USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=35 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 117:sc= 0.89 USER MOD Set 1.2: A 101 CYS SG : rot 180:sc= -0.374 USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 45 THR OG1 : rot 180:sc= -0.982 USER MOD Set 3.1: A 33 SER OG : rot 180:sc= -0.264 USER MOD Set 3.2: A 34 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 11 THR OG1 : rot 64:sc= 0.383 USER MOD Set 4.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 25:sc= 0.0418 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 151:sc= -0.564 (180deg=-1.48!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 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= -0.152 X(o=-0.15,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0854 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 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 18:sc= 0.0175 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc=-0.00545 USER MOD Single : A 57 ASN : amide:sc= -0.407 K(o=-0.41,f=-1.4!) USER MOD Single : A 58 SER OG : rot -6:sc= 0.898 USER MOD Single : A 61 HIS : no HE2:sc= -2.25 X(o=-2.3,f=-1.9!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= -0.324 (180deg=-0.349) USER MOD Single : A 66 ASN : amide:sc= -2.16 K(o=-2.2,f=-4.1!) USER MOD Single : A 70 ASN : amide:sc= -2.63 K(o=-2.6,f=-4.1) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 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= -2.23 K(o=-2.2,f=-5!) 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= -0.091 USER MOD Single : A 93 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.37) USER MOD Single : A 95 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0232) USER MOD Single : A 97 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.9!) USER MOD Single : A 100 SER OG : rot -14:sc= 0.401 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 5 -17.261 14.761 20.848 1.00 15.10 N ATOM 47 CA THR A 5 -17.616 13.422 21.301 1.00 63.24 C ATOM 48 C THR A 5 -17.946 12.512 20.124 1.00 43.02 C ATOM 49 O THR A 5 -18.518 12.954 19.128 1.00 21.32 O ATOM 50 CB THR A 5 -18.820 13.456 22.262 1.00 71.14 C ATOM 51 OG1 THR A 5 -18.502 14.241 23.418 1.00 12.02 O ATOM 52 CG2 THR A 5 -19.210 12.050 22.690 1.00 63.21 C ATOM 0 HA THR A 5 -16.748 13.027 21.829 1.00 63.24 H new ATOM 0 HB THR A 5 -19.663 13.906 21.738 1.00 71.14 H new ATOM 0 HG1 THR A 5 -17.794 14.880 23.195 1.00 12.02 H new ATOM 0 HG21 THR A 5 -20.062 12.099 23.368 1.00 63.21 H new ATOM 0 HG22 THR A 5 -19.479 11.464 21.811 1.00 63.21 H new ATOM 0 HG23 THR A 5 -18.369 11.578 23.198 1.00 63.21 H new ATOM 60 N ALA A 6 -17.583 11.241 20.246 1.00 32.54 N ATOM 61 CA ALA A 6 -17.843 10.267 19.193 1.00 44.20 C ATOM 62 C ALA A 6 -18.352 8.952 19.773 1.00 34.24 C ATOM 63 O ALA A 6 -18.224 8.698 20.972 1.00 53.42 O ATOM 64 CB ALA A 6 -16.585 10.031 18.370 1.00 2.43 C ATOM 0 H ALA A 6 -17.107 10.860 21.064 1.00 32.54 H new ATOM 0 HA ALA A 6 -18.619 10.671 18.543 1.00 44.20 H new ATOM 0 HB1 ALA A 6 -16.794 9.302 17.587 1.00 2.43 H new ATOM 0 HB2 ALA A 6 -16.266 10.969 17.916 1.00 2.43 H new ATOM 0 HB3 ALA A 6 -15.793 9.653 19.016 1.00 2.43 H new ATOM 70 N THR A 7 -18.931 8.117 18.917 1.00 13.13 N ATOM 71 CA THR A 7 -19.461 6.829 19.344 1.00 30.40 C ATOM 72 C THR A 7 -19.111 5.731 18.346 1.00 72.31 C ATOM 73 O THR A 7 -19.279 5.900 17.139 1.00 3.13 O ATOM 74 CB THR A 7 -20.991 6.880 19.518 1.00 74.53 C ATOM 75 OG1 THR A 7 -21.382 8.156 20.038 1.00 14.13 O ATOM 76 CG2 THR A 7 -21.467 5.778 20.454 1.00 12.50 C ATOM 0 H THR A 7 -19.045 8.310 17.922 1.00 13.13 H new ATOM 0 HA THR A 7 -19.001 6.602 20.306 1.00 30.40 H new ATOM 0 HB THR A 7 -21.451 6.729 18.541 1.00 74.53 H new ATOM 0 HG1 THR A 7 -22.356 8.181 20.144 1.00 14.13 H new ATOM 0 HG21 THR A 7 -22.550 5.834 20.561 1.00 12.50 H new ATOM 0 HG22 THR A 7 -21.193 4.807 20.042 1.00 12.50 H new ATOM 0 HG23 THR A 7 -20.999 5.903 21.430 1.00 12.50 H new ATOM 84 N PHE A 8 -18.625 4.605 18.859 1.00 12.03 N ATOM 85 CA PHE A 8 -18.251 3.479 18.011 1.00 35.51 C ATOM 86 C PHE A 8 -19.489 2.776 17.463 1.00 2.31 C ATOM 87 O PHE A 8 -20.396 2.416 18.214 1.00 14.12 O ATOM 88 CB PHE A 8 -17.393 2.484 18.796 1.00 51.53 C ATOM 89 CG PHE A 8 -17.044 1.248 18.018 1.00 63.50 C ATOM 90 CD1 PHE A 8 -16.345 1.337 16.826 1.00 50.44 C ATOM 91 CD2 PHE A 8 -17.415 -0.004 18.481 1.00 5.25 C ATOM 92 CE1 PHE A 8 -16.024 0.201 16.108 1.00 54.14 C ATOM 93 CE2 PHE A 8 -17.097 -1.144 17.766 1.00 61.32 C ATOM 94 CZ PHE A 8 -16.399 -1.041 16.580 1.00 12.21 C ATOM 0 H PHE A 8 -18.481 4.448 19.857 1.00 12.03 H new ATOM 0 HA PHE A 8 -17.672 3.866 17.172 1.00 35.51 H new ATOM 0 HB2 PHE A 8 -16.473 2.978 19.109 1.00 51.53 H new ATOM 0 HB3 PHE A 8 -17.924 2.195 19.703 1.00 51.53 H new ATOM 0 HD1 PHE A 8 -16.047 2.306 16.453 1.00 50.44 H new ATOM 0 HD2 PHE A 8 -17.958 -0.090 19.410 1.00 5.25 H new ATOM 0 HE1 PHE A 8 -15.480 0.285 15.179 1.00 54.14 H new ATOM 0 HE2 PHE A 8 -17.395 -2.114 18.135 1.00 61.32 H new ATOM 0 HZ PHE A 8 -16.147 -1.931 16.022 1.00 12.21 H new ATOM 104 N ALA A 9 -19.520 2.585 16.148 1.00 24.04 N ATOM 105 CA ALA A 9 -20.646 1.925 15.498 1.00 22.40 C ATOM 106 C ALA A 9 -20.169 0.827 14.553 1.00 72.25 C ATOM 107 O ALA A 9 -19.049 0.877 14.043 1.00 43.35 O ATOM 108 CB ALA A 9 -21.492 2.941 14.745 1.00 62.45 C ATOM 0 H ALA A 9 -18.778 2.878 15.512 1.00 24.04 H new ATOM 0 HA ALA A 9 -21.258 1.462 16.272 1.00 22.40 H new ATOM 0 HB1 ALA A 9 -22.329 2.433 14.265 1.00 62.45 H new ATOM 0 HB2 ALA A 9 -21.872 3.687 15.443 1.00 62.45 H new ATOM 0 HB3 ALA A 9 -20.882 3.432 13.987 1.00 62.45 H new ATOM 114 N LYS A 10 -21.024 -0.164 14.324 1.00 53.02 N ATOM 115 CA LYS A 10 -20.690 -1.274 13.441 1.00 0.43 C ATOM 116 C LYS A 10 -21.300 -1.071 12.057 1.00 61.34 C ATOM 117 O LYS A 10 -22.394 -0.519 11.924 1.00 33.35 O ATOM 118 CB LYS A 10 -21.181 -2.594 14.037 1.00 24.01 C ATOM 119 CG LYS A 10 -20.145 -3.705 13.995 1.00 45.55 C ATOM 120 CD LYS A 10 -20.227 -4.494 12.700 1.00 13.23 C ATOM 121 CE LYS A 10 -18.923 -5.220 12.407 1.00 35.43 C ATOM 122 NZ LYS A 10 -18.510 -6.097 13.538 1.00 61.42 N ATOM 0 H LYS A 10 -21.954 -0.221 14.738 1.00 53.02 H new ATOM 0 HA LYS A 10 -19.605 -1.310 13.340 1.00 0.43 H new ATOM 0 HB2 LYS A 10 -21.480 -2.427 15.072 1.00 24.01 H new ATOM 0 HB3 LYS A 10 -22.071 -2.918 13.497 1.00 24.01 H new ATOM 0 HG2 LYS A 10 -19.148 -3.278 14.099 1.00 45.55 H new ATOM 0 HG3 LYS A 10 -20.295 -4.376 14.841 1.00 45.55 H new ATOM 0 HD2 LYS A 10 -21.041 -5.216 12.764 1.00 13.23 H new ATOM 0 HD3 LYS A 10 -20.463 -3.820 11.876 1.00 13.23 H new ATOM 0 HE2 LYS A 10 -19.037 -5.821 11.505 1.00 35.43 H new ATOM 0 HE3 LYS A 10 -18.138 -4.490 12.208 1.00 35.43 H new ATOM 0 HZ1 LYS A 10 -17.961 -6.901 13.172 1.00 61.42 H new ATOM 0 HZ2 LYS A 10 -17.925 -5.553 14.204 1.00 61.42 H new ATOM 0 HZ3 LYS A 10 -19.355 -6.451 14.029 1.00 61.42 H new ATOM 136 N THR A 11 -20.587 -1.520 11.028 1.00 65.35 N ATOM 137 CA THR A 11 -21.059 -1.387 9.656 1.00 12.04 C ATOM 138 C THR A 11 -21.539 -2.726 9.108 1.00 62.33 C ATOM 139 O THR A 11 -22.695 -2.865 8.707 1.00 12.21 O ATOM 140 CB THR A 11 -19.956 -0.833 8.734 1.00 32.41 C ATOM 141 OG1 THR A 11 -19.124 0.079 9.459 1.00 63.21 O ATOM 142 CG2 THR A 11 -20.562 -0.128 7.529 1.00 32.42 C ATOM 0 H THR A 11 -19.681 -1.979 11.120 1.00 65.35 H new ATOM 0 HA THR A 11 -21.893 -0.685 9.675 1.00 12.04 H new ATOM 0 HB THR A 11 -19.354 -1.670 8.380 1.00 32.41 H new ATOM 0 HG1 THR A 11 -18.659 -0.401 10.176 1.00 63.21 H new ATOM 0 HG21 THR A 11 -19.764 0.255 6.892 1.00 32.42 H new ATOM 0 HG22 THR A 11 -21.171 -0.833 6.963 1.00 32.42 H new ATOM 0 HG23 THR A 11 -21.185 0.700 7.867 1.00 32.42 H new ATOM 150 N SER A 12 -20.645 -3.710 9.095 1.00 11.41 N ATOM 151 CA SER A 12 -20.977 -5.038 8.593 1.00 72.02 C ATOM 152 C SER A 12 -19.780 -5.976 8.705 1.00 14.31 C ATOM 153 O SER A 12 -18.669 -5.634 8.297 1.00 70.24 O ATOM 154 CB SER A 12 -21.440 -4.955 7.137 1.00 43.22 C ATOM 155 OG SER A 12 -20.661 -4.024 6.406 1.00 11.22 O ATOM 0 H SER A 12 -19.685 -3.612 9.426 1.00 11.41 H new ATOM 0 HA SER A 12 -21.788 -5.437 9.202 1.00 72.02 H new ATOM 0 HB2 SER A 12 -21.368 -5.938 6.673 1.00 43.22 H new ATOM 0 HB3 SER A 12 -22.489 -4.663 7.102 1.00 43.22 H new ATOM 0 HG SER A 12 -20.976 -3.991 5.479 1.00 11.22 H new ATOM 161 N ASP A 13 -20.013 -7.160 9.259 1.00 31.03 N ATOM 162 CA ASP A 13 -18.955 -8.150 9.424 1.00 73.44 C ATOM 163 C ASP A 13 -19.263 -9.413 8.626 1.00 72.33 C ATOM 164 O ASP A 13 -20.340 -9.993 8.757 1.00 22.23 O ATOM 165 CB ASP A 13 -18.777 -8.496 10.903 1.00 43.11 C ATOM 166 CG ASP A 13 -20.099 -8.601 11.636 1.00 25.23 C ATOM 167 OD1 ASP A 13 -20.641 -7.549 12.039 1.00 71.31 O ATOM 168 OD2 ASP A 13 -20.595 -9.734 11.806 1.00 63.31 O ATOM 0 H ASP A 13 -20.926 -7.458 9.602 1.00 31.03 H new ATOM 0 HA ASP A 13 -18.027 -7.721 9.046 1.00 73.44 H new ATOM 0 HB2 ASP A 13 -18.241 -9.441 10.990 1.00 43.11 H new ATOM 0 HB3 ASP A 13 -18.160 -7.734 11.380 1.00 43.11 H new ATOM 173 N TRP A 14 -18.310 -9.832 7.803 1.00 10.55 N ATOM 174 CA TRP A 14 -18.480 -11.027 6.982 1.00 14.14 C ATOM 175 C TRP A 14 -17.556 -12.145 7.451 1.00 71.33 C ATOM 176 O TRP A 14 -16.429 -12.274 6.975 1.00 3.40 O ATOM 177 CB TRP A 14 -18.206 -10.705 5.512 1.00 70.20 C ATOM 178 CG TRP A 14 -16.940 -9.931 5.299 1.00 32.31 C ATOM 179 CD1 TRP A 14 -15.733 -10.429 4.898 1.00 13.11 C ATOM 180 CD2 TRP A 14 -16.756 -8.523 5.479 1.00 74.14 C ATOM 181 NE1 TRP A 14 -14.810 -9.415 4.818 1.00 13.34 N ATOM 182 CE2 TRP A 14 -15.412 -8.236 5.168 1.00 51.23 C ATOM 183 CE3 TRP A 14 -17.594 -7.477 5.870 1.00 71.31 C ATOM 184 CZ2 TRP A 14 -14.891 -6.947 5.239 1.00 3.50 C ATOM 185 CZ3 TRP A 14 -17.076 -6.198 5.940 