USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 423 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 SER OG : rot 180:sc= 0.167 USER MOD Set 1.2: A 40 GLN : amide:sc= -2.22 X(o=-2,f=-1.9) USER MOD Set 2.1: A 23 ASN :FLIP amide:sc= -0.475 F(o=-4.8,f=-3.7) USER MOD Set 2.2: A 26 GLN :FLIP amide:sc= -2.45! C(o=-9.5!,f=-3.7!) USER MOD Set 2.3: A 55 GLN :FLIP amide:sc= -0.756 F(o=-6.2!,f=-3.7) USER MOD Set 3.1: A 21 ASN : amide:sc= 0.123 K(o=-0.32,f=-1.7!) USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -0.445 F(o=-5!,f=-0.32) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 159:sc= 0 (180deg=-0.397) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.0212 K(o=0.021,f=-1) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -141:sc= 2.04 (180deg=-0.92) USER MOD Single : A 33 SER OG : rot -17:sc= 1.06 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 107:sc= 0.641 USER MOD Single : A 43 ASN : amide:sc=-0.00322 K(o=-0.0032,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= 0.848 (180deg=0.751) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 1.701 -10.729 -9.859 1.00 0.00 N ATOM 100 CA LYS A 7 2.103 -11.592 -8.740 1.00 0.00 C ATOM 101 C LYS A 7 2.576 -10.796 -7.517 1.00 0.00 C ATOM 102 O LYS A 7 2.257 -11.155 -6.381 1.00 0.00 O ATOM 103 CB LYS A 7 3.196 -12.562 -9.187 1.00 0.00 C ATOM 104 CG LYS A 7 2.546 -13.641 -10.054 1.00 0.00 C ATOM 105 CD LYS A 7 3.551 -14.747 -10.369 1.00 0.00 C ATOM 106 CE LYS A 7 2.841 -15.832 -11.176 1.00 0.00 C ATOM 107 NZ LYS A 7 3.709 -17.042 -11.264 1.00 0.00 N ATOM 0 HA LYS A 7 1.217 -12.149 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.967 -12.035 -9.749 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.684 -13.011 -8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.683 -14.061 -9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.179 -13.200 -10.981 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.392 -14.345 -10.933 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.956 -15.165 -9.447 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.892 -16.087 -10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.612 -15.464 -12.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.223 -17.779 -11.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.604 -16.794 -11.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.906 -17.398 -10.307 1.00 0.00 H new ATOM 121 N GLU A 8 3.343 -9.731 -7.749 1.00 0.00 N ATOM 122 CA GLU A 8 3.866 -8.915 -6.647 1.00 0.00 C ATOM 123 C GLU A 8 2.744 -8.256 -5.833 1.00 0.00 C ATOM 124 O GLU A 8 2.875 -8.095 -4.617 1.00 0.00 O ATOM 125 CB GLU A 8 4.811 -7.836 -7.195 1.00 0.00 C ATOM 126 CG GLU A 8 6.094 -8.494 -7.725 1.00 0.00 C ATOM 127 CD GLU A 8 7.062 -7.425 -8.238 1.00 0.00 C ATOM 128 OE1 GLU A 8 6.870 -6.964 -9.352 1.00 0.00 O ATOM 129 OE2 GLU A 8 7.981 -7.083 -7.509 1.00 0.00 O ATOM 0 H GLU A 8 3.615 -9.413 -8.679 1.00 0.00 H new ATOM 0 HA GLU A 8 4.412 -9.581 -5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.320 -7.279 -7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.055 -7.120 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.568 -9.074 -6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.850 -9.190 -8.528 1.00 0.00 H new ATOM 136 N MET A 9 1.656 -7.864 -6.506 1.00 0.00 N ATOM 137 CA MET A 9 0.529 -7.202 -5.829 1.00 0.00 C ATOM 138 C MET A 9 -0.054 -8.087 -4.726 1.00 0.00 C ATOM 139 O MET A 9 -0.558 -7.575 -3.726 1.00 0.00 O ATOM 140 CB MET A 9 -0.590 -6.865 -6.832 1.00 0.00 C ATOM 141 CG MET A 9 -0.044 -6.063 -8.022 1.00 0.00 C ATOM 142 SD MET A 9 1.027 -4.722 -7.441 1.00 0.00 S ATOM 143 CE MET A 9 2.107 -4.632 -8.896 1.00 0.00 C ATOM 0 H MET A 9 1.530 -7.991 -7.510 1.00 0.00 H new ATOM 0 HA MET A 9 0.917 -6.284 -5.387 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.050 -7.786 -7.191 1.00 0.00 H new ATOM 0 HB3 MET A 9 -1.371 -6.292 -6.331 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.515 -6.721 -8.687 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.870 -5.652 -8.602 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.593 -3.657 -8.928 1.00 0.00 H new ATOM 0 HE2 MET A 9 2.864 -5.414 -8.836 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.513 -4.771 -9.799 1.00 0.00 H new ATOM 153 N ARG A 10 0.003 -9.410 -4.913 1.00 0.00 N ATOM 154 CA ARG A 10 -0.538 -10.345 -3.917 1.00 0.00 C ATOM 155 C ARG A 10 0.099 -10.098 -2.544 1.00 0.00 C ATOM 156 O ARG A 10 -0.565 -10.220 -1.512 1.00 0.00 O ATOM 157 CB ARG A 10 -0.275 -11.797 -4.349 1.00 0.00 C ATOM 158 CG ARG A 10 -1.018 -12.102 -5.661 1.00 0.00 C ATOM 159 CD ARG A 10 -0.835 -13.580 -6.031 1.00 0.00 C ATOM 160 NE ARG A 10 -1.388 -13.840 -7.363 1.00 0.00 N ATOM 161 CZ ARG A 10 -1.354 -15.054 -7.921 1.00 0.00 C ATOM 162 NH1 ARG A 10 -0.820 -16.064 -7.290 1.00 0.00 N ATOM 163 NH2 ARG A 10 -1.860 -15.231 -9.108 1.00 0.00 N ATOM 0 H ARG A 10 0.413 -9.855 -5.734 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.613 -10.180 -3.845 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.795 -11.957 -4.483 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.604 -12.482 -3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.078 -11.874 -5.551 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.637 -11.468 -6.461 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.224 -13.839 -6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.331 -14.211 -5.294 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.812 -13.070 -7.881 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.422 -15.932 -6.360 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.800 -16.986 -7.727 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.279 -14.446 -9.606 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.837 -16.155 -9.540 1.00 0.00 H new ATOM 177 N ASN A 11 1.388 -9.744 -2.555 1.00 0.00 N ATOM 178 CA ASN A 11 2.125 -9.470 -1.319 1.00 0.00 C ATOM 179 C ASN A 11 1.645 -8.171 -0.657 1.00 0.00 C ATOM 180 O ASN A 11 1.743 -8.024 0.565 1.00 0.00 O ATOM 181 CB ASN A 11 3.630 -9.368 -1.615 1.00 0.00 C ATOM 182 CG ASN A 11 4.154 -10.677 -2.209 1.00 0.00 C ATOM 183 OD1 ASN A 11 3.838 -11.761 -1.716 1.00 0.00 O ATOM 184 ND2 ASN A 11 4.945 -10.641 -3.247 1.00 0.00 N ATOM 0 H ASN A 11 1.941 -9.641 -3.406 1.00 0.00 H new ATOM 0 HA ASN A 11 1.939 -10.295 -0.631 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.814 -8.548 -2.309 1.00 0.00 H new ATOM 0 HB3 ASN A 11 4.171 -9.137 -0.698 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.300 -11.509 -3.648 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.208 -9.745 -3.657 1.00 0.00 H new ATOM 191 N ALA A 12 1.153 -7.224 -1.472 1.00 0.00 N ATOM 192 CA ALA A 12 0.693 -5.932 -0.952 1.00 0.00 C ATOM 193 C ALA A 12 -0.339 -5.285 -1.883 1.00 0.00 C ATOM 194 O ALA A 12 -0.019 -4.955 -3.028 1.00 0.00 O ATOM 195 CB ALA A 12 1.897 -4.995 -0.826 1.00 0.00 C ATOM 0 H ALA A 12 1.065 -7.329 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 12 0.223 -6.101 0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.568 -4.030 -0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.626 -5.430 -0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.355 -4.857 -1.806 1.00 0.00 H new ATOM 201 N TYR A 13 -1.564 -5.082 -1.375 1.00 0.00 N ATOM 202 CA TYR A 13 -2.624 -4.445 -2.165 1.00 0.00 C ATOM 203 C TYR A 13 -3.834 -4.094 -1.272 1.00 0.00 C ATOM 204 O TYR A 13 -3.834 -3.040 -0.629 1.00 0.00 O ATOM 205 CB TYR A 13 -3.034 -5.351 -3.347 1.00 0.00 C ATOM 206 CG TYR A 13 -3.874 -4.555 -4.329 1.00 0.00 C ATOM 207 CD1 TYR A 13 -3.243 -3.750 -5.290 1.00 0.00 C ATOM 208 CD2 TYR A 13 -5.272 -4.620 -4.286 1.00 0.00 C ATOM 209 CE1 TYR A 13 -4.010 -3.014 -6.202 1.00 0.00 C ATOM 210 CE2 TYR A 13 -6.038 -3.882 -5.199 1.00 0.00 C ATOM 211 CZ TYR A 13 -5.406 -3.080 -6.156 1.00 0.00 C ATOM 212 OH TYR A 13 -6.162 -2.355 -7.054 1.00 0.00 O ATOM 0 H TYR A 13 -1.842 -5.347 -0.430 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.240 -3.512 -2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.146 -5.741 -3.845 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.598 -6.209 -2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.165 -3.698 -5.326 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.761 -5.239 -3.549 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.523 -2.395 -6.941 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.116 -3.932 -5.164 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.114 -2.515 -6.885 1.00 0.00 H new ATOM 222 N TRP A 14 -4.852 -4.971 -1.234 1.00 0.00 N ATOM 223 CA TRP A 14 -6.052 -4.728 -0.416 1.00 0.00 C ATOM 224 C TRP A 14 -5.689 -4.489 1.052 1.00 0.00 C ATOM 225 O TRP A 14 -6.372 -3.734 1.750 1.00 0.00 O ATOM 226 CB TRP A 14 -7.009 -5.930 -0.490 1.00 0.00 C ATOM 227 CG TRP A 14 -7.653 -6.016 -1.841 1.00 0.00 C ATOM 228 CD1 TRP A 14 -7.436 -7.000 -2.747 1.00 0.00 C ATOM 229 CD2 TRP A 14 -8.624 -5.112 -2.446 1.00 0.00 C ATOM 230 NE1 TRP A 14 -8.204 -6.750 -3.870 1.00 0.00 N ATOM 231 CE2 TRP A 14 -8.955 -5.601 -3.733 1.00 0.00 C ATOM 232 CE3 TRP A 14 -9.243 -3.926 -2.008 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -9.866 -4.936 -4.555 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -10.161 -3.256 -2.834 1.00 0.00 C ATOM 235 CH2 TRP A 14 -10.471 -3.760 -4.106 1.00 0.00 C ATOM 0 H TRP A 14 -4.868 -5.847 -1.756 1.00 0.00 H new ATOM 0 HA TRP A 14 -6.536 -3.837 -0.816 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -6.461 -6.850 -0.284 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.777 -5.837 0.278 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.772 -7.842 -2.614 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.214 -7.344 -4.699 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.011 -3.529 -1.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -10.102 -5.329 -5.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -10.631 -2.347 -2.488 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -11.176 -3.240 -4.737 1.00 0.00 H new ATOM 246 N GLU A 15 -4.624 -5.156 1.515 1.00 0.00 N ATOM 247 CA GLU A 15 -4.176 -5.041 2.909 1.00 0.00 C ATOM 248 C GLU A 15 -3.933 -3.580 3.309 1.00 0.00 C ATOM 249 O GLU A 15 -4.235 -3.185 4.437 1.00 0.00 O ATOM 250 CB GLU A 15 -2.890 -5.860 3.101 1.00 0.00 C ATOM 251 CG GLU A 15 -2.487 -5.879 4.588 1.00 0.00 C ATOM 252 CD GLU A 15 -1.237 -6.747 4.810 1.00 0.00 C ATOM 253 OE1 GLU A 15 -0.334 -6.696 3.985 1.00 0.00 O ATOM 254 OE2 GLU A 15 -1.197 -7.444 5.812 1.00 0.00 O ATOM 0 H GLU A 15 -4.056 -5.782 0.944 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.965 -5.431 3.553 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.043 -6.879 2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.085 -5.431 2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.293 -4.862 4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.312 -6.264 5.187 1.00 0.00 H new ATOM 261 N ILE A 16 -3.401 -2.786 2.377 1.00 0.00 N ATOM 262 CA ILE A 16 -3.137 -1.367 2.643 1.00 0.00 C ATOM 263 C ILE A 16 -4.454 -0.599 2.785 1.00 0.00 C ATOM 264 O ILE A 16 -4.588 0.267 3.655 1.00 0.00 O ATOM 265 CB ILE A 16 -2.291 -0.763 1.501 1.00 0.00 C ATOM 266 CG1 ILE A 16 -0.950 -1.518 1.396 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.024 0.729 1.775 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.180 -1.058 0.152 1.00 0.00 C ATOM 0 H ILE A 16 -3.146 -3.096 1.439 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.582 -1.283 3.577 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.838 -0.860 0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.352 -1.339 2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.132 -2.592 1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.427 1.147 0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.972 1.263 1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.484 0.835 2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.765 -1.598 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.774 -1.260 -0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.017 0.012 0.221 1.00 0.00 H new ATOM 280 N ALA A 17 -5.417 -0.925 1.917 1.00 0.00 N ATOM 281 CA ALA A 17 -6.726 -0.268 1.933 1.00 0.00 C ATOM 282 C ALA A 17 -7.495 -0.590 3.218 1.00 0.00 C ATOM 283 O ALA A 17 -8.338 0.198 3.655 1.00 0.00 O ATOM 284 CB ALA A 17 -7.548 -0.717 0.719 1.00 0.00 C ATOM 0 H ALA A 17 -5.314 -1.639 1.196 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.563 0.809 1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.521 -0.225 0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.021 -0.448 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.687 -1.798 0.753 1.00 0.00 H new ATOM 290 N LEU A 18 -7.210 -1.761 3.803 1.00 0.00 N ATOM 291 CA LEU A 18 -7.886 -2.201 5.029 1.00 0.00 C ATOM 292 C LEU A 18 -7.722 -1.175 6.155 1.00 0.00 C ATOM 293 O LEU A 18 -8.655 -0.955 6.933 1.00 0.00 O ATOM 294 CB LEU A 18 -7.323 -3.562 5.474 1.00 0.00 C ATOM 295 CG LEU A 18 -8.116 -4.111 6.678 