USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 636 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 Set 1.1: A 94 CYS SG : rot 105:sc= 1.53 USER MOD Set 1.2: A 101 CYS SG : rot 179:sc= 0.748 USER MOD Set 2.1: A 63 THR OG1 : rot 180:sc= -0.713 USER MOD Set 2.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= -1.18 USER MOD Set 3.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -32:sc= 0.194 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -164:sc= -0.0861 (180deg=-0.478) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -17:sc= 0.19 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0193 X(o=-0.019,f=-0.41) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.876 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 124:sc= 0.783 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 58 SER OG : rot 46:sc= 0.071 USER MOD Single : A 61 HIS : no HE2:sc= -1.57 X(o=-1.6,f=-1.5) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 70 ASN : amide:sc= -2.19 K(o=-2.2,f=-3.3) USER MOD Single : A 72 THR OG1 : rot 51:sc= 1.23 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.91 K(o=-1.9,f=-3.6!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.12 K(o=-1.1,f=-1.7!) USER MOD Single : A 95 LYS NZ :NH3+ -150:sc= -0.198 (180deg=-0.746) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 5 -17.519 14.831 20.921 1.00 24.13 N ATOM 47 CA THR A 5 -17.821 13.464 21.327 1.00 1.24 C ATOM 48 C THR A 5 -17.908 12.539 20.118 1.00 74.11 C ATOM 49 O THR A 5 -18.165 12.984 19.000 1.00 74.44 O ATOM 50 CB THR A 5 -19.144 13.390 22.111 1.00 74.53 C ATOM 51 OG1 THR A 5 -20.171 14.097 21.408 1.00 25.21 O ATOM 52 CG2 THR A 5 -18.980 13.977 23.506 1.00 2.32 C ATOM 0 HA THR A 5 -17.006 13.139 21.973 1.00 1.24 H new ATOM 0 HB THR A 5 -19.426 12.341 22.206 1.00 74.53 H new ATOM 0 HG1 THR A 5 -19.776 14.854 20.927 1.00 25.21 H new ATOM 0 HG21 THR A 5 -19.928 13.914 24.041 1.00 2.32 H new ATOM 0 HG22 THR A 5 -18.219 13.417 24.049 1.00 2.32 H new ATOM 0 HG23 THR A 5 -18.676 15.021 23.428 1.00 2.32 H new ATOM 60 N ALA A 6 -17.691 11.248 20.351 1.00 12.24 N ATOM 61 CA ALA A 6 -17.748 10.259 19.281 1.00 50.34 C ATOM 62 C ALA A 6 -18.280 8.925 19.794 1.00 52.30 C ATOM 63 O ALA A 6 -18.320 8.684 21.001 1.00 60.22 O ATOM 64 CB ALA A 6 -16.372 10.077 18.658 1.00 73.13 C ATOM 0 H ALA A 6 -17.474 10.863 21.270 1.00 12.24 H new ATOM 0 HA ALA A 6 -18.435 10.624 18.518 1.00 50.34 H new ATOM 0 HB1 ALA A 6 -16.429 9.336 17.861 1.00 73.13 H new ATOM 0 HB2 ALA A 6 -16.030 11.027 18.247 1.00 73.13 H new ATOM 0 HB3 ALA A 6 -15.670 9.738 19.419 1.00 73.13 H new ATOM 70 N THR A 7 -18.688 8.061 18.869 1.00 63.43 N ATOM 71 CA THR A 7 -19.219 6.753 19.228 1.00 32.20 C ATOM 72 C THR A 7 -18.868 5.709 18.174 1.00 32.52 C ATOM 73 O THR A 7 -18.772 6.019 16.987 1.00 32.33 O ATOM 74 CB THR A 7 -20.750 6.796 19.403 1.00 15.54 C ATOM 75 OG1 THR A 7 -21.225 8.135 19.229 1.00 53.24 O ATOM 76 CG2 THR A 7 -21.153 6.283 20.776 1.00 13.32 C ATOM 0 H THR A 7 -18.660 8.244 17.866 1.00 63.43 H new ATOM 0 HA THR A 7 -18.760 6.475 20.177 1.00 32.20 H new ATOM 0 HB THR A 7 -21.198 6.151 18.647 1.00 15.54 H new ATOM 0 HG1 THR A 7 -22.199 8.154 19.340 1.00 53.24 H new ATOM 0 HG21 THR A 7 -22.238 6.323 20.875 1.00 13.32 H new ATOM 0 HG22 THR A 7 -20.816 5.253 20.893 1.00 13.32 H new ATOM 0 HG23 THR A 7 -20.695 6.904 21.545 1.00 13.32 H new ATOM 84 N PHE A 8 -18.677 4.470 18.616 1.00 44.24 N ATOM 85 CA PHE A 8 -18.336 3.379 17.710 1.00 51.33 C ATOM 86 C PHE A 8 -19.595 2.724 17.149 1.00 50.53 C ATOM 87 O PHE A 8 -20.618 2.638 17.828 1.00 55.41 O ATOM 88 CB PHE A 8 -17.482 2.335 18.433 1.00 64.53 C ATOM 89 CG PHE A 8 -17.173 1.129 17.594 1.00 51.43 C ATOM 90 CD1 PHE A 8 -16.289 1.218 16.531 1.00 10.34 C ATOM 91 CD2 PHE A 8 -17.765 -0.094 17.868 1.00 53.44 C ATOM 92 CE1 PHE A 8 -16.001 0.109 15.756 1.00 11.54 C ATOM 93 CE2 PHE A 8 -17.480 -1.205 17.098 1.00 12.44 C ATOM 94 CZ PHE A 8 -16.598 -1.103 16.039 1.00 71.32 C ATOM 0 H PHE A 8 -18.753 4.197 19.596 1.00 44.24 H new ATOM 0 HA PHE A 8 -17.764 3.794 16.880 1.00 51.33 H new ATOM 0 HB2 PHE A 8 -16.547 2.798 18.749 1.00 64.53 H new ATOM 0 HB3 PHE A 8 -18.001 2.016 19.337 1.00 64.53 H new ATOM 0 HD1 PHE A 8 -15.819 2.164 16.305 1.00 10.34 H new ATOM 0 HD2 PHE A 8 -18.457 -0.179 18.693 1.00 53.44 H new ATOM 0 HE1 PHE A 8 -15.310 0.191 14.930 1.00 11.54 H new ATOM 0 HE2 PHE A 8 -17.946 -2.153 17.324 1.00 12.44 H new ATOM 0 HZ PHE A 8 -16.376 -1.970 15.434 1.00 71.32 H new ATOM 104 N ALA A 9 -19.511 2.265 15.905 1.00 45.23 N ATOM 105 CA ALA A 9 -20.641 1.617 15.252 1.00 41.02 C ATOM 106 C ALA A 9 -20.177 0.471 14.359 1.00 52.13 C ATOM 107 O ALA A 9 -19.017 0.419 13.952 1.00 41.40 O ATOM 108 CB ALA A 9 -21.435 2.632 14.442 1.00 22.14 C ATOM 0 H ALA A 9 -18.672 2.330 15.329 1.00 45.23 H new ATOM 0 HA ALA A 9 -21.286 1.201 16.026 1.00 41.02 H new ATOM 0 HB1 ALA A 9 -22.276 2.134 13.959 1.00 22.14 H new ATOM 0 HB2 ALA A 9 -21.807 3.414 15.103 1.00 22.14 H new ATOM 0 HB3 ALA A 9 -20.791 3.075 13.682 1.00 22.14 H new ATOM 114 N LYS A 10 -21.091 -0.445 14.059 1.00 54.01 N ATOM 115 CA LYS A 10 -20.776 -1.591 13.214 1.00 15.44 C ATOM 116 C LYS A 10 -21.355 -1.411 11.814 1.00 22.41 C ATOM 117 O LYS A 10 -22.317 -0.665 11.620 1.00 75.35 O ATOM 118 CB LYS A 10 -21.318 -2.877 13.841 1.00 35.01 C ATOM 119 CG LYS A 10 -20.253 -3.717 14.525 1.00 0.01 C ATOM 120 CD LYS A 10 -19.292 -4.327 13.519 1.00 3.15 C ATOM 121 CE LYS A 10 -19.998 -5.317 12.604 1.00 33.35 C ATOM 122 NZ LYS A 10 -20.724 -6.365 13.374 1.00 61.14 N ATOM 0 H LYS A 10 -22.056 -0.416 14.388 1.00 54.01 H new ATOM 0 HA LYS A 10 -19.691 -1.663 13.132 1.00 15.44 H new ATOM 0 HB2 LYS A 10 -22.088 -2.620 14.568 1.00 35.01 H new ATOM 0 HB3 LYS A 10 -21.798 -3.475 13.066 1.00 35.01 H new ATOM 0 HG2 LYS A 10 -19.698 -3.099 15.231 1.00 0.01 H new ATOM 0 HG3 LYS A 10 -20.729 -4.510 15.102 1.00 0.01 H new ATOM 0 HD2 LYS A 10 -18.839 -3.536 12.921 1.00 3.15 H new ATOM 0 HD3 LYS A 10 -18.482 -4.831 14.047 1.00 3.15 H new ATOM 0 HE2 LYS A 10 -20.702 -4.783 11.965 1.00 33.35 H new ATOM 0 HE3 LYS A 10 -19.267 -5.790 11.948 1.00 33.35 H new ATOM 0 HZ1 LYS A 10 -20.958 -7.159 12.744 1.00 61.14 H new ATOM 0 HZ2 LYS A 10 -20.121 -6.705 14.150 1.00 61.14 H new ATOM 0 HZ3 LYS A 10 -21.600 -5.964 13.766 1.00 61.14 H new ATOM 136 N THR A 11 -20.767 -2.100 10.841 1.00 60.32 N ATOM 137 CA THR A 11 -21.226 -2.016 9.460 1.00 73.41 C ATOM 138 C THR A 11 -21.671 -3.380 8.945 1.00 74.31 C ATOM 139 O THR A 11 -22.826 -3.561 8.561 1.00 32.13 O ATOM 140 CB THR A 11 -20.124 -1.465 8.536 1.00 32.04 C ATOM 141 OG1 THR A 11 -19.104 -0.829 9.313 1.00 51.31 O ATOM 142 CG2 THR A 11 -20.701 -0.474 7.537 1.00 4.11 C ATOM 0 H THR A 11 -19.972 -2.723 10.984 1.00 60.32 H new ATOM 0 HA THR A 11 -22.075 -1.332 9.449 1.00 73.41 H new ATOM 0 HB THR A 11 -19.691 -2.301 7.986 1.00 32.04 H new ATOM 0 HG1 THR A 11 -18.407 -0.483 8.717 1.00 51.31 H new ATOM 0 HG21 THR A 11 -19.904 -0.098 6.895 1.00 4.11 H new ATOM 0 HG22 THR A 11 -21.455 -0.970 6.926 1.00 4.11 H new ATOM 0 HG23 THR A 11 -21.158 0.358 8.073 1.00 4.11 H new ATOM 150 N SER A 12 -20.748 -4.337 8.941 1.00 53.25 N ATOM 151 CA SER A 12 -21.046 -5.684 8.470 1.00 74.25 C ATOM 152 C SER A 12 -19.818 -6.582 8.583 1.00 12.33 C ATOM 153 O SER A 12 -18.686 -6.130 8.405 1.00 61.41 O ATOM 154 CB SER A 12 -21.531 -5.644 7.020 1.00 24.21 C ATOM 155 OG SER A 12 -22.827 -6.208 6.901 1.00 32.24 O ATOM 0 H SER A 12 -19.788 -4.204 9.259 1.00 53.25 H new ATOM 0 HA SER A 12 -21.836 -6.096 9.098 1.00 74.25 H new ATOM 0 HB2 SER A 12 -21.545 -4.613 6.666 1.00 24.21 H new ATOM 0 HB3 SER A 12 -20.833 -6.190 6.384 1.00 24.21 H new ATOM 0 HG SER A 12 -23.116 -6.169 5.965 1.00 32.24 H new ATOM 161 N ASP A 13 -20.050 -7.856 8.879 1.00 12.24 N ATOM 162 CA ASP A 13 -18.964 -8.820 9.014 1.00 52.12 C ATOM 163 C ASP A 13 -19.084 -9.925 7.970 1.00 63.41 C ATOM 164 O ASP A 13 -20.129 -10.562 7.844 1.00 64.45 O ATOM 165 CB ASP A 13 -18.963 -9.426 10.418 1.00 71.32 C ATOM 166 CG ASP A 13 -18.165 -10.713 10.493 1.00 23.22 C ATOM 167 OD1 ASP A 13 -18.682 -11.757 10.045 1.00 15.34 O ATOM 168 OD2 ASP A 13 -17.025 -10.676 11.001 1.00 74.24 O ATOM 0 H ASP A 13 -20.981 -8.245 9.030 1.00 12.24 H new ATOM 0 HA ASP A 13 -18.023 -8.294 8.853 1.00 52.12 H new ATOM 0 HB2 ASP A 13 -18.549 -8.704 11.122 1.00 71.32 H new ATOM 0 HB3 ASP A 13 -19.990 -9.620 10.727 1.00 71.32 H new ATOM 173 N TRP A 14 -18.009 -10.146 7.222 1.00 75.45 N ATOM 174 CA TRP A 14 -17.995 -11.173 6.187 1.00 73.35 C ATOM 175 C TRP A 14 -17.068 -12.321 6.573 1.00 53.33 C ATOM 176 O TRP A 14 -15.897 -12.339 6.196 1.00 0.14 O ATOM 177 CB TRP A 14 -17.556 -10.574 4.850 1.00 72.50 C ATOM 178 CG TRP A 14 -16.338 -9.707 4.960 1.00 34.04 C ATOM 179 CD1 TRP A 14 -15.052 -10.060 4.666 1.00 74.15 C ATOM 180 CD2 TRP A 14 -16.293 -8.343 5.394 1.00 21.43 C ATOM 181 NE1 TRP A 14 -14.210 -8.998 4.892 1.00 72.31 N ATOM 182 CE2 TRP A 14 -14.946 -7.933 5.338 1.00 23.40 C ATOM 183 CE3 TRP A 14 -17.258 -7.429 5.822 1.00 45.35 C ATOM 184 CZ2 TRP A 14 -14.545 -6.649 5.696 1.00 11.11 C ATOM 185 CZ3 TRP A 14 -16.858 -6.155 6.177 1.00 23.13 C ATOM 186 CH2 TRP A 14 -15.511 -5.774 6.111 1.00 64.53 C ATOM 0 H TRP A 14 -17.135 -9.627 7.313 1.00 75.45 H new ATOM 0 HA TRP A 14 -19.007 -11.565 6.086 1.00 73.35 H new ATOM 0 HB2 TRP A 14 -17.356 -11.382 4.146 1.00 72.50 H new ATOM 0 HB3 TRP A 14 -18.376 -9.986 4.436 1.00 72.50 H new ATOM 0 HD1 TRP A 14 -14.742 -11.031 4.308 1.00 74.15 H new ATOM 0 HE1 TRP A 14 -13.200 -9.002 4.750 1.00 72.31 H new ATOM 0 HE3 TRP A 14 -18.299 -7.713 5.875 1.00 45.35 H new ATOM 0 HZ2 TRP