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+ 180:sc= 0 (180deg=0) 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=0.000439 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= -0.106 (180deg=-0.509) USER MOD Single : A 17 LYS NZ :NH3+ 155:sc= -0.0983 (180deg=-0.462) USER MOD Single : A 18 GLN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 19 THR OG1 : rot 7:sc= 0.775 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0563 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 39:sc= 0.356 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -130:sc= 0 (180deg=-0.0798) USER MOD Single : A 28 ASN : amide:sc= -0.0977 K(o=-0.098,f=-1.9!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.583 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.524 -0.929 -0.463 1.00 54.50 N ATOM 2 CA GLY A 1 2.588 0.032 -1.548 1.00 52.54 C ATOM 3 C GLY A 1 1.734 -0.374 -2.733 1.00 24.32 C ATOM 4 O GLY A 1 1.812 -1.510 -3.202 1.00 14.00 O ATOM 0 H1 GLY A 1 3.124 -0.606 0.323 1.00 54.50 H new ATOM 0 H2 GLY A 1 1.541 -1.017 -0.134 1.00 54.50 H new ATOM 0 H3 GLY A 1 2.861 -1.854 -0.798 1.00 54.50 H new ATOM 0 HA2 GLY A 1 2.261 1.007 -1.186 1.00 52.54 H new ATOM 0 HA3 GLY A 1 3.623 0.142 -1.871 1.00 52.54 H new ATOM 8 N ASP A 2 0.916 0.554 -3.217 1.00 62.10 N ATOM 9 CA ASP A 2 0.043 0.286 -4.354 1.00 71.35 C ATOM 10 C ASP A 2 0.858 -0.087 -5.588 1.00 35.32 C ATOM 11 O ASP A 2 1.871 0.545 -5.889 1.00 65.54 O ATOM 12 CB ASP A 2 -0.829 1.506 -4.653 1.00 63.04 C ATOM 13 CG ASP A 2 -0.029 2.792 -4.698 1.00 61.13 C ATOM 14 OD1 ASP A 2 0.701 3.003 -5.689 1.00 34.22 O ATOM 15 OD2 ASP A 2 -0.133 3.590 -3.742 1.00 0.23 O1- ATOM 0 H ASP A 2 0.839 1.499 -2.840 1.00 62.10 H new ATOM 0 HA ASP A 2 -0.600 -0.556 -4.097 1.00 71.35 H new ATOM 0 HB2 ASP A 2 -1.334 1.362 -5.608 1.00 63.04 H new ATOM 0 HB3 ASP A 2 -1.604 1.590 -3.891 1.00 63.04 H new ATOM 20 N ILE A 3 0.410 -1.116 -6.298 1.00 65.02 N ATOM 21 CA ILE A 3 1.096 -1.572 -7.500 1.00 62.21 C ATOM 22 C ILE A 3 0.695 -0.740 -8.713 1.00 1.00 C ATOM 23 O ILE A 3 -0.487 -0.622 -9.035 1.00 25.10 O ATOM 24 CB ILE A 3 0.800 -3.056 -7.789 1.00 4.52 C ATOM 25 CG1 ILE A 3 1.215 -3.923 -6.599 1.00 45.41 C ATOM 26 CG2 ILE A 3 1.519 -3.503 -9.053 1.00 31.14 C ATOM 27 CD1 ILE A 3 0.135 -4.065 -5.550 1.00 33.10 C ATOM 0 H ILE A 3 -0.426 -1.650 -6.061 1.00 65.02 H new ATOM 0 HA ILE A 3 2.164 -1.451 -7.317 1.00 62.21 H new ATOM 0 HB ILE A 3 -0.273 -3.174 -7.943 1.00 4.52 H new ATOM 0 HG12 ILE A 3 1.492 -4.913 -6.960 1.00 45.41 H new ATOM 0 HG13 ILE A 3 2.104 -3.492 -6.138 1.00 45.41 H new ATOM 0 HG21 ILE A 3 1.300 -4.554 -9.244 1.00 31.14 H new ATOM 0 HG22 ILE A 3 1.179 -2.902 -9.897 1.00 31.14 H new ATOM 0 HG23 ILE A 3 2.594 -3.374 -8.925 1.00 31.14 H new ATOM 0 HD11 ILE A 3 0.499 -4.692 -4.736 1.00 33.10 H new ATOM 0 HD12 ILE A 3 -0.126 -3.081 -5.161 1.00 33.10 H new ATOM 0 HD13 ILE A 3 -0.747 -4.524 -5.996 1.00 33.10 H new ATOM 39 N LYS A 4 1.688 -0.166 -9.384 1.00 42.23 N ATOM 40 CA LYS A 4 1.440 0.655 -10.564 1.00 60.33 C ATOM 41 C LYS A 4 0.955 -0.202 -11.730 1.00 34.13 C ATOM 42 O LYS A 4 1.499 -1.274 -11.993 1.00 0.02 O ATOM 43 CB LYS A 4 2.712 1.406 -10.965 1.00 0.52 C ATOM 44 CG LYS A 4 2.527 2.318 -12.164 1.00 53.23 C ATOM 45 CD LYS A 4 2.143 3.726 -11.739 1.00 21.10 C ATOM 46 CE LYS A 4 1.716 4.571 -12.930 1.00 14.23 C ATOM 47 NZ LYS A 4 2.859 4.870 -13.836 1.00 54.30 N1+ ATOM 0 H LYS A 4 2.672 -0.254 -9.131 1.00 42.23 H new ATOM 0 HA LYS A 4 0.662 1.377 -10.317 1.00 60.33 H new ATOM 0 HB2 LYS A 4 3.056 1.999 -10.118 1.00 0.52 H new ATOM 0 HB3 LYS A 4 3.496 0.682 -11.187 1.00 0.52 H new ATOM 0 HG2 LYS A 4 3.450 2.351 -12.743 1.00 53.23 H new ATOM 0 HG3 LYS A 4 1.755 1.911 -12.817 1.00 53.23 H new ATOM 0 HD2 LYS A 4 1.330 3.679 -11.014 1.00 21.10 H new ATOM 0 HD3 LYS A 4 2.988 4.200 -11.240 1.00 21.10 H new ATOM 0 HE2 LYS A 4 0.939 4.048 -13.487 