1.00 0.00 C ATOM 296 CD1 LEU A 18 -9.544 -4.486 6.246 1.00 0.00 C ATOM 297 CD2 LEU A 18 -7.407 -5.359 7.227 1.00 0.00 C ATOM 0 H LEU A 18 -6.517 -2.419 3.447 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.950 -2.298 4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.372 -4.270 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.272 -3.457 5.742 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.168 -3.343 7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.094 -4.872 7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.051 -3.602 5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.500 -5.250 5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.965 -5.750 8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.354 -6.120 6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.399 -5.094 7.545 1.00 0.00 H new ATOM 309 N LEU A 19 -6.536 -0.558 6.240 1.00 0.00 N ATOM 310 CA LEU A 19 -6.268 0.438 7.284 1.00 0.00 C ATOM 311 C LEU A 19 -7.206 1.647 7.112 1.00 0.00 C ATOM 312 O LEU A 19 -7.185 2.302 6.067 1.00 0.00 O ATOM 313 CB LEU A 19 -4.799 0.891 7.190 1.00 0.00 C ATOM 314 CG LEU A 19 -3.867 0.014 8.069 1.00 0.00 C ATOM 315 CD1 LEU A 19 -4.289 -1.466 8.060 1.00 0.00 C ATOM 316 CD2 LEU A 19 -2.426 0.123 7.548 1.00 0.00 C ATOM 0 H LEU A 19 -5.755 -0.729 5.606 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.447 -0.006 8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.470 0.844 6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.719 1.932 7.502 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.938 0.380 9.093 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.609 -2.042 8.688 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.304 -1.557 8.446 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.253 -1.849 7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.769 -0.492 8.163 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.385 -0.224 6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.100 1.162 7.595 1.00 0.00 H new ATOM 328 N PRO A 20 -8.033 1.937 8.109 1.00 0.00 N ATOM 329 CA PRO A 20 -9.017 3.069 8.065 1.00 0.00 C ATOM 330 C PRO A 20 -8.480 4.429 8.540 1.00 0.00 C ATOM 331 O PRO A 20 -8.977 5.470 8.099 1.00 0.00 O ATOM 332 CB PRO A 20 -10.108 2.577 9.016 1.00 0.00 C ATOM 333 CG PRO A 20 -9.369 1.814 10.070 1.00 0.00 C ATOM 334 CD PRO A 20 -8.138 1.209 9.395 1.00 0.00 C ATOM 0 HA PRO A 20 -9.328 3.273 7.040 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.665 3.409 9.446 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.829 1.944 8.499 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.077 2.471 10.890 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.999 1.033 10.496 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.244 1.344 10.003 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.257 0.137 9.237 1.00 0.00 H new ATOM 342 N ASN A 21 -7.509 4.423 9.464 1.00 0.00 N ATOM 343 CA ASN A 21 -6.976 5.678 10.018 1.00 0.00 C ATOM 344 C ASN A 21 -6.046 6.411 9.052 1.00 0.00 C ATOM 345 O ASN A 21 -5.692 7.565 9.309 1.00 0.00 O ATOM 346 CB ASN A 21 -6.256 5.430 11.359 1.00 0.00 C ATOM 347 CG ASN A 21 -5.548 4.077 11.375 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.013 3.632 10.359 1.00 0.00 O ATOM 349 ND2 ASN A 21 -5.515 3.393 12.483 1.00 0.00 N ATOM 0 H ASN A 21 -7.081 3.577 9.840 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.838 6.323 10.186 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.530 6.223 11.535 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.979 5.473 12.174 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.046 2.488 12.510 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.958 3.763 13.324 1.00 0.00 H new ATOM 356 N LEU A 22 -5.664 5.771 7.942 1.00 0.00 N ATOM 357 CA LEU A 22 -4.790 6.445 6.977 1.00 0.00 C ATOM 358 C LEU A 22 -5.559 7.553 6.293 1.00 0.00 C ATOM 359 O LEU A 22 -6.660 7.320 5.798 1.00 0.00 O ATOM 360 CB LEU A 22 -4.283 5.506 5.875 1.00 0.00 C ATOM 361 CG LEU A 22 -3.575 4.282 6.458 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.550 3.166 5.402 1.00 0.00 C ATOM 363 CD2 LEU A 22 -2.133 4.642 6.825 1.00 0.00 C ATOM 0 H LEU A 22 -5.935 4.819 7.694 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.936 6.819 7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.121 5.182 5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.597 6.047 5.223 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.108 3.950 7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.047 2.290 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.571 2.902 5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.014 3.513 4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.634 3.766 7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.602 4.974 5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.135 5.443 7.564 1.00 0.00 H new ATOM 375 N ASN A 23 -4.963 8.742 6.247 1.00 0.00 N ATOM 376 CA ASN A 23 -5.604 9.893 5.586 1.00 0.00 C ATOM 377 C ASN A 23 -6.015 9.516 4.151 1.00 0.00 C ATOM 378 O ASN A 23 -5.392 8.650 3.526 1.00 0.00 O ATOM 379 CB ASN A 23 -4.652 11.098 5.553 1.00 0.00 C ATOM 380 CG ASN A 23 -4.251 11.512 6.972 1.00 0.00 C ATOM 381 OD1 ASN A 23 -3.004 11.791 7.232 1.00 0.00 O flip ATOM 382 ND2 ASN A 23 -5.096 11.584 7.867 1.00 0.00 N flip ATOM 0 H ASN A 23 -4.048 8.940 6.652 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.492 10.165 6.156 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.761 10.848 4.977 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.134 11.935 5.048 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.072 11.366 7.666 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.819 11.861 8.809 1.00 0.00 H new ATOM 389 N ASN A 24 -7.084 10.148 3.651 1.00 0.00 N ATOM 390 CA ASN A 24 -7.608 9.855 2.306 1.00 0.00 C ATOM 391 C ASN A 24 -6.511 9.894 1.236 1.00 0.00 C ATOM 392 O ASN A 24 -6.469 9.031 0.353 1.00 0.00 O ATOM 393 CB ASN A 24 -8.703 10.870 1.948 1.00 0.00 C ATOM 394 CG ASN A 24 -9.866 10.759 2.932 1.00 0.00 C ATOM 395 OD1 ASN A 24 -9.808 11.321 4.025 1.00 0.00 O ATOM 396 ND2 ASN A 24 -10.922 10.064 2.609 1.00 0.00 N ATOM 0 H ASN A 24 -7.605 10.866 4.155 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.017 8.845 2.327 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.294 11.880 1.969 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.057 10.691 0.933 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.701 9.986 3.263 