USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 260 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 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= 0 USER MOD Single : A 10 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.38) USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= -0.0151 (180deg=-0.33) USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= -0.0388 (180deg=-0.324) USER MOD Single : A 18 GLN : amide:sc= -0.598 K(o=-0.6,f=-1.8) USER MOD Single : A 19 THR OG1 : rot 6:sc= 0.789 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 41:sc= 0.964 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 X(o=0,f=0.069) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= -0.0548 (180deg=-0.367) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.971 USER MOD ----------------------------------------------------------------- ATOM 8 N ASP A 2 0.682 0.560 -3.163 1.00 62.10 N ATOM 9 CA ASP A 2 -0.163 0.116 -4.265 1.00 71.35 C ATOM 10 C ASP A 2 0.675 -0.188 -5.504 1.00 35.32 C ATOM 11 O ASP A 2 1.652 0.504 -5.789 1.00 65.54 O ATOM 12 CB ASP A 2 -1.212 1.180 -4.593 1.00 63.04 C ATOM 13 CG ASP A 2 -2.199 1.387 -3.461 1.00 61.13 C ATOM 14 OD1 ASP A 2 -1.752 1.561 -2.308 1.00 34.22 O ATOM 15 OD2 ASP A 2 -3.418 1.377 -3.728 1.00 0.23 O1- ATOM 0 HA ASP A 2 -0.669 -0.799 -3.956 1.00 71.35 H new ATOM 0 HB2 ASP A 2 -0.712 2.123 -4.813 1.00 63.04 H new ATOM 0 HB3 ASP A 2 -1.752 0.888 -5.494 1.00 63.04 H new ATOM 20 N ILE A 3 0.285 -1.227 -6.235 1.00 65.02 N ATOM 21 CA ILE A 3 1.001 -1.622 -7.442 1.00 62.21 C ATOM 22 C ILE A 3 0.569 -0.780 -8.637 1.00 1.00 C ATOM 23 O ILE A 3 -0.615 -0.713 -8.969 1.00 25.10 O ATOM 24 CB ILE A 3 0.775 -3.111 -7.768 1.00 4.52 C ATOM 25 CG1 ILE A 3 1.216 -3.985 -6.593 1.00 45.41 C ATOM 26 CG2 ILE A 3 1.527 -3.495 -9.034 1.00 31.14 C ATOM 27 CD1 ILE A 3 0.130 -4.210 -5.565 1.00 33.10 C ATOM 0 H ILE A 3 -0.522 -1.810 -6.013 1.00 65.02 H new ATOM 0 HA ILE A 3 2.061 -1.457 -7.249 1.00 62.21 H new ATOM 0 HB ILE A 3 -0.289 -3.274 -7.937 1.00 4.52 H new ATOM 0 HG12 ILE A 3 1.550 -4.950 -6.974 1.00 45.41 H new ATOM 0 HG13 ILE A 3 2.074 -3.520 -6.107 1.00 45.41 H new ATOM 0 HG21 ILE A 3 1.358 -4.550 -9.252 1.00 31.14 H new ATOM 0 HG22 ILE A 3 1.169 -2.890 -9.867 1.00 31.14 H new ATOM 0 HG23 ILE A 3 2.593 -3.320 -8.891 1.00 31.14 H new ATOM 0 HD11 ILE A 3 0.514 -4.838 -4.761 1.00 33.10 H new ATOM 0 HD12 ILE A 3 -0.188 -3.251 -5.156 1.00 33.10 H new ATOM 0 HD13 ILE A 3 -0.720 -4.703 -6.036 1.00 33.10 H new ATOM 39 N LYS A 4 1.536 -0.138 -9.282 1.00 42.23 N ATOM 40 CA LYS A 4 1.259 0.698 -10.445 1.00 60.33 C ATOM 41 C LYS A 4 0.859 -0.153 -11.645 1.00 34.13 C ATOM 42 O LYS A 4 1.453 -1.202 -11.901 1.00 0.02 O ATOM 43 CB LYS A 4 2.484 1.546 -10.793 1.00 0.52 C ATOM 44 CG LYS A 4 2.279 2.445 -12.000 1.00 53.23 C ATOM 45 CD LYS A 4 3.587 3.060 -12.466 1.00 21.10 C ATOM 46 CE LYS A 4 3.947 4.292 -11.647 1.00 14.23 C ATOM 47 NZ LYS A 4 5.376 4.673 -11.818 1.00 54.30 N1+ ATOM 0 H LYS A 4 2.521 -0.180 -9.019 1.00 42.23 H new ATOM 0 HA LYS A 4 0.427 1.357 -10.197 1.00 60.33 H new ATOM 0 HB2 LYS A 4 2.746 2.162 -9.932 1.00 0.52 H new ATOM 0 HB3 LYS A 4 3.331 0.886 -10.982 1.00 0.52 H new ATOM 0 HG2 LYS A 4 1.837 1.869 -12.813 1.00 53.23 H new ATOM 0 HG3 LYS A 4 1.573 3.237 -11.749 1.00 53.23 H new ATOM 0 HD2 LYS A 4 4.386 2.323 -12.386 1.00 21.10 H new ATOM 0 HD3 LYS A 4 3.508 3.332 -13.519 1.00 21.10 H new ATOM 0 HE2 LYS A 4 3.311 5.125 -11.945 1.00 14.23 H new ATOM 0 HE3 LYS A 4 3.746 4.099 -10.593 1.00 14.23 H new ATOM 0 HZ1 LYS A 4 5.582 5.516 -11.245 1.00 54.30 H new ATOM 0 HZ2 LYS A 4 5.984 3.888 -11.509 1.00 54.30 H new ATOM 0 HZ3 LYS A 4 5.562 4.882 -12.820 1.00 54.30 H new ATOM 61 N CYS A 5 -0.150 0.303 -12.378 1.00 10.41 N ATOM 62 CA CYS A 5 -0.630 -0.416 -13.553 1.00 21.11 C ATOM 63 C CYS