A 14 -13.507 -6.354 5.648 1.00 11.11 H new ATOM 0 HZ3 TRP A 14 -17.596 -5.441 6.511 1.00 23.13 H new ATOM 0 HH2 TRP A 14 -15.230 -4.770 6.393 1.00 64.53 H new ATOM 197 N GLY A 15 -17.600 -13.278 7.327 1.00 62.31 N ATOM 198 CA GLY A 15 -16.806 -14.417 7.750 1.00 51.24 C ATOM 199 C GLY A 15 -15.825 -14.062 8.850 1.00 74.30 C ATOM 200 O GLY A 15 -16.121 -14.228 10.035 1.00 2.35 O ATOM 0 H GLY A 15 -18.567 -13.285 7.653 1.00 62.31 H new ATOM 0 HA2 GLY A 15 -17.469 -15.209 8.100 1.00 51.24 H new ATOM 0 HA3 GLY A 15 -16.260 -14.814 6.894 1.00 51.24 H new ATOM 204 N THR A 16 -14.652 -13.575 8.461 1.00 10.41 N ATOM 205 CA THR A 16 -13.623 -13.199 9.423 1.00 52.52 C ATOM 206 C THR A 16 -13.410 -11.689 9.438 1.00 34.45 C ATOM 207 O THR A 16 -12.838 -11.143 10.380 1.00 53.14 O ATOM 208 CB THR A 16 -12.283 -13.892 9.112 1.00 43.32 C ATOM 209 OG1 THR A 16 -11.272 -13.431 10.015 1.00 13.11 O ATOM 210 CG2 THR A 16 -11.853 -13.618 7.679 1.00 14.35 C ATOM 0 H THR A 16 -14.390 -13.431 7.486 1.00 10.41 H new ATOM 0 HA THR A 16 -13.973 -13.524 10.403 1.00 52.52 H new ATOM 0 HB THR A 16 -12.417 -14.967 9.236 1.00 43.32 H new ATOM 0 HG1 THR A 16 -11.569 -12.601 10.442 1.00 13.11 H new ATOM 0 HG21 THR A 16 -10.904 -14.117 7.482 1.00 14.35 H new ATOM 0 HG22 THR A 16 -12.611 -13.996 6.993 1.00 14.35 H new ATOM 0 HG23 THR A 16 -11.735 -12.544 7.534 1.00 14.35 H new ATOM 218 N GLY A 17 -13.875 -11.020 8.388 1.00 42.34 N ATOM 219 CA GLY A 17 -13.726 -9.579 8.301 1.00 62.34 C ATOM 220 C GLY A 17 -14.870 -8.837 8.965 1.00 54.04 C ATOM 221 O GLY A 17 -15.993 -9.338 9.027 1.00 14.25 O ATOM 0 H GLY A 17 -14.352 -11.450 7.596 1.00 42.34 H new ATOM 0 HA2 GLY A 17 -12.786 -9.285 8.768 1.00 62.34 H new ATOM 0 HA3 GLY A 17 -13.666 -9.286 7.253 1.00 62.34 H new ATOM 225 N PHE A 18 -14.584 -7.639 9.466 1.00 74.32 N ATOM 226 CA PHE A 18 -15.596 -6.828 10.132 1.00 22.14 C ATOM 227 C PHE A 18 -15.584 -5.398 9.599 1.00 24.14 C ATOM 228 O PHE A 18 -14.569 -4.920 9.095 1.00 23.44 O ATOM 229 CB PHE A 18 -15.363 -6.823 11.644 1.00 53.33 C ATOM 230 CG PHE A 18 -14.278 -5.880 12.079 1.00 54.44 C ATOM 231 CD1 PHE A 18 -14.571 -4.561 12.389 1.00 75.41 C ATOM 232 CD2 PHE A 18 -12.965 -6.311 12.179 1.00 21.12 C ATOM 233 CE1 PHE A 18 -13.574 -3.691 12.789 1.00 10.21 C ATOM 234 CE2 PHE A 18 -11.964 -5.445 12.579 1.00 30.44 C ATOM 235 CZ PHE A 18 -12.269 -4.135 12.885 1.00 44.21 C ATOM 0 H PHE A 18 -13.660 -7.209 9.423 1.00 74.32 H new ATOM 0 HA PHE A 18 -16.572 -7.267 9.924 1.00 22.14 H new ATOM 0 HB2 PHE A 18 -16.292 -6.552 12.146 1.00 53.33 H new ATOM 0 HB3 PHE A 18 -15.108 -7.832 11.968 1.00 53.33 H new ATOM 0 HD1 PHE A 18 -15.590 -4.209 12.317 1.00 75.41 H new ATOM 0 HD2 PHE A 18 -12.720 -7.336 11.942 1.00 21.12 H new ATOM 0 HE1 PHE A 18 -13.815 -2.665 13.026 1.00 10.21 H new ATOM 0 HE2 PHE A 18 -10.944 -5.794 12.652 1.00 30.44 H new ATOM 0 HZ PHE A 18 -11.489 -3.457 13.199 1.00 44.21 H new ATOM 245 N GLY A 19 -16.723 -4.721 9.713 1.00 71.44 N ATOM 246 CA GLY A 19 -16.823 -3.353 9.238 1.00 30.51 C ATOM 247 C GLY A 19 -17.013 -2.359 10.367 1.00 1.32 C ATOM 248 O GLY A 19 -17.998 -2.424 11.101 1.00 43.40 O ATOM 0 H GLY A 19 -17.578 -5.095 10.125 1.00 71.44 H new ATOM 0 HA2 GLY A 19 -15.921 -3.098 8.682 1.00 30.51 H new ATOM 0 HA3 GLY A 19 -17.659 -3.273 8.543 1.00 30.51 H new ATOM 252 N GLY A 20 -16.065 -1.437 10.508 1.00 24.24 N ATOM 253 CA GLY A 20 -16.152 -0.440 11.559 1.00 14.35 C ATOM 254 C GLY A 20 -16.703 0.881 11.061 1.00 23.23 C ATOM 255 O GLY A 20 -16.502 1.250 9.903 1.00 33.41 O ATOM 0 H GLY A 20 -15.239 -1.363 9.914 1.00 24.24 H new ATOM 0 HA2 GLY A 20 -16.788 -0.816 12.361 1.00 14.35 H new ATOM 0 HA3 GLY A 20 -15.162 -0.279 11.986 1.00 14.35 H new ATOM 259 N SER A 21 -17.403 1.596 11.936 1.00 44.14 N ATOM 260 CA SER A 21 -17.991 2.881 11.577 1.00 72.13 C ATOM 261 C SER A 21 -17.912 3.860 12.746 1.00 22.12 C ATOM 262 O SER A 21 -18.698 3.780 13.689 1.00 70.45 O ATOM 263 CB SER A 21 -19.448 2.697 11.148 1.00 72.05 C ATOM 264 OG SER A 21 -19.596 2.885 9.752 1.00 14.31 O ATOM 0 H SER A 21 -17.577 1.307 12.899 1.00 44.14 H new ATOM 0 HA SER A 21 -17.423 3.292 10.742 1.00 72.13 H new ATOM 0 HB2 SER A 21 -19.788 1.698 11.422 1.00 72.05 H new ATOM 0 HB3 SER A 21 -20.080 3.406 11.683 1.00 72.05 H new ATOM 0 HG SER A 21 -20.536 2.760 9.503 1.00 14.31 H new ATOM 270 N TRP A 22 -16.958 4.781 12.673 1.00 61.42 N ATOM 271 CA TRP A 22 -16.777 5.775 13.725 1.00 54.41 C ATOM 272 C TRP A 22 -17.604 7.025 13.442 1.00 13.24 C ATOM 273 O TRP A 22 -17.764 7.428 12.290 1.00 1.52 O ATOM 274 CB TRP A 22 -15.298 6.147 13.854 1.00 32.42 C ATOM 275 CG TRP A 22 -14.439 5.009 14.318 1.00 53.30 C ATOM 276 CD1 TRP A 22 -13.636 4.220 13.544 1.00 30.01 C ATOM 277 CD2 TRP A 22 -14.298 4.534 15.661 1.00 24.34 C ATOM 278 NE1 TRP A 22 -13.005 3.282 14.326 1.00 32.23 N ATOM 279 CE2 TRP A 22 -13.394 3.454 15.629 1.00 43.41 C ATOM 280 CE3 TRP A 22 -14.846 4.916 16.888 1.00 24.43 C ATOM 281 CZ2 TRP A 22 -13.029 2.755 16.776 1.00 14.14 C ATOM 282 CZ3 TRP A 22 -14.483 4.221 18.026 1.00 12.00 C ATOM 283 CH2 TRP A 22 -13.581 3.151 17.964 1.00 12.54 C ATOM 0 H TRP A 22 -16.299 4.860 11.898 1.00 61.42 H new ATOM 0 HA TRP A 22 -17.120 5.340 14.664 1.00 54.41 H new ATOM 0 HB2 TRP A 22 -14.933 6.498 12.889 1.00 32.42 H new ATOM 0 HB3 TRP A 22 -15.199 6.977 14.554 1.00 32.42 H new ATOM 0 HD1 TRP A 22 -13.515 4.319 12.475 1.00 30.01 H new ATOM 0 HE1 TRP A 22 -12.353 2.573 13.991 1.00 32.23 H new ATOM 0 HE3 TRP A 22 -15.541 5.740 16.946 1.00 24.43 H new ATOM 0 HZ2 TRP A 22 -12.335 1.929 16.730 1.00 14.14 H new ATOM 0 HZ3 TRP A 22 -14.902 4.508 18.979 1.00 12.00 H new ATOM 0 HH2 TRP A 22 -13.316 2.628 18.871 1.00 12.54 H new ATOM 294 N THR A 23 -18.127 7.634 14.500 1.00 40.34 N ATOM 295 CA THR A 23 -18.939 8.837 14.365 1.00 43.45 C ATOM 296 C THR A 23 -18.325 10.004 15.131 1.00 11.53 C ATOM 297 O THR A 23 -18.124 9.928 16.343 1.00 31.15 O ATOM 298 CB THR A 23 -20.375 8.606 14.871 1.00 5.22 C ATOM 299 OG1 THR A 23 -20.964 7.496 14.183 1.00 1.32 O ATOM 300 CG2 THR A 23 -21.229 9.848 14.664 1.00 3.44 C ATOM 0 H THR A 23 -18.003 7.314 15.461 1.00 40.34 H new ATOM 0 HA THR A 23 -18.970 9.079 13.303 1.00 43.45 H new ATOM 0 HB THR A 23 -20.330 8.390 15.938 1.00 5.22 H new ATOM 0 HG1 THR A 23 -21.876 7.354 14.511 1.00 1.32 H new ATOM 0 HG21 THR A 23 -22.239 9.660 15.029 1.00 3.44 H new ATOM 0 HG22 THR A 23 -20.794 10.684 15.212 1.00 3.44 H new ATOM 0 HG23 THR A 23 -21.266 10.091 13.602 1.00 3.44 H new ATOM 308 N VAL A 24 -18.030 11.085 14.416 1.00 73.24 N ATOM 309 CA VAL A 24 -17.440 12.270 15.029 1.00 33.31 C ATOM 310 C VAL A 24 -18.378 13.466 14.926 1.00 63.43 C ATOM 311 O VAL A 24 -18.915 13.759 13.858 1.00 73.51 O ATOM 312 CB VAL A 24 -16.093 12.629 14.374 1.00 32.21 C ATOM 313 CG1 VAL A 24 -15.400 13.737 15.151 1.00 74.11 C ATOM 314 CG2 VAL A 24 -15.204 11.399 14.275 1.00 60.04 C ATOM 0 H VAL A 24 -18.190 11.165 13.412 1.00 73.24 H new ATOM 0 HA VAL A 24 -17.272 12.033 16.080 1.00 33.31 H new ATOM 0 HB VAL A 24 -16.285 12.992 13.364 1.00 32.21 H new ATOM 0 HG11 VAL A 24 -14.450 13.977 14.673 1.00 74.11 H new ATOM 0 HG12 VAL A 24 -16.034 14.624 15.164 1.00 74.11 H new ATOM 0 HG13 VAL A 24 -15.218 13.406 16.173 1.00 74.11 H new ATOM 0 HG21 VAL A 24 -14.257 11.671 13.810 1.00 60.04 H new ATOM 0 HG22 VAL A 24 -15.018 11.004 15.273 1.00 60.04 H new ATOM 0 HG23 VAL A 24 -15.700 10.639 13.671 1.00 60.04 H new ATOM 324 N LYS A 25 -18.571 14.157 16.046 1.00 25.33 N ATOM 325 CA LYS A 25 -19.444 15.324 16.084 1.00 53.40 C ATOM 326 C LYS A 25 -18.867 16.406 16.991 1.00 74.01 C ATOM 327 O LYS A 25 -18.695 16.195 18.191 1.00 32.21 O ATOM 328 CB LYS A 25 -20.841 14.928 16.568 1.00 55.01 C ATOM 329 CG LYS A 25 -21.926 15.911 16.165 1.00 14.15 C ATOM 330 CD LYS A 25 -22.679 16.437 17.374 1.00 40.13 C ATOM 331 CE LYS A 25 -24.103 16.832 17.016 1.00 4.40 C ATOM 332 NZ LYS A 25 -25.108 16.052 17.791 1.00 45.42 N ATOM 0 H LYS A 25 -18.134 13.928 16.939 1.00 25.33 H new ATOM 0 HA LYS A 25 -19.518 15.724 15.073 1.00 53.40 H new ATOM 0 HB2 LYS A 25 -21.088 13.944 16.171 1.00 55.01 H new ATOM 0 HB3 LYS A 25 -20.828 14.839 17.654 1.00 55.01 H new ATOM 0 HG2 LYS A 25 -21.480 16.744 15.622 1.00 14.15 H new ATOM 0 HG3 LYS A 25 -22.624 15.424 15.484 1.00 14.15 H new ATOM 0 HD2 LYS A 25 -22.697 15.674 18.153 1.00 40.13 H new ATOM 0 HD3 LYS A 25 -22.153 17.299 17.784 1.00 40.13 H new ATOM 0 HE2 LYS A 25 -24.243 17.896 17.207 1.00 4.40 H new ATOM 0 HE3 LYS A 25 -24.266 16.675 15.950 1.00 4.40 H new ATOM 0 HZ1 LYS A 25 -26.066 16.351 17.518 1.00 45.42 H new ATOM 0 HZ2 LYS A 25 -24.991 15.038 17.590 1.00 45.42 H new ATOM 0 HZ3 LYS A 25 -24.970 16.221 18.808 1.00 45.42 H new ATOM 346 N ASN A 26 -18.572 17.564 16.412 1.00 13.42 N ATOM 347 CA ASN A 26 -18.015 18.679 17.169 1.00 73.04 C ATOM 348 C ASN A 26 -19.021 19.821 17.276 1.00 44.40 C ATOM 349 O ASN A 26 -19.699 20.158 16.305 1.00 44.54 O ATOM 350 CB ASN A 26 -16.727 19.178 16.510 1.00 61.44 C ATOM 351 CG ASN A 26 -15.740 18.057 16.248 1.00 71.24 C ATOM 352 OD1 ASN A 26 -15.914 17.266 15.322 1.00 30.03 O ATOM 353 ND2 ASN A 26 -14.695 17.985 17.065 1.00 64.41 N ATOM 0 H ASN A 26 -18.709 17.756 15.420 1.00 13.42 H new ATOM 0 HA ASN A 26 -17.787 18.325 18.174 1.00 73.04 H new ATOM 0 HB2 ASN A 26 -16.971 19.671 15.569 1.00 61.44 H new ATOM 0 HB3 ASN A 26 -16.261 19.927 17.151 1.00 61.44 H new ATOM 0 HD21 ASN A 26 -13.997 17.252 16.937 1.00 64.41 H new ATOM 0 HD22 ASN A 26 -14.590 18.663 17.820 1.00 64.41 H new ATOM 360 N THR A 27 -19.112 20.414 18.463 1.00 3.05 N ATOM 361 CA THR A 27 -20.035 21.517 18.696 1.00 60.11 C ATOM 362 C THR A 