USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=10 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 40 GLN : amide:sc= 0.768 K(o=1.7,f=-1.5) USER MOD Set 1.2: A 43 ASN : amide:sc= 0.91 K(o=1.7,f=-0.92) USER MOD Set 2.1: A 26 GLN : amide:sc= -3.59! K(o=-5.4!,f=-0.13) USER MOD Set 2.2: A 55 GLN : amide:sc= -1.85! K(o=-5.4!,f=-0.13) USER MOD Set 3.1: A 21 ASN : amide:sc= -1.54 K(o=-4,f=-8.1!) USER MOD Set 3.2: A 52 ASN : amide:sc= -2.47 K(o=-4,f=-1.7) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -139:sc= 0 (180deg=-0.719) USER MOD Single : A 11 ASN : amide:sc= -0.0135 K(o=-0.013,f=-1.1) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.428 K(o=0.43,f=-3.1!) USER MOD Single : A 24 ASN : amide:sc=-0.00719 X(o=-0.0072,f=-0.0072) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 1.54 (180deg=1.28) USER MOD Single : A 33 SER OG : rot 68:sc= 1.33 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0184 USER MOD Single : A 49 LYS NZ :NH3+ -113:sc= 0.977 (180deg=-0.0339) USER MOD Single : A 50 LYS NZ :NH3+ 137:sc= 0.621 (180deg=0.374) USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= -0.103 (180deg=-0.497) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 1.398 -10.589 -10.042 1.00 0.00 N ATOM 100 CA LYS A 7 1.081 -11.736 -9.187 1.00 0.00 C ATOM 101 C LYS A 7 1.542 -11.474 -7.750 1.00 0.00 C ATOM 102 O LYS A 7 0.783 -11.666 -6.795 1.00 0.00 O ATOM 103 CB LYS A 7 1.776 -12.994 -9.736 1.00 0.00 C ATOM 104 CG LYS A 7 1.312 -14.250 -8.975 1.00 0.00 C ATOM 105 CD LYS A 7 -0.077 -14.687 -9.471 1.00 0.00 C ATOM 106 CE LYS A 7 -0.480 -16.008 -8.800 1.00 0.00 C ATOM 107 NZ LYS A 7 -1.664 -16.583 -9.503 1.00 0.00 N ATOM 0 HA LYS A 7 0.002 -11.888 -9.185 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.554 -13.104 -10.798 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.857 -12.887 -9.645 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.029 -15.058 -9.120 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.276 -14.044 -7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.813 -13.915 -9.245 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.064 -14.808 -10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.352 -16.712 -8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.715 -15.838 -7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.937 -17.478 -9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.457 -15.913 -9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.424 -16.760 -10.499 1.00 0.00 H new ATOM 121 N GLU A 8 2.797 -11.038 -7.619 1.00 0.00 N ATOM 122 CA GLU A 8 3.393 -10.748 -6.311 1.00 0.00 C ATOM 123 C GLU A 8 2.623 -9.643 -5.583 1.00 0.00 C ATOM 124 O GLU A 8 2.573 -9.624 -4.350 1.00 0.00 O ATOM 125 CB GLU A 8 4.857 -10.319 -6.503 1.00 0.00 C ATOM 126 CG GLU A 8 5.560 -10.195 -5.141 1.00 0.00 C ATOM 127 CD GLU A 8 6.999 -9.707 -5.336 1.00 0.00 C ATOM 128 OE1 GLU A 8 7.784 -10.451 -5.904 1.00 0.00 O ATOM 129 OE2 GLU A 8 7.295 -8.601 -4.913 1.00 0.00 O ATOM 0 H GLU A 8 3.424 -10.877 -8.407 1.00 0.00 H new ATOM 0 HA GLU A 8 3.345 -11.651 -5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.378 -11.048 -7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.898 -9.365 -7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.015 -9.499 -4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.560 -11.160 -4.633 1.00 0.00 H new ATOM 136 N MET A 9 2.037 -8.723 -6.357 1.00 0.00 N ATOM 137 CA MET A 9 1.279 -7.596 -5.795 1.00 0.00 C ATOM 138 C MET A 9 0.175 -8.071 -4.851 1.00 0.00 C ATOM 139 O MET A 9 -0.170 -7.366 -3.903 1.00 0.00 O ATOM 140 CB MET A 9 0.663 -6.758 -6.923 1.00 0.00 C ATOM 141 CG MET A 9 1.776 -6.107 -7.751 1.00 0.00 C ATOM 142 SD MET A 9 1.044 -5.111 -9.073 1.00 0.00 S ATOM 143 CE MET A 9 2.596 -4.654 -9.881 1.00 0.00 C ATOM 0 H MET A 9 2.072 -8.736 -7.376 1.00 0.00 H new ATOM 0 HA MET A 9 1.977 -6.986 -5.221 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.044 -7.389 -7.561 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.012 -5.991 -6.505 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.399 -5.481 -7.113 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.424 -6.874 -8.176 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.555 -3.607 -10.183 1.00 0.00 H new ATOM 0 HE2 MET A 9 3.424 -4.799 -9.187 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.746 -5.280 -10.761 1.00 0.00 H new ATOM 153 N ARG A 10 -0.375 -9.267 -5.106 1.00 0.00 N ATOM 154 CA ARG A 10 -1.445 -9.827 -4.258 1.00 0.00 C ATOM 155 C ARG A 10 -0.996 -9.909 -2.790 1.00 0.00 C ATOM 156 O ARG A 10 -1.792 -9.695 -1.871 1.00 0.00 O ATOM 157 CB ARG A 10 -1.835 -11.230 -4.756 1.00 0.00 C ATOM 158 CG ARG A 10 -2.458 -11.137 -6.159 1.00 0.00 C ATOM 159 CD ARG A 10 -2.904 -12.529 -6.624 1.00 0.00 C ATOM 160 NE ARG A 10 -4.036 -12.994 -5.819 1.00 0.00 N ATOM 161 CZ ARG A 10 -4.602 -14.189 -6.013 1.00 0.00 C ATOM 162 NH1 ARG A 10 -4.158 -14.995 -6.941 1.00 0.00 N ATOM 163 NH2 ARG A 10 -5.607 -14.554 -5.271 1.00 0.00 N ATOM 0 H ARG A 10 -0.101 -9.864 -5.886 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.309 -9.165 -4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.955 -11.873 -4.782 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.543 -11.686 -4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.311 -10.458 -6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.734 -10.724 -6.861 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.186 -12.495 -7.676 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.075 -13.232 -6.539 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.404 -12.386 -5.087 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.371 -14.714 -7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.598 -15.905 -7.080 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.959 -13.929 -4.546 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.043 -15.465 -5.415 1.00 0.00 H new ATOM 177 N ASN A 11 0.289 -10.203 -2.591 1.00 0.00 N ATOM 178 CA ASN A 11 0.859 -10.297 -1.249 1.00 0.00 C ATOM 179 C ASN A 11 0.767 -8.955 -0.513 1.00 0.00 C ATOM 180 O ASN A 11 0.579 -8.926 0.706 1.00 0.00 O ATOM 181 CB ASN A 11 2.329 -10.738 -1.336 1.00 0.00 C ATOM 182 CG ASN A 11 2.883 -11.073 0.053 1.00 0.00 C ATOM 183 OD1 ASN A 11 2.138 -11.466 0.953 1.00 0.00 O ATOM 184 ND2 ASN A 11 4.161 -10.943 0.279 1.00 0.00 N ATOM 0 H ASN A 11 0.954 -10.380 -3.343 1.00 0.00 H new ATOM 0 HA ASN A 11 0.286 -11.036 -0.689 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.414 -11.609 -1.985 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.925 -9.945 -1.788 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.542 -11.166 1.199 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.780 -10.618 -0.464 1.00 0.00 H new ATOM 191 N ALA A 12 0.923 -7.849 -1.262 1.00 0.00 N ATOM 192 CA ALA A 12 0.881 -6.499 -0.678 1.00 0.00 C ATOM 193 C ALA A 12 0.055 -5.541 -1.548 1.00 0.00 C ATOM 194 O ALA A 12 0.557 -5.008 -2.545 1.00 0.00 O ATOM 195 CB ALA A 12 2.313 -5.957 -0.541 1.00 0.00 C ATOM 0 H ALA A 12 1.079 -7.864 -2.270 1.00 0.00 H new ATOM 0 HA ALA A 12 0.408 -6.565 0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.284 -4.957 -0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.891 -6.616 0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.781 -5.913 -1.524 1.00 0.00 H new ATOM 201 N TYR A 13 -1.209 -5.315 -1.159 1.00 0.00 N ATOM 202 CA TYR A 13 -2.086 -4.409 -1.906 1.00 0.00 C ATOM 203 C TYR A 13 -3.324 -4.034 -1.075 1.00 0.00 C ATOM 204 O TYR A 13 -3.361 -2.961 -0.464 1.00 0.00 O ATOM 205 CB TYR A 13 -2.501 -5.058 -3.241 1.00 0.00 C ATOM 206 CG TYR A 13 -3.203 -4.039 -4.118 1.00 0.00 C ATOM 207 CD1 TYR A 13 -2.450 -3.202 -4.956 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.601 -3.932 -4.100 1.00 0.00 C ATOM 209 CE1 TYR A 13 -3.094 -2.264 -5.770 1.00 0.00 C ATOM 210 CE2 TYR A 13 -5.243 -2.992 -4.916 1.00 0.00 C ATOM 211 CZ TYR A 13 -4.489 -2.158 -5.751 1.00 0.00 C ATOM 212 OH TYR A 13 -5.122 -1.233 -6.556 1.00 0.00 O ATOM 0 H TYR A 13 -1.641 -5.743 -0.340 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.537 -3.492 -2.118 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.622 -5.447 -3.754 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.161 -5.905 -3.053 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.373 -3.282 -4.972 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.183 -4.575 -3.456 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.513 -1.621 -6.414 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.320 -2.910 -4.901 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.091 -1.291 -6.422 1.00 0.00 H new ATOM 222 N TRP A 14 -4.332 -4.918 -1.063 1.00 0.00 N ATOM 223 CA TRP A 14 -5.573 -4.671 -0.318 1.00 0.00 C ATOM 224 C TRP A 14 -5.300 -4.446 1.171 1.00 0.00 C ATOM 225 O TRP A 14 -6.034 -3.705 1.833 1.00 0.00 O ATOM 226 CB TRP A 14 -6.538 -5.857 -0.476 1.00 0.00 C ATOM 227 CG TRP A 14 -6.965 -5.993 -1.908 1.00 0.00 C ATOM 228 CD1 TRP A 14 -6.510 -6.934 -2.771 1.00 0.00 C ATOM 229 CD2 TRP A 14 -7.924 -5.186 -2.652 1.00 0.00 C ATOM 230 NE1 TRP A 14 -7.127 -6.752 -3.995 1.00 0.00 N ATOM 231 CE2 TRP A 14 -8.007 -5.688 -3.973 1.00 0.00 C ATOM 232 CE3 TRP A 14 -8.723 -4.077 -2.313 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -8.851 -5.112 -4.923 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -9.573 -3.495 -3.268 1.00 0.00 C ATOM 235 CH2 TRP A 14 -9.636 -4.011 -4.570 1.00 0.00 C ATOM 0 H TRP A 14 -4.312 -5.808 -1.560 1.00 0.00 H new ATOM 0 HA TRP A 14 -6.024 -3.768 -0.731 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -6.053 -6.776 -0.145 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.412 -5.711 0.159 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -5.785 -7.700 -2.540 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -6.953 -7.333 -4.815 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -8.682 -3.672 -1.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.897 -5.514 -5.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -10.182 -2.645 -2.998 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -10.291 -3.558 -5.300 1.00 0.00 H new ATOM 246 N GLU A 15 -4.253 -5.099 1.692 1.00 0.00 N ATOM 247 CA GLU A 15 -3.899 -4.975 3.110 1.00 0.00 C ATOM 248 C GLU A 15 -3.703 -3.508 3.502 1.00 0.00 C ATOM 249 O GLU A 15 -4.078 -3.106 4.601 1.00 0.00 O ATOM 250 CB GLU A 15 -2.616 -5.770 3.409 1.00 0.00 C ATOM 251 CG GLU A 15 -2.347 -5.784 4.932 1.00 0.00 C ATOM 252 CD GLU A 15 -1.039 -6.519 5.284 1.00 0.00 C ATOM 253 OE1 GLU A 15 -0.519 -7.247 4.446 1.00 0.00 O ATOM 254 OE2 GLU A 15 -0.574 -6.342 6.400 1.00 0.00 O ATOM 0 H GLU A 15 -3.641 -5.714 1.156 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.721 -5.382 3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.716 -6.791 3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.771 -5.323 2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.297 -4.759 5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.181 -6.265 5.442 1.00 0.00 H new ATOM 261 N ILE A 16 -3.134 -2.713 2.593 1.00 0.00 N ATOM 262 CA ILE A 16 -2.916 -1.287 2.863 1.00 0.00 C ATOM 263 C ILE A 16 -4.258 -0.570 3.027 1.00 0.00 C ATOM 264 O ILE A 16 -4.414 0.282 3.905 1.00 0.00 O ATOM 265 CB ILE A 16 -2.110 -0.648 1.710 1.00 0.00 C ATOM 266 CG1 ILE A 16 -0.727 -1.327 1.608 1.00 0.00 C ATOM 267 CG2 ILE A 16 -1.932 0.863 1.960 1.00 0.00 C ATOM 268 CD1 ILE A 16 0.003 -0.850 0.346 1.00 0.00 C ATOM 0 H ILE A 16 -2.819 -3.025 1.675 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.349 -1.186 3.789 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.653 -0.789 0.775 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.133 -1.094 2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.846 -2.410 1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.363 1.303 1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.910 1.340 2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.397 1.016 2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.977 -1.335 0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.587 -1.106 -0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.138 0.231 0.390 1.00 0.00 H new ATOM 280 N ALA A 17 -5.218 -0.925 2.171 1.00 0.00 N ATOM 281 CA ALA A 17 -6.549 -0.319 2.215 1.00 0.00 C ATOM 282 C ALA A 17 -7.301 -0.733 3.486 1.00 0.00 C ATOM 283 O ALA A 17 -8.206 -0.022 3.935 1.00 0.00 O ATOM 284 CB ALA A 17 -7.354 -0.742 0.981 1.00 0.00 C ATOM 0 H ALA A 17 -5.099 -1.627 1.441 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.430 0.764 2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.344 -0.288 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.838 -0.412 0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.453 -1.827 0.966 1.00 0.00 H new ATOM 290 N LEU A 18 -6.935 -1.899 4.038 1.00 0.00 N ATOM 291 CA LEU A 18 -7.589 -2.431 5.242 1.00 0.00 C ATOM 292 C LEU A 18 -7.496 -1.457 6.423 1.00 0.00 C ATOM 293 O LEU A 18 -8.459 -1.319 