USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 280 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 2 THR OG1 : rot 180:sc= -0.0854 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0499 X(o=-0.05,f=-0.022) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -130:sc= 1.17 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 130:sc= -0.276 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -120:sc= -0.0295 USER MOD Single : A 39 THR OG1 : rot 20:sc= 0.645 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.899 -0.162 -0.869 1.00 74.22 N ATOM 2 CA GLY A 1 2.141 0.339 -1.428 1.00 53.33 C ATOM 3 C GLY A 1 1.930 1.550 -2.315 1.00 14.24 C ATOM 4 O GLY A 1 1.201 2.475 -1.954 1.00 11.42 O ATOM 0 H1 GLY A 1 1.096 -0.989 -0.271 1.00 74.22 H new ATOM 0 H2 GLY A 1 0.452 0.581 -0.295 1.00 74.22 H new ATOM 0 H3 GLY A 1 0.258 -0.437 -1.640 1.00 74.22 H new ATOM 0 HA2 GLY A 1 2.822 0.600 -0.618 1.00 53.33 H new ATOM 0 HA3 GLY A 1 2.621 -0.451 -2.005 1.00 53.33 H new ATOM 8 N THR A 2 2.570 1.548 -3.480 1.00 20.31 N ATOM 9 CA THR A 2 2.451 2.655 -4.419 1.00 50.51 C ATOM 10 C THR A 2 1.557 2.284 -5.598 1.00 1.15 C ATOM 11 O THR A 2 1.271 1.109 -5.825 1.00 15.42 O ATOM 12 CB THR A 2 3.829 3.090 -4.952 1.00 71.11 C ATOM 13 OG1 THR A 2 4.827 2.902 -3.942 1.00 54.41 O ATOM 14 CG2 THR A 2 3.807 4.548 -5.385 1.00 55.30 C ATOM 0 H THR A 2 3.176 0.791 -3.795 1.00 20.31 H new ATOM 0 HA THR A 2 2.002 3.485 -3.873 1.00 50.51 H new ATOM 0 HB THR A 2 4.069 2.474 -5.819 1.00 71.11 H new ATOM 0 HG1 THR A 2 5.700 3.179 -4.289 1.00 54.41 H new ATOM 0 HG21 THR A 2 4.791 4.832 -5.758 1.00 55.30 H new ATOM 0 HG22 THR A 2 3.068 4.682 -6.175 1.00 55.30 H new ATOM 0 HG23 THR A 2 3.546 5.177 -4.533 1.00 55.30 H new ATOM 22 N ALA A 3 1.121 3.293 -6.344 1.00 72.02 N ATOM 23 CA ALA A 3 0.262 3.071 -7.500 1.00 50.55 C ATOM 24 C ALA A 3 1.087 2.877 -8.769 1.00 24.14 C ATOM 25 O ALA A 3 1.893 3.733 -9.134 1.00 24.40 O ATOM 26 CB ALA A 3 -0.705 4.234 -7.671 1.00 0.33 C ATOM 0 H ALA A 3 1.348 4.272 -6.169 1.00 72.02 H new ATOM 0 HA ALA A 3 -0.310 2.159 -7.326 1.00 50.55 H new ATOM 0 HB1 ALA A 3 -1.340 4.054 -8.538 1.00 0.33 H new ATOM 0 HB2 ALA A 3 -1.325 4.325 -6.779 1.00 0.33 H new ATOM 0 HB3 ALA A 3 -0.143 5.156 -7.818 1.00 0.33 H new ATOM 32 N CYS A 4 0.881 1.747 -9.435 1.00 24.42 N ATOM 33 CA CYS A 4 1.607 1.438 -10.661 1.00 74.01 C ATOM 34 C CYS A 4 0.643 1.230 -11.826 1.00 71.44 C ATOM 35 O CYS A 4 -0.570 1.144 -11.634 1.00 14.30 O ATOM 36 CB CYS A 4 2.468 0.189 -10.469 1.00 45.21 C ATOM 37 SG CYS A 4 1.588 -1.212 -9.706 1.00 55.32 S ATOM 0 H CYS A 4 0.217 1.029 -9.146 1.00 24.42 H new ATOM 0 HA CYS A 4 2.254 2.284 -10.893 1.00 74.01 H new ATOM 0 HB2 CYS A 4 2.856 -0.124 -11.438 1.00 45.21 H new ATOM 0 HB3 CYS A 4 3.327 0.445 -9.849 1.00 45.21 H new ATOM 42 N SER A 5 1.191 1.149 -13.034 1.00 3.22 N ATOM 43 CA SER A 5 0.381 0.955 -14.230 1.00 34.30 C ATOM 44 C SER A 5 0.987 -0.120 -15.128 1.00 71.01 C ATOM 45 O SER A 5 2.205 -0.196 -15.291 1.00 10.23 O ATOM 46 CB SER A 5 0.252 2.268 -15.004 1.00 44.41 C ATOM 47 OG SER A 5 0.688 3.366 -14.222 1.00 3.53 O ATOM 0 H SER A 5 2.194 1.215 -13.210 1.00 3.22 H new ATOM 0 HA SER A 5 -0.610 0.627 -13.917 1.00 34.30 H new ATOM 0 HB2 SER A 5 0.841 2.213 -15.920 1.00 44.41 H new ATOM 0 HB3 SER A 5 -0.786 2.418 -15.301 1.00 44.41 H new ATOM 0 HG SER A 5 0.597 4.193 -14.740 1.00 3.53 H new ATOM 53 N CYS A 6 0.127 -0.950 -15.709 1.00 11.02 N ATOM 54 CA CYS A 6 0.574 -2.022 -16.590 1.00 42.41 C ATOM 55 C CYS A 6 0.333 -1.660 -18.053 1.00 63.31 C ATOM 56 O CYS A 6 0.217 -2.536 -18.909 1.00 14.51 O ATOM 57 CB CYS A 6 -0.150 -3.326 -16.250 1.00 31.30 C ATOM 58 SG CYS A 6 0.688 -4.333 -14.984 1.00 14.12 S ATOM 0 H CYS A 6 -0.884 -0.900 -15.585 1.00 11.02 H new ATOM 0 HA CYS A 6 1.645 -2.159 -16.439 1.00 42.41 H new ATOM 0 HB2 CYS A 6 -1.157 -3.091 -15.904 1.00 31.30 H new ATOM 0 HB3 CYS A 6 -0.255 -3.918 -17.159 1.00 31.30 H new ATOM 63 N GLY A 7 0.260 -0.362 -18.331 1.00 55.02 N ATOM 64 CA GLY A 7 0.033 0.093 -19.691 1.00 55.21 C ATOM 65 C GLY A 7 -1.231 0.921 -19.822 1.00 3.30 C ATOM 66 O GLY A 7 -1.169 2.123 -20.075 1.00 4.41 O ATOM 0 H GLY A 7 0.354 0.382 -17.640 1.00 55.02 H new ATOM 0 HA2 GLY A 7 0.887 0.685 -20.020 1.00 55.21 H new ATOM 