USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 305 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 Single : A 1 GLY N :NH3+ -129:sc= 0.0603 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.847 K(o=0.85,f=-2.6!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.078) USER MOD Single : A 29 GLN : amide:sc= -1.25 K(o=-1.3,f=-0.1) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -149:sc= -0.0973 (180deg=-0.651) USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= -0.129 (180deg=-0.616) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.720 -1.328 -5.183 1.00 65.22 N ATOM 2 CA GLY A 1 4.508 -0.905 -5.860 1.00 23.32 C ATOM 3 C GLY A 1 3.367 -1.885 -5.672 1.00 23.32 C ATOM 4 O GLY A 1 3.367 -2.677 -4.729 1.00 22.24 O ATOM 0 H1 GLY A 1 6.080 -0.548 -4.597 1.00 65.22 H new ATOM 0 H2 GLY A 1 5.512 -2.148 -4.578 1.00 65.22 H new ATOM 0 H3 GLY A 1 6.438 -1.591 -5.888 1.00 65.22 H new ATOM 0 HA2 GLY A 1 4.208 0.073 -5.484 1.00 23.32 H new ATOM 0 HA3 GLY A 1 4.712 -0.789 -6.925 1.00 23.32 H new ATOM 8 N THR A 2 2.389 -1.833 -6.571 1.00 45.51 N ATOM 9 CA THR A 2 1.236 -2.720 -6.499 1.00 32.04 C ATOM 10 C THR A 2 0.603 -2.912 -7.872 1.00 15.21 C ATOM 11 O THR A 2 0.224 -4.023 -8.241 1.00 72.32 O ATOM 12 CB THR A 2 0.171 -2.179 -5.526 1.00 0.01 C ATOM 13 OG1 THR A 2 0.278 -0.755 -5.426 1.00 13.54 O ATOM 14 CG2 THR A 2 0.330 -2.803 -4.148 1.00 3.24 C ATOM 0 H THR A 2 2.373 -1.185 -7.358 1.00 45.51 H new ATOM 0 HA THR A 2 1.599 -3.680 -6.132 1.00 32.04 H new ATOM 0 HB THR A 2 -0.813 -2.443 -5.915 1.00 0.01 H new ATOM 0 HG1 THR A 2 -0.403 -0.418 -4.807 1.00 13.54 H new ATOM 0 HG21 THR A 2 -0.433 -2.406 -3.478 1.00 3.24 H new ATOM 0 HG22 THR A 2 0.219 -3.885 -4.223 1.00 3.24 H new ATOM 0 HG23 THR A 2 1.318 -2.566 -3.753 1.00 3.24 H new ATOM 22 N TRP A 3 0.491 -1.823 -8.624 1.00 2.21 N ATOM 23 CA TRP A 3 -0.096 -1.872 -9.958 1.00 32.30 C ATOM 24 C TRP A 3 0.823 -2.603 -10.931 1.00 10.33 C ATOM 25 O TRP A 3 0.367 -3.165 -11.927 1.00 1.23 O ATOM 26 CB TRP A 3 -0.377 -0.457 -10.467 1.00 22.42 C ATOM 27 CG TRP A 3 -0.904 -0.424 -11.869 1.00 62.25 C ATOM 28 CD1 TRP A 3 -0.173 -0.487 -13.021 1.00 43.33 C ATOM 29 CD2 TRP A 3 -2.275 -0.319 -12.267 1.00 50.54 C ATOM 30 NE1 TRP A 3 -1.007 -0.426 -14.111 1.00 70.25 N ATOM 31 CE2 TRP A 3 -2.302 -0.324 -13.676 1.00 4.32 C ATOM 32 CE3 TRP A 3 -3.483 -0.222 -11.571 1.00 60.25 C ATOM 33 CZ2 TRP A 3 -3.489 -0.235 -14.398 1.00 2.11 C ATOM 34 CZ3 TRP A 3 -4.660 -0.134 -12.290 1.00 13.14 C ATOM 35 CH2 TRP A 3 -4.657 -0.141 -13.691 1.00 24.52 C ATOM 0 H TRP A 3 0.799 -0.895 -8.333 1.00 2.21 H new ATOM 0 HA TRP A 3 -1.036 -2.420 -9.894 1.00 32.30 H new ATOM 0 HB2 TRP A 3 -1.097 0.023 -9.804 1.00 22.42 H new ATOM 0 HB3 TRP A 3 0.541 0.128 -10.418 1.00 22.42 H new ATOM 0 HD1 TRP A 3 0.903 -0.572 -13.068 1.00 43.33 H new ATOM 0 HE1 TRP A 3 -0.710 -0.452 -15.086 1.00 70.25 H new ATOM 0 HE3 TRP A 3 -3.497 -0.216 -10.491 1.00 60.25 H new ATOM 0 HZ2 TRP A 3 -3.488 -0.240 -15.478 1.00 2.11 H new ATOM 0 HZ3 TRP A 3 -5.599 -0.058 -11.762 1.00 13.14 H new ATOM 0 HH2 TRP A 3 -5.594 -0.071 -14.223 1.00 24.52 H new ATOM 46 N ASP A 4 2.118 -2.591 -10.636 1.00 42.11 N ATOM 47 CA ASP A 4 3.101 -3.254 -11.485 1.00 5.12 C ATOM 48 C ASP A 4 3.182 -4.743 -11.162 1.00 52.24 C ATOM 49 O ASP A 4 3.567 -5.551 -12.007 1.00 64.12 O ATOM 50 CB ASP A 4 4.476 -2.607 -11.311 1.00 3.35 C ATOM 51 CG ASP A 4 4.720 -1.489 -12.305 1.00 43.11 C ATOM 52 OD1 ASP A 4 4.096 -0.418 -12.158 1.00 53.22 O ATOM 53 OD2 ASP A 4 5.535 -1.685 -13.231 1.00 62.41 O ATOM 0 H ASP A 4 2.512 -2.130 -9.816 1.00 42.11 H new ATOM 0 HA ASP A 4 2.784 -3.142 -12.522 1.00 5.12 H new ATOM 0 HB2 ASP A 4 4.564 -2.214 -10.298 1.00 3.35 H new ATOM 0 HB3 ASP A 4 5.249 -3.367 -11.426 1.00 3.35 H new ATOM 58 N ASP A 5 2.816 -5.098 -9.936 1.00 4.45 N ATOM 59 CA ASP A 5 2.847 -6.489 -9.501 1.00 61.30 C ATOM 60 C ASP A 5 1.626 -7.246 -10.014 1.00 15.32 C ATOM 61 O ASP A 5 1.549 -8.470 -9.902 1.00 2.43 O ATOM 62 CB ASP A 5 2.908 -6.568 -7.975 1.00 35.22 C ATOM 63 CG ASP A 5 4.122 -5.861 -7.406 1.00 52.31 C ATOM 64 OD1 ASP A 5 5.244 -6.387 -7.564 1.00 35.23 O ATOM 65 OD2 ASP A 5 3.951 -4.780 -6.804 1.00 73.24 O ATOM 0 H ASP A 5 2.494 -4.441 -9.225 1.00 4.45 H new ATOM 0 HA ASP A 5 3.741 -6.954 -9.916 1.00 61.30 H new ATOM 0 HB2 ASP A 5 2.004 -6.126 -7.555 1.00 35.22 H new ATOM 0 HB3 ASP A 5 2.924 -7.614 -7.669 1.00 35.22 H new ATOM 70 N ILE A 6 0.673 -6.509 -10.575 1.00 73.22 N ATOM 71 CA