A 5 -1.562 0.461 -14.385 1.00 1.33 C ATOM 64 O CYS A 5 -1.747 1.642 -14.090 1.00 73.11 O ATOM 65 CB CYS A 5 -1.355 -1.695 -13.133 1.00 60.55 C ATOM 66 SG CYS A 5 -2.726 -1.422 -11.965 1.00 4.21 S ATOM 0 H CYS A 5 -0.652 1.168 -12.179 1.00 10.41 H new ATOM 0 HA CYS A 5 0.233 -0.680 -14.164 1.00 21.11 H new ATOM 0 HB2 CYS A 5 -1.743 -2.189 -14.024 1.00 60.55 H new ATOM 0 HB3 CYS A 5 -0.635 -2.376 -12.679 1.00 60.55 H new ATOM 71 N SER A 6 -2.145 -0.125 -15.425 1.00 42.24 N ATOM 72 CA SER A 6 -3.055 0.603 -16.301 1.00 61.44 C ATOM 73 C SER A 6 -4.385 -0.132 -16.434 1.00 32.03 C ATOM 74 O SER A 6 -5.452 0.452 -16.247 1.00 63.32 O ATOM 75 CB SER A 6 -2.424 0.792 -17.682 1.00 50.22 C ATOM 76 OG SER A 6 -1.134 1.369 -17.579 1.00 20.54 O ATOM 0 H SER A 6 -2.004 -1.102 -15.682 1.00 42.24 H new ATOM 0 HA SER A 6 -3.243 1.581 -15.858 1.00 61.44 H new ATOM 0 HB2 SER A 6 -2.356 -0.171 -18.189 1.00 50.22 H new ATOM 0 HB3 SER A 6 -3.063 1.429 -18.293 1.00 50.22 H new ATOM 0 HG SER A 6 -0.752 1.478 -18.475 1.00 20.54 H new ATOM 82 N GLY A 7 -4.313 -1.420 -16.760 1.00 64.14 N ATOM 83 CA GLY A 7 -5.517 -2.215 -16.913 1.00 33.31 C ATOM 84 C GLY A 7 -5.894 -2.949 -15.641 1.00 44.41 C ATOM 85 O GLY A 7 -5.243 -2.790 -14.608 1.00 64.33 O ATOM 0 H GLY A 7 -3.442 -1.926 -16.921 1.00 64.14 H new ATOM 0 HA2 GLY A 7 -6.341 -1.567 -17.212 1.00 33.31 H new ATOM 0 HA3 GLY A 7 -5.372 -2.938 -17.716 1.00 33.31 H new ATOM 89 N THR A 8 -6.950 -3.754 -15.714 1.00 13.31 N ATOM 90 CA THR A 8 -7.414 -4.512 -14.559 1.00 70.34 C ATOM 91 C THR A 8 -6.560 -5.756 -14.340 1.00 24.33 C ATOM 92 O THR A 8 -6.012 -5.962 -13.257 1.00 53.31 O ATOM 93 CB THR A 8 -8.885 -4.935 -14.718 1.00 51.14 C ATOM 94 OG1 THR A 8 -9.603 -3.939 -15.458 1.00 73.14 O ATOM 95 CG2 THR A 8 -9.541 -5.136 -13.361 1.00 22.01 C ATOM 0 H THR A 8 -7.500 -3.897 -16.561 1.00 13.31 H new ATOM 0 HA THR A 8 -7.325 -3.855 -13.694 1.00 70.34 H new ATOM 0 HB THR A 8 -8.912 -5.881 -15.259 1.00 51.14 H new ATOM 0 HG1 THR A 8 -10.538 -4.216 -15.557 1.00 73.14 H new ATOM 0 HG21 THR A 8 -10.580 -5.435 -13.500 1.00 22.01 H new ATOM 0 HG22 THR A 8 -9.010 -5.914 -12.812 1.00 22.01 H new ATOM 0 HG23 THR A 8 -9.504 -4.204 -12.797 1.00 22.01 H new ATOM 103 N ARG A 9 -6.452 -6.583 -15.374 1.00 63.03 N ATOM 104 CA ARG A 9 -5.666 -7.809 -15.294 1.00 35.22 C ATOM 105 C ARG A 9 -4.258 -7.518 -14.779 1.00 62.21 C ATOM 106 O ARG A 9 -3.728 -8.256 -13.949 1.00 12.24 O ATOM 107 CB ARG A 9 -5.589 -8.482 -16.666 1.00 50.11 C ATOM 108 CG ARG A 9 -4.706 -9.718 -16.689 1.00 54.31 C ATOM 109 CD ARG A 9 -4.624 -10.318 -18.084 1.00 31.23 C ATOM 110 NE ARG A 9 -3.607 -11.363 -18.171 1.00 53.25 N ATOM 111 CZ ARG A 9 -3.531 -12.233 -19.173 1.00 74.41 C ATOM 112 NH1 ARG A 9 -4.407 -12.182 -20.166 1.00 43.15 N1+ ATOM 113 NH2 ARG A 9 -2.576 -13.154 -19.181 1.00 42.11 N ATOM 0 H ARG A 9 -6.899 -6.427 -16.278 1.00 63.03 H new ATOM 0 HA ARG A 9 -6.160 -8.483 -14.594 1.00 35.22 H new ATOM 0 HB2 ARG A 9 -6.595 -8.758 -16.983 1.00 50.11 H new ATOM 0 HB3 ARG A 9 -5.212 -7.763 -17.393 1.00 50.11 H new ATOM 0 HG2 ARG A 9 -3.705 -9.458 -16.344 1.00 54.31 H new ATOM 0 HG3 ARG A 9 -5.099 -10.461 -15.995 1.00 54.31 H new ATOM 0 HD2 ARG A 9 -5.594 -10.733 -18.358 1.00 31.23 H new ATOM 0 HD3 ARG A 9 -4.398 -9.532 -18.804 1.00 31.23 H new ATOM 0 HE ARG A 9 -2.918 -11.429 -17.422 1.00 53.25 H new ATOM 0 HH11 ARG A 9 -5.141 -11.474 -20.162 1.00 43.15 H new ATOM 0 HH12 ARG A 9 -4.347 -12.851 -20.934 1.00 43.15 H new ATOM 0 HH21 ARG A 9 -1.900 -13.194 -18.418 1.00 42.11 H new ATOM 0 HH22 ARG A 9 -2.518 -13.822 -19.950 1.00 42.11 H new ATOM 127 N GLN A 10 -3.662 -6.441 -15.278 1.00 2.21 N ATOM 128 CA GLN A 10 -2.316 -6.055 -14.869 1.00 65.23 C ATOM 129 C GLN A 10 -2.208 -5.989 -13.348 1.00 0.55 C ATOM 130 O GLN A 10 -1.141 -6.226 -12.781 1.00 51.15 O ATOM 131 CB