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 26 GLN : amide:sc= -4.09! C(o=-6.8!,f=-3.9!) USER MOD Set 1.2: A 55 GLN : amide:sc= -2.72! K(o=-6.8!,f=-3.9) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.716 K(o=1.7,f=-1.9) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.96 K(o=1.7,f=-1.1) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.785 K(o=-2.1,f=-5.4!) USER MOD Set 3.2: A 52 ASN : amide:sc= -1.29 K(o=-2.1,f=-0.56) USER MOD Single : A 7 LYS NZ :NH3+ 156:sc= -0.103 (180deg=-0.593) USER MOD Single : A 9 MET CE :methyl -147:sc= -0.728 (180deg=-3.07!) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.286 K(o=0.29,f=-2.5!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= 1.74 (180deg=-2.27!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 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= -0.239 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 134:sc= 0.687 (180deg=0.288) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 -0.630 13.410 0.083 1.00 0.00 N ATOM 100 CA LYS A 7 -1.456 12.925 -1.034 1.00 0.00 C ATOM 101 C LYS A 7 -0.950 11.576 -1.564 1.00 0.00 C ATOM 102 O LYS A 7 -1.750 10.728 -1.974 1.00 0.00 O ATOM 103 CB LYS A 7 -1.452 13.954 -2.180 1.00 0.00 C ATOM 104 CG LYS A 7 -1.973 15.321 -1.692 1.00 0.00 C ATOM 105 CD LYS A 7 -3.451 15.216 -1.279 1.00 0.00 C ATOM 106 CE LYS A 7 -4.019 16.619 -1.017 1.00 0.00 C ATOM 107 NZ LYS A 7 -4.065 17.388 -2.295 1.00 0.00 N ATOM 0 HA LYS A 7 -2.471 12.790 -0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.441 14.064 -2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.074 13.594 -3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.376 15.664 -0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.862 16.063 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.023 14.723 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.545 14.602 -0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.019 16.543 -0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.400 17.142 -0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.786 18.134 -2.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.136 17.820 -2.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.305 16.747 -3.078 1.00 0.00 H new ATOM 121 N GLU A 8 0.375 11.386 -1.555 1.00 0.00 N ATOM 122 CA GLU A 8 0.968 10.137 -2.041 1.00 0.00 C ATOM 123 C GLU A 8 0.499 8.953 -1.192 1.00 0.00 C ATOM 124 O GLU A 8 0.165 7.889 -1.728 1.00 0.00 O ATOM 125 CB GLU A 8 2.503 10.229 -1.997 1.00 0.00 C ATOM 126 CG GLU A 8 3.009 11.312 -2.971 1.00 0.00 C ATOM 127 CD GLU A 8 2.583 11.006 -4.415 1.00 0.00 C ATOM 128 OE1 GLU A 8 2.912 9.934 -4.901 1.00 0.00 O ATOM 129 OE2 GLU A 8 1.931 11.849 -5.012 1.00 0.00 O ATOM 0 H GLU A 8 1.050 12.074 -1.220 1.00 0.00 H new ATOM 0 HA GLU A 8 0.645 9.981 -3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.830 10.462 -0.984 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.938 9.265 -2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.618 12.284 -2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.096 11.375 -2.916 1.00 0.00 H new ATOM 136 N MET A 9 0.464 9.148 0.133 1.00 0.00 N ATOM 137 CA MET A 9 0.021 8.092 1.042 1.00 0.00 C ATOM 138 C MET A 9 -1.441 7.751 0.791 1.00 0.00 C ATOM 139 O MET A 9 -1.814 6.580 0.806 1.00 0.00 O ATOM 140 CB MET A 9 0.204 8.529 2.504 1.00 0.00 C ATOM 141 CG MET A 9 1.691 8.486 2.883 1.00 0.00 C ATOM 142 SD MET A 9 2.210 10.108 3.501 1.00 0.00 S ATOM 143 CE MET A 9 3.614 10.348 2.385 1.00 0.00 C ATOM 0 H MET A 9 0.734 10.018 0.592 1.00 0.00 H new ATOM 0 HA MET A 9 0.630 7.207 0.856 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.186 9.537 2.642 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.367 7.874 3.162 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.860 7.725 3.644 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.290 8.208 2.016 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.394 10.910 2.898 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.006 9.378 2.080 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.288 10.901 1.504 1.00 0.00 H new ATOM 153 N ARG A 10 -2.260 8.783 0.559 1.00 0.00 N ATOM 154 CA ARG A 10 -3.691 8.585 0.304 1.00 0.00 C ATOM 155 C ARG A 10 -3.907 7.681 -0.916 1.00 0.00 C ATOM 156 O ARG A 10 -4.781 6.807 -0.907 1.00 0.00 O ATOM 157 CB ARG A 10 -4.370 9.945 0.075 1.00 0.00 C ATOM 158 CG ARG A 10 -5.895 9.767 -0.020 1.00 0.00 C ATOM 159 CD ARG A 10 -6.560 11.127 -0.273 1.00 0.00 C ATOM 160 NE ARG A 10 -8.019 10.990 -0.248 1.00 0.00 N ATOM 161 CZ ARG A 10 -8.833 12.037 -0.410 1.00 0.00 C ATOM 162 NH1 ARG A 10 -8.349 13.234 -0.602 1.00 0.00 N ATOM 163 NH2 ARG A 10 -10.123 11.861 -0.377 1.00 0.00 N ATOM 0 H ARG A 10 -1.959 9.757 0.543 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.134 8.100 1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.126 10.624 0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.992 10.399 -0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.141 9.076 -0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.278 9.330 0.902 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.242 11.842 0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.241 11.522 -1.238 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.426 10.066 -0.102 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.340 13.378 -0.630 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.980 14.026 -0.724 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.507 10.928 -0.228 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.750 12.656 -0.500 1.00 0.00 H new ATOM 177 N ASN A 11 -3.102 7.900 -1.957 1.00 0.00 N ATOM 178 CA ASN A 11 -3.212 7.104 -3.181 1.00 0.00 C ATOM 179 C ASN A 11 -2.900 5.630 -2.911 1.00 0.00 C ATOM 180 O ASN A 11 -3.710 4.755 -3.228 1.00 0.00 O ATOM 181 CB ASN A 11 -2.253 7.645 -4.256 1.00 0.00 C ATOM 182 CG ASN A 11 -2.617 9.084 -4.634 1.00 0.00 C ATOM 183 OD1 ASN A 11 -3.796 9.426 -4.744 1.00 0.00 O ATOM 184 ND2 ASN A 11 -1.667 9.952 -4.849 1.00 0.00 N ATOM 0 H ASN A 11 -2.374 8.614 -1.978 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.239 7.181 -3.538 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.228 7.609 -3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.295 7.010 -5.141 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.901 10.911 -5.107 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.690 9.672 -4.759 1.00 0.00 H new ATOM 191 N ALA A 12 -1.722 5.359 -2.335 1.00 0.00 N ATOM 192 CA ALA