ILE A 6 -0.545 -7.111 -11.105 1.00 2.22 C ATOM 72 C ILE A 6 -0.222 -8.260 -12.053 1.00 72.43 C ATOM 73 O ILE A 6 -0.883 -9.298 -12.035 1.00 61.02 O ATOM 74 CB ILE A 6 -1.408 -6.074 -11.848 1.00 1.13 C ATOM 75 CG1 ILE A 6 -1.764 -4.913 -10.917 1.00 24.14 C ATOM 76 CG2 ILE A 6 -2.669 -6.728 -12.394 1.00 5.34 C ATOM 77 CD1 ILE A 6 -2.515 -3.795 -11.605 1.00 3.12 C ATOM 0 H ILE A 6 0.720 -5.495 -10.674 1.00 73.22 H new ATOM 0 HA ILE A 6 -1.105 -7.494 -10.252 1.00 2.22 H new ATOM 0 HB ILE A 6 -0.834 -5.680 -12.687 1.00 1.13 H new ATOM 0 HG12 ILE A 6 -2.368 -5.291 -10.092 1.00 24.14 H new ATOM 0 HG13 ILE A 6 -0.848 -4.512 -10.484 1.00 24.14 H new ATOM 0 HG21 ILE A 6 -3.269 -5.983 -12.916 1.00 5.34 H new ATOM 0 HG22 ILE A 6 -2.395 -7.524 -13.087 1.00 5.34 H new ATOM 0 HG23 ILE A 6 -3.248 -7.147 -11.571 1.00 5.34 H new ATOM 0 HD11 ILE A 6 -2.734 -3.007 -10.885 1.00 3.12 H new ATOM 0 HD12 ILE A 6 -1.905 -3.390 -12.412 1.00 3.12 H new ATOM 0 HD13 ILE A 6 -3.448 -4.182 -12.015 1.00 3.12 H new ATOM 89 N GLY A 7 0.800 -8.069 -12.881 1.00 45.51 N ATOM 90 CA GLY A 7 1.195 -9.098 -13.825 1.00 35.45 C ATOM 91 C GLY A 7 2.450 -9.830 -13.393 1.00 70.22 C ATOM 92 O GLY A 7 2.722 -10.936 -13.860 1.00 2.20 O ATOM 0 H GLY A 7 1.362 -7.219 -12.915 1.00 45.51 H new ATOM 0 HA2 GLY A 7 0.381 -9.814 -13.939 1.00 35.45 H new ATOM 0 HA3 GLY A 7 1.360 -8.646 -14.803 1.00 35.45 H new ATOM 96 N GLN A 8 3.217 -9.211 -12.501 1.00 72.33 N ATOM 97 CA GLN A 8 4.452 -9.811 -12.009 1.00 53.24 C ATOM 98 C GLN A 8 4.162 -11.082 -11.219 1.00 22.34 C ATOM 99 O GLN A 8 4.832 -12.100 -11.393 1.00 12.43 O ATOM 100 CB GLN A 8 5.214 -8.814 -11.134 1.00 70.24 C ATOM 101 CG GLN A 8 6.715 -8.817 -11.375 1.00 70.21 C ATOM 102 CD GLN A 8 7.473 -9.607 -10.326 1.00 74.23 C ATOM 103 OE1 GLN A 8 7.066 -10.706 -9.946 1.00 44.24 O ATOM 104 NE2 GLN A 8 8.581 -9.051 -9.852 1.00 1.10 N ATOM 0 H GLN A 8 3.005 -8.295 -12.105 1.00 72.33 H new ATOM 0 HA GLN A 8 5.068 -10.073 -12.869 1.00 53.24 H new ATOM 0 HB2 GLN A 8 4.827 -7.812 -11.318 1.00 70.24 H new ATOM 0 HB3 GLN A 8 5.022 -9.043 -10.086 1.00 70.24 H new ATOM 0 HG2 GLN A 8 6.920 -9.237 -12.360 1.00 70.21 H new ATOM 0 HG3 GLN A 8 7.080 -7.790 -11.385 1.00 70.21 H new ATOM 0 HE21 GLN A 8 8.881 -8.139 -10.195 1.00 1.10 H new ATOM 0 HE22 GLN A 8 9.133 -9.536 -9.144 1.00 1.10 H new ATOM 113 N GLY A 9 3.159 -11.017 -10.348 1.00 5.42 N ATOM 114 CA GLY A 9 2.799 -12.169 -9.543 1.00 25.13 C ATOM 115 C GLY A 9 2.430 -11.791 -8.122 1.00 22.31 C ATOM 116 O GLY A 9 2.826 -12.466 -7.171 1.00 12.23 O ATOM 0 H GLY A 9 2.589 -10.186 -10.186 1.00 5.42 H new ATOM 0 HA2 GLY A 9 1.959 -12.685 -10.008 1.00 25.13 H new ATOM 0 HA3 GLY A 9 3.633 -12.870 -9.524 1.00 25.13 H new ATOM 120 N ILE A 10 1.672 -10.710 -7.977 1.00 73.11 N ATOM 121 CA ILE A 10 1.250 -10.244 -6.662 1.00 1.10 C ATOM 122 C ILE A 10 0.606 -11.370 -5.860 1.00 40.31 C ATOM 123 O ILE A 10 0.718 -11.417 -4.636 1.00 25.11 O ATOM 124 CB ILE A 10 0.256 -9.073 -6.772 1.00 34.11 C ATOM 125 CG1 ILE A 10 0.050 -8.420 -5.404 1.00 11.14 C ATOM 126 CG2 ILE A 10 -1.071 -9.556 -7.339 1.00 21.31 C ATOM 127 CD1 ILE A 10 -0.842 -7.199 -5.445 1.00 3.31 C ATOM 0 H ILE A 10 1.337 -10.140 -8.754 1.00 73.11 H new ATOM 0 HA ILE A 10 2.147 -9.901 -6.146 1.00 1.10 H new ATOM 0 HB ILE A 10 0.670 -8.328 -7.451 1.00 34.11 H new ATOM 0 HG12 ILE A 10 -0.382 -9.153 -4.722 1.00 11.14 H new ATOM 0 HG13 ILE A 10 1.020 -8.137 -4.996 1.00 11.14 H new ATOM 0 HG21 ILE A 10 -1.763 -8.717 -7.411 1.00 21.31 H new ATOM 0 HG22 ILE A 10 -0.910 -9.980 -8.330 1.00 21.31 H new ATOM 0 HG23 ILE A 10 -1.491 -10.318 -6.683 1.00 21.31 H new ATOM 0 HD11 ILE A 10 -0.943 -6.789 -4.440 1.00 3.31 H new ATOM 0 HD12 ILE A 10 -0.401 -6.448 -6.101 1.00 3.31 H new ATOM 0 HD13 ILE A 10 -1.825 -7.479 -5.823 1.00 3.31 H new ATOM 139 N GLY A 11 -0.069 -12.277 -6.560 1.00 43.21 N ATOM 140 CA GLY A 11 -0.720 -13.392 -5.897 1.00 45.32 C ATOM 141 C GLY A 11 -0.781 -14.630 -6.770 1.00 41.50 C ATOM 142 O GLY A 11 -0.032 -15.584 -6.559 1.00 40.42 O ATOM 0 H GLY A 11 -0.177 -12.259 -7.574 1.00 43.21 H new ATOM 0 HA2 GLY A 11 -0.185 -13.626 -4.977 1.00 45.32 H new ATOM 0 HA3 GLY A 11 -1.731 -13.101 -5.613 1.00 45.32 H new ATOM 146 N ARG A 12 -1.676 -14.615 -7.752 1.00 34.51 N ATOM 147 CA ARG A 12 -1.835 -15.747 -8.658 1.00 3.22 C ATOM 148 C ARG A 12 -2.259 -15.276 -10.046 1.00 35.52 C ATOM 149 O ARG A 12 -2.778 -16.056 -10.845 1.00 54.22 O ATOM 150 CB ARG A 12 -2.866 -16.731 -8.103 1.00 73.03 