -17.295 -15.419 1.00 0.00 C ATOM 929 NZ LYS A 58 -3.685 -17.209 -15.416 1.00 0.00 N ATOM 930 OXT LYS A 58 -2.590 -17.870 -12.715 1.00 0.00 O ATOM 0 H LYS A 58 -4.821 -20.191 -10.004 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.979 -20.591 -12.042 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.129 -19.231 -12.568 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.067 -17.871 -12.874 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.742 -19.413 -14.468 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.037 -20.580 -14.291 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.507 -19.253 -16.290 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.687 -18.812 -15.071 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.573 -16.846 -16.330 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.584 -16.727 -14.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.390 -16.275 -15.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.331 -17.344 -14.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.293 -17.948 -16.034 1.00 0.00 H new