7.183 1.00 0.00 O ATOM 294 CB LEU A 18 -6.954 -3.778 5.630 1.00 0.00 C ATOM 295 CG LEU A 18 -7.765 -4.458 6.752 1.00 0.00 C ATOM 296 CD1 LEU A 18 -9.125 -4.931 6.212 1.00 0.00 C ATOM 297 CD2 LEU A 18 -6.981 -5.669 7.285 1.00 0.00 C ATOM 0 H LEU A 18 -6.190 -2.491 3.670 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.644 -2.571 5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.912 -4.431 4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.927 -3.620 5.960 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.931 -3.740 7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.688 -5.409 7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.685 -4.075 5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.967 -5.645 5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.552 -6.152 8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.813 -6.379 6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.021 -5.336 7.680 1.00 0.00 H new ATOM 309 N LEU A 19 -6.344 -0.787 6.578 1.00 0.00 N ATOM 310 CA LEU A 19 -6.168 0.165 7.683 1.00 0.00 C ATOM 311 C LEU A 19 -7.164 1.327 7.522 1.00 0.00 C ATOM 312 O LEU A 19 -7.154 2.000 6.491 1.00 0.00 O ATOM 313 CB LEU A 19 -4.732 0.719 7.689 1.00 0.00 C ATOM 314 CG LEU A 19 -3.670 -0.373 8.016 1.00 0.00 C ATOM 315 CD1 LEU A 19 -4.149 -1.335 9.112 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.327 -1.183 6.765 1.00 0.00 C ATOM 0 H LEU A 19 -5.535 -0.884 5.965 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.351 -0.351 8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.511 1.156 6.715 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.659 1.522 8.422 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.785 0.151 8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.376 -2.079 9.306 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.351 -0.775 10.025 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.060 -1.836 8.784 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.584 -1.940 7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.227 -1.668 6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.925 -0.518 6.000 1.00 0.00 H new ATOM 328 N PRO A 20 -8.036 1.551 8.500 1.00 0.00 N ATOM 329 CA PRO A 20 -9.086 2.623 8.447 1.00 0.00 C ATOM 330 C PRO A 20 -8.655 4.007 8.959 1.00 0.00 C ATOM 331 O PRO A 20 -9.427 4.963 8.832 1.00 0.00 O ATOM 332 CB PRO A 20 -10.162 2.043 9.362 1.00 0.00 C ATOM 333 CG PRO A 20 -9.386 1.373 10.446 1.00 0.00 C ATOM 334 CD PRO A 20 -8.129 0.806 9.779 1.00 0.00 C ATOM 0 HA PRO A 20 -9.379 2.829 7.417 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.812 2.823 9.759 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.800 1.336 8.831 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.124 2.081 11.233 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.971 0.580 10.912 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.244 0.961 10.397 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.216 -0.267 9.611 1.00 0.00 H new ATOM 342 N ASN A 21 -7.466 4.118 9.566 1.00 0.00 N ATOM 343 CA ASN A 21 -7.017 5.401 10.122 1.00 0.00 C ATOM 344 C ASN A 21 -6.075 6.153 9.183 1.00 0.00 C ATOM 345 O ASN A 21 -5.681 7.283 9.489 1.00 0.00 O ATOM 346 CB ASN A 21 -6.344 5.172 11.482 1.00 0.00 C ATOM 347 CG ASN A 21 -5.185 4.187 11.362 1.00 0.00 C ATOM 348 OD1 ASN A 21 -4.780 3.815 10.257 1.00 0.00 O ATOM 349 ND2 ASN A 21 -4.628 3.731 12.447 1.00 0.00 N ATOM 0 H ASN A 21 -6.807 3.348 9.684 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.901 6.027 10.248 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.980 6.121 11.875 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.076 4.792 12.194 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.857 3.066 12.384 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.963 4.039 13.360 1.00 0.00 H new ATOM 356 N LEU A 22 -5.732 5.554 8.035 1.00 0.00 N ATOM 357 CA LEU A 22 -4.858 6.244 7.086 1.00 0.00 C ATOM 358 C LEU A 22 -5.645 7.343 6.397 1.00 0.00 C ATOM 359 O LEU A 22 -6.748 7.099 5.896 1.00 0.00 O ATOM 360 CB LEU A 22 -4.302 5.303 6.003 1.00 0.00 C ATOM 361 CG LEU A 22 -3.454 4.182 6.611 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.323 3.039 5.594 1.00 0.00 C ATOM 363 CD2 LEU A 22 -2.053 4.714 6.926 1.00 0.00 C ATOM 0 H LEU A 22 -6.036 4.623 7.749 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.017 6.644 7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.127 4.870 5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.699 5.875 5.298 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.931 3.824 7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.720 2.238 6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.313 2.656 5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.843 3.411 4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.450 3.916 7.359 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.583 5.067 6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.128 5.538 7.636 1.00 0.00 H new ATOM 375 N ASN A 23 -5.073 8.546 6.370 1.00 0.00 N ATOM 376 CA ASN A 23 -5.732 9.690 5.721 1.00 0.00 C ATOM 377 C ASN A 23 -6.137 9.321 4.287 1.00 0.00 C ATOM 378 O ASN A 23 -5.450 8.536 3.627 1.00 0.00 O ATOM 379 CB ASN A 23 -4.800 10.907 5.696 1.00 0.00 C ATOM 380 CG ASN A 23 -5.552 12.128 5.171 1.00 0.00 C ATOM 381 OD1 ASN A 23 -5.460 12.456 3.988 1.00 0.00 O ATOM 382 ND2 ASN A 23 -6.296 12.826 5.986 1.00 0.00 N ATOM 0 H ASN A 23 -4.165 8.758 6.784 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.624 9.942 6.294 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.421 11.106 6.698 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.936 10.701 5.064 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.801 13.643 5.642 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.372 12.554 6.966 1.00 0.00 H new ATOM 389 N ASN A 24 -7.270 9.872 3.824 1.00 0.00 N ATOM 390 CA ASN A 24 -7.793 9.580 2.473 1.00 0.00 C ATOM 391 C ASN A 24 -6.731 9.783 1.384 1.00 0.00 C ATOM 392 O ASN A 24 -6.649 8.994 0.436 1.00 0.00 O ATOM 393 CB ASN A 24 -9.001 10.482 2.177 1.00 0.00 C ATOM 394 CG ASN A 24 -10.136 10.195 3.161 1.00 0.00 C ATOM 395 OD1 ASN A 24 -10.597 11.096 3.862 1.00 0.00 O ATOM 396 ND2 ASN A 24 -10.620 8.986 3.252 1.00 0.00 N ATOM 0 H ASN A 24 -7.843 10.522 4.362 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.090 8.531 2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.707 11.529 2.247 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.346 