USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=9 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= 0.426 K(o=0.43,f=-3.6!) USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= -0.11 (180deg=-0.505) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.08) 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= 0.05 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 44:sc= 0.899 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) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0254) USER MOD Single : A 34 TYR OH : rot 180:sc= -1.13 USER MOD ----------------------------------------------------------------- ATOM 8 N ASP A 2 0.756 0.493 -3.175 1.00 62.10 N ATOM 9 CA ASP A 2 -0.104 0.204 -4.317 1.00 71.35 C ATOM 10 C ASP A 2 0.728 -0.123 -5.553 1.00 35.32 C ATOM 11 O ASP A 2 1.705 0.562 -5.855 1.00 65.54 O ATOM 12 CB ASP A 2 -1.022 1.392 -4.605 1.00 63.04 C ATOM 13 CG ASP A 2 -1.811 1.824 -3.385 1.00 61.13 C ATOM 14 OD1 ASP A 2 -1.692 3.002 -2.988 1.00 34.22 O ATOM 15 OD2 ASP A 2 -2.547 0.984 -2.825 1.00 0.23 O1- ATOM 0 HA ASP A 2 -0.714 -0.665 -4.071 1.00 71.35 H new ATOM 0 HB2 ASP A 2 -0.425 2.230 -4.963 1.00 63.04 H new ATOM 0 HB3 ASP A 2 -1.713 1.128 -5.406 1.00 63.04 H new ATOM 20 N ILE A 3 0.334 -1.175 -6.263 1.00 65.02 N ATOM 21 CA ILE A 3 1.043 -1.593 -7.466 1.00 62.21 C ATOM 22 C ILE A 3 0.623 -0.757 -8.671 1.00 1.00 C ATOM 23 O ILE A 3 -0.560 -0.675 -9.001 1.00 25.10 O ATOM 24 CB ILE A 3 0.796 -3.081 -7.777 1.00 4.52 C ATOM 25 CG1 ILE A 3 1.226 -3.951 -6.594 1.00 45.41 C ATOM 26 CG2 ILE A 3 1.540 -3.489 -9.040 1.00 31.14 C ATOM 27 CD1 ILE A 3 0.140 -4.139 -5.557 1.00 33.10 C ATOM 0 H ILE A 3 -0.472 -1.753 -6.026 1.00 65.02 H new ATOM 0 HA ILE A 3 2.105 -1.442 -7.274 1.00 62.21 H new ATOM 0 HB ILE A 3 -0.271 -3.229 -7.943 1.00 4.52 H new ATOM 0 HG12 ILE A 3 1.536 -4.928 -6.965 1.00 45.41 H new ATOM 0 HG13 ILE A 3 2.097 -3.500 -6.119 1.00 45.41 H new ATOM 0 HG21 ILE A 3 1.355 -4.543 -9.246 1.00 31.14 H new ATOM 0 HG22 ILE A 3 1.189 -2.888 -9.879 1.00 31.14 H new ATOM 0 HG23 ILE A 3 2.609 -3.328 -8.900 1.00 31.14 H new ATOM 0 HD11 ILE A 3 0.514 -4.766 -4.748 1.00 33.10 H new ATOM 0 HD12 ILE A 3 -0.154 -3.168 -5.158 1.00 33.10 H new ATOM 0 HD13 ILE A 3 -0.724 -4.619 -6.018 1.00 33.10 H new ATOM 39 N LYS A 4 1.600 -0.138 -9.324 1.00 42.23 N ATOM 40 CA LYS A 4 1.335 0.690 -10.494 1.00 60.33 C ATOM 41 C LYS A 4 0.893 -0.165 -11.677 1.00 34.13 C ATOM 42 O LYS A 4 1.462 -1.226 -11.936 1.00 0.02 O ATOM 43 CB LYS A 4 2.582 1.493 -10.870 1.00 0.52 C ATOM 44 CG LYS A 4 2.362 2.452 -12.027 1.00 53.23 C ATOM 45 CD LYS A 4 1.925 3.823 -11.539 1.00 21.10 C ATOM 46 CE LYS A 4 3.119 4.727 -11.272 1.00 14.23 C ATOM 47 NZ LYS A 4 2.707 6.142 -11.062 1.00 54.30 N1+ ATOM 0 H LYS A 4 2.584 -0.194 -9.062 1.00 42.23 H new ATOM 0 HA LYS A 4 0.528 1.379 -10.244 1.00 60.33 H new ATOM 0 HB2 LYS A 4 2.916 2.058 -10.000 1.00 0.52 H new ATOM 0 HB3 LYS A 4 3.384 0.802 -11.129 1.00 0.52 H new ATOM 0 HG2 LYS A 4 3.283 2.546 -12.603 1.00 53.23 H new ATOM 0 HG3 LYS A 4 1.606 2.046 -12.699 1.00 53.23 H new ATOM 0 HD2 LYS A 4 1.277 4.285 -12.283 1.00 21.10 H new ATOM 0 HD3 LYS A 4 1.338 3.716 -10.627 1.00 21.10 H new ATOM 0 HE2 LYS A 4 3.655 4.370 -10.392 1.00 14.23 H new ATOM 0 HE3 LYS A 4 3.812 4.671 -12.112 1.00 14.23 H new ATOM 0 HZ1 LYS A 4 3.549 6.726 -10.883 1.00 54.30 H new ATOM 0 HZ2 LYS A 4 2.218 6.491 -11.911 1.00 54.30 H new ATOM 0 HZ3 LYS A 4 2.066 6.199 -10.245 1.00 54.30 H new ATOM 61 N CYS A 5 -0.124 0.303 -12.392 1.00 10.41 N ATOM 62 CA CYS A 5 -0.643 -0.418 -13.548 1.00 21.11 C ATOM 63 C CYS A 5 -1.599 0.458 -14.352 1.00 1.33 C ATOM 64 O CYS A 5 -1.810 1.626 -14.026 1.00 73.11 O ATOM 65 CB CYS A 5 -1.357 -1.696 -13.102 1.00 60.55 C ATOM 66 SG CYS A 5 -2.725 -1.411 -11.932 1.00 4.21 S ATOM 0 