USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 816 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 29 TYR OH : rot 162:sc= 0.813 USER MOD Set 1.2: A 80 ASN : amide:sc= -1.13 K(o=1.6,f=0.14!) USER MOD Set 1.3: A 97 THR OG1 : rot 144:sc= 1.93 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0324 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.278 K(o=0.28,f=-3.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.763 K(o=0.76,f=-5.1!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.119 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -20:sc= 1.1 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -110:sc= -0.41 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.0265 X(o=-0.026,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 99:sc= 0.669 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -160:sc= 0 USER MOD Single : A 89 HIS : +bothHN:sc= 0.325 K(o=0.32,f=-4.5!) USER MOD Single : A 90 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.052) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -154:sc=-0.00426 (180deg=-0.805) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 14.639 -2.459 4.591 1.00 51.13 N ATOM 64 CA VAL A 7 15.234 -3.770 4.354 1.00 30.52 C ATOM 65 C VAL A 7 14.619 -4.825 5.266 1.00 13.24 C ATOM 66 O VAL A 7 14.010 -5.787 4.798 1.00 1.13 O ATOM 67 CB VAL A 7 16.758 -3.741 4.572 1.00 43.41 C ATOM 68 CG1 VAL A 7 17.357 -5.119 4.331 1.00 73.40 C ATOM 69 CG2 VAL A 7 17.407 -2.703 3.669 1.00 45.42 C ATOM 0 HA VAL A 7 15.029 -4.029 3.315 1.00 30.52 H new ATOM 0 HB VAL A 7 16.954 -3.461 5.607 1.00 43.41 H new ATOM 0 HG11 VAL A 7 18.435 -5.080 4.489 1.00 73.40 H new ATOM 0 HG12 VAL A 7 16.914 -5.835 5.024 1.00 73.40 H new ATOM 0 HG13 VAL A 7 17.152 -5.431 3.307 1.00 73.40 H new ATOM 0 HG21 VAL A 7 18.484 -2.697 3.837 1.00 45.42 H new ATOM 0 HG22 VAL A 7 17.204 -2.949 2.627 1.00 45.42 H new ATOM 0 HG23 VAL A 7 16.999 -1.718 3.895 1.00 45.42 H new ATOM 79 N LEU A 8 14.784 -4.638 6.571 1.00 43.11 N ATOM 80 CA LEU A 8 14.245 -5.574 7.552 1.00 13.10 C ATOM 81 C LEU A 8 13.057 -4.966 8.290 1.00 63.04 C ATOM 82 O LEU A 8 13.164 -3.891 8.880 1.00 65.02 O ATOM 83 CB LEU A 8 15.330 -5.975 8.553 1.00 44.44 C ATOM 84 CG LEU A 8 16.512 -6.761 7.983 1.00 71.31 C ATOM 85 CD1 LEU A 8 17.450 -7.198 9.097 1.00 33.54 C ATOM 86 CD2 LEU A 8 16.021 -7.966 7.194 1.00 11.10 C ATOM 0 H LEU A 8 15.286 -3.847 6.974 1.00 43.11 H new ATOM 0 HA LEU A 8 13.903 -6.462 7.020 1.00 13.10 H new ATOM 0 HB2 LEU A 8 15.714 -5.070 9.024 1.00 44.44 H new ATOM 0 HB3 LEU A 8 14.868 -6.572 9.339 1.00 44.44 H new ATOM 0 HG LEU A 8 17.064 -6.109 7.306 1.00 71.31 H new ATOM 0 HD11 LEU A 8 18.285 -7.756 8.672 1.00 33.54 H new ATOM 0 HD12 LEU A 8 17.829 -6.319 9.619 1.00 33.54 H new ATOM 0 HD13 LEU A 8 16.910 -7.833 9.800 1.00 33.54 H new ATOM 0 HD21 LEU A 8 16.876 -8.513 6.796 1.00 11.10 H new ATOM 0 HD22 LEU A 8 15.445 -8.620 7.849 1.00 11.10 H new ATOM 0 HD23 LEU A 8 15.390 -7.630 6.371 1.00 11.10 H new ATOM 98 N SER A 9 11.924 -5.662 8.253 1.00 11.05 N ATOM 99 CA SER A 9 10.715 -5.190 8.916 1.00 23.12 C ATOM 100 C SER A 9 10.858 -5.279 10.433 1.00 65.13 C ATOM 101 O SER A 9 11.925 -5.604 10.949 1.00 14.45 O ATOM 102 CB SER A 9 9.505 -6.005 8.458 1.00 75.23 C ATOM 103 OG SER A 9 9.325 -7.153 9.270 1.00 24.41 O ATOM 0 H SER A 9 11.819 -6.555 7.771 1.00 11.05 H new ATOM 0 HA SER A 9 10.564 -4.146 8.643 1.00 23.12 H new ATOM 0 HB2 SER A 9 8.609 -5.385 8.496 1.00 75.23 H new ATOM 0 HB3 SER A 9 9.639 -6.308 7.419 1.00 75.23 H new ATOM 0 HG SER A 9 8.544 -7.656 8.957 1.00 24.41 H new ATOM 109 N GLY A 10 9.771 -4.987 11.142 1.00 62.41 N ATOM 110 CA GLY A 10 9.795 -5.039 12.591 1.00 45.01 C ATOM 111 C GLY A 10 10.239 -6.390 13.116 1.00 51.44 C ATOM 112 O GLY A 10 11.128 -6.473 13.962 1.00 2.40 O ATOM 0 H GLY A 10 8.875 -4.715 10.738 1.00 62.41 H new ATOM 0 HA2 GLY A 10 10.467 -4.268 12.968 1.00 45.01 H new ATOM 0 HA3 GLY A 10 8.801 -4.812 12.976 1.00 45.01 H new ATOM 116 N GLY A 11 9.618 -7.453 12.612 1.00 14.14 N ATOM 117 CA GLY A 11 9.968 -8.792 13.048 1.00 62.32 C ATOM 118 C GLY A 11 11.384 -9.175 12.665 1.00 41.30 C ATOM 119 O GLY A 11 12.120 -9.741 13.474 1.00 74.21 O ATOM 0 H GLY A 11 8.879 -7.410 11.910 1.00 14.14 H new ATOM 0 HA2 GLY A 11 9.857 -8.859 14.130 1.00 62.32 H new ATOM 0 HA3 GLY A 11 9.271 -9.507 12.611 1.00 62.32 H new ATOM 123 N GLU A 12 11.765 -8.868 11.430 1.00 35.12 N ATOM 124 CA GLU A 12 13.102 -9.187 10.942 1.00 32.34 C ATOM 125 C GLU A 12 14.163 -8.412 11.718 1.00 12.43 C ATOM 126 O GLU A 12 15.278 -8.897 11.921 1.00 11.34 O ATOM 127 CB GLU A 12 13.214 -8.869 9.449 1.00 51.45 C ATOM 128 CG GLU A 12 12.042 -9.380 8.629 1.00 3.24 C ATOM 129 CD GLU A 12 12.255 -9.208 7.138 1.00 65.44 C ATOM 130 OE1 GLU A 12 11.882 -8.141 6.605 1.00 54.31 O ATOM 131 OE2 GLU A 12 12.792 -10.139 6.503 1.00 53.21 O ATOM 0 H GLU A 12 11.168 -8.399 10.749 1.00 35.12 H new ATOM 0 HA GLU A 12 13.271 -10.253 11.093 1.00 32.34 H new ATOM 0 HB2 GLU A 12 13.293 -7.789 9.321 1.00 51.45 H new ATOM 0 HB3 GLU A 12 14.135 -9.304 9.061 1.00 51.45 H new ATOM 0 HG2 GLU A 12 11.881 -10.435 8.850 1.00 3.24 H new ATOM 0 HG3 GLU A 12 11.137 -8.851 8.926 1.00 3.24 H new ATOM 138 N LEU A 13 13.811 -7.207 12.151 1.00 64.43 N ATOM 139 CA LEU A 13 14.731 -6.364 12.905 1.00 62.40 C ATOM 140 C LEU A 13 15.044 -6.980 14.264 1.00 3.54 C ATOM 141 O LEU A 13 16.208 -7.121 14.640 1.00 52.22 O ATOM 142 CB LEU A 13 14.139 -4.966 13.089 1.00 22.11 C ATOM 143 CG LEU A 13 15.132 -3.858 13.443 1.00 25.20 C ATOM 144 CD1 LEU A 13 15.934 -3.449 12.217 1.00 61.13 C ATOM 145 CD2 LEU A 13 14.404 -2.657 14.030 1.00 20.15 C ATOM 0 H LEU A 13 12.893 -6.791 11.992 1.00 64.43 H new ATOM 0 HA LEU A 13 15.660 -6.286 12.340 1.00 62.40 H new ATOM 0 HB2 LEU A 13 13.626 -4.686 12.169 1.00 22.11 H new ATOM 0 HB3 LEU A 13 13.383 -5.013 13.873 1.00 22.11 H new ATOM 0 HG LEU A 13 15.823 -4.242 14.193 1.00 25.20 H new ATOM 0 HD11 LEU A 13 16.635 -2.660 12.488 1.00 61.13 H new ATOM 0 HD12 LEU A 13 16.485 -4.310 11.839 1.00 61.13 H new ATOM 0 HD13 LEU A 13 15.257 -3.084 11.445 1.00 61.13 H new ATOM 0 HD21 LEU A 13 15.126 -1.878 14.276 1.00 20.15 H new ATOM 0 HD22 LEU A 13 13.690 -2.273 13.302 1.00 20.15 H new ATOM 0 HD23 LEU A 13 13.874 -2.959 14.933 1.00 20.15 H new ATOM 157 N ASP A 14 13.998 -7.345 14.997 1.00 1.25 N ATOM 158 CA ASP A 14 14.161 -7.950 16.314 1.00 64.10 C ATOM 159 C ASP A 14 15.119 -9.134 16.254 1.00 54.43 C ATOM 160 O ASP A 14 16.071 -9.218 17.029 1.00 10.31 O ATOM 161 CB ASP A 14 12.806 -8.401 16.863 1.00 1.33 C ATOM 162 CG ASP A 14 12.874 -8.788 18.328 1.00 32.42 C ATOM 163 OD1 ASP A 14 13.698 -8.200 19.059 1.00 34.03 O ATOM 164 OD2 ASP A 14 12.103 -9.677 18.742 1.00 53.44 O ATOM 0 H ASP A 14 13.028 -7.233 14.702 1.00 1.25 H new ATOM 0 HA ASP A 14 14.583 -7.199 16.982 1.00 64.10 H new ATOM 0 HB2 ASP A 14 12.080 -7.598 16.736 1.00 1.33 H new ATOM 0 HB3 ASP A 14 12.446 -9.250 16.282 1.00 1.33 H new ATOM 169 N LYS A 15 14.860 -10.051 15.327 1.00 51.41 N ATOM 170 CA LYS A 15 15.699 -11.233 15.164 1.00 70.12 C ATOM 171 C LYS A 15 17.078 -10.853 14.633 1.00 4.22 C ATOM 172 O LYS A 15 18.090 -11.418 15.048 1.00 23.33 O ATOM 173 CB LYS A 15 15.032 -12.229 14.213 1.00 11.30 C ATOM 174 CG LYS A 15 14.975 -13.646 14.758 1.00 13.51 C ATOM 175 CD LYS A 15 13.589 -13.986 15.280 1.00 53.34 C ATOM 176 CE LYS A 15 13.661 -14.871 16.516 1.00 23.50 C ATOM 177 NZ LYS A 15 12.359 -15.537 16.797 1.00 12.43 N ATOM 0 H LYS A 15 14.076 -9.998 14.677 1.00 51.41 H new ATOM 0 HA LYS A 15 15.821 -11.699 16.142 1.00 70.12 H new ATOM 0 HB2 LYS A 15 14.018 -11.890 13.998 1.00 11.30 H new ATOM 0 HB3 LYS A 15 15.574 -12.234 13.267 1.00 11.30 H new ATOM 0 HG2 LYS A 15 15.252 -14.350 13.974 1.00 13.51 H new ATOM 0 HG3 LYS A 15 15.705 -13.758 15.560 1.00 13.51 H new ATOM 0 HD2 LYS A 15 13.054 -13.067 15.520 1.00 53.34 H new ATOM 0 HD3 LYS A 15 13.020 -14.493 14.501 1.00 53.34 H new ATOM 0 HE2 LYS A 15 14.433 -15.627 16.377 1.00 23.50 H new ATOM 0 HE3 LYS A 15 13.955 -14.270 17.377 1.00 23.50 H new ATOM 0 HZ1 LYS A 15 12.449 -16.131 17.646 1.00 12.43 H new ATOM 0 HZ2 LYS A 15 11.627 -14.815 16.955 1.00 12.43 H new ATOM 0 HZ3 LYS A 15 12.091 -16.131 15.986 1.00 12.43 H new ATOM 191 N TRP A 16 17.109 -9.892 13.717 1.00 74.14 N ATOM 192 CA TRP A 16 18.365 -9.436 13.131 1.00 60.11 C ATOM 193 C TRP A 16 19.335 -8.976 14.214 1.00 54.14 C ATOM 194 O TRP A 16 20.537 -9.225 14.127 1.00 2.02 O ATOM 195 CB TRP A 16 18.107 -8.297 12.144 1.00 65.43 C ATOM 196 CG TRP A 16 19.362 -7.656 11.634 1.00 1.12 C ATOM 197 CD1 TRP A 16 19.912 -6.480 12.058 1.00 12.24 C ATOM 198 CD2 TRP A 16 20.221 -8.156 10.604 1.00 34.53 C ATOM 199 NE1 TRP A 16 21.063 -6.218 11.353 1.00 43.41 N ATOM 200 CE2 TRP A 16 21.274 -7.232 10.456 1.00 74.32 C ATOM 201 CE3 TRP A 16 20.205 -9.294 9.794 1.00 11.23 C ATOM 202 CZ2 TRP A 16 22.298 -7.413 9.530 1.00 23.04 C ATOM 203 CZ3 TRP A 16 21.222 -9.472 8.876 1.00 75.12 C ATOM 204 CH2 TRP A 16 22.258 -8.536 8.749 1.00 3.40 C ATOM 0 H TRP A 16 16.280 -9.414 13.364 1.00 74.14 H new ATOM 0 HA TRP A 16 18.814 -10.274 12.598 1.00 60.11 H new ATOM 0 HB2 TRP A 16 17.535 -8.681 11.299 1.00 65.43 H new ATOM 0 HB3 TRP A 16 17.491 -7.539 12.628 1.00 65.43 H new ATOM 0 HD1 TRP A 16 19.503 -5.849 12.833 1.00 12.24 H new ATOM 0 HE1 TRP A 16 21.662 -5.402 11.477 1.00 43.41 H new ATOM 0 HE3 TRP A 16 19.412 -10.022 9.884 1.00 11.23 H new ATOM 0 HZ2 TRP A 16 23.096 -6.692 9.432 1.00 23.04 H new ATOM 0 HZ3 TRP A 16 21.219 -10.348 8.245 1.00 75.12 H new ATOM 0 HH2 TRP A 16 23.039 -8.704 8.022 1.00 3.40 H new ATOM 215 N GLU A 17 18.805 -8.307 15.232 1.00 14.25 N ATOM 216 CA GLU A 17 19.627 -7.813 16.332 1.00 72.14 C ATOM 217 C GLU A 17 19.993 -8.944 17.288 1.00 51.52 C ATOM 218 O GLU A 17 20.826 -8.775 18.179 1.00 30.22 O ATOM 219 CB GLU A 17 18.892 -6.707 17.090 1.00 4.24 C ATOM 220 CG GLU A 17 18.766 -5.411 16.306 1.00 0.43 C ATOM 221 CD GLU A 17 18.594 -4.201 17.205 1.00 71.44 C ATOM 222 OE1 GLU A 17 19.118 -4.224 18.337 1.00 1.24 O ATOM 223 OE2 GLU A 17 17.935 -3.231 16.774 1.00 10.31 O ATOM 0 H GLU A 17 17.811 -8.094 15.319 1.00 14.25 H new ATOM 0 HA GLU A 17 20.546 -7.405 15.911 1.00 72.14 H new ATOM 0 HB2 GLU A 17 17.895 -7.060 17.354 1.00 4.24 H new ATOM 0 HB3 GLU A 17 19.418 -6.507 18.024 1.00 4.24 H new ATOM 0 HG2 GLU A 17 19.654 -5.277 15.688 1.00 0.43 H new ATOM 0 HG3 GLU A 17 17.914 -5.481 15.630 1.00 0.43 H new ATOM 230 N LYS A 18 19.363 -10.099 17.097 1.00 32.23 N ATOM 231 