USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=8 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 21 ASN : amide:sc= -1.08 K(o=-2.4,f=-5!) USER MOD Set 1.2: A 52 ASN : amide:sc= -1.31 K(o=-2.4,f=-0.57) USER MOD Set 2.1: A 39 SER OG : rot -102:sc= 1.75 USER MOD Set 2.2: A 40 GLN : amide:sc= 1.31 K(o=3.6,f=-0.045) USER MOD Set 2.3: A 43 ASN : amide:sc= 0.55 K(o=3.6,f=1.6) USER MOD Set 3.1: A 26 GLN : amide:sc= -5.51! C(o=-8.5!,f=-5.5!) USER MOD Set 3.2: A 55 GLN : amide:sc= -3.02! K(o=-8.5!,f=-5.5) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -174:sc= 0 (180deg=-0.0368) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.402 K(o=0.4,f=-2.9!) USER MOD Single : A 24 ASN : amide:sc= 0.0546 K(o=0.055,f=-1) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= 1.84 (180deg=-1.21) USER MOD Single : A 33 SER OG : rot 64:sc= 1.28 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 92:sc= 1.1 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0.647 (180deg=0.546) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 1.361 -10.639 -9.725 1.00 0.00 N ATOM 100 CA LYS A 7 1.715 -11.604 -8.667 1.00 0.00 C ATOM 101 C LYS A 7 2.326 -10.945 -7.423 1.00 0.00 C ATOM 102 O LYS A 7 2.030 -11.361 -6.300 1.00 0.00 O ATOM 103 CB LYS A 7 2.664 -12.670 -9.208 1.00 0.00 C ATOM 104 CG LYS A 7 1.848 -13.642 -10.065 1.00 0.00 C ATOM 105 CD LYS A 7 2.719 -14.810 -10.520 1.00 0.00 C ATOM 106 CE LYS A 7 1.838 -15.810 -11.263 1.00 0.00 C ATOM 107 NZ LYS A 7 2.625 -17.037 -11.579 1.00 0.00 N ATOM 0 HA LYS A 7 0.779 -12.066 -8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.454 -12.210 -9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.149 -13.200 -8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.998 -14.015 -9.494 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.445 -13.121 -10.933 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.520 -14.455 -11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.192 -15.287 -9.662 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.972 -16.069 -10.654 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.459 -15.363 -12.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.021 -17.716 -12.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.438 -16.784 -12.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.966 -17.468 -10.696 1.00 0.00 H new ATOM 121 N GLU A 8 3.180 -9.941 -7.619 1.00 0.00 N ATOM 122 CA GLU A 8 3.830 -9.264 -6.489 1.00 0.00 C ATOM 123 C GLU A 8 2.808 -8.563 -5.585 1.00 0.00 C ATOM 124 O GLU A 8 2.961 -8.548 -4.360 1.00 0.00 O ATOM 125 CB GLU A 8 4.849 -8.242 -7.014 1.00 0.00 C ATOM 126 CG GLU A 8 6.012 -8.977 -7.698 1.00 0.00 C ATOM 127 CD GLU A 8 7.023 -7.968 -8.252 1.00 0.00 C ATOM 128 OE1 GLU A 8 6.778 -7.442 -9.327 1.00 0.00 O ATOM 129 OE2 GLU A 8 8.023 -7.735 -7.593 1.00 0.00 O ATOM 0 H GLU A 8 3.438 -9.579 -8.537 1.00 0.00 H new ATOM 0 HA GLU A 8 4.339 -10.021 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.369 -7.564 -7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.224 -7.632 -6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.502 -9.640 -6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.632 -9.603 -8.506 1.00 0.00 H new ATOM 136 N MET A 9 1.776 -7.983 -6.198 1.00 0.00 N ATOM 137 CA MET A 9 0.733 -7.266 -5.449 1.00 0.00 C ATOM 138 C MET A 9 -0.005 -8.188 -4.479 1.00 0.00 C ATOM 139 O MET A 9 -0.520 -7.724 -3.460 1.00 0.00 O ATOM 140 CB MET A 9 -0.270 -6.624 -6.423 1.00 0.00 C ATOM 141 CG MET A 9 0.266 -5.275 -6.926 1.00 0.00 C ATOM 142 SD MET A 9 1.980 -5.459 -7.494 1.00 0.00 S ATOM 143 CE MET A 9 1.910 -4.266 -8.849 1.00 0.00 C ATOM 0 H MET A 9 1.636 -7.993 -7.208 1.00 0.00 H new ATOM 0 HA MET A 9 1.224 -6.489 -4.863 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.446 -7.291 -7.267 1.00 0.00 H new ATOM 0 HB3 MET A 9 -1.229 -6.480 -5.926 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.358 -4.908 -7.741 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.217 -4.534 -6.128 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.844 -4.298 -9.410 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.080 -4.515 -9.511 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.763 -3.264 -8.445 1.00 0.00 H new ATOM 153 N ARG A 10 -0.065 -9.487 -4.796 1.00 0.00 N ATOM 154 CA ARG A 10 -0.758 -10.458 -3.933 1.00 0.00 C ATOM 155 C ARG A 10 -0.196 -10.437 -2.503 1.00 0.00 C ATOM 156 O ARG A 10 -0.916 -10.732 -1.546 1.00 0.00 O ATOM 157 CB ARG A 10 -0.626 -11.878 -4.512 1.00 0.00 C ATOM 158 CG ARG A 10 -1.330 -11.959 -5.877 1.00 0.00 C ATOM 159 CD ARG A 10 -1.245 -13.389 -6.425 1.00 0.00 C ATOM 160 NE ARG A 10 -2.060 -14.295 -5.611 1.00 0.00 N ATOM 161 CZ ARG A 10 -2.156 -15.600 -5.880 1.00 0.00 C ATOM 162 NH1 ARG A 10 -1.516 -16.121 -6.893 1.00 0.00 N ATOM 163 NH2 ARG A 10 -2.895 -16.361 -5.124 1.00 0.00 N ATOM 0 H ARG A 10 0.353 -9.890 -5.635 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.810 -10.174 -3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.427 -12.138 -4.621 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.064 -12.602 -3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.373 -11.661 -5.776 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.866 -11.264 -6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.588 -13.410 -7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.208 -13.724 -6.426 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.571 -13.917 -4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.936 -15.530 -7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.597 -17.119 -7.089 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.397 -15.960 -4.332 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.972 -17.358 -5.324 1.00 0.00 H new ATOM 177 N ASN A 11 1.092 -10.091 -2.377 1.00 0.00 N ATOM 178 CA ASN A 11 1.752 -10.037 -1.066 1.00 0.00 C ATOM 179 C ASN A 11 1.576 -8.665 -0.391 1.00 0.00 C ATOM 180 O ASN A 11 2.028 -8.475 0.742 1.00 0.00 O ATOM 181 CB ASN A 11 3.252 -10.338 -1.231 1.00 0.00 C ATOM 182 CG ASN A 11 3.455 -11.722 -1.852 1.00 0.00 C ATOM 183 OD1 ASN A 11 4.098 -11.848 -2.893 1.00 0.00 O ATOM 184 ND2 ASN A 11 2.945 -12.772 -1.269 1.00 0.00 N ATOM 0 H ASN A 11 1.695 -9.846 -3.162 1.00 0.00 H new ATOM 0 HA ASN A 11 1.284 -10.787 -0.428 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.714 -9.578 -1.862 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.747 -10.292 -0.261 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.080 -13.697 -1.676 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.412 -12.667 -0.406 1.00 0.00 H new ATOM 191 N ALA A 12 0.921 -7.719 -1.084 1.00 0.00 N ATOM 192 CA ALA A 12 0.699 -6.373 -0.532 1.00 0.00 C ATOM 193 C ALA A 12 -0.151 -5.521 -1.485 1.00 0.00 C ATOM 194 O ALA A 12 0.336 -5.086 -2.534 1.00 0.00 O ATOM 195 CB ALA A 12 2.050 -5.673 -0.302 1.00 0.00 C ATOM 0 H ALA A 12 0.539 -7.860 -2.019 1.00 0.00 H new ATOM 0 HA ALA A 12 0.168 -6.479 0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.879 -4.677 0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.647 -6.256 0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.583 -5.590 -1.249 1.00 0.00 H new ATOM 201 N TYR A 13 -1.417 -5.276 -1.113 1.00 0.00 N ATOM 202 CA TYR A 13 -2.312 -4.462 -1.944 1.00 0.00 C ATOM 203 C TYR A 13 -3.542 -3.990 -1.143 1.00 0.00 C ATOM 204 O TYR A 13 -3.517 -2.900 -0.563 1.00 0.00 O ATOM 205 CB TYR A 13 -2.732 -5.250 -3.201 1.00 0.00 C ATOM 206 CG TYR A 13 -3.447 -4.328 -4.172 1.00 0.00 C ATOM 207 CD1 TYR A 13 -2.703 -3.538 -5.061 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.845 -4.261 -4.187 1.00 0.00 C ATOM 209 CE1 TYR A 13 -3.357 -2.686 -5.960 1.00 0.00 C ATOM 210 CE2 TYR A 13 -5.499 -3.408 -5.085 1.00 0.00 C ATOM 211 CZ TYR A 13 -4.755 -2.621 -5.971 1.00 0.00 C ATOM 212 OH TYR A 13 -5.399 -1.782 -6.856 1.00 0.00 O ATOM 0 H TYR A 13 -1.838 -5.626 -0.253 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.772 -3.570 -2.262 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.854 -5.685 -3.678 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.386 -6.076 -2.922 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.624 -3.587 -5.052 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.421 -4.868 -3.504 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.783 -2.079 -6.645 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.578 -3.358 -5.094 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.368 -1.859 -6.733 1.00 0.00 H new ATOM 222 N TRP A 14 -4.612 -4.804 -1.120 1.00 0.00 N ATOM 223 CA TRP A 14 -5.840 -4.445 -0.395 1.00 0.00 C ATOM 224 C TRP A 14 -5.562 -4.212 1.092 1.00 0.00 C ATOM 225 O TRP A 14 -6.291 -3.465 1.753 1.00 0.00 O ATOM 226 CB TRP A 14 -6.900 -5.549 -0.530 1.00 0.00 C ATOM 227 CG TRP A 14 -7.383 -5.650 -1.945 1.00 0.00 C ATOM 228 CD1 TRP A 14 -8.060 -4.682 -2.608 1.00 0.00 C ATOM 229 CD2 TRP A 14 -7.256 -6.768 -2.874 1.00 0.00 C ATOM 230 NE1 TRP A 14 -8.347 -5.132 -3.885 1.00 0.00 N ATOM 231 CE2 TRP A 14 -7.873 -6.410 -4.096 1.00 0.00 C ATOM 232 CE3 TRP A 14 -6.668 -8.043 -2.777 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -7.908 -7.286 -5.183 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -6.701 -8.926 -3.870 1.00 0.00 C ATOM 235 CH2 TRP A 14 -7.320 -8.548 -5.070 1.00 0.00 C ATOM 0 H TRP A 14 -4.650 -5.708 -1.592 1.00 0.00 H new ATOM 0 HA TRP A 14 -6.212 -3.522 -0.840 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -6.480 -6.504 -0.215 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.740 -5.337 0.132 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -8.331 -3.717 -2.206 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.848 -4.585 -4.585 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -6.189 -8.345 -1.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.386 -6.990 -6.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.247 -9.902 -3.785 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -7.342 -9.232 -5.906 1.00 0.00 H new ATOM 246 N GLU A 15 -4.515 -4.865 1.615 1.00 0.00 N ATOM 247 CA GLU A 15 -4.149 -4.741 3.033 1.00 0.00 C ATOM 248 C GLU A 15 -3.914 -3.276 3.418 1.00 0.00 C ATOM 249 O GLU A 15 -4.238 -2.864 4.535 1.00 0.00 O ATOM 250 CB GLU A 15 -2.880 -5.558 3.328 1.00 0.00 C ATOM 251 CG GLU A 15 -3.173 -7.071 3.210 1.00 0.00 C ATOM 252 CD GLU A 15 -3.260 -7.539 1.744 1.00 0.00 C ATOM 253 OE1 GLU A 15 -2.622 -6.938 0.890 1.00 0.00 O ATOM 254 OE2 GLU A 15 -3.970 -8.502 1.499 1.00 0.00 O ATOM 0 H GLU A 15 -3.907 -5.484 1.078 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.978 -5.127 3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.090 -5.279 2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.517 -5.329 4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.390 -7.631 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.111 -7.298 3.717 1.00 0.00 H new ATOM 261 N ILE A 16 -3.366 -2.497 2.484 1.00 0.00 N ATOM 262 CA ILE A 16 -3.112 -1.076 2.732 1.00 0.00 C ATOM 263 C ILE A 16 -4.436 -0.317 2.861 1.00 0.00 C ATOM 264 O ILE A 16 -4.580 0.555 3.722 1.00 0.00 O ATOM 265 CB ILE A 16 -2.264 -0.480 1.589 1.00 0.00 C ATOM 266 CG1 ILE A 16 -0.913 -1.224 1.509 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.018 1.019 1.843 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.120 -0.758 0.283 1.00 0.00 C ATOM 0 H ILE A 16 -3.091 -2.822 1.557 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.560 -0.976 3.666 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.799 -0.596 0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.335 -1.041 2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.085 -2.299 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.419 1.432 1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.973 1.542 1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.488 1.146 2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.830 -1.291 0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.693 -0.964 -0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.068 0.313 0.357 1.00 0.00 H new ATOM 280 N ALA A 17 -5.393 -0.657 1.992 1.00 0.00 N ATOM 281 CA ALA A 17 -6.708 -0.009 1.998 1.00 0.00 C ATOM 282 C ALA A 17 -7.493 -0.355 3.267 1.00 0.00 C ATOM 283 O ALA A 17 -8.340 0.427 3.706 1.00 0.00 O ATOM 284 CB ALA A 17 -7.509 -0.446 0.766 1.00 0.00 C ATOM 0 H ALA A 17 -5.282 -1.376 1.277 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.552 1.070 1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.485 0.039 0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.971 -0.160 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.641 -1.528 0.783 1.00 0.00 H new ATOM 290 N LEU A 18 -7.215 -1.536 3.835 1.00 0.00 N ATOM 291 CA LEU A 18 -7.908 -1.994 5.045 1.00 0.00 C ATOM 292 C LEU A 18 -7.746 -0.988 6.190 1.00 0.00 C ATOM 293 O LEU A 18 -8.684 -0.769 6.961 1.00 0.00 O ATOM 294 CB LEU A 18 -7.357 -3.366 5.472 1.00 0.00 C ATOM 295 CG LEU A 18 -8.178 -3.941 6.645 1.00 