H CYS A 5 -0.606 1.179 -12.191 1.00 10.41 H new ATOM 0 HA CYS A 5 0.200 -0.685 -14.185 1.00 21.11 H new ATOM 0 HB2 CYS A 5 -1.746 -2.209 -13.982 1.00 60.55 H new ATOM 0 HB3 CYS A 5 -0.630 -2.364 -12.639 1.00 60.55 H new ATOM 71 N SER A 6 -2.176 -0.115 -15.403 1.00 42.24 N ATOM 72 CA SER A 6 -3.108 0.614 -16.256 1.00 61.44 C ATOM 73 C SER A 6 -4.432 -0.133 -16.377 1.00 32.03 C ATOM 74 O SER A 6 -5.500 0.430 -16.137 1.00 63.32 O ATOM 75 CB SER A 6 -2.502 0.828 -17.644 1.00 50.22 C ATOM 76 OG SER A 6 -2.992 2.018 -18.237 1.00 20.54 O ATOM 0 H SER A 6 -2.015 -1.082 -15.685 1.00 42.24 H new ATOM 0 HA SER A 6 -3.299 1.584 -15.797 1.00 61.44 H new ATOM 0 HB2 SER A 6 -1.416 0.877 -17.566 1.00 50.22 H new ATOM 0 HB3 SER A 6 -2.738 -0.024 -18.282 1.00 50.22 H new ATOM 0 HG SER A 6 -2.588 2.133 -19.123 1.00 20.54 H new ATOM 82 N GLY A 7 -4.355 -1.407 -16.751 1.00 64.14 N ATOM 83 CA GLY A 7 -5.553 -2.212 -16.897 1.00 33.31 C ATOM 84 C GLY A 7 -5.920 -2.944 -15.621 1.00 44.41 C ATOM 85 O GLY A 7 -5.264 -2.780 -14.592 1.00 64.33 O ATOM 0 H GLY A 7 -3.483 -1.896 -16.955 1.00 64.14 H new ATOM 0 HA2 GLY A 7 -6.383 -1.572 -17.196 1.00 33.31 H new ATOM 0 HA3 GLY A 7 -5.405 -2.936 -17.698 1.00 33.31 H new ATOM 89 N THR A 8 -6.971 -3.756 -15.688 1.00 13.31 N ATOM 90 CA THR A 8 -7.424 -4.515 -14.530 1.00 70.34 C ATOM 91 C THR A 8 -6.565 -5.754 -14.312 1.00 24.33 C ATOM 92 O THR A 8 -6.015 -5.959 -13.230 1.00 53.31 O ATOM 93 CB THR A 8 -8.896 -4.944 -14.681 1.00 51.14 C ATOM 94 OG1 THR A 8 -9.625 -3.948 -15.407 1.00 73.14 O ATOM 95 CG2 THR A 8 -9.540 -5.158 -13.320 1.00 22.01 C ATOM 0 H THR A 8 -7.524 -3.904 -16.532 1.00 13.31 H new ATOM 0 HA THR A 8 -7.331 -3.857 -13.666 1.00 70.34 H new ATOM 0 HB THR A 8 -8.922 -5.885 -15.230 1.00 51.14 H new ATOM 0 HG1 THR A 8 -10.559 -4.229 -15.500 1.00 73.14 H new ATOM 0 HG21 THR A 8 -10.579 -5.460 -13.453 1.00 22.01 H new ATOM 0 HG22 THR A 8 -9.001 -5.937 -12.781 1.00 22.01 H new ATOM 0 HG23 THR A 8 -9.502 -4.230 -12.750 1.00 22.01 H new ATOM 103 N ARG A 9 -6.452 -6.579 -15.349 1.00 63.03 N ATOM 104 CA ARG A 9 -5.659 -7.799 -15.271 1.00 35.22 C ATOM 105 C ARG A 9 -4.253 -7.503 -14.757 1.00 62.21 C ATOM 106 O ARG A 9 -3.718 -8.239 -13.927 1.00 12.24 O ATOM 107 CB ARG A 9 -5.579 -8.470 -16.644 1.00 50.11 C ATOM 108 CG ARG A 9 -4.588 -9.621 -16.703 1.00 54.31 C ATOM 109 CD ARG A 9 -4.991 -10.752 -15.769 1.00 31.23 C ATOM 110 NE ARG A 9 -6.135 -11.502 -16.278 1.00 53.25 N ATOM 111 CZ ARG A 9 -6.042 -12.434 -17.221 1.00 74.41 C ATOM 112 NH1 ARG A 9 -4.864 -12.728 -17.753 1.00 43.15 N1+ ATOM 113 NH2 ARG A 9 -7.129 -13.073 -17.633 1.00 42.11 N ATOM 0 H ARG A 9 -6.900 -6.424 -16.252 1.00 63.03 H new ATOM 0 HA ARG A 9 -6.149 -8.475 -14.571 1.00 35.22 H new ATOM 0 HB2 ARG A 9 -6.568 -8.839 -16.917 1.00 50.11 H new ATOM 0 HB3 ARG A 9 -5.301 -7.724 -17.388 1.00 50.11 H new ATOM 0 HG2 ARG A 9 -4.525 -9.996 -17.724 1.00 54.31 H new ATOM 0 HG3 ARG A 9 -3.595 -9.262 -16.434 1.00 54.31 H new ATOM 0 HD2 ARG A 9 -4.147 -11.428 -15.633 1.00 31.23 H new ATOM 0 HD3 ARG A 9 -5.233 -10.343 -14.788 1.00 31.23 H new ATOM 0 HE ARG A 9 -7.056 -11.300 -15.889 1.00 53.25 H new ATOM 0 HH11 ARG A 9 -4.026 -12.239 -17.439 1.00 43.15 H new ATOM 0 HH12 ARG A 9 -4.795 -13.444 -18.477 1.00 43.15 H new ATOM 0 HH21 ARG A 9 -8.037 -12.849 -17.226 1.00 42.11 H new ATOM 0 HH22 ARG A 9 -7.057 -13.788 -18.357 1.00 42.11 H new ATOM 127 N GLN A 10 -3.662 -6.421 -15.254 1.00 2.21 N ATOM 128 CA GLN A 10 -2.319 -6.029 -14.844 1.00 65.23 C ATOM 129 C GLN A 10 -2.209 -5.968 -13.325 1.00 0.55 C ATOM 130 O GLN A 10 -1.141 -6.206 -12.759 1.00 51.15 O ATOM 131 CB GLN A 10 -1.955 -4.672 -15.449 1.00 4.11 C ATOM 132 CG GLN A 10 -1.936 -4.669 -16.969 1.00 74.01 C ATOM 133 CD GLN A 10 -1.186 -3.482 -17.541 1.00 42.22 C ATOM 134 OE1 GLN A 10 -1.787 -2.471 -17.910 1.00 13.10 O ATOM 135 NE2 GLN A 10 0.135 -3.596 -17.619 1.00 2.11 N ATOM 0 H GLN A 10 -4.092 -5.801 -15.940 1.00 2.21 H new ATOM 0 HA GLN A 10 -1.620 -6.782 -15.210 1.00 65.23 H new ATOM 0 HB2 GLN A 10 -2.669 -3.925 -15.101 1.00 4.11 H new ATOM 0 HB3 GLN A 10 -0.974 -4.371 -15.081 1.00 4.11 H new ATOM 0 HG2 GLN A 10 -1.475 -5.591 -17.325 1.00 74.01 H new ATOM 0 HG3 GLN A 10 -2.960 -4.660 -17.341 1.00 74.01 H new ATOM 0 HE21 GLN A 10 0.593 -4.451 -17.302 1.00 2.11 H new ATOM 0 HE22 GLN A 10 0.692 -2.829 -17.996 1.00 2.11 H new ATOM 144 N CYS A 11 -3.319 -5.646 -12.669 1.00 12.13 N ATOM 145 CA CYS A 11 -3.348 -5.552 -11.214 1.00 65.14 C ATOM 146 C CYS A 11 -3.545 -6.928 -10.584 1.00 41.34 C ATOM 147 O CYS A 11 -2.946 -7.242 -9.555 1.00 2.11 O ATOM 148 CB CYS A 11 -4.466 -4.609 -10.765 1.00 10.03 C ATOM 149 SG CYS A 11 -4.671 -4.505 -8.958 1.00 1.12 S ATOM 0 H CYS A 11 -4.211 -5.446 -13.122 1.00 12.13 H new ATOM 0 HA CYS A 11 -2.390 -5.153 -10.881 1.00 65.14 H new ATOM 0 HB2 CYS A 11 -4.264 -3.611 -11.155 1.00 10.03 H new ATOM 0 HB3 CYS A 11 -5.405 -4.940 -11.208 1.00 10.03 H new ATOM 154 N TRP A 12 -4.387 -7.742 -11.208 1.00 72.32 N ATOM 155 CA TRP A 12 -4.662 -9.086 -10.709 1.00 3.31 C ATOM 156 C TRP A 12 -3.370 -9.874 -10.526 1.00 33.15 C ATOM 157 O TRP A 12 -3.216 -10.614 -9.555 1.00 61.15 O ATOM 158 CB TRP A 12 -5.595 -9.827 -11.668 1.00 71.44 C ATOM 159 CG TRP A 12 -6.934 -9.169 -11.821 1.00 61.14 C ATOM 160 CD1 TRP A 12 -7.392 -8.075 -11.145 1.00 73.05 C ATOM 161 CD2 TRP A 12 -7.988 -9.568 -12.704 1.00 41.42 C ATOM 162 NE1 TRP A 12 -8.667 -7.769 -11.555 1.00 4.11 N ATOM 163 CE2 TRP A 12 -9.055 -8.669 -12.512 1.00 35.24 C ATOM 164 CE3 TRP A 12 -8.134 -10.595 -13.641 1.00 40.33 C ATOM 165 CZ2 TRP A 12 -10.249 -8.769 -13.221 1.00 42.32 C ATOM 166 CZ3 TRP A 12 -9.319 -10.692 -14.344 1.00 31.34 C ATOM 167 CH2 TRP A 12 -10.364 -9.783 -14.131 1.00 44.03 C ATOM 0 H TRP A 12 -4.892 -7.497 -12.060 1.00 72.32 H new ATOM 0 HA TRP A 12 -5.149 -8.994 -9.738 1.00 3.31 H new ATOM 0 HB2 TRP A 12 -5.119 -9.897 -12.646 1.00 71.44 H new ATOM 0 HB3 TRP A 12 -5.738 -10.846 -11.310 1.00 71.44 H new ATOM 0 HD1 TRP A 12 -6.834 -7.530 -10.398 1.00 73.05 H new ATOM 0 HE1 TRP A 12 -9.233 -6.997 -11.204 1.00 4.11 H new ATOM 0 HE3 TRP A 12 -7.334 -11.300 -13.812 1.00 40.33 H new ATOM 0 HZ2 TRP A 12 -11.056 -8.070 -13.058 1.00 42.32 H new ATOM 0 HZ3 TRP A 12 -9.442 -11.482 -15.070 1.00 31.34 H new ATOM 0 HH2 TRP A 12 -11.278 -9.885 -14.697 1.00 44.03 H new ATOM 178 N GLY A 13 -2.443 -9.710 -11.465 1.00 71.22 N ATOM 179 CA GLY A 13 -1.177 -10.414 -11.388 1.00 42.02 C ATOM 180 C GLY A 13 -0.508 -10.258 -10.037 1.00 40.21 C ATOM 181 O GLY A 13 -0.379 -11.212 -9.270 1.00 54.21 O ATOM 0 H GLY A 13 -2.547 -9.102 -12.277 1.00 71.22 H new ATOM 0 HA2 GLY A 13 -1.341 -11.473 -11.589 1.00 42.02 H new ATOM 0 HA3 GLY A 13 -0.510 -10.042 -12.165 1.00 42.02 H new ATOM 185 N PRO A 14 -0.069 -9.029 -9.728 1.00 4.43 N ATOM 186 CA PRO A 14 0.599 -8.721 -8.460 1.00 22.31 C ATOM 187 C PRO A 14 -0.355 -8.783 -7.273 1.00 31.34 C ATOM 188 O PRO A 14 0.059 -9.043 -6.143 1.00 32.04 O ATOM 189 CB PRO A 14 1.107 -7.292 -8.664 1.00 13.02 C ATOM 190 CG PRO A 14 0.196 -6.708 -9.688 1.00 33.44 C ATOM 191 CD PRO A 14 -0.190 -7.844 -10.595 1.00 22.03 C ATOM 0 HA PRO A 14 1.386 -9.439 -8.229 1.00 22.31 H new ATOM 0 HB2 PRO A 14 1.074 -6.724 -7.734 1.00 13.02 H new ATOM 0 HB3 PRO A 14 2.142 -7.285 -9.005 1.00 13.02 H new ATOM 0 HG2 PRO A 14 -0.684 -6.265 -9.221 1.00 33.44 H new ATOM 0 HG3 PRO A 14 0.694 -5.915 -10.246 1.00 33.44 H new ATOM 0 HD2 PRO A 14 -1.204 -7.727 -10.976 1.00 22.03 H new ATOM 0 HD3 PRO A 14 0.470 -7.910 -11.460 1.00 22.03 H new ATOM 199 N CYS A 15 -1.636 -8.545 -7.536 1.00 62.23 N ATOM 200 CA CYS A 15 -2.650 -8.574 -6.489 