1.00 14.23 H new ATOM 0 HE3 LYS A 4 1.280 5.505 -12.575 1.00 14.23 H new ATOM 0 HZ1 LYS A 4 2.527 5.447 -14.635 1.00 54.30 H new ATOM 0 HZ2 LYS A 4 3.590 5.392 -13.312 1.00 54.30 H new ATOM 0 HZ3 LYS A 4 3.259 3.980 -14.195 1.00 54.30 H new ATOM 61 N CYS A 5 -0.071 0.279 -12.423 1.00 10.41 N ATOM 62 CA CYS A 5 -0.630 -0.441 -13.562 1.00 21.11 C ATOM 63 C CYS A 5 -1.603 0.440 -14.339 1.00 1.33 C ATOM 64 O CYS A 5 -1.821 1.600 -13.990 1.00 73.11 O ATOM 65 CB CYS A 5 -1.340 -1.711 -13.089 1.00 60.55 C ATOM 66 SG CYS A 5 -2.687 -1.410 -11.899 1.00 4.21 S ATOM 0 H CYS A 5 -0.533 1.165 -12.216 1.00 10.41 H new ATOM 0 HA CYS A 5 0.191 -0.716 -14.225 1.00 21.11 H new ATOM 0 HB2 CYS A 5 -1.745 -2.232 -13.956 1.00 60.55 H new ATOM 0 HB3 CYS A 5 -0.607 -2.375 -12.631 1.00 60.55 H new ATOM 71 N SER A 6 -2.184 -0.119 -15.396 1.00 42.24 N ATOM 72 CA SER A 6 -3.132 0.617 -16.225 1.00 61.44 C ATOM 73 C SER A 6 -4.460 -0.127 -16.324 1.00 32.03 C ATOM 74 O SER A 6 -5.519 0.430 -16.044 1.00 63.32 O ATOM 75 CB SER A 6 -2.552 0.838 -17.624 1.00 50.22 C ATOM 76 OG SER A 6 -1.536 1.825 -17.604 1.00 20.54 O ATOM 0 H SER A 6 -2.015 -1.078 -15.698 1.00 42.24 H new ATOM 0 HA SER A 6 -3.313 1.584 -15.756 1.00 61.44 H new ATOM 0 HB2 SER A 6 -2.146 -0.099 -18.005 1.00 50.22 H new ATOM 0 HB3 SER A 6 -3.346 1.142 -18.306 1.00 50.22 H new ATOM 0 HG SER A 6 -1.180 1.947 -18.509 1.00 20.54 H new ATOM 82 N GLY A 7 -4.393 -1.393 -16.725 1.00 64.14 N ATOM 83 CA GLY A 7 -5.596 -2.195 -16.854 1.00 33.31 C ATOM 84 C GLY A 7 -5.942 -2.931 -15.575 1.00 44.41 C ATOM 85 O GLY A 7 -5.269 -2.772 -14.557 1.00 64.33 O ATOM 0 H GLY A 7 -3.527 -1.877 -16.963 1.00 64.14 H new ATOM 0 HA2 GLY A 7 -6.429 -1.552 -17.136 1.00 33.31 H new ATOM 0 HA3 GLY A 7 -5.463 -2.916 -17.660 1.00 33.31 H new ATOM 89 N THR A 8 -6.997 -3.738 -15.626 1.00 13.31 N ATOM 90 CA THR A 8 -7.435 -4.500 -14.463 1.00 70.34 C ATOM 91 C THR A 8 -6.571 -5.740 -14.262 1.00 24.33 C ATOM 92 O THR A 8 -6.016 -5.952 -13.183 1.00 53.31 O ATOM 93 CB THR A 8 -8.908 -4.928 -14.594 1.00 51.14 C ATOM 94 OG1 THR A 8 -9.639 -3.952 -15.343 1.00 73.14 O ATOM 95 CG2 THR A 8 -9.544 -5.104 -13.223 1.00 22.01 C ATOM 0 H THR A 8 -7.565 -3.881 -16.461 1.00 13.31 H new ATOM 0 HA THR A 8 -7.332 -3.845 -13.598 1.00 70.34 H new ATOM 0 HB THR A 8 -8.940 -5.883 -15.118 1.00 51.14 H new ATOM 0 HG1 THR A 8 -10.574 -4.234 -15.422 1.00 73.14 H new ATOM 0 HG21 THR A 8 -10.585 -5.406 -13.341 1.00 22.01 H new ATOM 0 HG22 THR A 8 -9.004 -5.870 -12.667 1.00 22.01 H new ATOM 0 HG23 THR A 8 -9.500 -4.161 -12.678 1.00 22.01 H new ATOM 103 N ARG A 9 -6.462 -6.555 -15.305 1.00 63.03 N ATOM 104 CA ARG A 9 -5.667 -7.775 -15.242 1.00 35.22 C ATOM 105 C ARG A 9 -4.258 -7.480 -14.733 1.00 62.21 C ATOM 106 O ARG A 9 -3.719 -8.218 -13.909 1.00 12.24 O ATOM 107 CB ARG A 9 -5.594 -8.435 -16.619 1.00 50.11 C ATOM 108 CG ARG A 9 -5.016 -9.840 -16.593 1.00 54.31 C ATOM 109 CD ARG A 9 -4.861 -10.405 -17.996 1.00 31.23 C ATOM 110 NE ARG A 9 -6.077 -11.070 -18.456 1.00 53.25 N ATOM 111 CZ ARG A 9 -6.193 -11.651 -19.644 1.00 74.41 C ATOM 112 NH1 ARG A 9 -5.171 -11.651 -20.488 1.00 43.15 N1+ ATOM 113 NH2 ARG A 9 -7.333 -12.234 -19.992 1.00 42.11 N ATOM 0 H ARG A 9 -6.914 -6.393 -16.205 1.00 63.03 H new ATOM 0 HA ARG A 9 -6.152 -8.458 -14.545 1.00 35.22 H new ATOM 0 HB2 ARG A 9 -6.595 -8.471 -17.048 1.00 50.11 H new ATOM 0 HB3 ARG A 9 -4.987 -7.814 -17.278 1.00 50.11 H new ATOM 0 HG2 ARG A 9 -4.046 -9.826 -16.096 1.00 54.31 H new ATOM 0 HG3 ARG A 9 -5.665 -10.491 -16.007 1.00 54.31 H new ATOM 0 HD2 ARG A 9 -4.606 -9.600 -18.685 1.00 31.23 H new ATOM 0 HD3 ARG A 9 -4.032 -11.113 -18.012 1.00 31.23 H new ATOM 0 HE ARG A 9 -6.882 -11.089 -17.830 1.00 53.25 H new ATOM 0 HH11 ARG A 9 -4.293 -11.204 -20.225 1.00 43.15 H new ATOM 0 HH12 ARG A 9 -5.263 -12.098 -21.400 1.00 43.15 H new ATOM 0 HH21 ARG A 9 -8.123 -12.236 -19.346 1.00 