27 -19.813 22.137 20.070 1.00 62.55 C ATOM 363 O THR A 27 -19.656 21.428 21.064 1.00 73.12 O ATOM 364 CB THR A 27 -21.501 21.057 18.584 1.00 23.35 C ATOM 365 OG1 THR A 27 -22.381 22.147 18.882 1.00 20.41 O ATOM 366 CG2 THR A 27 -21.780 19.900 19.532 1.00 14.12 C ATOM 0 H THR A 27 -18.558 20.148 19.277 1.00 3.05 H new ATOM 0 HA THR A 27 -19.837 22.263 17.926 1.00 60.11 H new ATOM 0 HB THR A 27 -21.675 20.719 17.562 1.00 23.35 H new ATOM 0 HG1 THR A 27 -23.311 21.847 18.807 1.00 20.41 H new ATOM 0 HG21 THR A 27 -22.821 19.593 19.435 1.00 14.12 H new ATOM 0 HG22 THR A 27 -21.130 19.061 19.284 1.00 14.12 H new ATOM 0 HG23 THR A 27 -21.589 20.216 20.558 1.00 14.12 H new ATOM 374 N GLY A 28 -19.802 23.466 20.121 1.00 2.05 N ATOM 375 CA GLY A 28 -19.598 24.159 21.379 1.00 65.51 C ATOM 376 C GLY A 28 -18.285 24.913 21.420 1.00 71.24 C ATOM 377 O GLY A 28 -18.262 26.123 21.648 1.00 54.34 O ATOM 0 H GLY A 28 -19.931 24.075 19.313 1.00 2.05 H new ATOM 0 HA2 GLY A 28 -20.419 24.857 21.543 1.00 65.51 H new ATOM 0 HA3 GLY A 28 -19.625 23.438 22.196 1.00 65.51 H new ATOM 381 N THR A 29 -17.186 24.198 21.201 1.00 65.23 N ATOM 382 CA THR A 29 -15.862 24.807 21.218 1.00 14.31 C ATOM 383 C THR A 29 -15.715 25.832 20.099 1.00 12.32 C ATOM 384 O THR A 29 -16.588 25.958 19.238 1.00 55.31 O ATOM 385 CB THR A 29 -14.754 23.746 21.075 1.00 2.30 C ATOM 386 OG1 THR A 29 -13.471 24.344 21.290 1.00 44.31 O ATOM 387 CG2 THR A 29 -14.795 23.103 19.696 1.00 0.20 C ATOM 0 H THR A 29 -17.187 23.196 21.010 1.00 65.23 H new ATOM 0 HA THR A 29 -15.755 25.306 22.181 1.00 14.31 H new ATOM 0 HB THR A 29 -14.924 22.973 21.824 1.00 2.30 H new ATOM 0 HG1 THR A 29 -12.773 23.662 21.199 1.00 44.31 H new ATOM 0 HG21 THR A 29 -14.004 22.357 19.619 1.00 0.20 H new ATOM 0 HG22 THR A 29 -15.762 22.623 19.547 1.00 0.20 H new ATOM 0 HG23 THR A 29 -14.649 23.868 18.933 1.00 0.20 H new ATOM 395 N THR A 30 -14.606 26.564 20.116 1.00 10.52 N ATOM 396 CA THR A 30 -14.345 27.581 19.103 1.00 35.54 C ATOM 397 C THR A 30 -14.142 26.948 17.731 1.00 43.30 C ATOM 398 O THR A 30 -14.308 25.740 17.562 1.00 75.41 O ATOM 399 CB THR A 30 -13.103 28.420 19.457 1.00 11.21 C ATOM 400 OG1 THR A 30 -11.930 27.600 19.423 1.00 30.22 O ATOM 401 CG2 THR A 30 -13.249 29.048 20.835 1.00 20.22 C ATOM 0 H THR A 30 -13.873 26.472 20.820 1.00 10.52 H new ATOM 0 HA THR A 30 -15.218 28.233 19.075 1.00 35.54 H new ATOM 0 HB THR A 30 -13.009 29.217 18.719 1.00 11.21 H new ATOM 0 HG1 THR A 30 -11.145 28.142 19.648 1.00 30.22 H new ATOM 0 HG21 THR A 30 -12.360 29.636 21.063 1.00 20.22 H new ATOM 0 HG22 THR A 30 -14.125 29.696 20.849 1.00 20.22 H new ATOM 0 HG23 THR A 30 -13.367 28.263 21.582 1.00 20.22 H new ATOM 409 N SER A 31 -13.783 27.772 16.752 1.00 62.14 N ATOM 410 CA SER A 31 -13.561 27.294 15.392 1.00 71.24 C ATOM 411 C SER A 31 -12.605 26.105 15.385 1.00 2.04 C ATOM 412 O SER A 31 -11.509 26.170 15.943 1.00 3.22 O ATOM 413 CB SER A 31 -13.001 28.419 14.519 1.00 40.00 C ATOM 414 OG SER A 31 -12.658 27.941 13.230 1.00 31.33 O ATOM 0 H SER A 31 -13.640 28.774 16.875 1.00 62.14 H new ATOM 0 HA SER A 31 -14.519 26.971 14.985 1.00 71.24 H new ATOM 0 HB2 SER A 31 -13.739 29.216 14.430 1.00 40.00 H new ATOM 0 HB3 SER A 31 -12.121 28.851 14.996 1.00 40.00 H new ATOM 0 HG SER A 31 -12.304 28.679 12.691 1.00 31.33 H new ATOM 420 N LEU A 32 -13.029 25.020 14.747 1.00 75.40 N ATOM 421 CA LEU A 32 -12.211 23.813 14.665 1.00 2.12 C ATOM 422 C LEU A 32 -11.364 23.814 13.397 1.00 45.54 C ATOM 423 O LEU A 32 -11.376 24.779 12.632 1.00 44.41 O ATOM 424 CB LEU A 32 -13.100 22.569 14.697 1.00 24.21 C ATOM 425 CG LEU A 32 -12.913 21.641 15.898 1.00 11.31 C ATOM 426 CD1 LEU A 32 -14.075 21.785 16.869 1.00 32.32 C ATOM 427 CD2 LEU A 32 -12.774 20.197 15.439 1.00 61.31 C ATOM 0 H LEU A 32 -13.933 24.950 14.279 1.00 75.40 H new ATOM 0 HA LEU A 32 -11.542 23.797 15.526 1.00 2.12 H new ATOM 0 HB2 LEU A 32 -14.141 22.890 14.670 1.00 24.21 H new ATOM 0 HB3 LEU A 32 -12.920 21.995 13.788 1.00 24.21 H new ATOM 0 HG LEU A 32 -11.997 21.926 16.415 1.00 11.31 H new ATOM 0 HD11 LEU A 32 -13.925 21.117 17.717 1.00 32.32 H new ATOM 0 HD12 LEU A 32 -14.128 22.815 17.223 1.00 32.32 H new ATOM 0 HD13 LEU A 32 -15.006 21.526 16.364 1.00 32.32 H new ATOM 0 HD21 LEU A 32 -12.642 19.551 16.307 1.00 61.31 H new ATOM 0 HD22 LEU A 32 -13.672 19.899 14.898 1.00 61.31 H new ATOM 0 HD23 LEU A 32 -11.908 20.105 14.783 1.00 61.31 H new ATOM 439 N SER A 33 -10.630 22.728 13.179 1.00 25.42 N ATOM 440 CA SER A 33 -9.776 22.604 12.004 1.00 62.11 C ATOM 441 C SER A 33 -9.807 21.180 11.458 1.00 12.20 C ATOM 442 O SER A 33 -10.071 20.963 10.276 1.00 12.54 O ATOM 443 CB SER A 33 -8.339 23.000 12.349 1.00 22.22 C ATOM 444 OG SER A 33 -7.408 22.129 11.730 1.00 20.22 O ATOM 0 H SER A 33 -10.610 21.920 13.802 1.00 25.42 H new ATOM 0 HA SER A 33 -10.156 23.277 11.235 1.00 62.11 H new ATOM 0 HB2 SER A 33 -8.153 24.025 12.027 1.00 22.22 H new ATOM 0 HB3 SER A 33 -8.201 22.976 13.430 1.00 22.22 H new ATOM 0 HG SER A 33 -6.497 22.404 11.964 1.00 20.22 H new ATOM 450 N SER A 34 -9.534 20.213 12.328 1.00 31.40 N ATOM 451 CA SER A 34 -9.526 18.809 11.932 1.00 73.44 C ATOM 452 C SER A 34 -9.828 17.907 13.126 1.00 51.04 C ATOM 453 O SER A 34 -9.765 18.341 14.277 1.00 34.01 O ATOM 454 CB SER A 34 -8.173 18.436 11.326 1.00 75.02 C ATOM 455 OG SER A 34 -7.359 17.760 12.270 1.00 45.13 O ATOM 0 H SER A 34 -9.316 20.375 13.311 1.00 31.40 H new ATOM 0 HA SER A 34 -10.304 18.663 11.182 1.00 73.44 H new ATOM 0 HB2 SER A 34 -8.325 17.802 10.452 1.00 75.02 H new ATOM 0 HB3 SER A 34 -7.665 19.337 10.982 1.00 75.02 H new ATOM 0 HG SER A 34 -6.500 17.531 11.857 1.00 45.13 H new ATOM 461 N TRP A 35 -10.155 16.652 12.843 1.00 43.50 N ATOM 462 CA TRP A 35 -10.467 15.688 13.892 1.00 0.30 C ATOM 463 C TRP A 35 -9.515 14.498 13.838 1.00 42.42 C ATOM 464 O TRP A 35 -9.352 13.866 12.794 1.00 24.24 O ATOM 465 CB TRP A 35 -11.912 15.206 13.757 1.00 65.24 C ATOM 466 CG TRP A 35 -12.283 14.824 12.356 1.00 63.23 C ATOM 467 CD1 TRP A 35 -12.755 15.653 11.378 1.00 22.44 C ATOM 468 CD2 TRP A 35 -12.215 13.517 11.777 1.00 74.43 C ATOM 469 NE1 TRP A 35 -12.985 14.939 10.227 1.00 12.03 N ATOM 470 CE2 TRP A 35 -12.660 13.626 10.446 1.00 14.44 C ATOM 471 CE3 TRP A 35 -11.818 12.264 12.254 1.00 32.20 C ATOM 472 CZ2 TRP A 35 -12.720 12.531 9.589 1.00 21.22 C ATOM 473 CZ3 TRP A 35 -11.879 11.177 11.403 1.00 50.14 C ATOM 474 CH2 TRP A 35 -12.326 11.316 10.083 1.00 12.34 C ATOM 0 H TRP A 35 -10.211 16.278 11.896 1.00 43.50 H new ATOM 0 HA TRP A 35 -10.345 16.184 14.855 1.00 0.30 H new ATOM 0 HB2 TRP A 35 -12.064 14.348 14.412 1.00 65.24 H new ATOM 0 HB3 TRP A 35 -12.583 15.993 14.101 1.00 65.24 H new ATOM 0 HD1 TRP A 35 -12.923 16.714 11.493 1.00 22.44 H new ATOM 0 HE1 TRP A 35 -13.340 15.324 9.352 1.00 12.03 H new ATOM 0 HE3 TRP A 35 -11.470 12.148 13.270 1.00 32.20 H new ATOM 0 HZ2 TRP A 35 -13.065 12.636 8.571 1.00 21.22 H new ATOM 0 HZ3 TRP A 35 -11.577 10.204 11.762 1.00 50.14 H new ATOM 0 HH2 TRP A 35 -12.361 10.448 9.442 1.00 12.34 H new ATOM 485 N THR A 36 -8.886 14.198 14.970 1.00 32.13 N ATOM 486 CA THR A 36 -7.950 13.085 15.051 1.00 35.41 C ATOM 487 C THR A 36 -8.457 12.007 16.004 1.00 54.11 C ATOM 488 O THR A 36 -8.335 12.135 17.222 1.00 34.02 O ATOM 489 CB THR A 36 -6.559 13.553 15.519 1.00 42.30 C ATOM 490 OG1 THR A 36 -6.185 14.747 14.822 1.00 71.21 O ATOM 491 CG2 THR A 36 -5.515 12.473 15.281 1.00 53.21 C ATOM 0 H THR A 36 -9.008 14.711 15.843 1.00 32.13 H new ATOM 0 HA THR A 36 -7.867 12.669 14.047 1.00 35.41 H new ATOM 0 HB THR A 36 -6.609 13.757 16.589 1.00 42.30 H new ATOM 0 HG1 THR A 36 -5.300 15.040 15.126 1.00 71.21 H new ATOM 0 HG21 THR A 36 -4.541 12.827 15.620 1.00 53.21 H new ATOM 0 HG22 THR A 36 -5.787 11.575 15.836 1.00 53.21 H new ATOM 0 HG23 THR A 36 -5.467 12.242 14.217 1.00 53.21 H new ATOM 499 N VAL A 37 -9.025 10.946 15.441 1.00 42.50 N ATOM 500 CA VAL A 37 -9.549 9.845 16.240 1.00 5.22 C ATOM 501 C VAL A 37 -8.594 8.657 16.233 1.00 1.52 C ATOM 502 O VAL A 37 -8.438 7.980 15.218 1.00 0.14 O ATOM 503 CB VAL A 37 -10.927 9.385 15.727 1.00 70.23 C ATOM 504 CG1 VAL A 37 -10.877 9.117 14.231 1.00 4.53 C ATOM 505 CG2 VAL A 37 -11.391 8.148 16.483 1.00 53.44 C ATOM 0 H VAL A 37 -9.134 10.825 14.434 1.00 42.50 H new ATOM 0 HA VAL A 37 -9.654 10.216 17.259 1.00 5.22 H new ATOM 0 HB VAL A 37 -11.647 10.184 15.905 1.00 70.23 H new ATOM 0 HG11 VAL A 37 -11.859 8.793 13.886 1.00 4.53 H new ATOM 0 HG12 VAL A 37 -10.591 10.029 13.707 1.00 4.53 H new ATOM 0 HG13 VAL A 37 -10.145 8.336 14.026 1.00 4.53 H new ATOM 0 HG21 VAL A 37 -12.366 7.837 16.108 1.00 53.44 H new ATOM 0 HG22 VAL A 37 -10.672 7.342 16.338 1.00 53.44 H new ATOM 0 HG23 VAL A 37 -11.468 8.378 17.546 1.00 53.44 H new ATOM 515 N GLU A 38 -7.956 8.410 17.373 1.00 63.34 N ATOM 516 CA GLU A 38 -7.015 7.304 17.497 1.00 20.20 C ATOM 517 C GLU A 38 -7.340 6.447 18.718 1.00 10.14 C ATOM 518 O GLU A 38 -7.694 6.966 19.777 1.00 13.34 O ATOM 519 CB GLU A 38 -5.583 7.833 17.599 1.00 33.45 C ATOM 520 CG GLU A 38 -5.343 8.712 18.814 1.00 1.42 C ATOM 521 CD GLU A 38 -5.023 10.147 18.441 1.00 22.32 C ATOM 522 OE1 GLU A 38 -4.235 10.353 17.494 1.00 73.51 O ATOM 523 OE2 GLU A 38 -5.562 11.064 19.096 1.00 40.22 O ATOM 0 H GLU A 38 -8.074 8.961 18.223 1.00 63.34 H new ATOM 0 HA GLU A 38 -7.103 6.684 16.605 1.00 20.20 H new ATOM 0 HB2 GLU A 38 -4.894 6.989 17.630 1.00 33.45 H new ATOM 0 HB3 GLU A 38 -5.350 8.401 16.699 1.00 33.45 H new ATOM 0 HG2 GLU A 38 -6.227 8.695 19.451 1.00 1.42 H new ATOM 0 HG3 GLU A 38 -4.521 8.300 19.399 1.00 1.42 H new ATOM 530 N TRP A 39 -7.220 5.134 18.561 