1.00 3.44 C ATOM 201 C CYS A 15 -2.803 -9.980 -5.918 1.00 30.12 C ATOM 202 O CYS A 15 -3.050 -10.155 -4.725 1.00 73.25 O ATOM 203 CB CYS A 15 -3.993 -8.086 -7.038 1.00 74.34 C ATOM 204 SG CYS A 15 -5.314 -7.987 -5.788 1.00 62.22 S ATOM 0 H CYS A 15 -1.996 -8.330 -8.466 1.00 62.23 H new ATOM 0 HA CYS A 15 -2.328 -7.909 -5.688 1.00 3.44 H new ATOM 0 HB2 CYS A 15 -3.855 -7.101 -7.484 1.00 74.34 H new ATOM 0 HB3 CYS A 15 -4.312 -8.756 -7.836 1.00 74.34 H new ATOM 209 N LYS A 16 -2.653 -10.982 -6.779 1.00 64.42 N ATOM 210 CA LYS A 16 -2.771 -12.374 -6.362 1.00 3.12 C ATOM 211 C LYS A 16 -1.659 -12.747 -5.387 1.00 25.42 C ATOM 212 O LYS A 16 -1.893 -13.440 -4.397 1.00 50.24 O ATOM 213 CB LYS A 16 -2.727 -13.298 -7.581 1.00 71.40 C ATOM 214 CG LYS A 16 -3.678 -14.478 -7.483 1.00 31.03 C ATOM 215 CD LYS A 16 -3.145 -15.549 -6.547 1.00 10.24 C ATOM 216 CE LYS A 16 -1.889 -16.202 -7.105 1.00 12.14 C ATOM 217 NZ LYS A 16 -2.095 -16.706 -8.491 1.00 44.01 N1+ ATOM 0 H LYS A 16 -2.449 -10.855 -7.770 1.00 64.42 H new ATOM 0 HA LYS A 16 -3.729 -12.496 -5.856 1.00 3.12 H new ATOM 0 HB2 LYS A 16 -2.968 -12.720 -8.473 1.00 71.40 H new ATOM 0 HB3 LYS A 16 -1.711 -13.671 -7.708 1.00 71.40 H new ATOM 0 HG2 LYS A 16 -4.650 -14.135 -7.128 1.00 31.03 H new ATOM 0 HG3 LYS A 16 -3.833 -14.904 -8.474 1.00 31.03 H new ATOM 0 HD2 LYS A 16 -2.926 -15.108 -5.575 1.00 10.24 H new ATOM 0 HD3 LYS A 16 -3.911 -16.308 -6.387 1.00 10.24 H new ATOM 0 HE2 LYS A 16 -1.071 -15.481 -7.098 1.00 12.14 H new ATOM 0 HE3 LYS A 16 -1.591 -17.028 -6.459 1.00 12.14 H new ATOM 0 HZ1 LYS A 16 -1.352 -17.395 -8.724 1.00 44.01 H new ATOM 0 HZ2 LYS A 16 -3.026 -17.164 -8.559 1.00 44.01 H new ATOM 0 HZ3 LYS A 16 -2.051 -15.911 -9.160 1.00 44.01 H new ATOM 231 N LYS A 17 -0.448 -12.281 -5.673 1.00 20.43 N ATOM 232 CA LYS A 17 0.702 -12.562 -4.821 1.00 52.42 C ATOM 233 C LYS A 17 0.435 -12.122 -3.385 1.00 3.52 C ATOM 234 O LYS A 17 0.606 -12.898 -2.446 1.00 41.22 O ATOM 235 CB LYS A 17 1.948 -11.857 -5.360 1.00 61.20 C ATOM 236 CG LYS A 17 3.248 -12.535 -4.967 1.00 31.15 C ATOM 237 CD LYS A 17 3.520 -13.761 -5.822 1.00 5.45 C ATOM 238 CE LYS A 17 4.072 -13.378 -7.186 1.00 32.53 C ATOM 239 NZ LYS A 17 4.861 -14.484 -7.795 1.00 63.43 N1+ ATOM 0 H LYS A 17 -0.237 -11.706 -6.489 1.00 20.43 H new ATOM 0 HA LYS A 17 0.872 -13.639 -4.827 1.00 52.42 H new ATOM 0 HB2 LYS A 17 1.887 -11.810 -6.447 1.00 61.20 H new ATOM 0 HB3 LYS A 17 1.960 -10.829 -4.997 1.00 61.20 H new ATOM 0 HG2 LYS A 17 4.072 -11.829 -5.069 1.00 31.15 H new ATOM 0 HG3 LYS A 17 3.205 -12.825 -3.917 1.00 31.15 H new ATOM 0 HD2 LYS A 17 4.229 -14.412 -5.311 1.00 5.45 H new ATOM 0 HD3 LYS A 17 2.599 -14.330 -5.948 1.00 5.45 H new ATOM 0 HE2 LYS A 17 3.249 -13.111 -7.849 1.00 32.53 H new ATOM 0 HE3 LYS A 17 4.702 -12.494 -7.088 1.00 32.53 H new ATOM 0 HZ1 LYS A 17 5.220 -14.184 -8.724 1.00 63.43 H new ATOM 0 HZ2 LYS A 17 5.661 -14.722 -7.175 1.00 63.43 H new ATOM 0 HZ3 LYS A 17 4.254 -15.320 -7.912 1.00 63.43 H new ATOM 253 N GLN A 18 0.015 -10.871 -3.224 1.00 3.42 N ATOM 254 CA GLN A 18 -0.275 -10.327 -1.902 1.00 74.11 C ATOM 255 C GLN A 18 -1.568 -10.913 -1.345 1.00 31.40 C ATOM 256 O GLN A 18 -1.631 -11.314 -0.181 1.00 41.21 O ATOM 257 CB GLN A 18 -0.377 -8.803 -1.965 1.00 50.14 C ATOM 258 CG GLN A 18 0.969 -8.099 -1.893 1.00 1.24 C ATOM 259 CD GLN A 18 0.848 -6.652 -1.458 1.00 33.51 C ATOM 260 OE1 GLN A 18 1.033 -5.734 -2.257 1.00 40.45 O ATOM 261 NE2 GLN A 18 0.537 -6.441 -0.185 1.00 65.50 N ATOM 0 H GLN A 18 -0.132 -10.216 -3.992 1.00 3.42 H new ATOM 0 HA GLN A 18 0.543 -10.601 -1.236 1.00 74.11 H new ATOM 0 HB2 GLN A 18 -0.877 -8.519 -2.891 1.00 50.14 H new ATOM 0 HB3 GLN A 18 -1.004 -8.455 -1.144 1.00 50.14 H new ATOM 0 HG2 GLN A 18 1.616 -8.631 -1.196 1.00 1.24 H new ATOM 0 HG3 GLN A 18 1.450 -8.142 -2.870 1.00 1.24 H new ATOM 0 HE21 GLN A 18 0.392 -7.232 0.443 1.00 65.50 H new ATOM 0 HE22 GLN A 18 0.443 -5.488 0.166 1.00 65.50 H new ATOM 270 N THR A 19 -2.600 -10.959 -2.182 1.00 31.11 N ATOM 271 CA THR A 19 -3.892 -11.494 -1.773 1.00 55.23 C ATOM 272 C THR A 19 -4.491 -12.378 -2.861 1.00 11.43 C ATOM 273 O THR A 19 -4.737 -11.924 -3.979 1.00 51.24 O ATOM 274 CB THR A 19 -4.887 -10.367 -1.439 1.00 50.44 C ATOM 275 OG1 THR A 19 -5.318 -9.722 -2.642 1.00 72.12 O ATOM 276 CG2 THR A 19 -4.252 -9.343 -0.509 1.00 74.11 C ATOM 0 H THR A 19 -2.566 -10.632 -3.148 1.00 31.11 H new ATOM 0 HA THR A 19 -3.717 -12.091 -0.878 1.00 55.23 H new ATOM 0 HB THR A 19 -5.747 -10.809 -0.935 1.00 50.44 H new ATOM 0 HG1 THR A 19 -4.975 -10.213 -3.418 1.00 72.12 H new ATOM 0 HG21 THR A 19 -4.973 -8.557 -0.287 1.00 74.11 H new ATOM 0 HG22 THR A 19 -3.950 -9.831 0.418 1.00 74.11 H new ATOM 0 HG23 THR A 19 -3.377 -8.907 -0.991 1.00 74.11 H new ATOM 284 N THR A 20 -4.725 -13.644 -2.528 1.00 61.13 N ATOM 285 CA THR A 20 -5.294 -14.592 -3.476 1.00 1.13 C ATOM 286 C THR A 20 -6.455 -13.971 -4.245 1.00 5.33 C ATOM 287 O THR A 20 -6.657 -14.259 -5.425 1.00 5.34 O ATOM 288 CB THR A 20 -5.786 -15.869 -2.769 1.00 61.25 C ATOM 289 OG1 THR A 20 -6.393 -15.531 -1.516 1.00 10.11 O ATOM 290 CG2 THR A 20 -4.635 -16.835 -2.535 1.00 3.31 C ATOM 0 H THR A 20 -4.528 -14.036 -1.607 1.00 61.13 H new ATOM 0 HA THR A 20 -4.499 -14.856 -4.174 1.00 1.13 H new ATOM 0 HB THR A 20 -6.522 -16.353 -3.411 1.00 61.25 H new ATOM 0 HG1 THR A 20 -6.705 -16.347 -1.073 1.00 10.11 H new ATOM 0 HG21 THR A 20 -5.007 -17.729 -2.035 1.00 3.31 H new ATOM 0 HG22 THR A 20 -4.192 -17.112 -3.492 1.00 3.31 H new ATOM 0 HG23 THR A 20 -3.880 -16.357 -1.911 1.00 3.31 H new ATOM 298 N CYS A 21 -7.215 -13.117 -3.568 1.00 64.14 N ATOM 299 CA CYS A 21 -8.358 -12.454 -4.187 1.00 5.11 C ATOM 300 C CYS A 21 -7.897 -11.423 -5.213 1.00 40.40 C ATOM 301 O CYS A 21 -7.556 -10.292 -4.864 1.00 21.12 O ATOM 302 CB CYS A 21 -9.221 -11.778 -3.120 1.00 1.52 C ATOM 303 SG CYS A 21 -10.314 -12.920 -2.215 1.00 50.33 S ATOM 0 H CYS A 21 -7.061 -12.867 -2.591 1.00 64.14 H new ATOM 0 HA CYS A 21 -8.953 -13.210 -4.699 1.00 5.11 H new ATOM 0 HB2 CYS A 21 -8.569 -11.274 -2.407 1.00 1.52 H new ATOM 0 HB3 CYS A 21 -9.830 -11.008 -3.594 1.00 1.52 H new ATOM 308 N THR A 22 -7.891 -11.819 -6.481 1.00 14.00 N ATOM 309 CA THR A 22 -7.473 -10.932 -7.559 1.00 51.41 C ATOM 310 C THR A 22 -8.449 -9.773 -7.727 1.00 53.53 C ATOM 311 O THR A 22 -8.089 -8.716 -8.242 1.00 3.31 O ATOM 312 CB THR A 22 -7.355 -11.687 -8.896 1.00 73.14 C ATOM 313 OG1 THR A 22 -8.332 -12.732 -8.956 1.00 3.21 O ATOM 314 CG2 THR A 22 -5.963 -12.277 -9.063 1.00 14.31 C ATOM 0 H THR A 22 -8.172 -12.751 -6.787 1.00 14.00 H new ATOM 0 HA THR A 22 -6.493 -10.542 -7.284 1.00 51.41 H new ATOM 0 HB THR A 22 -7.531 -10.978 -9.705 1.00 73.14 H new ATOM 0 HG1 THR A 22 -8.252 -13.206 -9.810 1.00 3.21 H new ATOM 0 HG21 THR A 22 -5.904 -12.805 -10.014 1.00 14.31 H new ATOM 0 HG22 THR A 22 -5.224 -11.476 -9.046 1.00 14.31 H new ATOM 0 HG23 THR A 22 -5.763 -12.973 -8.248 1.00 14.31 H new ATOM 322 N ASN A 23 -9.686 -9.979 -7.286 1.00 53.41 N ATOM 323 CA ASN A 23 -10.715 -8.951 -7.388 1.00 34.21 C ATOM 324 C ASN A 23 -10.193 -7.608 -6.888 1.00 20.55 C ATOM 325 O ASN A 23 -10.052 -7.394 -5.684 1.00 5.23 O ATOM 326 CB ASN A 23 -11.954 -9.358 -6.589 1.00 61.22 C ATOM 327 CG ASN A 23 -13.221 -8.710 -7.116 1.00 4.53 C ATOM 328 OD1 ASN A 23 -13.709 -9.058 -8.191 1.00 12.23 O ATOM 329 ND2 ASN A 23 -13.759 -7.763 -6.357 1.00 73.14 N ATOM 0 H ASN A 23 -10.000 -10.848 -6.855 1.00 53.41 H new ATOM 0 HA ASN A 23 -10.987 -8.848 -8.439 1.00 34.21 H new ATOM 0 HB2 ASN A 23 -12.063 -10.442 -6.621 1.00 61.22 H new ATOM 0 HB3 ASN A 23 -11.816 -9.082 -5.544 1.00 61.22 