42.11 H new ATOM 0 HH22 ARG A 9 -7.420 -12.680 -20.905 1.00 42.11 H new ATOM 127 N GLN A 10 -3.670 -6.396 -15.229 1.00 2.21 N ATOM 128 CA GLN A 10 -2.325 -6.005 -14.826 1.00 65.23 C ATOM 129 C GLN A 10 -2.206 -5.953 -13.306 1.00 0.55 C ATOM 130 O GLN A 10 -1.136 -6.200 -12.748 1.00 51.15 O ATOM 131 CB GLN A 10 -1.965 -4.644 -15.424 1.00 4.11 C ATOM 132 CG GLN A 10 -1.444 -4.725 -16.849 1.00 74.01 C ATOM 133 CD GLN A 10 0.052 -4.969 -16.910 1.00 42.22 C ATOM 134 OE1 GLN A 10 0.532 -6.046 -16.554 1.00 13.10 O ATOM 135 NE2 GLN A 10 0.797 -3.968 -17.363 1.00 2.11 N ATOM 0 H GLN A 10 -4.104 -5.773 -15.910 1.00 2.21 H new ATOM 0 HA GLN A 10 -1.628 -6.754 -15.202 1.00 65.23 H new ATOM 0 HB2 GLN A 10 -2.846 -4.003 -15.404 1.00 4.11 H new ATOM 0 HB3 GLN A 10 -1.211 -4.169 -14.797 1.00 4.11 H new ATOM 0 HG2 GLN A 10 -1.961 -5.527 -17.376 1.00 74.01 H new ATOM 0 HG3 GLN A 10 -1.679 -3.797 -17.371 1.00 74.01 H new ATOM 0 HE21 GLN A 10 0.357 -3.093 -17.647 1.00 2.11 H new ATOM 0 HE22 GLN A 10 1.809 -4.074 -17.427 1.00 2.11 H new ATOM 144 N CYS A 11 -3.311 -5.630 -12.642 1.00 12.13 N ATOM 145 CA CYS A 11 -3.331 -5.545 -11.187 1.00 65.14 C ATOM 146 C CYS A 11 -3.533 -6.924 -10.564 1.00 41.34 C ATOM 147 O CYS A 11 -2.934 -7.245 -9.537 1.00 2.11 O ATOM 148 CB CYS A 11 -4.441 -4.598 -10.726 1.00 10.03 C ATOM 149 SG CYS A 11 -4.636 -4.504 -8.917 1.00 1.12 S ATOM 0 H CYS A 11 -4.204 -5.423 -13.089 1.00 12.13 H new ATOM 0 HA CYS A 11 -2.368 -5.154 -10.858 1.00 65.14 H new ATOM 0 HB2 CYS A 11 -4.235 -3.599 -11.111 1.00 10.03 H new ATOM 0 HB3 CYS A 11 -5.385 -4.920 -11.166 1.00 10.03 H new ATOM 154 N TRP A 12 -4.379 -7.732 -11.191 1.00 72.32 N ATOM 155 CA TRP A 12 -4.658 -9.076 -10.698 1.00 3.31 C ATOM 156 C TRP A 12 -3.370 -9.871 -10.523 1.00 33.15 C ATOM 157 O TRP A 12 -3.216 -10.616 -9.556 1.00 61.15 O ATOM 158 CB TRP A 12 -5.597 -9.808 -11.660 1.00 71.44 C ATOM 159 CG TRP A 12 -6.933 -9.145 -11.806 1.00 61.14 C ATOM 160 CD1 TRP A 12 -7.385 -8.052 -11.123 1.00 73.05 C ATOM 161 CD2 TRP A 12 -7.991 -9.533 -12.689 1.00 41.42 C ATOM 162 NE1 TRP A 12 -8.660 -7.738 -11.529 1.00 4.11 N ATOM 163 CE2 TRP A 12 -9.053 -8.631 -12.490 1.00 35.24 C ATOM 164 CE3 TRP A 12 -8.143 -10.555 -13.631 1.00 40.33 C ATOM 165 CZ2 TRP A 12 -10.249 -8.721 -13.196 1.00 42.32 C ATOM 166 CZ3 TRP A 12 -9.331 -10.643 -14.332 1.00 31.34 C ATOM 167 CH2 TRP A 12 -10.371 -9.732 -14.112 1.00 44.03 C ATOM 0 H TRP A 12 -4.884 -7.481 -12.041 1.00 72.32 H new ATOM 0 HA TRP A 12 -5.141 -8.986 -9.725 1.00 3.31 H new ATOM 0 HB2 TRP A 12 -5.123 -9.874 -12.639 1.00 71.44 H new ATOM 0 HB3 TRP A 12 -5.743 -10.829 -11.307 1.00 71.44 H new ATOM 0 HD1 TRP A 12 -6.823 -7.514 -10.374 1.00 73.05 H new ATOM 0 HE1 TRP A 12 -9.222 -6.965 -11.172 1.00 4.11 H new ATOM 0 HE3 TRP A 12 -7.347 -11.263 -13.808 1.00 40.33 H new ATOM 0 HZ2 TRP A 12 -11.052 -8.019 -13.028 1.00 42.32 H new ATOM 0 HZ3 TRP A 12 -9.459 -11.428 -15.062 1.00 31.34 H new ATOM 0 HH2 TRP A 12 -11.287 -9.828 -14.675 1.00 44.03 H new ATOM 178 N GLY A 13 -2.445 -9.707 -11.463 1.00 71.22 N ATOM 179 CA GLY A 13 -1.181 -10.416 -11.393 1.00 42.02 C ATOM 180 C GLY A 13 -0.507 -10.268 -10.043 1.00 40.21 C ATOM 181 O GLY A 13 -0.377 -11.226 -9.282 1.00 54.21 O ATOM 0 H GLY A 13 -2.548 -9.095 -12.273 1.00 71.22 H new ATOM 0 HA2 GLY A 13 -1.349 -11.473 -11.598 1.00 42.02 H new ATOM 0 HA3 GLY A 13 -0.515 -10.043 -12.171 1.00 42.02 H new ATOM 185 N PRO A 14 -0.062 -9.041 -9.731 1.00 4.43 N ATOM 186 CA PRO A 14 0.609 -8.741 -8.464 1.00 22.31 C ATOM 187 C PRO A 14 -0.341 -8.807 -7.273 1.00 31.34 C ATOM 188 O PRO A 14 0.077 -9.069 -6.145 1.00 32.04 O ATOM 189 CB PRO A 14 1.121 -7.312 -8.662 1.00 13.02 C ATOM 190 CG PRO A 14 0.208 -6.721 -9.681 1.00 33.44 C ATOM 191 CD PRO A 14 -0.183 -7.852 -10.591 1.00 22.03 C ATOM 0 HA PRO A 14 1.395 -9.462 -8.240 1.00 22.31 H new ATOM 0 HB2 PRO A 14 1.092 -6.748 -7.730 1.00 