0 HA3 GLY A 7 -0.031 -0.770 -20.354 1.00 55.21 H new ATOM 70 N ASN A 8 -2.379 0.275 -19.650 1.00 34.02 N ATOM 71 CA ASN A 8 -3.663 0.960 -19.753 1.00 22.01 C ATOM 72 C ASN A 8 -4.542 0.651 -18.545 1.00 75.32 C ATOM 73 O ASN A 8 -5.767 0.754 -18.614 1.00 33.44 O ATOM 74 CB ASN A 8 -4.382 0.549 -21.040 1.00 65.50 C ATOM 75 CG ASN A 8 -3.470 0.594 -22.251 1.00 31.21 C ATOM 76 OD1 ASN A 8 -3.380 1.612 -22.937 1.00 55.30 O ATOM 77 ND2 ASN A 8 -2.789 -0.513 -22.520 1.00 25.50 N ATOM 0 H ASN A 8 -2.447 -0.721 -19.439 1.00 34.02 H new ATOM 0 HA ASN A 8 -3.474 2.033 -19.778 1.00 22.01 H new ATOM 0 HB2 ASN A 8 -4.779 -0.459 -20.925 1.00 65.50 H new ATOM 0 HB3 ASN A 8 -5.233 1.210 -21.205 1.00 65.50 H new ATOM 0 HD21 ASN A 8 -2.160 -0.543 -23.323 1.00 25.50 H new ATOM 0 HD22 ASN A 8 -2.894 -1.334 -21.924 1.00 25.50 H new ATOM 84 N SER A 9 -3.909 0.272 -17.440 1.00 11.33 N ATOM 85 CA SER A 9 -4.633 -0.055 -16.218 1.00 22.12 C ATOM 86 C SER A 9 -3.789 0.260 -14.986 1.00 10.34 C ATOM 87 O SER A 9 -2.569 0.398 -15.073 1.00 2.50 O ATOM 88 CB SER A 9 -5.029 -1.533 -16.214 1.00 41.25 C ATOM 89 OG SER A 9 -6.018 -1.793 -15.233 1.00 12.12 O ATOM 0 H SER A 9 -2.896 0.184 -17.366 1.00 11.33 H new ATOM 0 HA SER A 9 -5.535 0.556 -16.185 1.00 22.12 H new ATOM 0 HB2 SER A 9 -5.405 -1.815 -17.198 1.00 41.25 H new ATOM 0 HB3 SER A 9 -4.150 -2.148 -16.021 1.00 41.25 H new ATOM 0 HG SER A 9 -6.255 -2.744 -15.252 1.00 12.12 H new ATOM 95 N LYS A 10 -4.449 0.372 -13.837 1.00 74.13 N ATOM 96 CA LYS A 10 -3.763 0.669 -12.586 1.00 44.42 C ATOM 97 C LYS A 10 -3.637 -0.583 -11.724 1.00 64.40 C ATOM 98 O LYS A 10 -4.492 -1.466 -11.766 1.00 12.32 O ATOM 99 CB LYS A 10 -4.512 1.758 -11.815 1.00 42.32 C ATOM 100 CG LYS A 10 -4.695 3.044 -12.603 1.00 41.15 C ATOM 101 CD LYS A 10 -5.850 3.871 -12.062 1.00 61.52 C ATOM 102 CE LYS A 10 -5.783 5.309 -12.552 1.00 33.10 C ATOM 103 NZ LYS A 10 -4.836 6.127 -11.746 1.00 63.52 N ATOM 0 H LYS A 10 -5.459 0.261 -13.748 1.00 74.13 H new ATOM 0 HA LYS A 10 -2.762 1.026 -12.826 1.00 44.42 H new ATOM 0 HB2 LYS A 10 -5.491 1.377 -11.524 1.00 42.32 H new ATOM 0 HB3 LYS A 10 -3.970 1.979 -10.896 1.00 42.32 H new ATOM 0 HG2 LYS A 10 -3.777 3.630 -12.563 1.00 41.15 H new ATOM 0 HG3 LYS A 10 -4.876 2.807 -13.651 1.00 41.15 H new ATOM 0 HD2 LYS A 10 -6.795 3.424 -12.371 1.00 61.52 H new ATOM 0 HD3 LYS A 10 -5.831 3.856 -10.972 1.00 61.52 H new ATOM 0 HE2 LYS A 10 -5.475 5.322 -13.597 1.00 33.10 H new ATOM 0 HE3 LYS A 10 -6.777 5.755 -12.507 1.00 33.10 H new ATOM 0 HZ1 LYS A 10 -4.819 7.100 -12.112 1.00 63.52 H new ATOM 0 HZ2 LYS A 10 -5.144 6.136 -10.753 1.00 63.52 H new ATOM 0 HZ3 LYS A 10 -3.882 5.717 -11.809 1.00 63.52 H new ATOM 117 N GLY A 11 -2.565 -0.652 -10.941 1.00 4.22 N ATOM 118 CA GLY A 11 -2.347 -1.800 -10.079 1.00 55.44 C ATOM 119 C GLY A 11 -1.644 -1.430 -8.788 1.00 63.13 C ATOM 120 O GLY A 11 -1.411 -0.251 -8.515 1.00 72.51 O ATOM 0 H GLY A 11 -1.843 0.067 -10.888 1.00 4.22 H new ATOM 0 HA2 GLY A 11 -3.306 -2.264 -9.847 1.00 55.44 H new ATOM 0 HA3 GLY A 11 -1.754 -2.543 -10.612 1.00 55.44 H new ATOM 124 N ILE A 12 -1.305 -2.438 -7.992 1.00 14.03 N ATOM 125 CA ILE A 12 -0.626 -2.212 -6.722 1.00 22.53 C ATOM 126 C ILE A 12 0.847 -2.599 -6.811 1.00 60.52 C ATOM 127 O ILE A 12 1.186 -3.698 -7.251 1.00 32.43 O ATOM 128 CB ILE A 12 -1.285 -3.008 -5.581 1.00 43.11 C ATOM 129 CG1 ILE A 12 -2.755 -2.608 -5.434 1.00 4.15 C ATOM 130 CG2 ILE A 12 -0.536 -2.782 -4.276 1.00 72.50 C ATOM 131 CD1 ILE A 12 -2.950 -1.164 -5.028 1.00 31.14 C ATOM 0 H ILE A 12 -1.489 -3.419 -8.204 1.00 14.03 H new ATOM 0 HA ILE A 12 -0.708 -1.147 -6.505 1.00 22.53 H new ATOM 0 HB ILE A 12 -1.239 -4.069 -5.824 1.00 43.11 H new ATOM 0 HG12 ILE A 12 -3.267 -2.783 -6.380 1.00 4.15 H new ATOM 0 HG13 ILE A 12 -3.226 -3.253 -4.692 1.00 4.15 H new ATOM 0 HG21 ILE A 12 -1.014 -3.351 -3.479 1.00 72.50 H new ATOM 0 HG22 ILE A 12 0.497 -3.111 -4.388 1.00 72.50 H new ATOM 0 HG23 ILE A 12 -0.554 -1.721 -4.025 1.00 72.50 H new ATOM 0 HD11 ILE A 12 -4.016 -0.951 -4.943 1.00 31.14 H new ATOM 0 HD12 ILE A 12 -2.467 -0.988 -4.067 1.00 31.14 H new ATOM 0 HD13 ILE A 12 -2.509 -0.511 -5.781 1.00 31.14 H new ATOM 143 N TYR A 13 1.718 -1.689 -6.390 1.00 62.44 N ATOM 144 CA TYR A 13 3.155 -1.934 -6.423 