0.00 C ATOM 296 CD1 LEU A 18 -9.588 -4.325 6.169 1.00 0.00 C ATOM 297 CD2 LEU A 18 -7.471 -5.187 7.199 1.00 0.00 C ATOM 0 H LEU A 18 -6.518 -2.189 3.477 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.970 -2.081 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.388 -4.055 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.312 -3.269 5.766 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.260 -3.184 7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.157 -4.729 7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.094 -3.441 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.515 -5.077 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.049 -5.595 8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.386 -5.937 6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.476 -4.915 7.550 1.00 0.00 H new ATOM 309 N LEU A 19 -6.555 -0.384 6.293 1.00 0.00 N ATOM 310 CA LEU A 19 -6.284 0.595 7.350 1.00 0.00 C ATOM 311 C LEU A 19 -7.205 1.821 7.175 1.00 0.00 C ATOM 312 O LEU A 19 -7.188 2.470 6.126 1.00 0.00 O ATOM 313 CB LEU A 19 -4.801 1.010 7.284 1.00 0.00 C ATOM 314 CG LEU A 19 -3.909 0.098 8.169 1.00 0.00 C ATOM 315 CD1 LEU A 19 -4.371 -1.369 8.131 1.00 0.00 C ATOM 316 CD2 LEU A 19 -2.456 0.173 7.672 1.00 0.00 C ATOM 0 H LEU A 19 -5.771 -0.555 5.663 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.485 0.154 8.327 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.456 0.964 6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.698 2.045 7.609 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.988 0.453 9.196 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.720 -1.972 8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.396 -1.437 8.496 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.325 -1.738 7.107 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.826 -0.466 8.291 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.408 -0.164 6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.102 1.202 7.736 1.00 0.00 H new ATOM 328 N PRO A 20 -8.027 2.119 8.172 1.00 0.00 N ATOM 329 CA PRO A 20 -9.010 3.254 8.130 1.00 0.00 C ATOM 330 C PRO A 20 -8.482 4.620 8.594 1.00 0.00 C ATOM 331 O PRO A 20 -9.035 5.652 8.201 1.00 0.00 O ATOM 332 CB PRO A 20 -10.082 2.765 9.102 1.00 0.00 C ATOM 333 CG PRO A 20 -9.306 2.061 10.168 1.00 0.00 C ATOM 334 CD PRO A 20 -8.123 1.397 9.462 1.00 0.00 C ATOM 0 HA PRO A 20 -9.324 3.452 7.105 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.660 3.594 9.510 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.789 2.094 8.613 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.962 2.763 10.928 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.924 1.320 10.675 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.206 1.493 10.043 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.295 0.331 9.312 1.00 0.00 H new ATOM 342 N ASN A 21 -7.463 4.633 9.462 1.00 0.00 N ATOM 343 CA ASN A 21 -6.945 5.895 10.007 1.00 0.00 C ATOM 344 C ASN A 21 -5.934 6.584 9.087 1.00 0.00 C ATOM 345 O ASN A 21 -5.467 7.683 9.404 1.00 0.00 O ATOM 346 CB ASN A 21 -6.333 5.647 11.395 1.00 0.00 C ATOM 347 CG ASN A 21 -5.201 4.626 11.326 1.00 0.00 C ATOM 348 OD1 ASN A 21 -4.894 4.087 10.260 1.00 0.00 O ATOM 349 ND2 ASN A 21 -4.568 4.314 12.418 1.00 0.00 N ATOM 0 H ASN A 21 -6.986 3.797 9.799 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.790 6.578 10.090 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.955 6.585 11.801 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.105 5.292 12.077 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.818 3.624 12.393 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.822 4.760 13.300 1.00 0.00 H new ATOM 356 N LEU A 22 -5.619 5.971 7.939 1.00 0.00 N ATOM 357 CA LEU A 22 -4.685 6.600 7.002 1.00 0.00 C ATOM 358 C LEU A 22 -5.374 7.766 6.314 1.00 0.00 C ATOM 359 O LEU A 22 -6.517 7.635 5.866 1.00 0.00 O ATOM 360 CB LEU A 22 -4.215 5.633 5.906 1.00 0.00 C ATOM 361 CG LEU A 22 -3.519 4.404 6.493 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.579 3.261 5.469 1.00 0.00 C ATOM 363 CD2 LEU A 22 -2.050 4.729 6.774 1.00 0.00 C ATOM 0 H LEU A 22 -5.986 5.066 7.644 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.820 6.921 7.583 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.071 5.316 5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.532 6.151 5.233 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.016 4.114 7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.085 2.380 5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.620 3.024 5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.075 3.567 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.557 3.852 7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.556 5.015 5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.989 5.553 7.485 1.00 0.00 H new ATOM 375 N ASN A 23 -4.670 8.896 6.216 1.00 0.00 N ATOM 376 CA ASN A 23 -5.229 10.081 5.543 1.00 0.00 C ATOM 377 C ASN A 23 -5.739 9.689 4.149 1.00 0.00 C ATOM 378 O ASN A 23 -5.177 8.793 3.512 1.00 0.00 O ATOM 379 CB ASN A 23 -4.168 11.181 5.411 1.00 0.00 C ATOM 380 CG ASN A 23 -4.799 12.452 4.844 1.00 0.00 C ATOM 381 OD1 ASN A 23 -4.714 12.708 3.642 1.00 0.00 O ATOM 382 ND2 ASN A 23 -5.432 13.268 5.642 1.00 0.00 N ATOM 0 H ASN A 23 -3.727 9.020 6.586 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.055 10.464 6.143 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.725 11.389 6.385 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.362 10.844 4.759 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.856 14.118 5.270 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.502 13.056 6.637 1.00 0.00 H new ATOM 389 N ASN A 24 -6.819 10.341 3.704 1.00 0.00 N ATOM 390 CA ASN A 24 -7.429 10.037 2.399 1.00 0.00 C ATOM 391 C ASN A 24 -6.394 10.042 1.265 1.00 0.00 C ATOM 392 O ASN A 24 -6.443 9.190 0.373 1.00 0.00 O ATOM 393 CB ASN A 24 -8.527 11.065 2.090 1.00 0.00 C ATOM 394 CG ASN A 24 -9.647 10.968 3.124 1.00 0.00 C ATOM 395 OD1 ASN A 24 -9.523 11.505 4.224 1.00 0.00 O ATOM 396 ND2 ASN A 24 -10.735 10.309 2.837 1.00 0.00 N ATOM 0 H ASN A 24 -7.290 11.081 4.225 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.854 9.035 2.460 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.105 12.070 2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.928 10.891 1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.485 10.238 3.525 