CA LYS A 18 19.622 -11.260 17.941 1.00 24.14 C ATOM 232 C LYS A 18 20.503 -12.273 17.218 1.00 72.54 C ATOM 233 O LYS A 18 20.324 -13.483 17.366 1.00 3.21 O ATOM 234 CB LYS A 18 18.304 -11.918 18.355 1.00 44.04 C ATOM 235 CG LYS A 18 18.388 -12.673 19.670 1.00 43.23 C ATOM 236 CD LYS A 18 18.148 -11.755 20.857 1.00 11.54 C ATOM 237 CE LYS A 18 19.080 -12.085 22.014 1.00 64.54 C ATOM 238 NZ LYS A 18 18.446 -11.806 23.332 1.00 23.13 N ATOM 0 H LYS A 18 18.670 -10.256 16.365 1.00 32.23 H new ATOM 0 HA LYS A 18 20.148 -10.920 18.833 1.00 24.14 H new ATOM 0 HB2 LYS A 18 17.534 -11.151 18.435 1.00 44.04 H new ATOM 0 HB3 LYS A 18 17.989 -12.606 17.570 1.00 44.04 H new ATOM 0 HG2 LYS A 18 17.652 -13.477 19.676 1.00 43.23 H new ATOM 0 HG3 LYS A 18 19.370 -13.138 19.761 1.00 43.23 H new ATOM 0 HD2 LYS A 18 18.296 -10.719 20.553 1.00 11.54 H new ATOM 0 HD3 LYS A 18 17.113 -11.846 21.185 1.00 11.54 H new ATOM 0 HE2 LYS A 18 19.365 -13.136 21.963 1.00 64.54 H new ATOM 0 HE3 LYS A 18 19.996 -11.502 21.921 1.00 64.54 H new ATOM 0 HZ1 LYS A 18 19.112 -12.043 24.095 1.00 23.13 H new ATOM 0 HZ2 LYS A 18 18.197 -10.798 23.391 1.00 23.13 H new ATOM 0 HZ3 LYS A 18 17.586 -12.381 23.432 1.00 23.13 H new ATOM 252 N ILE A 19 21.453 -11.772 16.435 1.00 11.42 N ATOM 253 CA ILE A 19 22.363 -12.634 15.692 1.00 55.15 C ATOM 254 C ILE A 19 23.812 -12.196 15.877 1.00 42.34 C ATOM 255 O ILE A 19 24.182 -11.076 15.524 1.00 62.05 O ATOM 256 CB ILE A 19 22.029 -12.642 14.188 1.00 70.12 C ATOM 257 CG1 ILE A 19 20.594 -13.121 13.965 1.00 63.34 C ATOM 258 CG2 ILE A 19 23.011 -13.523 13.432 1.00 13.12 C ATOM 259 CD1 ILE A 19 20.017 -12.700 12.631 1.00 53.35 C ATOM 0 H ILE A 19 21.612 -10.774 16.299 1.00 11.42 H new ATOM 0 HA ILE A 19 22.238 -13.641 16.090 1.00 55.15 H new ATOM 0 HB ILE A 19 22.116 -11.625 13.806 1.00 70.12 H new ATOM 0 HG12 ILE A 19 20.567 -14.208 14.036 1.00 63.34 H new ATOM 0 HG13 ILE A 19 19.962 -12.733 14.764 1.00 63.34 H new ATOM 0 HG21 ILE A 19 22.762 -13.518 12.371 1.00 13.12 H new ATOM 0 HG22 ILE A 19 24.023 -13.141 13.569 1.00 13.12 H new ATOM 0 HG23 ILE A 19 22.954 -14.542 13.814 1.00 13.12 H new ATOM 0 HD11 ILE A 19 18.997 -13.074 12.541 1.00 53.35 H new ATOM 0 HD12 ILE A 19 20.011 -11.612 12.564 1.00 53.35 H new ATOM 0 HD13 ILE A 19 20.626 -13.110 11.825 1.00 53.35 H new ATOM 271 N ARG A 20 24.627 -13.087 16.433 1.00 31.34 N ATOM 272 CA ARG A 20 26.036 -12.791 16.666 1.00 62.31 C ATOM 273 C ARG A 20 26.849 -12.983 15.388 1.00 23.25 C ATOM 274 O ARG A 20 26.673 -13.967 14.669 1.00 32.10 O ATOM 275 CB ARG A 20 26.590 -13.687 17.775 1.00 51.23 C ATOM 276 CG ARG A 20 25.825 -13.580 19.084 1.00 34.44 C ATOM 277 CD ARG A 20 25.708 -14.931 19.772 1.00 30.14 C ATOM 278 NE ARG A 20 24.437 -15.078 20.475 1.00 71.43 N ATOM 279 CZ ARG A 20 24.188 -16.047 21.351 1.00 34.53 C ATOM 280 NH1 ARG A 20 25.121 -16.947 21.629 1.00 3.30 N ATOM 281 NH2 ARG A 20 23.007 -16.115 21.949 1.00 64.42 N ATOM 0 H ARG A 20 24.336 -14.018 16.730 1.00 31.34 H new ATOM 0 HA ARG A 20 26.117 -11.749 16.976 1.00 62.31 H new ATOM 0 HB2 ARG A 20 26.571 -14.723 17.437 1.00 51.23 H new ATOM 0 HB3 ARG A 20 27.634 -13.428 17.952 1.00 51.23 H new ATOM 0 HG2 ARG A 20 26.330 -12.876 19.745 1.00 34.44 H new ATOM 0 HG3 ARG A 20 24.829 -13.180 18.893 1.00 34.44 H new ATOM 0 HD2 ARG A 20 25.807 -15.725 19.032 1.00 30.14 H new ATOM 0 HD3 ARG A 20 26.529 -15.050 20.479 1.00 30.14 H new ATOM 0 HE ARG A 20 23.699 -14.400 20.284 1.00 71.43 H new ATOM 0 HH11 ARG A 20 26.031 -16.897 21.171 1.00 3.30 H new ATOM 0 HH12 ARG A 20 24.929 -17.690 22.301 1.00 3.30 H new ATOM 0 HH21 ARG A 20 22.288 -15.423 21.737 1.00 64.42 H new ATOM 0 HH22 ARG A 20 22.818 -16.859 22.621 1.00 64.42 H new ATOM 295 N LEU A 21 27.738 -12.035 15.112 1.00 24.23 N ATOM 296 CA LEU A 21 28.578 -12.098 13.921 1.00 53.20 C ATOM 297 C LEU A 21 29.400 -13.383 13.902 1.00 12.31 C ATOM 298 O LEU A 21 29.791 -13.865 12.840 1.00 71.34 O ATOM 299 CB LEU A 21 29.508 -10.884 13.864 1.00 24.41 C ATOM 300 CG LEU A 21 28.842 -9.519 14.046 1.00 51.30 C ATOM 301 CD1 LEU A 21 29.748 -8.584 14.831 1.00 24.45 C ATOM 302 CD2 LEU A 21 28.489 -8.914 12.694 1.00 44.44 C ATOM 0 H LEU A 21 27.896 -11.214 15.696 1.00 24.23 H new ATOM 0 HA LEU A 21 27.927 -12.091 13.047 1.00 53.20 H new ATOM 0 HB2 LEU A 21 30.271 -10.999 14.634 1.00 24.41 H new ATOM 0 HB3 LEU A 21 30.022 -10.890 12.903 1.00 24.41 H new ATOM 0 HG LEU A 21 27.920 -9.657 14.611 1.00 51.30 H new ATOM 0 HD11 LEU A 21 29.258 -7.618 14.951 1.00 24.45 H new ATOM 0 HD12 LEU A 21 29.950 -9.012 15.813 1.00 24.45 H new ATOM 0 HD13 LEU A 21 30.687 -8.450 14.293 1.00 24.45 H new ATOM 0 HD21 LEU A 21 28.016 -7.943 12.842 1.00 44.44 H new ATOM 0 HD22 LEU A 21 29.396 -8.789 12.103 1.00 44.44 H new ATOM 0 HD23 LEU A 21 27.801 -9.576 12.168 1.00 44.44 H new ATOM 314 N ARG A 22 29.657 -13.932 15.084 1.00 43.53 N ATOM 315 CA ARG A 22 30.430 -15.163 15.203 1.00 4.41 C ATOM 316 C ARG A 22 29.739 -16.152 16.138 1.00 71.23 C ATOM 317 O ARG A 22 28.897 -15.784 16.958 1.00 55.04 O ATOM 318 CB ARG A 22 31.838 -14.856 15.718 1.00 52.24 C ATOM 319 CG ARG A 22 32.844 -14.581 14.613 1.00 50.23 C ATOM 320 CD ARG A 22 34.245 -15.020 15.012 1.00 64.34 C ATOM 321 NE ARG A 22 35.188 -14.915 13.902 1.00 21.53 N ATOM 322 CZ ARG A 22 35.273 -15.808 12.922 1.00 22.52 C ATOM 323 NH1 ARG A 22 34.474 -16.865 12.913 1.00 50.32 N ATOM 324 NH2 ARG A 22 36.157 -15.642 11.947 1.00 20.03 N ATOM 0 H ARG A 22 29.342 -13.544 15.973 1.00 43.53 H new ATOM 0 HA ARG A 22 30.501 -15.615 14.214 1.00 4.41 H new ATOM 0 HB2 ARG A 22 31.793 -13.991 16.380 1.00 52.24 H new ATOM 0 HB3 ARG A 22 32.189 -15.697 16.316 1.00 52.24 H new ATOM 0 HG2 ARG A 22 32.542 -15.105 13.706 1.00 50.23 H new ATOM 0 HG3 ARG A 22 32.848 -13.516 14.380 1.00 50.23 H new ATOM 0 HD2 ARG A 22 34.594 -14.407 15.843 1.00 64.34 H new ATOM 0 HD3 ARG A 22 34.215 -16.050 15.366 1.00 64.34 H new ATOM 0 HE ARG A 22 35.816 -14.112 13.878 1.00 21.53 H new ATOM 0 HH11 ARG A 22 33.791 -16.995 13.660 1.00 50.32 H new ATOM 0 HH12 ARG A 22 34.542 -17.549 12.159 1.00 50.32 H new ATOM 0 HH21 ARG A 22 36.772 -14.828 11.949 1.00 20.03 H new ATOM 0 HH22 ARG A 22 36.222 -16.328 11.195 1.00 20.03 H new ATOM 338 N PRO A 23 30.102 -17.437 16.012 1.00 64.34 N ATOM 339 CA PRO A 23 29.530 -18.506 16.836 1.00 64.42 C ATOM 340 C PRO A 23 29.978 -18.419 18.291 1.00 33.32 C ATOM 341 O PRO A 23 29.229 -18.764 19.203 1.00 40.11 O ATOM 342 CB PRO A 23 30.067 -19.782 16.186 1.00 54.13 C ATOM 343 CG PRO A 23 31.326 -19.362 15.509 1.00 5.42 C ATOM 344 CD PRO A 23 31.099 -17.946 15.055 1.00 2.52 C ATOM 0 HA PRO A 23 28.442 -18.456 16.871 1.00 64.42 H new ATOM 0 HB2 PRO A 23 30.257 -20.556 16.930 1.00 54.13 H new ATOM 0 HB3 PRO A 23 29.353 -20.194 15.473 1.00 54.13 H new ATOM 0 HG2 PRO A 23 32.174 -19.422 16.191 1.00 5.42 H new ATOM 0 HG3 PRO A 23 31.550 -20.012 14.663 1.00 5.42 H new ATOM 0 HD2 PRO A 23 32.019 -17.362 15.084 1.00 2.52 H new ATOM 0 HD3 PRO A 23 30.729 -17.907 14.030 1.00 2.52 H new ATOM 352 N GLY A 24 31.207 -17.955 18.500 1.00 13.31 N ATOM 353 CA GLY A 24 31.734 -17.831 19.847 1.00 73.23 C ATOM 354 C GLY A 24 31.853 -16.388 20.292 1.00 53.30 C ATOM 355 O GLY A 24 32.597 -16.077 21.221 1.00 12.45 O ATOM 0 H GLY A 24 31.847 -17.663 17.761 1.00 13.31 H new ATOM 0 HA2 GLY A 24 31.085 -18.369 20.538 1.00 73.23 H new ATOM 0 HA3 GLY A 24 32.714 -18.305 19.895 1.00 73.23 H new ATOM 359 N GLY A 25 31.118 -15.502 19.626 1.00 51.41 N ATOM 360 CA GLY A 25 31.160 -14.093 19.973 1.00 34.30 C ATOM 361 C GLY A 25 29.852 -13.600 20.559 1.00 72.04 C ATOM 362 O GLY A 25 28.881 -14.353 20.651 1.00 32.41 O ATOM 0 H GLY A 25 30.495 -15.735 18.853 1.00 51.41 H new ATOM 0 HA2 GLY A 25 31.963 -13.923 20.690 1.00 34.30 H new ATOM 0 HA3 GLY A 25 31.398 -13.510 19.083 1.00 34.30 H new ATOM 366 N LYS A 26 29.823 -12.334 20.957 1.00 11.51 N ATOM 367 CA LYS A 26 28.625 -11.741 21.539 1.00 34.42 C ATOM 368 C LYS A 26 28.108 -10.598 20.670 1.00 41.42 C ATOM 369 O LYS A 26 26.911 -10.313 20.649 1.00 43.22 O ATOM 370 CB LYS A 26 28.918 -11.229 22.951 1.00 64.13 C ATOM 371 CG LYS A 26 27.697 -10.665 23.659 1.00 20.31 C ATOM 372 CD LYS A 26 27.925 -10.546 25.156 1.00 15.53 C ATOM 373 CE LYS A 26 27.883 -11.906 25.835 1.00 3.41 C ATOM 374 NZ LYS A 26 26.561 -12.169 26.468 1.00 42.34 N ATOM 0 H LYS A 26 30.617 -11.697 20.887 1.00 11.51 H new ATOM 0 HA LYS A 26 27.857 -12.512 21.591 1.00 34.42 H new ATOM 0 HB2 LYS A 26 29.328 -12.045 23.546 1.00 64.13 H new ATOM 0 HB3 LYS A 26 29.685 -10.457 22.897 1.00 64.13 H new ATOM 0 HG2 LYS A 26 27.458 -9.684 23.248 1.00 20.31 H new ATOM 0 HG3 LYS A 26 26.837 -11.308 23.471 1.00 20.31 H new ATOM 0 HD2 LYS A 26 28.890 -10.075 25.342 1.00 15.53 H new ATOM 0 HD3 LYS A 26 27.165 -9.897 25.591 1.00 15.53 H new ATOM 0 HE2 LYS A 26 28.096 -12.684 25.102 1.00 3.41 H new ATOM 0 HE3 LYS A 26 28.665 -11.958 26.592 1.00 3.41 H new ATOM 0 HZ1 LYS A 26 26.573 -13.106 26.920 1.00 42.34 H new ATOM 0 HZ2 LYS A 26 26.368 -11.441 27.185 1.00 42.34 H new ATOM 0 HZ3 LYS A 26 25.817 -12.145 25.741 1.00 42.34 H new ATOM 388 N LYS A 27 29.018 -9.949 19.952 1.00 24.44 N ATOM 389 CA LYS A 27 28.654 -8.838 19.079 1.00 63.34 C ATOM 390 C LYS A 27 27.520 -9.235 18.139 1.00 30.31 C ATOM 391 O LYS A 27 27.709 -10.045 17.232 1.00 33.33 O ATOM 392 CB LYS A 27 29.868 -8.382 18.267 1.00 34.41 C ATOM 393 CG LYS A 27 29.790 -6.933 17.819 1.00 75.03 C ATOM 394 CD LYS A 27 31.082 -6.484 17.157 1.00 12.04 C ATOM 395 CE LYS A 27 30.970 -5.066 16.619 1.00 51.24 C ATOM 396 NZ LYS A 27 31.358 -4.986 15.183 1.00 33.43 N ATOM 0 H LYS A 27 30.013 -10.173 19.957 1.00 24.44 H new ATOM 0 HA LYS A 27 28.313 -8.013 19.704 1.00 63.34 H new ATOM 0 HB2 LYS A 27 30.768 -8.520 18.866 1.00 34.41 H new ATOM 0 HB3 LYS A 27 29.968 -9.020 17.389 1.00 34.41 H new ATOM 0 HG2 LYS A 27 28.961 -6.811 17.122 1.00 75.03 H new ATOM 0 HG3 LYS A 27 29.580 -6.296 18.678 1.00 75.03 H new ATOM 0 HD2 LYS A 27 31.899 -6.537 17.877 1.00 12.04 H new ATOM 0 HD3 LYS A 27 31.330 -7.165 16.343 1.00 12.04 H new ATOM 0 HE2 LYS A 27 29.946 -4.712 16.739 1.00 51.24 H new ATOM 0 HE3 LYS A 27 31.607 -4.404 17.205 1.00 51.24 H new ATOM 0 HZ1 LYS A 27 31.268 -4.004 14.853 1.00 33.43 H new ATOM 0 HZ2 LYS A 27 32.343 -5.300 15.072 1.00 33.43 H new ATOM 0 HZ3 LYS A 27 30.734 -5.598 14.620 1.00 33.43 H new ATOM 410 N GLN A 28 26.344 -8.658 18.361 1.00 52.23 N ATOM 411 CA GLN A 28 25.180 -8.952 17.533 1.00 71.32 C ATOM 412 C GLN A 28 25.206 -8.129 16.248 1.00 