13.02 H new ATOM 0 HB3 PRO A 14 2.155 -7.306 -9.006 1.00 13.02 H new ATOM 0 HG2 PRO A 14 -0.669 -6.278 -9.209 1.00 33.44 H new ATOM 0 HG3 PRO A 14 0.706 -5.927 -10.237 1.00 33.44 H new ATOM 0 HD2 PRO A 14 -1.198 -7.731 -10.968 1.00 22.03 H new ATOM 0 HD3 PRO A 14 0.474 -7.915 -11.458 1.00 22.03 H new ATOM 199 N CYS A 15 -1.622 -8.567 -7.531 1.00 62.23 N ATOM 200 CA CYS A 15 -2.634 -8.598 -6.481 1.00 3.44 C ATOM 201 C CYS A 15 -2.786 -10.007 -5.915 1.00 30.12 C ATOM 202 O CYS A 15 -3.033 -10.186 -4.722 1.00 73.25 O ATOM 203 CB CYS A 15 -3.976 -8.106 -7.024 1.00 74.34 C ATOM 204 SG CYS A 15 -5.297 -8.017 -5.771 1.00 62.22 S ATOM 0 H CYS A 15 -1.985 -8.349 -8.459 1.00 62.23 H new ATOM 0 HA CYS A 15 -2.311 -7.936 -5.678 1.00 3.44 H new ATOM 0 HB2 CYS A 15 -3.838 -7.118 -7.462 1.00 74.34 H new ATOM 0 HB3 CYS A 15 -4.296 -8.769 -7.828 1.00 74.34 H new ATOM 209 N LYS A 16 -2.638 -11.005 -6.780 1.00 64.42 N ATOM 210 CA LYS A 16 -2.758 -12.399 -6.368 1.00 3.12 C ATOM 211 C LYS A 16 -1.643 -12.777 -5.396 1.00 25.42 C ATOM 212 O LYS A 16 -1.878 -13.474 -4.409 1.00 50.24 O ATOM 213 CB LYS A 16 -2.716 -13.318 -7.590 1.00 71.40 C ATOM 214 CG LYS A 16 -3.669 -14.498 -7.498 1.00 31.03 C ATOM 215 CD LYS A 16 -3.136 -15.574 -6.567 1.00 10.24 C ATOM 216 CE LYS A 16 -1.886 -16.230 -7.133 1.00 12.14 C ATOM 217 NZ LYS A 16 -2.104 -16.739 -8.516 1.00 44.01 N1+ ATOM 0 H LYS A 16 -2.435 -10.874 -7.771 1.00 64.42 H new ATOM 0 HA LYS A 16 -3.715 -12.521 -5.861 1.00 3.12 H new ATOM 0 HB2 LYS A 16 -2.956 -12.736 -8.480 1.00 71.40 H new ATOM 0 HB3 LYS A 16 -1.700 -13.692 -7.718 1.00 71.40 H new ATOM 0 HG2 LYS A 16 -4.640 -14.155 -7.141 1.00 31.03 H new ATOM 0 HG3 LYS A 16 -3.825 -14.919 -8.491 1.00 31.03 H new ATOM 0 HD2 LYS A 16 -2.910 -15.136 -5.595 1.00 10.24 H new ATOM 0 HD3 LYS A 16 -3.904 -16.330 -6.406 1.00 10.24 H new ATOM 0 HE2 LYS A 16 -1.068 -15.510 -7.136 1.00 12.14 H new ATOM 0 HE3 LYS A 16 -1.584 -17.054 -6.486 1.00 12.14 H new ATOM 0 HZ1 LYS A 16 -1.364 -17.430 -8.752 1.00 44.01 H new ATOM 0 HZ2 LYS A 16 -3.036 -17.197 -8.575 1.00 44.01 H new ATOM 0 HZ3 LYS A 16 -2.065 -15.946 -9.188 1.00 44.01 H new ATOM 231 N LYS A 17 -0.433 -12.311 -5.682 1.00 20.43 N ATOM 232 CA LYS A 17 0.718 -12.597 -4.833 1.00 52.42 C ATOM 233 C LYS A 17 0.454 -12.160 -3.396 1.00 3.52 C ATOM 234 O LYS A 17 0.625 -12.941 -2.459 1.00 41.22 O ATOM 235 CB LYS A 17 1.963 -11.891 -5.371 1.00 61.20 C ATOM 236 CG LYS A 17 3.263 -12.424 -4.794 1.00 31.15 C ATOM 237 CD LYS A 17 3.715 -13.686 -5.510 1.00 5.45 C ATOM 238 CE LYS A 17 4.545 -14.577 -4.599 1.00 32.53 C ATOM 239 NZ LYS A 17 3.735 -15.136 -3.482 1.00 63.43 N1+ ATOM 0 H LYS A 17 -0.223 -11.733 -6.496 1.00 20.43 H new ATOM 0 HA LYS A 17 0.887 -13.674 -4.843 1.00 52.42 H new ATOM 0 HB2 LYS A 17 1.988 -11.994 -6.456 1.00 61.20 H new ATOM 0 HB3 LYS A 17 1.889 -10.826 -5.153 1.00 61.20 H new ATOM 0 HG2 LYS A 17 4.038 -11.661 -4.875 1.00 31.15 H new ATOM 0 HG3 LYS A 17 3.132 -12.634 -3.732 1.00 31.15 H new ATOM 0 HD2 LYS A 17 2.843 -14.237 -5.864 1.00 5.45 H new ATOM 0 HD3 LYS A 17 4.300 -13.417 -6.389 1.00 5.45 H new ATOM 0 HE2 LYS A 17 4.973 -15.393 -5.181 1.00 32.53 H new ATOM 0 HE3 LYS A 17 5.378 -14.004 -4.192 1.00 32.53 H new ATOM 0 HZ1 LYS A 17 4.167 -16.022 -3.149 1.00 63.43 H new ATOM 0 HZ2 LYS A 17 3.703 -14.451 -2.700 1.00 63.43 H new ATOM 0 HZ3 LYS A 17 2.768 -15.326 -3.815 1.00 63.43 H new ATOM 253 N GLN A 18 0.036 -10.910 -3.229 1.00 3.42 N ATOM 254 CA GLN A 18 -0.252 -10.371 -1.905 1.00 74.11 C ATOM 255 C GLN A 18 -1.545 -10.957 -1.348 1.00 31.40 C ATOM 256 O GLN A 18 -1.608 -11.361 -0.185 1.00 41.21 O ATOM 257 CB GLN A 18 -0.351 -8.846 -1.962 1.00 50.14 C ATOM 258 CG GLN A 18 0.996 -8.145 -1.897 1.00 1.24 C ATOM 259 CD GLN A 18 0.873 -6.677 -1.539 1.00 33.51 C ATOM 260 OE1 GLN A 18 1.566 -6.183 -0.649 1.00 40.45 O ATOM 261 NE2 GLN A 18 -0.012 -5.971 -2.232 1.00 