10.316 1.156 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.380 8.788 3.904 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.239 8.239 2.672 1.00 0.00 H new ATOM 403 N GLN A 25 -5.920 10.832 1.534 1.00 0.00 N ATOM 404 CA GLN A 25 -4.862 11.120 0.566 1.00 0.00 C ATOM 405 C GLN A 25 -3.776 10.043 0.611 1.00 0.00 C ATOM 406 O GLN A 25 -3.271 9.619 -0.430 1.00 0.00 O ATOM 407 CB GLN A 25 -4.236 12.494 0.858 1.00 0.00 C ATOM 408 CG GLN A 25 -5.275 13.606 0.626 1.00 0.00 C ATOM 409 CD GLN A 25 -4.685 14.982 0.955 1.00 0.00 C ATOM 410 OE1 GLN A 25 -3.783 15.100 1.787 1.00 0.00 O ATOM 411 NE2 GLN A 25 -5.149 16.039 0.347 1.00 0.00 N ATOM 0 H GLN A 25 -5.975 11.491 2.310 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.306 11.128 -0.429 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.878 12.528 1.887 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.371 12.653 0.214 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.608 13.587 -0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.153 13.424 1.246 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.895 15.945 -0.342 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.765 16.960 0.561 1.00 0.00 H new ATOM 420 N GLN A 26 -3.416 9.619 1.827 1.00 0.00 N ATOM 421 CA GLN A 26 -2.374 8.604 2.017 1.00 0.00 C ATOM 422 C GLN A 26 -2.773 7.253 1.417 1.00 0.00 C ATOM 423 O GLN A 26 -1.944 6.583 0.800 1.00 0.00 O ATOM 424 CB GLN A 26 -2.073 8.433 3.513 1.00 0.00 C ATOM 425 CG GLN A 26 -1.441 9.721 4.068 1.00 0.00 C ATOM 426 CD GLN A 26 -1.187 9.584 5.568 1.00 0.00 C ATOM 427 OE1 GLN A 26 -0.054 9.732 6.025 1.00 0.00 O ATOM 428 NE2 GLN A 26 -2.181 9.307 6.365 1.00 0.00 N ATOM 0 H GLN A 26 -3.830 9.962 2.694 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.482 8.951 1.496 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.991 8.205 4.054 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.397 7.591 3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.504 9.926 3.551 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.101 10.568 3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.120 9.184 5.986 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.020 9.213 7.368 1.00 0.00 H new ATOM 437 N LYS A 27 -4.039 6.852 1.598 1.00 0.00 N ATOM 438 CA LYS A 27 -4.513 5.564 1.062 1.00 0.00 C ATOM 439 C LYS A 27 -4.342 5.514 -0.457 1.00 0.00 C ATOM 440 O LYS A 27 -3.678 4.619 -0.991 1.00 0.00 O ATOM 441 CB LYS A 27 -5.993 5.354 1.406 1.00 0.00 C ATOM 442 CG LYS A 27 -6.164 5.170 2.920 1.00 0.00 C ATOM 443 CD LYS A 27 -7.655 4.991 3.252 1.00 0.00 C ATOM 444 CE LYS A 27 -8.120 3.568 2.887 1.00 0.00 C ATOM 445 NZ LYS A 27 -8.459 2.814 4.132 1.00 0.00 N ATOM 0 H LYS A 27 -4.745 7.389 2.102 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.917 4.773 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.577 6.210 1.068 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.376 4.479 0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.599 4.301 3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.764 6.035 3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.822 5.174 4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.247 5.725 2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.989 3.616 2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.335 3.048 2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.458 1.794 3.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.754 3.023 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.402 3.100 4.465 1.00 0.00 H new ATOM 459 N ARG A 28 -4.942 6.493 -1.135 1.00 0.00 N ATOM 460 CA ARG A 28 -4.864 6.586 -2.592 1.00 0.00 C ATOM 461 C ARG A 28 -3.412 6.770 -3.051 1.00 0.00 C ATOM 462 O ARG A 28 -3.010 6.232 -4.086 1.00 0.00 O ATOM 463 CB ARG A 28 -5.719 7.767 -3.077 1.00 0.00 C ATOM 464 CG ARG A 28 -5.795 7.772 -4.613 1.00 0.00 C ATOM 465 CD ARG A 28 -6.639 8.962 -5.088 1.00 0.00 C ATOM 466 NE ARG A 28 -6.809 8.913 -6.543 1.00 0.00 N ATOM 467 CZ ARG A 28 -7.503 9.843 -7.207 1.00 0.00 C ATOM 468 NH1 ARG A 28 -8.060 10.840 -6.573 1.00 0.00 N ATOM 469 NH2 ARG A 28 -7.626 9.754 -8.500 1.00 0.00 N ATOM 0 H ARG A 28 -5.489 7.234 -0.696 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.243 5.658 -3.021 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.722 7.696 -2.656 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.291 8.705 -2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.792 7.834 -5.036 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.233 6.839 -4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.613 8.944 -4.600 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.156 9.897 -4.802 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.385 8.146 -7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.968 10.915 -5.560 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.587 11.543 -7.091 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.194 8.978 -9.001 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.154 10.461 -9.012 1.00 0.00 H new ATOM 483 N ALA A 29 -2.642 7.548 -2.280 1.00 0.00 N ATOM 484 CA ALA A 29 -1.244 7.823 -2.618 1.00 0.00 C ATOM 485 C ALA A 29 -0.399 6.547 -2.662 1.00 0.00 C ATOM 486 O ALA A 29 0.328 6.327 -3.632 1.00 0.00 O ATOM 487 CB ALA A 29 -0.644 8.801 -1.601 1.00 0.00 C ATOM 0 H ALA A 29 -2.964 7.996 -1.422 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.231 8.264 -3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.396 9.001 -1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.208 9.734 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.693 8.364 -0.604 1.00 0.00 H new ATOM 493 N PHE A 30 -0.481 5.719 -1.610 1.00 0.00 N ATOM 494 CA PHE A 30 0.309 4.480 -1.557 1.00 0.00 C ATOM 495 C PHE A 30 -0.011 3.562 -2.737 1.00 0.00 C ATOM 496 O PHE A 30 0.894 3.141 -3.464 1.00 0.00 O ATOM 497 CB PHE A 30 0.043 3.734 -0.242 1.00 0.00 C ATOM 498 CG PHE A 30 0.999 4.227 0.831 1.00 0.00 C ATOM 499 CD1 PHE A 30 1.005 5.577 1.210 1.00 0.00 C ATOM 500 CD2 PHE A 30 1.880 3.329 1.447 1.00 0.00 C ATOM 501 CE1 PHE A 30 1.889 6.025 2.200 1.00 0.00 C ATOM 502 CE2 PHE A 30 2.762 3.779 2.436 1.00 0.00 C ATOM 503 CZ PHE A 30 2.767 5.124 2.812 1.00 0.00 C ATOM 0 H PHE A 30 -1.076 5.880 -0.797 1.00 0.00 H new ATOM 0 HA PHE A 30 1.361 4.759 -1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.988 3.893 0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.169 2.661 -0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.327 