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= 0.637 K(o=1.5,f=-1.5) USER MOD Set 1.2: A 43 ASN : amide:sc= 0.817 K(o=1.5,f=-0.97) USER MOD Set 2.1: A 23 ASN : amide:sc= -1.18 K(o=-14,f=-5.1) USER MOD Set 2.2: A 26 GLN : amide:sc= -8.01! K(o=-14!,f=-4.2) USER MOD Set 2.3: A 55 GLN : amide:sc= -4.78! C(o=-14!,f=-9.5!) USER MOD Set 3.1: A 21 ASN : amide:sc= -1.84 K(o=-3,f=-8.8!) USER MOD Set 3.2: A 52 ASN : amide:sc= -1.19 K(o=-3,f=-0.9) USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= -0.0522 (180deg=-0.435) USER MOD Single : A 9 MET CE :methyl 144:sc= -0.456 (180deg=-2.14!) USER MOD Single : A 11 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.2) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.209 K(o=-0.21,f=-2.3) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 1.29 (180deg=0.927) USER MOD Single : A 33 SER OG : rot 160:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 110:sc= 0.796 USER MOD Single : A 41 SER OG : rot 180:sc= -0.527 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 0.754 (180deg=0.717) USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= 0.43 (180deg=-0.134) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 -0.947 13.596 0.328 1.00 0.00 N ATOM 100 CA LYS A 7 -1.357 13.327 -1.057 1.00 0.00 C ATOM 101 C LYS A 7 -0.846 11.965 -1.547 1.00 0.00 C ATOM 102 O LYS A 7 -1.638 11.110 -1.963 1.00 0.00 O ATOM 103 CB LYS A 7 -0.828 14.443 -1.975 1.00 0.00 C ATOM 104 CG LYS A 7 -1.400 14.297 -3.398 1.00 0.00 C ATOM 105 CD LYS A 7 -2.862 14.779 -3.433 1.00 0.00 C ATOM 106 CE LYS A 7 -3.384 14.763 -4.875 1.00 0.00 C ATOM 107 NZ LYS A 7 -2.673 15.802 -5.675 1.00 0.00 N ATOM 0 HA LYS A 7 -2.446 13.303 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.101 15.416 -1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.261 14.406 -2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.801 14.877 -4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.345 13.256 -3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.481 14.137 -2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.931 15.787 -3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.229 13.779 -5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.457 14.952 -4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.239 16.042 -6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.536 16.654 -5.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.748 15.435 -5.976 1.00 0.00 H new ATOM 121 N GLU A 8 0.475 11.772 -1.499 1.00 0.00 N ATOM 122 CA GLU A 8 1.077 10.512 -1.951 1.00 0.00 C ATOM 123 C GLU A 8 0.609 9.344 -1.080 1.00 0.00 C ATOM 124 O GLU A 8 0.314 8.250 -1.585 1.00 0.00 O ATOM 125 CB GLU A 8 2.610 10.613 -1.884 1.00 0.00 C ATOM 126 CG GLU A 8 3.117 11.699 -2.858 1.00 0.00 C ATOM 127 CD GLU A 8 4.657 11.811 -2.849 1.00 0.00 C ATOM 128 OE1 GLU A 8 5.309 11.065 -2.127 1.00 0.00 O ATOM 129 OE2 GLU A 8 5.164 12.652 -3.573 1.00 0.00 O ATOM 0 H GLU A 8 1.143 12.463 -1.156 1.00 0.00 H new ATOM 0 HA GLU A 8 0.763 10.332 -2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.922 10.852 -0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.056 9.651 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.776 11.468 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.682 12.661 -2.587 1.00 0.00 H new ATOM 136 N MET A 9 0.552 9.591 0.230 1.00 0.00 N ATOM 137 CA MET A 9 0.133 8.575 1.193 1.00 0.00 C ATOM 138 C MET A 9 -1.300 8.118 0.915 1.00 0.00 C ATOM 139 O MET A 9 -1.569 6.918 0.861 1.00 0.00 O ATOM 140 CB MET A 9 0.236 9.155 2.610 1.00 0.00 C ATOM 141 CG MET A 9 -0.071 8.084 3.673 1.00 0.00 C ATOM 142 SD MET A 9 1.460 7.585 4.510 1.00 0.00 S ATOM 143 CE MET A 9 1.975 9.212 5.120 1.00 0.00 C ATOM 0 H MET A 9 0.792 10.490 0.648 1.00 0.00 H new ATOM 0 HA MET A 9 0.786 7.707 1.100 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.237 9.554 2.771 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.460 9.987 2.717 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.782 8.475 4.401 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.538 7.218 3.204 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.443 9.102 6.098 1.00 0.00 H new ATOM 0 HE2 MET A 9 2.689 9.652 4.424 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.104 9.861 5.205 1.00 0.00 H new ATOM 153 N ARG A 10 -2.205 9.084 0.738 1.00 0.00 N ATOM 154 CA ARG A 10 -3.614 8.786 0.468 1.00 0.00 C ATOM 155 C ARG A 10 -3.768 7.933 -0.795 1.00 0.00 C ATOM 156 O ARG A 10 -4.603 7.022 -0.839 1.00 0.00 O ATOM 157 CB ARG A 10 -4.399 10.099 0.308 1.00 0.00 C ATOM 158 CG ARG A 10 -5.905 9.809 0.160 1.00 0.00 C ATOM 159 CD ARG A 10 -6.672 11.118 -0.079 1.00 0.00 C ATOM 160 NE ARG A 10 -6.544 12.009 1.078 1.00 0.00 N ATOM 161 CZ ARG A 10 -7.112 13.217 1.111 1.00 0.00 C ATOM 162 NH1 ARG A 10 -7.812 13.654 0.096 1.00 0.00 N ATOM 163 NH2 ARG A 10 -6.968 13.969 2.163 1.00 0.00 N ATOM 0 H ARG A 10 -1.987 10.080 0.777 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.011 8.220 1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.229 10.740 1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.039 10.641 -0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.072 9.124 -0.671 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.279 9.318 1.058 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.288 11.613 -0.971 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.724 10.901 -0.263 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.003 11.696 1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.929 13.070 -0.732 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.241 14.579 0.133 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.423 13.635 2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.400 14.893 2.193 1.00 0.00 H new ATOM 177 N ASN A 11 -2.967 8.246 -1.821 1.00 0.00 N ATOM 178 CA ASN A 11 -3.029 7.516 -3.090 1.00 0.00 C ATOM 179 C ASN A 11 -2.736 6.025 -2.897 1.00 0.00 C ATOM 180 O ASN A 11 -3.580 5.180 -3.219 1.00 0.00 O ATOM 181 CB ASN A 11 -2.024 8.111 -4.092 1.00 0.00 C ATOM 182 CG ASN A 11 -2.371 9.570 -4.418 1.00 0.00 C ATOM 183 OD1 ASN A 11 -3.520 9.992 -4.279 1.00 0.00 O ATOM 184 ND2 ASN A 11 -1.435 10.368 -4.852 1.00 0.00 N ATOM 0 H ASN A 11 -2.274 8.994 -1.797 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.042 7.617 -3.479 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.017 8.057 -3.678 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.025 7.520 -5.008 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.655 