C ATOM 151 CG ARG A 12 -2.251 -17.897 -7.347 1.00 45.02 C ATOM 152 CD ARG A 12 -2.422 -17.739 -5.844 1.00 44.04 C ATOM 153 NE ARG A 12 -3.737 -18.186 -5.393 1.00 65.42 N ATOM 154 CZ ARG A 12 -4.179 -18.031 -4.150 1.00 61.53 C ATOM 155 NH1 ARG A 12 -3.416 -17.443 -3.240 1.00 4.01 N ATOM 156 NH2 ARG A 12 -5.388 -18.465 -3.816 1.00 64.21 N ATOM 0 H ARG A 12 -2.302 -13.832 -7.941 1.00 34.51 H new ATOM 0 HA ARG A 12 -0.872 -16.251 -8.743 1.00 3.22 H new ATOM 0 HB2 ARG A 12 -3.545 -16.196 -7.439 1.00 73.03 H new ATOM 0 HB3 ARG A 12 -3.465 -17.119 -8.927 1.00 73.03 H new ATOM 0 HG2 ARG A 12 -2.716 -18.828 -7.671 1.00 45.02 H new ATOM 0 HG3 ARG A 12 -1.190 -17.969 -7.588 1.00 45.02 H new ATOM 0 HD2 ARG A 12 -1.649 -18.310 -5.329 1.00 44.04 H new ATOM 0 HD3 ARG A 12 -2.281 -16.693 -5.571 1.00 44.04 H new ATOM 0 HE ARG A 12 -4.349 -18.642 -6.069 1.00 65.42 H new ATOM 0 HH11 ARG A 12 -2.486 -17.108 -3.493 1.00 4.01 H new ATOM 0 HH12 ARG A 12 -3.758 -17.325 -2.286 1.00 4.01 H new ATOM 0 HH21 ARG A 12 -5.978 -18.918 -4.514 1.00 64.21 H new ATOM 0 HH22 ARG A 12 -5.727 -18.346 -2.861 1.00 64.21 H new ATOM 170 N VAL A 13 -2.036 -13.996 -10.325 1.00 70.34 N ATOM 171 CA VAL A 13 -2.395 -13.422 -11.617 1.00 2.24 C ATOM 172 C VAL A 13 -1.473 -13.930 -12.719 1.00 42.33 C ATOM 173 O VAL A 13 -1.887 -14.082 -13.868 1.00 34.11 O ATOM 174 CB VAL A 13 -2.336 -11.883 -11.582 1.00 34.01 C ATOM 175 CG1 VAL A 13 -3.004 -11.295 -12.816 1.00 21.31 C ATOM 176 CG2 VAL A 13 -2.985 -11.354 -10.312 1.00 32.13 C ATOM 0 H VAL A 13 -1.609 -13.337 -9.674 1.00 70.34 H new ATOM 0 HA VAL A 13 -3.417 -13.735 -11.830 1.00 2.24 H new ATOM 0 HB VAL A 13 -1.290 -11.577 -11.583 1.00 34.01 H new ATOM 0 HG11 VAL A 13 -2.953 -10.207 -12.774 1.00 21.31 H new ATOM 0 HG12 VAL A 13 -2.491 -11.648 -13.711 1.00 21.31 H new ATOM 0 HG13 VAL A 13 -4.048 -11.608 -12.849 1.00 21.31 H new ATOM 0 HG21 VAL A 13 -2.934 -10.265 -10.304 1.00 32.13 H new ATOM 0 HG22 VAL A 13 -4.028 -11.669 -10.278 1.00 32.13 H new ATOM 0 HG23 VAL A 13 -2.458 -11.748 -9.443 1.00 32.13 H new ATOM 186 N ALA A 14 -0.220 -14.191 -12.362 1.00 3.32 N ATOM 187 CA ALA A 14 0.761 -14.684 -13.320 1.00 62.34 C ATOM 188 C ALA A 14 0.375 -16.065 -13.840 1.00 15.10 C ATOM 189 O ALA A 14 0.257 -16.274 -15.048 1.00 13.34 O ATOM 190 CB ALA A 14 2.144 -14.725 -12.687 1.00 40.21 C ATOM 0 H ALA A 14 0.140 -14.069 -11.415 1.00 3.32 H new ATOM 0 HA ALA A 14 0.781 -13.998 -14.167 1.00 62.34 H new ATOM 0 HB1 ALA A 14 2.866 -15.095 -13.415 1.00 40.21 H new ATOM 0 HB2 ALA A 14 2.429 -13.722 -12.371 1.00 40.21 H new ATOM 0 HB3 ALA A 14 2.129 -15.387 -11.822 1.00 40.21 H new ATOM 196 N TYR A 15 0.179 -17.004 -12.921 1.00 62.12 N ATOM 197 CA TYR A 15 -0.191 -18.366 -13.287 1.00 71.02 C ATOM 198 C TYR A 15 -1.572 -18.400 -13.935 1.00 42.34 C ATOM 199 O TYR A 15 -1.880 -19.299 -14.718 1.00 15.52 O ATOM 200 CB TYR A 15 -0.172 -19.271 -12.054 1.00 52.11 C ATOM 201 CG TYR A 15 0.446 -20.627 -12.308 1.00 34.41 C ATOM 202 CD1 TYR A 15 -0.308 -21.668 -12.835 1.00 71.45 C ATOM 203 CD2 TYR A 15 1.784 -20.868 -12.021 1.00 12.52 C ATOM 204 CE1 TYR A 15 0.252 -22.909 -13.068 1.00 62.41 C ATOM 205 CE2 TYR A 15 2.353 -22.105 -12.252 1.00 31.04 C ATOM 206 CZ TYR A 15 1.583 -23.123 -12.775 1.00 11.22 C ATOM 207 OH TYR A 15 2.145 -24.357 -13.006 1.00 62.25 O ATOM 0 H TYR A 15 0.270 -16.847 -11.917 1.00 62.12 H new ATOM 0 HA TYR A 15 0.539 -18.732 -14.009 1.00 71.02 H new ATOM 0 HB2 TYR A 15 0.380 -18.773 -11.257 1.00 52.11 H new ATOM 0 HB3 TYR A 15 -1.193 -19.407 -11.698 1.00 52.11 H new ATOM 0 HD1 TYR A 15 -1.350 -21.504 -13.067 1.00 71.45 H new ATOM 0 HD2 TYR A 15 2.390 -20.074 -11.610 1.00 12.52 H new ATOM 0 HE1 TYR A 15 -0.349 -23.708 -13.477 1.00 62.41 H new ATOM 0 HE2 TYR A 15 3.395 -22.274 -12.024 1.00 31.04 H new ATOM 0 HH TYR A 15 3.090 -24.340 -12.747 1.00 62.25 H new ATOM 217 N TRP A 16 -2.397 -17.414 -13.604 1.00 54.43 N ATOM 218 CA TRP A 16 -3.746 -17.329 -14.154 1.00 43.21 C ATOM 219 C TRP A 16 -3.718 -16.798 -15.583 1.00 74.43 C ATOM 220 O TRP A 16 -4.182 -17.462 -16.511 1.00 1.20 O ATOM 221 CB TRP A 16 -4.620 -16.428 -13.279 1.00 65.34 C ATOM 222 CG TRP A 16 -6.081 -16.529 -13.597 1.00 21.33 C ATOM 223 CD1 TRP A 16 -6.675 -16.300 -14.805 1.00 20.32 C ATOM 224 CD2 TRP A 16 -7.132 -16.884 -12.691 1.00 42.33 C ATOM 225 NE1 TRP A 16 -8.032 -16.491 -14.705 1.00 51.20 N ATOM 226 CE2 TRP A 16 -8.338 -16.850 -13.419 1.00 25.10 C ATOM 227 CE3 TRP A 16 -7.172 -17.228 -11.338 