GLN A 10 -1.943 -4.703 -15.478 1.00 4.11 C ATOM 132 CG GLN A 10 -1.364 -4.807 -16.880 1.00 74.01 C ATOM 133 CD GLN A 10 -2.194 -5.692 -17.790 1.00 42.22 C ATOM 134 OE1 GLN A 10 -1.825 -6.832 -18.071 1.00 13.10 O ATOM 135 NE2 GLN A 10 -3.322 -5.169 -18.256 1.00 2.11 N ATOM 0 H GLN A 10 -4.089 -5.820 -15.966 1.00 2.21 H new ATOM 0 HA GLN A 10 -1.621 -6.812 -15.232 1.00 65.23 H new ATOM 0 HB2 GLN A 10 -2.829 -4.069 -15.506 1.00 4.11 H new ATOM 0 HB3 GLN A 10 -1.219 -4.209 -14.830 1.00 4.11 H new ATOM 0 HG2 GLN A 10 -1.293 -3.810 -17.315 1.00 74.01 H new ATOM 0 HG3 GLN A 10 -0.350 -5.202 -16.822 1.00 74.01 H new ATOM 0 HE21 GLN A 10 -3.589 -4.219 -17.997 1.00 2.11 H new ATOM 0 HE22 GLN A 10 -3.921 -5.717 -18.873 1.00 2.11 H new ATOM 144 N CYS A 11 -3.319 -5.664 -12.695 1.00 12.13 N ATOM 145 CA CYS A 11 -3.349 -5.564 -11.241 1.00 65.14 C ATOM 146 C CYS A 11 -3.546 -6.937 -10.606 1.00 41.34 C ATOM 147 O CYS A 11 -2.946 -7.249 -9.577 1.00 2.11 O ATOM 148 CB CYS A 11 -4.467 -4.619 -10.797 1.00 10.03 C ATOM 149 SG CYS A 11 -4.681 -4.517 -8.991 1.00 1.12 S ATOM 0 H CYS A 11 -4.210 -5.465 -13.150 1.00 12.13 H new ATOM 0 HA CYS A 11 -2.391 -5.164 -10.909 1.00 65.14 H new ATOM 0 HB2 CYS A 11 -4.260 -3.621 -11.185 1.00 10.03 H new ATOM 0 HB3 CYS A 11 -5.405 -4.947 -11.245 1.00 10.03 H new ATOM 154 N TRP A 12 -4.390 -7.754 -11.227 1.00 72.32 N ATOM 155 CA TRP A 12 -4.666 -9.094 -10.722 1.00 3.31 C ATOM 156 C TRP A 12 -3.375 -9.884 -10.536 1.00 33.15 C ATOM 157 O TRP A 12 -3.221 -10.621 -9.565 1.00 61.15 O ATOM 158 CB TRP A 12 -5.599 -9.839 -11.679 1.00 71.44 C ATOM 159 CG TRP A 12 -6.939 -9.183 -11.831 1.00 61.14 C ATOM 160 CD1 TRP A 12 -7.395 -8.085 -11.159 1.00 73.05 C ATOM 161 CD2 TRP A 12 -7.994 -9.585 -12.711 1.00 41.42 C ATOM 162 NE1 TRP A 12 -8.671 -7.781 -11.568 1.00 4.11 N ATOM 163 CE2 TRP A 12 -9.061 -8.686 -12.520 1.00 35.24 C ATOM 164 CE3 TRP A 12 -8.141 -10.615 -13.644 1.00 40.33 C ATOM 165 CZ2 TRP A 12 -10.257 -8.788 -13.226 1.00 42.32 C ATOM 166 CZ3 TRP A 12 -9.328 -10.717 -14.344 1.00 31.34 C ATOM 167 CH2 TRP A 12 -10.373 -9.807 -14.132 1.00 44.03 C ATOM 0 H TRP A 12 -4.894 -7.512 -12.080 1.00 72.32 H new ATOM 0 HA TRP A 12 -5.153 -8.996 -9.752 1.00 3.31 H new ATOM 0 HB2 TRP A 12 -5.124 -9.910 -12.657 1.00 71.44 H new ATOM 0 HB3 TRP A 12 -5.740 -10.858 -11.319 1.00 71.44 H new ATOM 0 HD1 TRP A 12 -6.835 -7.537 -10.416 1.00 73.05 H new ATOM 0 HE1 TRP A 12 -9.236 -7.007 -11.219 1.00 4.11 H new ATOM 0 HE3 TRP A 12 -7.340 -11.319 -13.815 1.00 40.33 H new ATOM 0 HZ2 TRP A 12 -11.064 -8.088 -13.064 1.00 42.32 H new ATOM 0 HZ3 TRP A 12 -9.453 -11.510 -15.066 1.00 31.34 H new ATOM 0 HH2 TRP A 12 -11.288 -9.912 -14.695 1.00 44.03 H new ATOM 178 N GLY A 13 -2.447 -9.723 -11.477 1.00 71.22 N ATOM 179 CA GLY A 13 -1.181 -10.426 -11.397 1.00 42.02 C ATOM 180 C GLY A 13 -0.513 -10.267 -10.046 1.00 40.21 C ATOM 181 O GLY A 13 -0.383 -11.218 -9.276 1.00 54.21 O ATOM 0 H GLY A 13 -2.551 -9.118 -12.292 1.00 71.22 H new ATOM 0 HA2 GLY A 13 -1.344 -11.485 -11.596 1.00 42.02 H new ATOM 0 HA3 GLY A 13 -0.513 -10.055 -12.175 1.00 42.02 H new ATOM 185 N PRO A 14 -0.071 -9.036 -9.742 1.00 4.43 N ATOM 186 CA PRO A 14 0.596 -8.727 -8.475 1.00 22.31 C ATOM 187 C PRO A 14 -0.358 -8.784 -7.287 1.00 31.34 C ATOM 188 O PRO A 14 0.055 -9.040 -6.156 1.00 32.04 O ATOM 189 CB PRO A 14 1.106 -7.298 -8.682 1.00 13.02 C ATOM 190 CG PRO A 14 0.195 -6.716 -9.708 1.00 33.44 C ATOM 191 CD PRO A 14 -0.191 -7.854 -10.612 1.00 22.03 C ATOM 0 HA PRO A 14 1.382 -9.446 -8.243 1.00 22.31 H new ATOM 0 HB2 PRO A 14 1.073 -6.727 -7.754 1.00 13.02 H new ATOM 0 HB3 PRO A 14 2.141 -7.293 -9.023 1.00 13.02 H new ATOM 0 HG2 PRO A 14 -0.685 -6.272 -9.242 1.00 33.44 H new ATOM 0 HG3 PRO A 14 0.693 -5.924 -10.268 1.00 33.44 H new ATOM 0 HD2 PRO A 14 -1.205 -7.738 -10.994 1.00 22.03 H new