1.00 52.41 N ATOM 531 CA TRP A 39 -7.501 4.205 19.648 1.00 71.40 C ATOM 532 C TRP A 39 -6.408 3.148 19.759 1.00 60.01 C ATOM 533 O TRP A 39 -5.526 3.062 18.903 1.00 61.53 O ATOM 534 CB TRP A 39 -8.858 3.532 19.434 1.00 21.12 C ATOM 535 CG TRP A 39 -9.560 3.993 18.192 1.00 74.10 C ATOM 536 CD1 TRP A 39 -10.662 4.796 18.124 1.00 60.12 C ATOM 537 CD2 TRP A 39 -9.207 3.676 16.841 1.00 21.23 C ATOM 538 NE1 TRP A 39 -11.016 4.998 16.812 1.00 11.11 N ATOM 539 CE2 TRP A 39 -10.139 4.322 16.005 1.00 60.12 C ATOM 540 CE3 TRP A 39 -8.194 2.911 16.256 1.00 70.05 C ATOM 541 CZ2 TRP A 39 -10.087 4.224 14.617 1.00 73.42 C ATOM 542 CZ3 TRP A 39 -8.144 2.815 14.879 1.00 30.02 C ATOM 543 CH2 TRP A 39 -9.085 3.469 14.072 1.00 10.22 C ATOM 0 H TRP A 39 -6.930 4.689 17.690 1.00 52.41 H new ATOM 0 HA TRP A 39 -7.527 4.772 20.578 1.00 71.40 H new ATOM 0 HB2 TRP A 39 -8.716 2.452 19.383 1.00 21.12 H new ATOM 0 HB3 TRP A 39 -9.494 3.730 20.297 1.00 21.12 H new ATOM 0 HD1 TRP A 39 -11.179 5.211 18.976 1.00 60.12 H new ATOM 0 HE1 TRP A 39 -11.804 5.560 16.491 1.00 11.11 H new ATOM 0 HE3 TRP A 39 -7.464 2.404 16.869 1.00 70.05 H new ATOM 0 HZ2 TRP A 39 -10.812 4.726 13.993 1.00 73.42 H new ATOM 0 HZ3 TRP A 39 -7.366 2.226 14.416 1.00 30.02 H new ATOM 0 HH2 TRP A 39 -9.018 3.375 12.998 1.00 10.22 H new ATOM 554 N ASP A 40 -6.470 2.347 20.817 1.00 64.02 N ATOM 555 CA ASP A 40 -5.485 1.295 21.038 1.00 24.41 C ATOM 556 C ASP A 40 -6.016 -0.055 20.564 1.00 22.34 C ATOM 557 O ASP A 40 -7.143 -0.437 20.881 1.00 51.33 O ATOM 558 CB ASP A 40 -5.112 1.218 22.519 1.00 61.43 C ATOM 559 CG ASP A 40 -3.702 0.708 22.736 1.00 12.21 C ATOM 560 OD1 ASP A 40 -2.748 1.472 22.476 1.00 23.24 O ATOM 561 OD2 ASP A 40 -3.550 -0.456 23.164 1.00 71.53 O ATOM 0 H ASP A 40 -7.192 2.406 21.535 1.00 64.02 H new ATOM 0 HA ASP A 40 -4.594 1.539 20.459 1.00 24.41 H new ATOM 0 HB2 ASP A 40 -5.210 2.207 22.967 1.00 61.43 H new ATOM 0 HB3 ASP A 40 -5.815 0.563 23.034 1.00 61.43 H new ATOM 566 N PHE A 41 -5.197 -0.772 19.801 1.00 62.01 N ATOM 567 CA PHE A 41 -5.585 -2.078 19.282 1.00 12.45 C ATOM 568 C PHE A 41 -4.726 -3.183 19.891 1.00 44.12 C ATOM 569 O PHE A 41 -3.849 -3.751 19.242 1.00 13.40 O ATOM 570 CB PHE A 41 -5.459 -2.102 17.757 1.00 52.21 C ATOM 571 CG PHE A 41 -6.739 -1.772 17.044 1.00 62.51 C ATOM 572 CD1 PHE A 41 -7.647 -0.885 17.598 1.00 65.14 C ATOM 573 CD2 PHE A 41 -7.035 -2.350 15.820 1.00 72.33 C ATOM 574 CE1 PHE A 41 -8.827 -0.580 16.945 1.00 32.44 C ATOM 575 CE2 PHE A 41 -8.213 -2.049 15.162 1.00 64.10 C ATOM 576 CZ PHE A 41 -9.110 -1.162 15.726 1.00 1.40 C ATOM 0 H PHE A 41 -4.261 -0.471 19.529 1.00 62.01 H new ATOM 0 HA PHE A 41 -6.624 -2.256 19.557 1.00 12.45 H new ATOM 0 HB2 PHE A 41 -4.690 -1.392 17.453 1.00 52.21 H new ATOM 0 HB3 PHE A 41 -5.122 -3.090 17.444 1.00 52.21 H new ATOM 0 HD1 PHE A 41 -7.431 -0.426 18.551 1.00 65.14 H new ATOM 0 HD2 PHE A 41 -6.337 -3.044 15.375 1.00 72.33 H new ATOM 0 HE1 PHE A 41 -9.527 0.113 17.388 1.00 32.44 H new ATOM 0 HE2 PHE A 41 -8.432 -2.506 14.208 1.00 64.10 H new ATOM 0 HZ PHE A 41 -10.031 -0.925 15.214 1.00 1.40 H new ATOM 586 N PRO A 42 -4.986 -3.495 21.170 1.00 53.31 N ATOM 587 CA PRO A 42 -4.248 -4.534 21.896 1.00 5.52 C ATOM 588 C PRO A 42 -4.568 -5.935 21.386 1.00 75.33 C ATOM 589 O PRO A 42 -3.667 -6.721 21.095 1.00 13.31 O ATOM 590 CB PRO A 42 -4.729 -4.367 23.339 1.00 41.04 C ATOM 591 CG PRO A 42 -6.077 -3.743 23.219 1.00 32.51 C ATOM 592 CD PRO A 42 -6.018 -2.859 22.004 1.00 60.32 C ATOM 0 HA PRO A 42 -3.170 -4.428 21.777 1.00 5.52 H new ATOM 0 HB2 PRO A 42 -4.781 -5.327 23.852 1.00 41.04 H new ATOM 0 HB3 PRO A 42 -4.050 -3.736 23.912 1.00 41.04 H new ATOM 0 HG2 PRO A 42 -6.851 -4.503 23.111 1.00 32.51 H new ATOM 0 HG3 PRO A 42 -6.320 -3.165 24.111 1.00 32.51 H new ATOM 0 HD2 PRO A 42 -6.979 -2.816 21.491 1.00 60.32 H new ATOM 0 HD3 PRO A 42 -5.750 -1.835 22.264 1.00 60.32 H new ATOM 600 N THR A 43 -5.856 -6.242 21.282 1.00 64.21 N ATOM 601 CA THR A 43 -6.296 -7.549 20.809 1.00 13.52 C ATOM 602 C THR A 43 -6.058 -7.699 19.311 1.00 43.52 C ATOM 603 O THR A 43 -6.168 -6.734 18.555 1.00 35.03 O ATOM 604 CB THR A 43 -7.788 -7.782 21.107 1.00 75.41 C ATOM 605 OG1 THR A 43 -8.570 -6.714 20.561 1.00 75.31 O ATOM 606 CG2 THR A 43 -8.031 -7.882 22.605 1.00 63.12 C ATOM 0 H THR A 43 -6.615 -5.603 21.519 1.00 64.21 H new ATOM 0 HA THR A 43 -5.707 -8.294 21.344 1.00 13.52 H new ATOM 0 HB THR A 43 -8.086 -8.722 20.643 1.00 75.41 H new ATOM 0 HG1 THR A 43 -9.518 -6.871 20.754 1.00 75.31 H new ATOM 0 HG21 THR A 43 -9.092 -8.047 22.791 1.00 63.12 H new ATOM 0 HG22 THR A 43 -7.458 -8.715 23.012 1.00 63.12 H new ATOM 0 HG23 THR A 43 -7.717 -6.956 23.087 1.00 63.12 H new ATOM 614 N GLY A 44 -5.734 -8.916 18.886 1.00 72.10 N ATOM 615 CA GLY A 44 -5.488 -9.171 17.478 1.00 74.14 C ATOM 616 C GLY A 44 -6.438 -8.408 16.577 1.00 31.41 C ATOM 617 O GLY A 44 -7.569 -8.838 16.348 1.00 41.51 O ATOM 0 H GLY A 44 -5.637 -9.731 19.492 1.00 72.10 H new ATOM 0 HA2 GLY A 44 -4.462 -8.895 17.236 1.00 74.14 H new ATOM 0 HA3 GLY A 44 -5.586 -10.239 17.283 1.00 74.14 H new ATOM 621 N THR A 45 -5.979 -7.270 16.063 1.00 65.30 N ATOM 622 CA THR A 45 -6.798 -6.445 15.184 1.00 72.04 C ATOM 623 C THR A 45 -5.929 -5.586 14.271 1.00 20.42 C ATOM 624 O THR A 45 -4.774 -5.300 14.586 1.00 54.12 O ATOM 625 CB THR A 45 -7.738 -5.529 15.989 1.00 62.02 C ATOM 626 OG1 THR A 45 -7.022 -4.917 17.069 1.00 4.04 O ATOM 627 CG2 THR A 45 -8.919 -6.314 16.538 1.00 23.20 C ATOM 0 H THR A 45 -5.045 -6.900 16.241 1.00 65.30 H new ATOM 0 HA THR A 45 -7.397 -7.125 14.578 1.00 72.04 H new ATOM 0 HB THR A 45 -8.115 -4.756 15.320 1.00 62.02 H new ATOM 0 HG1 THR A 45 -7.105 -3.943 17.006 1.00 4.04 H new ATOM 0 HG21 THR A 45 -9.569 -5.646 17.103 1.00 23.20 H new ATOM 0 HG22 THR A 45 -9.479 -6.753 15.713 1.00 23.20 H new ATOM 0 HG23 THR A 45 -8.556 -7.107 17.193 1.00 23.20 H new ATOM 635 N LYS A 46 -6.492 -5.177 13.140 1.00 2.03 N ATOM 636 CA LYS A 46 -5.771 -4.349 12.181 1.00 73.42 C ATOM 637 C LYS A 46 -6.692 -3.893 11.055 1.00 14.34 C ATOM 638 O LYS A 46 -7.409 -4.698 10.461 1.00 13.04 O ATOM 639 CB LYS A 46 -4.583 -5.120 11.602 1.00 72.30 C ATOM 640 CG LYS A 46 -4.928 -6.535 11.171 1.00 31.45 C ATOM 641 CD LYS A 46 -3.941 -7.061 10.143 1.00 12.33 C ATOM 642 CE LYS A 46 -2.830 -7.867 10.799 1.00 70.10 C ATOM 643 NZ LYS A 46 -3.057 -9.334 10.669 1.00 41.02 N ATOM 0 H LYS A 46 -7.447 -5.406 12.864 1.00 2.03 H new ATOM 0 HA LYS A 46 -5.403 -3.467 12.705 1.00 73.42 H new ATOM 0 HB2 LYS A 46 -4.189 -4.574 10.745 1.00 72.30 H new ATOM 0 HB3 LYS A 46 -3.788 -5.160 12.347 1.00 72.30 H new ATOM 0 HG2 LYS A 46 -4.932 -7.191 12.042 1.00 31.45 H new ATOM 0 HG3 LYS A 46 -5.935 -6.554 10.753 1.00 31.45 H new ATOM 0 HD2 LYS A 46 -4.466 -7.684 9.419 1.00 12.33 H new ATOM 0 HD3 LYS A 46 -3.509 -6.226 9.591 1.00 12.33 H new ATOM 0 HE2 LYS A 46 -1.875 -7.606 10.344 1.00 70.10 H new ATOM 0 HE3 LYS A 46 -2.764 -7.602 11.854 1.00 70.10 H new ATOM 0 HZ1 LYS A 46 -2.278 -9.848 11.129 1.00 41.02 H new ATOM 0 HZ2 LYS A 46 -3.956 -9.588 11.125 1.00 41.02 H new ATOM 0 HZ3 LYS A 46 -3.095 -9.592 9.662 1.00 41.02 H new ATOM 657 N VAL A 47 -6.667 -2.596 10.763 1.00 35.24 N ATOM 658 CA VAL A 47 -7.497 -2.034 9.705 1.00 43.24 C ATOM 659 C VAL A 47 -6.877 -2.272 8.334 1.00 12.04 C ATOM 660 O VAL A 47 -5.927 -1.593 7.942 1.00 24.22 O ATOM 661 CB VAL A 47 -7.711 -0.521 9.904 1.00 32.42 C ATOM 662 CG1 VAL A 47 -8.464 0.072 8.723 1.00 52.42 C ATOM 663 CG2 VAL A 47 -8.451 -0.254 11.206 1.00 5.13 C ATOM 0 H VAL A 47 -6.080 -1.915 11.245 1.00 35.24 H new ATOM 0 HA VAL A 47 -8.461 -2.540 9.757 1.00 43.24 H new ATOM 0 HB VAL A 47 -6.735 -0.039 9.962 1.00 32.42 H new ATOM 0 HG11 VAL A 47 -8.606 1.141 8.882 1.00 52.42 H new ATOM 0 HG12 VAL A 47 -7.891 -0.087 7.809 1.00 52.42 H new ATOM 0 HG13 VAL A 47 -9.436 -0.413 8.630 1.00 52.42 H new ATOM 0 HG21 VAL A 47 -8.593 0.820 11.330 1.00 5.13 H new ATOM 0 HG22 VAL A 47 -9.422 -0.748 11.180 1.00 5.13 H new ATOM 0 HG23 VAL A 47 -7.868 -0.642 12.042 1.00 5.13 H new ATOM 673 N THR A 48 -7.420 -3.242 7.605 1.00 30.32 N ATOM 674 CA THR A 48 -6.921 -3.572 6.276 1.00 34.11 C ATOM 675 C THR A 48 -7.359 -2.534 5.250 1.00 25.31 C ATOM 676 O THR A 48 -6.611 -2.199 4.332 1.00 74.21 O ATOM 677 CB THR A 48 -7.405 -4.962 5.823 1.00 14.12 C ATOM 678 OG1 THR A 48 -6.877 -5.265 4.527 1.00 32.15 O ATOM 679 CG2 THR A 48 -8.924 -5.019 5.783 1.00 22.53 C ATOM 0 H THR A 48 -8.207 -3.813 7.913 1.00 30.32 H new ATOM 0 HA THR A 48 -5.833 -3.578 6.340 1.00 34.11 H new ATOM 0 HB THR A 48 -7.049 -5.699 6.542 1.00 14.12 H new ATOM 0 HG1 THR A 48 -7.188 -6.151 4.246 1.00 32.15 H new ATOM 0 HG21 THR A 48 -9.243 -6.010 5.460 1.00 22.53 H new ATOM 0 HG22 THR A 48 -9.322 -4.816 6.777 1.00 22.53 H new ATOM 0 HG23 THR A 48 -9.298 -4.272 5.083 1.00 22.53 H new ATOM 687 N SER A 49 -8.578 -2.026 5.413 1.00 55.23 N ATOM 688 CA SER A 49 -9.117 -1.027 4.498 1.00 53.12 C ATOM 689 C SER A 49 -9.698 0.155 5.267 1.00 2.00 C ATOM 690 O SER A 49 -10.171 0.006 6.393 1.00 31.12 O ATOM 691 CB SER A 49 -10.194 -1.650 3.607 1.00 21.11 C ATOM 692 OG SER A 49 -9.726 -1.812 2.279 1.00 62.15 O ATOM 0 H SER A 49 -9.209 -2.290 6.169 1.00 55.23 H new ATOM 0 HA SER A 49 -8.302 -0.665 3.871 1.00 53.12 H new ATOM 0 HB2 SER A 49 -10.491 -2.618 4.012 1.00 21.11 H new ATOM 0 HB3 SER A 49 -11.082 -1.018 3.608 1.00 21.11 H new ATOM 0 HG SER A 49 -10.432 -2.213 1.730 1.00 62.15 H new ATOM 698 N ALA A 50 -9.659 1.332 4.649 1.00 34.30 N ATOM 699 CA ALA A 50 -10.183 2.540 5.273 1.00 54.34 C ATOM 700 C ALA A 50 -10.572 3.576 4.223 1.00 73.22 C ATOM 701 O ALA A 50 -9.874 3.754 3.225 