A 12 -1.317 3.977 -2.046 1.00 0.00 C ATOM 193 C ALA A 12 -2.218 3.344 -0.973 1.00 0.00 C ATOM 194 O ALA A 12 -2.498 2.147 -1.026 1.00 0.00 O ATOM 195 CB ALA A 12 0.157 3.929 -1.606 1.00 0.00 C ATOM 0 H ALA A 12 -1.041 6.067 -2.063 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.429 3.397 -2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.441 2.898 -1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.788 4.324 -2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.288 4.532 -0.707 1.00 0.00 H new ATOM 201 N TYR A 13 -2.669 4.156 -0.008 1.00 0.00 N ATOM 202 CA TYR A 13 -3.540 3.672 1.076 1.00 0.00 C ATOM 203 C TYR A 13 -4.799 3.001 0.516 1.00 0.00 C ATOM 204 O TYR A 13 -5.130 1.867 0.881 1.00 0.00 O ATOM 205 CB TYR A 13 -3.947 4.867 1.966 1.00 0.00 C ATOM 206 CG TYR A 13 -4.871 4.427 3.091 1.00 0.00 C ATOM 207 CD1 TYR A 13 -6.243 4.252 2.849 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.359 4.209 4.378 1.00 0.00 C ATOM 209 CE1 TYR A 13 -7.094 3.858 3.887 1.00 0.00 C ATOM 210 CE2 TYR A 13 -5.214 3.815 5.415 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.580 3.639 5.170 1.00 0.00 C ATOM 212 OH TYR A 13 -7.421 3.251 6.194 1.00 0.00 O ATOM 0 H TYR A 13 -2.447 5.150 0.046 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.991 2.933 1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.055 5.331 2.386 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.444 5.623 1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.642 4.422 1.860 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.305 4.345 4.570 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -8.149 3.723 3.698 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.818 3.647 6.406 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.903 3.141 7.019 1.00 0.00 H new ATOM 222 N TRP A 14 -5.496 3.726 -0.354 1.00 0.00 N ATOM 223 CA TRP A 14 -6.734 3.234 -0.961 1.00 0.00 C ATOM 224 C TRP A 14 -6.486 2.056 -1.910 1.00 0.00 C ATOM 225 O TRP A 14 -7.214 1.060 -1.870 1.00 0.00 O ATOM 226 CB TRP A 14 -7.394 4.383 -1.724 1.00 0.00 C ATOM 227 CG TRP A 14 -8.764 3.986 -2.193 1.00 0.00 C ATOM 228 CD1 TRP A 14 -9.858 3.881 -1.401 1.00 0.00 C ATOM 229 CD2 TRP A 14 -9.205 3.651 -3.543 1.00 0.00 C ATOM 230 NE1 TRP A 14 -10.938 3.500 -2.178 1.00 0.00 N ATOM 231 CE2 TRP A 14 -10.586 3.345 -3.504 1.00 0.00 C ATOM 232 CE3 TRP A 14 -8.546 3.580 -4.785 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -11.289 2.985 -4.653 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -9.251 3.217 -5.945 1.00 0.00 C ATOM 235 CH2 TRP A 14 -10.621 2.919 -5.878 1.00 0.00 C ATOM 0 H TRP A 14 -5.225 4.661 -0.657 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.385 2.873 -0.165 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.464 5.261 -1.082 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -6.777 4.661 -2.579 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -9.883 4.065 -0.337 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.880 3.352 -1.815 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -7.492 3.806 -4.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -12.343 2.759 -4.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -8.736 3.167 -6.893 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -11.158 2.639 -6.772 1.00 0.00 H new ATOM 246 N GLU A 15 -5.476 2.192 -2.778 1.00 0.00 N ATOM 247 CA GLU A 15 -5.163 1.145 -3.760 1.00 0.00 C ATOM 248 C GLU A 15 -4.803 -0.181 -3.084 1.00 0.00 C ATOM 249 O GLU A 15 -5.267 -1.240 -3.514 1.00 0.00 O ATOM 250 CB GLU A 15 -4.006 1.602 -4.660 1.00 0.00 C ATOM 251 CG GLU A 15 -4.484 2.729 -5.588 1.00 0.00 C ATOM 252 CD GLU A 15 -3.333 3.203 -6.478 1.00 0.00 C ATOM 253 OE1 GLU A 15 -2.899 2.426 -7.313 1.00 0.00 O ATOM 254 OE2 GLU A 15 -2.902 4.334 -6.312 1.00 0.00 O ATOM 0 H GLU A 15 -4.866 3.009 -2.821 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.056 0.979 -4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.173 1.950 -4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.639 0.763 -5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.310 2.376 -6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.863 3.562 -4.996 1.00 0.00 H new ATOM 261 N ILE A 16 -3.989 -0.123 -2.027 1.00 0.00 N ATOM 262 CA ILE A 16 -3.599 -1.340 -1.308 1.00 0.00 C ATOM 263 C ILE A 16 -4.827 -1.979 -0.651 1.00 0.00 C ATOM 264 O ILE A 16 -5.060 -3.184 -0.791 1.00 0.00 O ATOM 265 CB ILE A 16 -2.523 -1.014 -0.250 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.229 -0.560 -0.958 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.222 -2.260 0.608 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.269 0.078 0.054 1.00 0.00 C ATOM 0 H ILE A 16 -3.592 0.739 -1.654 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.177 -2.051 -2.018 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.893 -0.218 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.749 -1.413 -1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.468 0.155 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.462 -2.016 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.132 -2.582 1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.859 -3.064 -0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.640 0.394 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.747 0.943 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.017 -0.650 0.825 1.00 0.00 H new ATOM 280 N ALA A 17 -5.605 -1.157 0.061 1.00 0.00 N ATOM 281 CA ALA A 17 -6.810 -1.634 0.745 1.00 0.00 C ATOM 282 C ALA A 17 -7.801 -2.257 -0.243 1.00 0.00 C ATOM 283 O ALA A 17 -8.548 -3.172 0.117 1.00 0.00 O ATOM 284 CB ALA A 17 -7.481 -0.471 1.482 1.00 0.00 C ATOM 0 H ALA A 17 -5.422 -0.160 0.178 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.512 -2.402 1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.377 -0.830 1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.789 -0.058 2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.755 0.304 0.766 1.00 0.00 H new ATOM 290 N LEU A 18 -7.808 -1.747 -1.479 1.00 0.00 N ATOM 291 CA LEU A 18 -8.715 -2.248 -2.515 1.00 0.00 C ATOM 292 C LEU A 18 -8.473 -3.733 -2.804 1.00 0.00 C ATOM 293 O LEU A 18 -9.422 -4.472 -3.079 1.00 0.00 O ATOM 294 CB LEU A 18 -8.546 -1.429 -3.806 1.00 0.00 C ATOM 295 CG LEU A 18 -9.649 -1.796 -4.827 1.00 0.00 C ATOM 296 CD1 LEU A 18 -10.150 -0.527 -5.530 1.00 0.00 C ATOM 297 CD2 LEU A 18 -9.090 -2.766 -5.882 1.00 0.00 C ATOM 0 H LEU A 18 -7.197 -0.990 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.735 -2.139 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.593 -0.364 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.564 -1.619 -4.239 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.473 -2.272 -4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.927 -0.791 -6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.559 0.161 -4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.321 -0.049 -6.052 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.874 -3.018 -6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.260 -2.294 -6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.740 -3.674 -5.392 1.00 0.00 H new ATOM 309 N LEU A 19 -7.204 -4.166 -2.749 1.00 0.00 N ATOM 310 CA LEU A 19 -6.870 -5.569 -3.021 1.00 0.00 C ATOM 311 C LEU A 19 -7.438 -6.469 -1.906 1.00 0.00 C ATOM 312 O LEU A 19 -7.112 -6.284 -0.731 1.00 0.00 O ATOM 313 CB LEU A 19 -5.340 -5.720 -3.121 1.00 0.00 C ATOM 314 CG LEU A 19 -4.843 -5.549 -4.582 1.00 0.00 C ATOM 315 CD1 LEU A 19 -5.626 -4.456 -5.332 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.355 -5.170 -4.571 1.00 0.00 C ATOM 0 H LEU A 19 -6.405 -3.574 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.315 -5.876 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.858 -4.979 -2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.046 -6.701 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.000 -6.496 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.246 -4.370 -6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.683 -4.720 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.504 -3.503 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.003 -5.049 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.222 -4.234 -4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.783 -5.958 -4.081 1.00 0.00 H new ATOM 328 N PRO A 20 -8.307 -7.411 -2.252 1.00 0.00 N ATOM 329 CA PRO A 20 -8.973 -8.331 -1.269 1.00 0.00 C ATOM 330 C PRO A 20 -8.225 -9.635 -0.941 1.00 0.00 C ATOM 331 O PRO A 20 -8.447 -10.209 0.129 1.00 0.00 O ATOM 332 CB PRO A 20 -10.274 -8.659 -1.998 1.00 0.00 C ATOM 333 CG PRO A 20 -9.869 -8.752 -3.433 1.00 0.00 C ATOM 334 CD PRO A 20 -8.767 -7.711 -3.629 1.00 0.00 C ATOM 0 HA PRO A 20 -9.055 -7.853 -0.293 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.706 -9.595 -1.643 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.024 -7.884 -1.844 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.508 -9.752 -3.672 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.715 -8.553 -4.091 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.956 -8.100 -4.245 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.145 -6.818 -4.127 1.00 0.00 H new ATOM 342 N ASN A 21 -7.398 -10.133 -1.871 1.00 0.00 N ATOM 343 CA ASN A 21 -6.705 -11.414 -1.666 1.00 0.00 C ATOM 344 C ASN A 21 -5.415 -11.288 -0.853 1.00 0.00 C ATOM 345 O ASN A 21 -4.763 -12.301 -0.580 1.00 0.00 O ATOM 346 CB ASN A 21 -6.420 -12.067 -3.029 1.00 0.00 C ATOM 347 CG ASN A 21 -5.549 -11.165 -3.901 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.190 -10.053 -3.506 1.00 0.00 O ATOM 349 ND2 ASN A 21 -5.199 -11.577 -5.086 1.00 0.00 N ATOM 0 H ASN A 21 -7.194 -9.677 -2.760 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.370 -12.045 -1.076 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.921 -13.025 -2.879 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.360 -12.274 -3.540 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.629 -10.980 -5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.495 -12.496 -5.414 1.00 0.00 H new ATOM 356 N LEU A 22 -5.057 -10.069 -0.440 1.00 0.00 N ATOM 357 CA LEU A 22 -3.849 -9.893 0.370 1.00 0.00 C ATOM 358 C LEU A 22 -4.099 -10.431 1.769 1.00 0.00 C ATOM 359 O LEU A 22 -5.146 -10.155 2.365 1.00 0.00 O ATOM 360 CB LEU A 22 -3.439 -8.417 0.493 1.00 0.00 C ATOM 361 CG LEU A 22 -3.205 -7.782 -0.880 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.295 -6.255 -0.750 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.807 -8.151 -1.388 1.00 0.00 C ATOM 0 H LEU A 22 -5.570 -9.212 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.045 -10.434 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.216 -7.866 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.530 -8.339 1.090 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.958 -8.146 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.129 -5.796 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.283 -5.979 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.537 -5.904 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.644 -7.697 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.057 -7.784 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.725 -9.235 -1.473 1.00 0.00 H new ATOM 375 N ASN A 23 -3.127 -11.187 2.290 1.00 0.00 N ATOM 376 CA ASN A 23 -3.240 -11.758 3.643 1.00 0.00 C ATOM 377 C ASN A 23 -3.536 -10.650 4.664 1.00 0.00 C ATOM 378 O ASN A 23 -3.035 -9.530 4.532 1.00 0.00 O ATOM 379 CB ASN A 23 -1.945 -12.484 4.031 1.00 0.00 C ATOM 380 CG ASN A 23 -2.127 -13.202 5.368 1.00 0.00 C ATOM 381 OD1 ASN A 23 -1.730 -12.684 6.413 1.00 0.00 O ATOM 382 ND2 ASN A 23 -2.705 -14.371 5.398 1.00 0.00 N ATOM 0 H ASN A 23 -2.260 -11.418 1.804 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.061 -12.475 3.644 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.676 -13.203 3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.125 -11.769 4.102 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.828 -14.856 6.287 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.034 -14.800 4.533 1.00 0.00 H new ATOM 389 N ASN A 24 -4.372 -10.969 5.660 1.00 0.00 N ATOM 390 CA ASN A 24 -4.774 -10.000 6.693 1.00 0.00 C ATOM 391 C ASN A 24 -3.576 -9.239 7.275 1.00 0.00 C ATOM 392 O ASN A 24 -3.651 -8.025 7.483 1.00 0.00 O ATOM 393 CB ASN A 24 -5.505 -10.736 7.826 1.00 0.00 C ATOM 394 CG ASN A 24 -6.105 -9.734 8.812 1.00 0.00 C ATOM 395 OD1 ASN A 24 -5.569 -9.537 9.904 1.00 0.00 O ATOM 396 ND2 ASN A 24 -7.191 -9.088 8.493 1.00 0.00 N ATOM 0 H ASN A 24 -4.786 -11.894 5.774 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.432 -9.271 6.220 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.293 -11.364 7.411 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.811 -11.397 8.346 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.597 -8.419 9.147 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.635 -9.251 7.589 1.00 0.00 H new ATOM 403 N GLN A 25 -2.487 -9.960 7.538 1.00 0.00 N ATOM 404 CA GLN A 25 -1.283 -9.344 8.101 1.00 0.00 C ATOM 405 C GLN A 25 -0.636 -8.372 7.108 1.00 0.00 C ATOM 406 O GLN A 25 -0.179 -7.293 7.494 1.00 0.00 O ATOM 407 CB GLN A 25 -0.273 -10.437 8.485 1.00 0.00 C ATOM 408 CG GLN A 25 -0.860 -11.323 9.599 1.00 0.00 C ATOM 409 CD GLN A 25 0.115 -12.442 9.977 1.00 0.00 C ATOM 410 OE1 GLN A 25 0.904 -12.900 9.147 1.00 0.00 O ATOM 411 NE2 GLN A 25 0.103 -12.917 11.190 1.00 0.00 N ATOM 0 H GLN A 25 -2.412 -10.964 7.372 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.575 -8.780 8.987 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.033 -11.045 7.613 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.658 -9.982 8.823 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.079 -10.714 10.476 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.804 -11.755 9.267 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.548 -12.540 11.879 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.745 -13.665 11.451 1.00 0.00 H new ATOM 420 N GLN A 26 -0.592 -8.774 5.834 1.00 0.00 N ATOM 421 CA GLN A 26 0.018 -7.951 4.783 1.00 0.00 C ATOM 422 C GLN A 26 -0.748 -6.640 4.560 1.00 0.00 C ATOM 423 O GLN A 26 -0.133 -5.586 4.366 1.00 0.00 O ATOM 424 CB GLN A 26 0.070 -8.743 3.466 1.00 0.00 C ATOM 425 CG GLN A 26 1.018 -9.946 3.615 1.00 0.00 C ATOM 426 CD GLN A 26 1.033 -10.771 2.328 1.00 0.00 C ATOM 427 OE1 GLN A 26 2.096 -11.009 1.753 1.00 0.00 O ATOM 428 NE2 GLN A 26 -0.089 -11.221 1.837 1.00 0.00 N ATOM 0 H GLN A 26 -0.970 -9.662 5.505 1.00 0.00 H new ATOM 0 HA GLN A 26 1.026 -7.697 5.110 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.929 -9.087 3.199 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.412 -8.098 2.657 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.025 -9.598 3.844 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.698 -10.569 4.451 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.969 -11.024 2.313 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.086 -11.770 0.977 1.00 0.00 H new ATOM 437 N LYS A 27 -2.086 -6.715 4.572 1.00 0.00 N ATOM 438 CA LYS A 27 -2.931 -5.530 4.345 1.00 0.00 C ATOM 439 C LYS A 27 -2.546 -4.387 5.289 1.00 0.00 C ATOM 440 O LYS A 27 -2.255 -3.272 4.844 1.00 0.00 O ATOM 441 CB LYS A 27 -4.410 -5.895 4.566 1.00 0.00 C ATOM 442 CG LYS A 27 -4.867 -6.915 3.514 1.00 0.00 C ATOM 443 CD LYS A 27 -6.298 -7.390 3.832 1.00 0.00 C ATOM 444 CE LYS A 27 -7.239 -7.039 2.675 1.00 0.00 C ATOM 445 NZ LYS A 27 -7.022 -7.995 1.546 1.00 0.00 N ATOM 0 H LYS A 27 -2.606 -7.577 4.735 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.778 -5.198 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.545 -6.308 5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.026 -4.998 4.505 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.836 -6.466 2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.186 -7.766 3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.303 -8.467 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.649 -6.921 4.751 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.276 -7.084 3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.056 -6.018 2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.909 -7.464 0.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.165 -8.556 1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.841 -8.631 1.467 1.00 0.00 H new ATOM 459 N ARG A 28 -2.541 -4.683 6.587 1.00 0.00 N ATOM 460 CA ARG A 28 -2.186 -3.695 7.607 1.00 0.00 C ATOM 461 C ARG A 28 -0.684 -3.379 7.582 1.00 0.00 C ATOM 462 O ARG A 28 -0.277 -2.245 7.846 1.00 0.00 O ATOM 463 CB ARG A 28 -2.582 -4.228 8.994 1.00 0.00 C ATOM 464 CG ARG A 28 -2.382 -3.138 10.061 1.00 0.00 C ATOM 465 CD ARG A 28 -2.755 -3.692 11.442 1.00 0.00 C ATOM 466 NE ARG A 28 -2.678 -2.631 12.451 1.00 0.00 N ATOM 467 CZ ARG A 28 -2.968 -2.852 13.737 1.00 0.00 C ATOM 468 NH1 ARG A 28 -3.334 -4.037 14.145 1.00 0.00 N ATOM 469 NH2 ARG A 28 -2.883 -1.876 14.594 1.00 0.00 N ATOM 0 H ARG A 28 -2.779 -5.602 6.960 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.727 -2.773 7.394 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.623 -4.550 8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.980 -5.103 9.241 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.345 -2.802 10.061 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.999 -2.270 9.828 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.763 -4.106 11.416 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.082 -4.507 11.709 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.394 -1.695 12.163 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.401 -4.807 13.480 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.553 -4.193 15.129 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.596 -0.948 14.283 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.103 -2.039 15.576 1.00 0.00 H new ATOM 483 N ALA A 29 0.129 -4.404 7.303 1.00 0.00 N ATOM 484 CA ALA A 29 1.590 -4.260 7.293 1.00 0.00 C ATOM 485 C ALA A 29 2.093 -3.207 6.296 1.00 0.00 C ATOM 486 O ALA A 29 2.840 -2.307 6.689 1.00 0.00 O ATOM 487 CB ALA A 29 2.239 -5.611 6.973 1.00 0.00 C ATOM 0 H ALA A 29 -0.200 -5.344 7.081 1.00 0.00 H new ATOM 0 HA ALA A 29 1.875 -3.917 8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.323 -5.501 6.966 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.953 -6.341 7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.903 -5.953 5.994 1.00 0.00 H new ATOM 493 N PHE A 30 1.725 -3.335 5.012 1.00 0.00 N ATOM 494 CA PHE A 30 2.208 -2.381 3.998 1.00 0.00 C ATOM 495 C PHE A 30 1.781 -0.942 4.301 1.00 0.00 C ATOM 496 O PHE A 30 2.630 -0.050 4.354 1.00 0.00 O ATOM 497 CB PHE A 30 1.736 -2.785 2.594 1.00 0.00 C ATOM 498 CG PHE A 30 2.673 -3.845 2.038 1.00 0.00 C ATOM 499 CD1 PHE A 30 2.439 -5.204 2.283 1.00 0.00 C ATOM 500 CD2 PHE A 30 3.791 -3.457 1.288 1.00 0.00 C ATOM 501 CE1 PHE A 30 3.316 -6.168 1.778 1.00 0.00 C ATOM 502 CE2 PHE A 30 4.669 -4.422 0.784 1.00 0.00 C ATOM 503 CZ PHE A 30 4.433 -5.777 1.028 1.00 0.00 C ATOM 0 H PHE A 30 1.112 -4.068 4.656 1.00 0.00 H new ATOM 0 HA PHE A 30 3.297 -2.416 4.032 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.717 -3.169 2.636 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.721 -1.915 1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.580 -5.507 2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.975 -2.410 1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.132 -7.216 