ATOM 0 HD3 PRO A 14 0.469 -7.922 -11.476 1.00 22.03 H new ATOM 199 N CYS A 15 -1.639 -8.545 -7.551 1.00 62.23 N ATOM 200 CA CYS A 15 -2.653 -8.569 -6.504 1.00 3.44 C ATOM 201 C CYS A 15 -2.804 -9.973 -5.927 1.00 30.12 C ATOM 202 O CYS A 15 -3.053 -10.142 -4.732 1.00 73.25 O ATOM 203 CB CYS A 15 -3.997 -8.086 -7.056 1.00 74.34 C ATOM 204 SG CYS A 15 -5.318 -7.979 -5.806 1.00 62.22 S ATOM 0 H CYS A 15 -1.999 -8.333 -8.481 1.00 62.23 H new ATOM 0 HA CYS A 15 -2.333 -7.899 -5.706 1.00 3.44 H new ATOM 0 HB2 CYS A 15 -3.860 -7.104 -7.509 1.00 74.34 H new ATOM 0 HB3 CYS A 15 -4.316 -8.762 -7.849 1.00 74.34 H new ATOM 209 N LYS A 16 -2.654 -10.978 -6.781 1.00 64.42 N ATOM 210 CA LYS A 16 -2.771 -12.369 -6.357 1.00 3.12 C ATOM 211 C LYS A 16 -1.658 -12.736 -5.382 1.00 25.42 C ATOM 212 O LYS A 16 -1.892 -13.425 -4.388 1.00 50.24 O ATOM 213 CB LYS A 16 -2.727 -13.299 -7.572 1.00 71.40 C ATOM 214 CG LYS A 16 -3.675 -14.481 -7.468 1.00 31.03 C ATOM 215 CD LYS A 16 -3.136 -15.548 -6.529 1.00 10.24 C ATOM 216 CE LYS A 16 -1.878 -16.196 -7.086 1.00 12.14 C ATOM 217 NZ LYS A 16 -0.667 -15.815 -6.309 1.00 44.01 N1+ ATOM 0 H LYS A 16 -2.451 -10.856 -7.773 1.00 64.42 H new ATOM 0 HA LYS A 16 -3.728 -12.489 -5.850 1.00 3.12 H new ATOM 0 HB2 LYS A 16 -2.971 -12.726 -8.467 1.00 71.40 H new ATOM 0 HB3 LYS A 16 -1.710 -13.670 -7.699 1.00 71.40 H new ATOM 0 HG2 LYS A 16 -4.647 -14.139 -7.112 1.00 31.03 H new ATOM 0 HG3 LYS A 16 -3.831 -14.911 -8.457 1.00 31.03 H new ATOM 0 HD2 LYS A 16 -2.918 -15.103 -5.558 1.00 10.24 H new ATOM 0 HD3 LYS A 16 -3.898 -16.310 -6.367 1.00 10.24 H new ATOM 0 HE2 LYS A 16 -1.992 -17.280 -7.073 1.00 12.14 H new ATOM 0 HE3 LYS A 16 -1.749 -15.902 -8.128 1.00 12.14 H new ATOM 0 HZ1 LYS A 16 0.083 -16.517 -6.470 1.00 44.01 H new ATOM 0 HZ2 LYS A 16 -0.337 -14.878 -6.618 1.00 44.01 H new ATOM 0 HZ3 LYS A 16 -0.900 -15.783 -5.296 1.00 44.01 H new ATOM 231 N LYS A 17 -0.447 -12.270 -5.669 1.00 20.43 N ATOM 232 CA LYS A 17 0.701 -12.547 -4.816 1.00 52.42 C ATOM 233 C LYS A 17 0.436 -12.099 -3.382 1.00 3.52 C ATOM 234 O LYS A 17 0.607 -12.871 -2.439 1.00 41.22 O ATOM 235 CB LYS A 17 1.947 -11.842 -5.358 1.00 61.20 C ATOM 236 CG LYS A 17 3.246 -12.364 -4.770 1.00 31.15 C ATOM 237 CD LYS A 17 3.541 -13.780 -5.238 1.00 5.45 C ATOM 238 CE LYS A 17 4.879 -14.275 -4.708 1.00 32.53 C ATOM 239 NZ LYS A 17 6.012 -13.444 -5.203 1.00 63.43 N1+ ATOM 0 H LYS A 17 -0.236 -11.698 -6.487 1.00 20.43 H new ATOM 0 HA LYS A 17 0.870 -13.624 -4.816 1.00 52.42 H new ATOM 0 HB2 LYS A 17 1.977 -11.957 -6.442 1.00 61.20 H new ATOM 0 HB3 LYS A 17 1.868 -10.774 -5.153 1.00 61.20 H new ATOM 0 HG2 LYS A 17 4.067 -11.707 -5.057 1.00 31.15 H new ATOM 0 HG3 LYS A 17 3.188 -12.344 -3.682 1.00 31.15 H new ATOM 0 HD2 LYS A 17 2.747 -14.448 -4.904 1.00 5.45 H new ATOM 0 HD3 LYS A 17 3.546 -13.811 -6.328 1.00 5.45 H new ATOM 0 HE2 LYS A 17 4.866 -14.260 -3.618 1.00 32.53 H new ATOM 0 HE3 LYS A 17 5.029 -15.311 -5.011 1.00 32.53 H new ATOM 0 HZ1 LYS A 17 6.908 -13.946 -5.039 1.00 63.43 H new ATOM 0 HZ2 LYS A 17 5.895 -13.269 -6.221 1.00 63.43 H new ATOM 0 HZ3 LYS A 17 6.025 -12.537 -4.695 1.00 63.43 H new ATOM 253 N GLN A 18 0.014 -10.848 -3.227 1.00 3.42 N ATOM 254 CA GLN A 18 -0.276 -10.299 -1.907 1.00 74.11 C ATOM 255 C GLN A 18 -1.570 -10.882 -1.348 1.00 31.40 C ATOM 256 O GLN A 18 -1.634 -11.277 -0.183 1.00 41.21 O ATOM 257 CB GLN A 18 -0.378 -8.774 -1.977 1.00 50.14 C ATOM 258 CG GLN A 18 0.967 -8.071 -1.920 1.00 1.24 C ATOM 259 CD GLN A 18 0.836 -6.573 -1.729 1.00 33.51 C ATOM 260 OE1 GLN A 18 0.846 -5.810 -2.694 1.00 40.45 O ATOM 261 NE2 GLN A 18 0.711 -6.144 -0.478 1.00 65.50 N ATOM 0 H GLN A 18 -0.135 -10.196 -3.998 1.00 3.42 H new ATOM 0 HA GLN A 18 0.542 -10.571 -1.240 1.00 74.11 H new ATOM 0 HB2 GLN A 18 -0.886 -8.494 -2.900 1.00 50.14 H new ATOM 0 HB3 GLN