1.00 21.51 C ATOM 145 C TYR A 13 3.618 -2.632 -5.148 1.00 0.21 C ATOM 146 O TYR A 13 3.550 -2.065 -4.058 1.00 1.45 O ATOM 147 CB TYR A 13 3.914 -0.618 -6.602 1.00 2.10 C ATOM 148 CG TYR A 13 5.394 -0.727 -6.307 1.00 72.23 C ATOM 149 CD1 TYR A 13 6.133 -1.815 -6.755 1.00 75.42 C ATOM 150 CD2 TYR A 13 6.052 0.258 -5.583 1.00 34.23 C ATOM 151 CE1 TYR A 13 7.484 -1.920 -6.488 1.00 1.43 C ATOM 152 CE2 TYR A 13 7.403 0.163 -5.312 1.00 62.41 C ATOM 153 CZ TYR A 13 8.115 -0.928 -5.766 1.00 50.41 C ATOM 154 OH TYR A 13 9.461 -1.027 -5.499 1.00 14.24 O ATOM 0 H TYR A 13 1.454 -0.775 -6.022 1.00 62.44 H new ATOM 0 HA TYR A 13 3.367 -2.586 -7.270 1.00 21.51 H new ATOM 0 HB2 TYR A 13 3.781 -0.268 -7.626 1.00 2.10 H new ATOM 0 HB3 TYR A 13 3.476 0.136 -5.948 1.00 2.10 H new ATOM 0 HD1 TYR A 13 5.642 -2.592 -7.322 1.00 75.42 H new ATOM 0 HD2 TYR A 13 5.498 1.113 -5.226 1.00 34.23 H new ATOM 0 HE1 TYR A 13 8.043 -2.773 -6.842 1.00 1.43 H new ATOM 0 HE2 TYR A 13 7.899 0.939 -4.748 1.00 62.41 H new ATOM 0 HH TYR A 13 9.617 -0.878 -4.543 1.00 14.24 H new ATOM 164 N TRP A 14 4.089 -3.865 -5.294 1.00 63.03 N ATOM 165 CA TRP A 14 4.564 -4.641 -4.154 1.00 64.33 C ATOM 166 C TRP A 14 6.088 -4.651 -4.100 1.00 63.45 C ATOM 167 O TRP A 14 6.750 -5.080 -5.046 1.00 61.20 O ATOM 168 CB TRP A 14 4.034 -6.074 -4.231 1.00 44.21 C ATOM 169 CG TRP A 14 2.538 -6.156 -4.225 1.00 3.30 C ATOM 170 CD1 TRP A 14 1.706 -6.014 -5.299 1.00 33.32 C ATOM 171 CD2 TRP A 14 1.698 -6.394 -3.091 1.00 72.02 C ATOM 172 NE1 TRP A 14 0.398 -6.152 -4.901 1.00 1.35 N ATOM 173 CE2 TRP A 14 0.365 -6.386 -3.551 1.00 4.32 C ATOM 174 CE3 TRP A 14 1.939 -6.616 -1.733 1.00 70.30 C ATOM 175 CZ2 TRP A 14 -0.717 -6.590 -2.699 1.00 42.42 C ATOM 176 CZ3 TRP A 14 0.864 -6.818 -0.889 1.00 72.25 C ATOM 177 CH2 TRP A 14 -0.451 -6.805 -1.375 1.00 44.21 C ATOM 0 H TRP A 14 4.152 -4.349 -6.190 1.00 63.03 H new ATOM 0 HA TRP A 14 4.190 -4.171 -3.244 1.00 64.33 H new ATOM 0 HB2 TRP A 14 4.413 -6.545 -5.138 1.00 44.21 H new ATOM 0 HB3 TRP A 14 4.425 -6.644 -3.388 1.00 44.21 H new ATOM 0 HD1 TRP A 14 2.029 -5.822 -6.312 1.00 33.32 H new ATOM 0 HE1 TRP A 14 -0.417 -6.090 -5.512 1.00 1.35 H new ATOM 0 HE3 TRP A 14 2.948 -6.629 -1.349 1.00 70.30 H new ATOM 0 HZ2 TRP A 14 -1.731 -6.579 -3.071 1.00 42.42 H new ATOM 0 HZ3 TRP A 14 1.040 -6.989 0.163 1.00 72.25 H new ATOM 0 HH2 TRP A 14 -1.270 -6.968 -0.690 1.00 44.21 H new ATOM 188 N PHE A 15 6.640 -4.178 -2.988 1.00 43.35 N ATOM 189 CA PHE A 15 8.087 -4.133 -2.812 1.00 1.13 C ATOM 190 C PHE A 15 8.666 -5.540 -2.703 1.00 70.41 C ATOM 191 O PHE A 15 8.372 -6.273 -1.758 1.00 43.10 O ATOM 192 CB PHE A 15 8.444 -3.324 -1.563 1.00 22.14 C ATOM 193 CG PHE A 15 8.446 -1.839 -1.790 1.00 55.14 C ATOM 194 CD1 PHE A 15 9.440 -1.242 -2.549 1.00 31.12 C ATOM 195 CD2 PHE A 15 7.452 -1.041 -1.247 1.00 45.30 C ATOM 196 CE1 PHE A 15 9.444 0.124 -2.759 1.00 1.13 C ATOM 197 CE2 PHE A 15 7.451 0.327 -1.454 1.00 33.51 C ATOM 198 CZ PHE A 15 8.448 0.908 -2.212 1.00 41.43 C ATOM 0 H PHE A 15 6.107 -3.820 -2.195 1.00 43.35 H new ATOM 0 HA PHE A 15 8.520 -3.648 -3.687 1.00 1.13 H new ATOM 0 HB2 PHE A 15 7.734 -3.561 -0.771 1.00 22.14 H new ATOM 0 HB3 PHE A 15 9.429 -3.631 -1.210 1.00 22.14 H new ATOM 0 HD1 PHE A 15 10.220 -1.851 -2.981 1.00 31.12 H new ATOM 0 HD2 PHE A 15 6.669 -1.492 -0.655 1.00 45.30 H new ATOM 0 HE1 PHE A 15 10.226 0.578 -3.350 1.00 1.13 H new ATOM 0 HE2 PHE A 15 6.672 0.939 -1.024 1.00 33.51 H new ATOM 0 HZ PHE A 15 8.449 1.975 -2.377 1.00 41.43 H new ATOM 208 N TYR A 16 9.489 -5.911 -3.676 1.00 71.24 N ATOM 209 CA TYR A 16 10.108 -7.232 -3.693 1.00 11.33 C ATOM 210 C TYR A 16 9.060 -8.326 -3.519 1.00 31.02 C ATOM 211 O TYR A 16 9.035 -9.021 -2.503 1.00 42.24 O ATOM 212 CB TYR A 16 11.162 -7.338 -2.588 1.00 75.35 C ATOM 213 CG TYR A 16 12.258 -6.304 -2.697 1.00 64.04 C ATOM 214 CD1 TYR A 16 13.182 -6.347 -3.735 1.00 54.13 C ATOM 215 CD2 TYR A 16 12.373 -5.283 -1.761 1.00 40.24 C ATOM 216 CE1 TYR A 16 14.186 -5.405 -3.837 1.00 44.53 C ATOM 217 CE2 TYR A 16 13.374 -4.335 -1.857 1.00 72.55 C ATOM 218 CZ TYR A 16 14.278 -4.400 -2.896 1.00 60.34 C ATOM 219 OH TYR A 16 15.277 -3.459 -2.995 1.00 52.05 O ATOM 0 H TYR A 16 9.744 -5.316 -4.464 1.00 71.24 H new ATOM 0 HA TYR A 16 10.591 -7.368 -4.661 