11.339 -5.075 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.483 10.021 -4.968 1.00 0.00 H new ATOM 191 N ALA A 12 -1.544 5.705 -2.379 1.00 0.00 N ATOM 192 CA ALA A 12 -1.168 4.299 -2.166 1.00 0.00 C ATOM 193 C ALA A 12 -2.012 3.654 -1.055 1.00 0.00 C ATOM 194 O ALA A 12 -2.267 2.451 -1.095 1.00 0.00 O ATOM 195 CB ALA A 12 0.330 4.181 -1.836 1.00 0.00 C ATOM 0 H ALA A 12 -0.835 6.384 -2.104 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.366 3.761 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.587 3.133 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.917 4.581 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.548 4.745 -0.929 1.00 0.00 H new ATOM 201 N TYR A 13 -2.445 4.459 -0.072 1.00 0.00 N ATOM 202 CA TYR A 13 -3.262 3.955 1.048 1.00 0.00 C ATOM 203 C TYR A 13 -4.516 3.227 0.541 1.00 0.00 C ATOM 204 O TYR A 13 -4.708 2.034 0.806 1.00 0.00 O ATOM 205 CB TYR A 13 -3.674 5.145 1.945 1.00 0.00 C ATOM 206 CG TYR A 13 -4.627 4.707 3.048 1.00 0.00 C ATOM 207 CD1 TYR A 13 -6.009 4.660 2.805 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.132 4.360 4.312 1.00 0.00 C ATOM 209 CE1 TYR A 13 -6.888 4.264 3.820 1.00 0.00 C ATOM 210 CE2 TYR A 13 -5.014 3.965 5.326 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.390 3.916 5.081 1.00 0.00 C ATOM 212 OH TYR A 13 -7.256 3.527 6.081 1.00 0.00 O ATOM 0 H TYR A 13 -2.245 5.458 -0.028 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.669 3.240 1.619 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.785 5.594 2.388 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.149 5.914 1.336 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.395 4.930 1.833 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.070 4.397 4.505 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.951 4.227 3.630 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.630 3.698 6.300 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.747 3.319 6.892 1.00 0.00 H new ATOM 222 N TRP A 14 -5.361 3.963 -0.176 1.00 0.00 N ATOM 223 CA TRP A 14 -6.603 3.409 -0.710 1.00 0.00 C ATOM 224 C TRP A 14 -6.337 2.349 -1.786 1.00 0.00 C ATOM 225 O TRP A 14 -7.017 1.319 -1.824 1.00 0.00 O ATOM 226 CB TRP A 14 -7.447 4.548 -1.289 1.00 0.00 C ATOM 227 CG TRP A 14 -8.808 4.048 -1.681 1.00 0.00 C ATOM 228 CD1 TRP A 14 -9.799 3.731 -0.814 1.00 0.00 C ATOM 229 CD2 TRP A 14 -9.344 3.811 -3.016 1.00 0.00 C ATOM 230 NE1 TRP A 14 -10.905 3.312 -1.531 1.00 0.00 N ATOM 231 CE2 TRP A 14 -10.675 3.345 -2.892 1.00 0.00 C ATOM 232 CE3 TRP A 14 -8.811 3.954 -4.311 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -11.448 3.032 -4.010 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -9.588 3.639 -5.439 1.00 0.00 C ATOM 235 CH2 TRP A 14 -10.903 3.180 -5.288 1.00 0.00 C ATOM 0 H TRP A 14 -5.208 4.946 -0.401 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.140 2.918 0.102 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.544 5.346 -0.553 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -6.946 4.975 -2.158 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -9.736 3.795 0.262 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.783 3.015 -1.106 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -7.799 4.308 -4.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -12.461 2.678 -3.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -9.169 3.751 -6.428 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -11.495 2.941 -6.159 1.00 0.00 H new ATOM 246 N GLU A 15 -5.368 2.621 -2.669 1.00 0.00 N ATOM 247 CA GLU A 15 -5.046 1.691 -3.758 1.00 0.00 C ATOM 248 C GLU A 15 -4.618 0.322 -3.215 1.00 0.00 C ATOM 249 O GLU A 15 -5.061 -0.710 -3.723 1.00 0.00 O ATOM 250 CB GLU A 15 -3.937 2.282 -4.641 1.00 0.00 C ATOM 251 CG GLU A 15 -3.798 1.460 -5.940 1.00 0.00 C ATOM 252 CD GLU A 15 -5.042 1.600 -6.838 1.00 0.00 C ATOM 253 OE1 GLU A 15 -5.641 2.668 -6.856 1.00 0.00 O ATOM 254 OE2 GLU A 15 -5.377 0.630 -7.500 1.00 0.00 O ATOM 0 H GLU A 15 -4.799 3.467 -2.652 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.945 1.546 -4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.167 3.320 -4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.991 2.282 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.915 1.790 -6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.645 0.410 -5.692 1.00 0.00 H new ATOM 261 N ILE A 16 -3.774 0.315 -2.178 1.00 0.00 N ATOM 262 CA ILE A 16 -3.320 -0.945 -1.576 1.00 0.00 C ATOM 263 C ILE A 16 -4.503 -1.690 -0.953 1.00 0.00 C ATOM 264 O ILE A 16 -4.671 -2.895 -1.170 1.00 0.00 O ATOM 265 CB ILE A 16 -2.237 -0.672 -0.510 1.00 0.00 C ATOM 266 CG1 ILE A 16 -0.941 -0.207 -1.202 1.00 0.00 C ATOM 267 CG2 ILE A 16 -1.948 -1.948 0.302 1.00 0.00 C ATOM 268 CD1 ILE A 16 0.026 0.393 -0.170 1.00 0.00 C ATOM 0 H ILE A 16 -3.395 1.155 -1.742 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.887 -1.569 -2.358 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.598 0.104 0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.468 -1.049 -1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.174 0.534 -1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.182 -1.738 1.049 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.860 -2.277 0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.596 -2.733 -0.367 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.938 0.718 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.445 1.248 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.272 -0.360 0.579 1.00 0.00 H new ATOM 280 N ALA A 17 -5.309 -0.961 -0.177 1.00 0.00 N ATOM 281 CA ALA A 17 -6.475 -1.546 0.490 1.00 0.00 C ATOM 282 C ALA A 17 -7.455 -2.145 -0.525 1.00 0.00 C ATOM 283 O ALA A 17 -8.216 -3.060 -0.192 1.00 0.00 O ATOM 284 CB ALA A 17 -7.189 -0.473 1.320 1.00 0.00 C ATOM 0 H ALA A 17 -5.176 0.034 0.005 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.125 -2.347 1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.056 -0.912 1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.504 -0.078 2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.516 0.335 0.666 1.00 0.00 H new ATOM 290 N LEU A 18 -7.436 -1.612 -1.751 1.00 0.00 N ATOM 291 CA LEU A 18 -8.331 -2.076 -2.816 1.00 0.00 C ATOM 292 C LEU A 18 -8.131 -3.568 -3.117 1.00 0.00 C ATOM 293 O LEU A 18 -9.090 -4.253 -3.488 1.00 0.00 O ATOM 294 CB LEU A 18 -8.093 -1.254 -4.096 1.00 0.00 C ATOM 295 CG LEU A 18 -9.180 -1.555 -5.149 1.00 0.00 C ATOM 296 CD1 LEU A 18 -10.536 -0.994 -4.688 1.00 0.00 C ATOM 297 CD2 