43.33 C ATOM 413 O GLN A 28 26.133 -7.354 16.014 1.00 64.12 O ATOM 414 CB GLN A 28 23.892 -8.671 18.307 1.00 24.33 C ATOM 415 CG GLN A 28 23.905 -9.214 19.727 1.00 62.33 C ATOM 416 CD GLN A 28 24.175 -8.138 20.760 1.00 4.14 C ATOM 417 OE1 GLN A 28 24.857 -7.151 20.483 1.00 74.03 O ATOM 418 NE2 GLN A 28 23.641 -8.322 21.962 1.00 51.54 N ATOM 0 H GLN A 28 26.172 -7.984 19.107 1.00 52.23 H new ATOM 0 HA GLN A 28 25.211 -10.009 17.268 1.00 71.32 H new ATOM 0 HB2 GLN A 28 23.725 -7.594 18.340 1.00 24.33 H new ATOM 0 HB3 GLN A 28 23.051 -9.107 17.768 1.00 24.33 H new ATOM 0 HG2 GLN A 28 22.946 -9.685 19.941 1.00 62.33 H new ATOM 0 HG3 GLN A 28 24.666 -9.990 19.808 1.00 62.33 H new ATOM 0 HE21 GLN A 28 23.082 -9.154 22.150 1.00 51.54 H new ATOM 0 HE22 GLN A 28 23.790 -7.631 22.697 1.00 51.54 H new ATOM 427 N TYR A 29 24.181 -8.305 15.420 1.00 12.13 N ATOM 428 CA TYR A 29 24.088 -7.581 14.158 1.00 71.52 C ATOM 429 C TYR A 29 23.286 -6.294 14.326 1.00 1.41 C ATOM 430 O TYR A 29 22.343 -6.234 15.116 1.00 52.30 O ATOM 431 CB TYR A 29 23.441 -8.461 13.087 1.00 2.43 C ATOM 432 CG TYR A 29 24.436 -9.264 12.281 1.00 13.34 C ATOM 433 CD1 TYR A 29 25.229 -8.657 11.314 1.00 1.13 C ATOM 434 CD2 TYR A 29 24.585 -10.630 12.485 1.00 53.41 C ATOM 435 CE1 TYR A 29 26.140 -9.386 10.575 1.00 63.11 C ATOM 436 CE2 TYR A 29 25.494 -11.367 11.752 1.00 54.32 C ATOM 437 CZ TYR A 29 26.269 -10.742 10.798 1.00 63.43 C ATOM 438 OH TYR A 29 27.174 -11.473 10.064 1.00 34.21 O ATOM 0 H TYR A 29 23.405 -8.942 15.600 1.00 12.13 H new ATOM 0 HA TYR A 29 25.098 -7.320 13.843 1.00 71.52 H new ATOM 0 HB2 TYR A 29 22.738 -9.144 13.565 1.00 2.43 H new ATOM 0 HB3 TYR A 29 22.863 -7.831 12.411 1.00 2.43 H new ATOM 0 HD1 TYR A 29 25.131 -7.596 11.137 1.00 1.13 H new ATOM 0 HD2 TYR A 29 23.979 -11.124 13.230 1.00 53.41 H new ATOM 0 HE1 TYR A 29 26.748 -8.898 9.827 1.00 63.11 H new ATOM 0 HE2 TYR A 29 25.597 -12.428 11.925 1.00 54.32 H new ATOM 0 HH TYR A 29 27.353 -12.323 10.518 1.00 34.21 H new ATOM 448 N LYS A 30 23.666 -5.265 13.578 1.00 73.44 N ATOM 449 CA LYS A 30 22.984 -3.978 13.640 1.00 64.32 C ATOM 450 C LYS A 30 22.785 -3.398 12.242 1.00 43.32 C ATOM 451 O LYS A 30 23.334 -3.908 11.265 1.00 34.35 O ATOM 452 CB LYS A 30 23.781 -2.996 14.502 1.00 65.03 C ATOM 453 CG LYS A 30 22.999 -2.456 15.688 1.00 55.04 C ATOM 454 CD LYS A 30 23.441 -1.049 16.053 1.00 21.50 C ATOM 455 CE LYS A 30 22.527 -0.001 15.435 1.00 10.55 C ATOM 456 NZ LYS A 30 21.288 0.196 16.238 1.00 50.35 N ATOM 0 H LYS A 30 24.445 -5.297 12.920 1.00 73.44 H new ATOM 0 HA LYS A 30 22.004 -4.136 14.091 1.00 64.32 H new ATOM 0 HB2 LYS A 30 24.681 -3.492 14.866 1.00 65.03 H new ATOM 0 HB3 LYS A 30 24.106 -2.161 13.881 1.00 65.03 H new ATOM 0 HG2 LYS A 30 21.935 -2.455 15.453 1.00 55.04 H new ATOM 0 HG3 LYS A 30 23.135 -3.115 16.545 1.00 55.04 H new ATOM 0 HD2 LYS A 30 23.444 -0.937 17.137 1.00 21.50 H new ATOM 0 HD3 LYS A 30 24.464 -0.888 15.713 1.00 21.50 H new ATOM 0 HE2 LYS A 30 23.062 0.945 15.354 1.00 10.55 H new ATOM 0 HE3 LYS A 30 22.260 -0.304 14.423 1.00 10.55 H new ATOM 0 HZ1 LYS A 30 20.691 0.917 15.785 1.00 50.35 H new ATOM 0 HZ2 LYS A 30 20.764 -0.701 16.294 1.00 50.35 H new ATOM 0 HZ3 LYS A 30 21.542 0.509 17.197 1.00 50.35 H new ATOM 470 N LEU A 31 21.998 -2.332 12.156 1.00 21.33 N ATOM 471 CA LEU A 31 21.729 -1.682 10.878 1.00 45.12 C ATOM 472 C LEU A 31 23.025 -1.231 10.212 1.00 22.05 C ATOM 473 O LEU A 31 23.135 -1.219 8.986 1.00 72.32 O ATOM 474 CB LEU A 31 20.800 -0.482 11.079 1.00 15.32 C ATOM 475 CG LEU A 31 19.395 -0.616 10.494 1.00 64.34 C ATOM 476 CD1 LEU A 31 19.460 -0.834 8.991 1.00 72.51 C ATOM 477 CD2 LEU A 31 18.643 -1.756 11.167 1.00 51.21 C ATOM 0 H LEU A 31 21.535 -1.899 12.955 1.00 21.33 H new ATOM 0 HA LEU A 31 21.241 -2.406 10.226 1.00 45.12 H new ATOM 0 HB2 LEU A 31 20.710 -0.293 12.149 1.00 15.32 H new ATOM 0 HB3 LEU A 31 21.273 0.396 10.639 1.00 15.32 H new ATOM 0 HG LEU A 31 18.855 0.312 10.683 1.00 64.34 H new ATOM 0 HD11 LEU A 31 18.450 -0.927 8.593 1.00 72.51 H new ATOM 0 HD12 LEU A 31 19.958 0.014 8.522 1.00 72.51 H new ATOM 0 HD13 LEU A 31 20.019 -1.746 8.779 1.00 72.51 H new ATOM 0 HD21 LEU A 31 17.644 -1.837 10.738 1.00 51.21 H new ATOM 0 HD22 LEU A 31 19.182 -2.690 11.010 1.00 51.21 H new ATOM 0 HD23 LEU A 31 18.564 -1.558 12.236 1.00 51.21 H new ATOM 489 N LYS A 32 24.006 -0.861 11.029 1.00 51.32 N ATOM 490 CA LYS A 32 25.296 -0.412 10.521 1.00 13.25 C ATOM 491 C LYS A 32 25.871 -1.419 9.530 1.00 33.43 C ATOM 492 O LYS A 32 26.480 -1.040 8.528 1.00 14.30 O ATOM 493 CB LYS A 32 26.277 -0.202 11.676 1.00 1.25 C ATOM 494 CG LYS A 32 26.107 1.131 12.384 1.00 11.02 C ATOM 495 CD LYS A 32 27.419 1.893 12.462 1.00 13.32 C ATOM 496 CE LYS A 32 27.219 3.293 13.025 1.00 40.34 C ATOM 497 NZ LYS A 32 28.210 3.608 14.091 1.00 43.01 N ATOM 0 H LYS A 32 23.931 -0.864 12.046 1.00 51.32 H new ATOM 0 HA LYS A 32 25.144 0.535 10.004 1.00 13.25 H new ATOM 0 HB2 LYS A 32 26.151 -1.007 12.400 1.00 1.25 H new ATOM 0 HB3 LYS A 32 27.295 -0.274 11.294 1.00 1.25 H new ATOM 0 HG2 LYS A 32 25.367 1.732 11.856 1.00 11.02 H new ATOM 0 HG3 LYS A 32 25.722 0.963 13.390 1.00 11.02 H new ATOM 0 HD2 LYS A 32 28.122 1.345 13.089 1.00 13.32 H new ATOM 0 HD3 LYS A 32 27.862 1.959 11.468 1.00 13.32 H new ATOM 0 HE2 LYS A 32 27.306 4.024 12.221 1.00 40.34 H new ATOM 0 HE3 LYS A 32 26.210 3.382 13.429 1.00 40.34 H new ATOM 0 HZ1 LYS A 32 28.041 4.570 14.449 1.00 43.01 H new ATOM 0 HZ2 LYS A 32 28.111 2.926 14.870 1.00 43.01 H new ATOM 0 HZ3 LYS A 32 29.172 3.548 13.700 1.00 43.01 H new ATOM 511 N HIS A 33 25.672 -2.702 9.814 1.00 54.30 N ATOM 512 CA HIS A 33 26.169 -3.763 8.945 1.00 54.44 C ATOM 513 C HIS A 33 25.308 -3.886 7.692 1.00 73.33 C ATOM 514 O HIS A 33 25.886 -4.126 6.631 1.00 31.31 O ATOM 515 CB HIS A 33 26.190 -5.097 9.694 1.00 1.41 C ATOM 516 CG HIS A 33 26.791 -5.004 11.063 1.00 53.41 C ATOM 517 ND1 HIS A 33 26.235 -5.606 12.172 1.00 22.41 N ATOM 518 CD2 HIS A 33 27.908 -4.377 11.499 1.00 24.34 C ATOM 519 CE1 HIS A 33 26.983 -5.352 13.231 1.00 20.52 C ATOM 520 NE2 HIS A 33 28.005 -4.608 12.849 1.00 34.43 N ATOM 0 H HIS A 33 25.170 -3.032 10.639 1.00 54.30 H new ATOM 0 HA HIS A 33 27.185 -3.506 8.644 1.00 54.44 H new ATOM 0 HB2 HIS A 33 25.171 -5.473 9.778 1.00 1.41 H new ATOM 0 HB3 HIS A 33 26.751 -5.825 9.108 1.00 1.41 H new ATOM 0 HD2 HIS A 33 28.596 -3.802 10.897 1.00 24.34 H new ATOM 0 HE1 HIS A 33 26.791 -5.694 14.237 1.00 20.52 H new ATOM 0 HE2 HIS A 33 28.746 -4.261 13.458 1.00 34.43 H new ATOM 528 N ILE A 34 23.991 -3.734 7.780 1.00 3.44 N ATOM 529 CA ILE A 34 23.130 -3.841 6.609 1.00 1.33 C ATOM 530 C ILE A 34 23.461 -2.763 5.583 1.00 55.20 C ATOM 531 O ILE A 34 23.419 -3.006 4.376 1.00 0.23 O ATOM 532 CB ILE A 34 21.642 -3.728 6.993 1.00 71.13 C ATOM 533 CG1 ILE A 34 21.299 -4.734 8.094 1.00 13.34 C ATOM 534 CG2 ILE A 34 20.762 -3.950 5.772 1.00 41.44 C ATOM 535 CD1 ILE A 34 19.870 -4.634 8.579 1.00 52.23 C ATOM 0 H ILE A 34 23.497 -3.536 8.650 1.00 3.44 H new ATOM 0 HA ILE A 34 23.311 -4.823 6.172 1.00 1.33 H new ATOM 0 HB ILE A 34 21.455 -2.724 7.374 1.00 71.13 H new ATOM 0 HG12 ILE A 34 21.478 -5.743 7.722 1.00 13.34 H new ATOM 0 HG13 ILE A 34 21.972 -4.581 8.938 1.00 13.34 H new ATOM 0 HG21 ILE A 34 19.714 -3.867 6.059 1.00 41.44 H new ATOM 0 HG22 ILE A 34 20.992 -3.199 5.016 1.00 41.44 H new ATOM 0 HG23 ILE A 34 20.949 -4.943 5.364 1.00 41.44 H new ATOM 0 HD11 ILE A 34 19.698 -5.376 9.358 1.00 52.23 H new ATOM 0 HD12 ILE A 34 19.691 -3.637 8.981 1.00 52.23 H new ATOM 0 HD13 ILE A 34 19.190 -4.817 7.747 1.00 52.23 H new ATOM 547 N VAL A 35 23.793 -1.572 6.069 1.00 31.13 N ATOM 548 CA VAL A 35 24.135 -0.457 5.195 1.00 72.33 C ATOM 549 C VAL A 35 25.570 -0.574 4.691 1.00 63.15 C ATOM 550 O VAL A 35 25.862 -0.246 3.541 1.00 32.23 O ATOM 551 CB VAL A 35 23.964 0.894 5.913 1.00 25.12 C ATOM 552 CG1 VAL A 35 24.359 2.042 4.995 1.00 3.54 C ATOM 553 CG2 VAL A 35 22.533 1.060 6.402 1.00 43.54 C ATOM 0 H VAL A 35 23.832 -1.354 7.065 1.00 31.13 H new ATOM 0 HA VAL A 35 23.450 -0.498 4.348 1.00 72.33 H new ATOM 0 HB VAL A 35 24.625 0.910 6.780 1.00 25.12 H new ATOM 0 HG11 VAL A 35 24.231 2.988 5.520 1.00 3.54 H new ATOM 0 HG12 VAL A 35 25.402 1.929 4.699 1.00 3.54 H new ATOM 0 HG13 VAL A 35 23.727 2.032 4.107 1.00 3.54 H new ATOM 0 HG21 VAL A 35 22.430 2.020 6.907 1.00 43.54 H new ATOM 0 HG22 VAL A 35 21.851 1.022 5.552 1.00 43.54 H new ATOM 0 HG23 VAL A 35 22.291 0.257 7.098 1.00 43.54 H new ATOM 563 N TRP A 36 26.458 -1.044 5.558 1.00 21.13 N ATOM 564 CA TRP A 36 27.863 -1.205 5.200 1.00 21.12 C ATOM 565 C TRP A 36 28.012 -2.066 3.951 1.00 22.20 C ATOM 566 O TRP A 36 28.920 -1.858 3.148 1.00 35.55 O ATOM 567 CB TRP A 36 28.638 -1.832 6.361 1.00 64.33 C ATOM 568 CG TRP A 36 30.051 -2.186 6.009 1.00 4.52 C ATOM 569 CD1 TRP A 36 31.174 -1.467 6.306 1.00 54.44 C ATOM 570 CD2 TRP A 36 30.490 -3.346 5.295 1.00 14.30 C ATOM 571 NE1 TRP A 36 32.286 -2.111 5.817 1.00 63.02 N ATOM 572 CE2 TRP A 36 31.894 -3.266 5.194 1.00 43.45 C ATOM 573 CE3 TRP A 36 29.836 -4.446 4.732 1.00 35.52 C ATOM 574 CZ2 TRP A 36 32.650 -4.243 4.552 1.00 11.05 C ATOM 575 CZ3 TRP A 36 30.589 -5.414 4.095 1.00 61.43 C ATOM 576 CH2 TRP A 36 31.984 -5.308 4.010 1.00 61.10 C ATOM 0 H TRP A 36 26.231 -1.320 6.513 1.00 21.13 H new ATOM 0 HA TRP A 36 28.273 -0.217 4.989 1.00 21.12 H new ATOM 0 HB2 TRP A 36 28.643 -1.138 7.202 1.00 64.33 H new ATOM 0 HB3 TRP A 36 28.118 -2.731 6.693 1.00 64.33 H new ATOM 0 HD1 TRP A 36 31.186 -0.531 6.845 1.00 54.44 H new ATOM 0 HE1 TRP A 36 33.247 -1.782 5.904 1.00 63.02 H new ATOM 0 HE3 TRP A 36 28.762 -4.538 4.794 1.00 35.52 H new ATOM 0 HZ2 TRP A 36 33.725 -4.163 4.484 1.00 11.05 H new ATOM 0 HZ3 TRP A 36 30.094 -6.267 3.655 1.00 61.43 H new ATOM 0 HH2 TRP A 36 32.544 -6.082 3.507 1.00 61.10 H new ATOM 587 N ALA A 37 27.113 -3.032 3.792 1.00 5.12 N ATOM 588 CA ALA A 37 27.144 -3.922 2.639 1.00 61.31 C ATOM 589 C ALA A 37 26.540 -3.249 1.410 1.00 14.24 C ATOM 590 O ALA A 37 27.060 -3.379 0.301 1.00 54.41 O ATOM 591 CB ALA A 37 26.405 -5.214 2.950 1.00 53.40 C ATOM 0 H ALA A 37 26.354 -3.218 4.448 1.00 5.12 H new ATOM 0 HA ALA A 37 28.186 -4.155 2.419 1.00 61.31 H new ATOM 0 HB1 ALA A 37 26.436 -5.870 2.080 1.00 53.40 H new ATOM 0 HB2 ALA A 37 26.881 -5.711 3.796 1.00 53.40 H new ATOM 0 HB3 ALA A 37 25.368 -4.989 3.198 1.00 53.40 H new ATOM 597 N SER A 38 25.442 -2.529 1.614 1.00 21.53 N ATOM 598 CA SER A 38 24.767 -1.839 0.521 1.00 63.03 C ATOM 599 C SER