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.836 9.864 1.925 1.00 0.00 H new ATOM 403 N GLN A 25 -5.469 11.002 1.310 1.00 0.00 N ATOM 404 CA GLN A 25 -4.429 11.110 0.283 1.00 0.00 C ATOM 405 C GLN A 25 -3.439 9.945 0.364 1.00 0.00 C ATOM 406 O GLN A 25 -3.012 9.412 -0.664 1.00 0.00 O ATOM 407 CB GLN A 25 -3.667 12.436 0.444 1.00 0.00 C ATOM 408 CG GLN A 25 -4.613 13.621 0.183 1.00 0.00 C ATOM 409 CD GLN A 25 -3.879 14.954 0.362 1.00 0.00 C ATOM 410 OE1 GLN A 25 -2.928 15.051 1.141 1.00 0.00 O ATOM 411 NE2 GLN A 25 -4.271 15.996 -0.316 1.00 0.00 N ATOM 0 H GLN A 25 -5.418 11.712 2.041 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.919 11.079 -0.690 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.251 12.506 1.449 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.828 12.470 -0.251 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.015 13.555 -0.828 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.460 13.573 0.867 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.057 15.918 -0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.791 16.889 -0.202 1.00 0.00 H new ATOM 420 N GLN A 26 -3.062 9.574 1.591 1.00 0.00 N ATOM 421 CA GLN A 26 -2.094 8.493 1.814 1.00 0.00 C ATOM 422 C GLN A 26 -2.596 7.143 1.290 1.00 0.00 C ATOM 423 O GLN A 26 -1.813 6.374 0.724 1.00 0.00 O ATOM 424 CB GLN A 26 -1.766 8.388 3.310 1.00 0.00 C ATOM 425 CG GLN A 26 -1.004 9.647 3.760 1.00 0.00 C ATOM 426 CD GLN A 26 -0.735 9.603 5.263 1.00 0.00 C ATOM 427 OE1 GLN A 26 0.408 9.737 5.696 1.00 0.00 O ATOM 428 NE2 GLN A 26 -1.729 9.421 6.088 1.00 0.00 N ATOM 0 H GLN A 26 -3.412 10.006 2.446 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.193 8.741 1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.684 8.280 3.887 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.164 7.499 3.499 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.061 9.721 3.218 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.584 10.537 3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.677 9.310 5.728 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.558 9.390 7.093 1.00 0.00 H new ATOM 437 N LYS A 27 -3.891 6.853 1.476 1.00 0.00 N ATOM 438 CA LYS A 27 -4.456 5.579 1.007 1.00 0.00 C ATOM 439 C LYS A 27 -4.290 5.438 -0.507 1.00 0.00 C ATOM 440 O LYS A 27 -3.608 4.525 -0.984 1.00 0.00 O ATOM 441 CB LYS A 27 -5.948 5.481 1.363 1.00 0.00 C ATOM 442 CG LYS A 27 -6.130 5.130 2.844 1.00 0.00 C ATOM 443 CD LYS A 27 -7.594 4.717 3.091 1.00 0.00 C ATOM 444 CE LYS A 27 -8.259 5.666 4.094 1.00 0.00 C ATOM 445 NZ LYS A 27 -7.882 5.272 5.485 1.00 0.00 N ATOM 0 H LYS A 27 -4.558 7.471 1.939 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.915 4.774 1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.442 6.428 1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.426 4.722 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.459 4.318 3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.871 5.986 3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.145 4.729 2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.631 3.695 3.469 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.948 6.692 3.899 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.342 5.633 3.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.718 5.332 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.522 4.296 5.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.144 5.913 5.840 1.00 0.00 H new ATOM 459 N ARG A 28 -4.921 6.351 -1.246 1.00 0.00 N ATOM 460 CA ARG A 28 -4.856 6.343 -2.710 1.00 0.00 C ATOM 461 C ARG A 28 -3.407 6.452 -3.200 1.00 0.00 C ATOM 462 O ARG A 28 -3.061 5.912 -4.258 1.00 0.00 O ATOM 463 CB ARG A 28 -5.678 7.513 -3.278 1.00 0.00 C ATOM 464 CG ARG A 28 -7.165 7.336 -2.928 1.00 0.00 C ATOM 465 CD ARG A 28 -7.991 8.448 -3.588 1.00 0.00 C ATOM 466 NE ARG A 28 -9.379 8.395 -3.118 1.00 0.00 N ATOM 467 CZ ARG A 28 -10.305 9.261 -3.540 1.00 0.00 C ATOM 468 NH1 ARG A 28 -10.001 10.198 -4.397 1.00 0.00 N ATOM 469 NH2 ARG A 28 -11.524 9.170 -3.091 1.00 0.00 N ATOM 0 H ARG A 28 -5.484 7.107 -0.855 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.270 5.397 -3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.311 8.456 -2.872 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.555 7.562 -4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.514 6.361 -3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.299 7.364 -1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.557 9.420 -3.355 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.962 8.338 -4.672 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.646 7.674 -2.448 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.048 10.275 -4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.717 10.853 -4.712 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.768 8.441 -2.421 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.235 9.828 -3.409 1.00 0.00 H new ATOM 483 N ALA A 29 -2.573 7.168 -2.437 1.00 0.00 N ATOM 484 CA ALA A 29 -1.170 7.361 -2.808 1.00 0.00 C ATOM 485 C ALA A 29 -0.412 6.031 -2.877 1.00 0.00 C ATOM 486 O ALA A 29 0.317 5.792 -3.841 1.00 0.00 O ATOM 487 CB ALA A 29 -0.483 8.296 -1.804 1.00 0.00 C ATOM 0 H ALA A 29 -2.845 7.620 -1.564 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.152 7.810 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.560 8.433 -2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.988 9.262 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.532 7.858 -0.807 1.00 0.00 H new ATOM 493 N PHE A 30 -0.571 5.176 -1.854 1.00 0.00 N ATOM 494 CA PHE A 30 0.130 3.884 -1.834 1.00 0.00 C ATOM 495 C PHE A 30 -0.235 3.019 -3.037 1.00 0.00 C ATOM 496 O PHE A 30 0.651 2.494 -3.718 1.00 0.00 O ATOM 497 CB PHE A 30 -0.196 3.110 -0.552 1.00 0.00 C ATOM 498 CG PHE A 30 0.629 3.649 0.601 1.00 0.00 C ATOM 499 CD1 PHE A 30 2.027 3.571 0.545 1.00 0.00 C ATOM 500 CD2 PHE A 30 0.007 4.219 1.718 1.00 0.00 C ATOM 501 CE1 PHE A 30 2.802 4.061 1.600 1.00 0.00 C ATOM 502 CE2 PHE A 30 0.783 4.708 2.775 1.00 0.00 C ATOM 503 CZ PHE A 30 2.182 4.629 2.715 1.00 0.00 C ATOM 0 H PHE A 30 -1.167 5.351 -1.045 1.00 0.00 H new ATOM 0 HA PHE A 30 1.196 4.106 -1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.258 3.199 -0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.012 2.049 -0.694 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.507 3.131 -0.316 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.070 4.281 1.764 