1.00 61.02 C ATOM 186 CH2 TRP A 14 -15.735 -5.941 5.624 1.00 62.34 C ATOM 0 H TRP A 14 -17.412 -9.363 7.685 1.00 10.55 H new ATOM 0 HA TRP A 14 -19.511 -11.365 7.086 1.00 14.14 H new ATOM 0 HB2 TRP A 14 -18.154 -11.636 4.947 1.00 70.20 H new ATOM 0 HB3 TRP A 14 -19.044 -10.135 5.110 1.00 70.20 H new ATOM 0 HD1 TRP A 14 -15.534 -11.467 4.676 1.00 13.11 H new ATOM 0 HE1 TRP A 14 -13.834 -9.523 4.542 1.00 13.34 H new ATOM 0 HE3 TRP A 14 -18.629 -7.664 6.114 1.00 71.31 H new ATOM 0 HZ2 TRP A 14 -13.857 -6.748 4.999 1.00 3.50 H new ATOM 0 HZ3 TRP A 14 -17.715 -5.382 6.243 1.00 61.02 H new ATOM 0 HH2 TRP A 14 -15.361 -4.930 5.686 1.00 62.34 H new ATOM 197 N GLY A 15 -18.040 -12.954 8.390 1.00 44.22 N ATOM 198 CA GLY A 15 -17.244 -14.051 8.907 1.00 44.23 C ATOM 199 C GLY A 15 -16.143 -13.580 9.836 1.00 62.44 C ATOM 200 O GLY A 15 -16.359 -13.423 11.039 1.00 33.22 O ATOM 0 H GLY A 15 -18.969 -12.868 8.801 1.00 44.22 H new ATOM 0 HA2 GLY A 15 -17.892 -14.747 9.440 1.00 44.23 H new ATOM 0 HA3 GLY A 15 -16.803 -14.600 8.075 1.00 44.23 H new ATOM 204 N THR A 16 -14.957 -13.355 9.280 1.00 45.44 N ATOM 205 CA THR A 16 -13.817 -12.902 10.066 1.00 62.54 C ATOM 206 C THR A 16 -13.588 -11.405 9.892 1.00 3.31 C ATOM 207 O THR A 16 -12.903 -10.774 10.695 1.00 64.20 O ATOM 208 CB THR A 16 -12.532 -13.655 9.678 1.00 53.22 C ATOM 209 OG1 THR A 16 -11.423 -13.157 10.435 1.00 3.22 O ATOM 210 CG2 THR A 16 -12.244 -13.505 8.191 1.00 22.41 C ATOM 0 H THR A 16 -14.761 -13.479 8.287 1.00 45.44 H new ATOM 0 HA THR A 16 -14.051 -13.112 11.110 1.00 62.54 H new ATOM 0 HB THR A 16 -12.677 -14.712 9.900 1.00 53.22 H new ATOM 0 HG1 THR A 16 -10.610 -13.643 10.183 1.00 3.22 H new ATOM 0 HG21 THR A 16 -11.331 -14.046 7.941 1.00 22.41 H new ATOM 0 HG22 THR A 16 -13.076 -13.912 7.616 1.00 22.41 H new ATOM 0 HG23 THR A 16 -12.118 -12.450 7.949 1.00 22.41 H new ATOM 218 N GLY A 17 -14.167 -10.842 8.835 1.00 53.25 N ATOM 219 CA GLY A 17 -14.014 -9.422 8.574 1.00 13.21 C ATOM 220 C GLY A 17 -15.071 -8.588 9.268 1.00 63.12 C ATOM 221 O GLY A 17 -16.200 -9.040 9.462 1.00 44.45 O ATOM 0 H GLY A 17 -14.739 -11.344 8.155 1.00 53.25 H new ATOM 0 HA2 GLY A 17 -13.027 -9.099 8.904 1.00 13.21 H new ATOM 0 HA3 GLY A 17 -14.064 -9.246 7.500 1.00 13.21 H new ATOM 225 N PHE A 18 -14.707 -7.367 9.645 1.00 3.41 N ATOM 226 CA PHE A 18 -15.633 -6.468 10.324 1.00 23.41 C ATOM 227 C PHE A 18 -15.526 -5.052 9.764 1.00 21.13 C ATOM 228 O PHE A 18 -14.445 -4.602 9.388 1.00 53.24 O ATOM 229 CB PHE A 18 -15.355 -6.457 11.828 1.00 42.14 C ATOM 230 CG PHE A 18 -14.190 -5.591 12.216 1.00 44.22 C ATOM 231 CD1 PHE A 18 -14.377 -4.250 12.518 1.00 15.34 C ATOM 232 CD2 PHE A 18 -12.910 -6.115 12.278 1.00 32.42 C ATOM 233 CE1 PHE A 18 -13.307 -3.452 12.874 1.00 41.11 C ATOM 234 CE2 PHE A 18 -11.836 -5.322 12.635 1.00 42.30 C ATOM 235 CZ PHE A 18 -12.035 -3.988 12.933 1.00 73.32 C ATOM 0 H PHE A 18 -13.777 -6.977 9.492 1.00 3.41 H new ATOM 0 HA PHE A 18 -16.646 -6.832 10.152 1.00 23.41 H new ATOM 0 HB2 PHE A 18 -16.246 -6.110 12.352 1.00 42.14 H new ATOM 0 HB3 PHE A 18 -15.166 -7.477 12.162 1.00 42.14 H new ATOM 0 HD1 PHE A 18 -15.369 -3.826 12.474 1.00 15.34 H new ATOM 0 HD2 PHE A 18 -12.749 -7.157 12.044 1.00 32.42 H new ATOM 0 HE1 PHE A 18 -13.465 -2.409 13.106 1.00 41.11 H new ATOM 0 HE2 PHE A 18 -10.843 -5.744 12.681 1.00 42.30 H new ATOM 0 HZ PHE A 18 -11.198 -3.365 13.212 1.00 73.32 H new ATOM 245 N GLY A 19 -16.657 -4.356 9.712 1.00 50.42 N ATOM 246 CA GLY A 19 -16.670 -2.999 9.196 1.00 11.03 C ATOM 247 C GLY A 19 -16.785 -1.962 10.295 1.00 64.21 C ATOM 248 O GLY A 19 -17.816 -1.865 10.961 1.00 21.34 O ATOM 0 H GLY A 19 -17.565 -4.707 10.018 1.00 50.42 H new ATOM 0 HA2 GLY A 19 -15.757 -2.821 8.627 1.00 11.03 H new ATOM 0 HA3 GLY A 19 -17.504 -2.885 8.504 1.00 11.03 H new ATOM 252 N GLY A 20 -15.724 -1.186 10.488 1.00 50.35 N ATOM 253 CA GLY A 20 -15.732 -0.162 11.517 1.00 51.44 C ATOM 254 C GLY A 20 -16.424 1.109 11.066 1.00 62.22 C ATOM 255 O GLY A 20 -16.349 1.483 9.896 1.00 61.12 O ATOM 0 H GLY A 20 -14.859 -1.247 9.951 1.00 50.35 H new ATOM 0 HA2 GLY A 20 -16.232 -0.548 12.405 1.00 51.44 H new ATOM 0 HA3 GLY A 20 -14.706 0.069 11.803 1.00 51.44 H new ATOM 259 N SER A 21 -17.102 1.774 11.997 1.00 51.50 N ATOM 260 CA SER A 21 -17.815 3.008 11.687 1.00 65.40 C ATOM 261 C SER A 21 -17.756 3.978 12.862 1.00 42.44 C ATOM 262 O SER A 21 -18.525 3.864 13.816 1.00 14.13 O ATOM 263 CB SER A 21 -19.273 2.703 11.335 1.00 54.53 C ATOM 264 OG SER A 21 -19.609 3.227 10.062 1.00 1.05 O ATOM 0 H SER A 21 -17.172 1.479 12.971 1.00 51.50 H new ATOM 0 HA SER A 21 -17.331 3.474 10.829 1.00 65.40 H new ATOM 0 HB2 SER A 21 -19.435 1.625 11.343 1.00 54.53 H new ATOM 0 HB3 SER A 21 -19.930 3.129 12.093 1.00 54.53 H new ATOM 0 HG SER A 21 -20.545 3.018 9.859 1.00 1.05 H new ATOM 270 N TRP A 22 -16.837 4.935 12.785 1.00 45.11 N ATOM 271 CA TRP A 22 -16.676 5.927 13.841 1.00 51.21 C ATOM 272 C TRP A 22 -17.502 7.175 13.546 1.00 52.23 C ATOM 273 O TRP A 22 -17.361 7.790 12.489 1.00 54.51 O ATOM 274 CB TRP A 22 -15.201 6.301 13.998 1.00 1.52 C ATOM 275 CG TRP A 22 -14.347 5.164 14.469 1.00 22.11 C ATOM 276 CD1 TRP A 22 -13.578 4.342 13.697 1.00 13.34 C ATOM 277 CD2 TRP A 22 -14.178 4.723 15.821 1.00 53.32 C ATOM 278 NE1 TRP A 22 -12.939 3.416 14.487 1.00 31.02 N ATOM 279 CE2 TRP A 22 -13.290 3.629 15.793 1.00 71.40 C ATOM 280 CE3 TRP A 22 -14.687 5.146 17.051 1.00 44.14 C ATOM 281 CZ2 TRP A 22 -12.905 2.954 16.949 1.00 40.32 C ATOM 282 CZ3 TRP A 22 -14.304 4.476 18.197 1.00 53.21 C ATOM 283 CH2 TRP A 22 -13.419 3.391 18.140 1.00 63.31 C ATOM 0 H TRP A 22 -16.192 5.044 12.002 1.00 45.11 H new ATOM 0 HA TRP A 22 -17.033 5.490 14.773 1.00 51.21 H new ATOM 0 HB2 TRP A 22 -14.821 6.660 13.041 1.00 1.52 H new ATOM 0 HB3 TRP A 22 -15.116 7.127 14.705 1.00 1.52 H new ATOM 0 HD1 TRP A 22 -13.485 4.409 12.623 1.00 13.34 H new ATOM 0 HE1 TRP A 22 -12.306 2.689 14.154 1.00 31.02 H new ATOM 0 HE3 TRP A 22 -15.368 5.982 17.105 1.00 44.14 H new ATOM 0 HZ2 TRP A 22 -12.225 2.116 16.907 1.00 40.32 H new ATOM 0 HZ3 TRP A 22 -14.693 4.794 19.153 1.00 53.21 H new ATOM 0 HH2 TRP A 22 -13.137 2.890 19.054 1.00 63.31 H new ATOM 294 N THR A 23 -18.363 7.546 14.488 1.00 62.53 N ATOM 295 CA THR A 23 -19.211 8.720 14.329 1.00 2.31 C ATOM 296 C THR A 23 -18.713 9.879 15.185 1.00 31.33 C ATOM 297 O THR A 23 -18.940 9.913 16.394 1.00 33.22 O ATOM 298 CB THR A 23 -20.673 8.412 14.703 1.00 21.50 C ATOM 299 OG1 THR A 23 -21.164 7.326 13.909 1.00 11.31 O ATOM 300 CG2 THR A 23 -21.554 9.636 14.498 1.00 35.34 C ATOM 0 H THR A 23 -18.491 7.050 15.370 1.00 62.53 H new ATOM 0 HA THR A 23 -19.164 9.003 13.277 1.00 2.31 H new ATOM 0 HB THR A 23 -20.704 8.134 15.757 1.00 21.50 H new ATOM 0 HG1 THR A 23 -22.093 7.136 14.154 1.00 11.31 H new ATOM 0 HG21 THR A 23 -22.582 9.394 14.769 1.00 35.34 H new ATOM 0 HG22 THR A 23 -21.196 10.452 15.126 1.00 35.34 H new ATOM 0 HG23 THR A 23 -21.516 9.940 13.452 1.00 35.34 H new ATOM 308 N VAL A 24 -18.034 10.829 14.549 1.00 62.11 N ATOM 309 CA VAL A 24 -17.505 11.990 15.253 1.00 44.55 C ATOM 310 C VAL A 24 -18.416 13.201 15.076 1.00 53.11 C ATOM 311 O VAL A 24 -18.829 13.524 13.962 1.00 75.33 O ATOM 312 CB VAL A 24 -16.091 12.350 14.760 1.00 4.43 C ATOM 313 CG1 VAL A 24 -15.498 13.468 15.604 1.00 4.14 C ATOM 314 CG2 VAL A 24 -15.192 11.122 14.781 1.00 4.43 C ATOM 0 H VAL A 24 -17.838 10.817 13.548 1.00 62.11 H new ATOM 0 HA VAL A 24 -17.457 11.725 16.309 1.00 44.55 H new ATOM 0 HB VAL A 24 -16.163 12.704 13.731 1.00 4.43 H new ATOM 0 HG11 VAL A 24 -14.499 13.708 15.240 1.00 4.14 H new ATOM 0 HG12 VAL A 24 -16.132 14.352 15.534 1.00 4.14 H new ATOM 0 HG13 VAL A 24 -15.438 13.146 16.644 1.00 4.14 H new ATOM 0 HG21 VAL A 24 -14.197 11.394 14.430 1.00 4.43 H new ATOM 0 HG22 VAL A 24 -15.125 10.737 15.799 1.00 4.43 H new ATOM 0 HG23 VAL A 24 -15.610 10.354 14.130 1.00 4.43 H new ATOM 324 N LYS A 25 -18.724 13.869 16.183 1.00 52.33 N ATOM 325 CA LYS A 25 -19.584 15.046 16.152 1.00 75.20 C ATOM 326 C LYS A 25 -19.067 16.122 17.102 1.00 4.52 C ATOM 327 O LYS A 25 -18.992 15.911 18.311 1.00 61.33 O ATOM 328 CB LYS A 25 -21.017 14.665 16.528 1.00 4.22 C ATOM 329 CG LYS A 25 -22.074 15.472 15.793 1.00 30.35 C ATOM 330 CD LYS A 25 -23.137 15.997 16.743 1.00 54.32 C ATOM 331 CE LYS A 25 -24.523 15.931 16.121 1.00 74.35 C ATOM 332 NZ LYS A 25 -25.478 16.853 16.797 1.00 40.40 N ATOM 0 H LYS A 25 -18.391 13.615 17.113 1.00 52.33 H new ATOM 0 HA LYS A 25 -19.575 15.446 15.138 1.00 75.20 H new ATOM 0 HB2 LYS A 25 -21.169 13.606 16.318 1.00 4.22 H new ATOM 0 HB3 LYS A 25 -21.150 14.800 17.601 1.00 4.22 H new ATOM 0 HG2 LYS A 25 -21.601 16.308 15.277 1.00 30.35 H new ATOM 0 HG3 LYS A 25 -22.542 14.850 15.030 1.00 30.35 H new ATOM 0 HD2 LYS A 25 -23.123 15.415 17.664 1.00 54.32 H new ATOM 0 HD3 LYS A 25 -22.907 17.028 17.014 1.00 54.32 H new ATOM 0 HE2 LYS A 25 -24.459 16.186 15.063 1.00 74.35 H new ATOM 0 HE3 LYS A 25 -24.900 14.910 16.181 1.00 74.35 H new ATOM 0 HZ1 LYS A 25 -26.411 16.779 16.344 1.00 40.40 H new ATOM 0 HZ2 LYS A 25 -25.559 16.594 17.801 1.00 40.40 H new ATOM 0 HZ3 LYS A 25 -25.132 17.830 16.718 1.00 40.40 H new ATOM 346 N ASN A 26 -18.714 17.277 16.545 1.00 33.34 N ATOM 347 CA ASN A 26 -18.206 18.386 17.343 1.00 13.11 C ATOM 348 C ASN A 26 -19.164 19.572 17.297 1.00 54.34 C ATOM 349 O ASN A 26 -19.191 20.326 16.324 1.00 2.40 O ATOM 350 CB ASN A 26 -16.825 18.811 16.841 1.00 53.45 C ATOM 351 CG ASN A 26 -15.967 17.628 16.433 1.00 62.21 C ATOM 352 OD1 ASN A 26 -15.349 17.633 15.369 1.00 60.11 O ATOM 353 ND2 ASN A 26 -15.927 16.607 17.282 1.00 4.33 N ATOM 0 H ASN A 26 -18.771 17.468 15.545 1.00 33.34 H new ATOM 