1.00 11.33 H new ATOM 0 HB2 TYR A 16 10.673 -7.236 -1.619 1.00 75.35 H new ATOM 0 HB3 TYR A 16 11.608 -8.332 -2.617 1.00 75.35 H new ATOM 0 HD1 TYR A 16 13.113 -7.131 -4.474 1.00 54.13 H new ATOM 0 HD2 TYR A 16 11.668 -5.230 -0.945 1.00 40.24 H new ATOM 0 HE1 TYR A 16 14.896 -5.454 -4.649 1.00 44.53 H new ATOM 0 HE2 TYR A 16 13.448 -3.547 -1.122 1.00 72.55 H new ATOM 0 HH TYR A 16 15.200 -2.821 -2.255 1.00 52.05 H new ATOM 229 N ARG A 17 8.196 -8.474 -4.518 1.00 0.40 N ATOM 230 CA ARG A 17 7.145 -9.483 -4.477 1.00 42.10 C ATOM 231 C ARG A 17 6.826 -9.993 -5.879 1.00 15.42 C ATOM 232 O ARG A 17 5.830 -9.610 -6.494 1.00 34.43 O ATOM 233 CB ARG A 17 5.883 -8.908 -3.832 1.00 71.51 C ATOM 234 CG ARG A 17 5.716 -9.295 -2.371 1.00 12.54 C ATOM 235 CD ARG A 17 4.443 -8.708 -1.782 1.00 35.13 C ATOM 236 NE ARG A 17 3.932 -9.511 -0.674 1.00 14.41 N ATOM 237 CZ ARG A 17 3.386 -10.712 -0.828 1.00 31.05 C ATOM 238 NH1 ARG A 17 3.282 -11.247 -2.036 1.00 70.01 N ATOM 239 NH2 ARG A 17 2.944 -11.382 0.229 1.00 2.54 N ATOM 0 H ARG A 17 8.203 -7.907 -5.366 1.00 0.40 H new ATOM 0 HA ARG A 17 7.502 -10.320 -3.878 1.00 42.10 H new ATOM 0 HB2 ARG A 17 5.908 -7.821 -3.911 1.00 71.51 H new ATOM 0 HB3 ARG A 17 5.012 -9.249 -4.391 1.00 71.51 H new ATOM 0 HG2 ARG A 17 5.693 -10.381 -2.281 1.00 12.54 H new ATOM 0 HG3 ARG A 17 6.577 -8.946 -1.800 1.00 12.54 H new ATOM 0 HD2 ARG A 17 4.638 -7.694 -1.435 1.00 35.13 H new ATOM 0 HD3 ARG A 17 3.683 -8.638 -2.560 1.00 35.13 H new ATOM 0 HE ARG A 17 3.998 -9.129 0.269 1.00 14.41 H new ATOM 0 HH11 ARG A 17 3.622 -10.736 -2.851 1.00 70.01 H new ATOM 0 HH12 ARG A 17 2.862 -12.169 -2.151 1.00 70.01 H new ATOM 0 HH21 ARG A 17 3.023 -10.975 1.161 1.00 2.54 H new ATOM 0 HH22 ARG A 17 2.525 -12.304 0.110 1.00 2.54 H new ATOM 253 N PRO A 18 7.690 -10.878 -6.398 1.00 55.25 N ATOM 254 CA PRO A 18 7.521 -11.459 -7.734 1.00 53.41 C ATOM 255 C PRO A 18 6.342 -12.424 -7.801 1.00 41.33 C ATOM 256 O PRO A 18 5.961 -12.879 -8.879 1.00 41.41 O ATOM 257 CB PRO A 18 8.836 -12.206 -7.964 1.00 64.41 C ATOM 258 CG PRO A 18 9.339 -12.520 -6.597 1.00 14.22 C ATOM 259 CD PRO A 18 8.898 -11.378 -5.722 1.00 63.24 C ATOM 0 HA PRO A 18 7.309 -10.699 -8.486 1.00 53.41 H new ATOM 0 HB2 PRO A 18 8.679 -13.114 -8.546 1.00 64.41 H new ATOM 0 HB3 PRO A 18 9.548 -11.593 -8.516 1.00 64.41 H new ATOM 0 HG2 PRO A 18 8.932 -13.466 -6.239 1.00 14.22 H new ATOM 0 HG3 PRO A 18 10.425 -12.618 -6.593 1.00 14.22 H new ATOM 0 HD2 PRO A 18 8.682 -11.710 -4.706 1.00 63.24 H new ATOM 0 HD3 PRO A 18 9.666 -10.608 -5.649 1.00 63.24 H new ATOM 267 N SER A 19 5.767 -12.731 -6.642 1.00 65.22 N ATOM 268 CA SER A 19 4.634 -13.644 -6.570 1.00 73.43 C ATOM 269 C SER A 19 3.456 -12.993 -5.849 1.00 63.12 C ATOM 270 O SER A 19 3.444 -12.892 -4.622 1.00 71.12 O ATOM 271 CB SER A 19 5.035 -14.934 -5.852 1.00 31.32 C ATOM 272 OG SER A 19 6.286 -15.409 -6.318 1.00 1.23 O ATOM 0 H SER A 19 6.068 -12.360 -5.741 1.00 65.22 H new ATOM 0 HA SER A 19 4.328 -13.884 -7.588 1.00 73.43 H new ATOM 0 HB2 SER A 19 5.088 -14.755 -4.778 1.00 31.32 H new ATOM 0 HB3 SER A 19 4.271 -15.695 -6.011 1.00 31.32 H new ATOM 0 HG SER A 19 6.521 -16.233 -5.843 1.00 1.23 H new ATOM 278 N CYS A 20 2.469 -12.553 -6.621 1.00 54.21 N ATOM 279 CA CYS A 20 1.287 -11.910 -6.060 1.00 24.40 C ATOM 280 C CYS A 20 0.570 -12.845 -5.090 1.00 15.44 C ATOM 281 O CYS A 20 0.660 -14.069 -5.186 1.00 53.44 O ATOM 282 CB CYS A 20 0.332 -11.486 -7.177 1.00 0.22 C ATOM 283 SG CYS A 20 1.061 -10.326 -8.378 1.00 63.40 S ATOM 0 H CYS A 20 2.464 -12.630 -7.638 1.00 54.21 H new ATOM 0 HA CYS A 20 1.610 -11.024 -5.513 1.00 24.40 H new ATOM 0 HB2 CYS A 20 -0.008 -12.376 -7.707 1.00 0.22 H new ATOM 0 HB3 CYS A 20 -0.549 -11.025 -6.731 1.00 0.22 H new ATOM 288 N PRO A 21 -0.161 -12.256 -4.132 1.00 12.10 N ATOM 289 CA PRO A 21 -0.909 -13.016 -3.126 1.00 60.15 C ATOM 290 C PRO A 21 -2.106 -13.748 -3.725 1.00 2.25 C ATOM 291 O PRO A 21 -2.695 -13.297 -4.707 1.00 13.41 O ATOM 292 CB PRO A 21 -1.377 -11.940 -2.144 1.00 54.52 C ATOM 293 CG PRO A 21 -1.424 -10.686 -2.948 1.00 45.13 C ATOM 294 CD PRO A 21 -0.313 -10.801 -3.957 1.00 54.10 C ATOM 0 HA PRO A 21 -0.300 -13.795 -2.667 1.00 60.15 H new ATOM 0 HB2 PRO A 21 -2.356 -12.181 -1.730 1.00 54.52 H new ATOM 0 HB3 