LEU A 18 -8.789 -0.905 -6.485 1.00 0.00 C ATOM 0 H LEU A 18 -6.809 -0.857 -2.031 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.356 -1.937 -2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.096 -0.191 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.110 -1.486 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.265 -2.635 -5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.295 -1.213 -5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.818 -1.456 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.457 0.085 -4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.556 -1.116 -7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.699 0.173 -6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.835 -1.310 -6.821 1.00 0.00 H new ATOM 309 N LEU A 19 -6.889 -4.068 -2.976 1.00 0.00 N ATOM 310 CA LEU A 19 -6.602 -5.485 -3.264 1.00 0.00 C ATOM 311 C LEU A 19 -7.487 -6.409 -2.404 1.00 0.00 C ATOM 312 O LEU A 19 -7.727 -6.117 -1.229 1.00 0.00 O ATOM 313 CB LEU A 19 -5.123 -5.811 -3.019 1.00 0.00 C ATOM 314 CG LEU A 19 -4.160 -5.018 -3.956 1.00 0.00 C ATOM 315 CD1 LEU A 19 -3.035 -5.940 -4.425 1.00 0.00 C ATOM 316 CD2 LEU A 19 -4.853 -4.484 -5.220 1.00 0.00 C ATOM 0 H LEU A 19 -6.082 -3.524 -2.670 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.827 -5.657 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.875 -5.589 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.963 -6.880 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.793 -4.174 -3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.361 -5.388 -5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.481 -6.307 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.459 -6.784 -4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.130 -3.942 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.258 -5.318 -5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.663 -3.813 -4.935 1.00 0.00 H new ATOM 328 N PRO A 20 -8.013 -7.481 -2.983 1.00 0.00 N ATOM 329 CA PRO A 20 -8.942 -8.426 -2.285 1.00 0.00 C ATOM 330 C PRO A 20 -8.292 -9.613 -1.553 1.00 0.00 C ATOM 331 O PRO A 20 -8.731 -9.978 -0.459 1.00 0.00 O ATOM 332 CB PRO A 20 -9.802 -8.930 -3.446 1.00 0.00 C ATOM 333 CG PRO A 20 -8.876 -8.973 -4.624 1.00 0.00 C ATOM 334 CD PRO A 20 -7.774 -7.934 -4.373 1.00 0.00 C ATOM 0 HA PRO A 20 -9.463 -7.917 -1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.215 -9.916 -3.232 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.645 -8.264 -3.631 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.447 -9.968 -4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.414 -8.748 -5.545 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.782 -8.371 -4.485 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.839 -7.106 -5.079 1.00 0.00 H new ATOM 342 N ASN A 21 -7.313 -10.264 -2.196 1.00 0.00 N ATOM 343 CA ASN A 21 -6.688 -11.472 -1.635 1.00 0.00 C ATOM 344 C ASN A 21 -5.514 -11.208 -0.684 1.00 0.00 C ATOM 345 O ASN A 21 -4.985 -12.167 -0.110 1.00 0.00 O ATOM 346 CB ASN A 21 -6.242 -12.387 -2.790 1.00 0.00 C ATOM 347 CG ASN A 21 -5.332 -11.642 -3.762 1.00 0.00 C ATOM 348 OD1 ASN A 21 -4.925 -10.506 -3.507 1.00 0.00 O ATOM 349 ND2 ASN A 21 -4.997 -12.214 -4.880 1.00 0.00 N ATOM 0 H ASN A 21 -6.938 -9.977 -3.100 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.448 -11.953 -1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.718 -13.255 -2.389 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.118 -12.761 -3.321 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.399 -11.723 -5.545 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.333 -13.153 -5.093 1.00 0.00 H new ATOM 356 N LEU A 22 -5.113 -9.945 -0.478 1.00 0.00 N ATOM 357 CA LEU A 22 -4.010 -9.684 0.459 1.00 0.00 C ATOM 358 C LEU A 22 -4.460 -10.034 1.869 1.00 0.00 C ATOM 359 O LEU A 22 -5.546 -9.631 2.297 1.00 0.00 O ATOM 360 CB LEU A 22 -3.555 -8.219 0.476 1.00 0.00 C ATOM 361 CG LEU A 22 -3.057 -7.764 -0.888 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.726 -6.262 -0.812 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.784 -8.526 -1.254 1.00 0.00 C ATOM 0 H LEU A 22 -5.515 -9.121 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.173 -10.296 0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.384 -7.585 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.761 -8.094 1.213 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.824 -7.953 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.367 -5.919 -1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.622 -5.705 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.954 -6.097 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.431 -8.197 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.015 -8.331 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.996 -9.595 -1.286 1.00 0.00 H new ATOM 375 N ASN A 23 -3.620 -10.782 2.583 1.00 0.00 N ATOM 376 CA ASN A 23 -3.937 -11.187 3.974 1.00 0.00 C ATOM 377 C ASN A 23 -4.197 -9.957 4.855 1.00 0.00 C ATOM 378 O ASN A 23 -3.761 -8.851 4.525 1.00 0.00 O ATOM 379 CB ASN A 23 -2.783 -11.997 4.592 1.00 0.00 C ATOM 380 CG ASN A 23 -2.339 -13.130 3.669 1.00 0.00 C ATOM 381 OD1 ASN A 23 -1.192 -13.568 3.736 1.00 0.00 O ATOM 382 ND2 ASN A 23 -3.178 -13.636 2.811 1.00 0.00 N ATOM 0 H ASN A 23 -2.723 -11.122 2.237 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.833 -11.806 3.932 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.939 -11.337 4.791 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.099 -12.409 5.550 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.883 -14.394 2.196 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.130 -13.274 2.754 1.00 0.00 H new ATOM 389 N ASN A 24 -4.913 -10.161 5.970 1.00 0.00 N ATOM 390 CA ASN A 24 -5.240 -9.065 6.898 1.00 0.00 C ATOM 391 C ASN A 24 -3.970 -8.358 7.384 1.00 0.00 C ATOM 392 O ASN A 24 -3.928 -7.127 7.478 1.00 0.00 O ATOM 393 CB ASN A 24 -6.009 -9.618 8.104 1.00 0.00 C ATOM 394 CG ASN A 24 -6.531 -8.470 8.964 1.00 0.00 C ATOM 395 OD1 ASN A 24 -5.974 -8.180 10.022 1.00 0.00 O ATOM 396 ND2 ASN A 24 -7.576 -7.796 8.571 1.00 0.00 N ATOM 0 H ASN A 24 -5.277 -11.071 6.252 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.857 -8.342 6.366 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.841 -10.235 7.763 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.358 -10.260 8.697 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.932 -7.028 9.141 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.038 -8.036 7.694 1.00 0.00 H new ATOM 403 N GLN A 25 -2.942 -9.154 7.677 1.00 0.00 N ATOM 404 CA GLN A 25 -1.661 -8.621 8.135 1.00 0.00 C ATOM 405 C GLN A 25 -0.933 -7.906 6.996 1.00 0.00 C ATOM 406 O GLN A 25 -0.337 -6.848 7.201 1.00 0.00 O ATOM 407 CB GLN A 25 -0.781 -9.761 8.672 1.00 0.00 C ATOM 408 CG GLN A 25 -1.413 -10.355 9.941 1.00 0.00 C ATOM 409 CD GLN A 25 -0.592 -11.543 10.456 1.00 0.00 C ATOM 410 OE1 GLN A 25 0.099 -12.214 9.687 1.00 0.00 O ATOM 411 NE2 GLN A 25 -0.631 -11.845 11.724 1.00 0.00 N ATOM 0 H GLN A 25 -2.972 -10.171 7.605 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.854 -7.903 8.932 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.671 -10.536 7.913 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.219 -9.387 8.894 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.476 -9.589 10.714 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.432 -10.677 9.728 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.202 -11.291 12.363 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.091 -12.635 12.077 1.00 0.00 H new ATOM 420 N GLN A 26 -0.977 -8.503 5.799 1.00 0.00 N ATOM 421 CA GLN A 26 -0.303 -7.933 4.629 1.00 0.00 C ATOM 422 C GLN A 26 -0.848 -6.546 4.270 1.00 0.00 C ATOM 423 O GLN A 26 -0.069 -5.640 3.958 1.00 0.00 O ATOM 424 CB GLN A 26 -0.457 -8.887 3.440 1.00 0.00 C ATOM 425 CG GLN A 26 0.359 -10.167 3.703 1.00 0.00 C ATOM 426 CD GLN A 26 0.182 -11.182 2.571 1.00 0.00 C ATOM 427 OE1 GLN A 26 0.988 -12.104 2.440 1.00 0.00 O ATOM 428 NE2 GLN A 26 -0.830 -11.088 1.753 1.00 0.00 N ATOM 0 H GLN A 26 -1.470 -9.377 5.617 1.00 0.00 H new ATOM 0 HA GLN A 26 0.752 -7.810 4.873 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.508 -9.136 3.293 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.113 -8.404 2.525 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.414 -9.914 3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.045 -10.613 4.647 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.501 -10.327 1.857 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.951 -11.776 1.010 1.00 0.00 H new ATOM 437 N LYS A 27 -2.176 -6.380 4.317 1.00 0.00 N ATOM 438 CA LYS A 27 -2.790 -5.086 3.993 1.00 0.00 C ATOM 439 C LYS A 27 -2.296 -4.012 4.960 1.00 0.00 C ATOM 440 O LYS A 27 -1.779 -2.970 4.546 1.00 0.00 O ATOM 441 CB LYS A 27 -4.320 -5.183 4.090 1.00 0.00 C ATOM 442 CG LYS A 27 -4.865 -6.090 2.978 1.00 0.00 C ATOM 443 CD LYS A 27 -6.381 -6.281 3.162 1.00 0.00 C ATOM 444 CE LYS A 27 -7.142 -5.022 2.706 1.00 0.00 C ATOM 445 NZ LYS A 27 -7.933 -5.329 1.477 1.00 0.00 N ATOM 0 H LYS A 27 -2.837 -7.113 4.572 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.507 -4.818 2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.606 -5.579 5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.761 -4.189 4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.660 -5.649 2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.361 -7.056 3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.717 -7.144 2.588 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.603 -6.488 4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.805 -4.678 3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.439 -4.213 2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.121 -4.449 0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.395 -5.981 0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.835 -5.771 1.746 1.00 0.00 H new ATOM 459 N ARG A 28 -2.461 -4.292 6.249 1.00 0.00 N ATOM 460 CA ARG A 28 -2.038 -3.371 7.302 1.00 0.00 C ATOM 461 C ARG A 28 -0.525 -3.134 7.255 1.00 0.00 C ATOM 462 O ARG A 28 -0.055 -2.039 7.572 1.00 0.00 O ATOM 463 CB ARG A 28 -2.429 -3.946 8.672 1.00 0.00 C ATOM 464 CG ARG A 28 -3.961 -3.976 8.812 1.00 0.00 C ATOM 465 CD ARG A 28 -4.350 -4.569 10.172 1.00 0.00 C ATOM 466 NE ARG A 28 -3.960 -5.982 10.239 1.00 0.00 N ATOM 467 CZ ARG A 28 -3.822 -6.630 11.401 1.00 0.00 C ATOM 468 NH1 ARG A 28 -4.043 -6.023 12.536 1.00 0.00 N ATOM 469 NH2 ARG A 28 -3.472 -7.884 11.400 1.00 0.00 N ATOM 0 H ARG A 28 -2.887 -5.153 6.592 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.537 -2.415 7.144 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.026 -4.953 8.782 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.995 -3.340 9.467 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.363 -2.967 8.717 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.397 -4.570 8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.864 -4.012 10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.425 -4.473 10.325 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.788 -6.487 9.370 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.325 -5.043 12.544 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.934 -6.529 13.415 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.305 -8.366 10.517 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.365 -8.384 12.282 1.00 0.00 H new ATOM 483 N ALA A 29 0.227 -4.177 6.886 1.00 0.00 N ATOM 484 CA ALA A 29 1.690 -4.094 6.831 1.00 0.00 C ATOM 485 C ALA A 29 2.173 -3.029 5.839 1.00 0.00 C ATOM 486 O ALA A 29 3.007 -2.191 6.196 1.00 0.00 O ATOM 487 CB ALA A 29 2.273 -5.460 6.449 1.00 0.00 C ATOM 0 H ALA A 29 -0.153 -5.086 6.622 1.00 0.00 H new ATOM 0 HA ALA A 29 2.039 -3.802 7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.360 -5.393 6.409 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.982 -6.201 7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.892 -5.758 5.472 1.00 0.00 H new ATOM 493 N PHE A 30 1.665 -3.066 4.598 1.00 0.00 N ATOM 494 CA PHE A 30 2.089 -2.088 3.587 1.00 0.00 C ATOM 495 C PHE A 30 1.773 -0.655 4.026 1.00 0.00 C ATOM 496 O PHE A 30 2.661 0.202 4.038 1.00 0.00 O ATOM 497 CB PHE A 30 1.415 -2.384 2.239 1.00 0.00 C ATOM 498 CG PHE A 30 2.097 -3.566 1.577 1.00 0.00 C ATOM 499 CD1 PHE A 30 3.443 -3.467 1.196 1.00 0.00 C ATOM 500 CD2 PHE A 30 1.392 -4.755 1.341 1.00 0.00 C ATOM 501 CE1 PHE A 30 4.081 -4.549 0.583 1.00 0.00 C ATOM 502 CE2 PHE A 30 2.033 -5.837 0.727 1.00 0.00 C ATOM 503 CZ PHE A 30 3.378 -5.734 0.347 1.00 0.00 C ATOM 0 H PHE A 30 0.976 -3.746 4.276 1.00 0.00 H new ATOM 0 HA PHE A 30 3.170 -2.177 3.475 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.357 -2.599 2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.473 -1.509 1.592 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.988 -2.552 1.377 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.355 -4.836 1.633 