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.969 9.599 1.703 1.00 0.00 H new ATOM 403 N GLN A 25 -5.632 10.892 1.320 1.00 0.00 N ATOM 404 CA GLN A 25 -4.538 11.034 0.355 1.00 0.00 C ATOM 405 C GLN A 25 -3.509 9.907 0.505 1.00 0.00 C ATOM 406 O GLN A 25 -2.990 9.394 -0.488 1.00 0.00 O ATOM 407 CB GLN A 25 -3.842 12.392 0.548 1.00 0.00 C ATOM 408 CG GLN A 25 -4.819 13.535 0.227 1.00 0.00 C ATOM 409 CD GLN A 25 -4.104 14.881 0.320 1.00 0.00 C ATOM 410 OE1 GLN A 25 -3.369 15.260 -0.592 1.00 0.00 O ATOM 411 NE2 GLN A 25 -4.274 15.631 1.374 1.00 0.00 N ATOM 0 H GLN A 25 -5.654 11.612 2.042 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.966 10.976 -0.646 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.486 12.485 1.574 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.968 12.457 -0.100 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.230 13.402 -0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.658 13.512 0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.883 15.318 2.130 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.798 16.531 1.442 1.00 0.00 H new ATOM 420 N GLN A 26 -3.209 9.546 1.755 1.00 0.00 N ATOM 421 CA GLN A 26 -2.220 8.500 2.044 1.00 0.00 C ATOM 422 C GLN A 26 -2.615 7.146 1.447 1.00 0.00 C ATOM 423 O GLN A 26 -1.760 6.436 0.909 1.00 0.00 O ATOM 424 CB GLN A 26 -2.046 8.366 3.562 1.00 0.00 C ATOM 425 CG GLN A 26 -1.381 9.637 4.120 1.00 0.00 C ATOM 426 CD GLN A 26 -1.228 9.561 5.643 1.00 0.00 C ATOM 427 OE1 GLN A 26 -2.044 8.826 6.349 1.00 0.00 O flip ATOM 428 NE2 GLN A 26 -0.349 10.211 6.208 1.00 0.00 N flip ATOM 0 H GLN A 26 -3.635 9.961 2.584 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.279 8.798 1.581 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.015 8.212 4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.436 7.493 3.793 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.402 9.770 3.660 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.979 10.509 3.855 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.291 10.787 5.661 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.260 10.174 7.223 1.00 0.00 H new ATOM 437 N LYS A 27 -3.900 6.787 1.554 1.00 0.00 N ATOM 438 CA LYS A 27 -4.373 5.501 1.023 1.00 0.00 C ATOM 439 C LYS A 27 -4.122 5.400 -0.482 1.00 0.00 C ATOM 440 O LYS A 27 -3.371 4.531 -0.938 1.00 0.00 O ATOM 441 CB LYS A 27 -5.875 5.326 1.297 1.00 0.00 C ATOM 442 CG LYS A 27 -6.115 4.966 2.767 1.00 0.00 C ATOM 443 CD LYS A 27 -7.559 4.461 2.938 1.00 0.00 C ATOM 444 CE LYS A 27 -8.333 5.367 3.902 1.00 0.00 C ATOM 445 NZ LYS A 27 -7.994 5.010 5.314 1.00 0.00 N ATOM 0 H LYS A 27 -4.621 7.357 1.996 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.815 4.712 1.528 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.405 6.246 1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.279 4.544 0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.409 4.199 3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.945 5.838 3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.060 4.438 1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.551 3.439 3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.086 6.411 3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.405 5.258 3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.851 5.065 5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.614 4.042 5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.281 5.674 5.678 1.00 0.00 H new ATOM 459 N ARG A 28 -4.766 6.289 -1.237 1.00 0.00 N ATOM 460 CA ARG A 28 -4.632 6.307 -2.698 1.00 0.00 C ATOM 461 C ARG A 28 -3.167 6.468 -3.127 1.00 0.00 C ATOM 462 O ARG A 28 -2.752 5.913 -4.150 1.00 0.00 O ATOM 463 CB ARG A 28 -5.465 7.459 -3.287 1.00 0.00 C ATOM 464 CG ARG A 28 -6.962 7.218 -3.019 1.00 0.00 C ATOM 465 CD ARG A 28 -7.804 8.296 -3.719 1.00 0.00 C ATOM 466 NE ARG A 28 -7.451 9.629 -3.220 1.00 0.00 N ATOM 467 CZ ARG A 28 -8.043 10.737 -3.677 1.00 0.00 C ATOM 468 NH1 ARG A 28 -8.968 10.669 -4.595 1.00 0.00 N ATOM 469 NH2 ARG A 28 -7.692 11.897 -3.200 1.00 0.00 N ATOM 0 H ARG A 28 -5.386 7.007 -0.864 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.997 5.352 -3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.156 8.406 -2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.287 7.536 -4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.249 6.230 -3.379 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.155 7.235 -1.946 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.642 8.250 -4.796 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.864 8.106 -3.548 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.731 9.713 -2.502 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.247 9.763 -4.972 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.412 11.522 -4.936 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.970 11.956 -2.482 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.140 12.747 -3.544 1.00 0.00 H new ATOM 483 N ALA A 29 -2.401 7.239 -2.347 1.00 0.00 N ATOM 484 CA ALA A 29 -0.991 7.487 -2.660 1.00 0.00 C ATOM 485 C ALA A 29 -0.172 6.193 -2.671 1.00 0.00 C ATOM 486 O ALA A 29 0.652 5.991 -3.571 1.00 0.00 O ATOM 487 CB ALA A 29 -0.393 8.463 -1.640 1.00 0.00 C ATOM 0 H ALA A 29 -2.732 7.699 -1.499 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.948 7.920 -3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.655 8.642 -1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.940 9.405 -1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.469 8.036 -0.640 1.00 0.00 H new ATOM 493 N PHE A 30 -0.384 5.325 -1.671 1.00 0.00 N ATOM 494 CA PHE A 30 0.369 4.068 -1.597 1.00 0.00 C ATOM 495 C PHE A 30 0.112 3.188 -2.822 1.00 0.00 C ATOM 496 O PHE A 30 1.047 2.866 -3.555 1.00 0.00 O ATOM 497 CB PHE A 30 0.006 3.292 -0.320 1.00 0.00 C ATOM 498 CG PHE A 30 0.783 3.844 0.861 1.00 0.00 C ATOM 499 CD1 PHE A 30 2.186 3.833 0.839 1.00 0.00 C ATOM 500 CD2 PHE A 30 0.109 4.360 1.977 1.00 0.00 C ATOM 501 CE1 PHE A 30 2.910 4.334 1.923 1.00 0.00 C ATOM 502 CE2 PHE A 30 0.837 4.861 3.063 1.00 0.00 C ATOM 503 CZ PHE A 30 2.238 4.847 3.035 1.00 0.00 C ATOM 0 H PHE A 30 -1.057 5.467 -0.917 1.00 0.00 H new ATOM 0 HA PHE A 30 1.428 4.325 -1.573 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.064 3.369 -0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.231 2.234 -0.451 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.708 3.436 -0.019 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.971 