0 HA ASN A 26 -18.122 18.050 18.376 1.00 13.11 H new ATOM 0 HB2 ASN A 26 -16.942 19.482 15.990 1.00 53.45 H new ATOM 0 HB3 ASN A 26 -16.315 19.374 17.623 1.00 53.45 H new ATOM 0 HD21 ASN A 26 -15.367 15.783 17.063 1.00 4.33 H new ATOM 0 HD22 ASN A 26 -16.456 16.647 18.153 1.00 4.33 H new ATOM 360 N THR A 27 -19.948 19.733 18.358 1.00 41.35 N ATOM 361 CA THR A 27 -20.907 20.828 18.440 1.00 4.53 C ATOM 362 C THR A 27 -20.794 21.561 19.772 1.00 15.51 C ATOM 363 O THR A 27 -20.680 20.938 20.826 1.00 74.15 O ATOM 364 CB THR A 27 -22.353 20.322 18.268 1.00 12.43 C ATOM 365 OG1 THR A 27 -23.265 21.424 18.310 1.00 4.51 O ATOM 366 CG2 THR A 27 -22.708 19.319 19.355 1.00 51.30 C ATOM 0 H THR A 27 -19.938 19.119 19.173 1.00 41.35 H new ATOM 0 HA THR A 27 -20.670 21.516 17.629 1.00 4.53 H new ATOM 0 HB THR A 27 -22.429 19.826 17.301 1.00 12.43 H new ATOM 0 HG1 THR A 27 -24.181 21.095 18.198 1.00 4.51 H new ATOM 0 HG21 THR A 27 -23.733 18.976 19.213 1.00 51.30 H new ATOM 0 HG22 THR A 27 -22.030 18.468 19.300 1.00 51.30 H new ATOM 0 HG23 THR A 27 -22.616 19.794 20.332 1.00 51.30 H new ATOM 374 N GLY A 28 -20.826 22.890 19.715 1.00 34.41 N ATOM 375 CA GLY A 28 -20.725 23.686 20.925 1.00 23.15 C ATOM 376 C GLY A 28 -19.300 24.100 21.229 1.00 52.31 C ATOM 377 O GLY A 28 -19.057 25.199 21.730 1.00 25.41 O ATOM 0 H GLY A 28 -20.920 23.428 18.854 1.00 34.41 H new ATOM 0 HA2 GLY A 28 -21.345 24.577 20.823 1.00 23.15 H new ATOM 0 HA3 GLY A 28 -21.122 23.116 21.765 1.00 23.15 H new ATOM 381 N THR A 29 -18.351 23.219 20.926 1.00 63.24 N ATOM 382 CA THR A 29 -16.943 23.499 21.173 1.00 35.12 C ATOM 383 C THR A 29 -16.498 24.766 20.452 1.00 3.10 C ATOM 384 O THR A 29 -17.278 25.387 19.729 1.00 10.15 O ATOM 385 CB THR A 29 -16.051 22.326 20.723 1.00 14.11 C ATOM 386 OG1 THR A 29 -16.833 21.134 20.602 1.00 32.32 O ATOM 387 CG2 THR A 29 -14.917 22.097 21.712 1.00 63.45 C ATOM 0 H THR A 29 -18.533 22.306 20.509 1.00 63.24 H new ATOM 0 HA THR A 29 -16.833 23.640 22.248 1.00 35.12 H new ATOM 0 HB THR A 29 -15.621 22.577 19.754 1.00 14.11 H new ATOM 0 HG1 THR A 29 -16.259 20.394 20.314 1.00 32.32 H new ATOM 0 HG21 THR A 29 -14.301 21.264 21.373 1.00 63.45 H new ATOM 0 HG22 THR A 29 -14.305 22.997 21.779 1.00 63.45 H new ATOM 0 HG23 THR A 29 -15.331 21.866 22.693 1.00 63.45 H new ATOM 395 N THR A 30 -15.241 25.147 20.653 1.00 34.55 N ATOM 396 CA THR A 30 -14.693 26.341 20.022 1.00 31.00 C ATOM 397 C THR A 30 -14.310 26.070 18.571 1.00 72.55 C ATOM 398 O THR A 30 -14.361 24.930 18.108 1.00 54.14 O ATOM 399 CB THR A 30 -13.456 26.859 20.780 1.00 13.20 C ATOM 400 OG1 THR A 30 -12.994 25.865 21.701 1.00 12.20 O ATOM 401 CG2 THR A 30 -13.779 28.143 21.530 1.00 14.22 C ATOM 0 H THR A 30 -14.582 24.645 21.249 1.00 34.55 H new ATOM 0 HA THR A 30 -15.473 27.101 20.052 1.00 31.00 H new ATOM 0 HB THR A 30 -12.673 27.070 20.052 1.00 13.20 H new ATOM 0 HG1 THR A 30 -12.206 26.201 22.178 1.00 12.20 H new ATOM 0 HG21 THR A 30 -12.890 28.490 22.058 1.00 14.22 H new ATOM 0 HG22 THR A 30 -14.102 28.906 20.822 1.00 14.22 H new ATOM 0 HG23 THR A 30 -14.577 27.954 22.248 1.00 14.22 H new ATOM 409 N SER A 31 -13.926 27.124 17.859 1.00 45.42 N ATOM 410 CA SER A 31 -13.537 26.999 16.459 1.00 44.42 C ATOM 411 C SER A 31 -12.486 25.908 16.282 1.00 42.51 C ATOM 412 O SER A 31 -11.331 26.072 16.677 1.00 5.40 O ATOM 413 CB SER A 31 -12.997 28.333 15.938 1.00 33.05 C ATOM 414 OG SER A 31 -13.984 29.028 15.195 1.00 13.01 O ATOM 0 H SER A 31 -13.876 28.074 18.228 1.00 45.42 H new ATOM 0 HA SER A 31 -14.421 26.723 15.885 1.00 44.42 H new ATOM 0 HB2 SER A 31 -12.668 28.948 16.776 1.00 33.05 H new ATOM 0 HB3 SER A 31 -12.123 28.155 15.311 1.00 33.05 H new ATOM 0 HG SER A 31 -13.615 29.877 14.875 1.00 13.01 H new ATOM 420 N LEU A 32 -12.895 24.794 15.687 1.00 23.55 N ATOM 421 CA LEU A 32 -11.991 23.673 15.456 1.00 31.42 C ATOM 422 C LEU A 32 -11.174 23.884 14.186 1.00 45.42 C ATOM 423 O LEU A 32 -11.292 24.916 13.524 1.00 43.22 O ATOM 424 CB LEU A 32 -12.780 22.366 15.357 1.00 63.42 C ATOM 425 CG LEU A 32 -12.475 21.315 16.425 1.00 75.13 C ATOM 426 CD1 LEU A 32 -13.337 21.540 17.657 1.00 60.44 C ATOM 427 CD2 LEU A 32 -12.689 19.914 15.870 1.00 60.10 C ATOM 0 H LEU A 32 -13.848 24.642 15.355 1.00 23.55 H new ATOM 0 HA LEU A 32 -11.305 23.613 16.301 1.00 31.42 H new ATOM 0 HB2 LEU A 32 -13.843 22.602 15.402 1.00 63.42 H new ATOM 0 HB3 LEU A 32 -12.592 21.925 14.378 1.00 63.42 H new ATOM 0 HG LEU A 32 -11.429 21.413 16.716 1.00 75.13 H new ATOM 0 HD11 LEU A 32 -13.106 20.783 18.406 1.00 60.44 H new ATOM 0 HD12 LEU A 32 -13.134 22.529 18.067 1.00 60.44 H new ATOM 0 HD13 LEU A 32 -14.390 21.470 17.382 1.00 60.44 H new ATOM 0 HD21 LEU A 32 -12.467 19.179 16.643 1.00 60.10 H new ATOM 0 HD22 LEU A 32 -13.725 19.804 15.550 1.00 60.10 H new ATOM 0 HD23 LEU A 32 -12.028 19.755 15.018 1.00 60.10 H new ATOM 439 N SER A 33 -10.347 22.899 13.848 1.00 64.45 N ATOM 440 CA SER A 33 -9.510 22.979 12.657 1.00 54.23 C ATOM 441 C SER A 33 -9.419 21.622 11.966 1.00 54.13 C ATOM 442 O SER A 33 -9.691 21.502 10.772 1.00 3.12 O ATOM 443 CB SER A 33 -8.108 23.471 13.025 1.00 63.22 C ATOM 444 OG SER A 33 -7.446 22.542 13.866 1.00 55.31 O ATOM 0 H SER A 33 -10.239 22.037 14.382 1.00 64.45 H new ATOM 0 HA SER A 33 -9.968 23.689 11.968 1.00 54.23 H new ATOM 0 HB2 SER A 33 -7.524 23.626 12.118 1.00 63.22 H new ATOM 0 HB3 SER A 33 -8.178 24.436 13.528 1.00 63.22 H new ATOM 0 HG SER A 33 -6.552 22.879 14.085 1.00 55.31 H new ATOM 450 N SER A 34 -9.034 20.602 12.726 1.00 72.22 N ATOM 451 CA SER A 34 -8.903 19.253 12.188 1.00 0.42 C ATOM 452 C SER A 34 -9.382 18.216 13.198 1.00 23.15 C ATOM 453 O SER A 34 -9.336 18.442 14.407 1.00 52.14 O ATOM 454 CB SER A 34 -7.449 18.973 11.803 1.00 63.42 C ATOM 455 OG SER A 34 -6.606 20.051 12.176 1.00 63.51 O ATOM 0 H SER A 34 -8.807 20.684 13.717 1.00 72.22 H new ATOM 0 HA SER A 34 -9.527 19.182 11.297 1.00 0.42 H new ATOM 0 HB2 SER A 34 -7.111 18.058 12.289 1.00 63.42 H new ATOM 0 HB3 SER A 34 -7.379 18.808 10.728 1.00 63.42 H new ATOM 0 HG SER A 34 -5.682 19.847 11.921 1.00 63.51 H new ATOM 461 N TRP A 35 -9.844 17.077 12.693 1.00 23.01 N ATOM 462 CA TRP A 35 -10.333 16.003 13.551 1.00 44.22 C ATOM 463 C TRP A 35 -9.454 14.764 13.427 1.00 53.11 C ATOM 464 O TRP A 35 -9.209 14.271 12.325 1.00 62.41 O ATOM 465 CB TRP A 35 -11.779 15.655 13.193 1.00 40.41 C ATOM 466 CG TRP A 35 -11.971 15.330 11.743 1.00 14.14 C ATOM 467 CD1 TRP A 35 -12.077 16.218 10.711 1.00 43.12 C ATOM 468 CD2 TRP A 35 -12.080 14.024 11.165 1.00 50.31 C ATOM 469 NE1 TRP A 35 -12.246 15.543 9.525 1.00 61.45 N ATOM 470 CE2 TRP A 35 -12.250 14.197 9.777 1.00 22.22 C ATOM 471 CE3 TRP A 35 -12.048 12.728 11.684 1.00 0.14 C ATOM 472 CZ2 TRP A 35 -12.389 13.120 8.905 1.00 31.30 C ATOM 473 CZ3 TRP A 35 -12.187 11.660 10.818 1.00 42.42 C ATOM 474 CH2 TRP A 35 -12.355 11.861 9.441 1.00 51.34 C ATOM 0 H TRP A 35 -9.890 16.874 11.695 1.00 23.01 H new ATOM 0 HA TRP A 35 -10.295 16.351 14.583 1.00 44.22 H new ATOM 0 HB2 TRP A 35 -12.100 14.804 13.794 1.00 40.41 H new ATOM 0 HB3 TRP A 35 -12.423 16.493 13.458 1.00 40.41 H new ATOM 0 HD1 TRP A 35 -12.034 17.292 10.812 1.00 43.12 H new ATOM 0 HE1 TRP A 35 -12.351 15.975 8.607 1.00 61.45 H new ATOM 0 HE3 TRP A 35 -11.917 12.563 12.743 1.00 0.14 H new ATOM 0 HZ2 TRP A 35 -12.519 13.273 7.844 1.00 31.30 H new ATOM 0 HZ3 TRP A 35 -12.166 10.653 11.209 1.00 42.42 H new ATOM 0 HH2 TRP A 35 -12.460 11.006 8.790 1.00 51.34 H new ATOM 485 N THR A 36 -8.979 14.265 14.564 1.00 12.04 N ATOM 486 CA THR A 36 -8.125 13.083 14.582 1.00 2.22 C ATOM 487 C THR A 36 -8.542 12.120 15.687 1.00 62.24 C ATOM 488 O THR A 36 -8.500 12.461 16.869 1.00 33.21 O ATOM 489 CB THR A 36 -6.645 13.463 14.778 1.00 4.22 C ATOM 490 OG1 THR A 36 -6.306 14.567 13.932 1.00 13.14 O ATOM 491 CG2 THR A 36 -5.738 12.282 14.467 1.00 34.13 C ATOM 0 H THR A 36 -9.171 14.661 15.484 1.00 12.04 H new ATOM 0 HA THR A 36 -8.242 12.594 13.615 1.00 2.22 H new ATOM 0 HB THR A 36 -6.501 13.748 15.820 1.00 4.22 H new ATOM 0 HG1 THR A 36 -5.364 14.803 14.064 1.00 13.14 H new ATOM 0 HG21 THR A 36 -4.698 12.574 14.612 1.00 34.13 H new ATOM 0 HG22 THR A 36 -5.979 11.453 15.133 1.00 34.13 H new ATOM 0 HG23 THR A 36 -5.887 11.972 13.433 1.00 34.13 H new ATOM 499 N VAL A 37 -8.944 10.915 15.295 1.00 44.42 N ATOM 500 CA VAL A 37 -9.367 9.901 16.253 1.00 64.54 C ATOM 501 C VAL A 37 -8.420 8.707 16.245 1.00 42.13 C ATOM 502 O VAL A 37 -8.170 8.109 15.199 1.00 41.40 O ATOM 503 CB VAL A 37 -10.797 9.410 15.957 1.00 50.25 C ATOM 504 CG1 VAL A 37 -10.902 8.905 14.526 1.00 65.32 C ATOM 505 CG2 VAL A 37 -11.204 8.327 16.945 1.00 2.43 C ATOM 0 H VAL A 37 -8.986 10.617 14.320 1.00 44.42 H new ATOM 0 HA VAL A 37 -9.348 10.369 17.237 1.00 64.54 H new ATOM 0 HB VAL A 37 -11.482 10.250 16.072 1.00 50.25 H new ATOM 0 HG11 VAL A 37 -11.919 8.562 14.335 1.00 65.32 H new ATOM 0 HG12 VAL A 37 -10.655 9.712 13.836 1.00 65.32 H new ATOM 0 HG13 VAL A 37 -10.207 8.078 14.380 1.00 65.32 H new ATOM 0 HG21 VAL A 37 -12.217 7.992 16.721 1.00 2.43 H new ATOM 0 HG22 VAL A 37 -10.517 7.485 16.865 1.00 2.43 H new ATOM 0 HG23 VAL A 37 -11.170 8.727 17.958 1.00 2.43 H new ATOM 515 N GLU A 38 -7.897 8.365 17.418 1.00 51.43 N ATOM 516 CA GLU A 38 -6.975 7.242 17.545 1.00 2.11 C ATOM 517 C GLU A 38 -7.345 6.369 18.740 1.00 35.43 C ATOM 518 O GLU A 38 -7.949 6.840 19.704 1.00 11.14 O ATOM 519 CB GLU A 38 -5.538 7.747 17.693 1.00 30.14 C ATOM 520 CG GLU A 38 -5.385 8.858 18.717 1.00 35.53 C ATOM 521 CD GLU A 38 -5.477 10.239 18.098 1.00 51.23 C ATOM 522 OE1 GLU A 38 -4.434 10.757 17.645 1.00 30.22 O ATOM 523 OE2 GLU A 38 -6.591 10.802 18.067 1.00 14.33 O ATOM 0 H GLU A 38 -8.096 