6.273 0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.879 2.288 1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.893 7.065 2.491 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.440 3.085 2.909 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.449 5.469 3.575 1.00 0.00 H new ATOM 513 N ILE A 31 -1.301 3.256 -2.921 1.00 0.00 N ATOM 514 CA ILE A 31 -1.740 2.383 -4.019 1.00 0.00 C ATOM 515 C ILE A 31 -1.301 2.957 -5.378 1.00 0.00 C ATOM 516 O ILE A 31 -0.794 2.221 -6.231 1.00 0.00 O ATOM 517 CB ILE A 31 -3.277 2.201 -3.970 1.00 0.00 C ATOM 518 CG1 ILE A 31 -3.665 1.476 -2.657 1.00 0.00 C ATOM 519 CG2 ILE A 31 -3.750 1.370 -5.179 1.00 0.00 C ATOM 520 CD1 ILE A 31 -5.190 1.338 -2.547 1.00 0.00 C ATOM 0 H ILE A 31 -2.057 3.598 -2.327 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.270 1.407 -3.899 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.756 3.180 -4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.202 0.490 -2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.282 2.032 -1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.832 1.248 -5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.480 1.884 -6.102 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.273 0.390 -5.156 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.443 0.826 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.646 2.328 -2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.565 0.762 -3.393 1.00 0.00 H new ATOM 532 N ARG A 32 -1.482 4.269 -5.560 1.00 0.00 N ATOM 533 CA ARG A 32 -1.085 4.930 -6.807 1.00 0.00 C ATOM 534 C ARG A 32 0.434 4.837 -7.000 1.00 0.00 C ATOM 535 O ARG A 32 0.915 4.556 -8.105 1.00 0.00 O ATOM 536 CB ARG A 32 -1.523 6.404 -6.779 1.00 0.00 C ATOM 537 CG ARG A 32 -1.259 7.060 -8.145 1.00 0.00 C ATOM 538 CD ARG A 32 -1.676 8.536 -8.101 1.00 0.00 C ATOM 539 NE ARG A 32 -1.548 9.140 -9.430 1.00 0.00 N ATOM 540 CZ ARG A 32 -1.855 10.420 -9.661 1.00 0.00 C ATOM 541 NH1 ARG A 32 -2.280 11.188 -8.694 1.00 0.00 N ATOM 542 NH2 ARG A 32 -1.728 10.908 -10.861 1.00 0.00 N ATOM 0 H ARG A 32 -1.897 4.890 -4.866 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.573 4.428 -7.642 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.583 6.472 -6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.980 6.938 -5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.202 6.978 -8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.816 6.538 -8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.706 8.620 -7.753 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.054 9.076 -7.387 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.214 8.565 -10.203 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.380 10.812 -7.751 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.511 12.164 -8.882 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.395 10.314 -11.621 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.961 11.884 -11.042 1.00 0.00 H new ATOM 556 N SER A 33 1.178 5.068 -5.910 1.00 0.00 N ATOM 557 CA SER A 33 2.642 5.007 -5.947 1.00 0.00 C ATOM 558 C SER A 33 3.119 3.613 -6.350 1.00 0.00 C ATOM 559 O SER A 33 4.143 3.476 -7.022 1.00 0.00 O ATOM 560 CB SER A 33 3.229 5.382 -4.581 1.00 0.00 C ATOM 561 OG SER A 33 2.890 6.728 -4.276 1.00 0.00 O ATOM 0 H SER A 33 0.790 5.298 -4.995 1.00 0.00 H new ATOM 0 HA SER A 33 2.989 5.723 -6.692 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.842 4.714 -3.811 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.312 5.262 -4.593 1.00 0.00 H new ATOM 0 HG SER A 33 1.925 6.795 -4.119 1.00 0.00 H new ATOM 567 N LEU A 34 2.365 2.581 -5.937 1.00 0.00 N ATOM 568 CA LEU A 34 2.714 1.191 -6.265 1.00 0.00 C ATOM 569 C LEU A 34 2.763 1.002 -7.783 1.00 0.00 C ATOM 570 O LEU A 34 3.665 0.347 -8.306 1.00 0.00 O ATOM 571 CB LEU A 34 1.681 0.221 -5.648 1.00 0.00 C ATOM 572 CG LEU A 34 2.358 -0.742 -4.642 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.637 -0.674 -3.283 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.306 -2.184 -5.187 1.00 0.00 C ATOM 0 H LEU A 34 1.517 2.682 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 34 3.697 0.972 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.899 0.789 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.198 -0.353 -6.439 1.00 0.00 H new ATOM 0 HG LEU A 34 3.398 -0.444 -4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.119 -1.354 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.687 0.343 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.594 -0.963 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.783 -2.859 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.267 -2.482 -5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.831 -2.231 -6.141 1.00 0.00 H new ATOM 586 N TYR A 35 1.796 1.603 -8.477 1.00 0.00 N ATOM 587 CA TYR A 35 1.740 1.523 -9.935 1.00 0.00 C ATOM 588 C TYR A 35 2.950 2.241 -10.536 1.00 0.00 C ATOM 589 O TYR A 35 3.585 1.741 -11.467 1.00 0.00 O ATOM 590 CB TYR A 35 0.444 2.171 -10.442 1.00 0.00 C ATOM 591 CG TYR A 35 0.313 1.960 -11.939 1.00 0.00 C ATOM 592 CD1 TYR A 35 -0.247 0.774 -12.435 1.00 0.00 C ATOM 593 CD2 TYR A 35 0.750 2.951 -12.832 1.00 0.00 C ATOM 594 CE1 TYR A 35 -0.369 0.579 -13.816 1.00 0.00 C ATOM 595 CE2 TYR A 35 0.626 2.755 -14.212 1.00 0.00 C ATOM 596 CZ TYR A 35 0.067 1.569 -14.704 1.00 0.00 C ATOM 597 OH TYR A 35 -0.055 1.377 -16.065 1.00 0.00 O ATOM 0 H TYR A 35 1.044 2.148 -8.054 1.00 0.00 H new ATOM 0 HA TYR A 35 1.757 0.476 -10.239 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.414 1.738 -9.928 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.447 3.237 -10.215 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.585 0.010 -11.751 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.182 3.866 -12.454 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.800 -0.336 -14.196 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.962 3.519 -14.898 1.00 0.00 H new ATOM 0 HH TYR A 35 0.294 2.161 -16.539 1.00 0.00 H new ATOM 607 N ASP A 36 3.244 3.425 -9.990 1.00 0.00 N ATOM 608 CA ASP A 36 4.367 4.243 -10.460 1.00 0.00 C ATOM 609 C ASP A 36 5.716 3.541 -10.241 1.00 0.00 C ATOM 610 O ASP A 36 6.591 3.596 -11.109 1.00 0.00 O ATOM 611 CB ASP A 36 4.357 5.596 -9.729 1.00 0.00 C ATOM 612 CG ASP A 36 5.331 6.584 -10.386 1.00 0.00 C ATOM 613 OD1 ASP A 36 5.200 6.822 -11.579 1.00 0.00 O ATOM 614 OD2 ASP A 36 6.185 7.102 -9.683 1.00 0.00 O ATOM 0 H ASP A 36 2.719 3.839 -9.220 1.00 0.00 H new ATOM 