USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 263 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+ 178:sc= 0 (180deg=-0.00444) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc=6.25e-05 USER MOD Single : A 10 GLN : amide:sc= -0.0199 K(o=-0.02,f=-2.2!) USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.103 (180deg=-0.478) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.021) USER MOD Single : A 19 THR OG1 : rot 25:sc= 0.634 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0446 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 24 SER OG : rot 42:sc= 0.838 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc=-0.00354 K(o=-0.0035,f=-0.52) USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.321) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.684 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.658 0.706 -0.458 1.00 54.50 N ATOM 2 CA GLY A 1 2.486 0.153 -1.513 1.00 52.54 C ATOM 3 C GLY A 1 1.678 -0.272 -2.724 1.00 24.32 C ATOM 4 O GLY A 1 1.885 -1.357 -3.267 1.00 14.00 O ATOM 0 H1 GLY A 1 2.253 0.949 0.359 1.00 54.50 H new ATOM 0 H2 GLY A 1 1.180 1.562 -0.805 1.00 54.50 H new ATOM 0 H3 GLY A 1 0.947 0.004 -0.171 1.00 54.50 H new ATOM 0 HA2 GLY A 1 3.226 0.894 -1.816 1.00 52.54 H new ATOM 0 HA3 GLY A 1 3.035 -0.706 -1.127 1.00 52.54 H new ATOM 8 N ASP A 2 0.754 0.584 -3.145 1.00 62.10 N ATOM 9 CA ASP A 2 -0.089 0.291 -4.298 1.00 71.35 C ATOM 10 C ASP A 2 0.760 -0.057 -5.517 1.00 35.32 C ATOM 11 O ASP A 2 1.774 0.588 -5.785 1.00 65.54 O ATOM 12 CB ASP A 2 -0.991 1.486 -4.615 1.00 63.04 C ATOM 13 CG ASP A 2 -0.231 2.797 -4.626 1.00 61.13 C ATOM 14 OD1 ASP A 2 0.608 2.989 -5.531 1.00 34.22 O ATOM 15 OD2 ASP A 2 -0.475 3.633 -3.730 1.00 0.23 O1- ATOM 0 H ASP A 2 0.570 1.486 -2.706 1.00 62.10 H new ATOM 0 HA ASP A 2 -0.711 -0.569 -4.052 1.00 71.35 H new ATOM 0 HB2 ASP A 2 -1.462 1.334 -5.586 1.00 63.04 H new ATOM 0 HB3 ASP A 2 -1.791 1.539 -3.877 1.00 63.04 H new ATOM 20 N ILE A 3 0.339 -1.081 -6.252 1.00 65.02 N ATOM 21 CA ILE A 3 1.060 -1.514 -7.443 1.00 62.21 C ATOM 22 C ILE A 3 0.653 -0.693 -8.661 1.00 1.00 C ATOM 23 O ILE A 3 -0.528 -0.600 -8.996 1.00 25.10 O ATOM 24 CB ILE A 3 0.814 -3.006 -7.738 1.00 4.52 C ATOM 25 CG1 ILE A 3 1.244 -3.861 -6.545 1.00 45.41 C ATOM 26 CG2 ILE A 3 1.559 -3.426 -8.995 1.00 31.14 C ATOM 27 CD1 ILE A 3 0.148 -4.067 -5.522 1.00 33.10 C ATOM 0 H ILE A 3 -0.498 -1.626 -6.044 1.00 65.02 H new ATOM 0 HA ILE A 3 2.121 -1.361 -7.243 1.00 62.21 H new ATOM 0 HB ILE A 3 -0.252 -3.159 -7.904 1.00 4.52 H new ATOM 0 HG12 ILE A 3 1.579 -4.833 -6.907 1.00 45.41 H new ATOM 0 HG13 ILE A 3 2.099 -3.390 -6.060 1.00 45.41 H new ATOM 0 HG21 ILE A 3 1.376 -4.483 -9.191 1.00 31.14 H new ATOM 0 HG22 ILE A 3 1.208 -2.834 -9.841 1.00 31.14 H new ATOM 0 HG23 ILE A 3 2.628 -3.263 -8.856 1.00 31.14 H new ATOM 0 HD11 ILE A 3 0.524 -4.682 -4.705 1.00 33.10 H new ATOM 0 HD12 ILE A 3 -0.172 -3.101 -5.132 1.00 33.10 H new ATOM 0 HD13 ILE A 3 -0.699 -4.567 -5.992 1.00 33.10 H new ATOM 39 N LYS A 4 1.641 -0.098 -9.323 1.00 42.23 N ATOM 40 CA LYS A 4 1.388 0.713 -10.508 1.00 60.33 C ATOM 41 C LYS A 4 0.927 -0.155 -11.674 1.00 34.13 C ATOM 42 O LYS A 4 1.517 -1.199 -11.957 1.00 0.02 O ATOM 43 CB LYS A 4 2.649 1.485 -10.901 1.00 0.52 C ATOM 44 CG LYS A 4 2.458 2.391 -12.105 1.00 53.23 C ATOM 45 CD LYS A 4 2.064 3.798 -11.686 1.00 21.10 C ATOM 46 CE LYS A 4 2.518 4.831 -12.707 1.00 14.23 C ATOM 47 NZ LYS A 4 1.764 6.109 -12.576 1.00 54.30 N1+ ATOM 0 H LYS A 4 2.624 -0.163 -9.058 1.00 42.23 H new ATOM 0 HA LYS A 4 0.594 1.421 -10.270 1.00 60.33 H new ATOM 0 HB2 LYS A 4 2.976 2.086 -10.053 1.00 0.52 H new ATOM 0 HB3 LYS A 4 3.448 0.775 -11.115 1.00 0.52 H new ATOM 0 HG2 LYS A 4 3.381 2.428 -12.684 1.00 53.23 H new ATOM 0 HG3 LYS A 4 1.689 1.975 -12.756 1.00 53.23 H new ATOM 0 HD2 LYS A 4 0.982 3.854 -11.567 1.00 21.10 H new ATOM 0 HD3 LYS A 4 2.504 4.026 -10.715 1.00 21.10 H new ATOM 0 HE2 LYS A 4 3.583 5.023 -12.580 1.00 14.23 H new ATOM 0 HE3 LYS A 4 2.384 4.431 -13.712 1.00 14.23 H new ATOM 0 HZ1 LYS A 4 2.103 6.786 -13.289 1.00 54.30 H new ATOM 0 HZ2 LYS A 4 0.750 5.930 -12.722 1.00 54.30 H new ATOM 0 HZ3 LYS A 4 1.912 6.504 -11.625 1.00 54.30 H new ATOM 61 N CYS A 5 -0.130 0.282 -12.351 1.00 10.41 N ATOM 62 CA CYS A 5 -0.671 -0.454 -13.487 1.00 21.11 C ATOM 63 C CYS A 5 -1.622 0.421 -14.299 1.00 1.33 C ATOM 64 O CYS A 5 -1.835 1.590 -13.976 1.00 73.11 O ATOM 65 CB CYS A 5 -1.398 -1.711 -13.008 1.00 60.55 C ATOM 66 SG CYS A 5 -2.712 -1.389 -11.788 1.00 4.21 S ATOM 0 H CYS A 5 -0.629 1.144 -12.132 1.00 10.41 H new ATOM 0 HA CYS A 5 0.161 -0.747 -14.128 1.00 21.11 H new ATOM 0 HB2 CYS A 5 -1.833 -2.217 -13.870 1.00 60.55 H new ATOM 0 HB3 CYS A 5 -0.670 -2.395 -12.571 1.00 60.55 H new ATOM 71 N SER A 6 -2.191 -0.154 -15.353 1.00 42.24 N ATOM 72 CA SER A 6 -3.118 0.573 -16.213 1.00 61.44 C ATOM 73 C SER A 6 -4.447 -0.167 -16.329 1.00 32.03 C ATOM 74 O SER A 6 -5.510 0.400 -16.079 1.00 63.32 O ATOM 75 CB SER A 6 -2.509 0.770 -17.603 1.00 50.22 C ATOM 76 OG SER A 6 -3.066 1.903 -18.247 1.00 20.54 O ATOM 0 H SER A 6 -2.027 -1.121 -15.632 1.00 42.24 H new ATOM 0 HA SER A 6 -3.303 1.548 -15.763 1.00 61.44 H new ATOM 0 HB2 SER A 6 -1.429 0.891 -17.517 1.00 50.22 H new ATOM 0 HB3 SER A 6 -2.683 -0.119 -18.209 1.00 50.22 H new ATOM 0 HG SER A 6 -2.660 2.009 -19.132 1.00 20.54 H new ATOM 82 N GLY A 7 -4.378 -1.440 -16.709 1.00 64.14 N ATOM 83 CA GLY A 7 -5.581 -2.238 -16.851 1.00 33.31 C ATOM 84 C GLY A 7 -5.934 -2.987 -15.580 1.00 44.41 C ATOM 85 O GLY A 7 -5.282 -2.819 -14.549 1.00 64.33 O ATOM 0 H GLY A 7 -3.510 -1.932 -16.921 1.00 64.14 H new ATOM 0 HA2 GLY A 7 -6.412 -1.590 -17.130 1.00 33.31 H new ATOM 0 HA3 GLY A 7 -5.446 -2.951 -17.664 1.00 33.31 H new ATOM 89 N THR A 8 -6.972 -3.814 -15.653 1.00 13.31 N ATOM 90 CA THR A 8 -7.414 -4.589 -14.499 1.00 70.34 C ATOM 91 C THR A 8 -6.533 -5.816 -14.291 1.00 24.33 C ATOM 92 O THR A 8 -5.989 -6.024 -13.207 1.00 53.31 O ATOM 93 CB THR A 8 -8.877 -5.042 -14.654 1.00 51.14 C ATOM 94 OG1 THR A 8 -9.609 -4.081 -15.423 1.00 73.14 O ATOM 95 CG2 THR A 8 -9.536 -5.217 -13.293 1.00 22.01 C ATOM 0 H THR A 8 -7.522 -3.965 -16.498 1.00 13.31 H new ATOM 0 HA THR A 8 -7.334 -3.936 -13.630 1.00 70.34 H new ATOM 0 HB THR A 8 -8.884 -6.002 -15.171 1.00 51.14 H new ATOM 0 HG1 THR A 8 -10.538 -4.378 -15.518 1.00 73.14 H new ATOM 0 HG21 THR A 8 -10.569 -5.537 -13.427 1.00 22.01 H new ATOM 0 HG22 THR A 8 -8.994 -5.970 -12.721 1.00 22.01 H new ATOM 0 HG23 THR A 8 -9.517 -4.269 -12.755 1.00 22.01 H new ATOM 103 N ARG A 9 -6.396 -6.624 -15.337 1.00 63.03 N ATOM 104 CA ARG A 9 -5.580 -7.831 -15.268 1.00 35.22 C ATOM 105 C ARG A 9 -4.185 -7.515 -14.740 1.00 62.21 C ATOM 106 O ARG A 9 -3.648 -8.242 -13.905 1.00 12.24 O ATOM 107 CB ARG A 9 -5.480 -8.484 -16.648 1.00 50.11 C ATOM 108 CG ARG A 9 -4.981 -7.543 -17.732 1.00 54.31 C ATOM 109 CD ARG A 9 -5.251 -8.099 -19.121 1.00 31.23 C ATOM 110 NE ARG A 9 -4.627 -7.290 -20.165 1.00 53.25 N ATOM 111 CZ ARG A 9 -3.316 -7.250 -20.379 1.00 74.41 C ATOM 112 NH1 ARG A 9 -2.496 -7.968 -19.626 1.00 43.15 N1+ ATOM 113 NH2 ARG A 9 -2.825 -6.490 -21.350 1.00 42.11 N ATOM 0 H ARG A 9 -6.839 -6.465 -16.242 1.00 63.03 H new ATOM 0 HA ARG A 9 -6.061 -8.526 -14.579 1.00 35.22 H new ATOM 0 HB2 ARG A 9 -4.810 -9.342 -16.587 1.00 50.11 H new ATOM 0 HB3 ARG A 9 -6.461 -8.865 -16.932 1.00 50.11 H new ATOM 0 HG2 ARG A 9 -5.468 -6.574 -17.626 1.00 54.31 H new ATOM 0 HG3 ARG A 9 -3.911 -7.377 -17.607 1.00 54.31 H new ATOM 0 HD2 ARG A 9 -4.876 -9.121 -19.182 1.00 31.23 H new ATOM 0 HD3 ARG A 9 -6.327 -8.143 -19.291 1.00 31.23 H new ATOM 0 HE ARG A 9 -5.230 -6.725 -20.762 1.00 53.25 H new ATOM 0 HH11 ARG A 9 -2.870 -8.554 -18.880 1.00 43.15 H new ATOM 0 HH12 ARG A 9 -1.490 -7.935 -19.793 1.00 43.15 H new