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.879 4.000 1.553 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.304 5.147 3.638 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.780 5.007 3.531 1.00 0.00 H new ATOM 513 N ILE A 31 -1.539 2.866 -3.291 1.00 0.00 N ATOM 514 CA ILE A 31 -2.002 2.045 -4.419 1.00 0.00 C ATOM 515 C ILE A 31 -1.369 2.533 -5.731 1.00 0.00 C ATOM 516 O ILE A 31 -0.917 1.723 -6.546 1.00 0.00 O ATOM 517 CB ILE A 31 -3.547 2.065 -4.501 1.00 0.00 C ATOM 518 CG1 ILE A 31 -4.128 1.428 -3.217 1.00 0.00 C ATOM 519 CG2 ILE A 31 -4.023 1.270 -5.732 1.00 0.00 C ATOM 520 CD1 ILE A 31 -5.662 1.486 -3.229 1.00 0.00 C ATOM 0 H ILE A 31 -2.284 3.292 -2.741 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.687 1.014 -4.257 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.891 3.095 -4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.799 0.392 -3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.746 1.951 -2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.112 1.291 -5.780 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.611 1.719 -6.636 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.683 0.237 -5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.050 1.033 -2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.986 2.525 -3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.040 0.941 -4.094 1.00 0.00 H new ATOM 532 N ARG A 32 -1.322 3.855 -5.909 1.00 0.00 N ATOM 533 CA ARG A 32 -0.719 4.450 -7.107 1.00 0.00 C ATOM 534 C ARG A 32 0.808 4.262 -7.110 1.00 0.00 C ATOM 535 O ARG A 32 1.412 4.039 -8.168 1.00 0.00 O ATOM 536 CB ARG A 32 -1.071 5.943 -7.169 1.00 0.00 C ATOM 537 CG ARG A 32 -2.566 6.107 -7.492 1.00 0.00 C ATOM 538 CD ARG A 32 -2.944 7.594 -7.490 1.00 0.00 C ATOM 539 NE ARG A 32 -2.820 8.140 -6.137 1.00 0.00 N ATOM 540 CZ ARG A 32 -2.991 9.439 -5.875 1.00 0.00 C ATOM 541 NH1 ARG A 32 -3.261 10.283 -6.834 1.00 0.00 N ATOM 542 NH2 ARG A 32 -2.887 9.866 -4.649 1.00 0.00 N ATOM 0 H ARG A 32 -1.692 4.533 -5.243 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.119 3.945 -7.986 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.839 6.421 -6.217 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.468 6.438 -7.930 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.786 5.669 -8.465 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.166 5.570 -6.758 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.297 8.143 -8.174 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.966 7.719 -7.849 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.596 7.508 -5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.344 9.953 -7.796 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.389 11.272 -6.622 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.676 9.210 -3.897 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.016 10.856 -4.441 1.00 0.00 H new ATOM 556 N SER A 33 1.423 4.358 -5.922 1.00 0.00 N ATOM 557 CA SER A 33 2.878 4.206 -5.795 1.00 0.00 C ATOM 558 C SER A 33 3.338 2.844 -6.319 1.00 0.00 C ATOM 559 O SER A 33 4.415 2.740 -6.913 1.00 0.00 O ATOM 560 CB SER A 33 3.312 4.371 -4.334 1.00 0.00 C ATOM 561 OG SER A 33 2.990 5.683 -3.892 1.00 0.00 O ATOM 0 H SER A 33 0.939 4.539 -5.042 1.00 0.00 H new ATOM 0 HA SER A 33 3.345 4.986 -6.397 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.812 3.632 -3.709 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.384 4.196 -4.239 1.00 0.00 H new ATOM 0 HG SER A 33 2.017 5.801 -3.900 1.00 0.00 H new ATOM 567 N LEU A 34 2.517 1.806 -6.104 1.00 0.00 N ATOM 568 CA LEU A 34 2.857 0.455 -6.575 1.00 0.00 C ATOM 569 C LEU A 34 3.089 0.461 -8.086 1.00 0.00 C ATOM 570 O LEU A 34 4.031 -0.165 -8.579 1.00 0.00 O ATOM 571 CB LEU A 34 1.728 -0.531 -6.237 1.00 0.00 C ATOM 572 CG LEU A 34 1.606 -0.706 -4.712 1.00 0.00 C ATOM 573 CD1 LEU A 34 0.230 -1.290 -4.370 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.698 -1.666 -4.212 1.00 0.00 C ATOM 0 H LEU A 34 1.625 1.873 -5.614 1.00 0.00 H new ATOM 0 HA LEU A 34 3.771 0.140 -6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.785 -0.167 -6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.926 -1.495 -6.705 1.00 0.00 H new ATOM 0 HG LEU A 34 1.723 0.265 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.145 -1.413 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.550 -0.614 -4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.115 -2.259 -4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.609 -1.788 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.581 -2.635 -4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.680 -1.257 -4.451 1.00 0.00 H new ATOM 586 N TYR A 35 2.233 1.193 -8.808 1.00 0.00 N ATOM 587 CA TYR A 35 2.362 1.302 -10.258 1.00 0.00 C ATOM 588 C TYR A 35 3.674 2.005 -10.605 1.00 0.00 C ATOM 589 O TYR A 35 4.384 1.594 -11.527 1.00 0.00 O ATOM 590 CB TYR A 35 1.173 2.087 -10.837 1.00 0.00 C ATOM 591 CG TYR A 35 1.238 2.079 -12.355 1.00 0.00 C ATOM 592 CD1 TYR A 35 0.705 1.001 -13.075 1.00 0.00 C ATOM 593 CD2 TYR A 35 1.835 3.149 -13.039 1.00 0.00 C ATOM 594 CE1 TYR A 35 0.767 0.993 -14.473 1.00 0.00 C ATOM 595 CE2 TYR A 35 1.895 3.138 -14.439 1.00 0.00 C ATOM 596 CZ TYR A 35 1.362 2.061 -15.154 1.00 0.00 C ATOM 597 OH TYR A 35 1.423 2.051 -16.533 1.00 0.00 O ATOM 0 H TYR A 35 1.450 1.714 -8.412 1.00 0.00 H new ATOM 0 HA TYR A 35 2.365 0.303 -10.693 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.235 1.643 -10.502 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.189 3.113 -10.469 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.246 0.176 -12.550 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.248 3.980 -12.487 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.355 0.162 -15.027 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.353 3.962 -14.966 1.00 0.00 H new ATOM 0 HH TYR A 35 1.866 2.867 -16.847 1.00 0.00 H new ATOM 607 N ASP A 36 3.981 3.070 -9.853 1.00 0.00 N ATOM 608 CA ASP A 36 5.208 3.840 -10.073 1.00 0.00 C ATOM 609 C ASP A 36 6.455 2.971 -9.877 1.00 0.00 C ATOM 610 O ASP A 36 7.433 3.113 -10.615 1.00 0.00 O ATOM 611 CB ASP A 36 5.254 5.037 -9.114 1.00 0.00 C ATOM 612 CG ASP A 36 6.439 5.942 -9.461 1.00 0.00 C ATOM 613 OD1 ASP A 36 6.288 6.769 -10.348 1.00 0.00 O ATOM 614 OD2 ASP A 36 7.478 5.795 -8.838 1.00 0.00 O ATOM 0 H ASP A 36 3.398 3.415 -9.091 1.00 0.00 H new ATOM 0 HA ASP A 36 5.201 4.196 -11.103 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.324 