65.50 N ATOM 0 H GLN A 18 -0.111 -10.251 -3.994 1.00 3.42 H new ATOM 0 HA GLN A 18 0.566 -10.649 -1.241 1.00 74.11 H new ATOM 0 HB2 GLN A 18 -0.857 -8.557 -2.883 1.00 50.14 H new ATOM 0 HB3 GLN A 18 -0.972 -8.500 -1.136 1.00 50.14 H new ATOM 0 HG2 GLN A 18 1.625 -8.643 -1.160 1.00 1.24 H new ATOM 0 HG3 GLN A 18 1.497 -8.239 -2.860 1.00 1.24 H new ATOM 0 HE21 GLN A 18 -0.565 -6.421 -2.961 1.00 65.50 H new ATOM 0 HE22 GLN A 18 -0.139 -4.978 -2.035 1.00 65.50 H new ATOM 270 N THR A 19 -2.577 -11.000 -2.184 1.00 31.11 N ATOM 271 CA THR A 19 -3.871 -11.535 -1.775 1.00 55.23 C ATOM 272 C THR A 19 -4.470 -12.416 -2.865 1.00 11.43 C ATOM 273 O THR A 19 -4.719 -11.960 -3.981 1.00 51.24 O ATOM 274 CB THR A 19 -4.863 -10.406 -1.438 1.00 50.44 C ATOM 275 OG1 THR A 19 -5.293 -9.757 -2.640 1.00 72.12 O ATOM 276 CG2 THR A 19 -4.228 -9.388 -0.505 1.00 74.11 C ATOM 0 H THR A 19 -2.543 -10.671 -3.149 1.00 31.11 H new ATOM 0 HA THR A 19 -3.698 -12.135 -0.882 1.00 55.23 H new ATOM 0 HB THR A 19 -5.724 -10.847 -0.936 1.00 50.44 H new ATOM 0 HG1 THR A 19 -4.952 -10.248 -3.417 1.00 72.12 H new ATOM 0 HG21 THR A 19 -4.948 -8.601 -0.282 1.00 74.11 H new ATOM 0 HG22 THR A 19 -3.929 -9.880 0.421 1.00 74.11 H new ATOM 0 HG23 THR A 19 -3.351 -8.953 -0.984 1.00 74.11 H new ATOM 284 N THR A 20 -4.702 -13.683 -2.534 1.00 61.13 N ATOM 285 CA THR A 20 -5.272 -14.629 -3.485 1.00 1.13 C ATOM 286 C THR A 20 -6.433 -14.005 -4.252 1.00 5.33 C ATOM 287 O THR A 20 -6.632 -14.288 -5.434 1.00 5.34 O ATOM 288 CB THR A 20 -5.766 -15.905 -2.779 1.00 61.25 C ATOM 289 OG1 THR A 20 -6.718 -15.567 -1.763 1.00 10.11 O ATOM 290 CG2 THR A 20 -4.604 -16.665 -2.158 1.00 3.31 C ATOM 0 H THR A 20 -4.504 -14.077 -1.614 1.00 61.13 H new ATOM 0 HA THR A 20 -4.478 -14.893 -4.184 1.00 1.13 H new ATOM 0 HB THR A 20 -6.241 -16.544 -3.524 1.00 61.25 H new ATOM 0 HG1 THR A 20 -7.028 -16.384 -1.320 1.00 10.11 H new ATOM 0 HG21 THR A 20 -4.978 -17.562 -1.665 1.00 3.31 H new ATOM 0 HG22 THR A 20 -3.896 -16.947 -2.937 1.00 3.31 H new ATOM 0 HG23 THR A 20 -4.104 -16.031 -1.426 1.00 3.31 H new ATOM 298 N CYS A 21 -7.195 -13.154 -3.574 1.00 64.14 N ATOM 299 CA CYS A 21 -8.336 -12.489 -4.192 1.00 5.11 C ATOM 300 C CYS A 21 -7.873 -11.454 -5.213 1.00 40.40 C ATOM 301 O CYS A 21 -7.531 -10.325 -4.860 1.00 21.12 O ATOM 302 CB CYS A 21 -9.201 -11.817 -3.124 1.00 1.52 C ATOM 303 SG CYS A 21 -10.279 -12.965 -2.210 1.00 50.33 S ATOM 0 H CYS A 21 -7.043 -12.908 -2.596 1.00 64.14 H new ATOM 0 HA CYS A 21 -8.930 -13.243 -4.708 1.00 5.11 H new ATOM 0 HB2 CYS A 21 -8.551 -11.304 -2.415 1.00 1.52 H new ATOM 0 HB3 CYS A 21 -9.819 -11.055 -3.599 1.00 1.52 H new ATOM 308 N THR A 22 -7.867 -11.846 -6.484 1.00 14.00 N ATOM 309 CA THR A 22 -7.447 -10.954 -7.557 1.00 51.41 C ATOM 310 C THR A 22 -8.423 -9.794 -7.721 1.00 53.53 C ATOM 311 O THR A 22 -8.059 -8.733 -8.227 1.00 3.31 O ATOM 312 CB THR A 22 -7.330 -11.704 -8.898 1.00 73.14 C ATOM 313 OG1 THR A 22 -8.287 -12.766 -8.950 1.00 3.21 O ATOM 314 CG2 THR A 22 -5.929 -12.268 -9.081 1.00 14.31 C ATOM 0 H THR A 22 -8.149 -12.776 -6.795 1.00 14.00 H new ATOM 0 HA THR A 22 -6.467 -10.565 -7.279 1.00 51.41 H new ATOM 0 HB THR A 22 -7.529 -10.997 -9.703 1.00 73.14 H new ATOM 0 HG1 THR A 22 -8.207 -13.237 -9.806 1.00 3.21 H new ATOM 0 HG21 THR A 22 -5.870 -12.793 -10.034 1.00 14.31 H new ATOM 0 HG22 THR A 22 -5.205 -11.454 -9.070 1.00 14.31 H new ATOM 0 HG23 THR A 22 -5.707 -12.962 -8.270 1.00 14.31 H new ATOM 322 N ASN A 23 -9.661 -10.003 -7.290 1.00 53.41 N ATOM 323 CA ASN A 23 -10.689 -8.973 -7.389 1.00 34.21 C ATOM 324 C ASN A 23 -10.170 -7.635 -6.873 1.00 20.55 C ATOM 325 O ASN A 23 -10.039 -7.432 -5.665 1.00 5.23 O ATOM 326 CB ASN A 23 -11.934 -9.388 -6.601 1.00 61.22 C ATOM 327 CG ASN A 23 -13.200 -8.757 -7.146 1.00 4.53 C ATOM 328 OD1 ASN A 23 -13.761 -9.221 -8.140 1.00 12.23 O ATOM 329 ND2 ASN A 23 -13.658 -7.693 -6.497 