ATOM 0 HH21 ARG A 9 -3.454 -5.937 -21.932 1.00 42.11 H new ATOM 0 HH22 ARG A 9 -1.819 -6.459 -21.514 1.00 42.11 H new ATOM 127 N GLN A 10 -3.603 -6.427 -15.235 1.00 2.21 N ATOM 128 CA GLN A 10 -2.269 -6.016 -14.813 1.00 65.23 C ATOM 129 C GLN A 10 -2.173 -5.954 -13.292 1.00 0.55 C ATOM 130 O GLN A 10 -1.109 -6.183 -12.716 1.00 51.15 O ATOM 131 CB GLN A 10 -1.918 -4.654 -15.414 1.00 4.11 C ATOM 132 CG GLN A 10 -1.417 -4.732 -16.848 1.00 74.01 C ATOM 133 CD GLN A 10 0.065 -5.036 -16.931 1.00 42.22 C ATOM 134 OE1 GLN A 10 0.568 -5.926 -16.244 1.00 13.10 O ATOM 135 NE2 GLN A 10 0.775 -4.297 -17.777 1.00 2.11 N ATOM 0 H GLN A 10 -4.034 -5.815 -15.928 1.00 2.21 H new ATOM 0 HA GLN A 10 -1.557 -6.759 -15.173 1.00 65.23 H new ATOM 0 HB2 GLN A 10 -2.799 -4.013 -15.380 1.00 4.11 H new ATOM 0 HB3 GLN A 10 -1.155 -4.180 -14.797 1.00 4.11 H new ATOM 0 HG2 GLN A 10 -1.973 -5.503 -17.382 1.00 74.01 H new ATOM 0 HG3 GLN A 10 -1.619 -3.787 -17.352 1.00 74.01 H new ATOM 0 HE21 GLN A 10 0.317 -3.570 -18.327 1.00 2.11 H new ATOM 0 HE22 GLN A 10 1.777 -4.457 -17.876 1.00 2.11 H new ATOM 144 N CYS A 11 -3.292 -5.643 -12.646 1.00 12.13 N ATOM 145 CA CYS A 11 -3.336 -5.550 -11.192 1.00 65.14 C ATOM 146 C CYS A 11 -3.525 -6.927 -10.564 1.00 41.34 C ATOM 147 O CYS A 11 -2.938 -7.234 -9.527 1.00 2.11 O ATOM 148 CB CYS A 11 -4.466 -4.616 -10.754 1.00 10.03 C ATOM 149 SG CYS A 11 -4.680 -4.506 -8.948 1.00 1.12 S ATOM 0 H CYS A 11 -4.181 -5.451 -13.107 1.00 12.13 H new ATOM 0 HA CYS A 11 -2.385 -5.143 -10.850 1.00 65.14 H new ATOM 0 HB2 CYS A 11 -4.272 -3.618 -11.148 1.00 10.03 H new ATOM 0 HB3 CYS A 11 -5.400 -4.959 -11.200 1.00 10.03 H new ATOM 154 N TRP A 12 -4.348 -7.753 -11.201 1.00 72.32 N ATOM 155 CA TRP A 12 -4.615 -9.098 -10.705 1.00 3.31 C ATOM 156 C TRP A 12 -3.317 -9.871 -10.501 1.00 33.15 C ATOM 157 O TRP A 12 -3.167 -10.606 -9.527 1.00 61.15 O ATOM 158 CB TRP A 12 -5.526 -9.851 -11.677 1.00 71.44 C ATOM 159 CG TRP A 12 -6.870 -9.211 -11.847 1.00 61.14 C ATOM 160 CD1 TRP A 12 -7.351 -8.124 -11.176 1.00 73.05 C ATOM 161 CD2 TRP A 12 -7.907 -9.623 -12.746 1.00 41.42 C ATOM 162 NE1 TRP A 12 -8.625 -7.834 -11.604 1.00 4.11 N ATOM 163 CE2 TRP A 12 -8.987 -8.738 -12.567 1.00 35.24 C ATOM 164 CE3 TRP A 12 -8.025 -10.650 -13.686 1.00 40.33 C ATOM 165 CZ2 TRP A 12 -10.171 -8.851 -13.292 1.00 42.32 C ATOM 166 CZ3 TRP A 12 -9.199 -10.761 -14.405 1.00 31.34 C ATOM 167 CH2 TRP A 12 -10.259 -9.867 -14.206 1.00 44.03 C ATOM 0 H TRP A 12 -4.841 -7.515 -12.061 1.00 72.32 H new ATOM 0 HA TRP A 12 -5.118 -9.010 -9.742 1.00 3.31 H new ATOM 0 HB2 TRP A 12 -5.036 -9.914 -12.649 1.00 71.44 H new ATOM 0 HB3 TRP A 12 -5.660 -10.872 -11.321 1.00 71.44 H new ATOM 0 HD1 TRP A 12 -6.811 -7.573 -10.420 1.00 73.05 H new ATOM 0 HE1 TRP A 12 -9.206 -7.070 -11.260 1.00 4.11 H new ATOM 0 HE3 TRP A 12 -7.213 -11.344 -13.847 1.00 40.33 H new ATOM 0 HZ2 TRP A 12 -10.989 -8.163 -13.139 1.00 42.32 H new ATOM 0 HZ3 TRP A 12 -9.302 -11.551 -15.134 1.00 31.34 H new ATOM 0 HH2 TRP A 12 -11.164 -9.981 -14.785 1.00 44.03 H new ATOM 178 N GLY A 13 -2.380 -9.701 -11.429 1.00 71.22 N ATOM 179 CA GLY A 13 -1.106 -10.389 -11.333 1.00 42.02 C ATOM 180 C GLY A 13 -0.457 -10.220 -9.974 1.00 40.21 C ATOM 181 O GLY A 13 -0.324 -11.171 -9.204 1.00 54.21 O ATOM 0 H GLY A 13 -2.481 -9.099 -12.246 1.00 71.22 H new ATOM 0 HA2 GLY A 13 -1.254 -11.450 -11.532 1.00 42.02 H new ATOM 0 HA3 GLY A 13 -0.433 -10.011 -12.103 1.00 42.02 H new ATOM 185 N PRO A 14 -0.038 -8.985 -9.664 1.00 4.43 N ATOM 186 CA PRO A 14 0.609 -8.666 -8.388 1.00 22.31 C ATOM 187 C PRO A 14 -0.360 -8.738 -7.212 1.00 31.34 C ATOM 188 O PRO A 14 0.046 -8.977 -6.074 1.00 32.04 O ATOM 189 CB PRO A 14 1.100 -7.229 -8.589 1.00 13.02 C ATOM 190 CG PRO A 14 0.193 -6.661 -9.625 1.00 33.44 C ATOM 191 CD PRO A 14 -0.164 -7.804 -10.534 1.00 22.03 C ATOM 0 HA PRO A 14 1.403 -9.373 -8.146 1.00 22.31 H new ATOM 