1.00 23.04 C ATOM 228 CZ2 TRP A 16 -9.567 -17.147 -12.836 1.00 42.32 C ATOM 229 CZ3 TRP A 16 -8.393 -17.522 -10.761 1.00 5.24 C ATOM 230 CH2 TRP A 16 -9.576 -17.480 -11.509 1.00 73.52 C ATOM 0 H TRP A 16 -2.157 -16.662 -12.958 1.00 54.43 H new ATOM 0 HA TRP A 16 -4.170 -18.333 -14.167 1.00 43.21 H new ATOM 0 HB2 TRP A 16 -4.464 -16.689 -12.232 1.00 65.34 H new ATOM 0 HB3 TRP A 16 -4.299 -15.393 -13.401 1.00 65.34 H new ATOM 0 HD1 TRP A 16 -6.155 -16.011 -15.706 1.00 20.32 H new ATOM 0 HE1 TRP A 16 -8.703 -16.383 -15.466 1.00 51.20 H new ATOM 0 HE3 TRP A 16 -6.265 -17.264 -10.753 1.00 23.04 H new ATOM 0 HZ2 TRP A 16 -10.481 -17.116 -13.411 1.00 42.32 H new ATOM 0 HZ3 TRP A 16 -8.435 -17.789 -9.715 1.00 5.24 H new ATOM 0 HH2 TRP A 16 -10.514 -17.715 -11.029 1.00 73.52 H new ATOM 241 N VAL A 17 -3.172 -15.599 -15.755 1.00 12.45 N ATOM 242 CA VAL A 17 -3.083 -14.980 -17.072 1.00 35.02 C ATOM 243 C VAL A 17 -2.370 -15.894 -18.061 1.00 73.45 C ATOM 244 O VAL A 17 -2.844 -16.110 -19.176 1.00 72.11 O ATOM 245 CB VAL A 17 -2.342 -13.631 -17.010 1.00 31.43 C ATOM 246 CG1 VAL A 17 -2.188 -13.042 -18.403 1.00 41.14 C ATOM 247 CG2 VAL A 17 -3.073 -12.664 -16.091 1.00 24.14 C ATOM 0 H VAL A 17 -2.784 -15.036 -14.998 1.00 12.45 H new ATOM 0 HA VAL A 17 -4.105 -14.809 -17.411 1.00 35.02 H new ATOM 0 HB VAL A 17 -1.346 -13.802 -16.602 1.00 31.43 H new ATOM 0 HG11 VAL A 17 -1.662 -12.089 -18.339 1.00 41.14 H new ATOM 0 HG12 VAL A 17 -1.618 -13.730 -19.028 1.00 41.14 H new ATOM 0 HG13 VAL A 17 -3.173 -12.884 -18.842 1.00 41.14 H new ATOM 0 HG21 VAL A 17 -2.536 -11.716 -16.059 1.00 24.14 H new ATOM 0 HG22 VAL A 17 -4.082 -12.497 -16.468 1.00 24.14 H new ATOM 0 HG23 VAL A 17 -3.126 -13.085 -15.087 1.00 24.14 H new ATOM 257 N GLY A 18 -1.227 -16.431 -17.645 1.00 41.25 N ATOM 258 CA GLY A 18 -0.466 -17.317 -18.507 1.00 53.32 C ATOM 259 C GLY A 18 -1.230 -18.577 -18.862 1.00 22.45 C ATOM 260 O GLY A 18 -1.059 -19.131 -19.948 1.00 34.32 O ATOM 0 H GLY A 18 -0.814 -16.268 -16.726 1.00 41.25 H new ATOM 0 HA2 GLY A 18 -0.199 -16.788 -19.422 1.00 53.32 H new ATOM 0 HA3 GLY A 18 0.466 -17.588 -18.012 1.00 53.32 H new ATOM 264 N LYS A 19 -2.073 -19.034 -17.942 1.00 75.23 N ATOM 265 CA LYS A 19 -2.866 -20.238 -18.162 1.00 33.04 C ATOM 266 C LYS A 19 -4.041 -19.954 -19.092 1.00 14.34 C ATOM 267 O LYS A 19 -4.389 -20.777 -19.938 1.00 22.14 O ATOM 268 CB LYS A 19 -3.379 -20.786 -16.828 1.00 22.02 C ATOM 269 CG LYS A 19 -2.419 -21.756 -16.160 1.00 15.33 C ATOM 270 CD LYS A 19 -2.500 -23.139 -16.784 1.00 1.22 C ATOM 271 CE LYS A 19 -1.779 -24.176 -15.936 1.00 15.32 C ATOM 272 NZ LYS A 19 -1.945 -25.551 -16.482 1.00 64.14 N ATOM 0 H LYS A 19 -2.225 -18.589 -17.037 1.00 75.23 H new ATOM 0 HA LYS A 19 -2.225 -20.984 -18.633 1.00 33.04 H new ATOM 0 HB2 LYS A 19 -3.570 -19.953 -16.152 1.00 22.02 H new ATOM 0 HB3 LYS A 19 -4.333 -21.287 -16.993 1.00 22.02 H new ATOM 0 HG2 LYS A 19 -1.400 -21.377 -16.244 1.00 15.33 H new ATOM 0 HG3 LYS A 19 -2.648 -21.822 -15.096 1.00 15.33 H new ATOM 0 HD2 LYS A 19 -3.545 -23.426 -16.901 1.00 1.22 H new ATOM 0 HD3 LYS A 19 -2.062 -23.115 -17.782 1.00 1.22 H new ATOM 0 HE2 LYS A 19 -0.718 -23.931 -15.886 1.00 15.32 H new ATOM 0 HE3 LYS A 19 -2.162 -24.141 -14.916 1.00 15.32 H new ATOM 0 HZ1 LYS A 19 -1.439 -26.228 -15.876 1.00 64.14 H new ATOM 0 HZ2 LYS A 19 -2.956 -25.795 -16.506 1.00 64.14 H new ATOM 0 HZ3 LYS A 19 -1.556 -25.591 -17.446 1.00 64.14 H new ATOM 286 N ALA A 20 -4.648 -18.783 -18.930 1.00 14.53 N ATOM 287 CA ALA A 20 -5.782 -18.389 -19.757 1.00 42.32 C ATOM 288 C ALA A 20 -5.336 -18.057 -21.177 1.00 42.41 C ATOM 289 O ALA A 20 -5.811 -18.654 -22.144 1.00 11.21 O ATOM 290 CB ALA A 20 -6.501 -17.200 -19.136 1.00 60.33 C ATOM 0 H ALA A 20 -4.373 -18.090 -18.233 1.00 14.53 H new ATOM 0 HA ALA A 20 -6.473 -19.231 -19.808 1.00 42.32 H new ATOM 0 HB1 ALA A 20 -7.345 -16.917 -19.764 1.00 60.33 H new ATOM 0 HB2 ALA A 20 -6.862 -17.471 -18.144 1.00 60.33 H new ATOM 0 HB3 ALA A 20 -5.811 -16.360 -19.055 1.00 60.33 H new ATOM 296 N LEU A 21 -4.421 -17.101 -21.296 1.00 51.44 N ATOM 297 CA LEU A 21 -3.911 -16.688 -22.599 1.00 61.24 C ATOM 298 C LEU A 21 -3.072 -17.795 -23.231 1.00 1.43 C ATOM 299 O LEU A 21 -2.953 -17.877 -24.452 1.00 44.04 O ATOM 300 CB LEU A 21 -3.075 -15.414 -22.462 1.00 34.30 C ATOM 301 CG LEU A 21 -1.635 -15.604 -21.986 1.00 21.43 C ATOM 302 CD1 LEU A 21 -0.701 -15.794 -23.171 1.00 74.42 C ATOM 303 CD2 LEU A 21 -1.192 -14.419 -21.140 1.00 