1.00 73.14 N ATOM 0 H ASN A 23 -9.978 -10.876 -6.869 1.00 53.41 H new ATOM 0 HA ASN A 23 -10.954 -8.859 -8.440 1.00 34.21 H new ATOM 0 HB2 ASN A 23 -12.032 -10.473 -6.627 1.00 61.22 H new ATOM 0 HB3 ASN A 23 -11.811 -9.104 -5.556 1.00 61.22 H new ATOM 0 HD21 ASN A 23 -14.506 -7.226 -6.817 1.00 73.14 H new ATOM 0 HD22 ASN A 23 -13.161 -7.342 -5.678 1.00 73.14 H new ATOM 336 N SER A 24 -9.876 -6.724 -7.796 1.00 54.05 N ATOM 337 CA SER A 24 -9.368 -5.406 -7.435 1.00 34.31 C ATOM 338 C SER A 24 -9.762 -4.368 -8.480 1.00 44.51 C ATOM 339 O SER A 24 -10.345 -4.698 -9.513 1.00 53.52 O ATOM 340 CB SER A 24 -7.846 -5.445 -7.286 1.00 75.00 C ATOM 341 OG SER A 24 -7.348 -4.208 -6.808 1.00 22.34 O ATOM 0 H SER A 24 -9.981 -6.875 -8.799 1.00 54.05 H new ATOM 0 HA SER A 24 -9.811 -5.122 -6.481 1.00 34.31 H new ATOM 0 HB2 SER A 24 -7.565 -6.243 -6.599 1.00 75.00 H new ATOM 0 HB3 SER A 24 -7.389 -5.677 -8.248 1.00 75.00 H new ATOM 0 HG SER A 24 -7.959 -3.849 -6.131 1.00 22.34 H new ATOM 347 N LYS A 25 -9.439 -3.108 -8.205 1.00 3.11 N ATOM 348 CA LYS A 25 -9.757 -2.018 -9.120 1.00 42.00 C ATOM 349 C LYS A 25 -8.557 -1.098 -9.307 1.00 25.42 C ATOM 350 O LYS A 25 -8.082 -0.477 -8.355 1.00 61.41 O ATOM 351 CB LYS A 25 -10.951 -1.217 -8.596 1.00 42.44 C ATOM 352 CG LYS A 25 -12.289 -1.703 -9.126 1.00 20.30 C ATOM 353 CD LYS A 25 -12.833 -2.853 -8.296 1.00 61.22 C ATOM 354 CE LYS A 25 -13.639 -3.822 -9.147 1.00 34.25 C ATOM 355 NZ LYS A 25 -14.121 -4.988 -8.355 1.00 70.51 N1+ ATOM 0 H LYS A 25 -8.957 -2.817 -7.355 1.00 3.11 H new ATOM 0 HA LYS A 25 -10.014 -2.451 -10.087 1.00 42.00 H new ATOM 0 HB2 LYS A 25 -10.961 -1.266 -7.507 1.00 42.44 H new ATOM 0 HB3 LYS A 25 -10.822 -0.169 -8.866 1.00 42.44 H new ATOM 0 HG2 LYS A 25 -13.004 -0.880 -9.122 1.00 20.30 H new ATOM 0 HG3 LYS A 25 -12.177 -2.022 -10.162 1.00 20.30 H new ATOM 0 HD2 LYS A 25 -12.007 -3.384 -7.822 1.00 61.22 H new ATOM 0 HD3 LYS A 25 -13.461 -2.461 -7.496 1.00 61.22 H new ATOM 0 HE2 LYS A 25 -14.492 -3.301 -9.582 1.00 34.25 H new ATOM 0 HE3 LYS A 25 -13.025 -4.175 -9.976 1.00 34.25 H new ATOM 0 HZ1 LYS A 25 -14.666 -5.625 -8.971 1.00 70.51 H new ATOM 0 HZ2 LYS A 25 -13.306 -5.501 -7.961 1.00 70.51 H new ATOM 0 HZ3 LYS A 25 -14.728 -4.654 -7.579 1.00 70.51 H new ATOM 369 N CYS A 26 -8.068 -1.012 -10.540 1.00 32.25 N ATOM 370 CA CYS A 26 -6.923 -0.167 -10.853 1.00 41.13 C ATOM 371 C CYS A 26 -7.373 1.246 -11.215 1.00 2.13 C ATOM 372 O CYS A 26 -7.825 1.498 -12.331 1.00 2.40 O ATOM 373 CB CYS A 26 -6.119 -0.768 -12.007 1.00 14.14 C ATOM 374 SG CYS A 26 -4.354 -0.315 -11.999 1.00 22.13 S ATOM 0 H CYS A 26 -8.448 -1.519 -11.339 1.00 32.25 H new ATOM 0 HA CYS A 26 -6.290 -0.113 -9.967 1.00 41.13 H new ATOM 0 HB2 CYS A 26 -6.205 -1.854 -11.968 1.00 14.14 H new ATOM 0 HB3 CYS A 26 -6.561 -0.447 -12.950 1.00 14.14 H new ATOM 379 N MET A 27 -7.245 2.164 -10.262 1.00 14.44 N ATOM 380 CA MET A 27 -7.636 3.552 -10.480 1.00 2.23 C ATOM 381 C MET A 27 -6.478 4.498 -10.182 1.00 31.21 C ATOM 382 O MET A 27 -5.735 4.300 -9.221 1.00 4.41 O ATOM 383 CB MET A 27 -8.840 3.908 -9.606 1.00 42.02 C ATOM 384 CG MET A 27 -8.595 3.695 -8.121 1.00 64.14 C ATOM 385 SD MET A 27 -9.926 4.352 -7.096 1.00 13.43 S ATOM 386 CE MET A 27 -9.561 6.106 -7.150 1.00 12.31 C ATOM 0 H MET A 27 -6.874 1.972 -9.332 1.00 14.44 H new ATOM 0 HA MET A 27 -7.911 3.665 -11.529 1.00 2.23 H new ATOM 0 HB2 MET A 27 -9.107 4.951 -9.776 1.00 42.02 H new ATOM 0 HB3 MET A 27 -9.694 3.306 -9.915 1.00 42.02 H new ATOM 0 HG2 MET A 27 -8.483 2.629 -7.924 1.00 64.14 H new ATOM 0 HG3 MET A 27 -7.656 4.171 -7.840 1.00 64.14 H new ATOM 0 HE1 MET A 27 -9.554 6.508 -6.137 1.00 12.31 H new ATOM 0 HE2 MET A 27 -8.584 6.260 -7.608 1.00 12.31 H new ATOM 0 HE3 MET A 27 -10.322 6.618 -7.738 1.00 12.31 H new ATOM 396 N ASN A 28 -6.329 5.525 -11.011 1.00 52.54 N ATOM 397 CA ASN A 28 -5.260 6.501 -10.836 1.00 2.02 C