1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.530 -4.119 0.206 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.111 -6.522 0.639 1.00 0.00 H new ATOM 513 N ILE A 31 0.477 -0.718 4.488 1.00 0.00 N ATOM 514 CA ILE A 31 -0.027 0.630 4.772 1.00 0.00 C ATOM 515 C ILE A 31 0.623 1.211 6.039 1.00 0.00 C ATOM 516 O ILE A 31 0.982 2.392 6.060 1.00 0.00 O ATOM 517 CB ILE A 31 -1.572 0.624 4.875 1.00 0.00 C ATOM 518 CG1 ILE A 31 -2.160 0.261 3.484 1.00 0.00 C ATOM 519 CG2 ILE A 31 -2.078 2.009 5.320 1.00 0.00 C ATOM 520 CD1 ILE A 31 -3.691 0.424 3.455 1.00 0.00 C ATOM 0 H ILE A 31 -0.241 -1.442 4.449 1.00 0.00 H new ATOM 0 HA ILE A 31 0.249 1.280 3.941 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.891 -0.111 5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.711 0.898 2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.898 -0.767 3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.166 1.994 5.389 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.656 2.255 6.294 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.771 2.760 4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.066 0.161 2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.141 -0.232 4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.951 1.459 3.678 1.00 0.00 H new ATOM 532 N ARG A 32 0.788 0.388 7.082 1.00 0.00 N ATOM 533 CA ARG A 32 1.421 0.859 8.322 1.00 0.00 C ATOM 534 C ARG A 32 2.884 1.232 8.055 1.00 0.00 C ATOM 535 O ARG A 32 3.349 2.314 8.443 1.00 0.00 O ATOM 536 CB ARG A 32 1.344 -0.230 9.404 1.00 0.00 C ATOM 537 CG ARG A 32 1.901 0.307 10.734 1.00 0.00 C ATOM 538 CD ARG A 32 1.826 -0.783 11.811 1.00 0.00 C ATOM 539 NE ARG A 32 2.255 -0.245 13.105 1.00 0.00 N ATOM 540 CZ ARG A 32 2.265 -0.988 14.215 1.00 0.00 C ATOM 541 NH1 ARG A 32 1.885 -2.237 14.186 1.00 0.00 N ATOM 542 NH2 ARG A 32 2.657 -0.461 15.339 1.00 0.00 N ATOM 0 H ARG A 32 0.498 -0.590 7.095 1.00 0.00 H new ATOM 0 HA ARG A 32 0.889 1.742 8.675 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.310 -0.550 9.536 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.911 -1.106 9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.934 0.629 10.602 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.332 1.182 11.050 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.806 -1.161 11.886 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.459 -1.625 11.531 1.00 0.00 H new ATOM 0 HE ARG A 32 2.556 0.728 13.160 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.576 -2.656 13.309 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.897 -2.794 15.041 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.954 0.514 15.369 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.667 -1.023 16.190 1.00 0.00 H new ATOM 556 N SER A 33 3.596 0.328 7.370 1.00 0.00 N ATOM 557 CA SER A 33 5.001 0.551 7.025 1.00 0.00 C ATOM 558 C SER A 33 5.139 1.777 6.125 1.00 0.00 C ATOM 559 O SER A 33 6.198 2.401 6.081 1.00 0.00 O ATOM 560 CB SER A 33 5.577 -0.678 6.316 1.00 0.00 C ATOM 561 OG SER A 33 6.973 -0.487 6.095 1.00 0.00 O ATOM 0 H SER A 33 3.220 -0.563 7.045 1.00 0.00 H new ATOM 0 HA SER A 33 5.558 0.723 7.946 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.412 -1.570 6.920 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.066 -0.837 5.367 1.00 0.00 H new ATOM 0 HG SER A 33 7.343 -1.274 5.643 1.00 0.00 H new ATOM 567 N LEU A 34 4.056 2.100 5.404 1.00 0.00 N ATOM 568 CA LEU A 34 4.041 3.250 4.498 1.00 0.00 C ATOM 569 C LEU A 34 4.287 4.530 5.294 1.00 0.00 C ATOM 570 O LEU A 34 5.089 5.378 4.895 1.00 0.00 O ATOM 571 CB LEU A 34 2.676 3.315 3.791 1.00 0.00 C ATOM 572 CG LEU A 34 2.831 3.741 2.317 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.863 2.919 1.447 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.520 5.244 2.170 1.00 0.00 C ATOM 0 H LEU A 34 3.180 1.579 5.433 1.00 0.00 H new ATOM 0 HA LEU A 34 4.827 3.146 3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.191 2.340 3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.028 4.021 4.310 1.00 0.00 H new ATOM 0 HG LEU A 34 3.856 3.560 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.969 3.217 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.095 1.859 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.839 3.099 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.631 5.538 1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.498 5.437 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.211 5.820 2.785 1.00 0.00 H new ATOM 586 N TYR A 35 3.616 4.634 6.446 1.00 0.00 N ATOM 587 CA TYR A 35 3.790 5.782 7.329 1.00 0.00 C ATOM 588 C TYR A 35 5.206 5.756 7.902 1.00 0.00 C ATOM 589 O TYR A 35 5.858 6.794 8.029 1.00 0.00 O ATOM 590 CB TYR A 35 2.758 5.741 8.466 1.00 0.00 C ATOM 591 CG TYR A 35 2.867 7.001 9.307 1.00 0.00 C ATOM 592 CD1 TYR A 35 2.193 8.166 8.912 1.00 0.00 C ATOM 593 CD2 TYR A 35 3.642 7.005 10.476 1.00 0.00 C ATOM 594 CE1 TYR A 35 2.294 9.330 9.686 1.00 0.00 C ATOM 595 CE2 TYR A 35 3.741 8.170 11.247 1.00 0.00 C ATOM 596 CZ TYR A 35 3.068 9.331 10.851 1.00 0.00 C ATOM 597 OH TYR A 35 3.166 10.478 11.612 1.00 0.00 O ATOM 0 H TYR A 35 2.951 3.938 6.784 1.00 0.00 H new ATOM 0 HA TYR A 35 3.640 6.702 6.764 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.753 5.654 8.054 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.924 4.862 9.089 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.596 8.166 8.012 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.163 6.109 10.782 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.774 10.227 9.383 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.337 8.172 12.148 1.00 0.00 H new ATOM 0 HH TYR A 35 3.740 10.308 12.388 1.00 0.00 H new ATOM 607 N ASP A 36 5.663 4.544 8.242 1.00 0.00 N ATOM 608 CA ASP A 36 7.003 4.346 8.801 1.00 0.00 C ATOM 609 C ASP A 36 8.092 4.718 7.786 1.00 0.00 C ATOM 610 O ASP A 36 9.187 5.133 8.173 1.00 0.00 O ATOM 611 CB ASP A 36 7.182 2.882 9.228 1.00 0.00 C ATOM 612 CG ASP A 36 8.380 2.757 10.172 1.00 0.00 C ATOM 613 OD1 ASP A 36 9.481 2.569 9.681 1.00 0.00 O ATOM 614 OD2 ASP A 36 8.178 2.858 11.372 1.00 0.00 O ATOM 0 H ASP A 36 5.122 3.685 8.139 1.00 0.00 H new ATOM 0 HA ASP A 36 7.103 4.999 9.668 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.279 2.526 9.724 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.333 2.254 8.350 1.00 0.00 H new ATOM 619 N ASP A 37 7.794 4.537 6.492 1.00 0.00 N ATOM 620 CA ASP A 37 8.762 4.835 5.426 1.00 0.00 C ATOM 621 C ASP A 37 8.045 