0 HA ASP A 36 4.246 4.397 -11.532 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.349 6.012 -9.740 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.631 5.451 -8.684 1.00 0.00 H new ATOM 619 N ASP A 37 5.878 2.892 -9.078 1.00 0.00 N ATOM 620 CA ASP A 37 7.128 2.187 -8.748 1.00 0.00 C ATOM 621 C ASP A 37 6.842 0.927 -7.908 1.00 0.00 C ATOM 622 O ASP A 37 7.003 0.936 -6.681 1.00 0.00 O ATOM 623 CB ASP A 37 8.075 3.132 -7.984 1.00 0.00 C ATOM 624 CG ASP A 37 8.787 4.070 -8.961 1.00 0.00 C ATOM 625 OD1 ASP A 37 9.841 3.695 -9.452 1.00 0.00 O ATOM 626 OD2 ASP A 37 8.269 5.145 -9.208 1.00 0.00 O ATOM 0 H ASP A 37 5.163 2.840 -8.352 1.00 0.00 H new ATOM 0 HA ASP A 37 7.605 1.875 -9.677 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.510 3.714 -7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.809 2.550 -7.427 1.00 0.00 H new ATOM 631 N PRO A 38 6.422 -0.152 -8.546 1.00 0.00 N ATOM 632 CA PRO A 38 6.112 -1.442 -7.843 1.00 0.00 C ATOM 633 C PRO A 38 7.306 -1.986 -7.053 1.00 0.00 C ATOM 634 O PRO A 38 7.142 -2.822 -6.163 1.00 0.00 O ATOM 635 CB PRO A 38 5.735 -2.406 -8.977 1.00 0.00 C ATOM 636 CG PRO A 38 5.379 -1.547 -10.145 1.00 0.00 C ATOM 637 CD PRO A 38 6.192 -0.262 -10.000 1.00 0.00 C ATOM 0 HA PRO A 38 5.321 -1.310 -7.105 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.566 -3.068 -9.219 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.896 -3.039 -8.688 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.613 -2.051 -11.083 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.311 -1.331 -10.157 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.131 -0.319 -10.550 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.649 0.601 -10.385 1.00 0.00 H new ATOM 645 N SER A 39 8.503 -1.516 -7.406 1.00 0.00 N ATOM 646 CA SER A 39 9.738 -1.960 -6.754 1.00 0.00 C ATOM 647 C SER A 39 9.714 -1.710 -5.241 1.00 0.00 C ATOM 648 O SER A 39 10.355 -2.446 -4.485 1.00 0.00 O ATOM 649 CB SER A 39 10.939 -1.236 -7.373 1.00 0.00 C ATOM 650 OG SER A 39 10.959 -1.470 -8.777 1.00 0.00 O ATOM 0 H SER A 39 8.645 -0.825 -8.143 1.00 0.00 H new ATOM 0 HA SER A 39 9.824 -3.035 -6.912 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.876 -0.167 -7.172 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.865 -1.591 -6.921 1.00 0.00 H new ATOM 0 HG SER A 39 11.725 -1.006 -9.175 1.00 0.00 H new ATOM 656 N GLN A 40 8.993 -0.666 -4.808 1.00 0.00 N ATOM 657 CA GLN A 40 8.917 -0.323 -3.387 1.00 0.00 C ATOM 658 C GLN A 40 7.735 -1.018 -2.706 1.00 0.00 C ATOM 659 O GLN A 40 7.494 -0.779 -1.525 1.00 0.00 O ATOM 660 CB GLN A 40 8.765 1.203 -3.224 1.00 0.00 C ATOM 661 CG GLN A 40 9.854 1.948 -4.013 1.00 0.00 C ATOM 662 CD GLN A 40 11.245 1.567 -3.508 1.00 0.00 C ATOM 663 OE1 GLN A 40 11.535 1.702 -2.319 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.129 1.099 -4.345 1.00 0.00 N ATOM 0 H GLN A 40 8.458 -0.050 -5.420 1.00 0.00 H new ATOM 0 HA GLN A 40 9.839 -0.662 -2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.780 1.514 -3.572 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.828 1.469 -2.169 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.769 1.710 -5.073 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.709 3.024 -3.916 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.889 0.987 -5.330 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.060 0.845 -4.014 1.00 0.00 H new ATOM 673 N SER A 41 6.997 -1.865 -3.446 1.00 0.00 N ATOM 674 CA SER A 41 5.818 -2.572 -2.898 1.00 0.00 C ATOM 675 C SER A 41 6.040 -3.060 -1.460 1.00 0.00 C ATOM 676 O SER A 41 5.194 -2.834 -0.586 1.00 0.00 O ATOM 677 CB SER A 41 5.466 -3.770 -3.788 1.00 0.00 C ATOM 678 OG SER A 41 4.330 -4.444 -3.255 1.00 0.00 O ATOM 0 H SER A 41 7.193 -2.078 -4.424 1.00 0.00 H new ATOM 0 HA SER A 41 4.997 -1.855 -2.882 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.258 -3.433 -4.803 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.313 -4.454 -3.846 1.00 0.00 H new ATOM 0 HG SER A 41 4.106 -5.208 -3.826 1.00 0.00 H new ATOM 684 N ALA A 42 7.172 -3.722 -1.223 1.00 0.00 N ATOM 685 CA ALA A 42 7.489 -4.232 0.111 1.00 0.00 C ATOM 686 C ALA A 42 7.643 -3.082 1.111 1.00 0.00 C ATOM 687 O ALA A 42 7.088 -3.127 2.216 1.00 0.00 O ATOM 688 CB ALA A 42 8.786 -5.049 0.063 1.00 0.00 C ATOM 0 H ALA A 42 7.880 -3.917 -1.931 1.00 0.00 H new ATOM 0 HA ALA A 42 6.668 -4.870 0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.016 -5.426 1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.663 -5.888 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.603 -4.415 -0.283 1.00 0.00 H new ATOM 694 N ASN A 43 8.394 -2.052 0.714 1.00 0.00 N ATOM 695 CA ASN A 43 8.616 -0.897 1.583 1.00 0.00 C ATOM 696 C ASN A 43 7.304 -0.166 1.849 1.00 0.00 C ATOM 697 O ASN A 43 7.013 0.197 2.984 1.00 0.00 O ATOM 698 CB ASN A 43 9.605 0.081 0.932 1.00 0.00 C ATOM 699 CG ASN A 43 10.963 -0.583 0.688 1.00 0.00 C ATOM 700 OD1 ASN A 43 11.291 -1.601 1.302 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.776 -0.056 -0.181 1.00 0.00 N ATOM 0 H ASN A 43 8.854 -1.995 -0.195 1.00 0.00 H new ATOM 0 HA ASN A 43 9.027 -1.261 2.525 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.197 0.439 -0.014 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.734 0.953 1.574 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.685 -0.485 -0.355 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.504 0.786 -0.689 1.00 0.00 H new ATOM 708 N LEU A 44 6.523 0.046 0.785 1.00 0.00 N ATOM 709 CA LEU A 44 5.243 0.744 0.891 1.00 0.00 C ATOM 710 C LEU A 44 4.309 0.033 1.864 1.00 0.00 C ATOM 711 O LEU A 44 3.604 0.681 2.630 1.00 0.00 O ATOM 712 CB LEU A 44 4.574 0.807 -0.477 1.00 0.00 C ATOM 713 CG LEU A 44 5.418 1.633 -1.476 1.00 0.00 C ATOM 714 CD1 LEU A 44 4.800 1.541 -2.877 1.00 0.00 C ATOM 715 CD2 LEU A 44 5.469 3.106 -1.045 1.00 0.00 C ATOM 0 H LEU A 44 6.758 -0.257 -0.160 1.00 0.00 H new ATOM 0 HA LEU A 44 5.439 1.750 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.434 -0.203 -0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.583 1.251 -0.380 1.00 0.00 H new ATOM 0 HG LEU A 44 6.430 1.229 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.398 2.124 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.779 0.499 -3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.784 1.934 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.067 3.673 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.458 3.512 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.919 