ATOM 398 C ASN A 28 -3.892 5.833 -10.933 1.00 30.13 C ATOM 399 O ASN A 28 -2.952 6.210 -10.234 1.00 54.41 O ATOM 400 CB ASN A 28 -5.399 7.204 -9.484 1.00 14.20 C ATOM 401 CG ASN A 28 -4.853 8.619 -9.509 1.00 24.05 C ATOM 402 OD1 ASN A 28 -4.364 9.089 -10.536 1.00 41.04 O ATOM 403 ND2 ASN A 28 -4.934 9.304 -8.374 1.00 74.35 N ATOM 0 H ASN A 28 -6.935 5.703 -11.811 1.00 52.54 H new ATOM 0 HA ASN A 28 -5.343 7.239 -11.634 1.00 2.02 H new ATOM 0 HB2 ASN A 28 -6.450 7.228 -9.197 1.00 14.20 H new ATOM 0 HB3 ASN A 28 -4.873 6.628 -8.722 1.00 14.20 H new ATOM 0 HD21 ASN A 28 -4.583 10.261 -8.329 1.00 74.35 H new ATOM 0 HD22 ASN A 28 -5.348 8.874 -7.547 1.00 74.35 H new ATOM 410 N GLY A 29 -3.787 4.836 -11.807 1.00 74.33 N ATOM 411 CA GLY A 29 -2.531 4.130 -11.982 1.00 71.42 C ATOM 412 C GLY A 29 -2.070 3.444 -10.713 1.00 42.04 C ATOM 413 O GLY A 29 -0.875 3.222 -10.515 1.00 24.02 O ATOM 0 H GLY A 29 -4.550 4.505 -12.397 1.00 74.33 H new ATOM 0 HA2 GLY A 29 -2.642 3.388 -12.773 1.00 71.42 H new ATOM 0 HA3 GLY A 29 -1.765 4.833 -12.310 1.00 71.42 H new ATOM 417 N LYS A 30 -3.020 3.107 -9.846 1.00 63.53 N ATOM 418 CA LYS A 30 -2.707 2.441 -8.587 1.00 43.44 C ATOM 419 C LYS A 30 -3.543 1.177 -8.416 1.00 71.13 C ATOM 420 O LYS A 30 -4.675 1.101 -8.894 1.00 11.40 O ATOM 421 CB LYS A 30 -2.950 3.389 -7.411 1.00 33.24 C ATOM 422 CG LYS A 30 -2.385 4.783 -7.626 1.00 74.01 C ATOM 423 CD LYS A 30 -1.966 5.423 -6.313 1.00 25.24 C ATOM 424 CE LYS A 30 -1.706 6.913 -6.476 1.00 11.40 C ATOM 425 NZ LYS A 30 -1.883 7.650 -5.195 1.00 10.43 N1+ ATOM 0 H LYS A 30 -4.014 3.285 -9.993 1.00 63.53 H new ATOM 0 HA LYS A 30 -1.654 2.158 -8.607 1.00 43.44 H new ATOM 0 HB2 LYS A 30 -4.023 3.465 -7.232 1.00 33.24 H new ATOM 0 HB3 LYS A 30 -2.506 2.961 -6.512 1.00 33.24 H new ATOM 0 HG2 LYS A 30 -1.527 4.730 -8.296 1.00 74.01 H new ATOM 0 HG3 LYS A 30 -3.132 5.408 -8.115 1.00 74.01 H new ATOM 0 HD2 LYS A 30 -2.745 5.268 -5.567 1.00 25.24 H new ATOM 0 HD3 LYS A 30 -1.066 4.934 -5.940 1.00 25.24 H new ATOM 0 HE2 LYS A 30 -0.692 7.066 -6.846 1.00 11.40 H new ATOM 0 HE3 LYS A 30 -2.384 7.320 -7.226 1.00 11.40 H new ATOM 0 HZ1 LYS A 30 -1.697 8.662 -5.348 1.00 10.43 H new ATOM 0 HZ2 LYS A 30 -2.858 7.525 -4.854 1.00 10.43 H new ATOM 0 HZ3 LYS A 30 -1.218 7.279 -4.486 1.00 10.43 H new ATOM 439 N CYS A 31 -2.978 0.187 -7.733 1.00 43.43 N ATOM 440 CA CYS A 31 -3.672 -1.074 -7.498 1.00 4.11 C ATOM 441 C CYS A 31 -4.151 -1.169 -6.052 1.00 40.43 C ATOM 442 O CYS A 31 -3.348 -1.174 -5.119 1.00 21.25 O ATOM 443 CB CYS A 31 -2.753 -2.253 -7.822 1.00 55.25 C ATOM 444 SG CYS A 31 -3.472 -3.883 -7.441 1.00 65.24 S ATOM 0 H CYS A 31 -2.041 0.234 -7.332 1.00 43.43 H new ATOM 0 HA CYS A 31 -4.542 -1.110 -8.153 1.00 4.11 H new ATOM 0 HB2 CYS A 31 -2.496 -2.220 -8.881 1.00 55.25 H new ATOM 0 HB3 CYS A 31 -1.823 -2.139 -7.265 1.00 55.25 H new ATOM 449 N LYS A 32 -5.466 -1.247 -5.875 1.00 74.21 N ATOM 450 CA LYS A 32 -6.054 -1.346 -4.545 1.00 53.14 C ATOM 451 C LYS A 32 -6.857 -2.634 -4.398 1.00 52.43 C ATOM 452 O LYS A 32 -8.017 -2.704 -4.805 1.00 3.45 O ATOM 453 CB LYS A 32 -6.954 -0.137 -4.272 1.00 62.41 C ATOM 454 CG LYS A 32 -7.794 -0.277 -3.015 1.00 24.11 C ATOM 455 CD LYS A 32 -6.932 -0.546 -1.794 1.00 63.34 C ATOM 456 CE LYS A 32 -5.973 0.602 -1.524 1.00 71.20 C ATOM 457 NZ LYS A 32 -5.589 0.680 -0.087 1.00 24.04 N1+ ATOM 0 H LYS A 32 -6.144 -1.244 -6.637 1.00 74.21 H new ATOM 0 HA LYS A 32 -5.243 -1.360 -3.817 1.00 53.14 H new ATOM 0 HB2 LYS A 32 -6.334 0.755 -4.187 1.00 62.41 H new ATOM 0 HB3 LYS A 32 -7.615 0.014 -5.126 1.00 62.41 H new ATOM 0 HG2 LYS A 32 -8.372 0.634 -2.860 1.00 24.11 H new ATOM 0 HG3 LYS A 32 -8.509 -1.090 -3.143 1.00 24.11 H new ATOM 0 HD2 LYS A 32 -7.570 -0.700 -0.924 1.00 63.34 H new ATOM 0 HD3 LYS A 32 -6.367 -1.466 -1.942 1.00 63.34 H new ATOM 0 HE2 LYS A 32 -5.077 0.477 -2.133 1.00 71.20 H new ATOM 0 HE3 