0 HB2 PRO A 14 1.047 -6.659 -7.661 1.00 13.02 H new ATOM 0 HB3 PRO A 14 2.139 -7.208 -8.918 1.00 13.02 H new ATOM 0 HG2 PRO A 14 -0.699 -6.231 -9.169 1.00 33.44 H new ATOM 0 HG3 PRO A 14 0.685 -5.861 -10.178 1.00 33.44 H new ATOM 0 HD2 PRO A 14 -1.175 -7.702 -10.929 1.00 22.03 H new ATOM 0 HD3 PRO A 14 0.509 -7.862 -11.390 1.00 22.03 H new ATOM 199 N CYS A 15 -1.641 -8.532 -7.495 1.00 62.23 N ATOM 200 CA CYS A 15 -2.669 -8.573 -6.461 1.00 3.44 C ATOM 201 C CYS A 15 -2.824 -9.986 -5.906 1.00 30.12 C ATOM 202 O CYS A 15 -3.132 -10.172 -4.728 1.00 73.25 O ATOM 203 CB CYS A 15 -4.006 -8.084 -7.022 1.00 74.34 C ATOM 204 SG CYS A 15 -5.341 -7.993 -5.786 1.00 62.22 S ATOM 0 H CYS A 15 -1.993 -8.335 -8.432 1.00 62.23 H new ATOM 0 HA CYS A 15 -2.361 -7.914 -5.650 1.00 3.44 H new ATOM 0 HB2 CYS A 15 -3.864 -7.097 -7.462 1.00 74.34 H new ATOM 0 HB3 CYS A 15 -4.316 -8.750 -7.827 1.00 74.34 H new ATOM 209 N LYS A 16 -2.610 -10.980 -6.761 1.00 64.42 N ATOM 210 CA LYS A 16 -2.723 -12.376 -6.358 1.00 3.12 C ATOM 211 C LYS A 16 -1.552 -12.783 -5.470 1.00 25.42 C ATOM 212 O LYS A 16 -1.725 -13.504 -4.487 1.00 50.24 O ATOM 213 CB LYS A 16 -2.780 -13.281 -7.591 1.00 71.40 C ATOM 214 CG LYS A 16 -3.771 -14.425 -7.459 1.00 31.03 C ATOM 215 CD LYS A 16 -3.260 -15.499 -6.513 1.00 10.24 C ATOM 216 CE LYS A 16 -2.021 -16.186 -7.067 1.00 12.14 C ATOM 217 NZ LYS A 16 -2.241 -16.696 -8.449 1.00 44.01 N1+ ATOM 0 H LYS A 16 -2.357 -10.844 -7.740 1.00 64.42 H new ATOM 0 HA LYS A 16 -3.645 -12.490 -5.788 1.00 3.12 H new ATOM 0 HB2 LYS A 16 -3.045 -12.680 -8.461 1.00 71.40 H new ATOM 0 HB3 LYS A 16 -1.787 -13.691 -7.777 1.00 71.40 H new ATOM 0 HG2 LYS A 16 -4.724 -14.042 -7.095 1.00 31.03 H new ATOM 0 HG3 LYS A 16 -3.957 -14.862 -8.440 1.00 31.03 H new ATOM 0 HD2 LYS A 16 -3.028 -15.053 -5.546 1.00 10.24 H new ATOM 0 HD3 LYS A 16 -4.043 -16.239 -6.344 1.00 10.24 H new ATOM 0 HE2 LYS A 16 -1.186 -15.485 -7.067 1.00 12.14 H new ATOM 0 HE3 LYS A 16 -1.742 -17.013 -6.415 1.00 12.14 H new ATOM 0 HZ1 LYS A 16 -1.505 -17.392 -8.683 1.00 44.01 H new ATOM 0 HZ2 LYS A 16 -3.176 -17.147 -8.508 1.00 44.01 H new ATOM 0 HZ3 LYS A 16 -2.196 -15.905 -9.122 1.00 44.01 H new ATOM 231 N LYS A 17 -0.358 -12.316 -5.821 1.00 20.43 N ATOM 232 CA LYS A 17 0.842 -12.628 -5.054 1.00 52.42 C ATOM 233 C LYS A 17 0.691 -12.186 -3.603 1.00 3.52 C ATOM 234 O LYS A 17 1.201 -12.836 -2.691 1.00 41.22 O ATOM 235 CB LYS A 17 2.063 -11.951 -5.682 1.00 61.20 C ATOM 236 CG LYS A 17 3.374 -12.648 -5.364 1.00 31.15 C ATOM 237 CD LYS A 17 3.572 -13.884 -6.225 1.00 5.45 C ATOM 238 CE LYS A 17 4.599 -14.828 -5.617 1.00 32.53 C ATOM 239 NZ LYS A 17 4.929 -15.952 -6.537 1.00 63.43 N1+ ATOM 0 H LYS A 17 -0.196 -11.720 -6.632 1.00 20.43 H new ATOM 0 HA LYS A 17 0.984 -13.709 -5.072 1.00 52.42 H new ATOM 0 HB2 LYS A 17 1.933 -11.916 -6.764 1.00 61.20 H new ATOM 0 HB3 LYS A 17 2.116 -10.919 -5.334 1.00 61.20 H new ATOM 0 HG2 LYS A 17 4.202 -11.957 -5.522 1.00 31.15 H new ATOM 0 HG3 LYS A 17 3.391 -12.930 -4.311 1.00 31.15 H new ATOM 0 HD2 LYS A 17 2.621 -14.404 -6.341 1.00 5.45 H new ATOM 0 HD3 LYS A 17 3.896 -13.586 -7.222 1.00 5.45 H new ATOM 0 HE2 LYS A 17 5.507 -14.274 -5.380 1.00 32.53 H new ATOM 0 HE3 LYS A 17 4.215 -15.227 -4.678 1.00 32.53 H new ATOM 0 HZ1 LYS A 17 5.632 -16.573 -6.088 1.00 63.43 H new ATOM 0 HZ2 LYS A 17 4.067 -16.496 -6.743 1.00 63.43 H new ATOM 0 HZ3 LYS A 17 5.319 -15.572 -7.423 1.00 63.43 H new ATOM 253 N GLN A 18 -0.013 -11.078 -3.397 1.00 3.42 N ATOM 254 CA GLN A 18 -0.231 -10.550 -2.055 1.00 74.11 C ATOM 255 C GLN A 18 -1.517 -11.107 -1.453 1.00 31.40 C ATOM 256 O GLN A 18 -1.543 -11.530 -0.297 1.00 41.21 O ATOM 257 CB GLN A 18 -0.289 -9.022 -2.088 1.00 50.14 C ATOM 258 CG GLN A 18 1.079 -8.363 -2.148 1.00 1.24 C ATOM 259 CD GLN A 18 1.008 -6.856 -1.999 1.00 33.51 C ATOM 260 OE1 GLN A 18 1.749 -6.262 -1.214 1.00 40.45 O ATOM 261 NE2 GLN