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.118 -4.469 0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.490 -6.753 0.546 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.871 -6.569 -0.128 1.00 0.00 H new ATOM 513 N ILE A 31 0.511 -0.403 4.387 1.00 0.00 N ATOM 514 CA ILE A 31 0.096 0.931 4.830 1.00 0.00 C ATOM 515 C ILE A 31 0.908 1.377 6.057 1.00 0.00 C ATOM 516 O ILE A 31 1.220 2.563 6.195 1.00 0.00 O ATOM 517 CB ILE A 31 -1.425 0.958 5.104 1.00 0.00 C ATOM 518 CG1 ILE A 31 -2.168 0.797 3.751 1.00 0.00 C ATOM 519 CG2 ILE A 31 -1.815 2.291 5.773 1.00 0.00 C ATOM 520 CD1 ILE A 31 -3.698 0.858 3.928 1.00 0.00 C ATOM 0 H ILE A 31 -0.235 -1.099 4.381 1.00 0.00 H new ATOM 0 HA ILE A 31 0.301 1.645 4.032 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.701 0.145 5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.850 1.583 3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.892 -0.154 3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.888 2.302 5.963 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.278 2.395 6.716 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.554 3.119 5.114 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.181 0.741 2.958 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.020 0.056 4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.976 1.820 4.359 1.00 0.00 H new ATOM 532 N ARG A 32 1.275 0.429 6.931 1.00 0.00 N ATOM 533 CA ARG A 32 2.087 0.768 8.106 1.00 0.00 C ATOM 534 C ARG A 32 3.456 1.269 7.639 1.00 0.00 C ATOM 535 O ARG A 32 3.969 2.286 8.125 1.00 0.00 O ATOM 536 CB ARG A 32 2.260 -0.460 9.012 1.00 0.00 C ATOM 537 CG ARG A 32 2.984 -0.057 10.309 1.00 0.00 C ATOM 538 CD ARG A 32 3.176 -1.288 11.204 1.00 0.00 C ATOM 539 NE ARG A 32 3.749 -0.890 12.493 1.00 0.00 N ATOM 540 CZ ARG A 32 3.970 -1.769 13.475 1.00 0.00 C ATOM 541 NH1 ARG A 32 3.685 -3.034 13.316 1.00 0.00 N ATOM 542 NH2 ARG A 32 4.477 -1.361 14.603 1.00 0.00 N ATOM 0 H ARG A 32 1.029 -0.557 6.850 1.00 0.00 H new ATOM 0 HA ARG A 32 1.584 1.548 8.678 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.286 -0.889 9.247 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.830 -1.229 8.491 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.951 0.386 10.073 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.406 0.701 10.838 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.219 -1.786 11.361 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.832 -2.006 10.712 1.00 0.00 H new ATOM 0 HE ARG A 32 3.987 0.090 12.646 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.289 -3.361 12.435 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.858 -3.695 14.073 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.703 -0.375 14.733 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.648 -2.027 15.356 1.00 0.00 H new ATOM 556 N SER A 33 4.022 0.545 6.665 1.00 0.00 N ATOM 557 CA SER A 33 5.319 0.901 6.088 1.00 0.00 C ATOM 558 C SER A 33 5.244 2.281 5.433 1.00 0.00 C ATOM 559 O SER A 33 6.233 3.020 5.416 1.00 0.00 O ATOM 560 CB SER A 33 5.745 -0.149 5.055 1.00 0.00 C ATOM 561 OG SER A 33 7.098 0.080 4.678 1.00 0.00 O ATOM 0 H SER A 33 3.599 -0.291 6.262 1.00 0.00 H new ATOM 0 HA SER A 33 6.061 0.930 6.886 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.637 -1.150 5.472 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.098 -0.097 4.179 1.00 0.00 H new ATOM 0 HG SER A 33 7.471 -0.737 4.287 1.00 0.00 H new ATOM 567 N LEU A 34 4.058 2.625 4.903 1.00 0.00 N ATOM 568 CA LEU A 34 3.844 3.929 4.259 1.00 0.00 C ATOM 569 C LEU A 34 4.261 5.051 5.215 1.00 0.00 C ATOM 570 O LEU A 34 5.057 5.925 4.860 1.00 0.00 O ATOM 571 CB LEU A 34 2.348 4.105 3.894 1.00 0.00 C ATOM 572 CG LEU A 34 2.134 4.402 2.398 1.00 0.00 C ATOM 573 CD1 LEU A 34 2.944 5.638 1.964 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.530 3.171 1.567 1.00 0.00 C ATOM 0 H LEU A 34 3.237 2.020 4.908 1.00 0.00 H new ATOM 0 HA LEU A 34 4.445 3.974 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.803 3.200 4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.927 4.918 4.486 1.00 0.00 H new ATOM 0 HG LEU A 34 1.080 4.620 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.777 5.828 0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.624 6.504 2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.005 5.457 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.378 3.382 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.580 2.935 1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.913 2.321 1.859 1.00 0.00 H new ATOM 586 N TYR A 35 3.719 4.994 6.436 1.00 0.00 N ATOM 587 CA TYR A 35 4.028 5.982 7.465 1.00 0.00 C ATOM 588 C TYR A 35 5.515 5.932 7.815 1.00 0.00 C ATOM 589 O TYR A 35 6.144 6.972 8.033 1.00 0.00 O ATOM 590 CB TYR A 35 3.183 5.711 8.721 1.00 0.00 C ATOM 591 CG TYR A 35 3.393 6.817 9.741 1.00 0.00 C ATOM 592 CD1 TYR A 35 2.651 8.004 9.652 1.00 0.00 C ATOM 593 CD2 TYR A 35 4.329 6.655 10.773 1.00 0.00 C ATOM 594 CE1 TYR A 35 2.845 9.024 10.592 1.00 0.00 C ATOM 595 CE2 TYR A 35 4.521 7.677 11.712 1.00 0.00 C ATOM 596 CZ TYR A 35 3.779 8.860 11.621 1.00 0.00 C ATOM 597 OH TYR A 35 3.969 9.865 12.548 1.00 0.00 O ATOM 0 H TYR A 35 3.063 4.271 6.732 1.00 0.00 H new ATOM 0 HA TYR A 35 3.791 6.975 7.083 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.128 5.649 8.453 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.459 4.749 9.154 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.930 8.131 8.858 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.902 5.742 10.844 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.273 9.938 10.523 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.242 7.552 12.506 1.00 0.00 H new ATOM 0 HH TYR A 35 4.652 9.589 13.194 1.00 0.00 H new ATOM 607 N ASP A 36 6.065 4.711 7.871 1.00 0.00 N ATOM 608 CA ASP A 36 7.481 4.523 8.203 1.00 0.00 C ATOM 609 C ASP A 36 8.381 5.270 7.213 1.00 0.00 C ATOM 610 O ASP A 36 9.399 5.844 7.609 1.00 0.00 O ATOM 611 CB ASP A 36 7.835 3.030 8.198 1.00 0.00 C ATOM 612 CG ASP A 36 9.252 2.826 8.739 1.00 0.00 C ATOM 613 OD1 ASP A 36 9.401 2.766 9.950 1.00 0.00 O ATOM 614 OD2 ASP A 36 10.168 2.735 7.937 1.00 0.00 O ATOM 0 H ASP A 36 5.554 3.846 7.692 1.00 0.00 H new ATOM 0 HA ASP A 36 7.649 4.930 9.200 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.121 2.477 8.808 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.763 2.634 7.185 1.00 0.00 H new ATOM 619 N ASP A 37 7.998 5.260 5.928 1.00 0.00 N ATOM 620 CA ASP A 37 8.781 5.947 4.893 1.00 0.00 C ATOM 