3.180 -0.055 1.00 0.00 H new ATOM 727 N LEU A 45 4.310 -1.304 1.825 1.00 0.00 N ATOM 728 CA LEU A 45 3.457 -2.092 2.719 1.00 0.00 C ATOM 729 C LEU A 45 3.844 -1.821 4.175 1.00 0.00 C ATOM 730 O LEU A 45 2.986 -1.542 5.019 1.00 0.00 O ATOM 731 CB LEU A 45 3.615 -3.581 2.383 1.00 0.00 C ATOM 732 CG LEU A 45 2.827 -4.462 3.378 1.00 0.00 C ATOM 733 CD1 LEU A 45 1.322 -4.183 3.253 1.00 0.00 C ATOM 734 CD2 LEU A 45 3.099 -5.946 3.083 1.00 0.00 C ATOM 0 H LEU A 45 4.886 -1.858 1.191 1.00 0.00 H new ATOM 0 HA LEU A 45 2.414 -1.808 2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.262 -3.768 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.670 -3.853 2.408 1.00 0.00 H new ATOM 0 HG LEU A 45 3.151 -4.226 4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.776 -4.809 3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.127 -3.133 3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.993 -4.408 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.542 -6.565 3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.783 -6.179 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.165 -6.148 3.187 1.00 0.00 H new ATOM 746 N ALA A 46 5.148 -1.880 4.445 1.00 0.00 N ATOM 747 CA ALA A 46 5.657 -1.613 5.790 1.00 0.00 C ATOM 748 C ALA A 46 5.374 -0.158 6.166 1.00 0.00 C ATOM 749 O ALA A 46 4.953 0.142 7.287 1.00 0.00 O ATOM 750 CB ALA A 46 7.167 -1.872 5.834 1.00 0.00 C ATOM 0 H ALA A 46 5.866 -2.108 3.757 1.00 0.00 H new ATOM 0 HA ALA A 46 5.159 -2.273 6.500 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.541 -1.672 6.838 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.366 -2.912 5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.669 -1.217 5.122 1.00 0.00 H new ATOM 756 N GLU A 47 5.611 0.732 5.201 1.00 0.00 N ATOM 757 CA GLU A 47 5.394 2.168 5.379 1.00 0.00 C ATOM 758 C GLU A 47 3.919 2.479 5.646 1.00 0.00 C ATOM 759 O GLU A 47 3.601 3.382 6.423 1.00 0.00 O ATOM 760 CB GLU A 47 5.854 2.912 4.116 1.00 0.00 C ATOM 761 CG GLU A 47 7.392 3.002 4.076 1.00 0.00 C ATOM 762 CD GLU A 47 7.915 3.917 5.191 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.551 5.085 5.199 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.671 3.438 6.022 1.00 0.00 O ATOM 0 H GLU A 47 5.958 0.478 4.276 1.00 0.00 H new ATOM 0 HA GLU A 47 5.973 2.498 6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.490 2.394 3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.424 3.914 4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.822 2.006 4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.713 3.383 3.107 1.00 0.00 H new ATOM 771 N ALA A 48 3.028 1.733 4.993 1.00 0.00 N ATOM 772 CA ALA A 48 1.592 1.938 5.162 1.00 0.00 C ATOM 773 C ALA A 48 1.192 1.621 6.593 1.00 0.00 C ATOM 774 O ALA A 48 0.498 2.405 7.246 1.00 0.00 O ATOM 775 CB ALA A 48 0.814 1.035 4.199 1.00 0.00 C ATOM 0 H ALA A 48 3.275 0.985 4.345 1.00 0.00 H new ATOM 0 HA ALA A 48 1.356 2.979 4.943 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.256 1.196 4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.091 1.274 3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.053 -0.008 4.405 1.00 0.00 H new ATOM 781 N LYS A 49 1.650 0.467 7.076 1.00 0.00 N ATOM 782 CA LYS A 49 1.357 0.041 8.432 1.00 0.00 C ATOM 783 C LYS A 49 1.963 1.026 9.433 1.00 0.00 C ATOM 784 O LYS A 49 1.406 1.247 10.509 1.00 0.00 O ATOM 785 CB LYS A 49 1.904 -1.372 8.652 1.00 0.00 C ATOM 786 CG LYS A 49 1.121 -2.063 9.776 1.00 0.00 C ATOM 787 CD LYS A 49 1.341 -3.584 9.703 1.00 0.00 C ATOM 788 CE LYS A 49 0.000 -4.309 9.503 1.00 0.00 C ATOM 789 NZ LYS A 49 0.253 -5.723 9.096 1.00 0.00 N ATOM 0 H LYS A 49 2.225 -0.186 6.544 1.00 0.00 H new ATOM 0 HA LYS A 49 0.278 0.024 8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.824 -1.950 7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.962 -1.326 8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.447 -1.685 10.745 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.059 -1.835 9.686 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.016 -3.821 8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.818 -3.934 10.619 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.580 -4.283 10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.590 -3.800 8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.071 -5.866 8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.271 -5.925 9.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.265 -6.365 9.729 1.00 0.00 H new ATOM 803 N LYS A 50 3.103 1.626 9.057 1.00 0.00 N ATOM 804 CA LYS A 50 3.773 2.603 9.912 1.00 0.00 C ATOM 805 C LYS A 50 2.851 3.800 10.151 1.00 0.00 C ATOM 806 O LYS A 50 2.700 4.262 11.286 1.00 0.00 O ATOM 807 CB LYS A 50 5.068 3.068 9.238 1.00 0.00 C ATOM 808 CG LYS A 50 5.909 3.896 10.220 1.00 0.00 C ATOM 809 CD LYS A 50 7.262 4.237 9.578 1.00 0.00 C ATOM 810 CE LYS A 50 7.104 5.403 8.592 1.00 0.00 C ATOM 811 NZ LYS A 50 8.381 5.600 7.849 1.00 0.00 N ATOM 0 H LYS A 50 3.574 1.449 8.170 1.00 0.00 H new ATOM 0 HA LYS A 50 4.011 2.143 10.871 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.639 2.205 8.897 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.834 3.664 8.356 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.380 4.811 10.486 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.063 3.338 11.143 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.983 4.501 10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.657 3.364 9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.293 5.196 7.894 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.838 6.314 9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.175 5.763 6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.885 6.422 8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.975 4.752 7.948 1.00 0.00 H new ATOM 825 N LEU A 51 2.219 4.276 9.069 1.00 0.00 N ATOM 826 CA LEU A 51 1.282 5.401 9.153 1.00 0.00 C ATOM 827 C LEU A 51 0.094 5.015 10.034 1.00 0.00 C ATOM 828 O LEU A 51 -0.365 5.810 10.859 1.00 0.00 O ATOM 829 CB LEU A 51 0.795 5.777 7.740 1.00 0.00 C ATOM 830 CG LEU A 51 1.928 6.461 6.952 1.00 0.00 C ATOM 831 CD1 LEU A 51 1.491 6.661 5.495 1.00 0.00 C ATOM 832 CD2 LEU A 51 2.258 7.828 7.580 1.00 0.00 C ATOM 0 H LEU A 51 2.340 3.900 8.129 1.00 0.00 H new ATOM 0 HA LEU A 51 1.786 6.261 9.594 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.463 4.883 7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.064 6.444 7.809 1.00 0.00 H new ATOM 