5.391 4.179 1.00 0.00 C ATOM 622 O ASP A 37 7.856 4.676 3.185 1.00 0.00 O ATOM 623 CB ASP A 37 9.539 3.559 5.079 1.00 0.00 C ATOM 624 CG ASP A 37 10.295 3.069 6.313 1.00 0.00 C ATOM 625 OD1 ASP A 37 11.232 3.741 6.708 1.00 0.00 O ATOM 626 OD2 ASP A 37 9.923 2.035 6.847 1.00 0.00 O ATOM 0 H ASP A 37 6.896 4.188 6.159 1.00 0.00 H new ATOM 0 HA ASP A 37 9.459 5.597 5.776 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.853 2.787 4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.238 3.756 4.266 1.00 0.00 H new ATOM 631 N PRO A 38 7.643 6.650 4.221 1.00 0.00 N ATOM 632 CA PRO A 38 6.925 7.317 3.084 1.00 0.00 C ATOM 633 C PRO A 38 7.692 7.220 1.763 1.00 0.00 C ATOM 634 O PRO A 38 7.089 7.177 0.686 1.00 0.00 O ATOM 635 CB PRO A 38 6.807 8.783 3.532 1.00 0.00 C ATOM 636 CG PRO A 38 6.923 8.757 5.018 1.00 0.00 C ATOM 637 CD PRO A 38 7.828 7.577 5.357 1.00 0.00 C ATOM 0 HA PRO A 38 5.964 6.842 2.886 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.593 9.393 3.088 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.855 9.213 3.220 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.345 9.690 5.391 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.944 8.642 5.482 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.869 7.887 5.455 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.543 7.113 6.302 1.00 0.00 H new ATOM 645 N SER A 39 9.021 7.200 1.864 1.00 0.00 N ATOM 646 CA SER A 39 9.887 7.127 0.688 1.00 0.00 C ATOM 647 C SER A 39 9.625 5.871 -0.146 1.00 0.00 C ATOM 648 O SER A 39 9.869 5.880 -1.355 1.00 0.00 O ATOM 649 CB SER A 39 11.358 7.151 1.120 1.00 0.00 C ATOM 650 OG SER A 39 12.189 7.228 -0.035 1.00 0.00 O ATOM 0 H SER A 39 9.522 7.233 2.752 1.00 0.00 H new ATOM 0 HA SER A 39 9.662 7.994 0.067 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.543 8.004 1.772 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.595 6.255 1.693 1.00 0.00 H new ATOM 0 HG SER A 39 13.130 7.245 0.239 1.00 0.00 H new ATOM 656 N GLN A 40 9.164 4.788 0.498 1.00 0.00 N ATOM 657 CA GLN A 40 8.914 3.529 -0.214 1.00 0.00 C ATOM 658 C GLN A 40 7.461 3.416 -0.698 1.00 0.00 C ATOM 659 O GLN A 40 7.095 2.396 -1.275 1.00 0.00 O ATOM 660 CB GLN A 40 9.233 2.332 0.705 1.00 0.00 C ATOM 661 CG GLN A 40 10.644 2.465 1.305 1.00 0.00 C ATOM 662 CD GLN A 40 11.701 2.499 0.200 1.00 0.00 C ATOM 663 OE1 GLN A 40 11.809 1.560 -0.588 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.491 3.531 0.098 1.00 0.00 N ATOM 0 H GLN A 40 8.960 4.759 1.497 1.00 0.00 H new ATOM 0 HA GLN A 40 9.564 3.520 -1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.496 2.276 1.506 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.160 1.403 0.139 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.706 3.375 1.902 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.839 1.629 1.976 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.401 4.309 0.752 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.199 3.561 -0.635 1.00 0.00 H new ATOM 673 N SER A 41 6.638 4.453 -0.459 1.00 0.00 N ATOM 674 CA SER A 41 5.216 4.425 -0.867 1.00 0.00 C ATOM 675 C SER A 41 5.032 3.871 -2.285 1.00 0.00 C ATOM 676 O SER A 41 4.112 3.086 -2.533 1.00 0.00 O ATOM 677 CB SER A 41 4.618 5.835 -0.796 1.00 0.00 C ATOM 678 OG SER A 41 3.249 5.791 -1.188 1.00 0.00 O ATOM 0 H SER A 41 6.926 5.313 0.009 1.00 0.00 H new ATOM 0 HA SER A 41 4.698 3.762 -0.175 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.705 6.228 0.217 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.172 6.510 -1.448 1.00 0.00 H new ATOM 0 HG SER A 41 2.866 6.692 -1.141 1.00 0.00 H new ATOM 684 N ALA A 42 5.912 4.276 -3.199 1.00 0.00 N ATOM 685 CA ALA A 42 5.840 3.806 -4.580 1.00 0.00 C ATOM 686 C ALA A 42 6.141 2.305 -4.657 1.00 0.00 C ATOM 687 O ALA A 42 5.428 1.551 -5.330 1.00 0.00 O ATOM 688 CB ALA A 42 6.844 4.577 -5.446 1.00 0.00 C ATOM 0 H ALA A 42 6.677 4.923 -3.010 1.00 0.00 H new ATOM 0 HA ALA A 42 4.830 3.980 -4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.785 4.222 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.609 5.641 -5.416 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.852 4.417 -5.064 1.00 0.00 H new ATOM 694 N ASN A 43 7.203 1.885 -3.961 1.00 0.00 N ATOM 695 CA ASN A 43 7.610 0.478 -3.950 1.00 0.00 C ATOM 696 C ASN A 43 6.575 -0.390 -3.239 1.00 0.00 C ATOM 697 O ASN A 43 6.215 -1.453 -3.729 1.00 0.00 O ATOM 698 CB ASN A 43 8.958 0.319 -3.229 1.00 0.00 C ATOM 699 CG ASN A 43 10.060 1.126 -3.919 1.00 0.00 C ATOM 700 OD1 ASN A 43 9.936 1.508 -5.085 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.143 1.403 -3.255 1.00 0.00 N ATOM 0 H ASN A 43 7.794 2.498 -3.400 1.00 0.00 H new ATOM 0 HA ASN A 43 7.698 0.155 -4.987 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.859 0.646 -2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.237 -0.734 -3.205 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.891 1.937 -3.698 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.245 1.087 -2.291 1.00 0.00 H new ATOM 708 N LEU A 44 6.122 0.073 -2.074 1.00 0.00 N ATOM 709 CA LEU A 44 5.142 -0.662 -1.271 1.00 0.00 C ATOM 710 C LEU A 44 3.862 -0.924 -2.066 1.00 0.00 C ATOM 711 O LEU A 44 3.320 -2.029 -2.025 1.00 0.00 O ATOM 712 CB LEU A 44 4.800 0.141 -0.018 1.00 0.00 C ATOM 713 CG LEU A 44 6.055 0.377 0.858 1.00 0.00 C ATOM 714 CD1 LEU A 44 5.736 1.410 1.945 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.500 -0.928 1.531 1.00 0.00 C ATOM 0 H LEU A 44 6.419 0.958 -1.663 1.00 0.00 H new ATOM 0 HA LEU A 44 5.581 -1.621 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.368 1.100 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.044 -0.389 0.561 1.00 0.00 H new ATOM 0 HG LEU A 44 6.858 0.740 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.620 1.575 2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.438 2.349 1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.922 1.041 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.383 -0.740 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.695 -1.304 2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.738 -1.668 0.767 1.00 0.00 H new ATOM 727 N LEU A 45 3.389 0.098 -2.795 1.00 0.00 N ATOM 728 CA LEU A 45 2.174 -0.038 -3.613 1.00 0.00 C ATOM 729 C LEU A 45 2.385 -1.124 -4.668 1.00 0.00 C ATOM 730 O LEU A 45 1.566 -2.039 -4.815 1.00 0.00 O ATOM 731 CB LEU A 45 1.858 1.313 -4.283 1.00 0.00 C ATOM 732 CG LEU A 45 0.773 1.162 -5.376 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.528 