621 C ASP A 37 7.971 6.089 3.588 1.00 0.00 C ATOM 622 O ASP A 37 7.812 5.108 2.851 1.00 0.00 O ATOM 623 CB ASP A 37 10.088 5.169 4.612 1.00 0.00 C ATOM 624 CG ASP A 37 11.302 6.090 4.778 1.00 0.00 C ATOM 625 OD1 ASP A 37 11.533 6.899 3.892 1.00 0.00 O ATOM 626 OD2 ASP A 37 11.979 5.975 5.789 1.00 0.00 O ATOM 0 H ASP A 37 7.161 4.790 5.584 1.00 0.00 H new ATOM 0 HA ASP A 37 9.023 6.945 5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.169 4.323 5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.067 4.763 3.601 1.00 0.00 H new ATOM 631 N PRO A 38 7.474 7.278 3.266 1.00 0.00 N ATOM 632 CA PRO A 38 6.699 7.495 2.001 1.00 0.00 C ATOM 633 C PRO A 38 7.572 7.244 0.772 1.00 0.00 C ATOM 634 O PRO A 38 7.065 7.071 -0.338 1.00 0.00 O ATOM 635 CB PRO A 38 6.249 8.961 2.076 1.00 0.00 C ATOM 636 CG PRO A 38 7.186 9.611 3.035 1.00 0.00 C ATOM 637 CD PRO A 38 7.590 8.533 4.040 1.00 0.00 C ATOM 0 HA PRO A 38 5.856 6.810 1.907 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.295 9.437 1.097 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.218 9.039 2.420 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.060 10.006 2.517 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.707 10.451 3.538 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.605 8.686 4.406 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.934 8.530 4.910 1.00 0.00 H new ATOM 645 N SER A 39 8.890 7.232 0.994 1.00 0.00 N ATOM 646 CA SER A 39 9.859 7.005 -0.075 1.00 0.00 C ATOM 647 C SER A 39 9.604 5.666 -0.771 1.00 0.00 C ATOM 648 O SER A 39 9.841 5.536 -1.975 1.00 0.00 O ATOM 649 CB SER A 39 11.280 7.012 0.504 1.00 0.00 C ATOM 650 OG SER A 39 11.454 8.163 1.324 1.00 0.00 O ATOM 0 H SER A 39 9.309 7.378 1.912 1.00 0.00 H new ATOM 0 HA SER A 39 9.752 7.805 -0.807 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.450 6.108 1.088 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.013 7.013 -0.303 1.00 0.00 H new ATOM 0 HG SER A 39 11.515 7.889 2.263 1.00 0.00 H new ATOM 656 N GLN A 40 9.128 4.672 -0.004 1.00 0.00 N ATOM 657 CA GLN A 40 8.854 3.344 -0.550 1.00 0.00 C ATOM 658 C GLN A 40 7.397 3.220 -0.999 1.00 0.00 C ATOM 659 O GLN A 40 7.013 2.183 -1.528 1.00 0.00 O ATOM 660 CB GLN A 40 9.146 2.266 0.514 1.00 0.00 C ATOM 661 CG GLN A 40 10.562 2.432 1.084 1.00 0.00 C ATOM 662 CD GLN A 40 11.613 2.291 -0.018 1.00 0.00 C ATOM 663 OE1 GLN A 40 11.672 1.264 -0.694 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.450 3.267 -0.239 1.00 0.00 N ATOM 0 H GLN A 40 8.927 4.768 0.992 1.00 0.00 H new ATOM 0 HA GLN A 40 9.501 3.199 -1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.415 2.336 1.319 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.041 1.275 0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.655 3.409 1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.737 1.684 1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.401 4.118 0.321 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.154 3.179 -0.972 1.00 0.00 H new ATOM 673 N SER A 41 6.588 4.270 -0.783 1.00 0.00 N ATOM 674 CA SER A 41 5.160 4.238 -1.161 1.00 0.00 C ATOM 675 C SER A 41 4.959 3.678 -2.571 1.00 0.00 C ATOM 676 O SER A 41 4.005 2.932 -2.814 1.00 0.00 O ATOM 677 CB SER A 41 4.553 5.644 -1.076 1.00 0.00 C ATOM 678 OG SER A 41 3.159 5.583 -1.365 1.00 0.00 O ATOM 0 H SER A 41 6.891 5.144 -0.353 1.00 0.00 H new ATOM 0 HA SER A 41 4.653 3.578 -0.457 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.710 6.059 -0.080 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.052 6.309 -1.781 1.00 0.00 H new ATOM 0 HG SER A 41 2.774 6.482 -1.308 1.00 0.00 H new ATOM 684 N ALA A 42 5.867 4.023 -3.483 1.00 0.00 N ATOM 685 CA ALA A 42 5.786 3.530 -4.855 1.00 0.00 C ATOM 686 C ALA A 42 6.047 2.021 -4.885 1.00 0.00 C ATOM 687 O ALA A 42 5.321 1.265 -5.540 1.00 0.00 O ATOM 688 CB ALA A 42 6.814 4.252 -5.734 1.00 0.00 C ATOM 0 H ALA A 42 6.660 4.637 -3.298 1.00 0.00 H new ATOM 0 HA ALA A 42 4.786 3.727 -5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.746 3.878 -6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.611 5.323 -5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.816 4.069 -5.346 1.00 0.00 H new ATOM 694 N ASN A 43 7.092 1.597 -4.163 1.00 0.00 N ATOM 695 CA ASN A 43 7.464 0.181 -4.094 1.00 0.00 C ATOM 696 C ASN A 43 6.409 -0.630 -3.346 1.00 0.00 C ATOM 697 O ASN A 43 6.000 -1.687 -3.809 1.00 0.00 O ATOM 698 CB ASN A 43 8.807 0.015 -3.366 1.00 0.00 C ATOM 699 CG ASN A 43 9.928 0.782 -4.067 1.00 0.00 C ATOM 700 OD1 ASN A 43 9.816 1.145 -5.240 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.018 1.043 -3.404 1.00 0.00 N ATOM 0 H ASN A 43 7.694 2.215 -3.619 1.00 0.00 H new ATOM 0 HA ASN A 43 7.543 -0.184 -5.118 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.711 0.369 -2.339 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.066 -1.043 -3.316 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.781 1.548 -3.855 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.109 0.742 -2.434 1.00 0.00 H new ATOM 708 N LEU A 44 5.992 -0.129 -2.179 1.00 0.00 N ATOM 709 CA LEU A 44 5.000 -0.813 -1.340 1.00 0.00 C ATOM 710 C LEU A 44 3.707 -1.080 -2.123 1.00 0.00 C ATOM 711 O LEU A 44 3.142 -2.174 -2.045 1.00 0.00 O ATOM 712 CB LEU A 44 4.671 0.048 -0.115 1.00 0.00 C ATOM 713 CG LEU A 44 5.937 0.347 0.732 1.00 0.00 C ATOM 714 CD1 LEU A 44 5.621 1.436 1.771 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.410 -0.913 1.465 1.00 0.00 C ATOM 0 H LEU A 44 6.328 0.753 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 44 5.426 -1.766 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.220 0.986 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.933 -0.464 0.502 1.00 0.00 H new ATOM 0 HG LEU A 44 6.725 0.686 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.512 1.643 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.305 2.346 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.821 1.092 2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.298 -0.680 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.620 -1.267 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.649 -1.689 0.738 1.00 0.00 H new ATOM 727 N LEU A 45 3.255 -0.074 -2.882 1.00 0.00 N ATOM 728 CA LEU A 45 2.040 -0.210 -3.693 1.00 0.00 C ATOM 729 C LEU A 45 2.232 -1.322 -4.724 1.00 0.00 C ATOM 730 O LEU A 45 1.410 -2.240 -4.838 1.00 0.00 O ATOM 731 CB LEU A 45 1.746 1.132 -4.390 1.00 0.00 C ATOM 732 CG LEU A 45 0.664 0.977 -5.484 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.643 