5.601 -9.179 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.343 4.686 -8.086 1.00 0.00 H new ATOM 619 N ASP A 37 6.414 2.079 -8.877 1.00 0.00 N ATOM 620 CA ASP A 37 7.555 1.195 -8.593 1.00 0.00 C ATOM 621 C ASP A 37 7.120 -0.011 -7.720 1.00 0.00 C ATOM 622 O ASP A 37 7.071 0.103 -6.487 1.00 0.00 O ATOM 623 CB ASP A 37 8.674 1.995 -7.887 1.00 0.00 C ATOM 624 CG ASP A 37 9.988 1.869 -8.663 1.00 0.00 C ATOM 625 OD1 ASP A 37 10.511 0.767 -8.723 1.00 0.00 O ATOM 626 OD2 ASP A 37 10.452 2.872 -9.182 1.00 0.00 O ATOM 0 H ASP A 37 5.614 1.950 -8.258 1.00 0.00 H new ATOM 0 HA ASP A 37 7.935 0.805 -9.538 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.388 3.044 -7.811 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.808 1.626 -6.870 1.00 0.00 H new ATOM 631 N PRO A 38 6.806 -1.166 -8.314 1.00 0.00 N ATOM 632 CA PRO A 38 6.380 -2.371 -7.526 1.00 0.00 C ATOM 633 C PRO A 38 7.501 -2.892 -6.624 1.00 0.00 C ATOM 634 O PRO A 38 7.252 -3.667 -5.697 1.00 0.00 O ATOM 635 CB PRO A 38 6.003 -3.409 -8.594 1.00 0.00 C ATOM 636 CG PRO A 38 6.730 -2.989 -9.825 1.00 0.00 C ATOM 637 CD PRO A 38 6.824 -1.466 -9.769 1.00 0.00 C ATOM 0 HA PRO A 38 5.555 -2.142 -6.851 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.296 -4.413 -8.287 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.926 -3.428 -8.761 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.722 -3.439 -9.863 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.199 -3.313 -10.720 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.737 -1.103 -10.241 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.988 -0.994 -10.286 1.00 0.00 H new ATOM 645 N SER A 39 8.731 -2.464 -6.913 1.00 0.00 N ATOM 646 CA SER A 39 9.897 -2.888 -6.139 1.00 0.00 C ATOM 647 C SER A 39 9.779 -2.468 -4.671 1.00 0.00 C ATOM 648 O SER A 39 10.384 -3.097 -3.799 1.00 0.00 O ATOM 649 CB SER A 39 11.170 -2.281 -6.741 1.00 0.00 C ATOM 650 OG SER A 39 11.172 -0.870 -6.537 1.00 0.00 O ATOM 0 H SER A 39 8.945 -1.824 -7.678 1.00 0.00 H new ATOM 0 HA SER A 39 9.947 -3.976 -6.181 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.051 -2.726 -6.278 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.222 -2.504 -7.807 1.00 0.00 H new ATOM 0 HG SER A 39 10.912 -0.419 -7.367 1.00 0.00 H new ATOM 656 N GLN A 40 9.022 -1.392 -4.407 1.00 0.00 N ATOM 657 CA GLN A 40 8.862 -0.885 -3.041 1.00 0.00 C ATOM 658 C GLN A 40 7.623 -1.469 -2.350 1.00 0.00 C ATOM 659 O GLN A 40 7.343 -1.107 -1.210 1.00 0.00 O ATOM 660 CB GLN A 40 8.745 0.654 -3.064 1.00 0.00 C ATOM 661 CG GLN A 40 9.872 1.273 -3.905 1.00 0.00 C ATOM 662 CD GLN A 40 11.240 0.922 -3.320 1.00 0.00 C ATOM 663 OE1 GLN A 40 11.533 1.267 -2.176 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.095 0.247 -4.039 1.00 0.00 N ATOM 0 H GLN A 40 8.516 -0.862 -5.117 1.00 0.00 H new ATOM 0 HA GLN A 40 9.742 -1.193 -2.477 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.778 0.944 -3.474 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.789 1.042 -2.046 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.807 0.912 -4.931 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.753 2.356 -3.940 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.851 -0.038 -4.987 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.007 0.005 -3.653 1.00 0.00 H new ATOM 673 N SER A 41 6.881 -2.355 -3.035 1.00 0.00 N ATOM 674 CA SER A 41 5.655 -2.949 -2.461 1.00 0.00 C ATOM 675 C SER A 41 5.851 -3.388 -1.005 1.00 0.00 C ATOM 676 O SER A 41 4.964 -3.183 -0.168 1.00 0.00 O ATOM 677 CB SER A 41 5.205 -4.150 -3.299 1.00 0.00 C ATOM 678 OG SER A 41 4.847 -3.709 -4.601 1.00 0.00 O ATOM 0 H SER A 41 7.103 -2.675 -3.978 1.00 0.00 H new ATOM 0 HA SER A 41 4.887 -2.175 -2.478 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.007 -4.886 -3.360 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.356 -4.642 -2.823 1.00 0.00 H new ATOM 0 HG SER A 41 5.629 -3.758 -5.190 1.00 0.00 H new ATOM 684 N ALA A 42 7.015 -3.964 -0.706 1.00 0.00 N ATOM 685 CA ALA A 42 7.316 -4.400 0.657 1.00 0.00 C ATOM 686 C ALA A 42 7.446 -3.189 1.584 1.00 0.00 C ATOM 687 O ALA A 42 6.878 -3.167 2.684 1.00 0.00 O ATOM 688 CB ALA A 42 8.620 -5.206 0.672 1.00 0.00 C ATOM 0 H ALA A 42 7.759 -4.138 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 42 6.500 -5.030 1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.837 -5.527 1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.514 -6.081 0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.437 -4.584 0.306 1.00 0.00 H new ATOM 694 N ASN A 43 8.194 -2.179 1.124 1.00 0.00 N ATOM 695 CA ASN A 43 8.404 -0.959 1.903 1.00 0.00 C ATOM 696 C ASN A 43 7.096 -0.198 2.092 1.00 0.00 C ATOM 697 O ASN A 43 6.793 0.248 3.195 1.00 0.00 O ATOM 698 CB ASN A 43 9.410 -0.037 1.197 1.00 0.00 C ATOM 699 CG ASN A 43 10.781 -0.702 1.052 1.00 0.00 C ATOM 700 OD1 ASN A 43 11.066 -1.720 1.687 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.655 -0.168 0.249 1.00 0.00 N ATOM 0 H ASN A 43 8.662 -2.185 0.218 1.00 0.00 H new ATOM 0 HA ASN A 43 8.793 -1.256 2.877 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.029 0.231 0.211 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.513 0.890 1.761 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.577 -0.592 0.144 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.418 0.674 -0.276 1.00 0.00 H new ATOM 708 N LEU A 44 6.332 -0.044 1.002 1.00 0.00 N ATOM 709 CA LEU A 44 5.059 0.684 1.044 1.00 0.00 C ATOM 710 C LEU A 44 4.109 0.075 2.077 1.00 0.00 C ATOM 711 O LEU A 44 3.440 0.804 2.811 1.00 0.00 O ATOM 712 CB LEU A 44 4.382 0.646 -0.325 1.00 0.00 C ATOM 713 CG LEU A 44 5.252 1.312 -1.423 1.00 0.00 C ATOM 714 CD1 LEU A 44 4.488 1.302 -2.753 1.00 0.00 C ATOM 715 CD2 LEU A 44 5.590 2.764 -1.051 1.00 0.00 C ATOM 0 H LEU A 44 6.574 -0.414 0.083 1.00 0.00 H new ATOM 0 HA LEU A 44 5.279 1.714 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.180 -0.389 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.419 1.154 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 44 6.181 0.749 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.098 1.770 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.267 0.273 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.556 1.856 -2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.201 3.208 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.668 3.335 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.141 2.780 -0.111 1.00 0.00 H