4.371 1.999 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.990 4.325 1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.318 5.259 3.923 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.798 5.233 3.874 1.00 0.00 H new ATOM 513 N ILE A 31 -1.151 2.799 -3.030 1.00 0.00 N ATOM 514 CA ILE A 31 -1.527 1.937 -4.162 1.00 0.00 C ATOM 515 C ILE A 31 -1.061 2.530 -5.503 1.00 0.00 C ATOM 516 O ILE A 31 -0.570 1.794 -6.366 1.00 0.00 O ATOM 517 CB ILE A 31 -3.059 1.715 -4.173 1.00 0.00 C ATOM 518 CG1 ILE A 31 -3.486 1.009 -2.865 1.00 0.00 C ATOM 519 CG2 ILE A 31 -3.457 0.843 -5.381 1.00 0.00 C ATOM 520 CD1 ILE A 31 -5.013 0.846 -2.816 1.00 0.00 C ATOM 0 H ILE A 31 -1.932 3.066 -2.431 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.027 0.977 -4.035 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.559 2.680 -4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.008 0.032 -2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.148 1.588 -2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.536 0.692 -5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.161 1.342 -6.304 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.956 -0.122 -5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.296 0.347 -1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.485 1.827 -2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.342 0.247 -3.665 1.00 0.00 H new ATOM 532 N ARG A 32 -1.215 3.850 -5.674 1.00 0.00 N ATOM 533 CA ARG A 32 -0.799 4.505 -6.921 1.00 0.00 C ATOM 534 C ARG A 32 0.713 4.361 -7.129 1.00 0.00 C ATOM 535 O ARG A 32 1.168 3.906 -8.188 1.00 0.00 O ATOM 536 CB ARG A 32 -1.178 5.994 -6.888 1.00 0.00 C ATOM 537 CG ARG A 32 -0.906 6.632 -8.262 1.00 0.00 C ATOM 538 CD ARG A 32 -1.272 8.123 -8.235 1.00 0.00 C ATOM 539 NE ARG A 32 -0.270 8.886 -7.484 1.00 0.00 N ATOM 540 CZ ARG A 32 0.941 9.151 -7.985 1.00 0.00 C ATOM 541 NH1 ARG A 32 1.283 8.725 -9.170 1.00 0.00 N ATOM 542 NH2 ARG A 32 1.791 9.844 -7.281 1.00 0.00 N ATOM 0 H ARG A 32 -1.618 4.476 -4.977 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.314 4.021 -7.751 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.231 6.105 -6.627 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.603 6.508 -6.118 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.145 6.513 -8.525 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.487 6.121 -9.030 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.340 8.505 -9.254 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.254 8.254 -7.779 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.504 9.225 -6.551 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.623 8.182 -9.727 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.210 8.935 -9.539 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.531 10.181 -6.354 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.717 10.050 -7.657 1.00 0.00 H new ATOM 556 N SER A 33 1.485 4.739 -6.106 1.00 0.00 N ATOM 557 CA SER A 33 2.945 4.644 -6.177 1.00 0.00 C ATOM 558 C SER A 33 3.382 3.184 -6.312 1.00 0.00 C ATOM 559 O SER A 33 4.446 2.900 -6.868 1.00 0.00 O ATOM 560 CB SER A 33 3.580 5.268 -4.928 1.00 0.00 C ATOM 561 OG SER A 33 3.190 4.537 -3.772 1.00 0.00 O ATOM 0 H SER A 33 1.127 5.111 -5.226 1.00 0.00 H new ATOM 0 HA SER A 33 3.282 5.192 -7.057 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.666 5.266 -5.021 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.270 6.309 -4.833 1.00 0.00 H new ATOM 0 HG SER A 33 2.412 3.980 -3.984 1.00 0.00 H new ATOM 567 N LEU A 34 2.552 2.271 -5.797 1.00 0.00 N ATOM 568 CA LEU A 34 2.842 0.838 -5.854 1.00 0.00 C ATOM 569 C LEU A 34 2.937 0.385 -7.312 1.00 0.00 C ATOM 570 O LEU A 34 3.879 -0.315 -7.698 1.00 0.00 O ATOM 571 CB LEU A 34 1.720 0.068 -5.131 1.00 0.00 C ATOM 572 CG LEU A 34 2.261 -1.209 -4.463 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.558 -1.408 -3.109 1.00 0.00 C ATOM 574 CD2 LEU A 34 1.992 -2.424 -5.366 1.00 0.00 C ATOM 0 H LEU A 34 1.672 2.502 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 34 3.794 0.636 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.262 0.709 -4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.938 -0.195 -5.844 1.00 0.00 H new ATOM 0 HG LEU A 34 3.336 -1.111 -4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.937 -2.311 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.754 -0.549 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.484 -1.505 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.377 -3.325 -4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.919 -2.528 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.489 -2.281 -6.325 1.00 0.00 H new ATOM 586 N TYR A 35 1.960 0.813 -8.116 1.00 0.00 N ATOM 587 CA TYR A 35 1.934 0.474 -9.537 1.00 0.00 C ATOM 588 C TYR A 35 3.146 1.088 -10.235 1.00 0.00 C ATOM 589 O TYR A 35 3.811 0.431 -11.039 1.00 0.00 O ATOM 590 CB TYR A 35 0.642 1.002 -10.176 1.00 0.00 C ATOM 591 CG TYR A 35 0.542 0.523 -11.613 1.00 0.00 C ATOM 592 CD1 TYR A 35 0.002 -0.740 -11.896 1.00 0.00 C ATOM 593 CD2 TYR A 35 0.991 1.340 -12.662 1.00 0.00 C ATOM 594 CE1 TYR A 35 -0.088 -1.184 -13.221 1.00 0.00 C ATOM 595 CE2 TYR A 35 0.900 0.894 -13.986 1.00 0.00 C ATOM 596 CZ TYR A 35 0.360 -0.367 -14.265 1.00 0.00 C ATOM 597 OH TYR A 35 0.271 -0.805 -15.571 1.00 0.00 O ATOM 0 H TYR A 35 1.180 1.393 -7.806 1.00 0.00 H new ATOM 0 HA TYR A 35 1.968 -0.610 -9.647 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.222 0.657 -9.608 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.630 2.091 -10.145 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.345 -1.371 -11.091 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.407 2.313 -12.448 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.503 -2.157 -13.437 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.247 1.523 -14.792 1.00 0.00 H new ATOM 0 HH TYR A 35 0.625 -0.116 -16.172 1.00 0.00 H new ATOM 607 N ASP A 36 3.415 2.357 -9.915 1.00 0.00 N ATOM 608 CA ASP A 36 4.547 3.078 -10.506 1.00 0.00 C ATOM 609 C ASP A 36 5.869 2.373 -10.182 1.00 0.00 C ATOM 610 O ASP A 36 6.754 2.278 -11.037 1.00 0.00 O ATOM 611 CB ASP A 36 4.575 4.522 -9.969 1.00 0.00 C ATOM 612 CG ASP A 36 5.389 5.442 -10.885 1.00 0.00 C ATOM 613 OD1 ASP A 36 6.525 5.110 -11.190 1.00 0.00 O ATOM 614 OD2 ASP A 36 4.865 6.475 -11.256 1.00 0.00 O ATOM 0 H ASP A 36 2.867 2.905 -9.252 1.00 0.00 H new ATOM 0 HA ASP A 36 4.425 3.094 -11.589 