PRO A 21 -0.690 -11.846 -1.303 1.00 54.52 H new ATOM 0 HG2 PRO A 21 -2.390 -10.574 -3.441 1.00 45.13 H new ATOM 0 HG3 PRO A 21 -1.287 -9.810 -2.314 1.00 45.13 H new ATOM 0 HD2 PRO A 21 -0.569 -10.308 -4.895 1.00 54.10 H new ATOM 0 HD3 PRO A 21 0.607 -10.341 -3.596 1.00 54.10 H new ATOM 302 N THR A 22 -2.460 -14.881 -3.126 1.00 13.02 N ATOM 303 CA THR A 22 -3.585 -15.676 -3.600 1.00 13.22 C ATOM 304 C THR A 22 -4.893 -15.208 -2.972 1.00 62.30 C ATOM 305 O THR A 22 -5.969 -15.408 -3.534 1.00 72.15 O ATOM 306 CB THR A 22 -3.387 -17.172 -3.291 1.00 22.23 C ATOM 307 OG1 THR A 22 -2.175 -17.641 -3.894 1.00 14.43 O ATOM 308 CG2 THR A 22 -4.563 -17.991 -3.800 1.00 2.12 C ATOM 0 H THR A 22 -1.983 -15.268 -2.312 1.00 13.02 H new ATOM 0 HA THR A 22 -3.634 -15.539 -4.680 1.00 13.22 H new ATOM 0 HB THR A 22 -3.324 -17.291 -2.209 1.00 22.23 H new ATOM 0 HG1 THR A 22 -2.056 -18.592 -3.691 1.00 14.43 H new ATOM 0 HG21 THR A 22 -4.400 -19.044 -3.570 1.00 2.12 H new ATOM 0 HG22 THR A 22 -5.479 -17.652 -3.317 1.00 2.12 H new ATOM 0 HG23 THR A 22 -4.654 -17.865 -4.879 1.00 2.12 H new ATOM 316 N ASP A 23 -4.792 -14.584 -1.803 1.00 63.34 N ATOM 317 CA ASP A 23 -5.967 -14.085 -1.098 1.00 72.04 C ATOM 318 C ASP A 23 -6.667 -12.999 -1.910 1.00 54.14 C ATOM 319 O ASP A 23 -7.868 -12.775 -1.761 1.00 35.13 O ATOM 320 CB ASP A 23 -5.572 -13.539 0.273 1.00 35.45 C ATOM 321 CG ASP A 23 -4.332 -12.669 0.216 1.00 62.33 C ATOM 322 OD1 ASP A 23 -3.216 -13.230 0.177 1.00 71.04 O ATOM 323 OD2 ASP A 23 -4.476 -11.429 0.209 1.00 22.15 O ATOM 0 H ASP A 23 -3.908 -14.412 -1.324 1.00 63.34 H new ATOM 0 HA ASP A 23 -6.659 -14.916 -0.963 1.00 72.04 H new ATOM 0 HB2 ASP A 23 -6.400 -12.960 0.682 1.00 35.45 H new ATOM 0 HB3 ASP A 23 -5.397 -14.371 0.955 1.00 35.45 H new ATOM 328 N ARG A 24 -5.907 -12.326 -2.768 1.00 1.20 N ATOM 329 CA ARG A 24 -6.453 -11.262 -3.601 1.00 11.32 C ATOM 330 C ARG A 24 -6.948 -11.814 -4.934 1.00 21.32 C ATOM 331 O ARG A 24 -6.796 -13.001 -5.221 1.00 35.24 O ATOM 332 CB ARG A 24 -5.397 -10.182 -3.845 1.00 31.33 C ATOM 333 CG ARG A 24 -4.848 -9.568 -2.568 1.00 12.35 C ATOM 334 CD ARG A 24 -5.630 -8.327 -2.166 1.00 23.45 C ATOM 335 NE ARG A 24 -6.865 -8.664 -1.461 1.00 62.13 N ATOM 336 CZ ARG A 24 -6.915 -8.973 -0.171 1.00 24.14 C ATOM 337 NH1 ARG A 24 -5.803 -8.989 0.554 1.00 75.42 N ATOM 338 NH2 ARG A 24 -8.077 -9.268 0.398 1.00 45.32 N ATOM 0 H ARG A 24 -4.911 -12.499 -2.904 1.00 1.20 H new ATOM 0 HA ARG A 24 -7.299 -10.821 -3.073 1.00 11.32 H new ATOM 0 HB2 ARG A 24 -4.573 -10.613 -4.414 1.00 31.33 H new ATOM 0 HB3 ARG A 24 -5.831 -9.394 -4.460 1.00 31.33 H new ATOM 0 HG2 ARG A 24 -4.889 -10.302 -1.763 1.00 12.35 H new ATOM 0 HG3 ARG A 24 -3.799 -9.308 -2.709 1.00 12.35 H new ATOM 0 HD2 ARG A 24 -5.009 -7.697 -1.529 1.00 23.45 H new ATOM 0 HD3 ARG A 24 -5.868 -7.744 -3.056 1.00 23.45 H new ATOM 0 HE ARG A 24 -7.737 -8.662 -1.990 1.00 62.13 H new ATOM 0 HH11 ARG A 24 -4.908 -8.764 0.120 1.00 75.42 H new ATOM 0 HH12 ARG A 24 -5.844 -9.227 1.545 1.00 75.42 H new ATOM 0 HH21 ARG A 24 -8.933 -9.258 -0.156 1.00 45.32 H new ATOM 0 HH22 ARG A 24 -8.114 -9.505 1.389 1.00 45.32 H new ATOM 352 N GLY A 25 -7.542 -10.945 -5.746 1.00 33.21 N ATOM 353 CA GLY A 25 -8.051 -11.365 -7.039 1.00 11.22 C ATOM 354 C GLY A 25 -7.284 -10.748 -8.191 1.00 72.54 C ATOM 355 O GLY A 25 -7.860 -10.048 -9.025 1.00 23.45 O ATOM 0 H GLY A 25 -7.680 -9.957 -5.532 1.00 33.21 H new ATOM 0 HA2 GLY A 25 -7.998 -12.451 -7.112 1.00 11.22 H new ATOM 0 HA3 GLY A 25 -9.103 -11.091 -7.119 1.00 11.22 H new ATOM 359 N TYR A 26 -5.982 -11.007 -8.239 1.00 74.40 N ATOM 360 CA TYR A 26 -5.135 -10.469 -9.297 1.00 23.24 C ATOM 361 C TYR A 26 -5.066 -11.429 -10.480 1.00 60.33 C ATOM 362 O TYR A 26 -4.903 -12.638 -10.308 1.00 51.40 O ATOM 363 CB TYR A 26 -3.727 -10.199 -8.763 1.00 11.43 C ATOM 364 CG TYR A 26 -3.693 -9.207 -7.622 1.00 2.51 C ATOM 365 CD1 TYR A 26 -4.297 -7.961 -7.740 1.00 22.04 C ATOM 366 CD2 TYR A 26 -3.056 -9.516 -6.425 1.00 55.03 C ATOM 367 CE1 TYR A 26 -4.267 -7.052 -6.700 1.00 13.11 C ATOM 368 CE2 TYR A 26 -3.023 -8.613 -5.381 1.00 11.24 C ATOM 369 CZ TYR A 26 -3.629 -7.382 -5.522 1.00 70.24 C ATOM 370 OH TYR A 26 -3.599 -6.479 -4.485 1.00 24.14 O ATOM 0 H TYR A 26 -5.490 -11.586 -7.558 1.00 74.40 