new ATOM 727 N LEU A 45 4.064 -1.262 2.136 1.00 0.00 N ATOM 728 CA LEU A 45 3.203 -1.955 3.100 1.00 0.00 C ATOM 729 C LEU A 45 3.634 -1.596 4.523 1.00 0.00 C ATOM 730 O LEU A 45 2.802 -1.234 5.362 1.00 0.00 O ATOM 731 CB LEU A 45 3.292 -3.475 2.872 1.00 0.00 C ATOM 732 CG LEU A 45 2.602 -4.254 4.016 1.00 0.00 C ATOM 733 CD1 LEU A 45 1.112 -3.888 4.094 1.00 0.00 C ATOM 734 CD2 LEU A 45 2.741 -5.765 3.768 1.00 0.00 C ATOM 0 H LEU A 45 4.608 -1.880 1.534 1.00 0.00 H new ATOM 0 HA LEU A 45 2.168 -1.642 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.825 -3.731 1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.338 -3.774 2.804 1.00 0.00 H new ATOM 0 HG LEU A 45 3.082 -3.987 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.642 -4.445 4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.009 -2.819 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.626 -4.139 3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.254 -6.312 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.270 -6.023 2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.797 -6.032 3.734 1.00 0.00 H new ATOM 746 N ALA A 46 4.941 -1.677 4.771 1.00 0.00 N ATOM 747 CA ALA A 46 5.492 -1.335 6.085 1.00 0.00 C ATOM 748 C ALA A 46 5.221 0.139 6.389 1.00 0.00 C ATOM 749 O ALA A 46 4.868 0.502 7.514 1.00 0.00 O ATOM 750 CB ALA A 46 7.001 -1.595 6.103 1.00 0.00 C ATOM 0 H ALA A 46 5.635 -1.974 4.085 1.00 0.00 H new ATOM 0 HA ALA A 46 5.014 -1.955 6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.403 -1.338 7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.191 -2.648 5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.485 -0.984 5.341 1.00 0.00 H new ATOM 756 N GLU A 47 5.385 0.972 5.358 1.00 0.00 N ATOM 757 CA GLU A 47 5.160 2.411 5.471 1.00 0.00 C ATOM 758 C GLU A 47 3.695 2.704 5.792 1.00 0.00 C ATOM 759 O GLU A 47 3.392 3.581 6.608 1.00 0.00 O ATOM 760 CB GLU A 47 5.547 3.089 4.147 1.00 0.00 C ATOM 761 CG GLU A 47 7.079 3.192 4.025 1.00 0.00 C ATOM 762 CD GLU A 47 7.649 4.141 5.089 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.270 5.303 5.090 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.469 3.695 5.879 1.00 0.00 O ATOM 0 H GLU A 47 5.676 0.668 4.429 1.00 0.00 H new ATOM 0 HA GLU A 47 5.775 2.803 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.146 2.519 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.104 4.084 4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.524 2.203 4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.346 3.551 3.031 1.00 0.00 H new ATOM 771 N ALA A 48 2.790 1.953 5.156 1.00 0.00 N ATOM 772 CA ALA A 48 1.359 2.125 5.391 1.00 0.00 C ATOM 773 C ALA A 48 1.040 1.777 6.839 1.00 0.00 C ATOM 774 O ALA A 48 0.285 2.487 7.509 1.00 0.00 O ATOM 775 CB ALA A 48 0.556 1.224 4.449 1.00 0.00 C ATOM 0 H ALA A 48 3.024 1.226 4.480 1.00 0.00 H new ATOM 0 HA ALA A 48 1.086 3.162 5.197 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.509 1.362 4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.781 1.486 3.415 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.823 0.182 4.626 1.00 0.00 H new ATOM 781 N LYS A 49 1.646 0.689 7.319 1.00 0.00 N ATOM 782 CA LYS A 49 1.447 0.258 8.696 1.00 0.00 C ATOM 783 C LYS A 49 2.020 1.313 9.643 1.00 0.00 C ATOM 784 O LYS A 49 1.442 1.594 10.693 1.00 0.00 O ATOM 785 CB LYS A 49 2.140 -1.093 8.939 1.00 0.00 C ATOM 786 CG LYS A 49 1.307 -1.940 9.915 1.00 0.00 C ATOM 787 CD LYS A 49 2.211 -2.954 10.631 1.00 0.00 C ATOM 788 CE LYS A 49 1.408 -4.211 10.987 1.00 0.00 C ATOM 789 NZ LYS A 49 2.251 -5.120 11.816 1.00 0.00 N ATOM 0 H LYS A 49 2.274 0.097 6.775 1.00 0.00 H new ATOM 0 HA LYS A 49 0.380 0.139 8.882 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.262 -1.624 7.995 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.139 -0.932 9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.820 -1.294 10.646 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.517 -2.462 9.374 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.053 -3.219 9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.626 -2.509 11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.505 -3.937 11.532 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.089 -4.721 10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.707 -5.973 12.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.100 -5.391 11.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.534 -4.631 12.689 1.00 0.00 H new ATOM 803 N LYS A 50 3.165 1.894 9.249 1.00 0.00 N ATOM 804 CA LYS A 50 3.827 2.924 10.051 1.00 0.00 C ATOM 805 C LYS A 50 2.894 4.114 10.271 1.00 0.00 C ATOM 806 O LYS A 50 2.759 4.607 11.395 1.00 0.00 O ATOM 807 CB LYS A 50 5.095 3.390 9.324 1.00 0.00 C ATOM 808 CG LYS A 50 5.937 4.286 10.245 1.00 0.00 C ATOM 809 CD LYS A 50 7.267 4.632 9.556 1.00 0.00 C ATOM 810 CE LYS A 50 7.055 5.736 8.511 1.00 0.00 C ATOM 811 NZ LYS A 50 8.290 5.884 7.690 1.00 0.00 N ATOM 0 H LYS A 50 3.647 1.665 8.380 1.00 0.00 H new ATOM 0 HA LYS A 50 4.089 2.505 11.023 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.681 2.526 9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.825 3.937 8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.390 5.199 10.480 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.127 3.776 11.190 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.994 4.960 10.299 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.678 3.743 9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.207 5.489 7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.818 6.679 9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.115 6.558 6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.064 6.236 8.