1.00 71.55 O ATOM 702 CB ALA A 50 -9.160 3.122 6.237 1.00 14.20 C ATOM 0 H ALA A 50 -9.270 1.474 3.717 1.00 34.30 H new ATOM 0 HA ALA A 50 -11.080 2.271 5.831 1.00 54.34 H new ATOM 0 HB1 ALA A 50 -9.565 4.024 6.696 1.00 14.20 H new ATOM 0 HB2 ALA A 50 -8.934 2.390 7.013 1.00 14.20 H new ATOM 0 HB3 ALA A 50 -8.248 3.369 5.694 1.00 14.20 H new ATOM 708 N TRP A 51 -11.690 4.253 4.454 1.00 50.13 N ATOM 709 CA TRP A 51 -12.172 5.271 3.527 1.00 24.21 C ATOM 710 C TRP A 51 -12.692 6.491 4.280 1.00 25.42 C ATOM 711 O TRP A 51 -13.202 6.374 5.395 1.00 32.24 O ATOM 712 CB TRP A 51 -13.275 4.698 2.637 1.00 23.44 C ATOM 713 CG TRP A 51 -14.362 4.009 3.406 1.00 65.55 C ATOM 714 CD1 TRP A 51 -15.354 4.604 4.134 1.00 13.33 C ATOM 715 CD2 TRP A 51 -14.565 2.597 3.527 1.00 24.13 C ATOM 716 NE1 TRP A 51 -16.161 3.646 4.698 1.00 71.22 N ATOM 717 CE2 TRP A 51 -15.699 2.407 4.340 1.00 22.32 C ATOM 718 CE3 TRP A 51 -13.901 1.475 3.024 1.00 41.12 C ATOM 719 CZ2 TRP A 51 -16.180 1.140 4.663 1.00 50.33 C ATOM 720 CZ3 TRP A 51 -14.379 0.219 3.345 1.00 45.11 C ATOM 721 CH2 TRP A 51 -15.510 0.060 4.157 1.00 52.13 C ATOM 0 H TRP A 51 -12.280 4.116 5.275 1.00 50.13 H new ATOM 0 HA TRP A 51 -11.335 5.583 2.902 1.00 24.21 H new ATOM 0 HB2 TRP A 51 -13.712 5.504 2.048 1.00 23.44 H new ATOM 0 HB3 TRP A 51 -12.834 3.992 1.933 1.00 23.44 H new ATOM 0 HD1 TRP A 51 -15.484 5.670 4.249 1.00 13.33 H new ATOM 0 HE1 TRP A 51 -16.973 3.828 5.288 1.00 71.22 H new ATOM 0 HE3 TRP A 51 -13.030 1.588 2.396 1.00 41.12 H new ATOM 0 HZ2 TRP A 51 -17.050 1.015 5.290 1.00 50.33 H new ATOM 0 HZ3 TRP A 51 -13.872 -0.655 2.964 1.00 45.11 H new ATOM 0 HH2 TRP A 51 -15.860 -0.935 4.388 1.00 52.13 H new ATOM 732 N ASP A 52 -12.561 7.661 3.665 1.00 11.53 N ATOM 733 CA ASP A 52 -13.019 8.902 4.277 1.00 1.33 C ATOM 734 C ASP A 52 -12.236 9.201 5.552 1.00 3.15 C ATOM 735 O ASP A 52 -12.647 10.028 6.365 1.00 3.31 O ATOM 736 CB ASP A 52 -14.514 8.820 4.589 1.00 43.23 C ATOM 737 CG ASP A 52 -15.328 9.818 3.788 1.00 14.05 C ATOM 738 OD1 ASP A 52 -15.444 9.636 2.557 1.00 31.31 O ATOM 739 OD2 ASP A 52 -15.848 10.780 4.390 1.00 20.50 O ATOM 0 H ASP A 52 -12.141 7.776 2.743 1.00 11.53 H new ATOM 0 HA ASP A 52 -12.847 9.712 3.569 1.00 1.33 H new ATOM 0 HB2 ASP A 52 -14.871 7.812 4.379 1.00 43.23 H new ATOM 0 HB3 ASP A 52 -14.671 8.998 5.653 1.00 43.23 H new ATOM 744 N ALA A 53 -11.106 8.521 5.719 1.00 64.52 N ATOM 745 CA ALA A 53 -10.267 8.714 6.895 1.00 51.54 C ATOM 746 C ALA A 53 -8.947 7.961 6.756 1.00 24.31 C ATOM 747 O ALA A 53 -8.911 6.732 6.830 1.00 53.43 O ATOM 748 CB ALA A 53 -11.003 8.267 8.149 1.00 12.30 C ATOM 0 H ALA A 53 -10.751 7.832 5.055 1.00 64.52 H new ATOM 0 HA ALA A 53 -10.042 9.777 6.980 1.00 51.54 H new ATOM 0 HB1 ALA A 53 -10.364 8.417 9.019 1.00 12.30 H new ATOM 0 HB2 ALA A 53 -11.915 8.852 8.264 1.00 12.30 H new ATOM 0 HB3 ALA A 53 -11.258 7.211 8.064 1.00 12.30 H new ATOM 754 N THR A 54 -7.864 8.706 6.554 1.00 63.10 N ATOM 755 CA THR A 54 -6.544 8.109 6.403 1.00 11.10 C ATOM 756 C THR A 54 -6.087 7.449 7.699 1.00 35.53 C ATOM 757 O THR A 54 -5.530 8.105 8.580 1.00 4.24 O ATOM 758 CB THR A 54 -5.499 9.157 5.978 1.00 41.41 C ATOM 759 OG1 THR A 54 -5.834 9.691 4.693 1.00 44.04 O ATOM 760 CG2 THR A 54 -4.106 8.545 5.931 1.00 61.21 C ATOM 0 H THR A 54 -7.876 9.724 6.491 1.00 63.10 H new ATOM 0 HA THR A 54 -6.627 7.352 5.623 1.00 11.10 H new ATOM 0 HB THR A 54 -5.502 9.959 6.716 1.00 41.41 H new ATOM 0 HG1 THR A 54 -5.165 10.358 4.431 1.00 44.04 H new ATOM 0 HG21 THR A 54 -3.385 9.304 5.628 1.00 61.21 H new ATOM 0 HG22 THR A 54 -3.841 8.166 6.918 1.00 61.21 H new ATOM 0 HG23 THR A 54 -4.093 7.725 5.213 1.00 61.21 H new ATOM 768 N VAL A 55 -6.325 6.146 7.811 1.00 4.20 N ATOM 769 CA VAL A 55 -5.937 5.396 8.999 1.00 42.30 C ATOM 770 C VAL A 55 -4.456 5.039 8.963 1.00 14.41 C ATOM 771 O VAL A 55 -3.898 4.759 7.901 1.00 51.30 O ATOM 772 CB VAL A 55 -6.763 4.104 9.143 1.00 12.52 C ATOM 773 CG1 VAL A 55 -6.455 3.418 10.465 1.00 3.35 C ATOM 774 CG2 VAL A 55 -8.249 4.405 9.021 1.00 55.11 C ATOM 0 H VAL A 55 -6.785 5.588 7.092 1.00 4.20 H new ATOM 0 HA VAL A 55 -6.132 6.039 9.857 1.00 42.30 H new ATOM 0 HB VAL A 55 -6.487 3.425 8.336 1.00 12.52 H new ATOM 0 HG11 VAL A 55 -7.048 2.507 10.549 1.00 3.35 H new ATOM 0 HG12 VAL A 55 -5.395 3.166 10.506 1.00 3.35 H new ATOM 0 HG13 VAL A 55 -6.701 4.088 11.289 1.00 3.35 H new ATOM 0 HG21 VAL A 55 -8.817 3.481 9.125 1.00 55.11 H new ATOM 0 HG22 VAL A 55 -8.544 5.103 9.804 1.00 55.11 H new ATOM 0 HG23 VAL A 55 -8.452 4.848 8.046 1.00 55.11 H new ATOM 784 N THR A 56 -3.821 5.049 10.132 1.00 14.42 N ATOM 785 CA THR A 56 -2.404 4.726 10.235 1.00 13.52 C ATOM 786 C THR A 56 -2.136 3.789 11.406 1.00 62.55 C ATOM 787 O THR A 56 -2.747 3.917 12.467 1.00 15.25 O ATOM 788 CB THR A 56 -1.548 5.997 10.402 1.00 24.32 C ATOM 789 OG1 THR A 56 -1.588 6.776 9.202 1.00 11.22 O ATOM 790 CG2 THR A 56 -0.108 5.641 10.735 1.00 34.54 C ATOM 0 H THR A 56 -4.267 5.278 11.020 1.00 14.42 H new ATOM 0 HA THR A 56 -2.126 4.229 9.306 1.00 13.52 H new ATOM 0 HB THR A 56 -1.960 6.579 11.226 1.00 24.32 H new ATOM 0 HG1 THR A 56 -1.043 7.582 9.317 1.00 11.22 H new ATOM 0 HG21 THR A 56 0.476 6.554 10.848 1.00 34.54 H new ATOM 0 HG22 THR A 56 -0.079 5.075 11.666 1.00 34.54 H new ATOM 0 HG23 THR A 56 0.313 5.038 9.930 1.00 34.54 H new ATOM 798 N ASN A 57 -1.219 2.847 11.209 1.00 4.20 N ATOM 799 CA ASN A 57 -0.872 1.889 12.250 1.00 32.03 C ATOM 800 C ASN A 57 0.520 2.170 12.807 1.00 42.33 C ATOM 801 O ASN A 57 1.362 2.763 12.132 1.00 45.40 O ATOM 802 CB ASN A 57 -0.934 0.462 11.700 1.00 35.33 C ATOM 803 CG ASN A 57 0.354 0.051 11.012 1.00 73.44 C ATOM 804 OD1 ASN A 57 0.818 0.719 10.088 1.00 63.33 O ATOM 805 ND2 ASN A 57 0.938 -1.054 11.462 1.00 42.41 N ATOM 0 H ASN A 57 -0.703 2.728 10.337 1.00 4.20 H new ATOM 0 HA ASN A 57 -1.595 1.992 13.059 1.00 32.03 H new ATOM 0 HB2 ASN A 57 -1.144 -0.230 12.516 1.00 35.33 H new ATOM 0 HB3 ASN A 57 -1.761 0.383 10.994 1.00 35.33 H new ATOM 0 HD21 ASN A 57 1.807 -1.380 11.039 1.00 42.41 H new ATOM 0 HD22 ASN A 57 0.517 -1.576 12.231 1.00 42.41 H new ATOM 812 N SER A 58 0.756 1.742 14.043 1.00 43.12 N ATOM 813 CA SER A 58 2.044 1.952 14.692 1.00 32.40 C ATOM 814 C SER A 58 2.221 0.999 15.870 1.00 23.31 C ATOM 815 O SER A 58 1.924 1.345 17.013 1.00 34.23 O ATOM 816 CB SER A 58 2.169 3.400 15.171 1.00 24.11 C ATOM 817 OG SER A 58 3.028 4.145 14.325 1.00 14.25 O ATOM 0 H SER A 58 0.071 1.247 14.615 1.00 43.12 H new ATOM 0 HA SER A 58 2.827 1.749 13.961 1.00 32.40 H new ATOM 0 HB2 SER A 58 1.183 3.865 15.194 1.00 24.11 H new ATOM 0 HB3 SER A 58 2.553 3.417 16.191 1.00 24.11 H new ATOM 0 HG SER A 58 2.801 3.965 13.389 1.00 14.25 H new ATOM 823 N GLY A 59 2.705 -0.206 15.582 1.00 53.40 N ATOM 824 CA GLY A 59 2.913 -1.191 16.626 1.00 23.41 C ATOM 825 C GLY A 59 1.609 -1.729 17.184 1.00 13.31 C ATOM 826 O GLY A 59 1.051 -2.691 16.656 1.00 22.43 O ATOM 0 H GLY A 59 2.957 -0.517 14.644 1.00 53.40 H new ATOM 0 HA2 GLY A 59 3.503 -2.017 16.229 1.00 23.41 H new ATOM 0 HA3 GLY A 59 3.493 -0.744 17.433 1.00 23.41 H new ATOM 830 N ASP A 60 1.125 -1.108 18.253 1.00 62.41 N ATOM 831 CA ASP A 60 -0.121 -1.529 18.883 1.00 72.10 C ATOM 832 C ASP A 60 -1.090 -0.359 19.009 1.00 63.14 C ATOM 833 O ASP A 60 -2.011 -0.386 19.827 1.00 61.02 O ATOM 834 CB ASP A 60 0.157 -2.128 20.263 1.00 34.21 C ATOM 835 CG ASP A 60 0.579 -3.583 20.188 1.00 65.14 C ATOM 836 OD1 ASP A 60 1.795 -3.843 20.075 1.00 64.24 O ATOM 837 OD2 ASP A 60 -0.308 -4.460 20.243 1.00 33.51 O ATOM 0 H ASP A 60 1.576 -0.311 18.702 1.00 62.41 H new ATOM 0 HA ASP A 60 -0.579 -2.289 18.251 1.00 72.10 H new ATOM 0 HB2 ASP A 60 0.939 -1.551 20.756 1.00 34.21 H new ATOM 0 HB3 ASP A 60 -0.738 -2.043 20.880 1.00 34.21 H new ATOM 842 N HIS A 61 -0.877 0.670 18.194 1.00 72.23 N ATOM 843 CA HIS A 61 -1.731 1.853 18.215 1.00 22.24 C ATOM 844 C HIS A 61 -2.114 2.271 16.799 1.00 12.05 C ATOM 845 O HIS A 61 -1.332 2.112 15.862 1.00 0.52 O ATOM 846 CB HIS A 61 -1.025 3.006 18.927 1.00 2.32 C ATOM 847 CG HIS A 61 -1.751 4.311 18.820 1.00 61.43 C ATOM 848 ND1 HIS A 61 -2.570 4.801 19.816 1.00 14.32 N ATOM 849 CD2 HIS A 61 -1.779 5.231 17.827 1.00 72.02 C ATOM 850 CE1 HIS A 61 -3.070 5.964 19.440 1.00 11.41 C ATOM 851 NE2 HIS A 61 -2.605 6.248 18.236 1.00 43.02 N ATOM 0 H HIS A 61 -0.120 0.708 17.511 1.00 72.23 H new ATOM 0 HA HIS A 61 -2.641 1.604 18.760 1.00 22.24 H new ATOM 0 HB2 HIS A 61 -0.904 2.752 19.980 1.00 2.32 H new ATOM 0 HB3 HIS A 61 -0.024 3.121 18.510 1.00 2.32 H new ATOM 0 HD1 HIS A 61 -2.760 4.337 20.704 1.00 14.32 H new ATOM 0 HD2 HIS A 61 -1.250 5.175 16.887 1.00 72.02 H new ATOM 0 HE1 HIS A 61 -3.744 6.579 20.018 1.00 11.41 H new ATOM 859 N TRP A 62 -3.321 2.804 16.651 1.00 45.21 N ATOM 860 CA TRP A 62 -3.807 3.245 15.348 1.00 21.42 C ATOM 861 C TRP A 62 -4.436 4.630 15.442 1.00 43.34 C ATOM 862 O TRP A 62 -4.975 5.011 16.482 1.00 61.41 O ATOM 863 CB TRP A 62 -4.825 2.246 14.797 1.00 1.10 C ATOM 864 CG TRP A 62 -4.228 0.913 14.462 1.00 73.11 C ATOM 865 CD1 TRP A 62 -3.663 0.025 15.334 1.00 3.31 C ATOM 866 CD2 TRP A 62 -4.135 0.317 13.163 1.00 61.54 C ATOM 867 NE1 TRP A 62 -3.224 -1.085 14.655 1.00 25.32 N ATOM 868 CE2 TRP A 62 -3.503 -0.932 13.322 1.00 32.32 C ATOM 869 CE3 TRP A 62 -4.525 0.715 11.882 1.00 62.23 C ATOM 870 CZ2 TRP A 62 -3.253 -1.781 12.248 1.00 34.32 C ATOM 871 CZ3 TRP A 62 -4.276 -0.128 10.817 1.00 31.51 C ATOM 872 CH2 TRP A 62 -3.645 -1.366 11.005 1.00 64.41 C ATOM 0 H TRP A 62 -3.981 2.941 17.416 1.00 45.21 H new ATOM 0 HA TRP A 62 -2.956 3.299 14.669 1.00 21.42 H new ATOM 0 HB2 TRP A 62 -5.620 2.106 15.530 1.00 