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.556 4.900 -9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.004 4.531 -8.967 1.00 0.00 H new ATOM 619 N ASP A 37 5.990 1.886 -8.940 1.00 0.00 N ATOM 620 CA ASP A 37 7.203 1.191 -8.487 1.00 0.00 C ATOM 621 C ASP A 37 6.839 -0.098 -7.713 1.00 0.00 C ATOM 622 O ASP A 37 6.733 -0.067 -6.480 1.00 0.00 O ATOM 623 CB ASP A 37 8.029 2.129 -7.590 1.00 0.00 C ATOM 624 CG ASP A 37 8.573 3.300 -8.413 1.00 0.00 C ATOM 625 OD1 ASP A 37 9.613 3.133 -9.030 1.00 0.00 O ATOM 626 OD2 ASP A 37 7.941 4.344 -8.416 1.00 0.00 O ATOM 0 H ASP A 37 5.262 1.961 -8.230 1.00 0.00 H new ATOM 0 HA ASP A 37 7.793 0.910 -9.360 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.410 2.504 -6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.854 1.579 -7.137 1.00 0.00 H new ATOM 631 N PRO A 38 6.641 -1.232 -8.390 1.00 0.00 N ATOM 632 CA PRO A 38 6.280 -2.517 -7.701 1.00 0.00 C ATOM 633 C PRO A 38 7.412 -3.042 -6.811 1.00 0.00 C ATOM 634 O PRO A 38 7.194 -3.929 -5.982 1.00 0.00 O ATOM 635 CB PRO A 38 5.994 -3.490 -8.852 1.00 0.00 C ATOM 636 CG PRO A 38 6.764 -2.955 -10.009 1.00 0.00 C ATOM 637 CD PRO A 38 6.744 -1.437 -9.860 1.00 0.00 C ATOM 0 HA PRO A 38 5.432 -2.387 -7.029 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.311 -4.502 -8.601 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.928 -3.536 -9.075 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.786 -3.334 -10.007 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.313 -3.261 -10.953 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.648 -0.982 -10.266 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.899 -0.993 -10.387 1.00 0.00 H new ATOM 645 N SER A 39 8.616 -2.493 -6.996 1.00 0.00 N ATOM 646 CA SER A 39 9.779 -2.909 -6.215 1.00 0.00 C ATOM 647 C SER A 39 9.673 -2.421 -4.773 1.00 0.00 C ATOM 648 O SER A 39 10.318 -2.976 -3.879 1.00 0.00 O ATOM 649 CB SER A 39 11.058 -2.351 -6.856 1.00 0.00 C ATOM 650 OG SER A 39 12.191 -2.717 -6.072 1.00 0.00 O ATOM 0 H SER A 39 8.808 -1.761 -7.679 1.00 0.00 H new ATOM 0 HA SER A 39 9.815 -3.998 -6.207 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.166 -2.737 -7.870 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.993 -1.266 -6.933 1.00 0.00 H new ATOM 0 HG SER A 39 13.004 -2.360 -6.486 1.00 0.00 H new ATOM 656 N GLN A 40 8.884 -1.361 -4.566 1.00 0.00 N ATOM 657 CA GLN A 40 8.720 -0.767 -3.243 1.00 0.00 C ATOM 658 C GLN A 40 7.453 -1.260 -2.542 1.00 0.00 C ATOM 659 O GLN A 40 7.213 -0.893 -1.395 1.00 0.00 O ATOM 660 CB GLN A 40 8.667 0.762 -3.402 1.00 0.00 C ATOM 661 CG GLN A 40 10.090 1.339 -3.475 1.00 0.00 C ATOM 662 CD GLN A 40 10.898 0.684 -4.597 1.00 0.00 C ATOM 663 OE1 GLN A 40 10.841 1.123 -5.744 1.00 0.00 O ATOM 664 NE2 GLN A 40 11.652 -0.348 -4.329 1.00 0.00 N ATOM 0 H GLN A 40 8.350 -0.899 -5.302 1.00 0.00 H new ATOM 0 HA GLN A 40 9.565 -1.065 -2.622 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.115 1.022 -4.305 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.131 1.204 -2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.040 2.415 -3.640 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.596 1.186 -2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.699 -0.712 -3.377 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.194 -0.790 -5.071 1.00 0.00 H new ATOM 673 N SER A 41 6.646 -2.082 -3.232 1.00 0.00 N ATOM 674 CA SER A 41 5.389 -2.596 -2.659 1.00 0.00 C ATOM 675 C SER A 41 5.584 -3.103 -1.225 1.00 0.00 C ATOM 676 O SER A 41 4.732 -2.878 -0.360 1.00 0.00 O ATOM 677 CB SER A 41 4.835 -3.727 -3.532 1.00 0.00 C ATOM 678 OG SER A 41 4.809 -3.307 -4.888 1.00 0.00 O ATOM 0 H SER A 41 6.838 -2.404 -4.181 1.00 0.00 H new ATOM 0 HA SER A 41 4.679 -1.769 -2.632 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.454 -4.618 -3.428 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.831 -3.996 -3.204 1.00 0.00 H new ATOM 0 HG SER A 41 5.523 -3.759 -5.384 1.00 0.00 H new ATOM 684 N ALA A 42 6.717 -3.758 -0.974 1.00 0.00 N ATOM 685 CA ALA A 42 7.017 -4.260 0.364 1.00 0.00 C ATOM 686 C ALA A 42 7.189 -3.087 1.331 1.00 0.00 C ATOM 687 O ALA A 42 6.624 -3.082 2.431 1.00 0.00 O ATOM 688 CB ALA A 42 8.297 -5.102 0.334 1.00 0.00 C ATOM 0 H ALA A 42 7.435 -3.951 -1.672 1.00 0.00 H new ATOM 0 HA ALA A 42 6.190 -4.885 0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.513 -5.472 1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.162 -5.946 -0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.128 -4.488 -0.013 1.00 0.00 H new ATOM 694 N ASN A 43 7.970 -2.088 0.904 1.00 0.00 N ATOM 695 CA ASN A 43 8.217 -0.905 1.727 1.00 0.00 C ATOM 696 C ASN A 43 6.920 -0.141 1.977 1.00 0.00 C ATOM 697 O ASN A 43 6.631 0.239 3.111 1.00 0.00 O ATOM 698 CB ASN A 43 9.214 0.040 1.034 1.00 0.00 C ATOM 699 CG ASN A 43 10.573 -0.630 0.816 1.00 0.00 C ATOM 700 OD1 ASN A 43 10.845 -1.711 1.345 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.454 -0.032 0.066 1.00 0.00 N ATOM 0 H ASN A 43 8.438 -2.077 -0.002 1.00 0.00 H new ATOM 0 HA ASN A 43 8.631 -1.246 2.676 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.807 0.358 0.074 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.344 0.938 1.638 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.369 -0.457 -0.084 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.229 0.862 -0.371 1.00 0.00 H new ATOM 708 N LEU A 44 6.147 0.087 0.904 1.00 0.00 N ATOM 709 CA LEU A 44 4.884 0.827 1.003 1.00 0.00 C ATOM 710 C LEU A 44 3.958 0.196 2.040 1.00 0.00 C ATOM 711 O LEU A 44 3.317 0.907 2.814 1.00 0.00 O ATOM 712 CB LEU A 44 4.160 0.844 -0.345 1.00 0.00 C ATOM 713 CG LEU A 44 5.025 1.466 -1.475 1.00 0.00 C ATOM 714 CD1 LEU A 44 4.158 1.662 -2.722 1.00 0.00 C ATOM 715 CD2 LEU A 44 5.613 2.823 -1.057 1.00 0.00 C ATOM 0 H LEU A 44 6.375 -0.230 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 44 5.130 1.845 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.886 -0.175 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.233 1.408 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 44 5.851 0.785 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.760 2.099 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.767 0.698 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.328 2.329 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.212 3.227 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.803 3.514 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.242 2.691 -0.176 1.00 0.00 H new ATOM 