62.32 C ATOM 0 H LEU A 21 -4.017 -16.597 -20.506 1.00 51.44 H new ATOM 0 HA LEU A 21 -4.763 -16.487 -23.248 1.00 61.24 H new ATOM 0 HB2 LEU A 21 -3.053 -14.912 -23.429 1.00 34.30 H new ATOM 0 HB3 LEU A 21 -3.581 -14.744 -21.766 1.00 34.30 H new ATOM 0 HG LEU A 21 -1.592 -16.502 -21.369 1.00 21.43 H new ATOM 0 HD11 LEU A 21 0.320 -15.928 -22.812 1.00 74.42 H new ATOM 0 HD12 LEU A 21 -1.005 -16.675 -23.736 1.00 74.42 H new ATOM 0 HD13 LEU A 21 -0.747 -14.916 -23.815 1.00 74.42 H new ATOM 0 HD21 LEU A 21 -0.164 -14.572 -20.810 1.00 62.32 H new ATOM 0 HD22 LEU A 21 -1.251 -13.506 -21.733 1.00 62.32 H new ATOM 0 HD23 LEU A 21 -1.843 -14.329 -20.270 1.00 62.32 H new ATOM 315 N GLY A 22 -2.493 -18.646 -22.388 1.00 53.55 N ATOM 316 CA GLY A 22 -1.675 -19.737 -22.883 1.00 24.14 C ATOM 317 C GLY A 22 -2.415 -21.060 -22.890 1.00 2.14 C ATOM 318 O GLY A 22 -1.798 -22.123 -22.932 1.00 31.52 O ATOM 0 H GLY A 22 -2.576 -18.599 -21.373 1.00 53.55 H new ATOM 0 HA2 GLY A 22 -1.340 -19.506 -23.894 1.00 24.14 H new ATOM 0 HA3 GLY A 22 -0.782 -19.827 -22.264 1.00 24.14 H new ATOM 322 N ASN A 23 -3.742 -20.994 -22.846 1.00 65.03 N ATOM 323 CA ASN A 23 -4.567 -22.196 -22.846 1.00 22.55 C ATOM 324 C ASN A 23 -4.567 -22.857 -24.221 1.00 30.02 C ATOM 325 O ASN A 23 -3.834 -22.443 -25.121 1.00 34.55 O ATOM 326 CB ASN A 23 -6.000 -21.856 -22.430 1.00 63.55 C ATOM 327 CG ASN A 23 -6.621 -22.934 -21.563 1.00 13.33 C ATOM 328 OD1 ASN A 23 -7.239 -23.872 -22.066 1.00 64.40 O ATOM 329 ND2 ASN A 23 -6.461 -22.802 -20.251 1.00 61.30 N ATOM 0 H ASN A 23 -4.268 -20.121 -22.810 1.00 65.03 H new ATOM 0 HA ASN A 23 -4.144 -22.897 -22.127 1.00 22.55 H new ATOM 0 HB2 ASN A 23 -6.003 -20.910 -21.888 1.00 63.55 H new ATOM 0 HB3 ASN A 23 -6.610 -21.714 -23.322 1.00 63.55 H new ATOM 0 HD21 ASN A 23 -6.858 -23.495 -19.617 1.00 61.30 H new ATOM 0 HD22 ASN A 23 -5.941 -22.008 -19.878 1.00 61.30 H new ATOM 336 N LEU A 24 -5.394 -23.885 -24.377 1.00 23.11 N ATOM 337 CA LEU A 24 -5.491 -24.604 -25.643 1.00 4.51 C ATOM 338 C LEU A 24 -5.886 -23.661 -26.775 1.00 43.21 C ATOM 339 O LEU A 24 -6.385 -22.561 -26.535 1.00 64.42 O ATOM 340 CB LEU A 24 -6.509 -25.739 -25.531 1.00 31.23 C ATOM 341 CG LEU A 24 -5.984 -27.144 -25.828 1.00 64.03 C ATOM 342 CD1 LEU A 24 -6.662 -28.169 -24.932 1.00 43.40 C ATOM 343 CD2 LEU A 24 -6.194 -27.493 -27.294 1.00 52.25 C ATOM 0 H LEU A 24 -6.007 -24.239 -23.643 1.00 23.11 H new ATOM 0 HA LEU A 24 -4.511 -25.025 -25.870 1.00 4.51 H new ATOM 0 HB2 LEU A 24 -6.921 -25.733 -24.522 1.00 31.23 H new ATOM 0 HB3 LEU A 24 -7.333 -25.529 -26.213 1.00 31.23 H new ATOM 0 HG LEU A 24 -4.914 -27.162 -25.620 1.00 64.03 H new ATOM 0 HD11 LEU A 24 -6.275 -29.163 -25.158 1.00 43.40 H new ATOM 0 HD12 LEU A 24 -6.460 -27.930 -23.888 1.00 43.40 H new ATOM 0 HD13 LEU A 24 -7.738 -28.150 -25.107 1.00 43.40 H new ATOM 0 HD21 LEU A 24 -5.814 -28.496 -27.487 1.00 52.25 H new ATOM 0 HD22 LEU A 24 -7.258 -27.456 -27.528 1.00 52.25 H new ATOM 0 HD23 LEU A 24 -5.660 -26.777 -27.919 1.00 52.25 H new ATOM 355 N SER A 25 -5.661 -24.100 -28.009 1.00 41.24 N ATOM 356 CA SER A 25 -5.992 -23.295 -29.179 1.00 40.42 C ATOM 357 C SER A 25 -4.983 -22.165 -29.365 1.00 21.43 C ATOM 358 O SER A 25 -4.245 -22.133 -30.350 1.00 11.12 O ATOM 359 CB SER A 25 -7.402 -22.717 -29.044 1.00 50.44 C ATOM 360 OG SER A 25 -8.018 -22.574 -30.312 1.00 73.45 O ATOM 0 H SER A 25 -5.251 -25.009 -28.225 1.00 41.24 H new ATOM 0 HA SER A 25 -5.954 -23.941 -30.056 1.00 40.42 H new ATOM 0 HB2 SER A 25 -8.007 -23.369 -28.414 1.00 50.44 H new ATOM 0 HB3 SER A 25 -7.355 -21.748 -28.548 1.00 50.44 H new ATOM 0 HG SER A 25 -8.919 -22.204 -30.198 1.00 73.45 H new ATOM 366 N ASP A 26 -4.957 -21.241 -28.411 1.00 21.33 N ATOM 367 CA ASP A 26 -4.038 -20.110 -28.467 1.00 33.12 C ATOM 368 C ASP A 26 -2.605 -20.584 -28.685 1.00 60.35 C ATOM 369 O ASP A 26 -1.863 -20.007 -29.481 1.00 35.21 O ATOM 370 CB ASP A 26 -4.126 -19.290 -27.179 1.00 14.21 C ATOM 371 CG ASP A 26 -5.559 -19.025 -26.758 1.00 44.22 C ATOM 372 OD1 ASP A 26 -6.428 -18.920 -27.648 1.00 32.20 O ATOM 373 OD2 ASP A 26 -5.810 -18.921 -25.539 1.00 23.10 O ATOM 0 H ASP A 26 -5.562 -21.253 -27.590 1.00 21.33 H new ATOM 0 HA ASP A 26 -4.326 -19.481 -29.310 1.00 33.12 H new ATOM 0 HB2 ASP A 26 -3.607 -19.818 -26.379 1.00 14.21 H new ATOM 0 HB3 ASP A 26 -3.610 -18.340 -27.320 1.00 14.21 H new ATOM 378 N VAL A 27 -2.221 -21.639 -27.973 1.00 43.12 N ATOM 379 CA VAL A 27 -0.876 -22.191 -28.089 1.00 