H new ATOM 0 HA TYR A 26 -5.574 -9.531 -9.638 1.00 23.24 H new ATOM 0 HB2 TYR A 26 -3.287 -11.139 -8.430 1.00 11.43 H new ATOM 0 HB3 TYR A 26 -3.104 -9.826 -9.576 1.00 11.43 H new ATOM 0 HD1 TYR A 26 -4.798 -7.699 -8.660 1.00 22.04 H new ATOM 0 HD2 TYR A 26 -2.579 -10.478 -6.310 1.00 55.03 H new ATOM 0 HE1 TYR A 26 -4.741 -6.088 -6.809 1.00 13.11 H new ATOM 0 HE2 TYR A 26 -2.525 -8.870 -4.458 1.00 11.24 H new ATOM 0 HH TYR A 26 -3.888 -6.920 -3.659 1.00 24.14 H new ATOM 380 N THR A 27 -5.189 -10.881 -11.686 1.00 31.30 N ATOM 381 CA THR A 27 -5.141 -11.686 -12.900 1.00 32.34 C ATOM 382 C THR A 27 -3.810 -11.514 -13.622 1.00 13.32 C ATOM 383 O THR A 27 -3.200 -12.488 -14.061 1.00 14.21 O ATOM 384 CB THR A 27 -6.287 -11.320 -13.863 1.00 2.23 C ATOM 385 OG1 THR A 27 -6.336 -9.901 -14.047 1.00 4.44 O ATOM 386 CG2 THR A 27 -7.623 -11.812 -13.328 1.00 22.23 C ATOM 0 H THR A 27 -5.323 -9.883 -11.847 1.00 31.30 H new ATOM 0 HA THR A 27 -5.253 -12.726 -12.594 1.00 32.34 H new ATOM 0 HB THR A 27 -6.096 -11.805 -14.820 1.00 2.23 H new ATOM 0 HG1 THR A 27 -7.065 -9.676 -14.661 1.00 4.44 H new ATOM 0 HG21 THR A 27 -8.416 -11.542 -14.025 1.00 22.23 H new ATOM 0 HG22 THR A 27 -7.593 -12.896 -13.215 1.00 22.23 H new ATOM 0 HG23 THR A 27 -7.819 -11.352 -12.360 1.00 22.23 H new ATOM 394 N GLY A 28 -3.364 -10.267 -13.741 1.00 52.03 N ATOM 395 CA GLY A 28 -2.107 -9.989 -14.412 1.00 32.44 C ATOM 396 C GLY A 28 -1.093 -9.336 -13.494 1.00 2.22 C ATOM 397 O GLY A 28 -1.457 -8.740 -12.479 1.00 24.42 O ATOM 0 H GLY A 28 -3.851 -9.444 -13.385 1.00 52.03 H new ATOM 0 HA2 GLY A 28 -1.693 -10.919 -14.802 1.00 32.44 H new ATOM 0 HA3 GLY A 28 -2.291 -9.338 -15.267 1.00 32.44 H new ATOM 401 N SER A 29 0.183 -9.446 -13.849 1.00 75.54 N ATOM 402 CA SER A 29 1.253 -8.866 -13.048 1.00 10.14 C ATOM 403 C SER A 29 2.411 -8.414 -13.933 1.00 24.01 C ATOM 404 O SER A 29 2.856 -9.148 -14.816 1.00 11.41 O ATOM 405 CB SER A 29 1.751 -9.877 -12.014 1.00 20.02 C ATOM 406 OG SER A 29 2.389 -10.976 -12.642 1.00 30.01 O ATOM 0 H SER A 29 0.501 -9.932 -14.687 1.00 75.54 H new ATOM 0 HA SER A 29 0.853 -7.994 -12.530 1.00 10.14 H new ATOM 0 HB2 SER A 29 2.447 -9.390 -11.331 1.00 20.02 H new ATOM 0 HB3 SER A 29 0.913 -10.233 -11.415 1.00 20.02 H new ATOM 0 HG SER A 29 2.700 -11.607 -11.960 1.00 30.01 H new ATOM 412 N CYS A 30 2.895 -7.201 -13.688 1.00 50.44 N ATOM 413 CA CYS A 30 4.001 -6.649 -14.462 1.00 3.24 C ATOM 414 C CYS A 30 5.178 -6.301 -13.556 1.00 25.31 C ATOM 415 O CYS A 30 5.035 -5.542 -12.597 1.00 51.05 O ATOM 416 CB CYS A 30 3.545 -5.403 -15.224 1.00 41.22 C ATOM 417 SG CYS A 30 1.955 -5.600 -16.090 1.00 40.02 S ATOM 0 H CYS A 30 2.539 -6.582 -12.960 1.00 50.44 H new ATOM 0 HA CYS A 30 4.326 -7.406 -15.176 1.00 3.24 H new ATOM 0 HB2 CYS A 30 3.464 -4.572 -14.524 1.00 41.22 H new ATOM 0 HB3 CYS A 30 4.311 -5.134 -15.951 1.00 41.22 H new ATOM 422 N ARG A 31 6.342 -6.863 -13.867 1.00 4.11 N ATOM 423 CA ARG A 31 7.545 -6.614 -13.080 1.00 73.43 C ATOM 424 C ARG A 31 7.778 -5.117 -12.902 1.00 15.32 C ATOM 425 O ARG A 31 7.456 -4.319 -13.784 1.00 2.24 O ATOM 426 CB ARG A 31 8.761 -7.254 -13.753 1.00 40.23 C ATOM 427 CG ARG A 31 9.242 -6.502 -14.983 1.00 60.22 C ATOM 428 CD ARG A 31 10.592 -5.844 -14.742 1.00 62.30 C ATOM 429 NE ARG A 31 11.680 -6.576 -15.385 1.00 45.43 N ATOM 430 CZ ARG A 31 12.962 -6.251 -15.254 1.00 54.45 C ATOM 431 NH1 ARG A 31 13.313 -5.213 -14.507 1.00 64.52 N ATOM 432 NH2 ARG A 31 13.894 -6.965 -15.872 1.00 12.21 N ATOM 0 H ARG A 31 6.478 -7.493 -14.657 1.00 4.11 H new ATOM 0 HA ARG A 31 7.405 -7.062 -12.096 1.00 73.43 H new ATOM 0 HB2 ARG A 31 9.576 -7.313 -13.032 1.00 40.23 H new ATOM 0 HB3 ARG A 31 8.512 -8.277 -14.037 1.00 40.23 H new ATOM 0 HG2 ARG A 31 9.317 -7.190 -15.825 1.00 60.22 H new ATOM 0 HG3 ARG A 31 8.509 -5.742 -15.256 1.00 60.22 H new ATOM 0 HD2 ARG A 31 10.570 -4.822 -15.120 1.00 62.30 H new ATOM 0 HD3 ARG A 31 10.780 -5.783 -13.670 1.00 62.30 H new ATOM 0 HE ARG A 31 11.443 -7.380 -15.966 1.00 45.43 H new ATOM 0 HH11 ARG A 31 12.598 -4.662 -14.031 1.00 64.52 H new ATOM 0 HH12 ARG A 31 14.298 -4.966 -14.408 1.00 64.52 H new ATOM 0 HH21 ARG A 31 13.627 -7.763 -16.448 1.00 12.21 H new ATOM 0 HH22 ARG A 31 14.878 -6.715 -15.771 1.00 12.21 H new ATOM 446 