A 38 25.717 -0.877 -0.184 1.00 24.04 C ATOM 600 O SER A 38 25.743 -0.801 -1.412 1.00 61.23 O ATOM 601 CB SER A 38 23.548 -1.077 1.047 1.00 13.32 C ATOM 602 OG SER A 38 22.374 -1.865 0.953 1.00 0.12 O ATOM 0 H SER A 38 25.001 -2.408 2.526 1.00 21.53 H new ATOM 0 HA SER A 38 24.436 -2.587 -0.199 1.00 63.03 H new ATOM 0 HB2 SER A 38 23.715 -0.790 2.085 1.00 13.32 H new ATOM 0 HB3 SER A 38 23.418 -0.156 0.479 1.00 13.32 H new ATOM 0 HG SER A 38 21.610 -1.356 1.297 1.00 0.12 H new ATOM 608 N ARG A 39 26.497 -0.142 0.603 1.00 61.23 N ATOM 609 CA ARG A 39 27.449 0.817 0.054 1.00 4.35 C ATOM 610 C ARG A 39 28.478 0.117 -0.828 1.00 21.12 C ATOM 611 O ARG A 39 29.045 0.725 -1.735 1.00 40.04 O ATOM 612 CB ARG A 39 28.156 1.567 1.185 1.00 32.23 C ATOM 613 CG ARG A 39 27.724 3.019 1.316 1.00 53.21 C ATOM 614 CD ARG A 39 28.236 3.637 2.607 1.00 4.41 C ATOM 615 NE ARG A 39 27.263 4.552 3.199 1.00 30.42 N ATOM 616 CZ ARG A 39 27.291 4.931 4.472 1.00 21.13 C ATOM 617 NH1 ARG A 39 28.236 4.477 5.283 1.00 74.12 N ATOM 618 NH2 ARG A 39 26.371 5.767 4.937 1.00 22.00 N ATOM 0 H ARG A 39 26.488 -0.192 1.622 1.00 61.23 H new ATOM 0 HA ARG A 39 26.898 1.531 -0.558 1.00 4.35 H new ATOM 0 HB2 ARG A 39 27.963 1.053 2.127 1.00 32.23 H new ATOM 0 HB3 ARG A 39 29.232 1.531 1.017 1.00 32.23 H new ATOM 0 HG2 ARG A 39 28.097 3.589 0.465 1.00 53.21 H new ATOM 0 HG3 ARG A 39 26.636 3.080 1.288 1.00 53.21 H new ATOM 0 HD2 ARG A 39 28.470 2.846 3.320 1.00 4.41 H new ATOM 0 HD3 ARG A 39 29.164 4.173 2.409 1.00 4.41 H new ATOM 0 HE ARG A 39 26.522 4.920 2.602 1.00 30.42 H new ATOM 0 HH11 ARG A 39 28.945 3.834 4.930 1.00 74.12 H new ATOM 0 HH12 ARG A 39 28.254 4.770 6.260 1.00 74.12 H new ATOM 0 HH21 ARG A 39 25.642 6.119 4.317 1.00 22.00 H new ATOM 0 HH22 ARG A 39 26.393 6.057 5.915 1.00 22.00 H new ATOM 632 N GLU A 40 28.713 -1.162 -0.555 1.00 63.52 N ATOM 633 CA GLU A 40 29.674 -1.943 -1.325 1.00 22.31 C ATOM 634 C GLU A 40 29.021 -2.539 -2.568 1.00 62.43 C ATOM 635 O GLU A 40 29.669 -2.718 -3.599 1.00 34.41 O ATOM 636 CB GLU A 40 30.267 -3.058 -0.462 1.00 51.44 C ATOM 637 CG GLU A 40 31.662 -3.483 -0.889 1.00 63.21 C ATOM 638 CD GLU A 40 32.705 -3.217 0.179 1.00 52.15 C ATOM 639 OE1 GLU A 40 32.453 -3.561 1.353 1.00 12.24 O ATOM 640 OE2 GLU A 40 33.773 -2.667 -0.160 1.00 20.41 O ATOM 0 H GLU A 40 28.252 -1.679 0.193 1.00 63.52 H new ATOM 0 HA GLU A 40 30.474 -1.275 -1.642 1.00 22.31 H new ATOM 0 HB2 GLU A 40 30.300 -2.724 0.575 1.00 51.44 H new ATOM 0 HB3 GLU A 40 29.606 -3.924 -0.498 1.00 51.44 H new ATOM 0 HG2 GLU A 40 31.656 -4.546 -1.129 1.00 63.21 H new ATOM 0 HG3 GLU A 40 31.937 -2.952 -1.800 1.00 63.21 H new ATOM 647 N LEU A 41 27.732 -2.846 -2.462 1.00 51.13 N ATOM 648 CA LEU A 41 26.989 -3.424 -3.577 1.00 23.12 C ATOM 649 C LEU A 41 26.947 -2.461 -4.759 1.00 54.21 C ATOM 650 O LEU A 41 27.199 -2.853 -5.898 1.00 61.11 O ATOM 651 CB LEU A 41 25.565 -3.774 -3.139 1.00 55.31 C ATOM 652 CG LEU A 41 25.368 -5.174 -2.558 1.00 51.44 C ATOM 653 CD1 LEU A 41 23.979 -5.311 -1.955 1.00 61.52 C ATOM 654 CD2 LEU A 41 25.593 -6.232 -3.629 1.00 2.20 C ATOM 0 H LEU A 41 27.180 -2.704 -1.616 1.00 51.13 H new ATOM 0 HA LEU A 41 27.500 -4.334 -3.891 1.00 23.12 H new ATOM 0 HB2 LEU A 41 25.246 -3.045 -2.394 1.00 55.31 H new ATOM 0 HB3 LEU A 41 24.904 -3.662 -3.998 1.00 55.31 H new ATOM 0 HG LEU A 41 26.102 -5.325 -1.766 1.00 51.44 H new ATOM 0 HD11 LEU A 41 23.857 -6.314 -1.546 1.00 61.52 H new ATOM 0 HD12 LEU A 41 23.854 -4.577 -1.159 1.00 61.52 H new ATOM 0 HD13 LEU A 41 23.229 -5.140 -2.727 1.00 61.52 H new ATOM 0 HD21 LEU A 41 25.449 -7.223 -3.198 1.00 2.20 H new ATOM 0 HD22 LEU A 41 24.883 -6.083 -4.442 1.00 2.20 H new ATOM 0 HD23 LEU A 41 26.609 -6.149 -4.015 1.00 2.20 H new ATOM 666 N GLU A 42 26.629 -1.202 -4.480 1.00 71.31 N ATOM 667 CA GLU A 42 26.556 -0.184 -5.522 1.00 61.14 C ATOM 668 C GLU A 42 27.870 -0.100 -6.293 1.00 72.34 C ATOM 669 O GLU A 42 27.895 0.311 -7.455 1.00 1.44 O ATOM 670 CB GLU A 42 26.222 1.179 -4.912 1.00 33.54 C ATOM 671 CG GLU A 42 24.812 1.655 -5.218 1.00 54.33 C ATOM 672 CD GLU A 42 24.782 2.773 -6.242 1.00 11.21 C ATOM 673 OE1 GLU A 42 25.646 3.672 -6.164 1.00 71.32 O ATOM 674 OE2 GLU A 42 23.895 2.748 -7.120 1.00 21.52 O ATOM 0 H GLU A 42 26.418 -0.862 -3.542 1.00 71.31 H new ATOM 0 HA GLU A 42 25.765 -0.467 -6.216 1.00 61.14 H new ATOM 0 HB2 GLU A 42 26.351 1.125 -3.831 1.00 33.54 H new ATOM 0 HB3 GLU A 42 26.934 1.917 -5.282 1.00 33.54 H new ATOM 0 HG2 GLU A 42 24.221 0.816 -5.585 1.00 54.33 H new ATOM 0 HG3 GLU A 42 24.341 1.998 -4.297 1.00 54.33 H new ATOM 681 N ARG A 43 28.959 -0.492 -5.641 1.00 2.30 N ATOM 682 CA ARG A 43 30.276 -0.461 -6.264 1.00 21.32 C ATOM 683 C ARG A 43 30.430 -1.599 -7.269 1.00 24.41 C ATOM 684 O ARG A 43 31.202 -1.499 -8.223 1.00 30.11 O ATOM 685 CB ARG A 43 31.371 -0.555 -5.200 1.00 45.44 C ATOM 686 CG ARG A 43 32.693 0.060 -5.629 1.00 5.24 C ATOM 687 CD ARG A 43 32.832 1.488 -5.123 1.00 74.51 C ATOM 688 NE ARG A 43 32.978 1.544 -3.672 1.00 14.54 N ATOM 689 CZ ARG A 43 33.350 2.635 -3.012 1.00 75.22 C ATOM 690 NH1 ARG A 43 33.612 3.755 -3.672 1.00 22.32 N ATOM 691 NH2 ARG A 43 33.462 2.607 -1.691 1.00 22.24 N ATOM 0 H ARG A 43 28.955 -0.835 -4.680 1.00 2.30 H new ATOM 0 HA ARG A 43 30.375 0.486 -6.795 1.00 21.32 H new ATOM 0 HB2 ARG A 43 31.027 -0.059 -4.292 1.00 45.44 H new ATOM 0 HB3 ARG A 43 31.532 -1.603 -4.949 1.00 45.44 H new ATOM 0 HG2 ARG A 43 33.517 -0.544 -5.249 1.00 5.24 H new ATOM 0 HG3 ARG A 43 32.765 0.049 -6.717 1.00 5.24 H new ATOM 0 HD2 ARG A 43 33.697 1.956 -5.592 1.00 74.51 H new ATOM 0 HD3 ARG A 43 31.957 2.065 -5.421 1.00 74.51 H new ATOM 0 HE ARG A 43 32.784 0.699 -3.135 1.00 14.54 H new ATOM 0 HH11 ARG A 43 33.528 3.780 -4.688 1.00 22.32 H new ATOM 0 HH12 ARG A 43 33.898 4.592 -3.163 1.00 22.32 H new ATOM 0 HH21 ARG A 43 33.262 1.747 -1.180 1.00 22.24 H new ATOM 0 HH22 ARG A 43 33.748 3.446 -1.186 1.00 22.24 H new ATOM 705 N PHE A 44 29.690 -2.680 -7.048 1.00 21.00 N ATOM 706 CA PHE A 44 29.746 -3.838 -7.933 1.00 61.21 C ATOM 707 C PHE A 44 28.624 -3.786 -8.966 1.00 73.22 C ATOM 708 O PHE A 44 28.182 -4.819 -9.470 1.00 2.11 O ATOM 709 CB PHE A 44 29.648 -5.132 -7.122 1.00 0.33 C ATOM 710 CG PHE A 44 30.919 -5.488 -6.405 1.00 75.31 C ATOM 711 CD1 PHE A 44 32.059 -5.823 -7.118 1.00 55.42 C ATOM 712 CD2 PHE A 44 30.974 -5.486 -5.021 1.00 52.04 C ATOM 713 CE1 PHE A 44 33.231 -6.152 -6.461 1.00 63.24 C ATOM 714 CE2 PHE A 44 32.143 -5.814 -4.360 1.00 3.42 C ATOM 715 CZ PHE A 44 33.272 -6.147 -5.080 1.00 32.32 C ATOM 0 H PHE A 44 29.045 -2.779 -6.264 1.00 21.00 H new ATOM 0 HA PHE A 44 30.701 -3.818 -8.457 1.00 61.21 H new ATOM 0 HB2 PHE A 44 28.844 -5.034 -6.393 1.00 0.33 H new ATOM 0 HB3 PHE A 44 29.375 -5.950 -7.789 1.00 0.33 H new ATOM 0 HD1 PHE A 44 32.032 -5.827 -8.198 1.00 55.42 H new ATOM 0 HD2 PHE A 44 30.094 -5.225 -4.452 1.00 52.04 H new ATOM 0 HE1 PHE A 44 34.113 -6.413 -7.027 1.00 63.24 H new ATOM 0 HE2 PHE A 44 32.173 -5.810 -3.280 1.00 3.42 H new ATOM 0 HZ PHE A 44 34.186 -6.403 -4.565 1.00 32.32 H new ATOM 725 N ALA A 45 28.169 -2.577 -9.277 1.00 2.11 N ATOM 726 CA ALA A 45 27.101 -2.390 -10.251 1.00 30.35 C ATOM 727 C ALA A 45 25.801 -3.025 -9.769 1.00 24.35 C ATOM 728 O ALA A 45 24.916 -3.335 -10.567 1.00 11.43 O ATOM 729 CB ALA A 45 27.506 -2.971 -11.598 1.00 2.42 C ATOM 0 H ALA A 45 28.523 -1.712 -8.868 1.00 2.11 H new ATOM 0 HA ALA A 45 26.932 -1.319 -10.366 1.00 30.35 H new ATOM 0 HB1 ALA A 45 26.699 -2.824 -12.315 1.00 2.42 H new ATOM 0 HB2 ALA A 45 28.405 -2.469 -11.955 1.00 2.42 H new ATOM 0 HB3 ALA A 45 27.705 -4.037 -11.489 1.00 2.42 H new ATOM 735 N VAL A 46 25.691 -3.214 -8.458 1.00 41.13 N ATOM 736 CA VAL A 46 24.498 -3.812 -7.869 1.00 20.13 C ATOM 737 C VAL A 46 23.813 -2.842 -6.913 1.00 5.12 C ATOM 738 O VAL A 46 24.435 -2.325 -5.985 1.00 32.42 O ATOM 739 CB VAL A 46 24.836 -5.110 -7.111 1.00 33.25 C ATOM 740 CG1 VAL A 46 23.587 -5.693 -6.469 1.00 74.25 C ATOM 741 CG2 VAL A 46 25.487 -6.117 -8.046 1.00 71.54 C ATOM 0 H VAL A 46 26.413 -2.962 -7.783 1.00 41.13 H new ATOM 0 HA VAL A 46 23.822 -4.046 -8.691 1.00 20.13 H new ATOM 0 HB VAL A 46 25.546 -4.875 -6.318 1.00 33.25 H new ATOM 0 HG11 VAL A 46 23.845 -6.609 -5.938 1.00 74.25 H new ATOM 0 HG12 VAL A 46 23.169 -4.972 -5.767 1.00 74.25 H new ATOM 0 HG13 VAL A 46 22.851 -5.916 -7.242 1.00 74.25 H new ATOM 0 HG21 VAL A 46 25.719 -7.028 -7.495 1.00 71.54 H new ATOM 0 HG22 VAL A 46 24.803 -6.351 -8.862 1.00 71.54 H new ATOM 0 HG23 VAL A 46 26.406 -5.695 -8.453 1.00 71.54 H new ATOM 751 N ASN A 47 22.527 -2.600 -7.145 1.00 25.53 N ATOM 752 CA ASN A 47 21.757 -1.691 -6.304 1.00 24.41 C ATOM 753 C ASN A 47 21.542 -2.286 -4.916 1.00 64.00 C ATOM 754 O ASN A 47 21.334 -3.488 -4.754 1.00 42.40 O ATOM 755 CB ASN A 47 20.406 -1.383 -6.955 1.00 3.45 C ATOM 756 CG ASN A 47 20.495 -0.263 -7.971 1.00 35.41 C ATOM 757 OD1 ASN A 47 20.097 0.871 -7.700 1.00 35.02 O ATOM 758 ND2 ASN A 47 21.021 -0.575 -9.150 1.00 72.12 N ATOM 0 H ASN A 47 21.996 -3.020 -7.908 1.00 25.53 H new ATOM 0 HA ASN A 47 22.322 -0.765 -6.199 1.00 24.41 H new ATOM 0 HB2 ASN A 47 20.027 -2.282 -7.442 1.00 3.45 H new ATOM 0 HB3 ASN A 47 19.687 -1.112 -6.182 1.00 3.45 H new ATOM 0 HD21 ASN A 47 21.108 0.138 -9.874 1.00 72.12 H new ATOM 0 HD22 ASN A 47 21.338 -1.527 -9.331 1.00 72.12 H new ATOM 765 N PRO A 48 21.590 -1.425 -3.889 1.00 32.35 N ATOM 766 CA PRO A 48 21.402 -1.841 -2.495 1.00 73.32 C ATOM 767 C PRO A 48 19.965 -2.257 -2.205 1.00 42.24 C ATOM 768 O PRO A 48 19.666 -2.781 -1.132 1.00 62.45 O ATOM 769 CB PRO A 48 21.768 -0.586 -1.697 1.00 73.43 C ATOM 770 CG PRO A 48 21.516 0.544 -2.634 1.00 24.23 C ATOM 771 CD PRO A 48 21.833 0.023 -4.009 1.00 22.13 C ATOM 0 HA PRO A 48 22.007 -2.713 -2.244 1.00 73.32 H new ATOM 0 HB2 PRO A 48 21.160 -0.497 -0.797 1.00 73.43 H new ATOM 0 HB3 PRO A 48 22.810 -0.610 -1.377 1.00 73.43 H new ATOM 0 HG2 PRO A 48 20.480 0.878 -2.573 1.00 24.23 H new ATOM 0 HG3 PRO A 48 22.142 1.402 -2.388 1.00 24.23 H new ATOM 0 HD2 PRO A 48 21.195 0.476 -4.768 1.00 22.13 H new ATOM 0 HD3 PRO A 48 22.864 0.236 -4.292 1.00 22.13 H new ATOM 779 N GLY A 49 19.078 -2.021 -3.167 1.00 52.44 N ATOM 780 CA GLY A 49 17.682 -2.379 -2.994 1.00 11.04 C ATOM 781 C GLY A 49 17.414 -3.837 -3.310 1.00 11.33 C ATOM 782 O GLY A 49 16.261 -4.254 -3.421 1.00 42.52 O ATOM 0 H GLY A 49 19.301 -1.588 -4.063 1.00 52.44 H new ATOM 0 HA2 GLY A 49 17.382 -2.172 -1.967 1.00 11.04 H new ATOM 0 HA3 GLY A 49 17.067 -1.752 -3.639 1.00 