53.01 C ATOM 380 C VAL A 27 -0.647 -22.793 -29.471 1.00 4.22 C ATOM 381 O VAL A 27 0.467 -22.768 -29.992 1.00 43.03 O ATOM 382 CB VAL A 27 -0.619 -23.271 -27.022 1.00 32.15 C ATOM 383 CG1 VAL A 27 0.819 -23.760 -27.093 1.00 23.55 C ATOM 384 CG2 VAL A 27 -0.941 -22.736 -25.634 1.00 51.14 C ATOM 0 H VAL A 27 -2.822 -22.128 -27.310 1.00 43.12 H new ATOM 0 HA VAL A 27 -0.180 -21.366 -27.935 1.00 53.01 H new ATOM 0 HB VAL A 27 -1.276 -24.118 -27.222 1.00 32.15 H new ATOM 0 HG11 VAL A 27 0.982 -24.523 -26.332 1.00 23.55 H new ATOM 0 HG12 VAL A 27 1.011 -24.184 -28.079 1.00 23.55 H new ATOM 0 HG13 VAL A 27 1.497 -22.924 -26.920 1.00 23.55 H new ATOM 0 HG21 VAL A 27 -0.754 -23.512 -24.892 1.00 51.14 H new ATOM 0 HG22 VAL A 27 -0.311 -21.872 -25.422 1.00 51.14 H new ATOM 0 HG23 VAL A 27 -1.989 -22.440 -25.592 1.00 51.14 H new ATOM 394 N ASN A 28 -1.709 -23.333 -30.059 1.00 30.10 N ATOM 395 CA ASN A 28 -1.623 -23.942 -31.381 1.00 54.04 C ATOM 396 C ASN A 28 -1.128 -22.934 -32.414 1.00 2.44 C ATOM 397 O ASN A 28 -0.225 -23.226 -33.197 1.00 74.43 O ATOM 398 CB ASN A 28 -2.988 -24.491 -31.802 1.00 53.44 C ATOM 399 CG ASN A 28 -2.972 -25.995 -31.996 1.00 11.41 C ATOM 400 OD1 ASN A 28 -3.881 -26.698 -31.555 1.00 72.11 O ATOM 401 ND2 ASN A 28 -1.935 -26.495 -32.658 1.00 11.23 N ATOM 0 H ASN A 28 -2.639 -23.361 -29.641 1.00 30.10 H new ATOM 0 HA ASN A 28 -0.908 -24.763 -31.329 1.00 54.04 H new ATOM 0 HB2 ASN A 28 -3.729 -24.233 -31.046 1.00 53.44 H new ATOM 0 HB3 ASN A 28 -3.299 -24.011 -32.730 1.00 53.44 H new ATOM 0 HD21 ASN A 28 -1.869 -27.500 -32.819 1.00 11.23 H new ATOM 0 HD22 ASN A 28 -1.204 -25.874 -33.006 1.00 11.23 H new ATOM 408 N GLN A 29 -1.724 -21.746 -32.406 1.00 54.13 N ATOM 409 CA GLN A 29 -1.343 -20.695 -33.342 1.00 13.50 C ATOM 410 C GLN A 29 0.053 -20.167 -33.029 1.00 61.20 C ATOM 411 O GLN A 29 0.886 -20.019 -33.923 1.00 31.22 O ATOM 412 CB GLN A 29 -2.356 -19.549 -33.295 1.00 72.20 C ATOM 413 CG GLN A 29 -3.470 -19.680 -34.321 1.00 52.11 C ATOM 414 CD GLN A 29 -4.222 -20.991 -34.202 1.00 52.24 C ATOM 415 OE1 GLN A 29 -4.513 -21.646 -35.204 1.00 1.13 O ATOM 416 NE2 GLN A 29 -4.542 -21.381 -32.974 1.00 63.20 N ATOM 0 H GLN A 29 -2.472 -21.487 -31.762 1.00 54.13 H new ATOM 0 HA GLN A 29 -1.334 -21.122 -34.345 1.00 13.50 H new ATOM 0 HB2 GLN A 29 -2.795 -19.504 -32.298 1.00 72.20 H new ATOM 0 HB3 GLN A 29 -1.833 -18.606 -33.457 1.00 72.20 H new ATOM 0 HG2 GLN A 29 -4.169 -18.852 -34.200 1.00 52.11 H new ATOM 0 HG3 GLN A 29 -3.048 -19.597 -35.323 1.00 52.11 H new ATOM 0 HE21 GLN A 29 -4.281 -20.807 -32.172 1.00 63.20 H new ATOM 0 HE22 GLN A 29 -5.049 -22.255 -32.832 1.00 63.20 H new ATOM 425 N ALA A 30 0.302 -19.885 -31.754 1.00 72.04 N ATOM 426 CA ALA A 30 1.598 -19.376 -31.324 1.00 12.35 C ATOM 427 C ALA A 30 2.703 -20.392 -31.590 1.00 1.20 C ATOM 428 O ALA A 30 3.876 -20.033 -31.700 1.00 34.41 O ATOM 429 CB ALA A 30 1.557 -19.012 -29.847 1.00 4.03 C ATOM 0 H ALA A 30 -0.377 -20.001 -31.001 1.00 72.04 H new ATOM 0 HA ALA A 30 1.819 -18.479 -31.903 1.00 12.35 H new ATOM 0 HB1 ALA A 30 2.531 -18.633 -29.538 1.00 4.03 H new ATOM 0 HB2 ALA A 30 0.801 -18.245 -29.682 1.00 4.03 H new ATOM 0 HB3 ALA A 30 1.310 -19.897 -29.261 1.00 4.03 H new ATOM 435 N SER A 31 2.322 -21.661 -31.692 1.00 72.11 N ATOM 436 CA SER A 31 3.282 -22.730 -31.941 1.00 51.02 C ATOM 437 C SER A 31 3.787 -22.682 -33.380 1.00 2.10 C ATOM 438 O SER A 31 4.915 -23.084 -33.667 1.00 51.31 O ATOM 439 CB SER A 31 2.646 -24.092 -31.657 1.00 74.04 C ATOM 440 OG SER A 31 3.139 -25.080 -32.546 1.00 34.25 O ATOM 0 H SER A 31 1.355 -21.974 -31.606 1.00 72.11 H new ATOM 0 HA SER A 31 4.130 -22.586 -31.271 1.00 51.02 H new ATOM 0 HB2 SER A 31 2.854 -24.387 -30.629 1.00 74.04 H new ATOM 0 HB3 SER A 31 1.563 -24.019 -31.754 1.00 74.04 H new ATOM 0 HG SER A 31 2.719 -25.942 -32.343 1.00 34.25 H new ATOM 446 N ARG A 32 2.944 -22.187 -34.280 1.00 70.54 N ATOM 447 CA ARG A 32 3.303 -22.088 -35.690 1.00 4.52 C ATOM 448 C ARG A 32 4.198 -20.877 -35.938 1.00 50.41 C ATOM 449 O ARG A 32 5.150 -20.945 -36.716 1.00 24.44 O ATOM 450 CB ARG A 32 2.044 -21.991 -36.553 1.00 44.44 C ATOM 451 CG ARG A 32 2.328 -21.657 -38.009 1.00 5.12 C ATOM 452 CD ARG A 32 1.885 -20.243 -38.353 1.00 25.50 C ATOM 453 NE ARG A 32 0.466 -20.034 -38.083 1.00 13.24 N ATOM 454 CZ ARG A 32 -0.505 -20.437 -38.895 1.00 44.24 C ATOM 455 NH1 ARG A 32 -0.210 -21.068 -40.023 1.00 45.15 N ATOM 456 NH2 ARG A 32 -1.773 -20.209 -38.580 1.00 72.21 N