N TYR A 32 8.337 -4.743 -11.758 1.00 24.01 N ATOM 447 CA TYR A 32 8.611 -3.341 -11.462 1.00 61.54 C ATOM 448 C TYR A 32 10.113 -3.084 -11.384 1.00 42.44 C ATOM 449 O TYR A 32 10.916 -4.016 -11.392 1.00 75.22 O ATOM 450 CB TYR A 32 7.944 -2.936 -10.147 1.00 32.01 C ATOM 451 CG TYR A 32 7.597 -1.466 -10.072 1.00 52.22 C ATOM 452 CD1 TYR A 32 6.534 -0.945 -10.799 1.00 60.51 C ATOM 453 CD2 TYR A 32 8.331 -0.598 -9.274 1.00 5.04 C ATOM 454 CE1 TYR A 32 6.213 0.397 -10.734 1.00 71.34 C ATOM 455 CE2 TYR A 32 8.017 0.745 -9.202 1.00 4.21 C ATOM 456 CZ TYR A 32 6.958 1.238 -9.934 1.00 34.52 C ATOM 457 OH TYR A 32 6.642 2.576 -9.866 1.00 65.32 O ATOM 0 H TYR A 32 8.610 -5.391 -11.019 1.00 24.01 H new ATOM 0 HA TYR A 32 8.199 -2.738 -12.271 1.00 61.54 H new ATOM 0 HB2 TYR A 32 7.035 -3.523 -10.015 1.00 32.01 H new ATOM 0 HB3 TYR A 32 8.608 -3.187 -9.320 1.00 32.01 H new ATOM 0 HD1 TYR A 32 5.948 -1.601 -11.426 1.00 60.51 H new ATOM 0 HD2 TYR A 32 9.162 -0.980 -8.700 1.00 5.04 H new ATOM 0 HE1 TYR A 32 5.384 0.785 -11.306 1.00 71.34 H new ATOM 0 HE2 TYR A 32 8.598 1.406 -8.576 1.00 4.21 H new ATOM 0 HH TYR A 32 7.263 3.028 -9.257 1.00 65.32 H new ATOM 467 N PHE A 33 10.485 -1.810 -11.308 1.00 0.10 N ATOM 468 CA PHE A 33 11.889 -1.427 -11.228 1.00 22.00 C ATOM 469 C PHE A 33 12.575 -2.117 -10.053 1.00 23.43 C ATOM 470 O PHE A 33 13.667 -2.670 -10.193 1.00 21.12 O ATOM 471 CB PHE A 33 12.019 0.091 -11.090 1.00 22.24 C ATOM 472 CG PHE A 33 13.320 0.631 -11.612 1.00 2.24 C ATOM 473 CD1 PHE A 33 13.473 0.927 -12.956 1.00 40.22 C ATOM 474 CD2 PHE A 33 14.390 0.843 -10.757 1.00 63.22 C ATOM 475 CE1 PHE A 33 14.669 1.425 -13.439 1.00 70.34 C ATOM 476 CE2 PHE A 33 15.588 1.340 -11.234 1.00 42.34 C ATOM 477 CZ PHE A 33 15.728 1.631 -12.578 1.00 1.20 C ATOM 0 H PHE A 33 9.833 -1.026 -11.300 1.00 0.10 H new ATOM 0 HA PHE A 33 12.379 -1.744 -12.149 1.00 22.00 H new ATOM 0 HB2 PHE A 33 11.197 0.568 -11.623 1.00 22.24 H new ATOM 0 HB3 PHE A 33 11.918 0.362 -10.039 1.00 22.24 H new ATOM 0 HD1 PHE A 33 12.648 0.767 -13.635 1.00 40.22 H new ATOM 0 HD2 PHE A 33 14.286 0.617 -9.706 1.00 63.22 H new ATOM 0 HE1 PHE A 33 14.775 1.653 -14.489 1.00 70.34 H new ATOM 0 HE2 PHE A 33 16.414 1.501 -10.557 1.00 42.34 H new ATOM 0 HZ PHE A 33 16.664 2.019 -12.953 1.00 1.20 H new ATOM 487 N LEU A 34 11.928 -2.080 -8.893 1.00 51.14 N ATOM 488 CA LEU A 34 12.475 -2.700 -7.691 1.00 60.23 C ATOM 489 C LEU A 34 11.670 -3.936 -7.302 1.00 53.02 C ATOM 490 O LEU A 34 12.233 -4.979 -6.971 1.00 55.44 O ATOM 491 CB LEU A 34 12.485 -1.699 -6.535 1.00 64.15 C ATOM 492 CG LEU A 34 13.544 -0.599 -6.609 1.00 43.13 C ATOM 493 CD1 LEU A 34 12.999 0.707 -6.053 1.00 15.10 C ATOM 494 CD2 LEU A 34 14.801 -1.016 -5.860 1.00 61.41 C ATOM 0 H LEU A 34 11.024 -1.627 -8.759 1.00 51.14 H new ATOM 0 HA LEU A 34 13.499 -3.008 -7.905 1.00 60.23 H new ATOM 0 HB2 LEU A 34 11.504 -1.228 -6.480 1.00 64.15 H new ATOM 0 HB3 LEU A 34 12.626 -2.250 -5.605 1.00 64.15 H new ATOM 0 HG LEU A 34 13.804 -0.443 -7.656 1.00 43.13 H new ATOM 0 HD11 LEU A 34 13.768 1.477 -6.114 1.00 15.10 H new ATOM 0 HD12 LEU A 34 12.129 1.015 -6.634 1.00 15.10 H new ATOM 0 HD13 LEU A 34 12.709 0.566 -5.012 1.00 15.10 H new ATOM 0 HD21 LEU A 34 15.543 -0.220 -5.924 1.00 61.41 H new ATOM 0 HD22 LEU A 34 14.557 -1.201 -4.814 1.00 61.41 H new ATOM 0 HD23 LEU A 34 15.205 -1.925 -6.305 1.00 61.41 H new ATOM 506 N GLY A 35 10.346 -3.811 -7.346 1.00 12.03 N ATOM 507 CA GLY A 35 9.485 -4.926 -6.997 1.00 14.44 C ATOM 508 C GLY A 35 8.646 -5.398 -8.168 1.00 74.10 C ATOM 509 O GLY A 35 9.165 -5.631 -9.261 1.00 12.44 O ATOM 0 H GLY A 35 9.856 -2.959 -7.617 1.00 12.03 H new ATOM 0 HA2 GLY A 35 10.095 -5.753 -6.634 1.00 14.44 H new ATOM 0 HA3 GLY A 35 8.828 -4.632 -6.178 1.00 14.44 H new ATOM 513 N THR A 36 7.344 -5.543 -7.941 1.00 23.33 N ATOM 514 CA THR A 36 6.432 -5.995 -8.984 1.00 42.21 C ATOM 515 C THR A 36 5.071 -5.321 -8.853 1.00 55.13 C ATOM 516 O THR A 36 4.699 -4.855 -7.776 1.00 54.53 O ATOM 517 CB THR A 36 6.242 -7.523 -8.943 1.00 0.34 C ATOM 518 OG1 THR A 36 7.498 -8.167 -8.704 1.00 3.24 O ATOM 519 CG2 THR A 36 5.645 -8.030 -10.247 1.00 22.33 C ATOM 0 H THR A 36 6.898 -5.354 -7.044 1.00 23.33 H new ATOM 0 HA THR A 36 6.882 -5.719 -9.938 1.00 42.21 H new ATOM 