A 18 -0.998 -8.422 -1.153 1.00 50.14 H new ATOM 0 HG2 GLN A 18 1.556 -8.487 -1.103 1.00 1.24 H new ATOM 0 HG3 GLN A 18 1.515 -8.269 -2.841 1.00 1.24 H new ATOM 0 HE21 GLN A 18 0.708 -6.812 0.292 1.00 65.50 H new ATOM 0 HE22 GLN A 18 0.618 -5.146 -0.288 1.00 65.50 H new ATOM 270 N THR A 19 -2.601 -10.934 -2.185 1.00 31.11 N ATOM 271 CA THR A 19 -3.893 -11.467 -1.775 1.00 55.23 C ATOM 272 C THR A 19 -4.491 -12.358 -2.858 1.00 11.43 C ATOM 273 O THR A 19 -4.739 -11.910 -3.979 1.00 51.24 O ATOM 274 CB THR A 19 -4.889 -10.338 -1.448 1.00 50.44 C ATOM 275 OG1 THR A 19 -5.329 -9.708 -2.657 1.00 72.12 O ATOM 276 CG2 THR A 19 -4.252 -9.303 -0.533 1.00 74.11 C ATOM 0 H THR A 19 -2.566 -10.613 -3.152 1.00 31.11 H new ATOM 0 HA THR A 19 -3.718 -12.059 -0.877 1.00 55.23 H new ATOM 0 HB THR A 19 -5.745 -10.775 -0.934 1.00 50.44 H new ATOM 0 HG1 THR A 19 -4.971 -10.195 -3.429 1.00 72.12 H new ATOM 0 HG21 THR A 19 -4.974 -8.516 -0.316 1.00 74.11 H new ATOM 0 HG22 THR A 19 -3.945 -9.780 0.398 1.00 74.11 H new ATOM 0 HG23 THR A 19 -3.380 -8.870 -1.024 1.00 74.11 H new ATOM 284 N THR A 20 -4.721 -13.622 -2.519 1.00 61.13 N ATOM 285 CA THR A 20 -5.288 -14.576 -3.462 1.00 1.13 C ATOM 286 C THR A 20 -6.452 -13.962 -4.232 1.00 5.33 C ATOM 287 O THR A 20 -6.655 -14.257 -5.410 1.00 5.34 O ATOM 288 CB THR A 20 -5.775 -15.851 -2.748 1.00 61.25 C ATOM 289 OG1 THR A 20 -6.554 -15.502 -1.599 1.00 10.11 O ATOM 290 CG2 THR A 20 -4.598 -16.718 -2.326 1.00 3.31 C ATOM 0 H THR A 20 -4.523 -14.009 -1.596 1.00 61.13 H new ATOM 0 HA THR A 20 -4.493 -14.841 -4.160 1.00 1.13 H new ATOM 0 HB THR A 20 -6.392 -16.418 -3.445 1.00 61.25 H new ATOM 0 HG1 THR A 20 -6.861 -16.318 -1.152 1.00 10.11 H new ATOM 0 HG21 THR A 20 -4.967 -17.613 -1.824 1.00 3.31 H new ATOM 0 HG22 THR A 20 -4.024 -17.007 -3.207 1.00 3.31 H new ATOM 0 HG23 THR A 20 -3.959 -16.157 -1.645 1.00 3.31 H new ATOM 298 N CYS A 21 -7.215 -13.107 -3.559 1.00 64.14 N ATOM 299 CA CYS A 21 -8.359 -12.450 -4.179 1.00 5.11 C ATOM 300 C CYS A 21 -7.903 -11.417 -5.206 1.00 40.40 C ATOM 301 O CYS A 21 -7.558 -10.288 -4.856 1.00 21.12 O ATOM 302 CB CYS A 21 -9.226 -11.777 -3.113 1.00 1.52 C ATOM 303 SG CYS A 21 -10.368 -12.911 -2.260 1.00 50.33 S ATOM 0 H CYS A 21 -7.061 -12.853 -2.583 1.00 64.14 H new ATOM 0 HA CYS A 21 -8.949 -13.210 -4.692 1.00 5.11 H new ATOM 0 HB2 CYS A 21 -8.576 -11.309 -2.374 1.00 1.52 H new ATOM 0 HB3 CYS A 21 -9.804 -10.980 -3.580 1.00 1.52 H new ATOM 308 N THR A 22 -7.905 -11.812 -6.475 1.00 14.00 N ATOM 309 CA THR A 22 -7.491 -10.924 -7.553 1.00 51.41 C ATOM 310 C THR A 22 -8.466 -9.763 -7.713 1.00 53.53 C ATOM 311 O THR A 22 -8.110 -8.708 -8.238 1.00 3.31 O ATOM 312 CB THR A 22 -7.382 -11.677 -8.892 1.00 73.14 C ATOM 313 OG1 THR A 22 -8.366 -12.715 -8.951 1.00 3.21 O ATOM 314 CG2 THR A 22 -5.995 -12.275 -9.066 1.00 14.31 C ATOM 0 H THR A 22 -8.189 -12.742 -6.781 1.00 14.00 H new ATOM 0 HA THR A 22 -6.509 -10.536 -7.283 1.00 51.41 H new ATOM 0 HB THR A 22 -7.556 -10.965 -9.699 1.00 73.14 H new ATOM 0 HG1 THR A 22 -8.292 -13.188 -9.806 1.00 3.21 H new ATOM 0 HG21 THR A 22 -5.943 -12.802 -10.019 1.00 14.31 H new ATOM 0 HG22 THR A 22 -5.251 -11.479 -9.050 1.00 14.31 H new ATOM 0 HG23 THR A 22 -5.796 -12.974 -8.254 1.00 14.31 H new ATOM 322 N ASN A 23 -9.698 -9.964 -7.256 1.00 53.41 N ATOM 323 CA ASN A 23 -10.725 -8.933 -7.349 1.00 34.21 C ATOM 324 C ASN A 23 -10.192 -7.589 -6.862 1.00 20.55 C ATOM 325 O ASN A 23 -10.034 -7.370 -5.662 1.00 5.23 O ATOM 326 CB ASN A 23 -11.954 -9.333 -6.531 1.00 61.22 C ATOM 327 CG ASN A 23 -13.227 -8.690 -7.047 1.00 4.53 C ATOM 328 OD1 ASN A 23 -13.782 -9.111 -8.061 1.00 12.23 O ATOM 329 ND2 ASN A 23 -13.695 -7.662 -6.348 1.00 73.14 N ATOM 0 H ASN A 23 -10.009 -10.831 -6.818 1.00 53.41 H new ATOM 0 HA ASN A 23 -11.010 -8.833 -8.396 1.00 34.21 H new ATOM 0 HB2 ASN