ATOM 0 H ARG A 32 2.008 -21.848 -34.058 1.00 70.54 H new ATOM 0 HA ARG A 32 3.854 -22.988 -35.964 1.00 4.52 H new ATOM 0 HB2 ARG A 32 1.507 -22.938 -36.504 1.00 44.44 H new ATOM 0 HB3 ARG A 32 1.386 -21.229 -36.136 1.00 44.44 H new ATOM 0 HG2 ARG A 32 3.395 -21.763 -38.206 1.00 5.12 H new ATOM 0 HG3 ARG A 32 1.812 -22.368 -38.654 1.00 5.12 H new ATOM 0 HD2 ARG A 32 2.473 -19.529 -37.777 1.00 25.50 H new ATOM 0 HD3 ARG A 32 2.087 -20.046 -39.406 1.00 25.50 H new ATOM 0 HE ARG A 32 0.205 -19.552 -37.223 1.00 13.24 H new ATOM 0 HH11 ARG A 32 0.764 -21.245 -40.269 1.00 45.15 H new ATOM 0 HH12 ARG A 32 -0.957 -21.377 -40.645 1.00 45.15 H new ATOM 0 HH21 ARG A 32 -2.004 -19.724 -37.713 1.00 72.21 H new ATOM 0 HH22 ARG A 32 -2.517 -20.519 -39.205 1.00 72.21 H new ATOM 470 N ILE A 33 3.884 -19.770 -35.273 1.00 45.34 N ATOM 471 CA ILE A 33 4.660 -18.545 -35.422 1.00 1.52 C ATOM 472 C ILE A 33 6.050 -18.696 -34.813 1.00 32.53 C ATOM 473 O ILE A 33 6.994 -18.020 -35.218 1.00 54.42 O ATOM 474 CB ILE A 33 3.951 -17.346 -34.763 1.00 64.31 C ATOM 475 CG1 ILE A 33 2.556 -17.160 -35.361 1.00 54.54 C ATOM 476 CG2 ILE A 33 4.780 -16.082 -34.933 1.00 41.23 C ATOM 477 CD1 ILE A 33 1.666 -16.246 -34.547 1.00 22.41 C ATOM 0 H ILE A 33 3.098 -19.696 -34.627 1.00 45.34 H new ATOM 0 HA ILE A 33 4.753 -18.359 -36.492 1.00 1.52 H new ATOM 0 HB ILE A 33 3.845 -17.546 -33.697 1.00 64.31 H new ATOM 0 HG12 ILE A 33 2.653 -16.756 -36.369 1.00 54.54 H new ATOM 0 HG13 ILE A 33 2.076 -18.134 -35.452 1.00 54.54 H new ATOM 0 HG21 ILE A 33 4.266 -15.244 -34.462 1.00 41.23 H new ATOM 0 HG22 ILE A 33 5.754 -16.220 -34.464 1.00 41.23 H new ATOM 0 HG23 ILE A 33 4.915 -15.875 -35.995 1.00 41.23 H new ATOM 0 HD11 ILE A 33 0.693 -16.160 -35.031 1.00 22.41 H new ATOM 0 HD12 ILE A 33 1.539 -16.659 -33.546 1.00 22.41 H new ATOM 0 HD13 ILE A 33 2.124 -15.260 -34.477 1.00 22.41 H new ATOM 489 N ASN A 34 6.168 -19.591 -33.837 1.00 73.52 N ATOM 490 CA ASN A 34 7.443 -19.834 -33.172 1.00 51.14 C ATOM 491 C ASN A 34 8.461 -20.420 -34.146 1.00 31.53 C ATOM 492 O ASN A 34 9.549 -19.873 -34.327 1.00 32.24 O ATOM 493 CB ASN A 34 7.251 -20.780 -31.986 1.00 23.34 C ATOM 494 CG ASN A 34 7.620 -20.133 -30.665 1.00 32.04 C ATOM 495 OD1 ASN A 34 8.669 -20.423 -30.090 1.00 21.22 O ATOM 496 ND2 ASN A 34 6.756 -19.251 -30.177 1.00 15.32 N ATOM 0 H ASN A 34 5.396 -20.160 -33.489 1.00 73.52 H new ATOM 0 HA ASN A 34 7.823 -18.879 -32.808 1.00 51.14 H new ATOM 0 HB2 ASN A 34 6.212 -21.107 -31.950 1.00 23.34 H new ATOM 0 HB3 ASN A 34 7.860 -21.672 -32.134 1.00 23.34 H new ATOM 0 HD21 ASN A 34 6.950 -18.783 -29.291 1.00 15.32 H new ATOM 0 HD22 ASN A 34 5.898 -19.041 -30.688 1.00 15.32 H new ATOM 503 N ARG A 35 8.100 -21.537 -34.770 1.00 55.40 N ATOM 504 CA ARG A 35 8.981 -22.198 -35.724 1.00 41.14 C ATOM 505 C ARG A 35 9.292 -21.280 -36.903 1.00 65.32 C ATOM 506 O ARG A 35 10.333 -21.411 -37.548 1.00 4.44 O ATOM 507 CB ARG A 35 8.343 -23.494 -36.228 1.00 14.31 C ATOM 508 CG ARG A 35 6.909 -23.322 -36.702 1.00 34.14 C ATOM 509 CD ARG A 35 6.379 -24.593 -37.346 1.00 71.42 C ATOM 510 NE ARG A 35 6.992 -24.844 -38.648 1.00 2.42 N ATOM 511 CZ ARG A 35 6.647 -24.202 -39.758 1.00 52.05 C ATOM 512 NH1 ARG A 35 5.698 -23.276 -39.726 1.00 21.45 N ATOM 513 NH2 ARG A 35 7.251 -24.485 -40.905 1.00 63.52 N ATOM 0 H ARG A 35 7.203 -22.003 -34.631 1.00 55.40 H new ATOM 0 HA ARG A 35 9.914 -22.435 -35.214 1.00 41.14 H new ATOM 0 HB2 ARG A 35 8.943 -23.890 -37.048 1.00 14.31 H new ATOM 0 HB3 ARG A 35 8.366 -24.235 -35.429 1.00 14.31 H new ATOM 0 HG2 ARG A 35 6.276 -23.049 -35.858 1.00 34.14 H new ATOM 0 HG3 ARG A 35 6.857 -22.501 -37.417 1.00 34.14 H new ATOM 0 HD2 ARG A 35 6.569 -25.440 -36.687 1.00 71.42 H new ATOM 0 HD3 ARG A 35 5.298 -24.516 -37.463 1.00 71.42 H new ATOM 0 HE ARG A 35 7.725 -25.551 -38.708 1.00 2.42 H new ATOM 0 HH11 ARG A 35 5.231 -23.055 -38.847 1.00 21.45 H new ATOM 0 HH12 ARG A 35 5.436 -22.785 -40.581 1.00 21.45 H new ATOM 0 HH21 ARG A 35 7.981 -25.196 -40.935 1.00 63.52 H new ATOM 0 HH22 ARG A 35 6.985 -23.991 -41.757 1.00 63.52 H new ATOM 527 N LYS A 36 8.383 -20.352 -37.180 1.00 72.31 N ATOM 528 CA LYS A 36 8.559 -19.412 -38.280 1.00 40.33 C ATOM 529 C LYS A 36 9.679 -18.422 -37.976 1.00 14.44 C ATOM 530 O LYS A 36 10.505 -18.118 -38.837 1.00 33.14 O ATOM 531 CB LYS A 36 7.255 -18.657 -38.547 1.00 12.11 C ATOM 532 CG LYS A 36 6.844 -18.650 -40.009 1.00 42.33 C ATOM 533 CD LYS A 36 7.424 -17.454 -40.745 1.00 44.25 