1.10 H new ATOM 0 HB3 TRP A 62 -5.286 2.664 13.903 1.00 1.10 H new ATOM 0 HD1 TRP A 62 -3.575 0.174 16.400 1.00 3.31 H new ATOM 0 HE1 TRP A 62 -2.764 -1.893 15.075 1.00 25.32 H new ATOM 0 HE3 TRP A 62 -5.013 1.666 11.727 1.00 62.23 H new ATOM 0 HZ2 TRP A 62 -2.766 -2.734 12.391 1.00 34.32 H new ATOM 0 HZ3 TRP A 62 -4.572 0.171 9.822 1.00 31.51 H new ATOM 0 HH2 TRP A 62 -3.465 -2.004 10.152 1.00 64.41 H new ATOM 883 N THR A 63 -4.364 5.384 14.349 1.00 22.23 N ATOM 884 CA THR A 63 -4.925 6.728 14.308 1.00 65.31 C ATOM 885 C THR A 63 -5.648 6.984 12.990 1.00 74.12 C ATOM 886 O THR A 63 -5.279 6.433 11.953 1.00 64.21 O ATOM 887 CB THR A 63 -3.834 7.799 14.498 1.00 42.21 C ATOM 888 OG1 THR A 63 -4.436 9.078 14.722 1.00 72.24 O ATOM 889 CG2 THR A 63 -2.925 7.867 13.281 1.00 3.32 C ATOM 0 H THR A 63 -3.922 5.085 13.480 1.00 22.23 H new ATOM 0 HA THR A 63 -5.638 6.796 15.129 1.00 65.31 H new ATOM 0 HB THR A 63 -3.234 7.524 15.365 1.00 42.21 H new ATOM 0 HG1 THR A 63 -3.736 9.752 14.843 1.00 72.24 H new ATOM 0 HG21 THR A 63 -2.163 8.630 13.438 1.00 3.32 H new ATOM 0 HG22 THR A 63 -2.445 6.900 13.131 1.00 3.32 H new ATOM 0 HG23 THR A 63 -3.515 8.120 12.400 1.00 3.32 H new ATOM 897 N ALA A 64 -6.678 7.823 13.038 1.00 14.44 N ATOM 898 CA ALA A 64 -7.449 8.153 11.846 1.00 21.22 C ATOM 899 C ALA A 64 -7.525 9.662 11.642 1.00 32.44 C ATOM 900 O ALA A 64 -7.940 10.400 12.535 1.00 75.10 O ATOM 901 CB ALA A 64 -8.848 7.561 11.943 1.00 34.13 C ATOM 0 H ALA A 64 -6.997 8.286 13.889 1.00 14.44 H new ATOM 0 HA ALA A 64 -6.942 7.721 10.983 1.00 21.22 H new ATOM 0 HB1 ALA A 64 -9.413 7.815 11.046 1.00 34.13 H new ATOM 0 HB2 ALA A 64 -8.779 6.477 12.034 1.00 34.13 H new ATOM 0 HB3 ALA A 64 -9.355 7.967 12.819 1.00 34.13 H new ATOM 907 N LYS A 65 -7.121 10.115 10.461 1.00 13.43 N ATOM 908 CA LYS A 65 -7.143 11.536 10.137 1.00 73.32 C ATOM 909 C LYS A 65 -7.629 11.762 8.709 1.00 10.12 C ATOM 910 O LYS A 65 -7.193 11.084 7.780 1.00 33.21 O ATOM 911 CB LYS A 65 -5.748 12.142 10.314 1.00 1.02 C ATOM 912 CG LYS A 65 -4.649 11.351 9.626 1.00 4.22 C ATOM 913 CD LYS A 65 -4.056 10.301 10.549 1.00 24.30 C ATOM 914 CE LYS A 65 -2.694 10.727 11.075 1.00 10.34 C ATOM 915 NZ LYS A 65 -2.812 11.610 12.268 1.00 53.53 N ATOM 0 H LYS A 65 -6.774 9.518 9.711 1.00 13.43 H new ATOM 0 HA LYS A 65 -7.836 12.028 10.820 1.00 73.32 H new ATOM 0 HB2 LYS A 65 -5.751 13.159 9.923 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -5.523 12.210 11.378 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -5.050 10.868 8.735 1.00 4.22 H new ATOM 0 HG3 LYS A 65 -3.864 12.030 9.294 1.00 4.22 H new ATOM 0 HD2 LYS A 65 -4.732 10.127 11.386 1.00 24.30 H new ATOM 0 HD3 LYS A 65 -3.961 9.356 10.014 1.00 24.30 H new ATOM 0 HE2 LYS A 65 -2.112 9.843 11.334 1.00 10.34 H new ATOM 0 HE3 LYS A 65 -2.148 11.249 10.289 1.00 10.34 H new ATOM 0 HZ1 LYS A 65 -1.862 11.879 12.596 1.00 53.53 H new ATOM 0 HZ2 LYS A 65 -3.346 12.466 12.015 1.00 53.53 H new ATOM 0 HZ3 LYS A 65 -3.310 11.103 13.027 1.00 53.53 H new ATOM 929 N ASN A 66 -8.534 12.721 8.542 1.00 24.42 N ATOM 930 CA ASN A 66 -9.080 13.037 7.226 1.00 33.44 C ATOM 931 C ASN A 66 -8.600 14.405 6.753 1.00 23.12 C ATOM 932 O ASN A 66 -8.086 14.545 5.644 1.00 34.22 O ATOM 933 CB ASN A 66 -10.609 13.004 7.264 1.00 72.21 C ATOM 934 CG ASN A 66 -11.227 13.269 5.904 1.00 71.00 C ATOM 935 OD1 ASN A 66 -10.701 12.839 4.877 1.00 44.02 O ATOM 936 ND2 ASN A 66 -12.348 13.981 5.892 1.00 72.31 N ATOM 0 H ASN A 66 -8.905 13.293 9.301 1.00 24.42 H new ATOM 0 HA ASN A 66 -8.725 12.284 6.522 1.00 33.44 H new ATOM 0 HB2 ASN A 66 -10.940 12.031 7.627 1.00 72.21 H new ATOM 0 HB3 ASN A 66 -10.968 13.748 7.975 1.00 72.21 H new ATOM 0 HD21 ASN A 66 -12.809 14.192 5.007 1.00 72.31 H new ATOM 0 HD22 ASN A 66 -12.748 14.317 6.768 1.00 72.31 H new ATOM 943 N VAL A 67 -8.773 15.413 7.603 1.00 52.01 N ATOM 944 CA VAL A 67 -8.356 16.771 7.272 1.00 73.51 C ATOM 945 C VAL A 67 -7.013 17.104 7.913 1.00 20.30 C ATOM 946 O VAL A 67 -6.801 18.218 8.391 1.00 32.04 O ATOM 947 CB VAL A 67 -9.401 17.805 7.730 1.00 43.30 C ATOM 948 CG1 VAL A 67 -9.497 18.946 6.728 1.00 74.22 C ATOM 949 CG2 VAL A 67 -10.757 17.142 7.924 1.00 75.32 C ATOM 0 H VAL A 67 -9.199 15.315 8.525 1.00 52.01 H new ATOM 0 HA VAL A 67 -8.260 16.818 6.187 1.00 73.51 H new ATOM 0 HB VAL A 67 -9.083 18.218 8.687 1.00 43.30 H new ATOM 0 HG11 VAL A 67 -10.240 19.667 7.068 1.00 74.22 H new ATOM 0 HG12 VAL A 67 -8.528 19.437 6.642 1.00 74.22 H new ATOM 0 HG13 VAL A 67 -9.792 18.552 5.755 1.00 74.22 H new ATOM 0 HG21 VAL A 67 -11.483 17.887 8.248 1.00 75.32 H new ATOM 0 HG22 VAL A 67 -11.084 16.701 6.982 1.00 75.32 H new ATOM 0 HG23 VAL A 67 -10.676 16.362 8.681 1.00 75.32 H new ATOM 959 N GLY A 68 -6.108 16.130 7.919 1.00 61.24 N ATOM 960 CA GLY A 68 -4.796 16.341 8.503 1.00 34.25 C ATOM 961 C GLY A 68 -3.879 17.139 7.597 1.00 32.33 C ATOM 962 O GLY A 68 -2.733 17.416 7.952 1.00 1.44 O ATOM 0 H GLY A 68 -6.260 15.199 7.530 1.00 61.24 H new ATOM 0 HA2 GLY A 68 -4.905 16.862 9.454 1.00 34.25 H new ATOM 0 HA3 GLY A 68 -4.338 15.376 8.719 1.00 34.25 H new ATOM 966 N TRP A 69 -4.383 17.507 6.425 1.00 1.12 N ATOM 967 CA TRP A 69 -3.600 18.277 5.465 1.00 2.14 C ATOM 968 C TRP A 69 -4.183 19.673 5.281 1.00 64.21 C ATOM 969 O TRP A 69 -3.472 20.611 4.925 1.00 42.31 O ATOM 970 CB TRP A 69 -3.550 17.551 4.118 1.00 72.55 C ATOM 971 CG TRP A 69 -4.816 16.819 3.791 1.00 11.12 C ATOM 972 CD1 TRP A 69 -5.104 15.513 4.071 1.00 14.20 C ATOM 973 CD2 TRP A 69 -5.963 17.349 3.119 1.00 64.42 C ATOM 974 NE1 TRP A 69 -6.361 15.200 3.614 1.00 51.54 N ATOM 975 CE2 TRP A 69 -6.910 16.309 3.027 1.00 72.25 C ATOM 976 CE3 TRP A 69 -6.284 18.601 2.588 1.00 23.03 C ATOM 977 CZ2 TRP A 69 -8.153 16.486 2.424 1.00 75.44 C ATOM 978 CZ3 TRP A 69 -7.518 18.775 1.991 1.00 12.13 C ATOM 979 CH2 TRP A 69 -8.440 17.721 1.913 1.00 45.23 C ATOM 0 H TRP A 69 -5.330 17.285 6.116 1.00 1.12 H new ATOM 0 HA TRP A 69 -2.587 18.375 5.856 1.00 2.14 H new ATOM 0 HB2 TRP A 69 -3.344 18.276 3.330 1.00 72.55 H new ATOM 0 HB3 TRP A 69 -2.721 16.843 4.125 1.00 72.55 H new ATOM 0 HD1 TRP A 69 -4.441 14.827 4.577 1.00 14.20 H new ATOM 0 HE1 TRP A 69 -6.812 14.289 3.698 1.00 51.54 H new ATOM 0 HE3 TRP A 69 -5.580 19.418 2.643 1.00 23.03 H new ATOM 0 HZ2 TRP A 69 -8.865 15.676 2.362 1.00 75.44 H new ATOM 0 HZ3 TRP A 69 -7.777 19.739 1.578 1.00 12.13 H new ATOM 0 HH2 TRP A 69 -9.396 17.888 1.440 1.00 45.23 H new ATOM 990 N ASN A 70 -5.482 19.804 5.527 1.00 65.41 N ATOM 991 CA ASN A 70 -6.162 21.087 5.389 1.00 54.04 C ATOM 992 C ASN A 70 -6.504 21.672 6.756 1.00 54.21 C ATOM 993 O ASN A 70 -6.258 22.850 7.019 1.00 32.42 O ATOM 994 CB ASN A 70 -7.436 20.927 4.558 1.00 4.20 C ATOM 995 CG ASN A 70 -7.334 21.608 3.207 1.00 34.05 C ATOM 996 OD1 ASN A 70 -6.245 21.747 2.649 1.00 72.52 O ATOM 997 ND2 ASN A 70 -8.472 22.037 2.672 1.00 52.02 N ATOM 0 H ASN A 70 -6.086 19.037 5.823 1.00 65.41 H new ATOM 0 HA ASN A 70 -5.487 21.773 4.878 1.00 54.04 H new ATOM 0 HB2 ASN A 70 -7.641 19.866 4.413 1.00 4.20 H new ATOM 0 HB3 ASN A 70 -8.280 21.342 5.108 1.00 4.20 H new ATOM 0 HD21 ASN A 70 -8.465 22.502 1.764 1.00 52.02 H new ATOM 0 HD22 ASN A 70 -9.352 21.901 3.169 1.00 52.02 H new ATOM 1004 N GLY A 71 -7.071 20.841 7.625 1.00 22.55 N ATOM 1005 CA GLY A 71 -7.436 21.293 8.954 1.00 24.45 C ATOM 1006 C GLY A 71 -8.254 22.570 8.928 1.00 34.51 C ATOM 1007 O GLY A 71 -7.882 23.568 9.546 1.00 1.13 O ATOM 0 H GLY A 71 -7.284 19.862 7.432 1.00 22.55 H new ATOM 0 HA2 GLY A 71 -8.005 20.511 9.457 1.00 24.45 H new ATOM 0 HA3 GLY A 71 -6.532 21.456 9.540 1.00 24.45 H new ATOM 1011 N THR A 72 -9.372 22.540 8.210 1.00 61.43 N ATOM 1012 CA THR A 72 -10.244 23.703 8.103 1.00 60.04 C ATOM 1013 C THR A 72 -11.710 23.306 8.231 1.00 12.11 C ATOM 1014 O THR A 72 -12.346 22.917 7.251 1.00 14.43 O ATOM 1015 CB THR A 72 -10.037 24.438 6.765 1.00 71.23 C ATOM 1016 OG1 THR A 72 -10.416 23.590 5.676 1.00 34.22 O ATOM 1017 CG2 THR A 72 -8.587 24.866 6.601 1.00 74.03 C ATOM 0 H THR A 72 -9.695 21.722 7.693 1.00 61.43 H new ATOM 0 HA THR A 72 -9.980 24.372 8.922 1.00 60.04 H new ATOM 0 HB THR A 72 -10.664 25.330 6.765 1.00 71.23 H new ATOM 0 HG1 THR A 72 -11.311 23.226 5.841 1.00 34.22 H new ATOM 0 HG21 THR A 72 -8.466 25.383 5.649 1.00 74.03 H new ATOM 0 HG22 THR A 72 -8.311 25.536 7.415 1.00 74.03 H new ATOM 0 HG23 THR A 72 -7.944 23.986 6.621 1.00 74.03 H new ATOM 1025 N LEU A 73 -12.242 23.407 9.444 1.00 15.31 N ATOM 1026 CA LEU A 73 -13.635 23.060 9.700 1.00 31.14 C ATOM 1027 C LEU A 73 -14.295 24.089 10.612 1.00 11.43 C ATOM 1028 O LEU A 73 -13.615 24.843 11.307 1.00 23.02 O ATOM 1029 CB LEU A 73 -13.726 21.670 10.332 1.00 13.03 C ATOM 1030 CG LEU A 73 -15.070 20.955 10.192 1.00 2.41 C ATOM 1031 CD1 LEU A 73 -14.863 19.495 9.819 1.00 4.12 C ATOM 1032 CD2 LEU A 73 -15.873 21.069 11.480 1.00 15.21 C ATOM 0 H LEU A 73 -11.729 23.727 10.266 1.00 15.31 H new ATOM 0 HA LEU A 73 -14.163 23.056 8.747 1.00 31.14 H new ATOM 0 HB2 LEU A 73 -12.954 21.040 9.889 1.00 13.03 H new ATOM 0 HB3 LEU A 73 -13.494 21.760 11.393 1.00 13.03 H new ATOM 0 HG LEU A 73 -15.633 21.437 9.393 1.00 2.41 H new ATOM 0 HD11 LEU A 73 -15.831 19.003 9.724 1.00 4.12 H new ATOM 0 HD12 LEU A 73 -14.330 19.434 8.870 1.00 4.12 H new ATOM 0 HD13 LEU A 73 -14.279 19.000 10.595 1.00 4.12 H new ATOM 0 HD21 LEU A 73 -16.826 20.554 11.361 1.00 15.21 H new ATOM 0 HD22 LEU A 73 -15.315 20.614 12.298 1.00 15.21 H new ATOM 0 HD23 LEU A 73 -16.054 22.120 11.704 1.00 15.21 H new ATOM 1044 N ALA A 74 -15.624 24.114 10.604 1.00 33.24 N ATOM 1045 CA ALA A 74 -16.375 25.047 11.432 1.00 72.40 C ATOM 1046 C