A 23 -12.064 -10.417 -6.552 1.00 61.22 H new ATOM 0 HB3 ASN A 23 -11.803 -9.048 -5.490 1.00 61.22 H new ATOM 0 HD21 ASN A 23 -14.548 -7.188 -6.646 1.00 73.14 H new ATOM 0 HD22 ASN A 23 -13.202 -7.346 -5.513 1.00 73.14 H new ATOM 336 N SER A 24 -9.918 -6.691 -7.804 1.00 54.05 N ATOM 337 CA SER A 24 -9.401 -5.369 -7.472 1.00 34.31 C ATOM 338 C SER A 24 -9.800 -4.347 -8.533 1.00 44.51 C ATOM 339 O SER A 24 -10.409 -4.692 -9.545 1.00 53.52 O ATOM 340 CB SER A 24 -7.877 -5.414 -7.338 1.00 75.00 C ATOM 341 OG SER A 24 -7.370 -4.179 -6.864 1.00 22.34 O ATOM 0 H SER A 24 -10.046 -6.855 -8.803 1.00 54.05 H new ATOM 0 HA SER A 24 -9.834 -5.065 -6.519 1.00 34.31 H new ATOM 0 HB2 SER A 24 -7.592 -6.214 -6.654 1.00 75.00 H new ATOM 0 HB3 SER A 24 -7.431 -5.647 -8.305 1.00 75.00 H new ATOM 0 HG SER A 24 -7.960 -3.830 -6.163 1.00 22.34 H new ATOM 347 N LYS A 25 -9.451 -3.087 -8.292 1.00 3.11 N ATOM 348 CA LYS A 25 -9.770 -2.014 -9.225 1.00 42.00 C ATOM 349 C LYS A 25 -8.576 -1.083 -9.412 1.00 25.42 C ATOM 350 O LYS A 25 -8.118 -0.445 -8.464 1.00 61.41 O ATOM 351 CB LYS A 25 -10.977 -1.217 -8.724 1.00 42.44 C ATOM 352 CG LYS A 25 -12.310 -1.771 -9.197 1.00 20.30 C ATOM 353 CD LYS A 25 -13.441 -0.786 -8.954 1.00 61.22 C ATOM 354 CE LYS A 25 -13.580 0.198 -10.107 1.00 34.25 C ATOM 355 NZ LYS A 25 -14.626 1.223 -9.836 1.00 70.51 N1+ ATOM 0 H LYS A 25 -8.947 -2.785 -7.458 1.00 3.11 H new ATOM 0 HA LYS A 25 -10.013 -2.464 -10.188 1.00 42.00 H new ATOM 0 HB2 LYS A 25 -10.965 -1.202 -7.634 1.00 42.44 H new ATOM 0 HB3 LYS A 25 -10.883 -0.184 -9.058 1.00 42.44 H new ATOM 0 HG2 LYS A 25 -12.251 -2.004 -10.260 1.00 20.30 H new ATOM 0 HG3 LYS A 25 -12.522 -2.705 -8.677 1.00 20.30 H new ATOM 0 HD2 LYS A 25 -14.377 -1.330 -8.823 1.00 61.22 H new ATOM 0 HD3 LYS A 25 -13.257 -0.240 -8.028 1.00 61.22 H new ATOM 0 HE2 LYS A 25 -12.624 0.692 -10.281 1.00 34.25 H new ATOM 0 HE3 LYS A 25 -13.830 -0.344 -11.019 1.00 34.25 H new ATOM 0 HZ1 LYS A 25 -14.691 1.875 -10.644 1.00 70.51 H new ATOM 0 HZ2 LYS A 25 -15.543 0.754 -9.695 1.00 70.51 H new ATOM 0 HZ3 LYS A 25 -14.375 1.757 -8.980 1.00 70.51 H new ATOM 369 N CYS A 26 -8.076 -1.009 -10.641 1.00 32.25 N ATOM 370 CA CYS A 26 -6.937 -0.156 -10.954 1.00 41.13 C ATOM 371 C CYS A 26 -7.392 1.266 -11.273 1.00 2.13 C ATOM 372 O CYS A 26 -7.870 1.542 -12.373 1.00 2.40 O ATOM 373 CB CYS A 26 -6.153 -0.730 -12.136 1.00 14.14 C ATOM 374 SG CYS A 26 -4.393 -0.257 -12.161 1.00 22.13 S ATOM 0 H CYS A 26 -8.443 -1.531 -11.437 1.00 32.25 H new ATOM 0 HA CYS A 26 -6.289 -0.123 -10.078 1.00 41.13 H new ATOM 0 HB2 CYS A 26 -6.226 -1.817 -12.113 1.00 14.14 H new ATOM 0 HB3 CYS A 26 -6.620 -0.399 -13.063 1.00 14.14 H new ATOM 379 N MET A 27 -7.240 2.161 -10.303 1.00 14.44 N ATOM 380 CA MET A 27 -7.635 3.554 -10.481 1.00 2.23 C ATOM 381 C MET A 27 -6.469 4.491 -10.183 1.00 31.21 C ATOM 382 O MET A 27 -5.707 4.270 -9.243 1.00 4.41 O ATOM 383 CB MET A 27 -8.820 3.891 -9.575 1.00 42.02 C ATOM 384 CG MET A 27 -8.532 3.682 -8.096 1.00 64.14 C ATOM 385 SD MET A 27 -8.006 5.197 -7.271 1.00 13.43 S ATOM 386 CE MET A 27 -9.556 5.754 -6.567 1.00 12.31 C ATOM 0 H MET A 27 -6.847 1.947 -9.386 1.00 14.44 H new ATOM 0 HA MET A 27 -7.932 3.691 -11.521 1.00 2.23 H new ATOM 0 HB2 MET A 27 -9.108 4.930 -9.738 1.00 42.02 H new ATOM 0 HB3 MET A 27 -9.673 3.275 -9.861 1.00 42.02 H new ATOM 0 HG2 MET A 27 -9.427 3.298 -7.606 1.00 64.14 H new ATOM 0 HG3 MET A 27 -7.757 2.924 -7.984 1.00 64.14 H new ATOM 0 HE1 MET A 27 -9.395 6.685 -6.023 1.00 12.31 H new ATOM 0 HE2 MET A 27 -10.279 5.921 -7.365 1.00 12.31 H new ATOM 0 HE3 MET A 27 -9.939 4.996 -5.884 1.00 12.31 H new ATOM 396 N ASN A 28 -6.336 5.539 -10.990 1.00 52.54 N ATOM 397 CA ASN A 28 -5.262 6.509 -10.813 1.00 2.02 C ATOM 398 C ASN A 28 -3.897 5.833 -10.897 1.00 30.13 C ATOM 399 O ASN A 28 -2.962 6.208 -10.193 1.00 54.41 O ATOM 400 CB ASN A 28 -5.408 7.223 -9.467 1.00 14.20 C ATOM 401 CG ASN A 28 -6.425 8.347 -9.515 1.00 24.05 C ATOM 402 OD1 ASN A 28 -7.612 8.135 -9.269 1.00 41.04 O ATOM 403 ND2 ASN A 28 -5.962 9.550 -9.834 1.00 74.35 N ATOM 0 H ASN A 28 -6.959 5.738 -11.773 1.00 52.54 H new ATOM 0 HA ASN A 28 -5.334 7.242 -11.616 1.00 2.02 H new ATOM 0 HB2 ASN A 28 -5.705 6.501 -8.706 1.00 14.20 H new ATOM 0 HB3 ASN A 28 -4.441 7.625 -9.165 1.00 14.20 H new ATOM 0 HD21 ASN A 28 -6.599 10.345 -9.883 1.00 74.35 H new ATOM 0 HD22 ASN A 28 -4.969 9.679 -10.030 1.00 74.35 H new ATOM 410 N GLY A 29 -3.792 4.831 -11.767 1.00 74.33 N ATOM 411 CA GLY A 29 -2.539 4.118 -11.928 1.00 71.42 C ATOM 412 C GLY A 29 -2.093 3.432 -10.651 1.00 42.04 C ATOM 413 O GLY A 29 -0.902 3.206 -10.442 1.00 24.02 O ATOM 0 H GLY A 29 -4.552 4.502 -12.362 1.00 74.33 H new ATOM 0 HA2 GLY A 29 -2.647 3.374 -12.718 1.00 71.42 H new ATOM 0 HA3 GLY A 29 -1.766 4.816 -12.251 1.00 71.42 H new ATOM 417 N LYS A 30 -3.052 3.103 -9.793 1.00 63.53 N ATOM 418 CA LYS A 30 -2.755 2.439 -8.529 1.00 43.44 C ATOM 419 C LYS A 30 -3.601 1.181 -8.362 1.00 71.13 C ATOM 420 O LYS A 30 -4.755 1.135 -8.789 1.00 11.40 O ATOM 421 CB LYS A 30 -3.003 3.393 -7.358 1.00 33.24 C ATOM 422 CG LYS A 30 -2.427 4.782 -7.572 1.00 74.01 C ATOM 423 CD LYS A 30 -2.019 5.426 -6.258 1.00 25.24 C ATOM 424 CE LYS A 30 -0.600 5.041 -5.867 1.00 11.40 C ATOM 425 NZ LYS A 30 0.410 5.649 -6.776 1.00 10.43 N1+ ATOM 0 H LYS A 30 -4.043 3.286 -9.950 1.00 63.53 H new ATOM 0 HA LYS A 30 -1.704 2.149 -8.538 1.00 43.44 H new ATOM 0 HB2 LYS A 30 -4.077 3.476 -7.189 1.00 33.24 H new ATOM 0 HB3 LYS A 30 -2.570 2.965 -6.454 1.00 33.24 H new ATOM 0 HG2 LYS A 30 -1.562 4.720 -8.232 1.00 74.01 H new ATOM 0 HG3 LYS A 30 -3.165 5.410 -8.072 1.00 74.01 H new ATOM 0 HD2 LYS A 30 -2.093 6.510 -6.344 1.00 25.24 H new ATOM 0 HD3 LYS A 30 -2.710 5.121 -5.472 1.00 25.24 H new ATOM 0 HE2 LYS A 30 -0.406 5.361 -4.843 1.00 11.40 H new ATOM 0 HE3 LYS A 30 -0.500 3.956 -5.887 1.00 11.40 H new ATOM 0 HZ1 LYS A 30 1.331 5.688 -6.295 1.00 10.43 H new ATOM 0 HZ2 LYS A 30 0.494 5.072 -7.637 1.00 10.43 H new ATOM 0 HZ3 LYS A 30 0.112 6.612 -7.032 1.00 10.43 H new ATOM 439 N CYS A 31 -3.020 0.162 -7.737 1.00 43.43 N ATOM 440 CA CYS A 31 -3.722 -1.097 -7.512 1.00 4.11 C ATOM 441 C CYS A 31 -4.136 -1.234 -6.050 1.00 40.43 C ATOM 442 O CYS A 31 -3.290 -1.305 -5.158 1.00 21.25 O ATOM 443 CB CYS A 31 -2.835 -2.276 -7.917 1.00 55.25 C ATOM 444 SG CYS A 31 -3.533 -3.907 -7.499 1.00 65.24 S ATOM 0 H CYS A 31 -2.066 0.183 -7.378 1.00 43.43 H new ATOM 0 HA CYS A 31 -4.622 -1.100 -8.127 1.00 4.11 H new ATOM 0 HB2 CYS A 31 -2.659 -2.232 -8.992 1.00 55.25 H new ATOM 0 HB3 CYS A 31 -1.865 -2.172 -7.430 1.00 55.25 H new ATOM 449 N LYS A 32 -5.442 -1.274 -5.812 1.00 74.21 N ATOM 450 CA LYS A 32 -5.971 -1.405 -4.460 1.00 53.14 C ATOM 451 C LYS A 32 -6.684 -2.742 -4.282 1.00 52.43 C ATOM 452 O LYS A 32 -7.853 -2.886 -4.643 1.00 3.45 O ATOM 453 CB LYS A 32 -6.934 -0.257 -4.152 1.00 62.41 C ATOM 454 CG LYS A 32 -7.503 -0.301 -2.745 1.00 24.11 C ATOM 455 CD LYS A 32 -6.603 0.419 -1.755 1.00 63.34 C ATOM 456 CE LYS A 32 -7.067 0.206 -0.323 1.00 71.20 C ATOM 457 NZ LYS A 32 -6.302 1.046 0.639 1.00 24.04 N1+ ATOM 0 H LYS A 32 -6.155 -1.217 -6.539 1.00 74.21 H new ATOM 0 HA LYS A 32 -5.133 -1.364 -3.764 1.00 53.14 H new ATOM 0 HB2 LYS A 32 -6.414 0.690 -4.295 1.00 62.41 H new ATOM 0 HB3 LYS A 32 -7.756 -0.281 -4.868 1.00 62.41 H new ATOM 0 HG2 LYS A 32 -8.492 0.156 -2.738 1.00 24.11 H new ATOM 0 HG3 LYS A 32 -7.629 -1.338 -2.435 1.00 24.11 H new ATOM 0 HD2 LYS A 32 -5.580 0.060 -1.864 1.00 63.34 H new ATOM 0 HD3 LYS A 32 -6.592 1.485 -1.980 1.00 63.34 H new ATOM 0 HE2 LYS A 32 -8.128 0.442 -0.246 1.00 71.20 H new ATOM 0 HE3 LYS A 32 -6.954 -0.845 -0.057 1.00 71.20 