0 HG LEU A 51 2.816 5.829 6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.293 7.145 4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.270 5.693 5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.599 7.287 5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.060 8.304 7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.372 8.463 7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.576 7.687 8.613 1.00 0.00 H new ATOM 844 N ASN A 52 -0.377 3.778 9.860 1.00 0.00 N ATOM 845 CA ASN A 52 -1.494 3.257 10.648 1.00 0.00 C ATOM 846 C ASN A 52 -1.124 3.212 12.131 1.00 0.00 C ATOM 847 O ASN A 52 -1.871 3.697 12.981 1.00 0.00 O ATOM 848 CB ASN A 52 -1.849 1.846 10.148 1.00 0.00 C ATOM 849 CG ASN A 52 -2.795 1.127 11.116 1.00 0.00 C ATOM 850 OD1 ASN A 52 -2.348 0.341 11.951 1.00 0.00 O ATOM 851 ND2 ASN A 52 -4.075 1.346 11.053 1.00 0.00 N ATOM 0 H ASN A 52 -0.001 3.118 9.179 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.356 3.914 10.530 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.316 1.914 9.165 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.937 1.261 10.028 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.707 0.867 11.695 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.448 1.997 10.362 1.00 0.00 H new ATOM 858 N ASP A 53 0.032 2.617 12.421 1.00 0.00 N ATOM 859 CA ASP A 53 0.510 2.491 13.796 1.00 0.00 C ATOM 860 C ASP A 53 0.737 3.857 14.435 1.00 0.00 C ATOM 861 O ASP A 53 0.468 4.045 15.624 1.00 0.00 O ATOM 862 CB ASP A 53 1.820 1.693 13.810 1.00 0.00 C ATOM 863 CG ASP A 53 2.264 1.406 15.249 1.00 0.00 C ATOM 864 OD1 ASP A 53 1.776 0.443 15.818 1.00 0.00 O ATOM 865 OD2 ASP A 53 3.081 2.156 15.759 1.00 0.00 O ATOM 0 H ASP A 53 0.655 2.214 11.721 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.253 1.970 14.375 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.686 0.755 13.272 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.597 2.251 13.289 1.00 0.00 H new ATOM 870 N ALA A 54 1.261 4.795 13.645 1.00 0.00 N ATOM 871 CA ALA A 54 1.556 6.130 14.152 1.00 0.00 C ATOM 872 C ALA A 54 0.280 6.938 14.410 1.00 0.00 C ATOM 873 O ALA A 54 0.106 7.502 15.495 1.00 0.00 O ATOM 874 CB ALA A 54 2.446 6.879 13.155 1.00 0.00 C ATOM 0 H ALA A 54 1.487 4.654 12.660 1.00 0.00 H new ATOM 0 HA ALA A 54 2.076 6.015 15.103 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.663 7.876 13.539 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.379 6.332 13.017 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.930 6.963 12.198 1.00 0.00 H new ATOM 880 N GLN A 55 -0.601 6.999 13.405 1.00 0.00 N ATOM 881 CA GLN A 55 -1.856 7.756 13.524 1.00 0.00 C ATOM 882 C GLN A 55 -2.812 7.113 14.534 1.00 0.00 C ATOM 883 O GLN A 55 -3.645 7.804 15.126 1.00 0.00 O ATOM 884 CB GLN A 55 -2.544 7.868 12.153 1.00 0.00 C ATOM 885 CG GLN A 55 -1.684 8.713 11.204 1.00 0.00 C ATOM 886 CD GLN A 55 -2.207 8.567 9.782 1.00 0.00 C ATOM 887 OE1 GLN A 55 -2.580 9.550 9.145 1.00 0.00 O ATOM 888 NE2 GLN A 55 -2.257 7.379 9.248 1.00 0.00 N ATOM 0 H GLN A 55 -0.471 6.537 12.505 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.604 8.753 13.886 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.697 6.875 11.731 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.529 8.322 12.267 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.710 9.760 11.507 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.644 8.392 11.255 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.946 6.567 9.781 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.607 7.262 8.297 1.00 0.00 H new ATOM 897 N ALA A 56 -2.698 5.791 14.711 1.00 0.00 N ATOM 898 CA ALA A 56 -3.569 5.059 15.639 1.00 0.00 C ATOM 899 C ALA A 56 -3.480 5.638 17.060 1.00 0.00 C ATOM 900 O ALA A 56 -2.409 6.081 17.486 1.00 0.00 O ATOM 901 CB ALA A 56 -3.176 3.577 15.669 1.00 0.00 C ATOM 0 H ALA A 56 -2.015 5.209 14.227 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.595 5.162 15.286 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.827 3.042 16.360 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.280 3.153 14.670 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.141 3.482 15.998 1.00 0.00 H new ATOM 907 N PRO A 57 -4.579 5.633 17.798 1.00 0.00 N ATOM 908 CA PRO A 57 -4.620 6.162 19.198 1.00 0.00 C ATOM 909 C PRO A 57 -3.938 5.215 20.187 1.00 0.00 C ATOM 910 O PRO A 57 -3.939 3.995 19.993 1.00 0.00 O ATOM 911 CB PRO A 57 -6.118 6.285 19.492 1.00 0.00 C ATOM 912 CG PRO A 57 -6.764 5.247 18.640 1.00 0.00 C ATOM 913 CD PRO A 57 -5.902 5.120 17.383 1.00 0.00 C ATOM 0 HA PRO A 57 -4.085 7.106 19.300 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.328 6.116 20.548 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.488 7.281 19.249 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.824 4.295 19.167 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.784 5.535 18.384 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.840 4.085 17.045 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.313 5.701 16.557 1.00 0.00 H new ATOM 921 N LYS A 58 -3.365 5.791 21.246 1.00 0.00 N ATOM 922 CA LYS A 58 -2.678 5.017 22.274 1.00 0.00 C ATOM 923 C LYS A 58 -3.670 4.575 23.360 1.00 0.00 C ATOM 924 O LYS A 58 -4.333 5.435 23.921 1.00 0.00 O ATOM 925 CB LYS A 58 -1.564 5.882 22.884 1.00 0.00 C ATOM 926 CG LYS A 58 -0.768 5.084 23.929 1.00 0.00 C ATOM 927 CD LYS A 58 0.142 4.034 23.257 1.00 0.00 C ATOM 928 CE LYS A 58 1.157 4.698 22.308 1.00 0.00 C ATOM 929 NZ LYS A 58 1.800 5.866 22.979 1.00 0.00 N ATOM 930 OXT LYS A 58 -3.752 3.383 23.614 1.00 0.00 O ATOM 0 H LYS A 58 -3.365 6.797 21.412 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.243 4.122 21.830 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.895 6.230 22.097 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.997 6.768 23.348 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.162 5.765 24.526 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.457 4.588 24.613 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.673 3.467 24.022 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.469 3.323 22.700 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.917 3.975 22.013 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.655 5.023 21.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.666 6.128 22.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.142 6.671 22.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.041 5.614 23.959 1.00 0.00 H new