ALA A 74 -16.448 24.563 12.878 1.00 4.55 C ATOM 1047 O ALA A 74 -16.210 23.394 13.178 1.00 13.31 O ATOM 1048 CB ALA A 74 -17.774 25.244 10.870 1.00 4.24 C ATOM 0 H ALA A 74 -16.202 23.498 10.032 1.00 33.24 H new ATOM 0 HA ALA A 74 -15.853 26.004 11.422 1.00 72.40 H new ATOM 0 HB1 ALA A 74 -18.324 25.944 11.499 1.00 4.24 H new ATOM 0 HB2 ALA A 74 -17.707 25.642 9.858 1.00 4.24 H new ATOM 0 HB3 ALA A 74 -18.296 24.287 10.850 1.00 4.24 H new ATOM 1054 N PRO A 75 -16.785 25.483 13.794 1.00 53.24 N ATOM 1055 CA PRO A 75 -16.897 25.173 15.222 1.00 51.03 C ATOM 1056 C PRO A 75 -18.097 24.284 15.530 1.00 50.31 C ATOM 1057 O PRO A 75 -18.251 23.799 16.650 1.00 51.22 O ATOM 1058 CB PRO A 75 -17.069 26.548 15.872 1.00 44.52 C ATOM 1059 CG PRO A 75 -17.657 27.401 14.801 1.00 43.34 C ATOM 1060 CD PRO A 75 -17.083 26.896 13.506 1.00 13.02 C ATOM 0 HA PRO A 75 -16.032 24.619 15.587 1.00 51.03 H new ATOM 0 HB2 PRO A 75 -17.724 26.496 16.741 1.00 44.52 H new ATOM 0 HB3 PRO A 75 -16.114 26.946 16.216 1.00 44.52 H new ATOM 0 HG2 PRO A 75 -18.745 27.330 14.799 1.00 43.34 H new ATOM 0 HG3 PRO A 75 -17.406 28.450 14.956 1.00 43.34 H new ATOM 0 HD2 PRO A 75 -17.793 26.998 12.685 1.00 13.02 H new ATOM 0 HD3 PRO A 75 -16.186 27.446 13.222 1.00 13.02 H new ATOM 1068 N GLY A 76 -18.945 24.073 14.528 1.00 41.52 N ATOM 1069 CA GLY A 76 -20.120 23.242 14.713 1.00 54.43 C ATOM 1070 C GLY A 76 -20.463 22.441 13.474 1.00 5.53 C ATOM 1071 O GLY A 76 -20.799 23.007 12.433 1.00 12.43 O ATOM 0 H GLY A 76 -18.839 24.463 13.591 1.00 41.52 H new ATOM 0 HA2 GLY A 76 -19.952 22.561 15.547 1.00 54.43 H new ATOM 0 HA3 GLY A 76 -20.968 23.872 14.981 1.00 54.43 H new ATOM 1075 N ALA A 77 -20.380 21.119 13.583 1.00 42.44 N ATOM 1076 CA ALA A 77 -20.685 20.238 12.463 1.00 43.51 C ATOM 1077 C ALA A 77 -20.524 18.774 12.856 1.00 64.01 C ATOM 1078 O ALA A 77 -20.041 18.462 13.945 1.00 45.43 O ATOM 1079 CB ALA A 77 -19.795 20.569 11.273 1.00 73.34 C ATOM 0 H ALA A 77 -20.104 20.634 14.437 1.00 42.44 H new ATOM 0 HA ALA A 77 -21.725 20.398 12.180 1.00 43.51 H new ATOM 0 HB1 ALA A 77 -20.034 19.903 10.444 1.00 73.34 H new ATOM 0 HB2 ALA A 77 -19.963 21.602 10.969 1.00 73.34 H new ATOM 0 HB3 ALA A 77 -18.750 20.439 11.553 1.00 73.34 H new ATOM 1085 N SER A 78 -20.932 17.879 11.962 1.00 33.25 N ATOM 1086 CA SER A 78 -20.836 16.446 12.218 1.00 25.23 C ATOM 1087 C SER A 78 -20.195 15.723 11.037 1.00 44.54 C ATOM 1088 O SER A 78 -20.579 15.931 9.885 1.00 35.23 O ATOM 1089 CB SER A 78 -22.223 15.863 12.495 1.00 23.25 C ATOM 1090 OG SER A 78 -23.181 16.371 11.582 1.00 62.53 O ATOM 0 H SER A 78 -21.332 18.120 11.055 1.00 33.25 H new ATOM 0 HA SER A 78 -20.205 16.301 13.095 1.00 25.23 H new ATOM 0 HB2 SER A 78 -22.186 14.776 12.421 1.00 23.25 H new ATOM 0 HB3 SER A 78 -22.525 16.103 13.515 1.00 23.25 H new ATOM 0 HG SER A 78 -24.059 15.982 11.779 1.00 62.53 H new ATOM 1096 N VAL A 79 -19.215 14.876 11.331 1.00 0.11 N ATOM 1097 CA VAL A 79 -18.520 14.122 10.294 1.00 73.42 C ATOM 1098 C VAL A 79 -18.294 12.677 10.725 1.00 14.20 C ATOM 1099 O VAL A 79 -17.923 12.409 11.868 1.00 2.12 O ATOM 1100 CB VAL A 79 -17.162 14.762 9.950 1.00 44.14 C ATOM 1101 CG1 VAL A 79 -17.361 16.026 9.129 1.00 44.40 C ATOM 1102 CG2 VAL A 79 -16.376 15.058 11.218 1.00 11.22 C ATOM 0 H VAL A 79 -18.884 14.694 12.278 1.00 0.11 H new ATOM 0 HA VAL A 79 -19.156 14.139 9.409 1.00 73.42 H new ATOM 0 HB VAL A 79 -16.588 14.055 9.351 1.00 44.14 H new ATOM 0 HG11 VAL A 79 -16.391 16.465 8.895 1.00 44.40 H new ATOM 0 HG12 VAL A 79 -17.881 15.780 8.203 1.00 44.40 H new ATOM 0 HG13 VAL A 79 -17.954 16.741 9.699 1.00 44.40 H new ATOM 0 HG21 VAL A 79 -15.419 15.510 10.956 1.00 11.22 H new ATOM 0 HG22 VAL A 79 -16.943 15.746 11.845 1.00 11.22 H new ATOM 0 HG23 VAL A 79 -16.202 14.130 11.763 1.00 11.22 H new ATOM 1112 N SER A 80 -18.518 11.748 9.801 1.00 13.11 N ATOM 1113 CA SER A 80 -18.341 10.329 10.085 1.00 41.11 C ATOM 1114 C SER A 80 -17.476 9.664 9.018 1.00 53.45 C ATOM 1115 O SER A 80 -17.404 10.131 7.881 1.00 43.14 O ATOM 1116 CB SER A 80 -19.700 9.630 10.164 1.00 72.41 C ATOM 1117 OG SER A 80 -20.760 10.568 10.102 1.00 14.20 O ATOM 0 H SER A 80 -18.822 11.953 8.849 1.00 13.11 H new ATOM 0 HA SER A 80 -17.836 10.237 11.046 1.00 41.11 H new ATOM 0 HB2 SER A 80 -19.793 8.916 9.346 1.00 72.41 H new ATOM 0 HB3 SER A 80 -19.767 9.062 11.092 1.00 72.41 H new ATOM 0 HG SER A 80 -21.618 10.096 10.153 1.00 14.20 H new ATOM 1123 N PHE A 81 -16.821 8.571 9.393 1.00 72.32 N ATOM 1124 CA PHE A 81 -15.959 7.841 8.470 1.00 40.21 C ATOM 1125 C PHE A 81 -16.016 6.341 8.743 1.00 50.14 C ATOM 1126 O PHE A 81 -16.087 5.911 9.893 1.00 73.43 O ATOM 1127 CB PHE A 81 -14.516 8.338 8.585 1.00 3.24 C ATOM 1128 CG PHE A 81 -13.811 7.850 9.817 1.00 60.52 C ATOM 1129 CD1 PHE A 81 -13.161 6.626 9.820 1.00 51.05 C ATOM 1130 CD2 PHE A 81 -13.797 8.614 10.973 1.00 23.32 C ATOM 1131 CE1 PHE A 81 -12.512 6.174 10.954 1.00 14.14 C ATOM 1132 CE2 PHE A 81 -13.149 8.167 12.110 1.00 25.13 C ATOM 1133 CZ PHE A 81 -12.505 6.947 12.099 1.00 33.54 C ATOM 0 H PHE A 81 -16.870 8.171 10.330 1.00 72.32 H new ATOM 0 HA PHE A 81 -16.318 8.021 7.457 1.00 40.21 H new ATOM 0 HB2 PHE A 81 -13.958 8.016 7.705 1.00 3.24 H new ATOM 0 HB3 PHE A 81 -14.514 9.428 8.583 1.00 3.24 H new ATOM 0 HD1 PHE A 81 -13.161 6.019 8.927 1.00 51.05 H new ATOM 0 HD2 PHE A 81 -14.298 9.570 10.986 1.00 23.32 H new ATOM 0 HE1 PHE A 81 -12.011 5.217 10.945 1.00 14.14 H new ATOM 0 HE2 PHE A 81 -13.147 8.772 13.005 1.00 25.13 H new ATOM 0 HZ PHE A 81 -11.996 6.597 12.985 1.00 33.54 H new ATOM 1143 N GLY A 82 -15.985 5.550 7.675 1.00 23.31 N ATOM 1144 CA GLY A 82 -16.034 4.107 7.820 1.00 1.22 C ATOM 1145 C GLY A 82 -14.736 3.439 7.414 1.00 75.03 C ATOM 1146 O GLY A 82 -13.806 4.101 6.953 1.00 31.32 O ATOM 0 H GLY A 82 -15.927 5.883 6.712 1.00 23.31 H new ATOM 0 HA2 GLY A 82 -16.259 3.857 8.857 1.00 1.22 H new ATOM 0 HA3 GLY A 82 -16.848 3.711 7.213 1.00 1.22 H new ATOM 1150 N PHE A 83 -14.670 2.123 7.588 1.00 55.13 N ATOM 1151 CA PHE A 83 -13.474 1.365 7.240 1.00 13.22 C ATOM 1152 C PHE A 83 -13.712 -0.133 7.407 1.00 75.12 C ATOM 1153 O PHE A 83 -14.794 -0.560 7.804 1.00 74.20 O ATOM 1154 CB PHE A 83 -12.294 1.805 8.108 1.00 73.33 C ATOM 1155 CG PHE A 83 -12.340 1.256 9.505 1.00 71.25 C ATOM 1156 CD1 PHE A 83 -13.118 1.863 10.477 1.00 71.42 C ATOM 1157 CD2 PHE A 83 -11.604 0.132 9.847 1.00 21.01 C ATOM 1158 CE1 PHE A 83 -13.162 1.360 11.764 1.00 40.21 C ATOM 1159 CE2 PHE A 83 -11.645 -0.375 11.131 1.00 35.53 C ATOM 1160 CZ PHE A 83 -12.425 0.238 12.091 1.00 22.12 C ATOM 0 H PHE A 83 -15.431 1.560 7.968 1.00 55.13 H new ATOM 0 HA PHE A 83 -13.240 1.564 6.194 1.00 13.22 H new ATOM 0 HB2 PHE A 83 -11.366 1.489 7.632 1.00 73.33 H new ATOM 0 HB3 PHE A 83 -12.274 2.894 8.155 1.00 73.33 H new ATOM 0 HD1 PHE A 83 -13.697 2.740 10.227 1.00 71.42 H new ATOM 0 HD2 PHE A 83 -10.992 -0.353 9.101 1.00 21.01 H new ATOM 0 HE1 PHE A 83 -13.772 1.844 12.513 1.00 40.21 H new ATOM 0 HE2 PHE A 83 -11.067 -1.251 11.384 1.00 35.53 H new ATOM 0 HZ PHE A 83 -12.459 -0.158 13.095 1.00 22.12 H new ATOM 1170 N ASN A 84 -12.690 -0.926 7.099 1.00 11.42 N ATOM 1171 CA ASN A 84 -12.787 -2.377 7.213 1.00 74.45 C ATOM 1172 C ASN A 84 -11.558 -2.951 7.911 1.00 73.30 C ATOM 1173 O ASN A 84 -10.444 -2.458 7.735 1.00 51.20 O ATOM 1174 CB ASN A 84 -12.944 -3.010 5.829 1.00 63.13 C ATOM 1175 CG ASN A 84 -14.320 -2.773 5.238 1.00 62.13 C ATOM 1176 OD1 ASN A 84 -15.282 -2.510 5.961 1.00 52.42 O ATOM 1177 ND2 ASN A 84 -14.421 -2.867 3.918 1.00 13.35 N ATOM 0 H ASN A 84 -11.786 -0.588 6.769 1.00 11.42 H new ATOM 0 HA ASN A 84 -13.666 -2.611 7.813 1.00 74.45 H new ATOM 0 HB2 ASN A 84 -12.188 -2.602 5.158 1.00 63.13 H new ATOM 0 HB3 ASN A 84 -12.762 -4.082 5.900 1.00 63.13 H new ATOM 0 HD21 ASN A 84 -15.322 -2.719 3.464 1.00 13.35 H new ATOM 0 HD22 ASN A 84 -13.597 -3.087 3.358 1.00 13.35 H new ATOM 1184 N GLY A 85 -11.768 -3.998 8.704 1.00 63.44 N ATOM 1185 CA GLY A 85 -10.669 -4.623 9.416 1.00 42.42 C ATOM 1186 C GLY A 85 -10.859 -6.116 9.581 1.00 32.52 C ATOM 1187 O GLY A 85 -11.976 -6.623 9.473 1.00 45.23 O ATOM 0 H GLY A 85 -12.680 -4.424 8.866 1.00 63.44 H new ATOM 0 HA2 GLY A 85 -9.739 -4.436 8.879 1.00 42.42 H new ATOM 0 HA3 GLY A 85 -10.568 -4.162 10.399 1.00 42.42 H new ATOM 1191 N SER A 86 -9.766 -6.826 9.844 1.00 61.13 N ATOM 1192 CA SER A 86 -9.818 -8.273 10.020 1.00 42.44 C ATOM 1193 C SER A 86 -9.712 -8.645 11.495 1.00 33.13 C ATOM 1194 O SER A 86 -8.656 -8.501 12.109 1.00 61.32 O ATOM 1195 CB SER A 86 -8.692 -8.944 9.231 1.00 52.33 C ATOM 1196 OG SER A 86 -8.356 -8.190 8.079 1.00 61.14 O ATOM 0 H SER A 86 -8.834 -6.423 9.940 1.00 61.13 H new ATOM 0 HA SER A 86 -10.778 -8.626 9.642 1.00 42.44 H new ATOM 0 HB2 SER A 86 -7.813 -9.053 9.867 1.00 52.33 H new ATOM 0 HB3 SER A 86 -8.999 -9.947 8.936 1.00 52.33 H new ATOM 0 HG SER A 86 -7.633 -8.639 7.593 1.00 61.14 H new ATOM 1202 N GLY A 87 -10.817 -9.125 12.059 1.00 21.13 N ATOM 1203 CA GLY A 87 -10.829 -9.511 13.458 1.00 2.53 C ATOM 1204 C GLY A 87 -12.219 -9.462 14.061 1.00 45.14 C ATOM 1205 O GLY A 87 -13.227 -9.506 13.355 1.00 43.43 O ATOM 0 H GLY A 87 -11.704 -9.253 11.572 1.00 21.13 H new ATOM 0 HA2 GLY A 87 -10.429 -10.520 13.557 1.00 2.53 H new ATOM 0 HA3 GLY A 87 -10.169 -8.850 14.020 1.00 2.53 H new ATOM 1209 N PRO A 88 -12.286 -9.368 15.397 1.00 51.32 N ATOM 1210 CA PRO A 88 -13.557 -9.312 16.124 1.00 61.20 C ATOM 1211 C PRO A 88 -14.296 -7.998 15.899 1.00 41.41 C ATOM 1212 O PRO A 88 -15.525 -7.969 15.830 1.00 14.25 O ATOM 1213 CB PRO A 88 -13.133 -9.442 17.590 1.00 2.33 C ATOM 1214 CG PRO A 88 -11.732 -8.938 17.625 1.00 54.44 C ATOM 1215 CD PRO A 88 -11.124 -9.310 16.301 1.00 51.21 C ATOM 0 HA PRO A 88 -14.249 -10.087 15.795 1.00 61.20 H new ATOM 0 HB2 PRO A 88 -13.781 -8.857 18.243 1.00 2.33 H new ATOM 0 HB3 PRO A 88 -13.190 -10.477 17.928 1.00 2.33 H new ATOM 0 HG2 PRO A 88 -11.709 -7.859 17.775 1.00 54.44 H new ATOM 0 HG3 PRO A 88 -11.177 -9.386 18.449 1.00 54.44 H new ATOM 0 HD2 PRO A 88 -10.395 -8.570 15.971 1.00 51.21 H new ATOM 0 HD3 PRO A 88 -10.606 -10.268 16.351 1.00 51.21 H new ATOM 1223 N GLY A 89 -13.540 -6.910 15.783 1.00 60.33 N ATOM 1224 CA GLY A 89 -14.141 -5.608 15.566 1.00 63.13 C ATOM 1225 C GLY A 89 -14.526 -4.923 16.862 1.00 72.55 C ATOM 1226 O GLY A 89 -15.439 -4.098 16.890 1.00 4.54 O ATOM 0 H GLY A 89 -12.521 -6.908 15.836 1.00 60.33 H new ATOM 0 HA2 GLY A 89 -13.442 -4.976 15.018 1.00 63.13 H new ATOM 0 HA3 GLY A 89 -15.027 -5.720 14.941 1.00 63.13 H new ATOM 1230 N SER A 90 -13.828 -5.266 17.940 1.00 50.04 N ATOM 1231 CA SER A 90 -14.105 -4.682 19.248 1.00 1.15 C ATOM 1232 C SER A 90 -12.947 -3.801 19.705 1.00 53.43 C ATOM 1233 O SER A 90 -12.138 -4.184 20.552 1.00 2.32 O ATOM 1234 CB SER A 90 -14.360 -5.783 20.278 1.00 3.03 C ATOM 1235 OG SER A 90 -15.738 -6.110 20.346 1.00 43.32 O ATOM 0 H SER A 90 -13.067 -5.945 17.934 1.00 50.04 H new ATOM 0 HA SER A 90 -14.998 -4.063 19.160 1.00 1.15 H new ATOM 0 HB2 SER A 90 -13.785 -6.671 20.015 1.00 3.03 H new ATOM 0 HB3 SER A 90 -14.012 -5.456 21.258 1.00 3.03 H new ATOM 0 HG SER A 90 -15.874 -6.817 21.010 1.00 43.32 H new ATOM 1241 N PRO A 91 -12.863 -2.591 19.133 1.00 41.41 N ATOM 1242 CA PRO A 91 -11.809 -1.628 19.466 1.00 35.21 C ATOM 1243 C PRO A 91 -11.965 -1.061 20.873 1.00 62.14 C ATOM 1244 O PRO A 91 -13.053 -1.092 21.448 1.00 73.01 O ATOM 1245 CB PRO A 91 -11.992 -0.525 18.421 1.00 54.30 C ATOM 1246 CG PRO A 91 -13.425 -0.612 18.026 1.00 20.24 C ATOM 1247 CD PRO A 91 -13.792 -2.068 18.117 1.00 41.15 C ATOM 0 HA PRO A 91 -10.820 -2.086 19.453 1.00 35.21 H new ATOM 0 HB2 PRO A 91 -11.754 0.455 18.834 1.00 54.30 H new ATOM 0 HB3 PRO A 91 -11.335 -0.678 17.565 1.00 54.30 H new ATOM 0 HG2 PRO A 91 -14.049 -0.010 18.687 1.00 20.24 H new ATOM 0 HG3 PRO A 91 -13.575 -0.234 17.015 1.00 20.24 H new ATOM 0 HD2 PRO A 91 -14.832 -2.202 18.416 1.00 41.15 H new ATOM 0 HD3 PRO A 91 -13.667 -2.574 17.160 1.00 41.15 H new ATOM 1255 N SER A 92 -10.871 -0.542 21.422 1.00 14.24 N ATOM 1256 CA SER A 92 -10.886 0.031 22.763 1.00 20.34 C ATOM 1257 C SER A 92 -10.040 1.298 22.822 1.00 64.04 C ATOM 1258 O SER A 92 -9.379 1.663 21.851 1.00 24.43 O ATOM 1259 CB SER A 92 -10.370 -0.989 23.781 1.00 41.51 C ATOM 1260 OG SER A 92 -11.177 -1.000 24.945 1.00 51.21 O ATOM 0 H SER A 92 -9.963 -0.507 20.959 1.00 14.24 H new ATOM 0 HA SER A 92 -11.915 0.291 23.009 1.00 20.34 H new ATOM 0 HB2 SER A 92 -10.360 -1.982 23.332 1.00 41.51 H new ATOM 0 HB3 SER A 92 -9.341 -0.750 24.050 1.00 41.51 H new ATOM 0 HG SER A 92 -10.828 -1.661 25.579 1.00 51.21 H new ATOM 1266 N ASN A 93 -10.067 1.967 23.970 1.00 21.22 N ATOM 1267 CA ASN A 93 -9.304 3.196 24.158 1.00 4.13 C ATOM 1268 C ASN A 93 -9.669 4.230 23.097 1.00 33.43 C ATOM 1269 O ASN A 93 -8.792 4.839 22.482 1.00 62.22 O ATOM 1270 CB ASN A 93 -7.803 2.902 24.105 1.00 4.24 C ATOM 1271 CG ASN A 93 -7.271 2.372 25.422 1.00 42.03 C ATOM 1272 OD1 ASN A 93 -6.607 1.338 25.466 1.00 15.50 O ATOM 1273 ND2 ASN A 93 -7.563 3.083 26.506 1.00 30.32 N ATOM 0 H ASN A 93 -10.609 1.679 24.785 1.00 21.22 H new ATOM 0 HA ASN A 93 -9.553 3.603 25.138 1.00 4.13 H new ATOM 0 HB2 ASN A 93 -7.606 2.175 23.317 1.00 4.24 H new ATOM 0 HB3 ASN A 93 -7.266 3.813 23.840 1.00 4.24 H new ATOM 0 HD21 ASN A 93 -7.233 2.776 27.421 1.00 30.32 H new ATOM 0 HD22 ASN A 93 -8.117 3.935 26.423 1.00 30.32 H new ATOM 1280 N CYS A 94 -10.967 4.422 22.888 1.00 53.33 N ATOM 1281 CA CYS A 94 -11.448 5.383 21.901 1.00 73.33 C ATOM 1282 C CYS A 94 -11.115 6.811 22.325 1.00 61.40 C ATOM 1283 O CYS A 94 -11.849 7.427 23.098 1.00 60.43 O ATOM 1284 CB CYS A 94 -12.958 5.234 21.708 1.00 72.33 C ATOM 1285 SG CYS A 94 -13.681 6.449 20.581 1.00 22.35 S ATOM 0 H CYS A 94 -11.705 3.926 23.388 1.00 53.33 H new ATOM 0 HA CYS A 94 -10.946 5.178 20.955 1.00 73.33 H new ATOM 0 HB2 CYS A 94 -13.168 4.233 21.330 1.00 72.33 H new ATOM 0 HB3 CYS A 94 -13.448 5.318 22.678 1.00 72.33 H new ATOM 0 HG CYS A 94 -13.942 5.882 19.441 1.00 22.35 H new ATOM 1291 N LYS A 95 -10.005 7.330 21.815 1.00 54.53 N ATOM 1292 CA LYS A 95 -9.573 8.684 22.139 1.00 1.11 C ATOM 1293 C LYS A 95 -9.551 9.562 20.891 1.00 20.42 C ATOM 1294 O LYS A 95 -9.213 9.100 19.801 1.00 50.42 O ATOM 1295 CB LYS A 95 -8.185 8.659 22.782 1.00 63.30 C ATOM 1296 CG LYS A 95 -8.203 8.283 24.255 1.00 4.24 C ATOM 1297 CD LYS A 95 -7.968 6.795 24.452 1.00 42.43 C ATOM 1298 CE LYS A 95 -7.171 6.521 25.718 1.00 50.14 C ATOM 1299 NZ LYS A 95 -5.817 7.140 25.667 1.00 24.02 N ATOM 0 H LYS A 95 -9.387 6.833 21.174 1.00 54.53 H new ATOM 0 HA LYS A 95 -10.287 9.106 22.846 1.00 1.11 H new ATOM 0 HB2 LYS A 95 -7.557 7.950 22.242 1.00 63.30 H new ATOM 0 HB3 LYS A 95 -7.725 9.641 22.672 1.00 63.30 H new ATOM 0 HG2 LYS A 95 -7.436 8.847 24.785 1.00 4.24 H new ATOM 0 HG3 LYS A 95 -9.162 8.562 24.691 1.00 4.24 H new ATOM 0 HD2 LYS A 95 -8.926 6.278 24.505 1.00 42.43 H new ATOM 0 HD3 LYS A 95 -7.435 6.392 23.591 1.00 42.43 H new ATOM 0 HE2 LYS A 95 -7.715 6.908 26.580 1.00 50.14 H new ATOM 0 HE3 LYS A 95 -7.073 5.445 25.859 1.00 50.14 H new ATOM 0 HZ1 LYS A 95 -5.153 6.568 26.227 1.00 24.02 H new ATOM 0 HZ2 LYS A 95 -5.491 7.182 24.680 1.00 24.02 H new ATOM 0 HZ3 LYS A 95 -5.860 8.103 26.058 1.00 24.02 H new ATOM 1313 N LEU A 96 -9.912 10.829 21.058 1.00 64.44 N ATOM 1314 CA LEU A 96 -9.933 11.773 19.946 1.00 33.13 C ATOM 1315 C LEU A 96 -9.819 13.208 20.447 1.00 53.23 C ATOM 1316 O LEU A 96 -10.296 13.537 21.532 1.00 35.30 O ATOM 1317 CB LEU A 96 -11.216 11.605 19.132 1.00 22.35 C ATOM 1318 CG LEU A 96 -12.462 12.291 19.694 1.00 14.24 C ATOM 1319 CD1 LEU A 96 -12.810 13.521 18.871 1.00 20.31 C ATOM 1320 CD2 LEU A 96 -13.635 11.321 19.730 1.00 54.15 C ATOM 0 H LEU A 96 -10.195 11.227 21.954 1.00 64.44 H new ATOM 0 HA LEU A 96 -9.075 11.562 19.307 1.00 33.13 H new ATOM 0 HB2 LEU A 96 -11.038 11.987 18.127 1.00 22.35 H new ATOM 0 HB3 LEU A 96 -11.425 10.539 19.036 1.00 22.35 H new ATOM 0 HG LEU A 96 -12.249 12.610 20.714 1.00 14.24 H new ATOM 0 HD11 LEU A 96 -13.699 13.996 19.285 1.00 20.31 H new ATOM 0 HD12 LEU A 96 -11.977 14.224 18.897 1.00 20.31 H new ATOM 0 HD13 LEU A 96 -13.004 13.226 17.840 1.00 20.31 H new ATOM 0 HD21 LEU A 96 -14.513 11.826 20.133 1.00 54.15 H new ATOM 0 HD22 LEU A 96 -13.849 10.971 18.720 1.00 54.15 H new ATOM 0 HD23 LEU A 96 -13.384 10.470 20.363 1.00 54.15 H new ATOM 1332 N ASN A 97 -9.186 14.060 19.648 1.00 42.32 N ATOM 1333 CA ASN A 97 -9.012 15.463 20.010 1.00 11.54 C ATOM 1334 C ASN A 97 -8.156 15.598 21.266 1.00 11.44 C ATOM 1335 O ASN A 97 -8.543 16.264 22.225 1.00 52.40 O ATOM 1336 CB ASN A 97 -10.372 16.127 20.233 1.00 1.33 C ATOM 1337 CG ASN A 97 -10.371 17.592 19.843 1.00 10.44 C ATOM 1338 OD1 ASN A 97 -9.802 18.432 20.540 1.00 33.45 O ATOM 1339 ND2 ASN A 97 -11.011 17.906 18.721 1.00 72.05 N ATOM 0 H ASN A 97 -8.785 13.804 18.746 1.00 42.32 H new ATOM 0 HA ASN A 97 -8.502 15.964 19.187 1.00 11.54 H new ATOM 0 HB2 ASN A 97 -11.130 15.600 19.653 1.00 1.33 H new ATOM 0 HB3 ASN A 97 -10.651 16.033 21.282 1.00 1.33 H new ATOM 0 HD21 ASN A 97 -11.044 18.876 18.407 1.00 72.05 H new ATOM 0 HD22 ASN A 97 -11.469 17.177 18.174 1.00 72.05 H new ATOM 1346 N GLY A 98 -6.988 14.962 21.251 1.00 33.34 N ATOM 1347 CA GLY A 98 -6.095 15.024 22.393 1.00 21.41 C ATOM 1348 C GLY A 98 -6.545 14.126 23.530 1.00 41.40 C ATOM 1349 O GLY A 98 -6.141 14.316 24.677 1.00 4.32 O ATOM 0 H GLY A 98 -6.645 14.405 20.468 1.00 33.34 H new ATOM 0 HA2 GLY A 98 -5.091 14.735 22.082 1.00 21.41 H new ATOM 0 HA3 GLY A 98 -6.035 16.053 22.748 1.00 21.41 H new ATOM 1353 N GLY A 99 -7.385 13.146 23.211 1.00 51.13 N ATOM 1354 CA GLY A 99 -7.876 12.232 24.225 1.00 42.14 C ATOM 1355 C GLY A 99 -9.120 12.752 24.921 1.00 13.44 C ATOM 1356 O GLY A 99 -9.082 13.091 26.103 1.00 41.25 O ATOM 0 H GLY A 99 -7.734 12.969 22.269 1.00 51.13 H new ATOM 0 HA2 GLY A 99 -8.096 11.269 23.765 1.00 42.14 H new ATOM 0 HA3 GLY A 99 -7.094 12.061 24.965 1.00 42.14 H new ATOM 1360 N SER A 100 -10.224 12.817 24.184 1.00 33.23 N ATOM 1361 CA SER A 100 -11.483 13.304 24.735 1.00 53.21 C ATOM 1362 C SER A 100 -12.669 12.753 23.950 1.00 2.34 C ATOM 1363 O SER A 100 -12.949 13.196 22.835 1.00 14.12 O ATOM 1364 CB SER A 100 -11.512 14.833 24.720 1.00 61.13 C ATOM 1365 OG SER A 100 -12.838 15.319 24.846 1.00 73.02 O ATOM 0 H SER A 100 -10.272 12.539 23.204 1.00 33.23 H new ATOM 0 HA SER A 100 -11.559 12.956 25.765 1.00 53.21 H new ATOM 0 HB2 SER A 100 -10.901 15.220 25.535 1.00 61.13 H new ATOM 0 HB3 SER A 100 -11.074 15.199 23.792 1.00 61.13 H new ATOM 0 HG SER A 100 -12.830 16.299 24.835 1.00 73.02 H new ATOM 1371 N CYS A 101 -13.362 11.786 24.539 1.00 25.54 N ATOM 1372 CA CYS A 101 -14.520 11.173 23.895 1.00 15.22 C ATOM 1373 C CYS A 101 -15.569 10.775 24.928 1.00 43.32 C ATOM 1374 O CYS A 101 -15.236 10.314 26.019 1.00 22.54 O ATOM 1375 CB CYS A 101 -14.089 9.947 23.087 1.00 65.54 C ATOM 1376 SG CYS A 101 -15.446 9.121 22.223 1.00 11.12 S ATOM 0 H CYS A 101 -13.143 11.409 25.461 1.00 25.54 H new ATOM 0 HA CYS A 101 -14.962 11.907 23.221 1.00 15.22 H new ATOM 0 HB2 CYS A 101 -13.339 10.251 22.357 1.00 65.54 H new ATOM 0 HB3 CYS A 101 -13.610 9.233 23.757 1.00 65.54 H new ATOM 0 HG CYS A 101 -14.982 8.105 21.557 1.00 11.12 H new