H new ATOM 0 HZ1 LYS A 32 -6.648 0.872 1.604 1.00 24.04 H new ATOM 0 HZ2 LYS A 32 -5.292 0.804 0.585 1.00 24.04 H new ATOM 0 HZ3 LYS A 32 -6.430 2.050 0.401 1.00 24.04 H new ATOM 471 N CYS A 33 -5.975 -3.716 -3.722 1.00 32.12 N ATOM 472 CA CYS A 33 -6.540 -5.041 -3.495 1.00 63.03 C ATOM 473 C CYS A 33 -7.726 -4.970 -2.538 1.00 61.42 C ATOM 474 O CYS A 33 -7.658 -4.316 -1.496 1.00 15.41 O ATOM 475 CB CYS A 33 -5.473 -5.984 -2.935 1.00 75.43 C ATOM 476 SG CYS A 33 -4.545 -6.898 -4.207 1.00 63.24 S ATOM 0 H CYS A 33 -5.007 -3.613 -3.417 1.00 32.12 H new ATOM 0 HA CYS A 33 -6.891 -5.428 -4.452 1.00 63.03 H new ATOM 0 HB2 CYS A 33 -4.771 -5.405 -2.335 1.00 75.43 H new ATOM 0 HB3 CYS A 33 -5.951 -6.699 -2.266 1.00 75.43 H new ATOM 481 N TYR A 34 -8.811 -5.645 -2.899 1.00 11.34 N ATOM 482 CA TYR A 34 -10.013 -5.657 -2.073 1.00 13.21 C ATOM 483 C TYR A 34 -9.953 -6.777 -1.040 1.00 65.13 C ATOM 484 O TYR A 34 -10.427 -6.626 0.085 1.00 3.32 O ATOM 485 CB TYR A 34 -11.257 -5.821 -2.949 1.00 53.31 C ATOM 486 CG TYR A 34 -11.599 -4.586 -3.753 1.00 31.41 C ATOM 487 CD1 TYR A 34 -11.959 -4.682 -5.091 1.00 74.15 C ATOM 488 CD2 TYR A 34 -11.561 -3.324 -3.173 1.00 73.21 C ATOM 489 CE1 TYR A 34 -12.272 -3.557 -5.829 1.00 23.02 C ATOM 490 CE2 TYR A 34 -11.874 -2.193 -3.903 1.00 71.21 C ATOM 491 CZ TYR A 34 -12.228 -2.314 -5.231 1.00 70.55 C ATOM 492 OH TYR A 34 -12.539 -1.191 -5.962 1.00 44.45 O ATOM 0 H TYR A 34 -8.883 -6.191 -3.758 1.00 11.34 H new ATOM 0 HA TYR A 34 -10.071 -4.705 -1.546 1.00 13.21 H new ATOM 0 HB2 TYR A 34 -11.103 -6.657 -3.631 1.00 53.31 H new ATOM 0 HB3 TYR A 34 -12.106 -6.078 -2.315 1.00 53.31 H new ATOM 0 HD1 TYR A 34 -11.995 -5.653 -5.563 1.00 74.15 H new ATOM 0 HD2 TYR A 34 -11.282 -3.225 -2.134 1.00 73.21 H new ATOM 0 HE1 TYR A 34 -12.550 -3.650 -6.869 1.00 23.02 H new ATOM 0 HE2 TYR A 34 -11.842 -1.220 -3.436 1.00 71.21 H new ATOM 0 HH TYR A 34 -12.460 -0.398 -5.392 1.00 44.45 H new ATOM 502 N GLY A 35 -9.368 -7.905 -1.432 1.00 60.11 N ATOM 503 CA GLY A 35 -9.255 -9.035 -0.530 1.00 31.44 C ATOM 504 C GLY A 35 -10.555 -9.804 -0.400 1.00 22.31 C ATOM 505 O GLY A 35 -11.560 -9.448 -1.015 1.00 24.14 O ATOM 0 H GLY A 35 -8.970 -8.056 -2.359 1.00 60.11 H new ATOM 0 HA2 GLY A 35 -8.474 -9.705 -0.888 1.00 31.44 H new ATOM 0 HA3 GLY A 35 -8.945 -8.682 0.454 1.00 31.44 H new ATOM 509 N CYS A 36 -10.535 -10.865 0.401 1.00 75.53 N ATOM 510 CA CYS A 36 -11.719 -11.690 0.607 1.00 65.11 C ATOM 511 C CYS A 36 -12.532 -11.184 1.796 1.00 41.33 C ATOM 512 O CYS A 36 -12.065 -11.204 2.935 1.00 10.24 O ATOM 513 CB CYS A 36 -11.318 -13.149 0.833 1.00 42.43 C ATOM 514 SG CYS A 36 -10.239 -13.831 -0.466 1.00 34.34 S ATOM 0 H CYS A 36 -9.711 -11.173 0.918 1.00 75.53 H new ATOM 0 HA CYS A 36 -12.337 -11.626 -0.289 1.00 65.11 H new ATOM 0 HB2 CYS A 36 -10.809 -13.230 1.793 1.00 42.43 H new ATOM 0 HB3 CYS A 36 -12.220 -13.757 0.898 1.00 42.43 H new ATOM 519 N VAL A 37 -13.753 -10.734 1.524 1.00 53.23 N ATOM 520 CA VAL A 37 -14.631 -10.225 2.570 1.00 44.41 C ATOM 521 C VAL A 37 -15.446 -11.349 3.198 1.00 14.31 C ATOM 522 O VAL A 37 -15.837 -11.272 4.363 1.00 1.24 O ATOM 523 CB VAL A 37 -15.593 -9.154 2.023 1.00 11.13 C ATOM 524 CG1 VAL A 37 -14.818 -7.940 1.532 1.00 21.55 C ATOM 525 CG2 VAL A 37 -16.457 -9.730 0.912 1.00 35.32 C ATOM 0 H VAL A 37 -14.156 -10.712 0.587 1.00 53.23 H new ATOM 0 HA VAL A 37 -13.991 -9.775 3.329 1.00 44.41 H new ATOM 0 HB VAL A 37 -16.249 -8.834 2.832 1.00 11.13 H new ATOM 0 HG11 VAL A 37 -15.515 -7.194 1.149 1.00 21.55 H new ATOM 0 HG12 VAL A 37 -14.248 -7.514 2.358 1.00 21.55 H new ATOM 0 HG13 VAL A 37 -14.136 -8.241 0.737 1.00 21.55 H new ATOM 0 HG21 VAL A 37 -17.130 -8.959 0.538 1.00 35.32 H new ATOM 0 HG22 VAL A 37 -15.820 -10.080 0.100 1.00 35.32 H new ATOM 0 HG23 VAL A 37 -17.041 -10.564 1.301 1.00 35.32 H new