727 N LEU A 45 3.903 -1.142 2.055 1.00 0.00 N ATOM 728 CA LEU A 45 3.064 -1.863 3.017 1.00 0.00 C ATOM 729 C LEU A 45 3.530 -1.551 4.441 1.00 0.00 C ATOM 730 O LEU A 45 2.718 -1.244 5.318 1.00 0.00 O ATOM 731 CB LEU A 45 3.145 -3.373 2.731 1.00 0.00 C ATOM 732 CG LEU A 45 2.529 -4.204 3.882 1.00 0.00 C ATOM 733 CD1 LEU A 45 1.047 -3.846 4.076 1.00 0.00 C ATOM 734 CD2 LEU A 45 2.653 -5.700 3.554 1.00 0.00 C ATOM 0 H LEU A 45 4.426 -1.742 1.417 1.00 0.00 H new ATOM 0 HA LEU A 45 2.026 -1.544 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.623 -3.596 1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.186 -3.662 2.590 1.00 0.00 H new ATOM 0 HG LEU A 45 3.067 -3.978 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.632 -4.441 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.957 -2.787 4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.499 -4.056 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.220 -6.287 4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.123 -5.914 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.705 -5.961 3.439 1.00 0.00 H new ATOM 746 N ALA A 46 4.848 -1.608 4.643 1.00 0.00 N ATOM 747 CA ALA A 46 5.427 -1.303 5.954 1.00 0.00 C ATOM 748 C ALA A 46 5.151 0.160 6.304 1.00 0.00 C ATOM 749 O ALA A 46 4.825 0.492 7.448 1.00 0.00 O ATOM 750 CB ALA A 46 6.938 -1.557 5.935 1.00 0.00 C ATOM 0 H ALA A 46 5.528 -1.859 3.925 1.00 0.00 H new ATOM 0 HA ALA A 46 4.972 -1.949 6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.358 -1.327 6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.128 -2.603 5.695 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.404 -0.922 5.182 1.00 0.00 H new ATOM 756 N GLU A 47 5.276 1.018 5.290 1.00 0.00 N ATOM 757 CA GLU A 47 5.039 2.452 5.439 1.00 0.00 C ATOM 758 C GLU A 47 3.570 2.737 5.763 1.00 0.00 C ATOM 759 O GLU A 47 3.267 3.662 6.520 1.00 0.00 O ATOM 760 CB GLU A 47 5.450 3.167 4.141 1.00 0.00 C ATOM 761 CG GLU A 47 6.987 3.259 4.058 1.00 0.00 C ATOM 762 CD GLU A 47 7.544 4.116 5.208 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.152 5.270 5.311 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.363 3.610 5.962 1.00 0.00 O ATOM 0 H GLU A 47 5.543 0.738 4.346 1.00 0.00 H new ATOM 0 HA GLU A 47 5.638 2.826 6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.062 2.625 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.015 4.166 4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.419 2.259 4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.279 3.692 3.101 1.00 0.00 H new ATOM 771 N ALA A 48 2.664 1.937 5.199 1.00 0.00 N ATOM 772 CA ALA A 48 1.236 2.113 5.453 1.00 0.00 C ATOM 773 C ALA A 48 0.941 1.826 6.921 1.00 0.00 C ATOM 774 O ALA A 48 0.239 2.594 7.587 1.00 0.00 O ATOM 775 CB ALA A 48 0.420 1.168 4.564 1.00 0.00 C ATOM 0 H ALA A 48 2.892 1.168 4.569 1.00 0.00 H new ATOM 0 HA ALA A 48 0.957 3.141 5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.643 1.309 4.763 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.625 1.386 3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.696 0.136 4.780 1.00 0.00 H new ATOM 781 N LYS A 49 1.500 0.720 7.418 1.00 0.00 N ATOM 782 CA LYS A 49 1.314 0.332 8.812 1.00 0.00 C ATOM 783 C LYS A 49 1.911 1.404 9.728 1.00 0.00 C ATOM 784 O LYS A 49 1.395 1.661 10.819 1.00 0.00 O ATOM 785 CB LYS A 49 1.995 -1.020 9.068 1.00 0.00 C ATOM 786 CG LYS A 49 1.151 -1.855 10.044 1.00 0.00 C ATOM 787 CD LYS A 49 1.999 -3.001 10.619 1.00 0.00 C ATOM 788 CE LYS A 49 1.103 -4.200 10.949 1.00 0.00 C ATOM 789 NZ LYS A 49 1.895 -5.221 11.694 1.00 0.00 N ATOM 0 H LYS A 49 2.082 0.082 6.876 1.00 0.00 H new ATOM 0 HA LYS A 49 0.249 0.237 9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.119 -1.558 8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.992 -0.863 9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.782 -1.223 10.852 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.278 -2.259 9.531 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.764 -3.295 9.900 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.518 -2.666 11.517 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.251 -3.877 11.547 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.703 -4.632 10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.288 -6.035 11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.694 -5.536 11.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.256 -4.805 12.576 1.00 0.00 H new ATOM 803 N LYS A 50 3.003 2.020 9.261 1.00 0.00 N ATOM 804 CA LYS A 50 3.692 3.073 10.007 1.00 0.00 C ATOM 805 C LYS A 50 2.736 4.234 10.284 1.00 0.00 C ATOM 806 O LYS A 50 2.585 4.673 11.428 1.00 0.00 O ATOM 807 CB LYS A 50 4.866 3.570 9.161 1.00 0.00 C ATOM 808 CG LYS A 50 5.858 4.373 10.006 1.00 0.00 C ATOM 809 CD LYS A 50 6.974 4.909 9.088 1.00 0.00 C ATOM 810 CE LYS A 50 8.344 4.443 9.589 1.00 0.00 C ATOM 811 NZ LYS A 50 9.359 4.646 8.513 1.00 0.00 N ATOM 0 H LYS A 50 3.430 1.803 8.361 1.00 0.00 H new ATOM 0 HA LYS A 50 4.047 2.680 10.959 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.376 2.720 8.707 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.493 4.190 8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.349 5.199 10.502 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.283 3.744 10.788 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.814 4.560 8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.940 5.998 9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.627 5.001 10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.302 3.391 9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.232 4.137 8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.988 4.282 7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.565 5.661 8.417 1.00 0.00 H new ATOM 825 N LEU A 51 2.081 4.710 9.219 1.00 0.00 N ATOM 826 CA LEU A 51 1.122 5.808 9.333 1.00 0.00 C ATOM 827 C LEU A 51 -0.051 5.390 10.214 1.00 0.00 C ATOM 828 O LEU A 51 -0.521 6.171 11.044 1.00 0.00 O ATOM 829 CB LEU A 51 0.622 6.215 7.931 1.00 0.00 C ATOM 830 CG LEU A 51 1.757 6.894 7.124 1.00 0.00 C ATOM 831 CD1 LEU A 51 1.236 7.296 5.732 1.00 0.00 C ATOM 832 CD2 LEU A 51 2.269 8.153 7.856 1.00 0.00 C ATOM 0 H LEU A 51 2.199 4.351 8.272 1.00 0.00 H new ATOM 0 HA LEU A 51 1.614 6.665 9.793 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.265 5.335 7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.224 6.897 8.024 1.00 0.00 H new ATOM 0 HG LEU A 51 2.578 6.185 