8.849 18.294 1.00 51.43 H new ATOM 0 HA GLU A 38 -7.048 6.640 16.640 1.00 2.11 H new ATOM 0 HB2 GLU A 38 -4.896 6.913 17.976 1.00 30.14 H new ATOM 0 HB3 GLU A 38 -5.187 8.105 16.725 1.00 30.14 H new ATOM 0 HG2 GLU A 38 -6.157 8.753 19.479 1.00 35.53 H new ATOM 0 HG3 GLU A 38 -4.424 8.753 19.221 1.00 35.53 H new ATOM 530 N TRP A 39 -6.977 5.094 18.668 1.00 22.43 N ATOM 531 CA TRP A 39 -7.271 4.153 19.744 1.00 32.10 C ATOM 532 C TRP A 39 -6.242 3.029 19.779 1.00 15.42 C ATOM 533 O TRP A 39 -5.433 2.885 18.861 1.00 64.21 O ATOM 534 CB TRP A 39 -8.675 3.571 19.571 1.00 34.45 C ATOM 535 CG TRP A 39 -9.369 4.053 18.334 1.00 24.42 C ATOM 536 CD1 TRP A 39 -10.426 4.917 18.272 1.00 53.05 C ATOM 537 CD2 TRP A 39 -9.060 3.697 16.983 1.00 2.52 C ATOM 538 NE1 TRP A 39 -10.790 5.120 16.963 1.00 1.24 N ATOM 539 CE2 TRP A 39 -9.967 4.383 16.152 1.00 45.12 C ATOM 540 CE3 TRP A 39 -8.103 2.867 16.393 1.00 42.42 C ATOM 541 CZ2 TRP A 39 -9.944 4.263 14.766 1.00 5.35 C ATOM 542 CZ3 TRP A 39 -8.082 2.748 15.016 1.00 42.32 C ATOM 543 CH2 TRP A 39 -8.997 3.443 14.215 1.00 51.24 C ATOM 0 H TRP A 39 -6.476 4.689 17.878 1.00 22.43 H new ATOM 0 HA TRP A 39 -7.224 4.693 20.689 1.00 32.10 H new ATOM 0 HB2 TRP A 39 -8.609 2.483 19.541 1.00 34.45 H new ATOM 0 HB3 TRP A 39 -9.278 3.830 20.441 1.00 34.45 H new ATOM 0 HD1 TRP A 39 -10.905 5.373 19.126 1.00 53.05 H new ATOM 0 HE1 TRP A 39 -11.550 5.722 16.646 1.00 1.24 H new ATOM 0 HE3 TRP A 39 -7.392 2.328 17.002 1.00 42.42 H new ATOM 0 HZ2 TRP A 39 -10.649 4.798 14.147 1.00 5.35 H new ATOM 0 HZ3 TRP A 39 -7.347 2.108 14.550 1.00 42.32 H new ATOM 0 HH2 TRP A 39 -8.954 3.330 13.142 1.00 51.24 H new ATOM 554 N ASP A 40 -6.276 2.234 20.843 1.00 54.23 N ATOM 555 CA ASP A 40 -5.346 1.122 20.997 1.00 33.15 C ATOM 556 C ASP A 40 -5.991 -0.189 20.560 1.00 34.12 C ATOM 557 O ASP A 40 -7.118 -0.499 20.948 1.00 14.04 O ATOM 558 CB ASP A 40 -4.879 1.016 22.450 1.00 2.43 C ATOM 559 CG ASP A 40 -3.411 0.653 22.562 1.00 41.10 C ATOM 560 OD1 ASP A 40 -2.561 1.529 22.295 1.00 21.40 O ATOM 561 OD2 ASP A 40 -3.113 -0.506 22.917 1.00 54.11 O ATOM 0 H ASP A 40 -6.938 2.339 21.612 1.00 54.23 H new ATOM 0 HA ASP A 40 -4.482 1.312 20.360 1.00 33.15 H new ATOM 0 HB2 ASP A 40 -5.055 1.966 22.955 1.00 2.43 H new ATOM 0 HB3 ASP A 40 -5.476 0.265 22.967 1.00 2.43 H new ATOM 566 N PHE A 41 -5.268 -0.957 19.750 1.00 3.24 N ATOM 567 CA PHE A 41 -5.771 -2.235 19.258 1.00 50.55 C ATOM 568 C PHE A 41 -4.981 -3.396 19.855 1.00 43.42 C ATOM 569 O PHE A 41 -4.094 -3.967 19.220 1.00 62.54 O ATOM 570 CB PHE A 41 -5.695 -2.282 17.731 1.00 34.54 C ATOM 571 CG PHE A 41 -6.991 -1.936 17.055 1.00 14.25 C ATOM 572 CD1 PHE A 41 -8.154 -2.622 17.364 1.00 14.20 C ATOM 573 CD2 PHE A 41 -7.045 -0.924 16.109 1.00 31.05 C ATOM 574 CE1 PHE A 41 -9.348 -2.305 16.743 1.00 71.22 C ATOM 575 CE2 PHE A 41 -8.236 -0.603 15.486 1.00 14.41 C ATOM 576 CZ PHE A 41 -9.389 -1.296 15.803 1.00 42.50 C ATOM 0 H PHE A 41 -4.333 -0.717 19.421 1.00 3.24 H new ATOM 0 HA PHE A 41 -6.812 -2.331 19.566 1.00 50.55 H new ATOM 0 HB2 PHE A 41 -4.922 -1.592 17.392 1.00 34.54 H new ATOM 0 HB3 PHE A 41 -5.388 -3.281 17.421 1.00 34.54 H new ATOM 0 HD1 PHE A 41 -8.128 -3.413 18.098 1.00 14.20 H new ATOM 0 HD2 PHE A 41 -6.147 -0.381 15.856 1.00 31.05 H new ATOM 0 HE1 PHE A 41 -10.248 -2.847 16.994 1.00 71.22 H new ATOM 0 HE2 PHE A 41 -8.266 0.189 14.752 1.00 14.41 H new ATOM 0 HZ PHE A 41 -10.320 -1.048 15.316 1.00 42.50 H new ATOM 586 N PRO A 42 -5.310 -3.754 21.105 1.00 63.03 N ATOM 587 CA PRO A 42 -4.645 -4.849 21.816 1.00 12.44 C ATOM 588 C PRO A 42 -4.988 -6.214 21.230 1.00 11.21 C ATOM 589 O PRO A 42 -4.104 -7.028 20.962 1.00 72.25 O ATOM 590 CB PRO A 42 -5.186 -4.728 23.242 1.00 63.34 C ATOM 591 CG PRO A 42 -6.505 -4.051 23.090 1.00 42.03 C ATOM 592 CD PRO A 42 -6.359 -3.117 21.921 1.00 15.31 C ATOM 0 HA PRO A 42 -3.559 -4.777 21.750 1.00 12.44 H new ATOM 0 HB2 PRO A 42 -5.295 -5.707 23.709 1.00 63.34 H new ATOM 0 HB3 PRO A 42 -4.513 -4.147 23.873 1.00 63.34 H new ATOM 0 HG2 PRO A 42 -7.298 -4.777 22.912 1.00 42.03 H new ATOM 0 HG3 PRO A 42 -6.770 -3.505 23.995 1.00 42.03 H new ATOM 0 HD2 PRO A 42 -7.293 -3.016 21.368 1.00 15.31 H new ATOM 0 HD3 PRO A 42 -6.068 -2.116 22.240 1.00 15.31 H new ATOM 600 N THR A 43 -6.280 -6.460 21.031 1.00 54.42 N ATOM 601 CA THR A 43 -6.741 -7.727 20.477 1.00 10.41 C ATOM 602 C THR A 43 -6.434 -7.819 18.987 1.00 10.31 C ATOM 603 O THR A 43 -6.487 -6.821 18.269 1.00 21.51 O ATOM 604 CB THR A 43 -8.254 -7.916 20.691 1.00 32.14 C ATOM 605 OG1 THR A 43 -8.978 -6.884 20.012 1.00 5.52 O ATOM 606 CG2 THR A 43 -8.598 -7.893 22.172 1.00 73.41 C ATOM 0 H THR A 43 -7.025 -5.798 21.246 1.00 54.42 H new ATOM 0 HA THR A 43 -6.206 -8.517 21.005 1.00 10.41 H new ATOM 0 HB THR A 43 -8.537 -8.886 20.283 1.00 32.14 H new ATOM 0 HG1 THR A 43 -9.939 -7.013 20.152 1.00 5.52 H new ATOM 0 HG21 THR A 43 -9.672 -8.028 22.298 1.00 73.41 H new ATOM 0 HG22 THR A 43 -8.069 -8.698 22.681 1.00 73.41 H new ATOM 0 HG23 THR A 43 -8.300 -6.936 22.600 1.00 73.41 H new ATOM 614 N GLY A 44 -6.113 -9.024 18.527 1.00 4.25 N ATOM 615 CA GLY A 44 -5.803 -9.224 17.123 1.00 63.11 C ATOM 616 C GLY A 44 -6.735 -8.454 16.208 1.00 24.40 C ATOM 617 O GLY A 44 -7.832 -8.919 15.892 1.00 40.22 O ATOM 0 H GLY A 44 -6.062 -9.865 19.101 1.00 4.25 H new ATOM 0 HA2 GLY A 44 -4.775 -8.915 16.933 1.00 63.11 H new ATOM 0 HA3 GLY A 44 -5.864 -10.287 16.888 1.00 63.11 H new ATOM 621 N THR A 45 -6.301 -7.273 15.781 1.00 23.11 N ATOM 622 CA THR A 45 -7.105 -6.435 14.900 1.00 10.24 C ATOM 623 C THR A 45 -6.231 -5.462 14.118 1.00 4.15 C ATOM 624 O THR A 45 -5.182 -5.032 14.596 1.00 54.42 O ATOM 625 CB THR A 45 -8.160 -5.639 15.691 1.00 42.31 C ATOM 626 OG1 THR A 45 -8.975 -6.531 16.457 1.00 32.11 O ATOM 627 CG2 THR A 45 -9.037 -4.823 14.752 1.00 51.31 C ATOM 0 H THR A 45 -5.396 -6.875 16.031 1.00 23.11 H new ATOM 0 HA THR A 45 -7.612 -7.103 14.204 1.00 10.24 H new ATOM 0 HB THR A 45 -7.639 -4.957 16.363 1.00 42.31 H new ATOM 0 HG1 THR A 45 -9.642 -6.016 16.958 1.00 32.11 H new ATOM 0 HG21 THR A 45 -9.775 -4.269 15.333 1.00 51.31 H new ATOM 0 HG22 THR A 45 -8.417 -4.124 14.191 1.00 51.31 H new ATOM 0 HG23 THR A 45 -9.548 -5.491 14.059 1.00 51.31 H new ATOM 635 N LYS A 46 -6.670 -5.118 12.912 1.00 2.01 N ATOM 636 CA LYS A 46 -5.929 -4.194 12.062 1.00 53.24 C ATOM 637 C LYS A 46 -6.781 -3.736 10.882 1.00 74.31 C ATOM 638 O LYS A 46 -7.393 -4.551 10.193 1.00 42.43 O ATOM 639 CB LYS A 46 -4.646 -4.855 11.551 1.00 63.14 C ATOM 640 CG LYS A 46 -4.856 -6.263 11.023 1.00 44.33 C ATOM 641 CD LYS A 46 -4.229 -7.302 11.938 1.00 63.15 C ATOM 642 CE LYS A 46 -2.805 -7.628 11.517 1.00 70.31 C ATOM 643 NZ LYS A 46 -2.440 -9.035 11.840 1.00 3.54 N ATOM 0 H LYS A 46 -7.536 -5.466 12.501 1.00 2.01 H new ATOM 0 HA LYS A 46 -5.668 -3.321 12.660 1.00 53.24 H new ATOM 0 HB2 LYS A 46 -4.220 -4.239 10.759 1.00 63.14 H new ATOM 0 HB3 LYS A 46 -3.916 -4.884 12.359 1.00 63.14 H new ATOM 0 HG2 LYS A 46 -5.924 -6.460 10.925 1.00 44.33 H new ATOM 0 HG3 LYS A 46 -4.424 -6.347 10.026 1.00 44.33 H new ATOM 0 HD2 LYS A 46 -4.231 -6.934 12.964 1.00 63.15 H new ATOM 0 HD3 LYS A 46 -4.831 -8.211 11.925 1.00 63.15 H new ATOM 0 HE2 LYS A 46 -2.696 -7.461 10.445 1.00 70.31 H new ATOM 0 HE3 LYS A 46 -2.114 -6.949 12.017 1.00 70.31 H new ATOM 0 HZ1 LYS A 46 -1.462 -9.218 11.538 1.00 3.54 H new ATOM 0 HZ2 LYS A 46 -2.520 -9.188 12.866 1.00 3.54 H new ATOM 0 HZ3 LYS A 46 -3.083 -9.683 11.343 1.00 3.54 H new ATOM 657 N VAL A 47 -6.815 -2.426 10.657 1.00 1.32 N ATOM 658 CA VAL A 47 -7.590 -1.861 9.559 1.00 64.14 C ATOM 659 C VAL A 47 -6.904 -2.104 8.219 1.00 43.42 C ATOM 660 O VAL A 47 -5.968 -1.394 7.849 1.00 44.11 O ATOM 661 CB VAL A 47 -7.804 -0.347 9.745 1.00 64.13 C ATOM 662 CG1 VAL A 47 -8.612 0.225 8.590 1.00 20.22 C ATOM 663 CG2 VAL A 47 -8.489 -0.067 11.075 1.00 52.25 C ATOM 0 H VAL A 47 -6.316 -1.737 11.220 1.00 1.32 H new ATOM 0 HA VAL A 47 -8.558 -2.362 9.565 1.00 64.14 H new ATOM 0 HB VAL A 47 -6.830 0.142 9.752 1.00 64.13 H new ATOM 0 HG11 VAL A 47 -8.753 1.296 8.739 1.00 20.22 H new ATOM 0 HG12 VAL A 47 -8.079 0.056 7.654 1.00 20.22 H new ATOM 0 HG13 VAL A 47 -9.584 -0.266 8.548 1.00 20.22 H new ATOM 0 HG21 VAL A 47 -8.633 1.007 11.191 1.00 52.25 H new ATOM 0 HG22 VAL A 47 -9.457 -0.567 11.098 1.00 52.25 H new ATOM 0 HG23 VAL A 47 -7.868 -0.440 11.890 1.00 52.25 H new ATOM 673 N THR A 48 -7.377 -3.112 7.493 1.00 14.23 N ATOM 674 CA THR A 48 -6.810 -3.451 6.194 1.00 55.31 C ATOM 675 C THR A 48 -6.992 -2.309 5.200 1.00 34.31 C ATOM 676 O THR A 48 -6.059 -1.939 4.488 1.00 62.12 O ATOM 677 CB THR A 48 -7.450 -4.727 5.616 1.00 32.32 C ATOM 678 OG1 THR A 48 -7.221 -5.832 6.497 1.00 30.42 O ATOM 679 CG2 THR A 48 -6.882 -5.042 4.240 1.00 73.33 C ATOM 0 H THR A 48 -8.152 -3.708 7.783 1.00 14.23 H new ATOM 0 HA THR A 48 -5.746 -3.627 6.350 1.00 55.31 H new ATOM 0 HB THR A 48 -8.522 -4.557 5.518 1.00 32.32 H new ATOM 0 HG1 THR A 48 -7.632 -6.639 6.123 1.00 30.42 H new ATOM 0 HG21 THR A 48 -7.349 -5.947 3.852 1.00 73.33 H new ATOM 0 HG22 THR A 48 -7.084 -4.211 3.564 1.00 73.33 H new ATOM 0 HG23 THR A 48 -5.805 -5.194 4.317 1.00 73.33 H new ATOM 687 N SER A 49 -8.199 -1.755 5.158 1.00 32.21 N ATOM 688 CA SER A 49 -8.505 -0.657 4.249 1.00 22.05 C ATOM 689 C SER A 49 -9.418 0.366 4.919 1.00 20.24 C ATOM 690 O SER A 49 -10.319 0.006 5.676 1.00 50.25 O ATOM 691 CB SER A 49 -9.165 -1.190 2.975 1.00 60.25 C ATOM 692 OG SER A 49 -8.199 -1.716 2.082 1.00 44.12 O ATOM 0 H SER A 49 -8.981 -2.049 5.743 1.00 32.21 H new ATOM 0 HA SER A 49 -7.569 -0.165 3.986 1.00 22.05 H new ATOM 0 HB2 SER A 49 -9.887 -1.965 3.233 1.00 60.25 H new ATOM 0 HB3 SER A 49 -9.719 -0.389 2.486 1.00 60.25 H new ATOM 0 HG SER A 49 -7.368 -1.897 2.569 1.00 44.12 H new ATOM 698 N ALA A 50 -9.178 1.641 4.633 1.00 72.24 N ATOM 699 CA ALA A 50 -9.978 2.716 5.206 1.00 2.11 C ATOM 700 C ALA A 50 -10.391 3.722 4.137 1.00 3.54 C ATOM 701 O ALA A 50 -9.658 3.955 3.175 1.00 62.04 O ATOM 702 CB ALA A 50 -9.210 3.411 6.320 1.00 54.20 C ATOM 0 H ALA A 50 -8.436 1.955 4.008 1.00 72.24 H new ATOM 0 HA ALA A 50 -10.884 2.278 5.625 1.00 2.11 H new ATOM 0 HB1 ALA A 50 -9.820 4.211 6.738 1.00 54.20 H new ATOM 0 HB2 ALA A 50 -8.971 2.690 7.102 1.00 54.20 H new ATOM 0 HB3 ALA A 50 -8.287 3.830 5.919 1.00 54.20 H new ATOM 708 N TRP A 51 -11.567 4.314 4.311 1.00 10.34 N ATOM 709 CA TRP A 51 -12.076 5.296 3.360 1.00 24.11 C ATOM 710 C TRP A 51 -12.572 6.545 4.080 1.00 51.00 C ATOM 711 O TRP A 51 -13.131 6.462 5.173 1.00 64.51 O ATOM 712 CB TRP A 51 -13.207 4.690 2.527 1.00 23.24 C ATOM 713 CG TRP A 51 -14.247 3.995 3.354 1.00 0.23 C ATOM 714 CD1 TRP A 51 -15.238 4.583 4.086 1.00 72.22 C ATOM 715 CD2 TRP A 51 -14.397 2.583 3.532 1.00 22.43 C ATOM 716 NE1 TRP A 51 -15.995 3.621 4.710 1.00 23.23 N ATOM 717 CE2 TRP A 51 -15.501 2.385 4.385 1.00 53.22 C ATOM 718 CE3 TRP A 51 -13.709 1.465 3.052 1.00 11.13 C ATOM 719 CZ2 TRP A 51 -15.927 1.117 4.769 1.00 1.24 C ATOM 720 CZ3 TRP A 51 -14.133 0.207 3.433 1.00 60.11 C ATOM 721 CH2 TRP A 51 -15.235 0.040 4.283 1.00 71.45 C ATOM 0 H TRP A 51 -12.186 4.132 5.101 1.00 10.34 H new ATOM 0 HA TRP A 51 -11.259 5.582 2.698 1.00 24.11 H new ATOM 0 HB2 TRP A 51 -13.683 5.479 1.945 1.00 23.24 H new ATOM 0 HB3 TRP A 51 -12.785 3.980 1.816 1.00 23.24 H new ATOM 0 HD1 TRP A 51 -15.403 5.648 4.163 1.00 72.22 H new ATOM 0 HE1 TRP A 51 -16.795 3.798 5.317 1.00 23.23 H new ATOM 0 HE3 TRP A 51 -12.860 1.583 2.394 1.00 11.13 H new ATOM 0 HZ2 TRP A 51 -16.773 0.987 5.427 1.00 1.24 H new ATOM 0 HZ3 TRP A 51 -13.606 -0.663 3.070 1.00 60.11 H new ATOM 0 HH2 TRP A 51 -15.544 -0.957 4.560 1.00 71.45 H new ATOM 732 N ASP A 52 -12.364 7.701 3.460 1.00 53.20 N ATOM 733 CA ASP A 52 -12.790 8.968 4.042 1.00 43.51 C ATOM 734 C ASP A 52 -12.030 9.258 5.332 1.00 53.31 C ATOM 735 O ASP A 52 -12.413 10.134 6.107 1.00 51.21 O ATOM 736 CB ASP A 52 -14.295 8.947 4.316 1.00 12.22 C ATOM 737 CG ASP A 52 -14.984 10.218 3.862 1.00 2.31 C ATOM 738 OD1 ASP A 52 -14.306 11.263 3.774 1.00 73.53 O ATOM 739 OD2 ASP A 52 -16.203 10.169 3.594 1.00 5.52 O ATOM 0 H ASP A 52 -11.903 7.787 2.554 1.00 53.20 H new ATOM 0 HA ASP A 52 -12.569 9.760 3.326 1.00 43.51 H new ATOM 0 HB2 ASP A 52 -14.742 8.093 3.807 1.00 12.22 H new ATOM 0 HB3 ASP A 52 -14.465 8.806 5.383 1.00 12.22 H new ATOM 744 N ALA A 53 -10.951 8.515 5.555 1.00 73.45 N ATOM 745 CA ALA A 53 -10.136 8.692 6.752 1.00 43.10 C ATOM 746 C ALA A 53 -8.871 7.844 6.684 1.00 13.23 C ATOM 747 O ALA A 53 -8.920 6.623 6.834 1.00 41.31 O ATOM 748 CB ALA A 53 -10.941 8.345 7.995 1.00 23.14 C ATOM 0 H ALA A 53 -10.621 7.785 4.923 1.00 73.45 H new ATOM 0 HA ALA A 53 -9.838 9.739 6.807 1.00 43.10 H new ATOM 0 HB1 ALA A 53 -10.320 8.482 8.880 1.00 23.14 H new ATOM 0 HB2 ALA A 53 -11.812 8.997 8.058 1.00 23.14 H new ATOM 0 HB3 ALA A 53 -11.269 7.307 7.938 1.00 23.14 H new ATOM 754 N THR A 54 -7.736 8.499 6.457 1.00 62.31 N ATOM 755 CA THR A 54 -6.458 7.806 6.368 1.00 73.00 C ATOM 756 C THR A 54 -6.085 7.167 7.701 1.00 34.10 C ATOM 757 O THR A 54 -5.449 7.796 8.547 1.00 53.03 O ATOM 758 CB THR A 54 -5.329 8.761 5.936 1.00 30.41 C ATOM 759 OG1 THR A 54 -5.623 9.317 4.651 1.00 5.03 O ATOM 760 CG2 THR A 54 -3.994 8.033 5.886 1.00 61.01 C ATOM 0 H THR A 54 -7.677 9.510 6.331 1.00 62.31 H new ATOM 0 HA THR A 54 -6.573 7.027 5.614 1.00 73.00 H new ATOM 0 HB THR A 54 -5.260 9.563 6.671 1.00 30.41 H new ATOM 0 HG1 THR A 54 -4.901 9.924 4.384 1.00 5.03 H new ATOM 0 HG21 THR A 54 -3.212 8.727 5.579 1.00 61.01 H new ATOM 0 HG22 THR A 54 -3.759 7.636 6.873 1.00 61.01 H new ATOM 0 HG23 THR A 54 -4.053 7.213 5.170 1.00 61.01 H new ATOM 768 N VAL A 55 -6.483 5.911 7.882 1.00 64.40 N ATOM 769 CA VAL A 55 -6.189 5.186 9.112 1.00 71.40 C ATOM 770 C VAL A 55 -4.848 4.466 9.018 1.00 43.05 C ATOM 771 O VAL A 55 -4.687 3.529 8.235 1.00 61.44 O ATOM 772 CB VAL A 55 -7.290 4.157 9.434 1.00 0.10 C ATOM 773 CG1 VAL A 55 -6.955 3.399 10.709 1.00 63.34 C ATOM 774 CG2 VAL A 55 -8.642 4.844 9.551 1.00 24.32 C ATOM 0 H VAL A 55 -7.010 5.375 7.192 1.00 64.40 H new ATOM 0 HA VAL A 55 -6.147 5.925 9.913 1.00 71.40 H new ATOM 0 HB VAL A 55 -7.343 3.438 8.616 1.00 0.10 H new ATOM 0 HG11 VAL A 55 -7.743 2.677 10.921 1.00 63.34 H new ATOM 0 HG12 VAL A 55 -6.008 2.875 10.583 1.00 63.34 H new ATOM 0 HG13 VAL A 55 -6.874 4.101 11.539 1.00 63.34 H new ATOM 0 HG21 VAL A 55 -9.408 4.103 9.779 1.00 24.32 H new ATOM 0 HG22 VAL A 55 -8.606 5.585 10.349 1.00 24.32 H new ATOM 0 HG23 VAL A 55 -8.882 5.337 8.609 1.00 24.32 H new ATOM 784 N THR A 56 -3.887 4.911 9.822 1.00 72.30 N ATOM 785 CA THR A 56 -2.560 4.309 9.830 1.00 41.14 C ATOM 786 C THR A 56 -2.338 3.482 11.091 1.00 23.24 C ATOM 787 O THR A 56 -3.212 3.399 11.953 1.00 3.31 O ATOM 788 CB THR A 56 -1.457 5.382 9.734 1.00 22.05 C ATOM 789 OG1 THR A 56 -0.194 4.763 9.467 1.00 33.12 O ATOM 790 CG2 THR A 56 -1.371 6.187 11.022 1.00 4.33 C ATOM 0 H THR A 56 -4.003 5.686 10.475 1.00 72.30 H new ATOM 0 HA THR A 56 -2.503 3.658 8.957 1.00 41.14 H new ATOM 0 HB THR A 56 -1.709 6.059 8.918 1.00 22.05 H new ATOM 0 HG1 THR A 56 0.501 5.451 9.406 1.00 33.12 H new ATOM 0 HG21 THR A 56 -0.586 6.938 10.930 1.00 4.33 H new ATOM 0 HG22 THR A 56 -2.325 6.681 11.207 1.00 4.33 H new ATOM 0 HG23 THR A 56 -1.140 5.520 11.853 1.00 4.33 H new ATOM 798 N ASN A 57 -1.162 2.870 11.193 1.00 72.13 N ATOM 799 CA ASN A 57 -0.825 2.049 12.350 1.00 25.25 C ATOM 800 C ASN A 57 0.611 2.299 12.795 1.00 35.32 C ATOM 801 O ASN A 57 1.433 2.798 12.027 1.00 44.32 O ATOM 802 CB ASN A 57 -1.020 0.566 12.022 1.00 51.21 C ATOM 803 CG ASN A 57 0.190 -0.037 11.334 1.00 54.45 C ATOM 804 OD1 ASN A 57 1.201 -0.327 11.974 1.00 74.43 O ATOM 805 ND2 ASN A 57 0.093 -0.227 10.024 1.00 24.53 N ATOM 0 H ASN A 57 -0.427 2.927 10.488 1.00 72.13 H new ATOM 0 HA ASN A 57 -1.492 2.325 13.167 1.00 25.25 H new ATOM 0 HB2 ASN A 57 -1.223 0.017 12.941 1.00 51.21 H new ATOM 0 HB3 ASN A 57 -1.894 0.450 11.382 1.00 51.21 H new ATOM 0 HD21 ASN A 57 0.876 -0.628 9.508 1.00 24.53 H new ATOM 0 HD22 ASN A 57 -0.764 0.028 9.534 1.00 24.53 H new ATOM 812 N SER A 58 0.909 1.947 14.042 1.00 30.53 N ATOM 813 CA SER A 58 2.246 2.135 14.592 1.00 63.11 C ATOM 814 C SER A 58 2.479 1.213 15.785 1.00 11.13 C ATOM 815 O SER A 58 2.285 1.606 16.934 1.00 33.43 O ATOM 816 CB SER A 58 2.446 3.592 15.013 1.00 12.22 C ATOM 817 OG SER A 58 2.450 4.453 13.887 1.00 31.30 O ATOM 0 H SER A 58 0.242 1.530 14.691 1.00 30.53 H new ATOM 0 HA SER A 58 2.969 1.885 13.816 1.00 63.11 H new ATOM 0 HB2 SER A 58 1.652 3.888 15.698 1.00 12.22 H new ATOM 0 HB3 SER A 58 3.387 3.691 15.554 1.00 12.22 H new ATOM 0 HG SER A 58 2.426 3.918 13.066 1.00 31.30 H new ATOM 823 N GLY A 59 2.895 -0.017 15.500 1.00 34.43 N ATOM 824 CA GLY A 59 3.148 -0.979 16.558 1.00 63.54 C ATOM 825 C GLY A 59 1.870 -1.572 17.119 1.00 73.20 C ATOM 826 O GLY A 59 1.378 -2.586 16.623 1.00 52.22 O ATOM 0 H GLY A 59 3.061 -0.365 14.556 1.00 34.43 H new ATOM 0 HA2 GLY A 59 3.779 -1.780 16.173 1.00 63.54 H new ATOM 0 HA3 GLY A 59 3.703 -0.494 17.361 1.00 63.54 H new ATOM 830 N ASP A 60 1.332 -0.941 18.157 1.00 61.11 N ATOM 831 CA ASP A 60 0.104 -1.412 18.787 1.00 14.14 C ATOM 832 C ASP A 60 -0.931 -0.295 18.866 1.00 55.55 C ATOM 833 O ASP A 60 -2.023 -0.482 19.401 1.00 31.34 O ATOM 834 CB ASP A 60 0.398 -1.953 20.187 1.00 13.51 C ATOM 835 CG ASP A 60 0.828 -0.862 21.149 1.00 12.03 C ATOM 836 OD1 ASP A 60 1.954 -0.344 20.993 1.00 24.21 O ATOM 837 OD2 ASP A 60 0.039 -0.529 22.058 1.00 52.13 O ATOM 0 H ASP A 60 1.727 -0.101 18.580 1.00 61.11 H new ATOM 0 HA ASP A 60 -0.303 -2.216 18.174 1.00 14.14 H new ATOM 0 HB2 ASP A 60 -0.492 -2.448 20.577 1.00 13.51 H new ATOM 0 HB3 ASP A 60 1.181 -2.708 20.125 1.00 13.51 H new ATOM 842 N HIS A 61 -0.578 0.870 18.331 1.00 53.03 N ATOM 843 CA HIS A 61 -1.476 2.020 18.342 1.00 15.32 C ATOM 844 C HIS A 61 -1.953 2.351 16.931 1.00 14.25 C ATOM 845 O HIS A 61 -1.220 2.165 15.959 1.00 42.22 O ATOM 846 CB HIS A 61 -0.777 3.234 18.955 1.00 54.32 C ATOM 847 CG HIS A 61 -1.543 4.510 18.793 1.00 44.34 C ATOM 848 ND1 HIS A 61 -2.283 5.078 19.809 1.00 73.12 N ATOM 849 CD2 HIS A 61 -1.681 5.332 17.726 1.00 55.50 C ATOM 850 CE1 HIS A 61 -2.843 6.192 19.374 1.00 24.24 C ATOM 851 NE2 HIS A 61 -2.492 6.369 18.112 1.00 64.52 N ATOM 0 H HIS A 61 0.323 1.043 17.885 1.00 53.03 H new ATOM 0 HA HIS A 61 -2.345 1.765 18.949 1.00 15.32 H new ATOM 0 HB2 HIS A 61 -0.613 3.051 20.017 1.00 54.32 H new ATOM 0 HB3 HIS A 61 0.205 3.348 18.496 1.00 54.32 H new ATOM 0 HD1 HIS A 61 -2.382 4.697 20.750 1.00 73.12 H new ATOM 0 HD2 HIS A 61 -1.235 5.196 16.752 1.00 55.50 H new ATOM 0 HE1 HIS A 61 -3.479 6.847 19.951 1.00 24.24 H new ATOM 859 N TRP A 62 -3.183 2.839 16.827 1.00 60.21 N ATOM 860 CA TRP A 62 -3.757 3.194 15.534 1.00 24.04 C ATOM 861 C TRP A 62 -4.359 4.595 15.572 1.00 21.13 C ATOM 862 O TRP A 62 -4.777 5.074 16.626 1.00 70.52 O ATOM 863 CB TRP A 62 -4.826 2.177 15.131 1.00 1.34 C ATOM 864 CG TRP A 62 -4.256 0.881 14.638 1.00 63.33 C ATOM 865 CD1 TRP A 62 -3.645 -0.083 15.388 1.00 54.13 C ATOM 866 CD2 TRP A 62 -4.246 0.409 13.287 1.00 52.10 C ATOM 867 NE1 TRP A 62 -3.254 -1.126 14.584 1.00 31.24 N ATOM 868 CE2 TRP A 62 -3.612 -0.849 13.290 1.00 75.43 C ATOM 869 CE3 TRP A 62 -4.711 0.925 12.074 1.00 54.13 C ATOM 870 CZ2 TRP A 62 -3.431 -1.595 12.129 1.00 52.12 C ATOM 871 CZ3 TRP A 62 -4.531 0.184 10.922 1.00 33.14 