LYS A 32 -6.436 1.541 -1.827 1.00 71.20 H new ATOM 0 HZ1 LYS A 32 -4.935 1.476 0.055 1.00 24.04 H new ATOM 0 HZ2 LYS A 32 -6.440 0.825 0.492 1.00 24.04 H new ATOM 0 HZ3 LYS A 32 -5.124 -0.206 0.197 1.00 24.04 H new ATOM 471 N CYS A 33 -6.233 -3.651 -3.814 1.00 32.12 N ATOM 472 CA CYS A 33 -6.890 -4.937 -3.612 1.00 63.03 C ATOM 473 C CYS A 33 -8.104 -4.792 -2.700 1.00 61.42 C ATOM 474 O CYS A 33 -8.161 -3.888 -1.866 1.00 15.41 O ATOM 475 CB CYS A 33 -5.907 -5.947 -3.015 1.00 75.43 C ATOM 476 SG CYS A 33 -4.849 -6.772 -4.247 1.00 63.24 S ATOM 0 H CYS A 33 -5.273 -3.610 -3.472 1.00 32.12 H new ATOM 0 HA CYS A 33 -7.229 -5.299 -4.582 1.00 63.03 H new ATOM 0 HB2 CYS A 33 -5.272 -5.436 -2.291 1.00 75.43 H new ATOM 0 HB3 CYS A 33 -6.468 -6.705 -2.468 1.00 75.43 H new ATOM 481 N TYR A 34 -9.072 -5.686 -2.865 1.00 11.34 N ATOM 482 CA TYR A 34 -10.285 -5.657 -2.058 1.00 13.21 C ATOM 483 C TYR A 34 -10.199 -6.654 -0.907 1.00 65.13 C ATOM 484 O TYR A 34 -10.701 -6.402 0.188 1.00 3.32 O ATOM 485 CB TYR A 34 -11.507 -5.966 -2.925 1.00 53.31 C ATOM 486 CG TYR A 34 -12.088 -4.749 -3.608 1.00 31.41 C ATOM 487 CD1 TYR A 34 -11.338 -4.014 -4.518 1.00 74.15 C ATOM 488 CD2 TYR A 34 -13.386 -4.332 -3.342 1.00 73.21 C ATOM 489 CE1 TYR A 34 -11.864 -2.901 -5.145 1.00 23.02 C ATOM 490 CE2 TYR A 34 -13.921 -3.221 -3.965 1.00 71.21 C ATOM 491 CZ TYR A 34 -13.157 -2.509 -4.865 1.00 70.55 C ATOM 492 OH TYR A 34 -13.686 -1.401 -5.486 1.00 44.45 O ATOM 0 H TYR A 34 -9.040 -6.440 -3.551 1.00 11.34 H new ATOM 0 HA TYR A 34 -10.388 -4.656 -1.640 1.00 13.21 H new ATOM 0 HB2 TYR A 34 -11.229 -6.699 -3.682 1.00 53.31 H new ATOM 0 HB3 TYR A 34 -12.276 -6.425 -2.304 1.00 53.31 H new ATOM 0 HD1 TYR A 34 -10.326 -4.318 -4.739 1.00 74.15 H new ATOM 0 HD2 TYR A 34 -13.987 -4.886 -2.636 1.00 73.21 H new ATOM 0 HE1 TYR A 34 -11.267 -2.341 -5.850 1.00 23.02 H new ATOM 0 HE2 TYR A 34 -14.933 -2.912 -3.748 1.00 71.21 H new ATOM 0 HH TYR A 34 -14.606 -1.262 -5.179 1.00 44.45 H new ATOM 502 N GLY A 35 -9.558 -7.791 -1.163 1.00 60.11 N ATOM 503 CA GLY A 35 -9.416 -8.810 -0.140 1.00 31.44 C ATOM 504 C GLY A 35 -10.670 -9.646 0.023 1.00 22.31 C ATOM 505 O GLY A 35 -11.775 -9.182 -0.259 1.00 24.14 O ATOM 0 H GLY A 35 -9.135 -8.024 -2.061 1.00 60.11 H new ATOM 0 HA2 GLY A 35 -8.579 -9.461 -0.394 1.00 31.44 H new ATOM 0 HA3 GLY A 35 -9.174 -8.335 0.811 1.00 31.44 H new ATOM 509 N CYS A 36 -10.500 -10.883 0.478 1.00 75.53 N ATOM 510 CA CYS A 36 -11.626 -11.787 0.675 1.00 65.11 C ATOM 511 C CYS A 36 -12.486 -11.335 1.852 1.00 41.33 C ATOM 512 O CYS A 36 -12.030 -11.308 2.995 1.00 10.24 O ATOM 513 CB CYS A 36 -11.125 -13.213 0.915 1.00 42.43 C ATOM 514 SG CYS A 36 -10.001 -13.832 -0.377 1.00 34.34 S ATOM 0 H CYS A 36 -9.592 -11.282 0.717 1.00 75.53 H new ATOM 0 HA CYS A 36 -12.237 -11.770 -0.228 1.00 65.11 H new ATOM 0 HB2 CYS A 36 -10.612 -13.250 1.876 1.00 42.43 H new ATOM 0 HB3 CYS A 36 -11.983 -13.881 0.986 1.00 42.43 H new ATOM 519 N VAL A 37 -13.734 -10.979 1.563 1.00 53.23 N ATOM 520 CA VAL A 37 -14.659 -10.529 2.596 1.00 44.41 C ATOM 521 C VAL A 37 -15.999 -11.247 2.484 1.00 14.31 C ATOM 522 O VAL A 37 -16.439 -11.597 1.388 1.00 1.24 O ATOM 523 CB VAL A 37 -14.895 -9.010 2.514 1.00 11.13 C ATOM 524 CG1 VAL A 37 -13.648 -8.251 2.944 1.00 21.55 C ATOM 525 CG2 VAL A 37 -15.313 -8.610 1.107 1.00 35.32 C ATOM 0 H VAL A 37 -14.127 -10.994 0.622 1.00 53.23 H new ATOM 0 HA VAL A 37 -14.202 -10.767 3.556 1.00 44.41 H new ATOM 0 HB VAL A 37 -15.704 -8.749 3.197 1.00 11.13 H new ATOM 0 HG11 VAL A 37 -13.834 -7.179 2.879 1.00 21.55 H new ATOM 0 HG12 VAL A 37 -13.398 -8.515 3.972 1.00 21.55 H new ATOM 0 HG13 VAL A 37 -12.817 -8.515 2.289 1.00 21.55 H new ATOM 0 HG21 VAL A 37 -15.475 -7.533 1.068 1.00 35.32 H new ATOM 0 HG22 VAL A 37 -14.528 -8.884 0.402 1.00 35.32 H new ATOM 0 HG23 VAL A 37 -16.236 -9.126 0.841 1.00 35.32 H new TER 535 VAL A 37