A 18 0.113 -6.228 -2.752 1.00 65.50 N ATOM 0 H GLN A 18 -0.442 -10.529 -4.142 1.00 3.42 H new ATOM 0 HA GLN A 18 0.606 -10.861 -1.429 1.00 74.11 H new ATOM 0 HB2 GLN A 18 -0.873 -8.707 -2.953 1.00 50.14 H new ATOM 0 HB3 GLN A 18 -0.815 -8.667 -1.202 1.00 50.14 H new ATOM 0 HG2 GLN A 18 1.710 -8.773 -1.360 1.00 1.24 H new ATOM 0 HG3 GLN A 18 1.555 -8.608 -3.097 1.00 1.24 H new ATOM 0 HE21 GLN A 18 -0.481 -6.759 -3.389 1.00 65.50 H new ATOM 0 HE22 GLN A 18 0.019 -5.214 -2.694 1.00 65.50 H new ATOM 270 N THR A 19 -2.585 -11.104 -2.245 1.00 31.11 N ATOM 271 CA THR A 19 -3.876 -11.607 -1.792 1.00 55.23 C ATOM 272 C THR A 19 -4.546 -12.453 -2.867 1.00 11.43 C ATOM 273 O THR A 19 -4.797 -11.981 -3.977 1.00 51.24 O ATOM 274 CB THR A 19 -4.819 -10.455 -1.397 1.00 50.44 C ATOM 275 OG1 THR A 19 -5.145 -9.671 -2.551 1.00 72.12 O ATOM 276 CG2 THR A 19 -4.179 -9.569 -0.339 1.00 74.11 C ATOM 0 H THR A 19 -2.581 -10.758 -3.205 1.00 31.11 H new ATOM 0 HA THR A 19 -3.684 -12.227 -0.916 1.00 55.23 H new ATOM 0 HB THR A 19 -5.730 -10.887 -0.983 1.00 50.44 H new ATOM 0 HG1 THR A 19 -5.053 -10.221 -3.357 1.00 72.12 H new ATOM 0 HG21 THR A 19 -4.864 -8.763 -0.077 1.00 74.11 H new ATOM 0 HG22 THR A 19 -3.960 -10.162 0.549 1.00 74.11 H new ATOM 0 HG23 THR A 19 -3.254 -9.146 -0.730 1.00 74.11 H new ATOM 284 N THR A 20 -4.836 -13.707 -2.534 1.00 61.13 N ATOM 285 CA THR A 20 -5.477 -14.618 -3.472 1.00 1.13 C ATOM 286 C THR A 20 -6.630 -13.938 -4.200 1.00 5.33 C ATOM 287 O THR A 20 -6.880 -14.205 -5.376 1.00 5.34 O ATOM 288 CB THR A 20 -6.007 -15.877 -2.759 1.00 61.25 C ATOM 289 OG1 THR A 20 -6.791 -15.502 -1.622 1.00 10.11 O ATOM 290 CG2 THR A 20 -4.859 -16.772 -2.317 1.00 3.31 C ATOM 0 H THR A 20 -4.636 -14.114 -1.620 1.00 61.13 H new ATOM 0 HA THR A 20 -4.717 -14.911 -4.196 1.00 1.13 H new ATOM 0 HB THR A 20 -6.629 -16.431 -3.462 1.00 61.25 H new ATOM 0 HG1 THR A 20 -7.126 -16.308 -1.175 1.00 10.11 H new ATOM 0 HG21 THR A 20 -5.258 -17.654 -1.816 1.00 3.31 H new ATOM 0 HG22 THR A 20 -4.281 -17.079 -3.188 1.00 3.31 H new ATOM 0 HG23 THR A 20 -4.215 -16.224 -1.629 1.00 3.31 H new ATOM 298 N CYS A 21 -7.330 -13.055 -3.494 1.00 64.14 N ATOM 299 CA CYS A 21 -8.458 -12.335 -4.073 1.00 5.11 C ATOM 300 C CYS A 21 -7.981 -11.323 -5.113 1.00 40.40 C ATOM 301 O CYS A 21 -7.641 -10.187 -4.781 1.00 21.12 O ATOM 302 CB CYS A 21 -9.250 -11.621 -2.977 1.00 1.52 C ATOM 303 SG CYS A 21 -10.199 -12.739 -1.897 1.00 50.33 S ATOM 0 H CYS A 21 -7.136 -12.821 -2.520 1.00 64.14 H new ATOM 0 HA CYS A 21 -9.106 -13.060 -4.567 1.00 5.11 H new ATOM 0 HB2 CYS A 21 -8.560 -11.041 -2.365 1.00 1.52 H new ATOM 0 HB3 CYS A 21 -9.936 -10.913 -3.442 1.00 1.52 H new ATOM 308 N THR A 22 -7.960 -11.745 -6.374 1.00 14.00 N ATOM 309 CA THR A 22 -7.525 -10.879 -7.462 1.00 51.41 C ATOM 310 C THR A 22 -8.497 -9.721 -7.665 1.00 53.53 C ATOM 311 O THR A 22 -8.126 -8.673 -8.189 1.00 3.31 O ATOM 312 CB THR A 22 -7.392 -11.659 -8.782 1.00 73.14 C ATOM 313 OG1 THR A 22 -8.378 -12.697 -8.840 1.00 3.21 O ATOM 314 CG2 THR A 22 -6.003 -12.266 -8.915 1.00 14.31 C ATOM 0 H THR A 22 -8.239 -12.681 -6.666 1.00 14.00 H new ATOM 0 HA THR A 22 -6.548 -10.486 -7.181 1.00 51.41 H new ATOM 0 HB THR A 22 -7.548 -10.963 -9.606 1.00 73.14 H new ATOM 0 HG1 THR A 22 -8.288 -13.187 -9.684 1.00 3.21 H new ATOM 0 HG21 THR A 22 -5.933 -12.812 -9.856 1.00 14.31 H new ATOM 0 HG22 THR A 22 -5.256 -11.472 -8.900 1.00 14.31 H new ATOM 0 HG23 THR A 22 -5.823 -12.949 -8.085 1.00 14.31 H new ATOM 322 N ASN A 23 -9.742 -9.920 -7.245 1.00 53.41 N ATOM 323 CA ASN A 23 -10.767 -8.892 -7.381 1.00 34.21 C ATOM 324 C ASN A 23 -10.254 -7.543 -6.884 1.00 20.55 C ATOM 325 O ASN A 23 -10.143 -7.315 -5.680 1.00 5.23 O ATOM 326 CB ASN A 23 -12.024 -9.289 -6.604 1.00 61.22 C ATOM 327 CG ASN A 23 -13.274 -8.623 -7.146 1.00 4.53 C ATOM 328 OD1 ASN A 23 -13.686 -8.880 -8.277 1.00 12.23 O ATOM 329 ND2 ASN A 23 -13.882 -7.761 -6.339 1.00 73.14 N ATOM 0 H ASN A 23 -10.065 -10.783 -6.808 1.00 53.41 H new ATOM 0 HA ASN A 23 -11.015 -8.800 -8.438 1.00 34.21 H new ATOM 0 HB2 ASN A 23 -12.146 -10.371 -6.644 1.00 61.22 H new ATOM 0 HB3 ASN A 23 -11.899 -9.021 -5.555 1.00 61.22 H new ATOM 0 HD21 ASN A 23 -14.727 -7.281 -6.649 1.00 73.14 H new ATOM 0 HD22 ASN A 23 -13.504 -7.579 -5.409 1.00 73.14 H new ATOM 336 N SER A 24 -9.943 -6.653 -7.822 1.00 54.05 N ATOM 337 CA SER A 24 -9.439 -5.328 -7.480 1.00 34.31 C ATOM 338 C SER A 24 -9.815 -4.311 -8.552 1.00 44.51 C ATOM 339 O SER A 24 -10.384 -4.662 -9.587 1.00 53.52 O ATOM 340 CB SER A 24 -7.920 -5.366 -7.307 1.00 75.00 C ATOM 341 OG SER A 24 -7.426 -4.119 -6.850 1.00 22.34 O ATOM 0 H SER A 24 -10.031 -6.826 -8.823 1.00 54.05 H new ATOM 0 HA SER A 24 -9.897 -5.024 -6.539 1.00 34.31 H new ATOM 0 HB2 SER A 24 -7.651 -6.149 -6.598 1.00 75.00 H new ATOM 0 HB3 SER A 24 -7.449 -5.621 -8.256 1.00 75.00 H new ATOM 0 HG SER A 24 -8.026 -3.761 -6.163 1.00 22.34 H new ATOM 347 N LYS A 25 -9.493 -3.047 -8.300 1.00 3.11 N ATOM 348 CA LYS A 25 -9.794 -1.976 -9.243 1.00 42.00 C ATOM 349 C LYS A 25 -8.587 -1.064 -9.434 1.00 25.42 C ATOM 350 O LYS A 25 -8.123 -0.424 -8.490 1.00 61.41 O ATOM 351 CB LYS A 25 -10.990 -1.159 -8.751 1.00 42.44 C ATOM 352 CG LYS A 25 -11.973 -0.797 -9.852 1.00 20.30 C ATOM 353 CD LYS A 25 -12.688 0.511 -9.555 1.00 61.22 C ATOM 354 CE LYS A 25 -14.006 0.609 -10.307 1.00 34.25 C ATOM 355 NZ LYS A 25 -13.812 1.058 -11.713 1.00 70.51 N1+ ATOM 0 H LYS A 25 -9.023 -2.739 -7.449 1.00 3.11 H new ATOM 0 HA LYS A 25 -10.040 -2.429 -10.203 1.00 42.00 H new ATOM 0 HB2 LYS A 25 -11.513 -1.724 -7.980 1.00 42.44 H new ATOM 0 HB3 LYS A 25 -10.627 -0.243 -8.284 1.00 42.44 H new ATOM 0 HG2 LYS A 25 -11.443 -0.716 -10.801 1.00 20.30 H new ATOM 0 HG3 LYS A 25 -12.706 -1.596 -9.963 1.00 20.30 H new ATOM 0 HD2 LYS A 25 -12.872 0.591 -8.484 1.00 61.22 H new ATOM 0 HD3 LYS A 25 -12.047 1.348 -9.831 1.00 61.22 H new ATOM 0 HE2 LYS A 25 -14.500 -0.363 -10.301 1.00 34.25 H new ATOM 0 HE3 LYS A 25 -14.667 1.306 -9.791 1.00 34.25 H new ATOM 0 HZ1 LYS A 25 -14.734 1.112 -12.191 1.00 70.51 H new ATOM 0 HZ2 LYS A 25 -13.364 1.996 -11.719 1.00 70.51 H new ATOM 0 HZ3 LYS A 25 -13.202 0.380 -12.213 1.00 70.51 H new ATOM 369 N CYS A 26 -8.082 -1.008 -10.662 1.00 32.25 N ATOM 370 CA CYS A 26 -6.930 -0.174 -10.979 1.00 41.13 C ATOM 371 C CYS A 26 -7.366 1.240 -11.348 1.00 2.13 C ATOM 372 O CYS A 26 -7.782 1.498 -12.477 1.00 2.40 O ATOM 373 CB CYS A 26 -6.129 -0.788 -12.130 1.00 14.14 C ATOM 374 SG CYS A 26 -4.364 -0.339 -12.132 1.00 22.13 S ATOM 0 H CYS A 26 -8.454 -1.531 -11.455 1.00 32.25 H new ATOM 0 HA CYS A 26 -6.298 -0.121 -10.092 1.00 41.13 H new ATOM 0 HB2 CYS A 26 -6.216 -1.873 -12.081 1.00 14.14 H new ATOM 0 HB3 CYS A 26 -6.573 -0.475 -13.075 1.00 14.14 H new ATOM 379 N MET A 27 -7.268 2.153 -10.386 1.00 14.44 N ATOM 380 CA MET A 27 -7.652 3.542 -10.610 1.00 2.23 C ATOM 381 C MET A 27 -6.500 4.485 -10.278 1.00 31.21 C ATOM 382 O MET A 27 -5.781 4.282 -9.300 1.00 4.41 O ATOM 383 CB MET A 27 -8.877 3.898 -9.764 1.00 42.02 C ATOM 384 CG MET A 27 -8.754 3.476 -8.309 1.00 64.14 C ATOM 385 SD MET A 27 -9.875 4.384 -7.226 1.00 13.43 S ATOM 386 CE MET A 27 -9.093 4.122 -5.636 1.00 12.31 C ATOM 0 H MET A 27 -6.926 1.956 -9.445 1.00 14.44 H new ATOM 0 HA MET A 27 -7.901 3.658 -11.665 1.00 2.23 H new ATOM 0 HB2 MET A 27 -9.039 4.975 -9.809 1.00 42.02 H new ATOM 0 HB3 MET A 27 -9.758 3.425 -10.198 1.00 42.02 H new ATOM 0 HG2 MET A 27 -8.959 2.409 -8.226 1.00 64.14 H new ATOM 0 HG3 MET A 27 -7.728 3.630 -7.975 1.00 64.14 H new ATOM 0 HE1 MET A 27 -9.670 4.624 -4.860 1.00 12.31 H new ATOM 0 HE2 MET A 27 -9.050 3.054 -5.423 1.00 12.31 H new ATOM 0 HE3 MET A 27 -8.082 4.528 -5.656 1.00 12.31 H new ATOM 396 N ASN A 28 -6.329 5.515 -11.101 1.00 52.54 N ATOM 397 CA ASN A 28 -5.262 6.488 -10.895 