C ATOM 872 CH2 TRP A 62 -3.896 -1.065 10.956 1.00 2.13 C ATOM 0 H TRP A 62 -3.802 2.998 17.622 1.00 60.21 H new ATOM 0 HA TRP A 62 -2.957 3.182 14.794 1.00 24.04 H new ATOM 0 HB2 TRP A 62 -5.471 1.980 15.987 1.00 1.34 H new ATOM 0 HB3 TRP A 62 -5.454 2.610 14.352 1.00 1.34 H new ATOM 0 HD1 TRP A 62 -3.492 -0.033 16.456 1.00 54.13 H new ATOM 0 HE1 TRP A 62 -2.775 -1.970 14.899 1.00 31.24 H new ATOM 0 HE3 TRP A 62 -5.202 1.886 12.038 1.00 54.13 H new ATOM 0 HZ2 TRP A 62 -2.941 -2.557 12.153 1.00 52.12 H new ATOM 0 HZ3 TRP A 62 -4.886 0.574 9.979 1.00 33.14 H new ATOM 0 HH2 TRP A 62 -3.771 -1.620 10.038 1.00 2.13 H new ATOM 883 N THR A 63 -4.401 5.248 14.415 1.00 74.40 N ATOM 884 CA THR A 63 -4.951 6.594 14.317 1.00 55.50 C ATOM 885 C THR A 63 -5.582 6.832 12.950 1.00 25.32 C ATOM 886 O THR A 63 -5.139 6.275 11.946 1.00 2.23 O ATOM 887 CB THR A 63 -3.869 7.662 14.562 1.00 14.41 C ATOM 888 OG1 THR A 63 -4.383 8.961 14.250 1.00 42.12 O ATOM 889 CG2 THR A 63 -2.633 7.385 13.719 1.00 0.43 C ATOM 0 H THR A 63 -4.061 4.866 13.533 1.00 74.40 H new ATOM 0 HA THR A 63 -5.717 6.679 15.088 1.00 55.50 H new ATOM 0 HB THR A 63 -3.587 7.626 15.614 1.00 14.41 H new ATOM 0 HG1 THR A 63 -3.689 9.634 14.410 1.00 42.12 H new ATOM 0 HG21 THR A 63 -1.883 8.153 13.909 1.00 0.43 H new ATOM 0 HG22 THR A 63 -2.226 6.408 13.980 1.00 0.43 H new ATOM 0 HG23 THR A 63 -2.903 7.396 12.663 1.00 0.43 H new ATOM 897 N ALA A 64 -6.619 7.663 12.919 1.00 32.53 N ATOM 898 CA ALA A 64 -7.309 7.976 11.674 1.00 21.41 C ATOM 899 C ALA A 64 -7.407 9.483 11.465 1.00 11.31 C ATOM 900 O ALA A 64 -7.730 10.229 12.389 1.00 70.25 O ATOM 901 CB ALA A 64 -8.696 7.350 11.668 1.00 13.24 C ATOM 0 H ALA A 64 -6.999 8.131 13.742 1.00 32.53 H new ATOM 0 HA ALA A 64 -6.729 7.558 10.851 1.00 21.41 H new ATOM 0 HB1 ALA A 64 -9.200 7.592 10.732 1.00 13.24 H new ATOM 0 HB2 ALA A 64 -8.607 6.268 11.763 1.00 13.24 H new ATOM 0 HB3 ALA A 64 -9.275 7.741 12.504 1.00 13.24 H new ATOM 907 N LYS A 65 -7.125 9.926 10.244 1.00 52.30 N ATOM 908 CA LYS A 65 -7.181 11.345 9.912 1.00 22.12 C ATOM 909 C LYS A 65 -7.487 11.545 8.431 1.00 20.01 C ATOM 910 O LYS A 65 -6.910 10.879 7.573 1.00 34.24 O ATOM 911 CB LYS A 65 -5.858 12.026 10.267 1.00 74.32 C ATOM 912 CG LYS A 65 -4.642 11.350 9.655 1.00 30.33 C ATOM 913 CD LYS A 65 -4.118 10.234 10.543 1.00 50.31 C ATOM 914 CE LYS A 65 -2.884 10.670 11.316 1.00 42.13 C ATOM 915 NZ LYS A 65 -3.162 11.849 12.184 1.00 34.30 N ATOM 0 H LYS A 65 -6.855 9.322 9.468 1.00 52.30 H new ATOM 0 HA LYS A 65 -7.983 11.798 10.495 1.00 22.12 H new ATOM 0 HB2 LYS A 65 -5.892 13.063 9.934 1.00 74.32 H new ATOM 0 HB3 LYS A 65 -5.747 12.042 11.351 1.00 74.32 H new ATOM 0 HG2 LYS A 65 -4.903 10.946 8.677 1.00 30.33 H new ATOM 0 HG3 LYS A 65 -3.856 12.088 9.495 1.00 30.33 H new ATOM 0 HD2 LYS A 65 -4.897 9.927 11.241 1.00 50.31 H new ATOM 0 HD3 LYS A 65 -3.877 9.364 9.932 1.00 50.31 H new ATOM 0 HE2 LYS A 65 -2.529 9.842 11.930 1.00 42.13 H new ATOM 0 HE3 LYS A 65 -2.084 10.914 10.617 1.00 42.13 H new ATOM 0 HZ1 LYS A 65 -2.288 12.137 12.669 1.00 34.30 H new ATOM 0 HZ2 LYS A 65 -3.509 12.636 11.600 1.00 34.30 H new ATOM 0 HZ3 LYS A 65 -3.883 11.598 12.890 1.00 34.30 H new ATOM 929 N ASN A 66 -8.397 12.468 8.139 1.00 23.01 N ATOM 930 CA ASN A 66 -8.779 12.757 6.761 1.00 71.24 C ATOM 931 C ASN A 66 -8.309 14.148 6.346 1.00 74.11 C ATOM 932 O ASN A 66 -7.983 14.383 5.183 1.00 63.13 O ATOM 933 CB ASN A 66 -10.296 12.649 6.597 1.00 41.12 C ATOM 934 CG ASN A 66 -10.695 12.157 5.219 1.00 42.14 C ATOM 935 OD1 ASN A 66 -10.111 11.209 4.693 1.00 42.31 O ATOM 936 ND2 ASN A 66 -11.694 12.801 4.628 1.00 2.33 N ATOM 0 H ASN A 66 -8.884 13.029 8.838 1.00 23.01 H new ATOM 0 HA ASN A 66 -8.297 12.023 6.115 1.00 71.24 H new ATOM 0 HB2 ASN A 66 -10.693 11.970 7.351 1.00 41.12 H new ATOM 0 HB3 ASN A 66 -10.748 13.624 6.777 1.00 41.12 H new ATOM 0 HD21 ASN A 66 -12.007 12.515 3.700 1.00 2.33 H new ATOM 0 HD22 ASN A 66 -12.149 13.581 5.102 1.00 2.33 H new ATOM 943 N VAL A 67 -8.274 15.066 7.308 1.00 24.04 N ATOM 944 CA VAL A 67 -7.842 16.432 7.043 1.00 51.52 C ATOM 945 C VAL A 67 -6.352 16.602 7.322 1.00 65.34 C ATOM 946 O VAL A 67 -5.925 17.616 7.873 1.00 71.33 O ATOM 947 CB VAL A 67 -8.631 17.445 7.894 1.00 44.31 C ATOM 948 CG1 VAL A 67 -10.050 17.597 7.365 1.00 51.14 C ATOM 949 CG2 VAL A 67 -8.641 17.020 9.355 1.00 71.00 C ATOM 0 H VAL A 67 -8.540 14.888 8.277 1.00 24.04 H new ATOM 0 HA VAL A 67 -8.035 16.626 5.988 1.00 51.52 H new ATOM 0 HB VAL A 67 -8.137 18.414 7.824 1.00 44.31 H new ATOM 0 HG11 VAL A 67 -10.592 18.316 7.979 1.00 51.14 H new ATOM 0 HG12 VAL A 67 -10.018 17.950 6.334 1.00 51.14 H new ATOM 0 HG13 VAL A 67 -10.557 16.633 7.403 1.00 51.14 H new ATOM 0 HG21 VAL A 67 -9.203 17.747 9.942 1.00 71.00 H new ATOM 0 HG22 VAL A 67 -9.110 16.040 9.446 1.00 71.00 H new ATOM 0 HG23 VAL A 67 -7.617 16.968 9.726 1.00 71.00 H new ATOM 959 N GLY A 68 -5.567 15.601 6.938 1.00 72.23 N ATOM 960 CA GLY A 68 -4.133 15.659 7.155 1.00 72.31 C ATOM 961 C GLY A 68 -3.425 16.519 6.128 1.00 42.31 C ATOM 962 O GLY A 68 -2.200 16.643 6.150 1.00 0.54 O ATOM 0 H GLY A 68 -5.898 14.751 6.481 1.00 72.23 H new ATOM 0 HA2 GLY A 68 -3.935 16.053 8.152 1.00 72.31 H new ATOM 0 HA3 GLY A 68 -3.723 14.650 7.124 1.00 72.31 H new ATOM 966 N TRP A 69 -4.196 17.114 5.224 1.00 23.12 N ATOM 967 CA TRP A 69 -3.634 17.966 4.182 1.00 21.35 C ATOM 968 C TRP A 69 -4.149 19.395 4.312 1.00 50.43 C ATOM 969 O TRP A 69 -3.432 20.351 4.021 1.00 53.43 O ATOM 970 CB TRP A 69 -3.979 17.410 2.799 1.00 33.10 C ATOM 971 CG TRP A 69 -5.304 16.710 2.754 1.00 54.23 C ATOM 972 CD1 TRP A 69 -5.541 15.388 2.998 1.00 63.34 C ATOM 973 CD2 TRP A 69 -6.572 17.298 2.443 1.00 31.44 C ATOM 974 NE1 TRP A 69 -6.881 15.118 2.859 1.00 11.15 N ATOM 975 CE2 TRP A 69 -7.535 16.272 2.519 1.00 1.22 C ATOM 976 CE3 TRP A 69 -6.989 18.588 2.109 1.00 42.14 C ATOM 977 CZ2 TRP A 69 -8.886 16.500 2.272 1.00 25.12 C ATOM 978 CZ3 TRP A 69 -8.330 18.813 1.865 1.00 50.14 C ATOM 979 CH2 TRP A 69 -9.266 17.774 1.947 1.00 62.42 C ATOM 0 H TRP A 69 -5.211 17.022 5.192 1.00 23.12 H new ATOM 0 HA TRP A 69 -2.551 17.978 4.301 1.00 21.35 H new ATOM 0 HB2 TRP A 69 -3.983 18.227 2.077 1.00 33.10 H new ATOM 0 HB3 TRP A 69 -3.198 16.715 2.489 1.00 33.10 H new ATOM 0 HD1 TRP A 69 -4.787 14.662 3.261 1.00 63.34 H new ATOM 0 HE1 TRP A 69 -7.318 14.205 2.988 1.00 11.15 H new ATOM 0 HE3 TRP A 69 -6.275 19.396 2.043 1.00 42.14 H new ATOM 0 HZ2 TRP A 69 -9.609 15.700 2.335 1.00 25.12 H new ATOM 0 HZ3 TRP A 69 -8.663 19.807 1.606 1.00 50.14 H new ATOM 0 HH2 TRP A 69 -10.307 17.982 1.750 1.00 62.42 H new ATOM 990 N ASN A 70 -5.395 19.533 4.750 1.00 64.43 N ATOM 991 CA ASN A 70 -6.006 20.848 4.918 1.00 23.14 C ATOM 992 C ASN A 70 -6.017 21.259 6.387 1.00 55.42 C ATOM 993 O ASN A 70 -5.312 22.184 6.789 1.00 50.42 O ATOM 994 CB ASN A 70 -7.434 20.844 4.368 1.00 1.31 C ATOM 995 CG ASN A 70 -7.540 21.555 3.032 1.00 4.10 C ATOM 996 OD1 ASN A 70 -6.556 21.679 2.302 1.00 60.22 O ATOM 997 ND2 ASN A 70 -8.739 22.026 2.707 1.00 12.23 N ATOM 0 H ASN A 70 -6.003 18.751 4.995 1.00 64.43 H new ATOM 0 HA ASN A 70 -5.411 21.571 4.361 1.00 23.14 H new ATOM 0 HB2 ASN A 70 -7.775 19.815 4.257 1.00 1.31 H new ATOM 0 HB3 ASN A 70 -8.099 21.324 5.086 1.00 1.31 H new ATOM 0 HD21 ASN A 70 -8.872 22.514 1.821 1.00 12.23 H new ATOM 0 HD22 ASN A 70 -9.526 21.900 3.343 1.00 12.23 H new ATOM 1004 N GLY A 71 -6.821 20.563 7.185 1.00 70.22 N ATOM 1005 CA GLY A 71 -6.908 20.870 8.601 1.00 12.43 C ATOM 1006 C GLY A 71 -7.803 22.061 8.882 1.00 0.23 C ATOM 1007 O GLY A 71 -7.448 22.945 9.662 1.00 52.11 O ATOM 0 H GLY A 71 -7.414 19.792 6.876 1.00 70.22 H new ATOM 0 HA2 GLY A 71 -7.288 20.000 9.136 1.00 12.43 H new ATOM 0 HA3 GLY A 71 -5.909 21.071 8.988 1.00 12.43 H new ATOM 1011 N THR A 72 -8.970 22.086 8.244 1.00 10.13 N ATOM 1012 CA THR A 72 -9.918 23.177 8.427 1.00 54.41 C ATOM 1013 C THR A 72 -11.297 22.650 8.807 1.00 14.43 C ATOM 1014 O THR A 72 -11.905 21.879 8.063 1.00 14.31 O ATOM 1015 CB THR A 72 -10.040 24.033 7.153 1.00 44.13 C ATOM 1016 OG1 THR A 72 -11.196 24.875 7.238 1.00 21.23 O ATOM 1017 CG2 THR A 72 -10.138 23.154 5.916 1.00 31.14 C ATOM 0 H THR A 72 -9.280 21.362 7.596 1.00 10.13 H new ATOM 0 HA THR A 72 -9.534 23.797 9.237 1.00 54.41 H new ATOM 0 HB THR A 72 -9.145 24.650 7.070 1.00 44.13 H new ATOM 0 HG1 THR A 72 -11.266 25.417 6.425 1.00 21.23 H new ATOM 0 HG21 THR A 72 -10.223 23.782 5.029 1.00 31.14 H new ATOM 0 HG22 THR A 72 -9.244 22.535 5.838 1.00 31.14 H new ATOM 0 HG23 THR A 72 -11.017 22.514 5.993 1.00 31.14 H new ATOM 1025 N LEU A 73 -11.787 23.070 9.967 1.00 74.43 N ATOM 1026 CA LEU A 73 -13.096 22.641 10.446 1.00 1.12 C ATOM 1027 C LEU A 73 -13.779 23.752 11.236 1.00 70.33 C ATOM 1028 O LEU A 73 -13.128 24.690 11.696 1.00 21.22 O ATOM 1029 CB LEU A 73 -12.959 21.391 11.316 1.00 14.35 C ATOM 1030 CG LEU A 73 -14.209 20.519 11.443 1.00 43.33 C ATOM 1031 CD1 LEU A 73 -13.914 19.094 11.001 1.00 73.23 C ATOM 1032 CD2 LEU A 73 -14.730 20.540 12.872 1.00 41.25 C ATOM 0 H LEU A 73 -11.297 23.708 10.594 1.00 74.43 H new ATOM 0 HA LEU A 73 -13.713 22.406 9.578 1.00 1.12 H new ATOM 0 HB2 LEU A 73 -12.153 20.778 10.912 1.00 14.35 H new ATOM 0 HB3 LEU A 73 -12.654 21.701 12.316 1.00 14.35 H new ATOM 0 HG LEU A 73 -14.981 20.926 10.790 1.00 43.33 H new ATOM 0 HD11 LEU A 73 -14.815 18.489 11.099 1.00 73.23 H new ATOM 0 HD12 LEU A 73 -13.589 19.096 9.961 1.00 73.23 H new ATOM 0 HD13 LEU A 73 -13.126 18.675 11.627 1.00 73.23 H new ATOM 0 HD21 LEU A 73 -15.620 19.914 12.944 1.00 41.25 H new ATOM 0 HD22 LEU A 73 -13.962 20.158 13.545 1.00 41.25 H new ATOM 0 HD23 LEU A 73 -14.982 21.563 13.152 1.00 41.25 