H new ATOM 0 HD21 ASN A 23 -14.612 -7.291 -6.658 1.00 73.14 H new ATOM 0 HD22 ASN A 23 -13.320 -7.507 -5.473 1.00 73.14 H new ATOM 336 N SER A 24 -9.907 -6.705 -7.821 1.00 54.05 N ATOM 337 CA SER A 24 -9.397 -5.383 -7.475 1.00 34.31 C ATOM 338 C SER A 24 -9.786 -4.356 -8.534 1.00 44.51 C ATOM 339 O SER A 24 -10.365 -4.700 -9.566 1.00 53.52 O ATOM 340 CB SER A 24 -7.875 -5.423 -7.323 1.00 75.00 C ATOM 341 OG SER A 24 -7.375 -4.180 -6.864 1.00 22.34 O ATOM 0 H SER A 24 -10.020 -6.865 -8.822 1.00 54.05 H new ATOM 0 HA SER A 24 -9.842 -5.087 -6.525 1.00 34.31 H new ATOM 0 HB2 SER A 24 -7.597 -6.211 -6.623 1.00 75.00 H new ATOM 0 HB3 SER A 24 -7.417 -5.671 -8.281 1.00 75.00 H new ATOM 0 HG SER A 24 -7.946 -3.844 -6.142 1.00 22.34 H new ATOM 347 N LYS A 25 -9.466 -3.094 -8.271 1.00 3.11 N ATOM 348 CA LYS A 25 -9.779 -2.014 -9.200 1.00 42.00 C ATOM 349 C LYS A 25 -8.581 -1.090 -9.384 1.00 25.42 C ATOM 350 O LYS A 25 -8.120 -0.457 -8.433 1.00 61.41 O ATOM 351 CB LYS A 25 -10.983 -1.214 -8.697 1.00 42.44 C ATOM 352 CG LYS A 25 -12.310 -1.695 -9.257 1.00 20.30 C ATOM 353 CD LYS A 25 -13.239 -0.533 -9.565 1.00 61.22 C ATOM 354 CE LYS A 25 -13.954 -0.043 -8.315 1.00 34.25 C ATOM 355 NZ LYS A 25 -15.009 0.958 -8.635 1.00 70.51 N1+ ATOM 0 H LYS A 25 -8.989 -2.793 -7.421 1.00 3.11 H new ATOM 0 HA LYS A 25 -10.023 -2.458 -10.165 1.00 42.00 H new ATOM 0 HB2 LYS A 25 -11.016 -1.269 -7.609 1.00 42.44 H new ATOM 0 HB3 LYS A 25 -10.847 -0.165 -8.959 1.00 42.44 H new ATOM 0 HG2 LYS A 25 -12.135 -2.273 -10.165 1.00 20.30 H new ATOM 0 HG3 LYS A 25 -12.787 -2.364 -8.541 1.00 20.30 H new ATOM 0 HD2 LYS A 25 -12.667 0.285 -10.002 1.00 61.22 H new ATOM 0 HD3 LYS A 25 -13.974 -0.841 -10.309 1.00 61.22 H new ATOM 0 HE2 LYS A 25 -14.403 -0.891 -7.798 1.00 34.25 H new ATOM 0 HE3 LYS A 25 -13.229 0.400 -7.632 1.00 34.25 H new ATOM 0 HZ1 LYS A 25 -15.472 1.267 -7.757 1.00 70.51 H new ATOM 0 HZ2 LYS A 25 -14.577 1.779 -9.106 1.00 70.51 H new ATOM 0 HZ3 LYS A 25 -15.715 0.528 -9.266 1.00 70.51 H new ATOM 369 N CYS A 26 -8.081 -1.014 -10.613 1.00 32.25 N ATOM 370 CA CYS A 26 -6.937 -0.164 -10.922 1.00 41.13 C ATOM 371 C CYS A 26 -7.388 1.252 -11.265 1.00 2.13 C ATOM 372 O CYS A 26 -7.859 1.513 -12.372 1.00 2.40 O ATOM 373 CB CYS A 26 -6.139 -0.754 -12.087 1.00 14.14 C ATOM 374 SG CYS A 26 -4.379 -0.286 -12.093 1.00 22.13 S ATOM 0 H CYS A 26 -8.450 -1.531 -11.411 1.00 32.25 H new ATOM 0 HA CYS A 26 -6.300 -0.118 -10.039 1.00 41.13 H new ATOM 0 HB2 CYS A 26 -6.215 -1.841 -12.052 1.00 14.14 H new ATOM 0 HB3 CYS A 26 -6.593 -0.432 -13.024 1.00 14.14 H new ATOM 379 N MET A 27 -7.240 2.163 -10.309 1.00 14.44 N ATOM 380 CA MET A 27 -7.630 3.553 -10.511 1.00 2.23 C ATOM 381 C MET A 27 -6.469 4.494 -10.204 1.00 31.21 C ATOM 382 O MET A 27 -5.725 4.285 -9.247 1.00 4.41 O ATOM 383 CB MET A 27 -8.831 3.901 -9.628 1.00 42.02 C ATOM 384 CG MET A 27 -8.656 3.489 -8.174 1.00 64.14 C ATOM 385 SD MET A 27 -10.039 4.001 -7.138 1.00 13.43 S ATOM 386 CE MET A 27 -10.738 2.411 -6.698 1.00 12.31 C ATOM 0 H MET A 27 -6.853 1.963 -9.387 1.00 14.44 H new ATOM 0 HA MET A 27 -7.908 3.678 -11.557 1.00 2.23 H new ATOM 0 HB2 MET A 27 -9.006 4.976 -9.674 1.00 42.02 H new ATOM 0 HB3 MET A 27 -9.720 3.416 -10.030 1.00 42.02 H new ATOM 0 HG2 MET A 27 -8.546 2.406 -8.118 1.00 64.14 H new ATOM 0 HG3 MET A 27 -7.735 3.924 -7.785 1.00 64.14 H new ATOM 0 HE1 MET A 27 -11.606 2.560 -6.056 1.00 12.31 H new ATOM 0 HE2 MET A 27 -11.042 1.884 -7.603 1.00 12.31 H new ATOM 0 HE3 MET A 27 -9.992 1.820 -6.168 1.00 12.31 H new ATOM 396 N ASN A 28 -6.321 5.530 -11.023 1.00 52.54 N ATOM 397 CA ASN A 28 -5.249 6.501 -10.839 1.00 2.02 C ATOM 398 C ASN A 28 -3.883 5.828 -10.921 1.00 30.13 C ATOM 399 O ASN A 28 -2.949 6.204 -10.213 1.00 54.41 O ATOM 400 CB ASN A 28 -5.401 7.211 -9.492 1.00 