11.04 H new ATOM 786 N LEU A 50 18.482 -4.615 -3.456 1.00 5.41 N ATOM 787 CA LEU A 50 18.356 -6.036 -3.762 1.00 43.33 C ATOM 788 C LEU A 50 18.418 -6.875 -2.490 1.00 33.01 C ATOM 789 O LEU A 50 17.880 -7.981 -2.436 1.00 12.52 O ATOM 790 CB LEU A 50 19.460 -6.469 -4.727 1.00 14.32 C ATOM 791 CG LEU A 50 19.449 -5.803 -6.104 1.00 41.33 C ATOM 792 CD1 LEU A 50 20.515 -6.412 -7.000 1.00 71.24 C ATOM 793 CD2 LEU A 50 18.075 -5.928 -6.744 1.00 63.33 C ATOM 0 H LEU A 50 19.443 -4.286 -3.367 1.00 5.41 H new ATOM 0 HA LEU A 50 17.386 -6.197 -4.233 1.00 43.33 H new ATOM 0 HB2 LEU A 50 20.423 -6.270 -4.257 1.00 14.32 H new ATOM 0 HB3 LEU A 50 19.390 -7.548 -4.867 1.00 14.32 H new ATOM 0 HG LEU A 50 19.674 -4.744 -5.977 1.00 41.33 H new ATOM 0 HD11 LEU A 50 20.492 -5.926 -7.975 1.00 71.24 H new ATOM 0 HD12 LEU A 50 21.496 -6.270 -6.547 1.00 71.24 H new ATOM 0 HD13 LEU A 50 20.323 -7.478 -7.122 1.00 71.24 H new ATOM 0 HD21 LEU A 50 18.085 -5.449 -7.723 1.00 63.33 H new ATOM 0 HD22 LEU A 50 17.821 -6.982 -6.858 1.00 63.33 H new ATOM 0 HD23 LEU A 50 17.333 -5.443 -6.110 1.00 63.33 H new ATOM 805 N LEU A 51 19.077 -6.341 -1.467 1.00 1.02 N ATOM 806 CA LEU A 51 19.208 -7.040 -0.193 1.00 33.32 C ATOM 807 C LEU A 51 17.879 -7.062 0.556 1.00 75.34 C ATOM 808 O LEU A 51 17.628 -7.954 1.364 1.00 71.14 O ATOM 809 CB LEU A 51 20.281 -6.372 0.669 1.00 24.51 C ATOM 810 CG LEU A 51 21.697 -6.365 0.094 1.00 23.30 C ATOM 811 CD1 LEU A 51 22.620 -5.519 0.957 1.00 51.40 C ATOM 812 CD2 LEU A 51 22.231 -7.785 -0.028 1.00 63.25 C ATOM 0 H LEU A 51 19.529 -5.427 -1.495 1.00 1.02 H new ATOM 0 HA LEU A 51 19.504 -8.068 -0.400 1.00 33.32 H new ATOM 0 HB2 LEU A 51 19.980 -5.341 0.853 1.00 24.51 H new ATOM 0 HB3 LEU A 51 20.306 -6.874 1.636 1.00 24.51 H new ATOM 0 HG LEU A 51 21.661 -5.925 -0.903 1.00 23.30 H new ATOM 0 HD11 LEU A 51 23.624 -5.526 0.532 1.00 51.40 H new ATOM 0 HD12 LEU A 51 22.248 -4.495 0.992 1.00 51.40 H new ATOM 0 HD13 LEU A 51 22.651 -5.929 1.967 1.00 51.40 H new ATOM 0 HD21 LEU A 51 23.240 -7.760 -0.439 1.00 63.25 H new ATOM 0 HD22 LEU A 51 22.252 -8.252 0.957 1.00 63.25 H new ATOM 0 HD23 LEU A 51 21.584 -8.361 -0.689 1.00 63.25 H new ATOM 824 N GLU A 52 17.032 -6.077 0.276 1.00 4.44 N ATOM 825 CA GLU A 52 15.728 -5.985 0.923 1.00 14.32 C ATOM 826 C GLU A 52 14.756 -7.001 0.331 1.00 72.43 C ATOM 827 O GLU A 52 13.636 -7.164 0.819 1.00 74.23 O ATOM 828 CB GLU A 52 15.159 -4.572 0.777 1.00 75.31 C ATOM 829 CG GLU A 52 15.085 -4.092 -0.664 1.00 14.11 C ATOM 830 CD GLU A 52 13.717 -3.550 -1.028 1.00 54.14 C ATOM 831 OE1 GLU A 52 12.737 -4.321 -0.966 1.00 64.23 O ATOM 832 OE2 GLU A 52 13.627 -2.353 -1.375 1.00 14.12 O ATOM 0 H GLU A 52 17.225 -5.332 -0.394 1.00 4.44 H new ATOM 0 HA GLU A 52 15.859 -6.207 1.982 1.00 14.32 H new ATOM 0 HB2 GLU A 52 14.160 -4.545 1.212 1.00 75.31 H new ATOM 0 HB3 GLU A 52 15.775 -3.880 1.351 1.00 75.31 H new ATOM 0 HG2 GLU A 52 15.834 -3.316 -0.823 1.00 14.11 H new ATOM 0 HG3 GLU A 52 15.334 -4.917 -1.331 1.00 14.11 H new ATOM 839 N THR A 53 15.190 -7.682 -0.725 1.00 21.34 N ATOM 840 CA THR A 53 14.358 -8.680 -1.386 1.00 54.31 C ATOM 841 C THR A 53 15.058 -10.034 -1.435 1.00 14.24 C ATOM 842 O THR A 53 16.216 -10.130 -1.841 1.00 72.14 O ATOM 843 CB THR A 53 13.997 -8.250 -2.820 1.00 3.41 C ATOM 844 OG1 THR A 53 15.143 -8.366 -3.670 1.00 15.41 O ATOM 845 CG2 THR A 53 13.486 -6.818 -2.843 1.00 25.04 C ATOM 0 H THR A 53 16.113 -7.560 -1.141 1.00 21.34 H new ATOM 0 HA THR A 53 13.443 -8.767 -0.800 1.00 54.31 H new ATOM 0 HB THR A 53 13.207 -8.907 -3.184 1.00 3.41 H new ATOM 0 HG1 THR A 53 15.956 -8.377 -3.123 1.00 15.41 H new ATOM 0 HG21 THR A 53 13.237 -6.537 -3.866 1.00 25.04 H new ATOM 0 HG22 THR A 53 12.596 -6.739 -2.219 1.00 25.04 H new ATOM 0 HG23 THR A 53 14.258 -6.150 -2.460 1.00 25.04 H new ATOM 853 N SER A 54 14.349 -11.077 -1.018 1.00 5.13 N ATOM 854 CA SER A 54 14.903 -12.426 -1.012 1.00 0.53 C ATOM 855 C SER A 54 15.417 -12.809 -2.396 1.00 25.22 C ATOM 856 O SER A 54 16.318 -13.637 -2.528 1.00 22.32 O ATOM 857 CB SER A 54 13.848 -13.432 -0.551 1.00 4.14 C ATOM 858 OG SER A 54 13.144 -13.976 -1.654 1.00 74.13 O ATOM 0 H SER A 54 13.389 -11.014 -0.680 1.00 5.13 H new ATOM 0 HA SER A 54 15.741 -12.444 -0.315 1.00 0.53 H new ATOM 0 HB2 SER A 54 14.327 -14.234 0.010 1.00 4.14 H new ATOM 0 HB3 SER A 54 13.147 -12.944 0.126 1.00 4.14 H new ATOM 0 HG SER A 54 12.477 -14.617 -1.332 1.00 74.13 H new ATOM 864 N GLU A 55 14.835 -12.200 -3.425 1.00 35.43 N ATOM 865 CA GLU A 55 15.233 -12.477 -4.800 1.00 55.21 C ATOM 866 C GLU A 55 16.540 -11.766 -5.143 1.00 61.51 C ATOM 867 O GLU A 55 17.408 -12.325 -5.811 1.00 65.33 O ATOM 868 CB GLU A 55 14.134 -12.043 -5.771 1.00 43.24 C ATOM 869 CG GLU A 55 13.632 -13.165 -6.664 1.00 53.53 C ATOM 870 CD GLU A 55 14.634 -13.550 -7.735 1.00 71.33 C ATOM 871 OE1 GLU A 55 15.285 -12.640 -8.291 1.00 14.41 O ATOM 872 OE2 GLU A 55 14.766 -14.759 -8.018 1.00 23.33 O ATOM 0 H GLU A 55 14.087 -11.512 -3.332 1.00 35.43 H new ATOM 0 HA GLU A 55 15.388 -13.552 -4.896 1.00 55.21 H new ATOM 0 HB2 GLU A 55 13.296 -11.641 -5.202 1.00 43.24 H new ATOM 0 HB3 GLU A 55 14.512 -11.234 -6.396 1.00 43.24 H new ATOM 0 HG2 GLU A 55 13.406 -14.038 -6.052 1.00 53.53 H new ATOM 0 HG3 GLU A 55 12.699 -12.858 -7.138 1.00 53.53 H new ATOM 879 N GLY A 56 16.671 -10.525 -4.680 1.00 44.45 N ATOM 880 CA GLY A 56 17.871 -9.756 -4.948 1.00 54.42 C ATOM 881 C GLY A 56 19.094 -10.333 -4.260 1.00 72.41 C ATOM 882 O GLY A 56 20.164 -10.430 -4.862 1.00 72.21 O ATOM 0 H GLY A 56 15.967 -10.040 -4.124 1.00 44.45 H new ATOM 0 HA2 GLY A 56 18.045 -9.722 -6.024 1.00 54.42 H new ATOM 0 HA3 GLY A 56 17.722 -8.728 -4.617 1.00 54.42 H new ATOM 886 N CYS A 57 18.936 -10.714 -2.999 1.00 2.41 N ATOM 887 CA CYS A 57 20.038 -11.282 -2.228 1.00 4.01 C ATOM 888 C CYS A 57 20.665 -12.461 -2.963 1.00 65.00 C ATOM 889 O CYS A 57 21.878 -12.505 -3.166 1.00 61.50 O ATOM 890 CB CYS A 57 19.546 -11.727 -0.849 1.00 61.11 C ATOM 891 SG CYS A 57 20.066 -10.646 0.504 1.00 72.44 S ATOM 0 H CYS A 57 18.057 -10.641 -2.487 1.00 2.41 H new ATOM 0 HA CYS A 57 20.798 -10.510 -2.103 1.00 4.01 H new ATOM 0 HB2 CYS A 57 18.457 -11.777 -0.862 1.00 61.11 H new ATOM 0 HB3 CYS A 57 19.909 -12.736 -0.654 1.00 61.11 H new ATOM 0 HG CYS A 57 20.942 -11.263 1.240 1.00 72.44 H new ATOM 897 N ARG A 58 19.829 -13.417 -3.359 1.00 32.34 N ATOM 898 CA ARG A 58 20.303 -14.598 -4.069 1.00 73.12 C ATOM 899 C ARG A 58 21.156 -14.205 -5.271 1.00 35.50 C ATOM 900 O ARG A 58 22.165 -14.847 -5.564 1.00 63.23 O ATOM 901 CB ARG A 58 19.119 -15.452 -4.529 1.00 23.13 C ATOM 902 CG ARG A 58 19.395 -16.946 -4.494 1.00 74.22 C ATOM 903 CD ARG A 58 18.628 -17.679 -5.583 1.00 40.50 C ATOM 904 NE ARG A 58 19.507 -18.494 -6.418 1.00 11.50 N ATOM 905 CZ ARG A 58 19.067 -19.428 -7.254 1.00 35.24 C ATOM 906 NH1 ARG A 58 17.769 -19.664 -7.367 1.00 65.42 N ATOM 907 NH2 ARG A 58 19.930 -20.129 -7.980 1.00 33.33 N ATOM 0 H ARG A 58 18.822 -13.396 -3.200 1.00 32.34 H new ATOM 0 HA ARG A 58 20.919 -15.180 -3.383 1.00 73.12 H new ATOM 0 HB2 ARG A 58 18.258 -15.235 -3.896 1.00 23.13 H new ATOM 0 HB3 ARG A 58 18.848 -15.165 -5.545 1.00 23.13 H new ATOM 0 HG2 ARG A 58 20.463 -17.123 -4.618 1.00 74.22 H new ATOM 0 HG3 ARG A 58 19.117 -17.346 -3.519 1.00 74.22 H new ATOM 0 HD2 ARG A 58 17.869 -18.315 -5.127 1.00 40.50 H new ATOM 0 HD3 ARG A 58 18.104 -16.955 -6.207 1.00 40.50 H new ATOM 0 HE ARG A 58 20.513 -18.337 -6.356 1.00 11.50 H new ATOM 0 HH11 ARG A 58 17.103 -19.128 -6.811 1.00 65.42 H new ATOM 0 HH12 ARG A 58 17.435 -20.382 -8.010 1.00 65.42 H new ATOM 0 HH21 ARG A 58 20.931 -19.950 -7.896 1.00 33.33 H new ATOM 0 HH22 ARG A 58 19.592 -20.846 -8.622 1.00 33.33 H new ATOM 921 N GLN A 59 20.744 -13.147 -5.963 1.00 12.52 N ATOM 922 CA GLN A 59 21.471 -12.670 -7.133 1.00 3.13 C ATOM 923 C GLN A 59 22.859 -12.170 -6.746 1.00 51.31 C ATOM 924 O GLN A 59 23.833 -12.398 -7.463 1.00 34.13 O ATOM 925 CB GLN A 59 20.689 -11.552 -7.824 1.00 63.43 C ATOM 926 CG GLN A 59 20.162 -11.937 -9.197 1.00 21.10 C ATOM 927 CD GLN A 59 19.963 -10.739 -10.103 1.00 33.33 C ATOM 928 OE1 GLN A 59 19.581 -9.659 -9.651 1.00 4.21 O ATOM 929 NE2 GLN A 59 20.224 -10.921 -11.393 1.00 44.45 N ATOM 0 H GLN A 59 19.911 -12.605 -5.733 1.00 12.52 H new ATOM 0 HA GLN A 59 21.585 -13.506 -7.823 1.00 3.13 H new ATOM 0 HB2 GLN A 59 19.851 -11.261 -7.191 1.00 63.43 H new ATOM 0 HB3 GLN A 59 21.332 -10.678 -7.923 1.00 63.43 H new ATOM 0 HG2 GLN A 59 20.858 -12.632 -9.667 1.00 21.10 H new ATOM 0 HG3 GLN A 59 19.214 -12.463 -9.084 1.00 21.10 H new ATOM 0 HE21 GLN A 59 20.539 -11.832 -11.726 1.00 44.45 H new ATOM 0 HE22 GLN A 59 20.110 -10.149 -12.050 1.00 44.45 H new ATOM 938 N ILE A 60 22.941 -11.489 -5.608 1.00 10.22 N ATOM 939 CA ILE A 60 24.210 -10.958 -5.125 1.00 51.25 C ATOM 940 C ILE A 60 25.128 -12.077 -4.648 1.00 54.45 C ATOM 941 O ILE A 60 26.264 -12.202 -5.107 1.00 34.31 O ATOM 942 CB ILE A 60 24.000 -9.955 -3.975 1.00 54.44 C ATOM 943 CG1 ILE A 60 23.107 -8.801 -4.432 1.00 52.10 C ATOM 944 CG2 ILE A 60 25.340 -9.433 -3.477 1.00 52.15 C ATOM 945 CD1 ILE A 60 22.500 -8.018 -3.289 1.00 23.22 C ATOM 0 H ILE A 60 22.144 -11.292 -5.003 1.00 10.22 H new ATOM 0 HA ILE A 60 24.676 -10.442 -5.965 1.00 51.25 H new ATOM 0 HB ILE A 60 23.503 -10.467 -3.151 1.00 54.44 H new ATOM 0 HG12 ILE A 60 23.692 -8.124 -5.055 1.00 52.10 H new ATOM 0 HG13 ILE A 60 22.306 -9.197 -5.056 1.00 52.10 H new ATOM 0 HG21 ILE A 60 25.176 -8.725 -2.664 1.00 52.15 H new ATOM 0 HG22 ILE A 60 25.944 -10.266 -3.116 1.00 52.15 H new ATOM 0 HG23 ILE A 60 25.862 -8.933 -4.293 1.00 52.15 H new ATOM 0 HD11 ILE A 60 21.879 -7.215 -3.687 1.00 23.22 H new ATOM 0 HD12 ILE A 60 21.888 -8.681 -2.678 1.00 23.22 H new ATOM 0 HD13 ILE A 60 23.295 -7.592 -2.677 1.00 23.22 H new ATOM 957 N LEU A 61 24.629 -12.893 -3.726 1.00 5.12 N ATOM 958 CA LEU A 61 25.404 -14.005 -3.186 1.00 71.14 C ATOM 959 C LEU A 61 25.913 -14.907 -4.306 1.00 51.30 C ATOM 960 O LEU A 61 27.085 -15.281 -4.332 1.00 23.15 O ATOM 961 CB LEU A 61 24.553 -14.818 -2.209 1.00 1.41 C ATOM 962 CG LEU A 61 24.021 -14.060 -0.992 1.00 61.42 C ATOM 963 CD1 LEU A 61 22.661 -14.602 -0.579 1.00 2.15 C ATOM 964 CD2 LEU A 61 25.006 -14.147 0.165 1.00 72.10 C ATOM 0 H LEU A 61 23.690 -12.805 -3.336 1.00 5.12 H new ATOM 0 HA LEU A 61 26.263 -13.594 -2.656 1.00 71.14 H new ATOM 0 HB2 LEU A 61 23.704 -15.231 -2.754 1.00 1.41 H new ATOM 0 HB3 LEU A 61 25.146 -15.661 -1.856 1.00 1.41 H new ATOM 0 HG LEU A 61 23.904 -13.011 -1.264 1.00 61.42 H new ATOM 0 HD11 LEU A 61 22.298 -14.051 0.288 1.00 2.15 H new ATOM 0 HD12 LEU A 61 21.957 -14.486 -1.403 1.00 2.15 H new ATOM 0 HD13 LEU A 61 22.752 -15.658 -0.326 1.00 2.15 H new ATOM 0 HD21 LEU A 61 24.610 -13.602 1.022 1.00 72.10 H new ATOM 0 HD22 LEU A 61 25.156 -15.192 0.437 1.00 72.10 H new ATOM 0 HD23 LEU A 61 25.959 -13.710 -0.134 1.00 72.10 H new ATOM 976 N GLY A 62 25.023 -15.253 -5.233 1.00 25.45 N ATOM 977 CA GLY A 62 25.402 -16.105 -6.343 1.00 73.00 C ATOM 978 C GLY A 62 26.547 -15.530 -7.152 1.00 52.43 C ATOM 979 O GLY A 62 27.322 -16.271 -7.757 1.00 60.32 O ATOM 0 H GLY A 62 24.047 -14.958 -5.234 1.00 25.45 H new ATOM 0 HA2 GLY A 62 25.687 -17.086 -5.963 1.00 73.00 H new ATOM 0 HA3 GLY A 62 24.540 -16.253 -6.994 1.00 73.00 H new ATOM 983 N GLN A 63 26.654 -14.205 -7.165 1.00 0.13 N ATOM 984 CA GLN A 63 27.712 -13.532 -7.908 1.00 21.22 C ATOM 985 C GLN A 63 29.050 -13.657 -7.185 1.00 62.42 C ATOM 986 O GLN A 63 30.098 -13.789 -7.817 1.00 74.13 O ATOM 987 CB GLN A 63 27.364 -12.055 -8.109 1.00 2.51 C ATOM 988 CG GLN A 63 27.314 -11.635 -9.568 1.00 60.25 C ATOM 989 CD GLN A 63 28.169 -10.416 -9.854 1.00 2.44 C ATOM 990 OE1 GLN A 63 27.838 -9.302 -9.447 1.00 13.51 O ATOM 991 NE2 GLN A 63 29.278 -10.621 -10.556 1.00 45.01 N ATOM 0 H GLN A 63 26.021 -13.577 -6.670 1.00 0.13 H new ATOM 0 HA GLN A 63 27.799 -14.013 -8.882 1.00 21.22 H new ATOM 0 HB2 GLN A 63 26.397 -11.852 -7.648 1.00 2.51 H new ATOM 0 HB3 GLN A 63 28.100 -11.443 -7.588 1.00 2.51 H new ATOM 0 HG2 GLN A 63 27.649 -12.463 -10.192 1.00 60.25 H new ATOM 0 HG3 GLN A 63 26.282 -11.423 -9.846 1.00 60.25 H new ATOM 0 HE21 GLN A 63 29.514 -11.561 -10.874 1.00 45.01 H new ATOM 0 HE22 GLN A 63 29.893 -9.838 -10.777 1.00 45.01 H new ATOM 1000 N LEU A 64 29.006 -13.614 -5.858 1.00 72.31 N ATOM 1001 CA LEU A 64 30.215 -13.722 -5.049 1.00 54.14 C ATOM 1002 C LEU A 64 30.421 -15.155 -4.568 1.00 51.20 C ATOM 1003 O LEU A 64 31.055 -15.389 -3.540 1.00 31.11 O ATOM 1004 CB LEU A 64 30.137 -12.776 -3.850 1.00 62.01 C ATOM 1005 CG LEU A 64 29.689 -11.345 -4.152 1.00 63.34 C ATOM 1006 CD1 LEU A 64 29.168 -10.671 -2.892 1.00 71.05 C ATOM 1007 CD2 LEU A 64 30.834 -10.544 -4.754 1.00 41.23 C ATOM 0 H LEU A 64 28.147 -13.505 -5.320 1.00 72.31 H new ATOM 0 HA LEU A 64 31.065 -13.440 -5.671 1.00 54.14 H new ATOM 0 HB2 LEU A 64 29.451 -13.204 -3.119 1.00 62.01 H new ATOM 0 HB3 LEU A 64 31.119 -12.736 -3.379 1.00 62.01 H new ATOM 0 HG LEU A 64 28.878 -11.384 -4.879 1.00 63.34 H new ATOM 0 HD11 LEU A 64 28.854 -9.654 -3.127 1.00 71.05 H new ATOM 0 HD12 LEU A 64 28.318 -11.233 -2.504 1.00 71.05 H new ATOM 0 HD13 LEU A 64 29.958 -10.643 -2.141 1.00 71.05 H new ATOM 0 HD21 LEU A 64 30.497 -9.528 -4.963 1.00 41.23 H new ATOM 0 HD22 LEU A 64 31.666 -10.513 -4.050 1.00 41.23 H new ATOM 0 HD23 LEU A 64 31.160 -11.016 -5.681 1.00 41.23 H new ATOM 1019 N GLN A 65 29.884 -16.109 -5.320 1.00 50.14 N ATOM 1020 CA GLN A 65 30.011 -17.519 -4.971 1.00 44.24 C ATOM 1021 C GLN A 65 31.446 -17.999 -5.156 1.00 55.42 C ATOM 1022 O GLN A 65 32.112 -18.423 -4.210 1.00 43.13 O ATOM 1023 CB GLN A 65 29.064 -18.366 -5.824 1.00 20.31 C ATOM 1024 CG GLN A 65 27.899 -18.952 -5.043 1.00 3.24 C ATOM 1025 CD GLN A 65 28.249 -20.266 -4.372 1.00 61.24 C ATOM 1026 OE1 GLN A 65 27.979 -21.341 -4.910 1.00 5.22 O ATOM 1027 NE2 GLN A 65 28.853 -20.187 -3.192 1.00 54.22 N ATOM 0 H GLN A 65 29.357 -15.932 -6.175 1.00 50.14 H new ATOM 0 HA GLN A 65 29.742 -17.632 -3.921 1.00 44.24 H new ATOM 0 HB2 GLN A 65 28.674 -17.753 -6.636 1.00 20.31 H new ATOM 0 HB3 GLN A 65 29.629 -19.178 -6.281 1.00 20.31 H new ATOM 0 HG2 GLN A 65 27.577 -18.236 -4.286 1.00 3.24 H new ATOM 0 HG3 GLN A 65 27.056 -19.105 -5.716 1.00 3.24 H new ATOM 0 HE21 GLN A 65 29.057 -19.275 -2.784 1.00 54.22 H new ATOM 0 HE22 GLN A 65 29.113 -21.038 -2.694 1.00 54.22 H new ATOM 1036 N PRO A 66 31.937 -17.932 -6.402 1.00 50.32 N ATOM 1037 CA PRO A 66 33.299 -18.356 -6.740 1.00 32.34 C ATOM 1038 C PRO A 66 34.356 -17.417 -6.168 1.00 31.12 C ATOM 1039 O PRO A 66 35.429 -17.855 -5.752 1.00 33.32 O ATOM 1040 CB PRO A 66 33.316 -18.310 -8.270 1.00 61.30 C ATOM 1041 CG PRO A 66 32.267 -17.316 -8.631 1.00 3.12 C ATOM 1042 CD PRO A 66 31.200 -17.438 -7.577 1.00 35.41 C ATOM 0 HA PRO A 66 33.535 -19.337 -6.327 1.00 32.34 H new ATOM 0 HB2 PRO A 66 34.294 -18.008 -8.646 1.00 61.30 H new ATOM 0 HB3 PRO A 66 33.098 -19.289 -8.698 1.00 61.30 H new ATOM 0 HG2 PRO A 66 32.678 -16.307 -8.655 1.00 3.12 H new ATOM 0 HG3 PRO A 66 31.861 -17.519 -9.622 1.00 3.12 H new ATOM 0 HD2 PRO A 66 30.721 -16.480 -7.377 1.00 35.41 H new ATOM 0 HD3 PRO A 66 30.414 -18.130 -7.879 1.00 35.41 H new ATOM 1050 N SER A 67 34.046 -16.124 -6.150 1.00 3.44 N ATOM 1051 CA SER A 67 34.971 -15.123 -5.632 1.00 11.45 C ATOM 1052 C SER A 67 35.406 -15.469 -4.210 1.00 65.24 C ATOM 1053 O SER A 67 36.509 -15.125 -3.785 1.00 52.53 O ATOM 1054 CB SER A 67 34.323 -13.738 -5.656 1.00 51.31 C ATOM 1055 OG SER A 67 33.805 -13.440 -6.942 1.00 2.42 O ATOM 0 H SER A 67 33.161 -15.746 -6.488 1.00 3.44 H new ATOM 0 HA SER A 67 35.854 -15.114 -6.272 1.00 11.45 H new ATOM 0 HB2 SER A 67 33.521 -13.695 -4.919 1.00 51.31 H new ATOM 0 HB3 SER A 67 35.058 -12.984 -5.373 1.00 51.31 H new ATOM 0 HG SER A 67 33.394 -12.550 -6.931 1.00 2.42 H new ATOM 1061 N LEU A 68 34.529 -16.150 -3.480 1.00 4.42 N ATOM 1062 CA LEU A 68 34.819 -16.543 -2.106 1.00 15.23 C ATOM 1063 C LEU A 68 36.103 -17.365 -2.034 1.00 1.11 C ATOM 1064 O LEU A 68 36.779 -17.388 -1.006 1.00 21.13 O ATOM 1065 CB LEU A 68 33.654 -17.345 -1.527 1.00 4.42 C ATOM 1066 CG LEU A 68 32.446 -16.532 -1.057 1.00 55.40 C ATOM 1067 CD1 LEU A 68 31.165 -17.335 -1.221 1.00 34.03 C ATOM 1068 CD2 LEU A 68 32.626 -16.099 0.392 1.00 54.24 C ATOM 0 H LEU A 68 33.611 -16.441 -3.817 1.00 4.42 H new ATOM 0 HA LEU A 68 34.956 -15.636 -1.516 1.00 15.23 H new ATOM 0 HB2 LEU A 68 33.317 -18.055 -2.282 1.00 4.42 H new ATOM 0 HB3 LEU A 68 34.024 -17.928 -0.684 1.00 4.42 H new ATOM 0 HG LEU A 68 32.371 -15.638 -1.676 1.00 55.40 H new ATOM 0 HD11 LEU A 68 30.317 -16.740 -0.882 1.00 34.03 H new ATOM 0 HD12 LEU A 68 31.030 -17.594 -2.271 1.00 34.03 H new ATOM 0 HD13 LEU A 68 31.229 -18.247 -0.628 1.00 34.03 H new ATOM 0 HD21 LEU A 68 31.758 -15.522 0.710 1.00 54.24 H new ATOM 0 HD22 LEU A 68 32.727 -16.980 1.025 1.00 54.24 H new ATOM 0 HD23 LEU A 68 33.522 -15.484 0.479 1.00 54.24 H new ATOM 1080 N GLN A 69 36.431 -18.036 -3.133 1.00 50.32 N ATOM 1081 CA GLN A 69 37.634 -18.858 -3.195 1.00 15.25 C ATOM 1082 C GLN A 69 38.863 -18.057 -2.775 1.00 3.33 C ATOM 1083 O GLN A 69 39.626 -18.480 -1.905 1.00 20.33 O ATOM 1084 CB GLN A 69 37.829 -19.409 -4.608 1.00 14.14 C ATOM 1085 CG GLN A 69 38.623 -20.704 -4.652 1.00 43.21 C ATOM 1086 CD GLN A 69 39.655 -20.719 -5.762 1.00 70.14 C ATOM 1087 OE1 GLN A 69 39.337 -20.466 -6.925 1.00 2.45 O ATOM 1088 NE2 GLN A 69 40.900 -21.018 -5.410 1.00 21.30 N ATOM 0 H GLN A 69 35.881 -18.027 -3.992 1.00 50.32 H new ATOM 0 HA GLN A 69 37.511 -19.690 -2.502 1.00 15.25 H new ATOM 0 HB2 GLN A 69 36.852 -19.576 -5.062 1.00 14.14 H new ATOM 0 HB3 GLN A 69 38.338 -18.660 -5.214 1.00 14.14 H new ATOM 0 HG2 GLN A 69 39.123 -20.852 -3.695 1.00 43.21 H new ATOM 0 HG3 GLN A 69 37.938 -21.541 -4.787 1.00 43.21 H new ATOM 0 HE21 GLN A 69 41.119 -21.221 -4.435 1.00 21.30 H new ATOM 0 HE22 GLN A 69 41.637 -21.045 -6.115 1.00 21.30 H new ATOM 1097 N THR A 70 39.048 -16.898 -3.398 1.00 31.04 N ATOM 1098 CA THR A 70 40.185 -16.038 -3.090 1.00 1.45 C ATOM 1099 C THR A 70 39.751 -14.584 -2.943 1.00 42.02 C ATOM 1100 O THR A 70 40.400 -13.678 -3.462 1.00 23.44 O ATOM 1101 CB THR A 70 41.271 -16.130 -4.179 1.00 44.13 C ATOM 1102 OG1 THR A 70 40.691 -15.899 -5.468 1.00 73.53 O ATOM 1103 CG2 THR A 70 41.945 -17.493 -4.157 1.00 40.13 C ATOM 0 H THR A 70 38.426 -16.533 -4.119 1.00 31.04 H new ATOM 0 HA THR A 70 40.599 -16.388 -2.144 1.00 1.45 H new ATOM 0 HB THR A 70 42.024 -15.368 -3.977 1.00 44.13 H new ATOM 0 HG1 THR A 70 41.387 -15.957 -6.155 1.00 73.53 H new ATOM 0 HG21 THR A 70 42.708 -17.534 -4.934 1.00 40.13 H new ATOM 0 HG22 THR A 70 42.409 -17.654 -3.184 1.00 40.13 H new ATOM 0 HG23 THR A 70 41.201 -18.270 -4.337 1.00 40.13 H new ATOM 1111 N GLY A 71 38.649 -14.369 -2.231 1.00 43.55 N ATOM 1112 CA GLY A 71 38.147 -13.023 -2.027 1.00 32.12 C ATOM 1113 C GLY A 71 38.901 -12.281 -0.941 1.00 43.22 C ATOM 1114 O GLY A 71 39.724 -12.867 -0.237 1.00 20.53 O ATOM 0 H GLY A 71 38.095 -15.104 -1.792 1.00 43.55 H new ATOM 0 HA2 GLY A 71 38.220 -12.466 -2.961 1.00 32.12 H new ATOM 0 HA3 GLY A 71 37.090 -13.069 -1.765 1.00 32.12 H new ATOM 1118 N SER A 72 38.621 -10.990 -0.806 1.00 21.14 N ATOM 1119 CA SER A 72 39.283 -10.165 0.199 1.00 45.01 C ATOM 1120 C SER A 72 38.365 -9.925 1.395 1.00 54.44 C ATOM 1121 O SER A 72 37.276 -10.492 1.478 1.00 15.25 O ATOM 1122 CB SER A 72 39.708 -8.827 -0.408 1.00 0.24 C ATOM 1123 OG SER A 72 38.580 -8.063 -0.800 1.00 24.15 O ATOM 0 H SER A 72 37.940 -10.491 -1.379 1.00 21.14 H new ATOM 0 HA SER A 72 40.170 -10.697 0.544 1.00 45.01 H new ATOM 0 HB2 SER A 72 40.297 -8.266 0.317 1.00 0.24 H new ATOM 0 HB3 SER A 72 40.350 -9.003 -1.271 1.00 0.24 H new ATOM 0 HG SER A 72 38.879 -7.212 -1.183 1.00 24.15 H new ATOM 1129 N GLU A 73 38.816 -9.082 2.318 1.00 41.22 N ATOM 1130 CA GLU A 73 38.036 -8.768 3.510 1.00 12.21 C ATOM 1131 C GLU A 73 36.712 -8.108 3.136 1.00 32.35 C ATOM 1132 O GLU A 73 35.734 -8.194 3.877 1.00 33.32 O ATOM 1133 CB GLU A 73 38.833 -7.849 4.440 1.00 60.43 C ATOM 1134 CG GLU A 73 39.122 -8.461 5.799 1.00 12.41 C ATOM 1135 CD GLU A 73 40.487 -8.073 6.335 1.00 43.44 C ATOM 1136 OE1 GLU A 73 41.460 -8.100 5.554 1.00 14.22 O ATOM 1137 OE2 GLU A 73 40.580 -7.744 7.537 1.00 33.50 O ATOM 0 H GLU A 73 39.716 -8.605 2.264 1.00 41.22 H new ATOM 0 HA GLU A 73 37.822 -9.702 4.030 1.00 12.21 H new ATOM 0 HB2 GLU A 73 39.777 -7.590 3.960 1.00 60.43 H new ATOM 0 HB3 GLU A 73 38.281 -6.920 4.579 1.00 60.43 H new ATOM 0 HG2 GLU A 73 38.355 -8.145 6.506 1.00 12.41 H new ATOM 0 HG3 GLU A 73 39.060 -9.547 5.725 1.00 12.41 H new ATOM 1144 N GLU A 74 36.691 -7.449 1.982 1.00 54.43 N ATOM 1145 CA GLU A 74 35.488 -6.774 1.510 1.00 22.23 C ATOM 1146 C GLU A 74 34.497 -7.774 0.924 1.00 61.14 C ATOM 1147 O GLU A 74 33.386 -7.936 1.431 1.00 0.22 O ATOM 1148 CB GLU A 74 35.847 -5.719 0.461 1.00 42.14 C ATOM 1149 CG GLU A 74 36.282 -4.391 1.056 1.00 74.11 C ATOM 1150 CD GLU A 74 37.426 -3.756 0.290 1.00 11.45 C ATOM 1151 