H new ATOM 1044 N ALA A 74 -15.093 23.638 11.394 1.00 4.23 N ATOM 1045 CA ALA A 74 -15.863 24.632 12.133 1.00 32.34 C ATOM 1046 C ALA A 74 -16.154 24.155 13.551 1.00 62.43 C ATOM 1047 O ALA A 74 -16.025 22.973 13.874 1.00 65.35 O ATOM 1048 CB ALA A 74 -17.161 24.943 11.402 1.00 20.22 C ATOM 0 H ALA A 74 -15.647 22.867 11.020 1.00 4.23 H new ATOM 0 HA ALA A 74 -15.268 25.543 12.198 1.00 32.34 H new ATOM 0 HB1 ALA A 74 -17.726 25.686 11.964 1.00 20.22 H new ATOM 0 HB2 ALA A 74 -16.935 25.333 10.410 1.00 20.22 H new ATOM 0 HB3 ALA A 74 -17.753 24.032 11.308 1.00 20.22 H new ATOM 1054 N PRO A 75 -16.555 25.094 14.422 1.00 54.11 N ATOM 1055 CA PRO A 75 -16.871 24.793 15.821 1.00 50.21 C ATOM 1056 C PRO A 75 -18.151 23.977 15.963 1.00 3.14 C ATOM 1057 O PRO A 75 -18.484 23.512 17.053 1.00 5.23 O ATOM 1058 CB PRO A 75 -17.047 26.177 16.450 1.00 45.41 C ATOM 1059 CG PRO A 75 -17.439 27.062 15.317 1.00 13.10 C ATOM 1060 CD PRO A 75 -16.729 26.521 14.106 1.00 65.12 C ATOM 0 HA PRO A 75 -16.096 24.190 16.294 1.00 50.21 H new ATOM 0 HB2 PRO A 75 -17.813 26.165 17.226 1.00 45.41 H new ATOM 0 HB3 PRO A 75 -16.124 26.519 16.918 1.00 45.41 H new ATOM 0 HG2 PRO A 75 -18.519 27.055 15.172 1.00 13.10 H new ATOM 0 HG3 PRO A 75 -17.150 28.095 15.510 1.00 13.10 H new ATOM 0 HD2 PRO A 75 -17.316 26.663 13.199 1.00 65.12 H new ATOM 0 HD3 PRO A 75 -15.772 27.017 13.947 1.00 65.12 H new ATOM 1068 N GLY A 76 -18.865 23.806 14.854 1.00 54.33 N ATOM 1069 CA GLY A 76 -20.101 23.045 14.877 1.00 53.10 C ATOM 1070 C GLY A 76 -20.327 22.268 13.596 1.00 35.11 C ATOM 1071 O GLY A 76 -20.515 22.854 12.531 1.00 71.12 O ATOM 0 H GLY A 76 -18.610 24.181 13.940 1.00 54.33 H new ATOM 0 HA2 GLY A 76 -20.083 22.353 15.719 1.00 53.10 H new ATOM 0 HA3 GLY A 76 -20.939 23.723 15.040 1.00 53.10 H new ATOM 1075 N ALA A 77 -20.306 20.943 13.698 1.00 20.03 N ATOM 1076 CA ALA A 77 -20.510 20.084 12.538 1.00 20.32 C ATOM 1077 C ALA A 77 -20.389 18.611 12.916 1.00 53.01 C ATOM 1078 O ALA A 77 -20.012 18.279 14.041 1.00 31.25 O ATOM 1079 CB ALA A 77 -19.516 20.433 11.441 1.00 0.30 C ATOM 0 H ALA A 77 -20.150 20.441 14.572 1.00 20.03 H new ATOM 0 HA ALA A 77 -21.520 20.254 12.165 1.00 20.32 H new ATOM 0 HB1 ALA A 77 -19.680 19.784 10.581 1.00 0.30 H new ATOM 0 HB2 ALA A 77 -19.654 21.472 11.142 1.00 0.30 H new ATOM 0 HB3 ALA A 77 -18.501 20.294 11.812 1.00 0.30 H new ATOM 1085 N SER A 78 -20.709 17.734 11.971 1.00 71.20 N ATOM 1086 CA SER A 78 -20.640 16.296 12.208 1.00 43.34 C ATOM 1087 C SER A 78 -19.850 15.602 11.104 1.00 11.41 C ATOM 1088 O SER A 78 -20.088 15.828 9.917 1.00 51.03 O ATOM 1089 CB SER A 78 -22.047 15.703 12.294 1.00 3.12 C ATOM 1090 OG SER A 78 -22.841 16.114 11.194 1.00 2.55 O ATOM 0 H SER A 78 -21.019 17.993 11.034 1.00 71.20 H new ATOM 0 HA SER A 78 -20.127 16.133 13.156 1.00 43.34 H new ATOM 0 HB2 SER A 78 -21.986 14.615 12.316 1.00 3.12 H new ATOM 0 HB3 SER A 78 -22.520 16.015 13.225 1.00 3.12 H new ATOM 0 HG SER A 78 -23.735 15.720 11.271 1.00 2.55 H new ATOM 1096 N VAL A 79 -18.906 14.755 11.502 1.00 74.35 N ATOM 1097 CA VAL A 79 -18.080 14.026 10.548 1.00 14.55 C ATOM 1098 C VAL A 79 -17.982 12.550 10.919 1.00 74.24 C ATOM 1099 O VAL A 79 -17.651 12.207 12.055 1.00 13.51 O ATOM 1100 CB VAL A 79 -16.660 14.619 10.465 1.00 23.53 C ATOM 1101 CG1 VAL A 79 -15.979 14.563 11.825 1.00 4.43 C ATOM 1102 CG2 VAL A 79 -15.837 13.886 9.416 1.00 73.53 C ATOM 0 H VAL A 79 -18.694 14.557 12.480 1.00 74.35 H new ATOM 0 HA VAL A 79 -18.563 14.121 9.575 1.00 14.55 H new ATOM 0 HB VAL A 79 -16.737 15.664 10.166 1.00 23.53 H new ATOM 0 HG11 VAL A 79 -14.977 14.986 11.748 1.00 4.43 H new ATOM 0 HG12 VAL A 79 -16.560 15.136 12.547 1.00 4.43 H new ATOM 0 HG13 VAL A 79 -15.911 13.527 12.155 1.00 4.43 H new ATOM 0 HG21 VAL A 79 -14.837 14.318 9.371 1.00 73.53 H new ATOM 0 HG22 VAL A 79 -15.765 12.831 9.682 1.00 73.53 H new ATOM 0 HG23 VAL A 79 -16.318 13.983 8.443 1.00 73.53 H new ATOM 1112 N SER A 80 -18.271 11.682 9.957 1.00 45.41 N ATOM 1113 CA SER A 80 -18.219 10.243 10.184 1.00 12.14 C ATOM 1114 C SER A 80 -17.463 9.542 9.059 1.00 15.34 C ATOM 1115 O SER A 80 -17.597 9.901 7.888 1.00 33.31 O ATOM 1116 CB SER A 80 -19.633 9.671 10.296 1.00 31.35 C ATOM 1117 OG SER A 80 -20.475 10.187 9.279 1.00 13.22 O ATOM 0 H SER A 80 -18.544 11.950 9.011 1.00 45.41 H new ATOM 0 HA SER A 80 -17.688 10.067 11.120 1.00 12.14 H new ATOM 0 HB2 SER A 80 -19.595 8.584 10.224 1.00 31.35 H new ATOM 0 HB3 SER A 80 -20.050 9.912 11.274 1.00 31.35 H new ATOM 0 HG SER A 80 -21.372 9.804 9.372 1.00 13.22 H new ATOM 1123 N PHE A 81 -16.668 8.541 9.422 1.00 54.21 N ATOM 1124 CA PHE A 81 -15.889 7.790 8.444 1.00 61.53 C ATOM 1125 C PHE A 81 -15.980 6.291 8.712 1.00 34.44 C ATOM 1126 O PHE A 81 -16.208 5.864 9.844 1.00 1.33 O ATOM 1127 CB PHE A 81 -14.426 8.237 8.475 1.00 2.23 C ATOM 1128 CG PHE A 81 -13.653 7.679 9.636 1.00 41.43 C ATOM 1129 CD1 PHE A 81 -13.004 6.460 9.532 1.00 10.35 C ATOM 1130 CD2 PHE A 81 -13.574 8.377 10.830 1.00 72.52 C ATOM 1131 CE1 PHE A 81 -12.293 5.945 10.599 1.00 12.13 C ATOM 1132 CE2 PHE A 81 -12.864 7.867 11.901 1.00 54.23 C ATOM 1133 CZ PHE A 81 -12.222 6.650 11.785 1.00 32.01 C ATOM 0 H PHE A 81 -16.546 8.231 10.386 1.00 54.21 H new ATOM 0 HA PHE A 81 -16.302 7.990 7.456 1.00 61.53 H new ATOM 0 HB2 PHE A 81 -13.942 7.933 7.547 1.00 2.23 H new ATOM 0 HB3 PHE A 81 -14.388 9.326 8.513 1.00 2.23 H new ATOM 0 HD1 PHE A 81 -13.054 5.906 8.606 1.00 10.35 H new ATOM 0 HD2 PHE A 81 -14.073 9.330 10.925 1.00 72.52 H new ATOM 0 HE1 PHE A 81 -11.793 4.992 10.506 1.00 12.13 H new ATOM 0 HE2 PHE A 81 -12.812 8.420 12.827 1.00 54.23 H new ATOM 0 HZ PHE A 81 -11.665 6.250 12.620 1.00 32.01 H new ATOM 1143 N GLY A 82 -15.802 5.495 7.662 1.00 52.12 N ATOM 1144 CA GLY A 82 -15.868 4.052 7.804 1.00 42.01 C ATOM 1145 C GLY A 82 -14.616 3.362 7.300 1.00 54.33 C ATOM 1146 O GLY A 82 -13.715 4.008 6.765 1.00 1.31 O ATOM 0 H GLY A 82 -15.613 5.824 6.715 1.00 52.12 H new ATOM 0 HA2 GLY A 82 -16.021 3.800 8.853 1.00 42.01 H new ATOM 0 HA3 GLY A 82 -16.732 3.675 7.257 1.00 42.01 H new ATOM 1150 N PHE A 83 -14.558 2.045 7.472 1.00 52.22 N ATOM 1151 CA PHE A 83 -13.406 1.267 7.033 1.00 74.52 C ATOM 1152 C PHE A 83 -13.655 -0.227 7.219 1.00 64.51 C ATOM 1153 O PHE A 83 -14.698 -0.633 7.730 1.00 73.43 O ATOM 1154 CB PHE A 83 -12.155 1.687 7.808 1.00 53.33 C ATOM 1155 CG PHE A 83 -12.142 1.208 9.232 1.00 30.04 C ATOM 1156 CD1 PHE A 83 -11.651 -0.049 9.550 1.00 2.31 C ATOM 1157 CD2 PHE A 83 -12.623 2.012 10.252 1.00 41.42 C ATOM 1158 CE1 PHE A 83 -11.638 -0.492 10.859 1.00 13.42 C ATOM 1159 CE2 PHE A 83 -12.611 1.574 11.562 1.00 61.51 C ATOM 1160 CZ PHE A 83 -12.119 0.319 11.865 1.00 62.55 C ATOM 0 H PHE A 83 -15.295 1.495 7.912 1.00 52.22 H new ATOM 0 HA PHE A 83 -13.251 1.462 5.972 1.00 74.52 H new ATOM 0 HB2 PHE A 83 -11.274 1.302 7.296 1.00 53.33 H new ATOM 0 HB3 PHE A 83 -12.079 2.774 7.798 1.00 53.33 H new ATOM 0 HD1 PHE A 83 -11.274 -0.689 8.766 1.00 2.31 H new ATOM 0 HD2 PHE A 83 -13.012 2.993 10.021 1.00 41.42 H new ATOM 0 HE1 PHE A 83 -11.251 -1.473 11.094 1.00 13.42 H new ATOM 0 HE2 PHE A 83 -12.986 2.212 12.349 1.00 61.51 H new ATOM 0 HZ PHE A 83 -12.111 -0.026 12.888 1.00 62.55 H new ATOM 1170 N ASN A 84 -12.691 -1.039 6.800 1.00 22.22 N ATOM 1171 CA ASN A 84 -12.806 -2.488 6.919 1.00 52.55 C ATOM 1172 C ASN A 84 -11.551 -3.083 7.550 1.00 73.55 C ATOM 1173 O ASN A 84 -10.438 -2.857 7.078 1.00 45.15 O ATOM 1174 CB ASN A 84 -13.045 -3.116 5.545 1.00 45.32 C ATOM 1175 CG ASN A 84 -12.694 -4.591 5.514 1.00 43.20 C ATOM 1176 OD1 ASN A 84 -12.874 -5.304 6.501 1.00 60.13 O ATOM 1177 ND2 ASN A 84 -12.191 -5.055 4.377 1.00 3.25 N ATOM 0 H ASN A 84 -11.821 -0.719 6.375 1.00 22.22 H new ATOM 0 HA ASN A 84 -13.656 -2.708 7.565 1.00 52.55 H new ATOM 0 HB2 ASN A 84 -14.091 -2.989 5.267 1.00 45.32 H new ATOM 0 HB3 ASN A 84 -12.451 -2.588 4.799 1.00 45.32 H new ATOM 0 HD21 ASN A 84 -11.936 -6.039 4.296 1.00 3.25 H new ATOM 0 HD22 ASN A 84 -12.059 -4.427 3.584 1.00 3.25 H new ATOM 1184 N GLY A 85 -11.740 -3.846 8.622 1.00 34.52 N ATOM 1185 CA GLY A 85 -10.615 -4.463 9.301 1.00 22.52 C ATOM 1186 C GLY A 85 -10.796 -5.958 9.482 1.00 71.11 C ATOM 1187 O GLY A 85 -11.922 -6.447 9.574 1.00 34.51 O ATOM 0 H GLY A 85 -12.652 -4.048 9.032 1.00 34.52 H new ATOM 0 HA2 GLY A 85 -9.704 -4.277 8.732 1.00 22.52 H new ATOM 0 HA3 GLY A 85 -10.482 -3.995 10.277 1.00 22.52 H new ATOM 1191 N SER A 86 -9.684 -6.684 9.532 1.00 24.34 N ATOM 1192 CA SER A 86 -9.724 -8.133 9.697 1.00 63.51 C ATOM 1193 C SER A 86 -9.536 -8.518 11.161 1.00 62.54 C ATOM 1194 O SER A 86 -8.448 -8.377 11.717 1.00 23.11 O ATOM 1195 CB SER A 86 -8.644 -8.796 8.842 1.00 0.33 C ATOM 1196 OG SER A 86 -9.091 -10.039 8.328 1.00 54.23 O ATOM 0 H SER A 86 -8.745 -6.293 9.461 1.00 24.34 H new ATOM 0 HA SER A 86 -10.703 -8.484 9.369 1.00 63.51 H new ATOM 0 HB2 SER A 86 -8.371 -8.136 8.019 1.00 0.33 H new ATOM 0 HB3 SER A 86 -7.745 -8.948 9.440 1.00 0.33 H new ATOM 0 HG SER A 86 -8.383 -10.442 7.783 1.00 54.23 H new ATOM 1202 N GLY A 87 -10.608 -9.004 11.781 1.00 72.42 N ATOM 1203 CA GLY A 87 -10.541 -9.402 13.176 1.00 11.32 C ATOM 1204 C GLY A 87 -11.902 -9.403 13.843 1.00 31.33 C ATOM 1205 O GLY A 87 -12.939 -9.510 13.188 1.00 44.42 O ATOM 0 H GLY A 87 -11.521 -9.129 11.343 1.00 72.42 H new ATOM 0 HA2 GLY A 87 -10.104 -10.398 13.246 1.00 11.32 H new ATOM 0 HA3 GLY A 87 -9.877 -8.724 13.713 1.00 11.32 H new ATOM 1209 N PRO A 88 -11.909 -9.287 15.180 1.00 22.03 N ATOM 1210 CA PRO A 88 -13.147 -9.274 15.965 1.00 72.34 C ATOM 1211 C PRO A 88 -13.956 -7.999 15.752 1.00 23.01 C ATOM 1212 O PRO A 88 -15.178 -8.044 15.616 1.00 73.03 O ATOM 1213 CB PRO A 88 -12.649 -9.354 17.412 1.00 13.24 C ATOM 1214 CG PRO A 88 -11.272 -8.786 17.370 1.00 12.22 C ATOM 1215 CD PRO A 88 -10.711 -9.158 16.025 1.00 63.33 C ATOM 0 HA PRO A 88 -13.817 -10.086 15.683 1.00 72.34 H new ATOM 0 HB2 PRO A 88 -13.292 -8.785 18.084 1.00 13.24 H new ATOM 0 HB3 PRO A 88 -12.642 -10.383 17.772 1.00 13.24 H new ATOM 0 HG2 PRO A 88 -11.292 -7.704 17.499 1.00 12.22 H new ATOM 0 HG3 PRO A 88 -10.658 -9.191 18.174 1.00 12.22 H new ATOM 0 HD2 PRO A 88 -10.033 -8.393 15.647 1.00 63.33 H new ATOM 0 HD3 PRO A 88 -10.148 -10.090 16.068 1.00 63.33 H new ATOM 1223 N GLY A 89 -13.266 -6.863 15.721 1.00 5.23 N ATOM 1224 CA GLY A 89 -13.938 -5.592 15.522 1.00 62.42 C ATOM 1225 C GLY A 89 -14.388 -4.963 16.826 1.00 32.44 C ATOM 1226 O GLY A 89 -15.353 -4.201 16.855 1.00 45.20 O ATOM 0 H GLY A 89 -12.254 -6.800 15.830 1.00 5.23 H new ATOM 0 HA2 GLY A 89 -13.267 -4.907 15.004 1.00 62.42 H new ATOM 0 HA3 GLY A 89 -14.803 -5.739 14.876 1.00 62.42 H new ATOM 1230 N SER A 90 -13.687 -5.286 17.909 1.00 50.34 N ATOM 1231 CA SER A 90 -14.023 -4.752 19.224 1.00 10.31 C ATOM 1232 C SER A 90 -12.927 -3.817 19.726 1.00 44.13 C ATOM 1233 O SER A 90 -12.149 -4.154 20.618 1.00 20.41 O ATOM 1234 CB SER A 90 -14.234 -5.892 20.222 1.00 3.13 C ATOM 1235 OG SER A 90 -15.587 -6.315 20.233 1.00 71.15 O ATOM 0 H SER A 90 -12.884 -5.914 17.901 1.00 50.34 H new ATOM 0 HA SER A 90 -14.948 -4.183 19.133 1.00 10.31 H new ATOM 0 HB2 SER A 90 -13.589 -6.731 19.962 1.00 3.13 H new ATOM 0 HB3 SER A 90 -13.944 -5.564 21.220 1.00 3.13 H new ATOM 0 HG SER A 90 -15.696 -7.045 20.877 1.00 71.15 H new ATOM 1241 N PRO A 91 -12.864 -2.612 19.141 1.00 42.30 N ATOM 1242 CA PRO A 91 -11.868 -1.603 19.513 1.00 5.40 C ATOM 1243 C PRO A 91 -12.120 -1.024 20.900 1.00 41.42 C ATOM 1244 O PRO A 91 -13.246 -1.045 21.397 1.00 41.22 O ATOM 1245 CB PRO A 91 -12.042 -0.522 18.442 1.00 62.55 C ATOM 1246 CG PRO A 91 -13.449 -0.675 17.975 1.00 41.34 C ATOM 1247 CD PRO A 91 -13.760 -2.142 18.071 1.00 23.34 C ATOM 0 HA PRO A 91 -10.862 -2.020 19.558 1.00 5.40 H new ATOM 0 HB2 PRO A 91 -11.867 0.473 18.851 1.00 62.55 H new ATOM 0 HB3 PRO A 91 -11.336 -0.659 17.623 1.00 62.55 H new ATOM 0 HG2 PRO A 91 -14.131 -0.090 18.593 1.00 41.34 H new ATOM 0 HG3 PRO A 91 -13.561 -0.319 16.951 1.00 41.34 H new ATOM 0 HD2 PRO A 91 -14.807 -2.315 18.319 1.00 23.34 H new ATOM 0 HD3 PRO A 91 -13.566 -2.656 17.130 1.00 23.34 H new ATOM 1255 N SER A 92 -11.065 -0.506 21.521 1.00 43.52 N ATOM 1256 CA SER A 92 -11.172 0.077 22.854 1.00 13.13 C ATOM 1257 C SER A 92 -10.175 1.218 23.029 1.00 11.22 C ATOM 1258 O SER A 92 -9.231 1.358 22.252 1.00 25.11 O ATOM 1259 CB SER A 92 -10.934 -0.992 23.921 1.00 70.35 C ATOM 1260 OG SER A 92 -11.637 -2.184 23.616 1.00 44.01 O ATOM 0 H SER A 92 -10.126 -0.478 21.123 1.00 43.52 H new ATOM 0 HA SER A 92 -12.179 0.477 22.969 1.00 13.13 H new ATOM 0 HB2 SER A 92 -9.867 -1.204 23.996 1.00 70.35 H new ATOM 0 HB3 SER A 92 -11.253 -0.617 24.893 1.00 70.35 H new ATOM 0 HG SER A 92 -11.467 -2.852 24.313 1.00 44.01 H new ATOM 1266 N ASN A 93 -10.391 2.032 24.057 1.00 25.12 N ATOM 1267 CA ASN A 93 -9.513 3.163 24.336 1.00 1.12 C ATOM 1268 C ASN A 93 -9.545 4.171 23.191 1.00 41.03 C ATOM 1269 O ASN A 93 -8.530 4.419 22.540 1.00 52.14 O ATOM 1270 CB ASN A 93 -8.080 2.678 24.562 1.00 31.55 C ATOM 1271 CG ASN A 93 -8.027 1.361 25.314 1.00 24.24 C ATOM 1272 OD1 ASN A 93 -7.693 0.322 24.744 1.00 63.45 O ATOM 1273 ND2 ASN A 93 -8.358 1.401 26.599 1.00 30.32 N ATOM 0 H ASN A 93 -11.167 1.930 24.711 1.00 25.12 H new ATOM 0 HA ASN A 93 -9.871 3.655 25.241 1.00 1.12 H new ATOM 0 HB2 ASN A 93 -7.582 2.564 23.599 1.00 31.55 H new ATOM 0 HB3 ASN A 93 -7.527 3.434 25.119 1.00 31.55 H new ATOM 0 HD21 ASN A 93 -8.342 0.547 27.157 1.00 30.32 H new ATOM 0 HD22 ASN A 93 -8.628 2.286 27.029 1.00 30.32 H new ATOM 1280 N CYS A 94 -10.717 4.751 22.954 1.00 1.13 N ATOM 1281 CA CYS A 94 -10.881 5.733 21.889 1.00 24.32 C ATOM 1282 C CYS A 94 -10.575 7.140 22.393 1.00 20.40 C ATOM 1283 O CYS A 94 -11.065 7.554 23.445 1.00 1.02 O ATOM 1284 CB CYS A 94 -12.305 5.677 21.331 1.00 54.33 C ATOM 1285 SG CYS A 94 -13.592 6.001 22.559 1.00 3.33 S ATOM 0 H CYS A 94 -11.566 4.558 23.485 1.00 1.13 H new ATOM 0 HA CYS A 94 -10.176 5.491 21.094 1.00 24.32 H new ATOM 0 HB2 CYS A 94 -12.396 6.404 20.524 1.00 54.33 H new ATOM 0 HB3 CYS A 94 -12.474 4.693 20.894 1.00 54.33 H new ATOM 0 HG CYS A 94 -14.235 7.084 22.238 1.00 3.33 H new ATOM 1291 N LYS A 95 -9.761 7.869 21.639 1.00 1.35 N ATOM 1292 CA LYS A 95 -9.388 9.229 22.009 1.00 12.44 C ATOM 1293 C LYS A 95 -9.192 10.096 20.769 1.00 12.43 C ATOM 1294 O LYS A 95 -8.361 9.791 19.911 1.00 51.14 O ATOM 1295 CB LYS A 95 -8.106 9.219 22.844 1.00 12.13 C ATOM 1296 CG LYS A 95 -7.002 8.357 22.255 1.00 45.15 C ATOM 1297 CD LYS A 95 -7.088 6.925 22.752 1.00 23.32 C ATOM 1298 CE LYS A 95 -6.125 6.676 23.902 1.00 35.43 C ATOM 1299 NZ LYS A 95 -5.518 5.317 23.834 1.00 32.11 N ATOM 0 H LYS A 95 -9.346 7.541 20.767 1.00 1.35 H new ATOM 0 HA LYS A 95 -10.198 9.652 22.603 1.00 12.44 H new ATOM 0 HB2 LYS A 95 -7.741 10.241 22.947 1.00 12.13 H new ATOM 0 HB3 LYS A 95 -8.339 8.861 23.847 1.00 12.13 H new ATOM 0 HG2 LYS A 95 -7.070 8.370 21.167 1.00 45.15 H new ATOM 0 HG3 LYS A 95 -6.031 8.777 22.519 1.00 45.15 H new ATOM 0 HD2 LYS A 95 -8.107 6.712 23.076 1.00 23.32 H new ATOM 0 HD3 LYS A 95 -6.864 6.241 21.934 1.00 23.32 H new ATOM 0 HE2 LYS A 95 -5.336 7.427 23.884 1.00 35.43 H new ATOM 0 HE3 LYS A 95 -6.653 6.791 24.849 1.00 35.43 H new ATOM 0 HZ1 LYS A 95 -4.921 5.161 24.671 1.00 32.11 H new ATOM 0 HZ2 LYS A 95 -6.272 4.601 23.809 1.00 32.11 H new ATOM 0 HZ3 LYS A 95 -4.937 5.239 22.975 1.00 32.11 H new ATOM 1313 N LEU A 96 -9.959 11.176 20.680 1.00 4.03 N ATOM 1314 CA LEU A 96 -9.869 12.089 19.545 1.00 32.11 C ATOM 1315 C LEU A 96 -9.895 13.540 20.010 1.00 41.34 C ATOM 1316 O LEU A 96 -10.409 13.850 21.084 1.00 31.53 O ATOM 1317 CB LEU A 96 -11.017 11.833 18.567 1.00 2.50 C ATOM 1318 CG LEU A 96 -12.415 12.198 19.064 1.00 64.41 C ATOM 1319 CD1 LEU A 96 -12.796 13.598 18.610 1.00 73.40 C ATOM 1320 CD2 LEU A 96 -13.438 11.181 18.576 1.00 72.23 C ATOM 0 H LEU A 96 -10.651 11.442 21.380 1.00 4.03 H new ATOM 0 HA LEU A 96 -8.921 11.907 19.038 1.00 32.11 H new ATOM 0 HB2 LEU A 96 -10.821 12.393 17.653 1.00 2.50 H new ATOM 0 HB3 LEU A 96 -11.012 10.776 18.301 1.00 2.50 H new ATOM 0 HG LEU A 96 -12.406 12.182 20.154 1.00 64.41 H new ATOM 0 HD11 LEU A 96 -13.795 13.839 18.974 1.00 73.40 H new ATOM 0 HD12 LEU A 96 -12.081 14.317 19.009 1.00 73.40 H new ATOM 0 HD13 LEU A 96 -12.786 13.643 17.521 1.00 73.40 H new ATOM 0 HD21 LEU A 96 -14.428 11.457 18.940 1.00 72.23 H new ATOM 0 HD22 LEU A 96 -13.443 11.165 17.486 1.00 72.23 H new ATOM 0 HD23 LEU A 96 -13.176 10.192 18.952 1.00 72.23 H new ATOM 1332 N ASN A 97 -9.340 14.429 19.192 1.00 13.34 N ATOM 1333 CA ASN A 97 -9.301 15.849 19.519 1.00 4.52 C ATOM 1334 C ASN A 97 -8.453 16.099 20.762 1.00 54.32 C ATOM 1335 O ASN A 97 -8.797 16.924 21.606 1.00 63.13 O ATOM 1336 CB ASN A 97 -10.719 16.382 19.740 1.00 32.42 C ATOM 1337 CG ASN A 97 -10.932 17.743 19.106 1.00 33.20 C ATOM 1338 OD1 ASN A 97 -11.230 17.845 17.916 1.00 64.10 O ATOM 1339 ND2 ASN A 97 -10.777 18.796 19.901 1.00 0.21 N ATOM 0 H ASN A 97 -8.911 14.190 18.298 1.00 13.34 H new ATOM 0 HA ASN A 97 -8.848 16.377 18.680 1.00 4.52 H new ATOM 0 HB2 ASN A 97 -11.438 15.675 19.326 1.00 32.42 H new ATOM 0 HB3 ASN A 97 -10.916 16.448 20.810 1.00 32.42 H new ATOM 0 HD21 ASN A 97 -10.905 19.738 19.531 1.00 0.21 H new ATOM 0 HD22 ASN A 97 -10.530 18.663 20.882 1.00 0.21 H new ATOM 1346 N GLY A 98 -7.339 15.380 20.866 1.00 41.12 N ATOM 1347 CA GLY A 98 -6.458 15.538 22.008 1.00 34.43 C ATOM 1348 C GLY A 98 -6.944 14.778 23.226 1.00 23.13 C ATOM 1349 O GLY A 98 -6.599 15.116 24.356 1.00 50.01 O ATOM 0 H GLY A 98 -7.031 14.691 20.180 1.00 41.12 H new ATOM 0 HA2 GLY A 98 -5.459 15.192 21.743 1.00 34.43 H new ATOM 0 HA3 GLY A 98 -6.374 16.597 22.254 1.00 34.43 H new ATOM 1353 N GLY A 99 -7.752 13.746 22.994 1.00 41.43 N ATOM 1354 CA GLY A 99 -8.276 12.954 24.091 1.00 13.33 C ATOM 1355 C GLY A 99 -9.634 13.438 24.560 1.00 15.30 C ATOM 1356 O GLY A 99 -9.756 14.011 25.642 1.00 12.50 O ATOM 0 H GLY A 99 -8.052 13.446 22.067 1.00 41.43 H new ATOM 0 HA2 GLY A 99 -8.353 11.913 23.779 1.00 13.33 H new ATOM 0 HA3 GLY A 99 -7.575 12.985 24.925 1.00 13.33 H new ATOM 1360 N SER A 100 -10.656 13.207 23.742 1.00 40.11 N ATOM 1361 CA SER A 100 -12.011 13.629 24.076 1.00 62.23 C ATOM 1362 C SER A 100 -13.042 12.784 23.335 1.00 20.04 C ATOM 1363 O SER A 100 -13.262 12.962 22.136 1.00 55.15 O ATOM 1364 CB SER A 100 -12.207 15.108 23.736 1.00 11.25 C ATOM 1365 OG SER A 100 -12.176 15.316 22.334 1.00 55.31 O ATOM 0 H SER A 100 -10.571 12.730 22.844 1.00 40.11 H new ATOM 0 HA SER A 100 -12.154 13.488 25.147 1.00 62.23 H new ATOM 0 HB2 SER A 100 -13.160 15.454 24.137 1.00 11.25 H new ATOM 0 HB3 SER A 100 -11.426 15.701 24.212 1.00 11.25 H new ATOM 0 HG SER A 100 -11.824 14.515 21.892 1.00 55.31 H new ATOM 1371 N CYS A 101 -13.671 11.862 24.056 1.00 61.02 N ATOM 1372 CA CYS A 101 -14.678 10.986 23.467 1.00 71.03 C ATOM 1373 C CYS A 101 -15.442 10.231 24.550 1.00 71.21 C ATOM 1374 O CYS A 101 -14.881 9.379 25.240 1.00 64.22 O ATOM 1375 CB CYS A 101 -14.023 9.996 22.504 1.00 13.33 C ATOM 1376 SG CYS A 101 -15.197 9.046 21.510 1.00 0.44 S ATOM 0 H CYS A 101 -13.502 11.702 25.049 1.00 61.02 H new ATOM 0 HA CYS A 101 -15.384 11.606 22.914 1.00 71.03 H new ATOM 0 HB2 CYS A 101 -13.357 10.542 21.836 1.00 13.33 H new ATOM 0 HB3 CYS A 101 -13.405 9.304 23.076 1.00 13.33 H new ATOM 0 HG CYS A 101 -14.547 8.238 20.726 1.00 0.44 H new