14.20 C ATOM 401 CG ASN A 28 -6.770 7.842 -9.322 1.00 24.05 C ATOM 402 OD1 ASN A 28 -7.601 7.353 -8.559 1.00 41.04 O ATOM 403 ND2 ASN A 28 -7.008 8.937 -10.037 1.00 74.35 N ATOM 0 H ASN A 28 -6.929 5.719 -11.820 1.00 52.54 H new ATOM 0 HA ASN A 28 -5.319 7.237 -11.640 1.00 2.02 H new ATOM 0 HB2 ASN A 28 -5.231 6.497 -8.687 1.00 14.20 H new ATOM 0 HB3 ASN A 28 -4.635 7.981 -9.402 1.00 14.20 H new ATOM 0 HD21 ASN A 28 -7.910 9.407 -9.965 1.00 74.35 H new ATOM 0 HD22 ASN A 28 -6.288 9.307 -10.658 1.00 74.35 H new ATOM 410 N GLY A 29 -3.773 4.827 -11.791 1.00 74.33 N ATOM 411 CA GLY A 29 -2.518 4.116 -11.949 1.00 71.42 C ATOM 412 C GLY A 29 -2.073 3.434 -10.670 1.00 42.04 C ATOM 413 O GLY A 29 -0.881 3.209 -10.460 1.00 24.02 O ATOM 0 H GLY A 29 -4.531 4.497 -12.388 1.00 74.33 H new ATOM 0 HA2 GLY A 29 -2.623 3.370 -12.737 1.00 71.42 H new ATOM 0 HA3 GLY A 29 -1.746 4.815 -12.272 1.00 71.42 H new ATOM 417 N LYS A 30 -3.033 3.103 -9.813 1.00 63.53 N ATOM 418 CA LYS A 30 -2.735 2.442 -8.548 1.00 43.44 C ATOM 419 C LYS A 30 -3.581 1.184 -8.380 1.00 71.13 C ATOM 420 O LYS A 30 -4.730 1.131 -8.820 1.00 11.40 O ATOM 421 CB LYS A 30 -2.985 3.398 -7.378 1.00 33.24 C ATOM 422 CG LYS A 30 -2.403 4.784 -7.592 1.00 74.01 C ATOM 423 CD LYS A 30 -1.988 5.423 -6.276 1.00 25.24 C ATOM 424 CE LYS A 30 -0.554 5.068 -5.912 1.00 11.40 C ATOM 425 NZ LYS A 30 -0.179 5.590 -4.569 1.00 10.43 N1+ ATOM 0 H LYS A 30 -4.025 3.282 -9.972 1.00 63.53 H new ATOM 0 HA LYS A 30 -1.684 2.154 -8.555 1.00 43.44 H new ATOM 0 HB2 LYS A 30 -4.059 3.485 -7.214 1.00 33.24 H new ATOM 0 HB3 LYS A 30 -2.558 2.969 -6.471 1.00 33.24 H new ATOM 0 HG2 LYS A 30 -1.540 4.719 -8.254 1.00 74.01 H new ATOM 0 HG3 LYS A 30 -3.139 5.416 -8.089 1.00 74.01 H new ATOM 0 HD2 LYS A 30 -2.089 6.506 -6.348 1.00 25.24 H new ATOM 0 HD3 LYS A 30 -2.658 5.093 -5.483 1.00 25.24 H new ATOM 0 HE2 LYS A 30 -0.432 3.985 -5.928 1.00 11.40 H new ATOM 0 HE3 LYS A 30 0.123 5.476 -6.663 1.00 11.40 H new ATOM 0 HZ1 LYS A 30 0.805 5.328 -4.357 1.00 10.43 H new ATOM 0 HZ2 LYS A 30 -0.271 6.626 -4.561 1.00 10.43 H new ATOM 0 HZ3 LYS A 30 -0.809 5.181 -3.849 1.00 10.43 H new ATOM 439 N CYS A 31 -3.006 0.172 -7.738 1.00 43.43 N ATOM 440 CA CYS A 31 -3.706 -1.086 -7.510 1.00 4.11 C ATOM 441 C CYS A 31 -4.138 -1.212 -6.052 1.00 40.43 C ATOM 442 O CYS A 31 -3.305 -1.249 -5.146 1.00 21.25 O ATOM 443 CB CYS A 31 -2.813 -2.268 -7.892 1.00 55.25 C ATOM 444 SG CYS A 31 -3.514 -3.896 -7.472 1.00 65.24 S ATOM 0 H CYS A 31 -2.056 0.199 -7.366 1.00 43.43 H new ATOM 0 HA CYS A 31 -4.597 -1.095 -8.137 1.00 4.11 H new ATOM 0 HB2 CYS A 31 -2.621 -2.233 -8.964 1.00 55.25 H new ATOM 0 HB3 CYS A 31 -1.851 -2.159 -7.392 1.00 55.25 H new ATOM 449 N LYS A 32 -5.447 -1.275 -5.832 1.00 74.21 N ATOM 450 CA LYS A 32 -5.992 -1.398 -4.484 1.00 53.14 C ATOM 451 C LYS A 32 -6.718 -2.729 -4.311 1.00 52.43 C ATOM 452 O LYS A 32 -7.882 -2.866 -4.686 1.00 3.45 O ATOM 453 CB LYS A 32 -6.950 -0.241 -4.192 1.00 62.41 C ATOM 454 CG LYS A 32 -7.471 -0.228 -2.766 1.00 24.11 C ATOM 455 CD LYS A 32 -8.763 -1.016 -2.637 1.00 63.34 C ATOM 456 CE LYS A 32 -9.601 -0.526 -1.467 1.00 71.20 C ATOM 457 NZ LYS A 32 -8.876 -0.659 -0.172 1.00 24.04 N1+ ATOM 0 H LYS A 32 -6.151 -1.243 -6.570 1.00 74.21 H new ATOM 0 HA LYS A 32 -5.162 -1.362 -3.778 1.00 53.14 H new ATOM 0 HB2 LYS A 32 -6.440 0.701 -4.392 1.00 62.41 H new ATOM 0 HB3 LYS A 32 -7.795 -0.298 -4.878 1.00 62.41 H new ATOM 0 HG2 LYS A 32 -6.719 -0.649 -2.099 1.00 24.11 H new ATOM 0 HG3 LYS A 32 -7.638 0.801 -2.448 1.00 24.11 H new ATOM 0 HD2 LYS A 32 -9.337 -0.928 -3.559 1.00 63.34 H new ATOM 0 HD3 LYS A 32 -8.534 -2.073 -2.504 1.00 63.34 H new ATOM 0 HE2 LYS A 32 -9.872 0.518 -1.626 1.00 71.20 H new ATOM 0 HE3 LYS A 32 -10.531 -1.094 -1.423 1.00 71.20 H new ATOM 0 HZ1 LYS A 32 -9.524 -0.444 0.612 1.00 24.04 H new ATOM 0 HZ2 LYS A 32 -8.521 -1.631 -0.071 1.00 24.04 H new ATOM 0 HZ3 LYS A 32 -8.076 0.005 -0.152 1.00 24.04 H new ATOM 471 N CYS A 33 -6.023 -3.706 -3.737 1.00 32.12 N ATOM 472 CA CYS A 33 -6.601 -5.025 -3.512 1.00 63.03 C ATOM 473 C CYS A 33 -7.799 -4.940 -2.571 1.00 61.42 C ATOM 474 O CYS A 33 -7.762 -4.232 -1.565 1.00 15.41 O ATOM 475 CB CYS A 33 -5.549 -5.974 -2.933 1.00 75.43 C ATOM 476 SG CYS A 33 -4.592 -6.880 -4.191 1.00 63.24 S ATOM 0 H CYS A 33 -5.059 -3.609 -3.419 1.00 32.12 H new ATOM 0 HA CYS A 33 -6.942 -5.414 -4.472 1.00 63.03 H new ATOM 0 HB2 CYS A 33 -4.861 -5.401 -2.312 1.00 75.43 H new ATOM 0 HB3 CYS A 33 -6.044 -6.693 -2.281 1.00 75.43 H new ATOM 481 N TYR A 34 -8.859 -5.668 -2.905 1.00 11.34 N ATOM 482 CA TYR A 34 -10.069 -5.675 -2.092 1.00 13.21 C ATOM 483 C TYR A 34 -10.001 -6.760 -1.022 1.00 65.13 C ATOM 484 O TYR A 34 -10.488 -6.580 0.094 1.00 3.32 O ATOM 485 CB TYR A 34 -11.301 -5.887 -2.974 1.00 53.31 C ATOM 486 CG TYR A 34 -11.682 -4.671 -3.786 1.00 31.41 C ATOM 487 CD1 TYR A 34 -12.004 -4.784 -5.133 1.00 74.15 C ATOM 488 CD2 TYR A 34 -11.720 -3.408 -3.207 1.00 73.21 C ATOM 489 CE1 TYR A 34 -12.352 -3.675 -5.879 1.00 23.02 C ATOM 490 CE2 TYR A 34 -12.068 -2.294 -3.946 1.00 71.21 C ATOM 491 CZ TYR A 34 -12.383 -2.433 -5.282 1.00 70.55 C ATOM 492 OH TYR A 34 -12.731 -1.326 -6.021 1.00 44.45 O ATOM 0 H TYR A 34 -8.904 -6.261 -3.734 1.00 11.34 H new ATOM 0 HA TYR A 34 -10.148 -4.707 -1.597 1.00 13.21 H new ATOM 0 HB2 TYR A 34 -11.114 -6.721 -3.651 1.00 53.31 H new ATOM 0 HB3 TYR A 34 -12.144 -6.171 -2.344 1.00 53.31 H new ATOM 0 HD1 TYR A 34 -11.982 -5.755 -5.605 1.00 74.15 H new ATOM 0 HD2 TYR A 34 -11.473 -3.296 -2.162 1.00 73.21 H new ATOM 0 HE1 TYR A 34 -12.599 -3.780 -6.925 1.00 23.02 H new ATOM 0 HE2 TYR A 34 -12.093 -1.320 -3.481 1.00 71.21 H new ATOM 0 HH TYR A 34 -12.705 -0.530 -5.450 1.00 44.45 H new ATOM 502 N GLY A 35 -9.391 -7.889 -1.372 1.00 60.11 N ATOM 503 CA GLY A 35 -9.269 -8.988 -0.432 1.00 31.44 C ATOM 504 C GLY A 35 -10.545 -9.798 -0.318 1.00 22.31 C ATOM 505 O GLY A 35 -11.557 -9.468 -0.938 1.00 24.14 O ATOM 0 H GLY A 35 -8.980 -8.062 -2.289 1.00 60.11 H new ATOM 0 HA2 GLY A 35 -8.455 -9.641 -0.745 1.00 31.44 H new ATOM 0 HA3 GLY A 35 -9.003 -8.595 0.549 1.00 31.44 H new ATOM 509 N CYS A 36 -10.500 -10.863 0.475 1.00 75.53 N ATOM 510 CA CYS A 36 -11.659 -11.725 0.667 1.00 65.11 C ATOM 511 C CYS A 36 -12.496 -11.254 1.852 1.00 41.33 C ATOM 512 O CYS A 36 -12.020 -11.218 2.987 1.00 10.24 O ATOM 513 CB CYS A 36 -11.215 -13.173 0.885 1.00 42.43 C ATOM 514 SG CYS A 36 -10.124 -13.820 -0.423 1.00 34.34 S ATOM 0 H CYS A 36 -9.671 -11.150 0.996 1.00 75.53 H new ATOM 0 HA CYS A 36 -12.272 -11.673 -0.233 1.00 65.11 H new ATOM 0 HB2 CYS A 36 -10.698 -13.243 1.842 1.00 42.43 H new ATOM 0 HB3 CYS A 36 -12.099 -13.807 0.953 1.00 42.43 H new ATOM 519 N VAL A 37 -13.747 -10.895 1.581 1.00 53.23 N ATOM 520 CA VAL A 37 -14.652 -10.428 2.625 1.00 44.41 C ATOM 521 C VAL A 37 -15.653 -11.512 3.010 1.00 14.31 C ATOM 522 O VAL A 37 -15.769 -12.532 2.333 1.00 1.24 O ATOM 523 CB VAL A 37 -15.420 -9.169 2.181 1.00 11.13 C ATOM 524 CG1 VAL A 37 -14.455 -8.037 1.866 1.00 21.55 C ATOM 525 CG2 VAL A 37 -16.300 -9.480 0.978 1.00 35.32 C ATOM 0 H VAL A 37 -14.157 -10.919 0.647 1.00 53.23 H new ATOM 0 HA VAL A 37 -14.037 -10.182 3.490 1.00 44.41 H new ATOM 0 HB VAL A 37 -16.062 -8.848 3.001 1.00 11.13 H new ATOM 0 HG11 VAL A 37 -15.017 -7.156 1.554 1.00 21.55 H new ATOM 0 HG12 VAL A 37 -13.871 -7.799 2.755 1.00 21.55 H new ATOM 0 HG13 VAL A 37 -13.785 -8.343 1.063 1.00 21.55 H new ATOM 0 HG21 VAL A 37 -16.836 -8.580 0.677 1.00 35.32 H new ATOM 0 HG22 VAL A 37 -15.678 -9.826 0.152 1.00 35.32 H new ATOM 0 HG23 VAL A 37 -17.017 -10.257 1.243 1.00 35.32 H new