7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.037 7.773 5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.897 6.407 5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.405 7.993 5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.066 8.615 7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.450 8.862 7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.653 7.873 8.837 1.00 0.00 H new ATOM 844 N ASN A 52 -0.502 4.145 10.034 1.00 0.00 N ATOM 845 CA ASN A 52 -1.612 3.606 10.826 1.00 0.00 C ATOM 846 C ASN A 52 -1.260 3.623 12.315 1.00 0.00 C ATOM 847 O ASN A 52 -2.044 4.098 13.142 1.00 0.00 O ATOM 848 CB ASN A 52 -1.913 2.168 10.356 1.00 0.00 C ATOM 849 CG ASN A 52 -2.621 1.352 11.443 1.00 0.00 C ATOM 850 OD1 ASN A 52 -3.917 1.241 11.424 1.00 0.00 O flip ATOM 851 ND2 ASN A 52 -1.969 0.803 12.332 1.00 0.00 N flip ATOM 0 H ASN A 52 -0.118 3.494 9.350 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.498 4.225 10.683 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.536 2.200 9.462 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.982 1.674 10.078 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.953 0.890 12.347 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.445 0.261 13.053 1.00 0.00 H new ATOM 858 N ASP A 53 -0.078 3.099 12.636 1.00 0.00 N ATOM 859 CA ASP A 53 0.390 3.043 14.021 1.00 0.00 C ATOM 860 C ASP A 53 0.537 4.444 14.612 1.00 0.00 C ATOM 861 O ASP A 53 0.248 4.658 15.792 1.00 0.00 O ATOM 862 CB ASP A 53 1.741 2.320 14.083 1.00 0.00 C ATOM 863 CG ASP A 53 2.167 2.101 15.538 1.00 0.00 C ATOM 864 OD1 ASP A 53 1.723 1.128 16.125 1.00 0.00 O ATOM 865 OD2 ASP A 53 2.930 2.911 16.043 1.00 0.00 O ATOM 0 H ASP A 53 0.573 2.707 11.956 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.351 2.498 14.606 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.670 1.361 13.570 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.498 2.906 13.561 1.00 0.00 H new ATOM 870 N ALA A 54 1.018 5.379 13.793 1.00 0.00 N ATOM 871 CA ALA A 54 1.237 6.747 14.253 1.00 0.00 C ATOM 872 C ALA A 54 -0.083 7.501 14.469 1.00 0.00 C ATOM 873 O ALA A 54 -0.294 8.097 15.528 1.00 0.00 O ATOM 874 CB ALA A 54 2.099 7.502 13.234 1.00 0.00 C ATOM 0 H ALA A 54 1.261 5.215 12.816 1.00 0.00 H new ATOM 0 HA ALA A 54 1.749 6.694 15.214 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.261 8.523 13.580 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.060 6.999 13.126 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.590 7.522 12.270 1.00 0.00 H new ATOM 880 N GLN A 55 -0.955 7.479 13.454 1.00 0.00 N ATOM 881 CA GLN A 55 -2.249 8.175 13.527 1.00 0.00 C ATOM 882 C GLN A 55 -3.180 7.542 14.566 1.00 0.00 C ATOM 883 O GLN A 55 -4.057 8.220 15.106 1.00 0.00 O ATOM 884 CB GLN A 55 -2.931 8.176 12.148 1.00 0.00 C ATOM 885 CG GLN A 55 -2.109 9.011 11.157 1.00 0.00 C ATOM 886 CD GLN A 55 -2.482 8.619 9.733 1.00 0.00 C ATOM 887 OE1 GLN A 55 -2.351 7.374 9.367 1.00 0.00 O flip ATOM 888 NE2 GLN A 55 -2.905 9.459 8.940 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.791 6.989 12.575 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.050 9.201 13.837 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.030 7.154 11.781 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.939 8.583 12.232 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.298 10.073 11.315 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.044 8.849 11.323 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.005 10.431 9.232 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.155 9.183 7.990 1.00 0.00 H new ATOM 897 N ALA A 56 -2.997 6.240 14.823 1.00 0.00 N ATOM 898 CA ALA A 56 -3.838 5.512 15.784 1.00 0.00 C ATOM 899 C ALA A 56 -3.845 6.196 17.163 1.00 0.00 C ATOM 900 O ALA A 56 -2.833 6.766 17.580 1.00 0.00 O ATOM 901 CB ALA A 56 -3.332 4.074 15.933 1.00 0.00 C ATOM 0 H ALA A 56 -2.276 5.670 14.380 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.858 5.511 15.399 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.959 3.540 16.646 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.373 3.572 14.966 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.303 4.086 16.292 1.00 0.00 H new ATOM 907 N PRO A 57 -4.964 6.146 17.872 1.00 0.00 N ATOM 908 CA PRO A 57 -5.098 6.771 19.228 1.00 0.00 C ATOM 909 C PRO A 57 -4.368 5.974 20.312 1.00 0.00 C ATOM 910 O PRO A 57 -4.186 4.760 20.186 1.00 0.00 O ATOM 911 CB PRO A 57 -6.611 6.781 19.474 1.00 0.00 C ATOM 912 CG PRO A 57 -7.143 5.637 18.675 1.00 0.00 C ATOM 913 CD PRO A 57 -6.223 5.485 17.463 1.00 0.00 C ATOM 0 HA PRO A 57 -4.649 7.764 19.266 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.839 6.662 20.533 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.056 7.724 19.156 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.156 4.723 19.269 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.169 5.828 18.361 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.059 4.436 17.217 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.650 5.957 16.578 1.00 0.00 H new ATOM 921 N LYS A 58 -3.961 6.676 21.376 1.00 0.00 N ATOM 922 CA LYS A 58 -3.251 6.054 22.500 1.00 0.00 C ATOM 923 C LYS A 58 -4.183 5.906 23.708 1.00 0.00 C ATOM 924 O LYS A 58 -4.762 6.902 24.114 1.00 0.00 O ATOM 925 CB LYS A 58 -2.034 6.912 22.889 1.00 0.00 C ATOM 926 CG LYS A 58 -1.012 6.918 21.741 1.00 0.00 C ATOM 927 CD LYS A 58 0.239 7.707 22.161 1.00 0.00 C ATOM 928 CE LYS A 58 1.226 7.782 20.989 1.00 0.00 C ATOM 929 NZ LYS A 58 2.231 8.851 21.254 1.00 0.00 N ATOM 930 OXT LYS A 58 -4.304 4.798 24.210 1.00 0.00 O ATOM 0 H LYS A 58 -4.112 7.679 21.482 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.914 5.064 22.192 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.352 7.931 23.110 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.574 6.518 23.795 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.738 5.896 21.481 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.454 7.366 20.851 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.043 8.712 22.476 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.713 7.226 23.017 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.726 6.822 20.858 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.692 7.992 20.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.901 8.903 20.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.746 9.765 21.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.748 8.632 22.129 1.00 0.00 H new