0.611 -4.772 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.496 2.530 -6.016 1.00 0.00 C ATOM 0 H LEU A 45 3.824 1.020 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 45 1.333 -0.325 -2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.521 2.024 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.766 1.723 -4.724 1.00 0.00 H new ATOM 0 HG LEU A 45 1.134 0.464 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.279 0.512 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.337 -0.365 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.892 1.295 -4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.268 2.423 -6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.147 3.225 -5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.412 2.914 -6.465 1.00 0.00 H new ATOM 746 N ALA A 46 3.506 -1.016 -5.379 1.00 0.00 N ATOM 747 CA ALA A 46 3.857 -1.998 -6.412 1.00 0.00 C ATOM 748 C ALA A 46 4.020 -3.382 -5.778 1.00 0.00 C ATOM 749 O ALA A 46 3.565 -4.392 -6.321 1.00 0.00 O ATOM 750 CB ALA A 46 5.165 -1.590 -7.099 1.00 0.00 C ATOM 0 H ALA A 46 4.185 -0.264 -5.262 1.00 0.00 H new ATOM 0 HA ALA A 46 3.059 -2.033 -7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.418 -2.324 -7.864 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.043 -0.611 -7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.965 -1.545 -6.360 1.00 0.00 H new ATOM 756 N GLU A 47 4.658 -3.399 -4.610 1.00 0.00 N ATOM 757 CA GLU A 47 4.880 -4.631 -3.864 1.00 0.00 C ATOM 758 C GLU A 47 3.547 -5.253 -3.458 1.00 0.00 C ATOM 759 O GLU A 47 3.385 -6.475 -3.499 1.00 0.00 O ATOM 760 CB GLU A 47 5.720 -4.331 -2.614 1.00 0.00 C ATOM 761 CG GLU A 47 7.207 -4.176 -2.990 1.00 0.00 C ATOM 762 CD GLU A 47 7.803 -5.527 -3.408 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.830 -6.426 -2.580 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.237 -5.638 -4.545 1.00 0.00 O ATOM 0 H GLU A 47 5.032 -2.565 -4.158 1.00 0.00 H new ATOM 0 HA GLU A 47 5.415 -5.338 -4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.362 -3.418 -2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.604 -5.136 -1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.309 -3.460 -3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.762 -3.774 -2.142 1.00 0.00 H new ATOM 771 N ALA A 48 2.591 -4.403 -3.073 1.00 0.00 N ATOM 772 CA ALA A 48 1.270 -4.880 -2.677 1.00 0.00 C ATOM 773 C ALA A 48 0.589 -5.533 -3.873 1.00 0.00 C ATOM 774 O ALA A 48 -0.046 -6.583 -3.745 1.00 0.00 O ATOM 775 CB ALA A 48 0.418 -3.717 -2.160 1.00 0.00 C ATOM 0 H ALA A 48 2.708 -3.391 -3.028 1.00 0.00 H new ATOM 0 HA ALA A 48 1.379 -5.612 -1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.565 -4.087 -1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.906 -3.264 -1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.306 -2.971 -2.946 1.00 0.00 H new ATOM 781 N LYS A 49 0.748 -4.907 -5.042 1.00 0.00 N ATOM 782 CA LYS A 49 0.167 -5.433 -6.272 1.00 0.00 C ATOM 783 C LYS A 49 0.797 -6.789 -6.598 1.00 0.00 C ATOM 784 O LYS A 49 0.123 -7.696 -7.093 1.00 0.00 O ATOM 785 CB LYS A 49 0.406 -4.454 -7.431 1.00 0.00 C ATOM 786 CG LYS A 49 -0.760 -4.534 -8.427 1.00 0.00 C ATOM 787 CD LYS A 49 -0.381 -3.816 -9.728 1.00 0.00 C ATOM 788 CE LYS A 49 -1.634 -3.223 -10.382 1.00 0.00 C ATOM 789 NZ LYS A 49 -1.303 -2.754 -11.759 1.00 0.00 N ATOM 0 H LYS A 49 1.272 -4.040 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.907 -5.558 -6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.500 -3.438 -7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.343 -4.693 -7.934 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.003 -5.576 -8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.651 -4.078 -7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.340 -3.025 -9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.101 -4.515 -10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.425 -3.972 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.011 -2.393 -9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.153 -2.352 -12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.561 -2.027 -11.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.963 -3.556 -12.327 1.00 0.00 H new ATOM 803 N LYS A 50 2.100 -6.909 -6.306 1.00 0.00 N ATOM 804 CA LYS A 50 2.841 -8.145 -6.551 1.00 0.00 C ATOM 805 C LYS A 50 2.218 -9.297 -5.764 1.00 0.00 C ATOM 806 O LYS A 50 2.026 -10.393 -6.297 1.00 0.00 O ATOM 807 CB LYS A 50 4.300 -7.948 -6.120 1.00 0.00 C ATOM 808 CG LYS A 50 5.155 -9.138 -6.582 1.00 0.00 C ATOM 809 CD LYS A 50 6.638 -8.853 -6.288 1.00 0.00 C ATOM 810 CE LYS A 50 6.939 -9.072 -4.799 1.00 0.00 C ATOM 811 NZ LYS A 50 8.276 -8.498 -4.474 1.00 0.00 N ATOM 0 H LYS A 50 2.660 -6.160 -5.899 1.00 0.00 H new ATOM 0 HA LYS A 50 2.801 -8.387 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.691 -7.023 -6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.356 -7.849 -5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.840 -10.046 -6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.012 -9.309 -7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.267 -9.506 -6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.880 -7.828 -6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.170 -8.599 -4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.922 -10.137 -4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.211 -7.941 -3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.962 -9.268 -4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.588 -7.883 -5.253 1.00 0.00 H new ATOM 825 N LEU A 51 1.891 -9.022 -4.496 1.00 0.00 N ATOM 826 CA LEU A 51 1.266 -10.022 -3.630 1.00 0.00 C ATOM 827 C LEU A 51 -0.092 -10.430 -4.195 1.00 0.00 C ATOM 828 O LEU A 51 -0.424 -11.616 -4.234 1.00 0.00 O ATOM 829 CB LEU A 51 1.105 -9.449 -2.211 1.00 0.00 C ATOM 830 CG LEU A 51 2.484 -9.341 -1.532 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.351 -8.554 -0.224 1.00 0.00 C ATOM 832 CD2 LEU A 51 3.034 -10.747 -1.232 1.00 0.00 C ATOM 0 H LEU A 51 2.049 -8.118 -4.050 1.00 0.00 H new ATOM 0 HA LEU A 51 1.902 -10.906 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.634 -8.467 -2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.449 -10.090 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 51 3.171 -8.824 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.327 -8.478 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.973 -7.554 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.659 -9.069 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.009 -10.662 -0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.347 -11.272 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.136 -11.304 -2.163 1.00 0.00 H new ATOM 844 N ASN A 52 -0.859 -9.435 -4.652 1.00 0.00 N ATOM 845 CA ASN A 52 -2.175 -9.688 -5.243 1.00 0.00 C ATOM 846 C ASN A 52 -2.038 -10.567 -6.484 1.00 0.00 C ATOM 847 O ASN A 52 -2.763 -11.551 -6.639 1.00 0.00 O ATOM 848 CB ASN A 52 -2.835 -8.349 -5.615 1.00 0.00 C ATOM 849 CG ASN A 52 -4.063 -8.562 -6.506 1.00 0.00 C ATOM 850 OD1 ASN A 52 -3.979 -8.419 -7.725 1.00 0.00 O ATOM 851 ND2 ASN A 52 -5.201 -8.894 -5.969 1.00 0.00 N ATOM 0 H ASN A 52 -0.592 -8.451 -4.624 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.799 -10.209 -4.517 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.129 -7.821 -4.708 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.113 -7.717 -6.132 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.021 -9.035 -6.559 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.273 -9.013 -4.959 1.00 0.00 H new ATOM 858 N ASP A 53 -1.108 -10.190 -7.361 1.00 0.00 N ATOM 859 CA ASP A 53 -0.874 -10.931 -8.600 1.00 0.00 C ATOM 860 C ASP A 53 -0.426 -12.364 -8.319 1.00 0.00 C ATOM 861 O ASP A 53 -0.801 -13.288 -9.046 1.00 0.00 O ATOM 862 CB ASP A 53 0.195 -10.214 -9.435 1.00 0.00 C ATOM 863 CG ASP A 53 0.344 -10.877 -10.808 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.434 -10.551 -11.690 1.00 0.00 O ATOM 865 OD2 ASP A 53 1.231 -11.704 -10.956 1.00 0.00 O ATOM 0 H ASP A 53 -0.505 -9.377 -7.237 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.814 -10.972 -9.151 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.076 -9.166 -9.559 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.150 -10.236 -8.909 1.00 0.00 H new ATOM 870 N ALA A 54 0.404 -12.534 -7.288 1.00 0.00 N ATOM 871 CA ALA A 54 0.928 -13.854 -6.950 1.00 0.00 C ATOM 872 C ALA A 54 -0.109 -14.733 -6.234 1.00 0.00 C ATOM 873 O ALA A 54 -0.333 -15.880 -6.630 1.00 0.00 O ATOM 874 CB ALA A 54 2.170 -13.705 -6.065 1.00 0.00 C ATOM 0 H ALA A 54 0.724 -11.781 -6.679 1.00 0.00 H new ATOM 0 HA ALA A 54 1.186 -14.349 -7.886 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.559 -14.692 -5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.933 -13.140 -6.601 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.903 -13.177 -5.150 1.00 0.00 H new ATOM 880 N GLN A 55 -0.717 -14.196 -5.171 1.00 0.00 N ATOM 881 CA GLN A 55 -1.711 -14.945 -4.386 1.00 0.00 C ATOM 882 C GLN A 55 -2.973 -15.247 -5.197 1.00 0.00 C ATOM 883 O GLN A 55 -3.666 -16.230 -4.921 1.00 0.00 O ATOM 884 CB GLN A 55 -2.099 -14.159 -3.122 1.00 0.00 C ATOM 885 CG GLN A 55 -0.886 -14.008 -2.192 1.00 0.00 C ATOM 886 CD GLN A 55 -1.167 -12.908 -1.176 1.00 0.00 C ATOM 887 OE1 GLN A 55 -1.058 -13.122 0.031 1.00 0.00 O ATOM 888 NE2 GLN A 55 -1.528 -11.730 -1.606 1.00 0.00 N ATOM 0 H GLN A 55 -0.541 -13.250 -4.833 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.249 -15.892 -4.108 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.477 -13.175 -3.400 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.905 -14.674 -2.599 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.686 -14.949 -1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.004 -13.765 -2.772 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.617 -11.558 -2.607 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.721 -10.981 -0.941 1.00 0.00 H new ATOM 897 N ALA A 56 -3.278 -14.388 -6.177 1.00 0.00 N ATOM 898 CA ALA A 56 -4.477 -14.561 -7.004 1.00 0.00 C ATOM 899 C ALA A 56 -4.495 -15.938 -7.689 1.00 0.00 C ATOM 900 O ALA A 56 -3.442 -16.467 -8.056 1.00 0.00 O ATOM 901 CB ALA A 56 -4.548 -13.460 -8.066 1.00 0.00 C ATOM 0 H ALA A 56 -2.715 -13.572 -6.415 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.344 -14.494 -6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.442 -13.598 -8.674 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.588 -12.486 -7.578 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.665 -13.511 -8.703 1.00 0.00 H new ATOM 907 N PRO A 57 -5.672 -16.518 -7.866 1.00 0.00 N ATOM 908 CA PRO A 57 -5.832 -17.855 -8.521 1.00 0.00 C ATOM 909 C PRO A 57 -5.572 -17.796 -10.028 1.00 0.00 C ATOM 910 O PRO A 57 -5.749 -16.749 -10.657 1.00 0.00 O ATOM 911 CB PRO A 57 -7.287 -18.236 -8.224 1.00 0.00 C ATOM 912 CG PRO A 57 -8.001 -16.938 -8.032 1.00 0.00 C ATOM 913 CD PRO A 57 -6.978 -15.956 -7.467 1.00 0.00 C ATOM 0 HA PRO A 57 -5.115 -18.584 -8.144 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.720 -18.806 -9.046 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.357 -18.859 -7.332 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.405 -16.575 -8.977 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.843 -17.056 -7.349 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.121 -14.955 -7.874 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.061 -15.875 -6.383 1.00 0.00 H new ATOM 921 N LYS A 58 -5.158 -18.934 -10.591 1.00 0.00 N ATOM 922 CA LYS A 58 -4.869 -19.037 -12.027 1.00 0.00 C ATOM 923 C LYS A 58 -6.005 -19.770 -12.752 1.00 0.00 C ATOM 924 O LYS A 58 -6.528 -19.218 -13.708 1.00 0.00 O ATOM 925 CB LYS A 58 -3.547 -19.793 -12.245 1.00 0.00 C ATOM 926 CG LYS A 58 -2.383 -19.000 -11.627 1.00 0.00 C ATOM 927 CD LYS A 58 -1.049 -19.685 -11.960 1.00 0.00 C ATOM 928 CE LYS A 58 0.099 -18.977 -11.226 1.00 0.00 C ATOM 929 NZ LYS A 58 0.200 -19.504 -9.833 1.00 0.00 N ATOM 930 OXT LYS A 58 -6.333 -20.872 -12.339 1.00 0.00 O ATOM 0 H LYS A 58 -5.014 -19.801 -10.073 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.782 -18.030 -12.434 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.605 -20.783 -11.792 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.373 -19.940 -13.311 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.383 -17.979 -12.010 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.509 -18.935 -10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.086 -20.735 -11.668 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.875 -19.659 -13.036 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.038 -19.138 -11.756 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.076 -17.901 -11.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.978 -19.024 -9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.693 -19.328 -9.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.386 -20.527 -9.861 1.00 0.00 H new