C ATOM 534 CE LYS A 36 6.330 -16.583 -41.344 1.00 21.12 C ATOM 535 NZ LYS A 36 5.431 -17.361 -42.241 1.00 41.40 N ATOM 0 H LYS A 36 7.516 -20.231 -36.657 1.00 72.31 H new ATOM 0 HA LYS A 36 8.831 -19.980 -39.170 1.00 40.33 H new ATOM 0 HB2 LYS A 36 6.457 -19.107 -37.956 1.00 12.11 H new ATOM 0 HB3 LYS A 36 7.364 -17.628 -38.204 1.00 12.11 H new ATOM 0 HG2 LYS A 36 7.180 -19.570 -40.487 1.00 42.33 H new ATOM 0 HG3 LYS A 36 5.757 -18.631 -40.082 1.00 42.33 H new ATOM 0 HD2 LYS A 36 8.028 -16.861 -40.058 1.00 44.25 H new ATOM 0 HD3 LYS A 36 8.089 -17.800 -41.536 1.00 44.25 H new ATOM 0 HE2 LYS A 36 5.743 -16.134 -40.542 1.00 21.12 H new ATOM 0 HE3 LYS A 36 6.783 -15.765 -41.904 1.00 21.12 H new ATOM 0 HZ1 LYS A 36 5.073 -16.742 -42.996 1.00 41.40 H new ATOM 0 HZ2 LYS A 36 5.960 -18.151 -42.663 1.00 41.40 H new ATOM 0 HZ3 LYS A 36 4.631 -17.735 -41.692 1.00 41.40 H new ATOM 549 N LYS A 37 9.701 -17.922 -36.745 1.00 4.33 N ATOM 550 CA LYS A 37 10.721 -16.968 -36.324 1.00 50.15 C ATOM 551 C LYS A 37 12.042 -17.674 -36.039 1.00 23.42 C ATOM 552 O LYS A 37 13.110 -17.198 -36.426 1.00 14.12 O ATOM 553 CB LYS A 37 10.257 -16.209 -35.079 1.00 74.13 C ATOM 554 CG LYS A 37 9.308 -15.063 -35.384 1.00 41.41 C ATOM 555 CD LYS A 37 10.052 -13.851 -35.919 1.00 41.43 C ATOM 556 CE LYS A 37 9.110 -12.881 -36.616 1.00 31.00 C ATOM 557 NZ LYS A 37 8.469 -13.493 -37.813 1.00 21.44 N ATOM 0 H LYS A 37 9.024 -18.162 -36.021 1.00 4.33 H new ATOM 0 HA LYS A 37 10.876 -16.259 -37.137 1.00 50.15 H new ATOM 0 HB2 LYS A 37 9.765 -16.906 -34.401 1.00 74.13 H new ATOM 0 HB3 LYS A 37 11.130 -15.818 -34.556 1.00 74.13 H new ATOM 0 HG2 LYS A 37 8.567 -15.388 -36.114 1.00 41.41 H new ATOM 0 HG3 LYS A 37 8.765 -14.788 -34.480 1.00 41.41 H new ATOM 0 HD2 LYS A 37 10.558 -13.342 -35.099 1.00 41.43 H new ATOM 0 HD3 LYS A 37 10.824 -14.175 -36.617 1.00 41.43 H new ATOM 0 HE2 LYS A 37 8.339 -12.558 -35.917 1.00 31.00 H new ATOM 0 HE3 LYS A 37 9.662 -11.990 -36.915 1.00 31.00 H new ATOM 0 HZ1 LYS A 37 8.117 -12.742 -38.441 1.00 21.44 H new ATOM 0 HZ2 LYS A 37 9.167 -14.072 -38.323 1.00 21.44 H new ATOM 0 HZ3 LYS A 37 7.675 -14.093 -37.513 1.00 21.44 H new ATOM 571 N LYS A 38 11.964 -18.814 -35.360 1.00 71.25 N ATOM 572 CA LYS A 38 13.153 -19.589 -35.025 1.00 52.10 C ATOM 573 C LYS A 38 13.634 -20.395 -36.227 1.00 70.02 C ATOM 574 O LYS A 38 14.633 -21.111 -36.148 1.00 11.13 O ATOM 575 CB LYS A 38 12.861 -20.527 -33.852 1.00 30.40 C ATOM 576 CG LYS A 38 13.928 -20.501 -32.772 1.00 3.33 C ATOM 577 CD LYS A 38 13.322 -20.293 -31.394 1.00 1.01 C ATOM 578 CE LYS A 38 14.270 -20.746 -30.294 1.00 11.01 C ATOM 579 NZ LYS A 38 13.589 -21.622 -29.301 1.00 72.41 N ATOM 0 H LYS A 38 11.089 -19.222 -35.031 1.00 71.25 H new ATOM 0 HA LYS A 38 13.941 -18.893 -34.738 1.00 52.10 H new ATOM 0 HB2 LYS A 38 11.902 -20.255 -33.410 1.00 30.40 H new ATOM 0 HB3 LYS A 38 12.761 -21.545 -34.228 1.00 30.40 H new ATOM 0 HG2 LYS A 38 14.486 -21.437 -32.788 1.00 3.33 H new ATOM 0 HG3 LYS A 38 14.640 -19.703 -32.982 1.00 3.33 H new ATOM 0 HD2 LYS A 38 13.081 -19.239 -31.257 1.00 1.01 H new ATOM 0 HD3 LYS A 38 12.386 -20.846 -31.320 1.00 1.01 H new ATOM 0 HE2 LYS A 38 15.109 -21.283 -30.736 1.00 11.01 H new ATOM 0 HE3 LYS A 38 14.681 -19.873 -29.787 1.00 11.01 H new ATOM 0 HZ1 LYS A 38 14.268 -21.909 -28.568 1.00 72.41 H new ATOM 0 HZ2 LYS A 38 12.804 -21.102 -28.860 1.00 72.41 H new ATOM 0 HZ3 LYS A 38 13.219 -22.467 -29.780 1.00 72.41 H new ATOM 593 N HIS A 39 12.918 -20.273 -37.341 1.00 22.13 N ATOM 594 CA HIS A 39 13.274 -20.989 -38.561 1.00 21.35 C ATOM 595 C HIS A 39 13.362 -22.491 -38.303 1.00 53.42 C ATOM 596 O HIS A 39 13.018 -22.965 -37.220 1.00 73.32 O ATOM 597 CB HIS A 39 14.606 -20.475 -39.109 1.00 33.43 C ATOM 598 CG HIS A 39 15.054 -21.182 -40.351 1.00 5.50 C ATOM 599 ND1 HIS A 39 14.480 -20.970 -41.586 1.00 52.34 N ATOM 600 CD2 HIS A 39 16.030 -22.100 -40.544 1.00 1.31 C ATOM 601 CE1 HIS A 39 15.081 -21.728 -42.485 1.00 63.42 C ATOM 602 NE2 HIS A 39 16.026 -22.424 -41.878 1.00 43.44 N ATOM 0 H HIS A 39 12.088 -19.685 -37.424 1.00 22.13 H new ATOM 0 HA HIS A 39 12.493 -20.810 -39.300 1.00 21.35 H new ATOM 0 HB2 HIS A 39 14.516 -19.409 -39.320 1.00 33.43 H new ATOM 0 HB3 HIS A 39 15.372 -20.585 -38.342 1.00 33.43 H new ATOM 0 HD2 HIS A 39 16.689 -22.503 -39.789 1.00 1.31 H new ATOM 0 HE1 HIS A 39 14.841 -21.772 -43.537 1.00 63.42 H new ATOM 0 HE2 HIS A 39 16.651 -23.093 -42.328 1.00 43.44 H new TER 610 HIS A 39