0.451 -4.877 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.406 2.341 -6.142 1.00 0.00 C ATOM 0 H LEU A 45 3.709 0.837 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 45 1.195 -0.472 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.416 1.862 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.662 1.520 -4.835 1.00 0.00 H new ATOM 0 HG LEU A 45 1.018 0.264 -6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.393 0.348 -5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.465 -0.520 -4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.001 1.151 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.356 2.234 -6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.063 3.050 -5.388 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.328 2.708 -6.592 1.00 0.00 H new ATOM 746 N ALA A 46 3.346 -1.233 -5.452 1.00 0.00 N ATOM 747 CA ALA A 46 3.688 -2.239 -6.470 1.00 0.00 C ATOM 748 C ALA A 46 3.823 -3.618 -5.817 1.00 0.00 C ATOM 749 O ALA A 46 3.391 -4.634 -6.369 1.00 0.00 O ATOM 750 CB ALA A 46 5.009 -1.863 -7.149 1.00 0.00 C ATOM 0 H ALA A 46 4.027 -0.479 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 46 2.894 -2.271 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.257 -2.611 -7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.908 -0.888 -7.626 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.803 -1.822 -6.403 1.00 0.00 H new ATOM 756 N GLU A 47 4.410 -3.619 -4.622 1.00 0.00 N ATOM 757 CA GLU A 47 4.596 -4.836 -3.850 1.00 0.00 C ATOM 758 C GLU A 47 3.239 -5.444 -3.495 1.00 0.00 C ATOM 759 O GLU A 47 3.089 -6.665 -3.478 1.00 0.00 O ATOM 760 CB GLU A 47 5.394 -4.518 -2.576 1.00 0.00 C ATOM 761 CG GLU A 47 6.896 -4.393 -2.902 1.00 0.00 C ATOM 762 CD GLU A 47 7.493 -5.760 -3.260 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.437 -6.652 -2.426 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.013 -5.895 -4.357 1.00 0.00 O ATOM 0 H GLU A 47 4.767 -2.779 -4.167 1.00 0.00 H new ATOM 0 HA GLU A 47 5.152 -5.561 -4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.032 -3.589 -2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.240 -5.304 -1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.036 -3.702 -3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.425 -3.974 -2.046 1.00 0.00 H new ATOM 771 N ALA A 48 2.244 -4.584 -3.233 1.00 0.00 N ATOM 772 CA ALA A 48 0.895 -5.057 -2.905 1.00 0.00 C ATOM 773 C ALA A 48 0.324 -5.832 -4.087 1.00 0.00 C ATOM 774 O ALA A 48 -0.252 -6.910 -3.915 1.00 0.00 O ATOM 775 CB ALA A 48 -0.017 -3.878 -2.555 1.00 0.00 C ATOM 0 H ALA A 48 2.347 -3.569 -3.242 1.00 0.00 H new ATOM 0 HA ALA A 48 0.952 -5.715 -2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.014 -4.248 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.390 -3.346 -1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.077 -3.200 -3.406 1.00 0.00 H new ATOM 781 N LYS A 49 0.512 -5.287 -5.292 1.00 0.00 N ATOM 782 CA LYS A 49 0.043 -5.941 -6.497 1.00 0.00 C ATOM 783 C LYS A 49 0.755 -7.285 -6.677 1.00 0.00 C ATOM 784 O LYS A 49 0.141 -8.271 -7.092 1.00 0.00 O ATOM 785 CB LYS A 49 0.309 -5.030 -7.687 1.00 0.00 C ATOM 786 CG LYS A 49 -0.429 -5.554 -8.915 1.00 0.00 C ATOM 787 CD LYS A 49 -0.618 -4.405 -9.909 1.00 0.00 C ATOM 788 CE LYS A 49 -1.903 -3.623 -9.586 1.00 0.00 C ATOM 789 NZ LYS A 49 -3.053 -4.231 -10.316 1.00 0.00 N ATOM 0 H LYS A 49 0.985 -4.397 -5.450 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.027 -6.132 -6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.019 -4.015 -7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.379 -4.982 -7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.136 -6.363 -9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.396 -5.965 -8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.242 -3.736 -9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.670 -4.799 -10.924 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.091 -3.639 -8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.787 -2.578 -9.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.922 -3.702 -10.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.873 -4.194 -11.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.167 -5.222 -10.020 1.00 0.00 H new ATOM 803 N LYS A 50 2.053 -7.309 -6.344 1.00 0.00 N ATOM 804 CA LYS A 50 2.855 -8.527 -6.448 1.00 0.00 C ATOM 805 C LYS A 50 2.297 -9.605 -5.518 1.00 0.00 C ATOM 806 O LYS A 50 2.148 -10.765 -5.915 1.00 0.00 O ATOM 807 CB LYS A 50 4.306 -8.213 -6.066 1.00 0.00 C ATOM 808 CG LYS A 50 5.210 -9.407 -6.406 1.00 0.00 C ATOM 809 CD LYS A 50 6.672 -9.053 -6.095 1.00 0.00 C ATOM 810 CE LYS A 50 6.942 -9.191 -4.590 1.00 0.00 C ATOM 811 NZ LYS A 50 8.338 -8.755 -4.295 1.00 0.00 N ATOM 0 H LYS A 50 2.566 -6.497 -6.001 1.00 0.00 H new ATOM 0 HA LYS A 50 2.818 -8.895 -7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.647 -7.325 -6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.370 -7.990 -5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.907 -10.281 -5.830 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.105 -9.667 -7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.339 -9.709 -6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.884 -8.034 -6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.233 -8.586 -4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.798 -10.225 -4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.562 -8.958 -3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.000 -9.269 -4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.426 -7.733 -4.468 1.00 0.00 H new ATOM 825 N LEU A 51 1.981 -9.199 -4.284 1.00 0.00 N ATOM 826 CA LEU A 51 1.422 -10.110 -3.282 1.00 0.00 C ATOM 827 C LEU A 51 0.095 -10.682 -3.787 1.00 0.00 C ATOM 828 O LEU A 51 -0.144 -11.890 -3.695 1.00 0.00 O ATOM 829 CB LEU A 51 1.216 -9.350 -1.954 1.00 0.00 C ATOM 830 CG LEU A 51 2.486 -9.376 -1.056 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.419 -10.577 -0.113 1.00 0.00 C ATOM 832 CD2 LEU A 51 3.792 -9.450 -1.878 1.00 0.00 C ATOM 0 H LEU A 51 2.104 -8.241 -3.955 1.00 0.00 H new ATOM 0 HA LEU A 51 2.112 -10.936 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.946 -8.316 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.381 -9.792 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 51 2.503 -8.443 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.309 -10.596 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.532 -10.497 