OE1 GLU A 74 37.479 -3.927 -0.946 1.00 34.34 O ATOM 1152 OE2 GLU A 74 38.269 -3.089 0.926 1.00 25.32 O ATOM 0 H GLU A 74 37.493 -7.368 1.357 1.00 54.43 H new ATOM 0 HA GLU A 74 35.019 -6.283 2.363 1.00 22.23 H new ATOM 0 HB2 GLU A 74 36.648 -6.104 -0.170 1.00 42.14 H new ATOM 0 HB3 GLU A 74 34.985 -5.553 -0.185 1.00 42.14 H new ATOM 0 HG2 GLU A 74 35.433 -3.707 1.068 1.00 74.11 H new ATOM 0 HG3 GLU A 74 36.583 -4.543 2.092 1.00 74.11 H new ATOM 1159 N LEU A 75 34.905 -8.445 -0.148 1.00 32.53 N ATOM 1160 CA LEU A 75 34.053 -9.429 -0.806 1.00 11.52 C ATOM 1161 C LEU A 75 33.523 -10.447 0.200 1.00 62.25 C ATOM 1162 O LEU A 75 32.329 -10.747 0.222 1.00 52.21 O ATOM 1163 CB LEU A 75 34.829 -10.146 -1.912 1.00 33.15 C ATOM 1164 CG LEU A 75 33.996 -10.990 -2.878 1.00 21.33 C ATOM 1165 CD1 LEU A 75 34.364 -10.671 -4.319 1.00 1.41 C ATOM 1166 CD2 LEU A 75 34.187 -12.472 -2.592 1.00 34.22 C ATOM 0 H LEU A 75 35.821 -8.325 -0.580 1.00 32.53 H new ATOM 0 HA LEU A 75 33.206 -8.904 -1.247 1.00 11.52 H new ATOM 0 HB2 LEU A 75 35.372 -9.399 -2.490 1.00 33.15 H new ATOM 0 HB3 LEU A 75 35.573 -10.792 -1.446 1.00 33.15 H new ATOM 0 HG LEU A 75 32.944 -10.745 -2.731 1.00 21.33 H new ATOM 0 HD11 LEU A 75 33.761 -11.281 -4.992 1.00 1.41 H new ATOM 0 HD12 LEU A 75 34.175 -9.616 -4.518 1.00 1.41 H new ATOM 0 HD13 LEU A 75 35.420 -10.887 -4.481 1.00 1.41 H new ATOM 0 HD21 LEU A 75 33.587 -13.057 -3.289 1.00 34.22 H new ATOM 0 HD22 LEU A 75 35.239 -12.733 -2.711 1.00 34.22 H new ATOM 0 HD23 LEU A 75 33.872 -12.689 -1.571 1.00 34.22 H new ATOM 1178 N ARG A 76 34.417 -10.972 1.030 1.00 42.32 N ATOM 1179 CA ARG A 76 34.038 -11.955 2.038 1.00 2.20 C ATOM 1180 C ARG A 76 33.007 -11.375 3.003 1.00 74.10 C ATOM 1181 O ARG A 76 31.943 -11.955 3.212 1.00 42.22 O ATOM 1182 CB ARG A 76 35.271 -12.423 2.814 1.00 73.44 C ATOM 1183 CG ARG A 76 35.082 -13.764 3.505 1.00 13.35 C ATOM 1184 CD ARG A 76 36.113 -13.973 4.604 1.00 52.03 C ATOM 1185 NE ARG A 76 35.655 -13.457 5.890 1.00 63.32 N ATOM 1186 CZ ARG A 76 34.813 -14.107 6.686 1.00 33.01 C ATOM 1187 NH1 ARG A 76 34.342 -15.293 6.329 1.00 4.31 N ATOM 1188 NH2 ARG A 76 34.443 -13.571 7.842 1.00 55.13 N ATOM 0 H ARG A 76 35.409 -10.734 1.025 1.00 42.32 H new ATOM 0 HA ARG A 76 33.593 -12.809 1.527 1.00 2.20 H new ATOM 0 HB2 ARG A 76 36.116 -12.492 2.129 1.00 73.44 H new ATOM 0 HB3 ARG A 76 35.527 -11.672 3.561 1.00 73.44 H new ATOM 0 HG2 ARG A 76 34.080 -13.818 3.930 1.00 13.35 H new ATOM 0 HG3 ARG A 76 35.161 -14.567 2.772 1.00 13.35 H new ATOM 0 HD2 ARG A 76 36.332 -15.037 4.698 1.00 52.03 H new ATOM 0 HD3 ARG A 76 37.044 -13.479 4.326 1.00 52.03 H new ATOM 0 HE ARG A 76 36.000 -12.547 6.195 1.00 63.32 H new ATOM 0 HH11 ARG A 76 34.626 -15.708 5.442 1.00 4.31 H new ATOM 0 HH12 ARG A 76 33.696 -15.790 6.941 1.00 4.31 H new ATOM 0 HH21 ARG A 76 34.805 -12.659 8.120 1.00 55.13 H new ATOM 0 HH22 ARG A 76 33.796 -14.071 8.452 1.00 55.13 H new ATOM 1202 N SER A 77 33.333 -10.227 3.588 1.00 24.45 N ATOM 1203 CA SER A 77 32.438 -9.570 4.533 1.00 11.50 C ATOM 1204 C SER A 77 31.044 -9.402 3.936 1.00 33.15 C ATOM 1205 O SER A 77 30.037 -9.536 4.632 1.00 40.42 O ATOM 1206 CB SER A 77 33.000 -8.206 4.937 1.00 1.33 C ATOM 1207 OG SER A 77 33.946 -8.333 5.985 1.00 54.44 O ATOM 0 H SER A 77 34.210 -9.733 3.424 1.00 24.45 H new ATOM 0 HA SER A 77 32.361 -10.200 5.419 1.00 11.50 H new ATOM 0 HB2 SER A 77 33.470 -7.733 4.075 1.00 1.33 H new ATOM 0 HB3 SER A 77 32.186 -7.554 5.255 1.00 1.33 H new ATOM 0 HG SER A 77 34.852 -8.313 5.612 1.00 54.44 H new ATOM 1213 N LEU A 78 30.995 -9.106 2.641 1.00 3.52 N ATOM 1214 CA LEU A 78 29.725 -8.919 1.948 1.00 4.22 C ATOM 1215 C LEU A 78 28.898 -10.201 1.971 1.00 23.35 C ATOM 1216 O LEU A 78 27.762 -10.210 2.445 1.00 25.13 O ATOM 1217 CB LEU A 78 29.971 -8.484 0.502 1.00 24.43 C ATOM 1218 CG LEU A 78 29.741 -7.002 0.201 1.00 70.44 C ATOM 1219 CD1 LEU A 78 28.319 -6.599 0.557 1.00 70.50 C ATOM 1220 CD2 LEU A 78 30.746 -6.142 0.952 1.00 4.43 C ATOM 0 H LEU A 78 31.819 -8.991 2.051 1.00 3.52 H new ATOM 0 HA LEU A 78 29.167 -8.139 2.467 1.00 4.22 H new ATOM 0 HB2 LEU A 78 30.999 -8.733 0.238 1.00 24.43 H new ATOM 0 HB3 LEU A 78 29.324 -9.072 -0.149 1.00 24.43 H new ATOM 0 HG LEU A 78 29.885 -6.842 -0.868 1.00 70.44 H new ATOM 0 HD11 LEU A 78 28.174 -5.541 0.336 1.00 70.50 H new ATOM 0 HD12 LEU A 78 27.616 -7.192 -0.028 1.00 70.50 H new ATOM 0 HD13 LEU A 78 28.146 -6.775 1.619 1.00 70.50 H new ATOM 0 HD21 LEU A 78 30.567 -5.091 0.725 1.00 4.43 H new ATOM 0 HD22 LEU A 78 30.636 -6.306 2.024 1.00 4.43 H new ATOM 0 HD23 LEU A 78 31.757 -6.412 0.646 1.00 4.43 H new ATOM 1232 N TYR A 79 29.476 -11.280 1.458 1.00 51.24 N ATOM 1233 CA TYR A 79 28.792 -12.568 1.419 1.00 12.25 C ATOM 1234 C TYR A 79 28.257 -12.942 2.798 1.00 23.12 C ATOM 1235 O TYR A 79 27.243 -13.629 2.918 1.00 72.51 O ATOM 1236 CB TYR A 79 29.741 -13.658 0.916 1.00 64.42 C ATOM 1237 CG TYR A 79 29.037 -14.935 0.516 1.00 63.13 C ATOM 1238 CD1 TYR A 79 28.503 -15.087 -0.757 1.00 45.15 C ATOM 1239 CD2 TYR A 79 28.905 -15.989 1.412 1.00 34.42 C ATOM 1240 CE1 TYR A 79 27.859 -16.252 -1.127 1.00 63.20 C ATOM 1241 CE2 TYR A 79 28.264 -17.158 1.051 1.00 60.51 C ATOM 1242 CZ TYR A 79 27.742 -17.284 -0.220 1.00 55.42 C ATOM 1243 OH TYR A 79 27.101 -18.447 -0.583 1.00 15.51 O ATOM 0 H TYR A 79 30.416 -11.290 1.063 1.00 51.24 H new ATOM 0 HA TYR A 79 27.950 -12.483 0.732 1.00 12.25 H new ATOM 0 HB2 TYR A 79 30.298 -13.277 0.060 1.00 64.42 H new ATOM 0 HB3 TYR A 79 30.469 -13.883 1.696 1.00 64.42 H new ATOM 0 HD1 TYR A 79 28.593 -14.281 -1.470 1.00 45.15 H new ATOM 0 HD2 TYR A 79 29.311 -15.892 2.408 1.00 34.42 H new ATOM 0 HE1 TYR A 79 27.449 -16.354 -2.121 1.00 63.20 H new ATOM 0 HE2 TYR A 79 28.172 -17.968 1.759 1.00 60.51 H new ATOM 0 HH TYR A 79 27.106 -19.073 0.171 1.00 15.51 H new ATOM 1253 N ASN A 80 28.946 -12.483 3.838 1.00 12.00 N ATOM 1254 CA ASN A 80 28.541 -12.769 5.210 1.00 74.12 C ATOM 1255 C ASN A 80 27.273 -12.003 5.572 1.00 44.52 C ATOM 1256 O ASN A 80 26.227 -12.599 5.837 1.00 30.42 O ATOM 1257 CB ASN A 80 29.665 -12.405 6.182 1.00 52.42 C ATOM 1258 CG ASN A 80 29.172 -12.265 7.609 1.00 55.44 C ATOM 1259 OD1 ASN A 80 28.237 -12.950 8.025 1.00 60.21 O ATOM 1260 ND2 ASN A 80 29.802 -11.376 8.368 1.00 14.21 N ATOM 0 H ASN A 80 29.787 -11.912 3.757 1.00 12.00 H new ATOM 0 HA ASN A 80 28.335 -13.837 5.287 1.00 74.12 H new ATOM 0 HB2 ASN A 80 30.439 -13.171 6.141 1.00 52.42 H new ATOM 0 HB3 ASN A 80 30.126 -11.469 5.866 1.00 52.42 H new ATOM 0 HD21 ASN A 80 29.516 -11.239 9.337 1.00 14.21 H new ATOM 0 HD22 ASN A 80 30.572 -10.830 7.982 1.00 14.21 H new ATOM 1267 N THR A 81 27.371 -10.677 5.583 1.00 64.23 N ATOM 1268 CA THR A 81 26.232 -9.829 5.913 1.00 11.43 C ATOM 1269 C THR A 81 25.044 -10.127 5.007 1.00 63.14 C ATOM 1270 O THR A 81 23.904 -10.198 5.467 1.00 45.02 O ATOM 1271 CB THR A 81 26.592 -8.336 5.796 1.00 61.32 C ATOM 1272 OG1 THR A 81 27.662 -8.017 6.693 1.00 64.23 O ATOM 1273 CG2 THR A 81 25.385 -7.463 6.107 1.00 14.23 C ATOM 0 H THR A 81 28.228 -10.167 5.367 1.00 64.23 H new ATOM 0 HA THR A 81 25.961 -10.050 6.945 1.00 11.43 H new ATOM 0 HB THR A 81 26.908 -8.141 4.771 1.00 61.32 H new ATOM 0 HG1 THR A 81 27.885 -7.066 6.611 1.00 64.23 H new ATOM 0 HG21 THR A 81 25.663 -6.413 6.018 1.00 14.23 H new ATOM 0 HG22 THR A 81 24.583 -7.687 5.404 1.00 14.23 H new ATOM 0 HG23 THR A 81 25.043 -7.663 7.122 1.00 14.23 H new ATOM 1281 N ILE A 82 25.316 -10.300 3.718 1.00 41.43 N ATOM 1282 CA ILE A 82 24.268 -10.593 2.748 1.00 20.32 C ATOM 1283 C ILE A 82 23.648 -11.962 3.004 1.00 32.34 C ATOM 1284 O ILE A 82 22.502 -12.214 2.636 1.00 53.32 O ATOM 1285 CB ILE A 82 24.807 -10.547 1.306 1.00 32.13 C ATOM 1286 CG1 ILE A 82 25.405 -9.171 1.005 1.00 0.44 C ATOM 1287 CG2 ILE A 82 23.699 -10.877 0.316 1.00 14.12 C ATOM 1288 CD1 ILE A 82 26.288 -9.151 -0.222 1.00 72.25 C ATOM 0 H ILE A 82 26.254 -10.242 3.321 1.00 41.43 H new ATOM 0 HA ILE A 82 23.505 -9.824 2.867 1.00 20.32 H new ATOM 0 HB ILE A 82 25.594 -11.294 1.204 1.00 32.13 H new ATOM 0 HG12 ILE A 82 24.595 -8.453 0.872 1.00 0.44 H new ATOM 0 HG13 ILE A 82 25.986 -8.840 1.866 1.00 0.44 H new ATOM 0 HG21 ILE A 82 24.095 -10.841 -0.699 1.00 14.12 H new ATOM 0 HG22 ILE A 82 23.315 -11.876 0.520 1.00 14.12 H new ATOM 0 HG23 ILE A 82 22.893 -10.151 0.417 1.00 14.12 H new ATOM 0 HD11 ILE A 82 26.677 -8.144 -0.374 1.00 72.25 H new ATOM 0 HD12 ILE A 82 27.118 -9.844 -0.084 1.00 72.25 H new ATOM 0 HD13 ILE A 82 25.706 -9.451 -1.094 1.00 72.25 H new ATOM 1300 N ALA A 83 24.415 -12.842 3.640 1.00 42.04 N ATOM 1301 CA ALA A 83 23.939 -14.185 3.950 1.00 72.53 C ATOM 1302 C ALA A 83 22.996 -14.171 5.147 1.00 54.04 C ATOM 1303 O ALA A 83 21.851 -14.615 5.054 1.00 23.53 O ATOM 1304 CB ALA A 83 25.116 -15.114 4.212 1.00 72.21 C ATOM 0 H ALA A 83 25.367 -12.649 3.950 1.00 42.04 H new ATOM 0 HA ALA A 83 23.383 -14.555 3.089 1.00 72.53 H new ATOM 0 HB1 ALA A 83 24.747 -16.113 4.442 1.00 72.21 H new ATOM 0 HB2 ALA A 83 25.750 -15.157 3.326 1.00 72.21 H new ATOM 0 HB3 ALA A 83 25.695 -14.738 5.055 1.00 72.21 H new ATOM 1310 N VAL A 84 23.484 -13.661 6.274 1.00 61.13 N ATOM 1311 CA VAL A 84 22.684 -13.590 7.490 1.00 32.32 C ATOM 1312 C VAL A 84 21.340 -12.920 7.226 1.00 72.04 C ATOM 1313 O VAL A 84 20.318 -13.309 7.792 1.00 2.11 O ATOM 1314 CB VAL A 84 23.420 -12.818 8.602 1.00 73.44 C ATOM 1315 CG1 VAL A 84 22.628 -12.863 9.899 1.00 63.14 C ATOM 1316 CG2 VAL A 84 24.819 -13.379 8.802 1.00 33.51 C ATOM 0 H VAL A 84 24.430 -13.291 6.369 1.00 61.13 H new ATOM 0 HA VAL A 84 22.517 -14.616 7.819 1.00 32.32 H new ATOM 0 HB VAL A 84 23.511 -11.775 8.297 1.00 73.44 H new ATOM 0 HG11 VAL A 84 23.164 -12.312 10.672 1.00 63.14 H new ATOM 0 HG12 VAL A 84 21.649 -12.410 9.743 1.00 63.14 H new ATOM 0 HG13 VAL A 84 22.502 -13.899 10.213 1.00 63.14 H new ATOM 0 HG21 VAL A 84 25.325 -12.822 9.591 1.00 33.51 H new ATOM 0 HG22 VAL A 84 24.753 -14.430 9.085 1.00 33.51 H new ATOM 0 HG23 VAL A 84 25.384 -13.288 7.874 1.00 33.51 H new ATOM 1326 N LEU A 85 21.348 -11.912 6.360 1.00 1.42 N ATOM 1327 CA LEU A 85 20.129 -11.187 6.020 1.00 21.33 C ATOM 1328 C LEU A 85 19.216 -12.039 5.144 1.00 45.54 C ATOM 1329 O LEU A 85 18.006 -12.101 5.368 1.00 73.41 O ATOM 1330 CB LEU A 85 20.472 -9.882 5.299 1.00 35.44 C ATOM 1331 CG LEU A 85 19.396 -8.797 5.325 1.00 40.02 C ATOM 1332 CD1 LEU A 85 19.941 -7.520 5.947 1.00 25.42 C ATOM 1333 CD2 LEU A 85 18.875 -8.528 3.921 1.00 43.43 C ATOM 0 H LEU A 85 22.185 -11.579 