1.00 2.02 C ATOM 398 C ASN A 28 -3.894 5.816 -10.948 1.00 30.13 C ATOM 399 O ASN A 28 -2.975 6.196 -10.222 1.00 54.41 O ATOM 400 CB ASN A 28 -5.443 7.197 -9.551 1.00 14.20 C ATOM 401 CG ASN A 28 -6.858 7.704 -9.349 1.00 24.05 C ATOM 402 OD1 ASN A 28 -7.569 7.991 -10.313 1.00 41.04 O ATOM 403 ND2 ASN A 28 -7.273 7.817 -8.094 1.00 74.35 N ATOM 0 H ASN A 28 -6.915 5.697 -11.916 1.00 52.54 H new ATOM 0 HA ASN A 28 -5.316 7.224 -11.697 1.00 2.02 H new ATOM 0 HB2 ASN A 28 -5.188 6.510 -8.744 1.00 14.20 H new ATOM 0 HB3 ASN A 28 -4.748 8.034 -9.489 1.00 14.20 H new ATOM 0 HD21 ASN A 28 -8.216 8.153 -7.897 1.00 74.35 H new ATOM 0 HD22 ASN A 28 -6.649 7.568 -7.326 1.00 74.35 H new ATOM 410 N GLY A 29 -3.766 4.814 -11.813 1.00 74.33 N ATOM 411 CA GLY A 29 -2.507 4.105 -11.944 1.00 71.42 C ATOM 412 C GLY A 29 -2.080 3.435 -10.654 1.00 42.04 C ATOM 413 O GLY A 29 -0.892 3.215 -10.423 1.00 24.02 O ATOM 0 H GLY A 29 -4.511 4.481 -12.425 1.00 74.33 H new ATOM 0 HA2 GLY A 29 -2.598 3.353 -12.727 1.00 71.42 H new ATOM 0 HA3 GLY A 29 -1.732 4.803 -12.261 1.00 71.42 H new ATOM 417 N LYS A 30 -3.053 3.110 -9.808 1.00 63.53 N ATOM 418 CA LYS A 30 -2.773 2.461 -8.533 1.00 43.44 C ATOM 419 C LYS A 30 -3.617 1.201 -8.367 1.00 71.13 C ATOM 420 O LYS A 30 -4.765 1.148 -8.808 1.00 11.40 O ATOM 421 CB LYS A 30 -3.046 3.426 -7.376 1.00 33.24 C ATOM 422 CG LYS A 30 -2.450 4.807 -7.584 1.00 74.01 C ATOM 423 CD LYS A 30 -2.041 5.442 -6.265 1.00 25.24 C ATOM 424 CE LYS A 30 -3.200 6.189 -5.622 1.00 11.40 C ATOM 425 NZ LYS A 30 -4.136 5.266 -4.924 1.00 10.43 N1+ ATOM 0 H LYS A 30 -4.042 3.286 -9.983 1.00 63.53 H new ATOM 0 HA LYS A 30 -1.721 2.177 -8.521 1.00 43.44 H new ATOM 0 HB2 LYS A 30 -4.123 3.521 -7.239 1.00 33.24 H new ATOM 0 HB3 LYS A 30 -2.644 3.001 -6.456 1.00 33.24 H new ATOM 0 HG2 LYS A 30 -1.582 4.735 -8.239 1.00 74.01 H new ATOM 0 HG3 LYS A 30 -3.176 5.446 -8.087 1.00 74.01 H new ATOM 0 HD2 LYS A 30 -1.682 4.670 -5.584 1.00 25.24 H new ATOM 0 HD3 LYS A 30 -1.212 6.130 -6.433 1.00 25.24 H new ATOM 0 HE2 LYS A 30 -2.812 6.919 -4.911 1.00 11.40 H new ATOM 0 HE3 LYS A 30 -3.742 6.746 -6.386 1.00 11.40 H new ATOM 0 HZ1 LYS A 30 -4.700 5.801 -4.233 1.00 10.43 H new ATOM 0 HZ2 LYS A 30 -4.770 4.823 -5.619 1.00 10.43 H new ATOM 0 HZ3 LYS A 30 -3.593 4.528 -4.431 1.00 10.43 H new ATOM 439 N CYS A 31 -3.040 0.189 -7.727 1.00 43.43 N ATOM 440 CA CYS A 31 -3.738 -1.072 -7.502 1.00 4.11 C ATOM 441 C CYS A 31 -4.169 -1.201 -6.044 1.00 40.43 C ATOM 442 O CYS A 31 -3.334 -1.267 -5.142 1.00 21.25 O ATOM 443 CB CYS A 31 -2.842 -2.251 -7.887 1.00 55.25 C ATOM 444 SG CYS A 31 -3.535 -3.881 -7.461 1.00 65.24 S ATOM 0 H CYS A 31 -2.091 0.217 -7.355 1.00 43.43 H new ATOM 0 HA CYS A 31 -4.630 -1.083 -8.129 1.00 4.11 H new ATOM 0 HB2 CYS A 31 -2.656 -2.217 -8.960 1.00 55.25 H new ATOM 0 HB3 CYS A 31 -1.877 -2.137 -7.392 1.00 55.25 H new ATOM 449 N LYS A 32 -5.478 -1.236 -5.821 1.00 74.21 N ATOM 450 CA LYS A 32 -6.023 -1.359 -4.474 1.00 53.14 C ATOM 451 C LYS A 32 -6.768 -2.679 -4.307 1.00 52.43 C ATOM 452 O LYS A 32 -7.936 -2.796 -4.679 1.00 3.45 O ATOM 453 CB LYS A 32 -6.963 -0.189 -4.172 1.00 62.41 C ATOM 454 CG LYS A 32 -7.755 -0.361 -2.889 1.00 24.11 C ATOM 455 CD LYS A 32 -6.841 -0.446 -1.676 1.00 63.34 C ATOM 456 CE LYS A 32 -6.231 0.906 -1.343 1.00 71.20 C ATOM 457 NZ LYS A 32 -7.090 1.688 -0.412 1.00 24.04 N1+ ATOM 0 H LYS A 32 -6.182 -1.181 -6.557 1.00 74.21 H new ATOM 0 HA LYS A 32 -5.191 -1.340 -3.770 1.00 53.14 H new ATOM 0 HB2 LYS A 32 -6.378 0.729 -4.108 1.00 62.41 H new ATOM 0 HB3 LYS A 32 -7.657 -0.067 -5.004 1.00 62.41 H new ATOM 0 HG2 LYS A 32 -8.442 0.476 -2.770 1.00 24.11 H new ATOM 0 HG3 LYS A 32 -8.361 -1.265 -2.953 1.00 24.11 H new ATOM 0 HD2 LYS A 32 -7.405 -0.813 -0.819 1.00 63.34 H new ATOM 0 HD3 LYS A 32 -6.047 -1.168 -1.867 1.00 63.34 H new ATOM 0 HE2 LYS A 32 -5.248 0.760 -0.895 1.00 71.20 H new ATOM 