0 HB THR A 36 5.554 -7.759 -8.132 1.00 0.34 H new ATOM 0 HG1 THR A 36 7.707 -8.765 -9.452 1.00 3.24 H new ATOM 0 HG21 THR A 36 5.520 -9.112 -10.194 1.00 22.33 H new ATOM 0 HG22 THR A 36 4.675 -7.560 -10.410 1.00 22.33 H new ATOM 0 HG23 THR A 36 6.311 -7.782 -11.073 1.00 22.33 H new ATOM 527 N CYS A 37 4.331 -5.275 -9.956 1.00 51.51 N ATOM 528 CA CYS A 37 3.009 -4.658 -9.966 1.00 43.42 C ATOM 529 C CYS A 37 1.925 -5.700 -10.221 1.00 51.43 C ATOM 530 O CYS A 37 1.914 -6.359 -11.262 1.00 13.21 O ATOM 531 CB CYS A 37 2.942 -3.563 -11.032 1.00 44.34 C ATOM 532 SG CYS A 37 1.364 -2.653 -11.066 1.00 1.54 S ATOM 0 H CYS A 37 4.624 -5.658 -10.855 1.00 51.51 H new ATOM 0 HA CYS A 37 2.836 -4.212 -8.987 1.00 43.42 H new ATOM 0 HB2 CYS A 37 3.753 -2.855 -10.862 1.00 44.34 H new ATOM 0 HB3 CYS A 37 3.111 -4.013 -12.010 1.00 44.34 H new ATOM 537 N CYS A 38 1.014 -5.844 -9.266 1.00 14.34 N ATOM 538 CA CYS A 38 -0.076 -6.805 -9.386 1.00 1.24 C ATOM 539 C CYS A 38 -1.375 -6.109 -9.783 1.00 1.54 C ATOM 540 O CYS A 38 -1.758 -5.099 -9.191 1.00 41.33 O ATOM 541 CB CYS A 38 -0.270 -7.556 -8.066 1.00 51.34 C ATOM 542 SG CYS A 38 1.184 -8.519 -7.538 1.00 74.24 S ATOM 0 H CYS A 38 1.008 -5.307 -8.399 1.00 14.34 H new ATOM 0 HA CYS A 38 0.187 -7.518 -10.167 1.00 1.24 H new ATOM 0 HB2 CYS A 38 -0.520 -6.838 -7.285 1.00 51.34 H new ATOM 0 HB3 CYS A 38 -1.122 -8.229 -8.165 1.00 51.34 H new ATOM 547 N THR A 39 -2.049 -6.656 -10.790 1.00 31.31 N ATOM 548 CA THR A 39 -3.303 -6.088 -11.267 1.00 11.01 C ATOM 549 C THR A 39 -4.396 -7.149 -11.336 1.00 62.11 C ATOM 550 O THR A 39 -4.127 -8.348 -11.409 1.00 24.33 O ATOM 551 CB THR A 39 -3.137 -5.448 -12.658 1.00 50.02 C ATOM 552 OG1 THR A 39 -2.206 -6.206 -13.438 1.00 24.13 O ATOM 553 CG2 THR A 39 -2.654 -4.010 -12.538 1.00 31.45 C ATOM 0 H THR A 39 -1.747 -7.492 -11.291 1.00 31.31 H new ATOM 0 HA THR A 39 -3.592 -5.317 -10.553 1.00 11.01 H new ATOM 0 HB THR A 39 -4.109 -5.448 -13.152 1.00 50.02 H new ATOM 0 HG1 THR A 39 -2.127 -7.109 -13.066 1.00 24.13 H new ATOM 0 HG21 THR A 39 -2.544 -3.579 -13.533 1.00 31.45 H new ATOM 0 HG22 THR A 39 -3.379 -3.429 -11.969 1.00 31.45 H new ATOM 0 HG23 THR A 39 -1.692 -3.991 -12.026 1.00 31.45 H new ATOM 561 N PRO A 40 -5.660 -6.700 -11.314 1.00 65.23 N ATOM 562 CA PRO A 40 -5.993 -5.275 -11.228 1.00 24.05 C ATOM 563 C PRO A 40 -5.655 -4.682 -9.864 1.00 22.43 C ATOM 564 O PRO A 40 -5.267 -5.401 -8.943 1.00 34.42 O ATOM 565 CB PRO A 40 -7.505 -5.249 -11.462 1.00 53.24 C ATOM 566 CG PRO A 40 -7.977 -6.597 -11.040 1.00 2.30 C ATOM 567 CD PRO A 40 -6.862 -7.549 -11.371 1.00 71.34 C ATOM 0 HA PRO A 40 -5.427 -4.680 -11.945 1.00 24.05 H new ATOM 0 HB2 PRO A 40 -7.982 -4.462 -10.878 1.00 53.24 H new ATOM 0 HB3 PRO A 40 -7.740 -5.057 -12.509 1.00 53.24 H new ATOM 0 HG2 PRO A 40 -8.202 -6.615 -9.974 1.00 2.30 H new ATOM 0 HG3 PRO A 40 -8.893 -6.871 -11.564 1.00 2.30 H new ATOM 0 HD2 PRO A 40 -6.809 -8.370 -10.656 1.00 71.34 H new ATOM 0 HD3 PRO A 40 -6.993 -7.994 -12.357 1.00 71.34 H new ATOM 575 N ALA A 41 -5.805 -3.368 -9.741 1.00 30.32 N ATOM 576 CA ALA A 41 -5.518 -2.680 -8.488 1.00 10.51 C ATOM 577 C ALA A 41 -6.560 -3.017 -7.426 1.00 45.45 C ATOM 578 O ALA A 41 -7.691 -2.534 -7.477 1.00 51.24 O ATOM 579 CB ALA A 41 -5.459 -1.176 -8.714 1.00 24.43 C ATOM 0 H ALA A 41 -6.124 -2.758 -10.494 1.00 30.32 H new ATOM 0 HA ALA A 41 -4.547 -3.021 -8.128 1.00 10.51 H new ATOM 0 HB1 ALA A 41 -5.244 -0.674 -7.770 1.00 24.43 H new ATOM 0 HB2 ALA A 41 -4.673 -0.947 -9.434 1.00 24.43 H new ATOM 0 HB3 ALA A 41 -6.417 -0.828 -9.100 1.00 24.43 H new ATOM 585 N ASP A 42 -6.170 -3.847 -6.466 1.00 13.34 N ATOM 586 CA ASP A 42 -7.070 -4.248 -5.390 1.00 41.20 C ATOM 587 C ASP A 42 -6.775 -3.466 -4.114 1.00 61.11 C ATOM 588 O ASP A 42 -5.724 -3.641 -3.497 1.00 23.31 O ATOM 589 CB ASP A 42 -6.944 -5.749 -5.124 1.00 73.21 C ATOM 590 CG ASP A 42 -7.464 -6.587 -6.277 1.00 45.13 C ATOM 591 OD1 ASP A 42 -7.607 -6.040 -7.391 1.00 42.11 O ATOM 592 OD2 ASP A 42 -7.725 -7.789 -6.066 1.00 4.24 O ATOM 0 H ASP A 42 -5.237 -4.256 -6.410 1.00 13.34 H new ATOM 0 HA ASP A 42 -8.091 -4.026 -5.702 1.00 41.20 H new ATOM 0 HB2 ASP A 42 -5.898 -5.996 -4.942 1.00 73.21 H new ATOM 0 HB3 ASP A 42 -7.494 -6.002 -4.218 1.00 73.21 H new TER 597 ASP A 42