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.554 4.961 7.290 1.00 0.00 H new ATOM 825 N LEU A 51 2.240 4.553 9.190 1.00 0.00 N ATOM 826 CA LEU A 51 1.300 5.672 9.268 1.00 0.00 C ATOM 827 C LEU A 51 0.128 5.304 10.177 1.00 0.00 C ATOM 828 O LEU A 51 -0.291 6.106 11.013 1.00 0.00 O ATOM 829 CB LEU A 51 0.802 6.033 7.859 1.00 0.00 C ATOM 830 CG LEU A 51 1.912 6.774 7.090 1.00 0.00 C ATOM 831 CD1 LEU A 51 1.550 6.841 5.604 1.00 0.00 C ATOM 832 CD2 LEU A 51 2.075 8.200 7.645 1.00 0.00 C ATOM 0 H LEU A 51 2.344 4.153 8.258 1.00 0.00 H new ATOM 0 HA LEU A 51 1.805 6.540 9.691 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.515 5.129 7.322 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.087 6.660 7.927 1.00 0.00 H new ATOM 0 HG LEU A 51 2.851 6.234 7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.336 7.366 5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.448 5.830 5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.607 7.375 5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.862 8.717 7.095 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.137 8.744 7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.342 8.151 8.701 1.00 0.00 H new ATOM 844 N ASN A 52 -0.376 4.077 10.018 1.00 0.00 N ATOM 845 CA ASN A 52 -1.482 3.585 10.842 1.00 0.00 C ATOM 846 C ASN A 52 -1.080 3.574 12.318 1.00 0.00 C ATOM 847 O ASN A 52 -1.822 4.053 13.175 1.00 0.00 O ATOM 848 CB ASN A 52 -1.865 2.165 10.388 1.00 0.00 C ATOM 849 CG ASN A 52 -2.792 1.485 11.400 1.00 0.00 C ATOM 850 OD1 ASN A 52 -2.335 0.698 12.231 1.00 0.00 O ATOM 851 ND2 ASN A 52 -4.067 1.738 11.380 1.00 0.00 N ATOM 0 H ASN A 52 -0.036 3.408 9.327 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.340 4.247 10.723 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.357 2.212 9.416 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.963 1.567 10.260 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.687 1.285 12.051 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.447 2.389 10.693 1.00 0.00 H new ATOM 858 N ASP A 53 0.098 3.015 12.592 1.00 0.00 N ATOM 859 CA ASP A 53 0.608 2.923 13.959 1.00 0.00 C ATOM 860 C ASP A 53 0.807 4.312 14.577 1.00 0.00 C ATOM 861 O ASP A 53 0.553 4.506 15.768 1.00 0.00 O ATOM 862 CB ASP A 53 1.944 2.155 13.959 1.00 0.00 C ATOM 863 CG ASP A 53 1.753 0.689 13.527 1.00 0.00 C ATOM 864 OD1 ASP A 53 0.731 0.104 13.860 1.00 0.00 O ATOM 865 OD2 ASP A 53 2.649 0.163 12.884 1.00 0.00 O ATOM 0 H ASP A 53 0.717 2.619 11.885 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.127 2.390 14.562 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.647 2.645 13.285 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.383 2.187 14.956 1.00 0.00 H new ATOM 870 N ALA A 54 1.281 5.261 13.765 1.00 0.00 N ATOM 871 CA ALA A 54 1.537 6.625 14.240 1.00 0.00 C ATOM 872 C ALA A 54 0.243 7.429 14.424 1.00 0.00 C ATOM 873 O ALA A 54 0.031 8.040 15.475 1.00 0.00 O ATOM 874 CB ALA A 54 2.449 7.347 13.241 1.00 0.00 C ATOM 0 H ALA A 54 1.495 5.112 12.779 1.00 0.00 H new ATOM 0 HA ALA A 54 2.019 6.551 15.215 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.641 8.361 13.591 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.392 6.808 13.154 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.962 7.386 12.266 1.00 0.00 H new ATOM 880 N GLN A 55 -0.604 7.440 13.389 1.00 0.00 N ATOM 881 CA GLN A 55 -1.868 8.195 13.428 1.00 0.00 C ATOM 882 C GLN A 55 -2.855 7.608 14.442 1.00 0.00 C ATOM 883 O GLN A 55 -3.709 8.332 14.962 1.00 0.00 O ATOM 884 CB GLN A 55 -2.521 8.217 12.036 1.00 0.00 C ATOM 885 CG GLN A 55 -1.634 8.982 11.044 1.00 0.00 C ATOM 886 CD GLN A 55 -2.046 8.627 9.621 1.00 0.00 C ATOM 887 OE1 GLN A 55 -2.338 9.507 8.811 1.00 0.00 O ATOM 888 NE2 GLN A 55 -2.087 7.371 9.271 1.00 0.00 N ATOM 0 H GLN A 55 -0.441 6.938 12.516 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.625 9.211 13.739 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.677 7.197 11.684 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.502 8.687 12.095 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.731 10.056 11.205 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.586 8.728 11.205 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.844 6.645 9.946 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.362 7.115 8.323 1.00 0.00 H new ATOM 897 N ALA A 56 -2.752 6.300 14.696 1.00 0.00 N ATOM 898 CA ALA A 56 -3.660 5.625 15.630 1.00 0.00 C ATOM 899 C ALA A 56 -3.636 6.284 17.019 1.00 0.00 C ATOM 900 O ALA A 56 -2.584 6.740 17.474 1.00 0.00 O ATOM 901 CB ALA A 56 -3.276 4.148 15.764 1.00 0.00 C ATOM 0 H ALA A 56 -2.054 5.690 14.271 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.669 5.711 15.226 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.956 3.657 16.460 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.342 3.665 14.789 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.255 4.070 16.139 1.00 0.00 H new ATOM 907 N PRO A 57 -4.774 6.333 17.694 1.00 0.00 N ATOM 908 CA PRO A 57 -4.888 6.941 19.059 1.00 0.00 C ATOM 909 C PRO A 57 -4.280 6.047 20.142 1.00 0.00 C ATOM 910 O PRO A 57 -4.221 4.823 19.987 1.00 0.00 O ATOM 911 CB PRO A 57 -6.399 7.101 19.257 1.00 0.00 C ATOM 912 CG PRO A 57 -7.018 6.033 18.417 1.00 0.00 C ATOM 913 CD PRO A 57 -6.078 5.809 17.232 1.00 0.00 C ATOM 0 HA PRO A 57 -4.343 7.882 19.138 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.673 6.986 20.306 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.734 8.091 18.946 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.145 5.114 18.990 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.008 6.334 18.075 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.012 4.753 16.971 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.426 6.336 16.343 1.00 0.00 H new ATOM 921 N LYS A 58 -3.838 6.674 21.237 1.00 0.00 N ATOM 922 CA LYS A 58 -3.233 5.949 22.362 1.00 0.00 C ATOM 923 C LYS A 58 -4.239 5.806 23.511 1.00 0.00 C ATOM 924 O LYS A 58 -4.464 4.687 23.944 1.00 0.00 O ATOM 925 CB LYS A 58 -1.983 6.696 22.858 1.00 0.00 C ATOM 926 CG LYS A 58 -0.921 6.729 21.748 1.00 0.00 C ATOM 927 CD LYS A 58 0.376 7.354 22.285 1.00 0.00 C ATOM 928 CE LYS A 58 1.389 7.518 21.143 1.00 0.00 C ATOM 929 NZ LYS A 58 1.088 8.768 20.387 1.00 0.00 N ATOM 930 OXT LYS A 58 -4.767 6.820 23.942 1.00 0.00 O ATOM 0 H LYS A 58 -3.888 7.684 21.369 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.947 4.955 22.019 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.248 7.712 23.151 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.581 6.203 23.744 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.727 5.719 21.388 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.288 7.305 20.898 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.163 8.323 22.736 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.797 6.723 23.068 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.402 7.558 21.544 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.344 6.657 20.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.774 8.879 19.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.127 8.712 19.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.153 9.585 21.027 1.00 0.00 H new