0 HE3 LYS A 32 -6.081 1.473 -2.262 1.00 71.20 H new ATOM 0 HZ1 LYS A 32 -6.639 2.603 -0.210 1.00 24.04 H new ATOM 0 HZ2 LYS A 32 -8.019 1.849 -0.850 1.00 24.04 H new ATOM 0 HZ3 LYS A 32 -7.212 1.159 0.475 1.00 24.04 H new ATOM 471 N CYS A 33 -6.087 -3.671 -3.744 1.00 32.12 N ATOM 472 CA CYS A 33 -6.684 -4.983 -3.525 1.00 63.03 C ATOM 473 C CYS A 33 -7.876 -4.887 -2.578 1.00 61.42 C ATOM 474 O CYS A 33 -7.784 -4.290 -1.506 1.00 15.41 O ATOM 475 CB CYS A 33 -5.645 -5.952 -2.958 1.00 75.43 C ATOM 476 SG CYS A 33 -4.634 -6.784 -4.225 1.00 63.24 S ATOM 0 H CYS A 33 -5.120 -3.591 -3.431 1.00 32.12 H new ATOM 0 HA CYS A 33 -7.035 -5.359 -4.486 1.00 63.03 H new ATOM 0 HB2 CYS A 33 -4.986 -5.407 -2.283 1.00 75.43 H new ATOM 0 HB3 CYS A 33 -6.156 -6.708 -2.362 1.00 75.43 H new ATOM 481 N TYR A 34 -8.994 -5.481 -2.982 1.00 11.34 N ATOM 482 CA TYR A 34 -10.206 -5.461 -2.171 1.00 13.21 C ATOM 483 C TYR A 34 -10.095 -6.436 -1.003 1.00 65.13 C ATOM 484 O TYR A 34 -10.597 -6.173 0.089 1.00 3.32 O ATOM 485 CB TYR A 34 -11.425 -5.810 -3.028 1.00 53.31 C ATOM 486 CG TYR A 34 -11.882 -4.678 -3.921 1.00 31.41 C ATOM 487 CD1 TYR A 34 -12.166 -4.898 -5.263 1.00 74.15 C ATOM 488 CD2 TYR A 34 -12.028 -3.389 -3.422 1.00 73.21 C ATOM 489 CE1 TYR A 34 -12.583 -3.867 -6.083 1.00 23.02 C ATOM 490 CE2 TYR A 34 -12.445 -2.353 -4.234 1.00 71.21 C ATOM 491 CZ TYR A 34 -12.722 -2.597 -5.564 1.00 70.55 C ATOM 492 OH TYR A 34 -13.137 -1.566 -6.376 1.00 44.45 O ATOM 0 H TYR A 34 -9.086 -5.982 -3.866 1.00 11.34 H new ATOM 0 HA TYR A 34 -10.329 -4.455 -1.771 1.00 13.21 H new ATOM 0 HB2 TYR A 34 -11.188 -6.676 -3.646 1.00 53.31 H new ATOM 0 HB3 TYR A 34 -12.247 -6.100 -2.374 1.00 53.31 H new ATOM 0 HD1 TYR A 34 -12.059 -5.892 -5.672 1.00 74.15 H new ATOM 0 HD2 TYR A 34 -11.812 -3.195 -2.382 1.00 73.21 H new ATOM 0 HE1 TYR A 34 -12.799 -4.055 -7.124 1.00 23.02 H new ATOM 0 HE2 TYR A 34 -12.554 -1.357 -3.831 1.00 71.21 H new ATOM 0 HH TYR A 34 -13.184 -0.738 -5.855 1.00 44.45 H new ATOM 502 N GLY A 35 -9.433 -7.563 -1.242 1.00 60.11 N ATOM 503 CA GLY A 35 -9.267 -8.561 -0.202 1.00 31.44 C ATOM 504 C GLY A 35 -10.498 -9.429 -0.029 1.00 22.31 C ATOM 505 O GLY A 35 -11.562 -9.126 -0.573 1.00 24.14 O ATOM 0 H GLY A 35 -9.008 -7.803 -2.138 1.00 60.11 H new ATOM 0 HA2 GLY A 35 -8.412 -9.193 -0.442 1.00 31.44 H new ATOM 0 HA3 GLY A 35 -9.041 -8.064 0.741 1.00 31.44 H new ATOM 509 N CYS A 36 -10.355 -10.510 0.729 1.00 75.53 N ATOM 510 CA CYS A 36 -11.464 -11.427 0.970 1.00 65.11 C ATOM 511 C CYS A 36 -12.309 -10.958 2.152 1.00 41.33 C ATOM 512 O CYS A 36 -11.833 -10.902 3.286 1.00 10.24 O ATOM 513 CB CYS A 36 -10.937 -12.839 1.234 1.00 42.43 C ATOM 514 SG CYS A 36 -9.832 -13.476 -0.066 1.00 34.34 S ATOM 0 H CYS A 36 -9.483 -10.773 1.187 1.00 75.53 H new ATOM 0 HA CYS A 36 -12.092 -11.442 0.079 1.00 65.11 H new ATOM 0 HB2 CYS A 36 -10.403 -12.844 2.184 1.00 42.43 H new ATOM 0 HB3 CYS A 36 -11.784 -13.517 1.341 1.00 42.43 H new ATOM 519 N VAL A 37 -13.565 -10.624 1.877 1.00 53.23 N ATOM 520 CA VAL A 37 -14.479 -10.162 2.916 1.00 44.41 C ATOM 521 C VAL A 37 -15.748 -11.004 2.947 1.00 14.31 C ATOM 522 O VAL A 37 -16.635 -10.780 3.770 1.00 1.24 O ATOM 523 CB VAL A 37 -14.860 -8.684 2.711 1.00 11.13 C ATOM 524 CG1 VAL A 37 -13.614 -7.813 2.650 1.00 21.55 C ATOM 525 CG2 VAL A 37 -15.697 -8.520 1.451 1.00 35.32 C ATOM 0 H VAL A 37 -13.974 -10.664 0.943 1.00 53.23 H new ATOM 0 HA VAL A 37 -13.956 -10.266 3.867 1.00 44.41 H new ATOM 0 HB VAL A 37 -15.458 -8.360 3.563 1.00 11.13 H new ATOM 0 HG11 VAL A 37 -13.904 -6.772 2.505 1.00 21.55 H new ATOM 0 HG12 VAL A 37 -13.058 -7.908 3.583 1.00 21.55 H new ATOM 0 HG13 VAL A 37 -12.986 -8.134 1.819 1.00 21.55 H new ATOM 0 HG21 VAL A 37 -15.957 -7.470 1.321 1.00 35.32 H new ATOM 0 HG22 VAL A 37 -15.126 -8.861 0.588 1.00 35.32 H new ATOM 0 HG23 VAL A 37 -16.608 -9.111 1.540 1.00 35.32 H new TER 535 VAL A 37