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.369 -11.496 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.647 -9.466 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.791 -10.357 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.861 -8.580 -2.530 1.00 0.00 H new ATOM 844 N ASN A 52 -0.748 -9.803 -4.342 1.00 0.00 N ATOM 845 CA ASN A 52 -2.042 -10.214 -4.894 1.00 0.00 C ATOM 846 C ASN A 52 -1.842 -11.248 -6.006 1.00 0.00 C ATOM 847 O ASN A 52 -2.517 -12.279 -6.033 1.00 0.00 O ATOM 848 CB ASN A 52 -2.783 -8.977 -5.434 1.00 0.00 C ATOM 849 CG ASN A 52 -3.816 -9.350 -6.505 1.00 0.00 C ATOM 850 OD1 ASN A 52 -3.511 -9.320 -7.697 1.00 0.00 O ATOM 851 ND2 ASN A 52 -5.017 -9.699 -6.148 1.00 0.00 N ATOM 0 H ASN A 52 -0.557 -8.804 -4.420 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.640 -10.673 -4.107 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.282 -8.465 -4.611 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.061 -8.277 -5.854 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.707 -9.948 -6.856 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.268 -9.723 -5.160 1.00 0.00 H new ATOM 858 N ASP A 53 -0.910 -10.957 -6.914 1.00 0.00 N ATOM 859 CA ASP A 53 -0.618 -11.857 -8.029 1.00 0.00 C ATOM 860 C ASP A 53 -0.114 -13.206 -7.525 1.00 0.00 C ATOM 861 O ASP A 53 -0.407 -14.248 -8.119 1.00 0.00 O ATOM 862 CB ASP A 53 0.441 -11.225 -8.939 1.00 0.00 C ATOM 863 CG ASP A 53 0.644 -12.074 -10.197 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.125 -11.909 -11.131 1.00 0.00 O ATOM 865 OD2 ASP A 53 1.563 -12.879 -10.207 1.00 0.00 O ATOM 0 H ASP A 53 -0.346 -10.107 -6.899 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.539 -12.018 -8.589 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.134 -10.217 -9.219 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.384 -11.132 -8.400 1.00 0.00 H new ATOM 870 N ALA A 54 0.670 -13.170 -6.447 1.00 0.00 N ATOM 871 CA ALA A 54 1.246 -14.388 -5.888 1.00 0.00 C ATOM 872 C ALA A 54 0.189 -15.281 -5.228 1.00 0.00 C ATOM 873 O ALA A 54 0.116 -16.479 -5.516 1.00 0.00 O ATOM 874 CB ALA A 54 2.310 -14.018 -4.847 1.00 0.00 C ATOM 0 H ALA A 54 0.918 -12.316 -5.948 1.00 0.00 H new ATOM 0 HA ALA A 54 1.689 -14.948 -6.711 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.741 -14.927 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.095 -13.430 -5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.851 -13.434 -4.049 1.00 0.00 H new ATOM 880 N GLN A 55 -0.603 -14.694 -4.327 1.00 0.00 N ATOM 881 CA GLN A 55 -1.639 -15.443 -3.599 1.00 0.00 C ATOM 882 C GLN A 55 -2.825 -15.816 -4.491 1.00 0.00 C ATOM 883 O GLN A 55 -3.514 -16.803 -4.220 1.00 0.00 O ATOM 884 CB GLN A 55 -2.133 -14.630 -2.394 1.00 0.00 C ATOM 885 CG GLN A 55 -0.991 -14.445 -1.388 1.00 0.00 C ATOM 886 CD GLN A 55 -1.455 -13.545 -0.254 1.00 0.00 C ATOM 887 OE1 GLN A 55 -1.171 -13.813 0.911 1.00 0.00 O ATOM 888 NE2 GLN A 55 -2.155 -12.480 -0.534 1.00 0.00 N ATOM 0 H GLN A 55 -0.550 -13.705 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.181 -16.371 -3.257 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.499 -13.658 -2.725 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.970 -15.141 -1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.679 -15.412 -0.994 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.124 -14.007 -1.882 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.388 -12.263 -1.503 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.470 -11.865 0.216 1.00 0.00 H new ATOM 897 N ALA A 56 -3.074 -15.015 -5.533 1.00 0.00 N ATOM 898 CA ALA A 56 -4.200 -15.264 -6.439 1.00 0.00 C ATOM 899 C ALA A 56 -4.126 -16.672 -7.056 1.00 0.00 C ATOM 900 O ALA A 56 -3.035 -17.179 -7.327 1.00 0.00 O ATOM 901 CB ALA A 56 -4.217 -14.212 -7.555 1.00 0.00 C ATOM 0 H ALA A 56 -2.515 -14.195 -5.769 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.119 -15.196 -5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.056 -14.404 -8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.322 -13.219 -7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.285 -14.264 -8.118 1.00 0.00 H new ATOM 907 N PRO A 57 -5.265 -17.306 -7.277 1.00 0.00 N ATOM 908 CA PRO A 57 -5.324 -18.678 -7.867 1.00 0.00 C ATOM 909 C PRO A 57 -4.705 -18.728 -9.263 1.00 0.00 C ATOM 910 O PRO A 57 -4.401 -17.688 -9.855 1.00 0.00 O ATOM 911 CB PRO A 57 -6.824 -19.018 -7.906 1.00 0.00 C ATOM 912 CG PRO A 57 -7.540 -17.713 -7.773 1.00 0.00 C ATOM 913 CD PRO A 57 -6.616 -16.783 -6.999 1.00 0.00 C ATOM 0 HA PRO A 57 -4.751 -19.395 -7.279 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.088 -19.516 -8.839 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.093 -19.696 -7.096 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.774 -17.298 -8.754 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.486 -17.843 -7.248 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.720 -15.750 -7.332 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.838 -16.798 -5.932 1.00 0.00 H new ATOM 921 N LYS A 58 -4.531 -19.949 -9.770 1.00 0.00 N ATOM 922 CA LYS A 58 -3.955 -20.168 -11.096 1.00 0.00 C ATOM 923 C LYS A 58 -2.516 -19.602 -11.167 1.00 0.00 C ATOM 924 O LYS A 58 -2.157 -19.004 -12.177 1.00 0.00 O ATOM 925 CB LYS A 58 -4.870 -19.523 -12.155 1.00 0.00 C ATOM 926 CG LYS A 58 -4.662 -20.215 -13.510 1.00 0.00 C ATOM 927 CD LYS A 58 -5.390 -19.437 -14.622 1.00 0.00 C ATOM 928 CE LYS A 58 -4.770 -18.039 -14.804 1.00 0.00 C ATOM 929 NZ LYS A 58 -3.278 -18.130 -14.797 1.00 0.00 N ATOM 930 OXT LYS A 58 -1.786 -19.788 -10.205 1.00 0.00 O ATOM 0 H LYS A 58 -4.783 -20.806 -9.278 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.888 -21.238 -11.295 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.913 -19.608 -11.849 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.649 -18.459 -12.241 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.597 -20.276 -13.736 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.037 -21.237 -13.466 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.331 -19.991 -15.559 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.447 -19.342 -14.374 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.110 -17.602 -15.743 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.105 -17.378 -14.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.874 -17.234 -15.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.946 -18.315 -13.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.975 -18.905 -15.421 1.00 0.00 H new