5.881 1.00 1.42 H new ATOM 0 HA LEU A 85 19.603 -10.956 6.946 1.00 21.33 H new ATOM 0 HB2 LEU A 85 21.381 -9.474 5.741 1.00 35.44 H new ATOM 0 HB3 LEU A 85 20.700 -10.114 4.259 1.00 35.44 H new ATOM 0 HG LEU A 85 18.566 -9.150 5.937 1.00 40.02 H new ATOM 0 HD11 LEU A 85 19.161 -6.759 5.957 1.00 25.42 H new ATOM 0 HD12 LEU A 85 20.264 -7.722 6.968 1.00 25.42 H new ATOM 0 HD13 LEU A 85 20.789 -7.163 5.362 1.00 25.42 H new ATOM 0 HD21 LEU A 85 18.110 -7.753 3.959 1.00 43.43 H new ATOM 0 HD22 LEU A 85 19.696 -8.196 3.286 1.00 43.43 H new ATOM 0 HD23 LEU A 85 18.445 -9.442 3.511 1.00 43.43 H new ATOM 1345 N TYR A 86 19.802 -12.695 4.150 1.00 52.24 N ATOM 1346 CA TYR A 86 19.041 -13.544 3.241 1.00 73.53 C ATOM 1347 C TYR A 86 18.202 -14.557 4.014 1.00 3.35 C ATOM 1348 O TYR A 86 17.004 -14.703 3.769 1.00 62.43 O ATOM 1349 CB TYR A 86 19.983 -14.273 2.281 1.00 12.43 C ATOM 1350 CG TYR A 86 19.296 -15.327 1.442 1.00 20.14 C ATOM 1351 CD1 TYR A 86 18.565 -14.977 0.314 1.00 3.25 C ATOM 1352 CD2 TYR A 86 19.381 -16.673 1.776 1.00 64.32 C ATOM 1353 CE1 TYR A 86 17.935 -15.935 -0.456 1.00 3.51 C ATOM 1354 CE2 TYR A 86 18.754 -17.639 1.012 1.00 35.24 C ATOM 1355 CZ TYR A 86 18.033 -17.265 -0.103 1.00 54.53 C ATOM 1356 OH TYR A 86 17.409 -18.223 -0.867 1.00 42.43 O ATOM 0 H TYR A 86 20.802 -12.656 3.953 1.00 52.24 H new ATOM 0 HA TYR A 86 18.369 -12.906 2.667 1.00 73.53 H new ATOM 0 HB2 TYR A 86 20.451 -13.543 1.621 1.00 12.43 H new ATOM 0 HB3 TYR A 86 20.782 -14.742 2.855 1.00 12.43 H new ATOM 0 HD1 TYR A 86 18.488 -13.937 0.034 1.00 3.25 H new ATOM 0 HD2 TYR A 86 19.946 -16.969 2.647 1.00 64.32 H new ATOM 0 HE1 TYR A 86 17.369 -15.645 -1.329 1.00 3.51 H new ATOM 0 HE2 TYR A 86 18.828 -18.681 1.286 1.00 35.24 H new ATOM 0 HH TYR A 86 17.577 -19.109 -0.483 1.00 42.43 H new ATOM 1366 N CYS A 87 18.839 -15.251 4.950 1.00 31.03 N ATOM 1367 CA CYS A 87 18.153 -16.251 5.761 1.00 23.13 C ATOM 1368 C CYS A 87 16.895 -15.665 6.396 1.00 33.12 C ATOM 1369 O CYS A 87 15.876 -16.343 6.519 1.00 64.12 O ATOM 1370 CB CYS A 87 19.087 -16.784 6.848 1.00 20.23 C ATOM 1371 SG CYS A 87 20.194 -18.101 6.290 1.00 25.20 S ATOM 0 H CYS A 87 19.830 -15.140 5.166 1.00 31.03 H new ATOM 0 HA CYS A 87 17.860 -17.074 5.109 1.00 23.13 H new ATOM 0 HB2 CYS A 87 19.686 -15.959 7.233 1.00 20.23 H new ATOM 0 HB3 CYS A 87 18.486 -17.156 7.678 1.00 20.23 H new ATOM 0 HG CYS A 87 20.630 -18.766 7.318 1.00 25.20 H new ATOM 1377 N VAL A 88 16.977 -14.401 6.801 1.00 62.55 N ATOM 1378 CA VAL A 88 15.845 -13.724 7.424 1.00 34.44 C ATOM 1379 C VAL A 88 14.672 -13.613 6.458 1.00 4.13 C ATOM 1380 O VAL A 88 13.513 -13.732 6.857 1.00 71.05 O ATOM 1381 CB VAL A 88 16.234 -12.314 7.909 1.00 63.13 C ATOM 1382 CG1 VAL A 88 15.105 -11.700 8.721 1.00 22.23 C ATOM 1383 CG2 VAL A 88 17.519 -12.365 8.720 1.00 52.32 C ATOM 0 H VAL A 88 17.814 -13.826 6.709 1.00 62.55 H new ATOM 0 HA VAL A 88 15.548 -14.326 8.282 1.00 34.44 H new ATOM 0 HB VAL A 88 16.408 -11.683 7.037 1.00 63.13 H new ATOM 0 HG11 VAL A 88 15.397 -10.705 9.055 1.00 22.23 H new ATOM 0 HG12 VAL A 88 14.210 -11.627 8.103 1.00 22.23 H new ATOM 0 HG13 VAL A 88 14.897 -12.327 9.588 1.00 22.23 H new ATOM 0 HG21 VAL A 88 17.778 -11.360 9.054 1.00 52.32 H new ATOM 0 HG22 VAL A 88 17.377 -13.010 9.587 1.00 52.32 H new ATOM 0 HG23 VAL A 88 18.324 -12.761 8.101 1.00 52.32 H new ATOM 1393 N HIS A 89 14.979 -13.382 5.186 1.00 71.34 N ATOM 1394 CA HIS A 89 13.949 -13.255 4.160 1.00 31.13 C ATOM 1395 C HIS A 89 13.385 -14.623 3.785 1.00 5.42 C ATOM 1396 O HIS A 89 12.264 -14.652 3.279 1.00 11.23 O ATOM 1397 CB HIS A 89 14.517 -12.568 2.918 1.00 72.12 C ATOM 1398 CG HIS A 89 14.919 -11.144 3.153 1.00 72.12 C ATOM 1399 ND1 HIS A 89 14.374 -10.363 4.149 1.00 23.31 N ATOM 1400 CD2 HIS A 89 15.819 -10.360 2.512 1.00 3.50 C ATOM 1401 CE1 HIS A 89 14.920 -9.160 4.112 1.00 52.11 C ATOM 1402 NE2 HIS A 89 15.802 -9.134 3.128 1.00 62.25 N ATOM 0 H HIS A 89 15.933 -13.279 4.840 1.00 71.34 H new ATOM 0 HA HIS A 89 13.141 -12.646 4.565 1.00 31.13 H new ATOM 0 HB2 HIS A 89 15.383 -13.128 2.567 1.00 72.12 H new ATOM 0 HB3 HIS A 89 13.773 -12.600 2.122 1.00 72.12 H new ATOM 0 HD1 HIS A 89 13.660 -10.666 4.812 1.00 23.31 H new ATOM 0 HD2 HIS A 89 16.435 -10.647 1.673 1.00 3.50 H new ATOM 0 HE1 HIS A 89 14.686 -8.339 4.773 1.00 52.11 H new ATOM 0 HE2 HIS A 89 16.377 -8.332 2.869 1.00 62.25 H new ATOM 1411 N GLN A 90 14.107 -15.716 4.013 1.00 63.00 N ATOM 1412 CA GLN A 90 13.609 -17.043 3.671 1.00 61.15 C ATOM 1413 C GLN A 90 12.965 -17.712 4.881 1.00 30.10 C ATOM 1414 O GLN A 90 12.918 -18.938 4.972 1.00 50.24 O ATOM 1415 CB GLN A 90 14.747 -17.916 3.136 1.00 25.34 C ATOM 1416 CG GLN A 90 15.134 -17.598 1.701 1.00 61.44 C ATOM 1417 CD GLN A 90 14.098 -18.069 0.700 1.00 74.24 C ATOM 1418 OE1 GLN A 90 14.112 -19.223 0.272 1.00 60.22 O ATOM 1419 NE2 GLN A 90 13.192 -17.175 0.320 1.00 75.42 N ATOM 0 H GLN A 90 15.037 -15.709 4.432 1.00 63.00 H new ATOM 0 HA GLN A 90 12.851 -16.930 2.896 1.00 61.15 H new ATOM 0 HB2 GLN A 90 15.621 -17.791 3.775 1.00 25.34 H new ATOM 0 HB3 GLN A 90 14.452 -18.963 3.200 1.00 25.34 H new ATOM 0 HG2 GLN A 90 15.273 -16.522 1.596 1.00 61.44 H new ATOM 0 HG3 GLN A 90 16.092 -18.066 1.475 1.00 61.44 H new ATOM 0 HE21 GLN A 90 13.218 -16.229 0.701 1.00 75.42 H new ATOM 0 HE22 GLN A 90 12.470 -17.434 -0.352 1.00 75.42 H new ATOM 1428 N ARG A 91 12.471 -16.897 5.807 1.00 40.34 N ATOM 1429 CA ARG A 91 11.832 -17.411 7.013 1.00 62.33 C ATOM 1430 C ARG A 91 12.773 -18.340 7.775 1.00 62.43 C ATOM 1431 O ARG A 91 12.330 -19.242 8.484 1.00 45.44 O ATOM 1432 CB ARG A 91 10.544 -18.153 6.655 1.00 45.43 C ATOM 1433 CG ARG A 91 9.411 -17.919 7.643 1.00 62.51 C ATOM 1434 CD ARG A 91 8.642 -16.648 7.316 1.00 2.43 C ATOM 1435 NE ARG A 91 7.651 -16.331 8.340 1.00 24.34 N ATOM 1436 CZ ARG A 91 7.946 -15.737 9.491 1.00 14.42 C ATOM 1437 NH1 ARG A 91 9.199 -15.399 9.763 1.00 35.31 N ATOM 1438 NH2 ARG A 91 6.989 -15.481 10.373 1.00 52.42 N ATOM 0 H ARG A 91 12.501 -15.879 5.746 1.00 40.34 H new ATOM 0 HA ARG A 91 11.589 -16.564 7.655 1.00 62.33 H new ATOM 0 HB2 ARG A 91 10.219 -17.841 5.662 1.00 45.43 H new ATOM 0 HB3 ARG A 91 10.753 -19.221 6.601 1.00 45.43 H new ATOM 0 HG2 ARG A 91 8.731 -18.771 7.628 1.00 62.51 H new ATOM 0 HG3 ARG A 91 9.815 -17.852 8.653 1.00 62.51 H new ATOM 0 HD2 ARG A 91 9.340 -15.817 7.217 1.00 2.43 H new ATOM 0 HD3 ARG A 91 8.145 -16.763 6.353 1.00 2.43 H new ATOM 0 HE ARG A 91 6.678 -16.579 8.162 1.00 24.34 H new ATOM 0 HH11 ARG A 91 9.938 -15.595 9.088 1.00 35.31 H new ATOM 0 HH12 ARG A 91 9.424 -14.943 10.647 1.00 35.31 H new ATOM 0 HH21 ARG A 91 6.024 -15.740 10.168 1.00 52.42 H new ATOM 0 HH22 ARG A 91 7.218 -15.025 11.256 1.00 52.42 H new ATOM 1452 N ILE A 92 14.073 -18.112 7.621 1.00 21.00 N ATOM 1453 CA ILE A 92 15.075 -18.928 8.294 1.00 14.01 C ATOM 1454 C ILE A 92 15.587 -18.240 9.556 1.00 53.45 C ATOM 1455 O ILE A 92 16.109 -17.127 9.500 1.00 54.31 O ATOM 1456 CB ILE A 92 16.268 -19.231 7.368 1.00 12.23 C ATOM 1457 CG1 ILE A 92 15.775 -19.736 6.012 1.00 62.03 C ATOM 1458 CG2 ILE A 92 17.195 -20.250 8.014 1.00 5.21 C ATOM 1459 CD1 ILE A 92 16.891 -20.042 5.037 1.00 24.13 C ATOM 0 H ILE A 92 14.456 -17.369 7.036 1.00 21.00 H new ATOM 0 HA ILE A 92 14.589 -19.865 8.566 1.00 14.01 H new ATOM 0 HB ILE A 92 16.828 -18.309 7.209 1.00 12.23 H new ATOM 0 HG12 ILE A 92 15.179 -20.636 6.164 1.00 62.03 H new ATOM 0 HG13 ILE A 92 15.115 -18.988 5.573 1.00 62.03 H new ATOM 0 HG21 ILE A 92 18.033 -20.454 7.347 1.00 5.21 H new ATOM 0 HG22 ILE A 92 17.570 -19.854 8.958 1.00 5.21 H new ATOM 0 HG23 ILE A 92 16.647 -21.174 8.200 1.00 5.21 H new ATOM 0 HD11 ILE A 92 16.466 -20.395 4.097 1.00 24.13 H new ATOM 0 HD12 ILE A 92 17.473 -19.139 4.855 1.00 24.13 H new ATOM 0 HD13 ILE A 92 17.538 -20.813 5.455 1.00 24.13 H new ATOM 1471 N ASP A 93 15.434 -18.912 10.692 1.00 60.30 N ATOM 1472 CA ASP A 93 15.883 -18.367 11.967 1.00 4.43 C ATOM 1473 C ASP A 93 17.300 -18.832 12.289 1.00 70.32 C ATOM 1474 O ASP A 93 17.631 -20.006 12.127 1.00 53.54 O ATOM 1475 CB ASP A 93 14.930 -18.786 13.088 1.00 52.54 C ATOM 1476 CG ASP A 93 13.568 -18.133 12.965 1.00 2.04 C ATOM 1477 OD1 ASP A 93 13.501 -16.991 12.463 1.00 34.14 O ATOM 1478 OD2 ASP A 93 12.568 -18.762 13.370 1.00 12.24 O ATOM 0 H ASP A 93 15.003 -19.834 10.755 1.00 60.30 H new ATOM 0 HA ASP A 93 15.886 -17.280 11.888 1.00 4.43 H new ATOM 0 HB2 ASP A 93 14.813 -19.870 13.075 1.00 52.54 H new ATOM 0 HB3 ASP A 93 15.369 -18.525 14.051 1.00 52.54 H new ATOM 1483 N VAL A 94 18.133 -17.901 12.742 1.00 11.13 N ATOM 1484 CA VAL A 94 19.516 -18.214 13.085 1.00 1.12 C ATOM 1485 C VAL A 94 19.924 -17.543 14.391 1.00 25.45 C ATOM 1486 O VAL A 94 19.202 -16.696 14.919 1.00 44.01 O ATOM 1487 CB VAL A 94 20.484 -17.776 11.971 1.00 13.11 C ATOM 1488 CG1 VAL A 94 20.240 -18.581 10.703 1.00 2.24 C ATOM 1489 CG2 VAL A 94 20.345 -16.285 11.700 1.00 1.35 C ATOM 0 H VAL A 94 17.875 -16.924 12.880 1.00 11.13 H new ATOM 0 HA VAL A 94 19.575 -19.296 13.202 1.00 1.12 H new ATOM 0 HB VAL A 94 21.504 -17.969 12.304 1.00 13.11 H new ATOM 0 HG11 VAL A 94 20.934 -18.257 9.927 1.00 2.24 H new ATOM 0 HG12 VAL A 94 20.395 -19.640 10.909 1.00 2.24 H new ATOM 0 HG13 VAL A 94 19.216 -18.423 10.363 1.00 2.24 H new ATOM 0 HG21 VAL A 94 21.037 -15.993 10.910 1.00 1.35 H new ATOM 0 HG22 VAL A 94 19.324 -16.066 11.388 1.00 1.35 H new ATOM 0 HG23 VAL A 94 20.575 -15.727 12.608 1.00 1.35 H new ATOM 1499 N LYS A 95 21.086 -17.923 14.909 1.00 55.04 N ATOM 1500 CA LYS A 95 21.593 -17.358 16.153 1.00 30.41 C ATOM 1501 C LYS A 95 22.891 -16.592 15.914 1.00 24.53 C ATOM 1502 O LYS A 95 23.226 -15.672 16.660 1.00 22.12 O ATOM 1503 CB LYS A 95 21.826 -18.465 17.184 1.00 23.11 C ATOM 1504 CG LYS A 95 20.545 -19.121 17.670 1.00 54.35 C ATOM 1505 CD LYS A 95 19.983 -18.413 18.891 1.00 34.45 C ATOM 1506 CE LYS A 95 18.579 -17.890 18.635 1.00 22.35 C ATOM 1507 NZ LYS A 95 18.172 -16.875 19.646 1.00 11.12 N ATOM 0 H LYS A 95 21.696 -18.622 14.485 1.00 55.04 H new ATOM 0 HA LYS A 95 20.846 -16.663 16.537 1.00 30.41 H new ATOM 0 HB2 LYS A 95 22.472 -19.227 16.747 1.00 23.11 H new ATOM 0 HB3 LYS A 95 22.358 -18.048 18.039 1.00 23.11 H new ATOM 0 HG2 LYS A 95 19.805 -19.112 16.870 1.00 54.35 H new ATOM 0 HG3 LYS A 95 20.740 -20.166 17.912 1.00 54.35 H new ATOM 0 HD2 LYS A 95 19.968 -19.101 19.737 1.00 34.45 H new ATOM 0 HD3 LYS A 95 20.636 -17.585 19.165 1.00 34.45 H new ATOM 0 HE2 LYS A 95 18.532 -17.450 17.639 1.00 22.35 H new ATOM 0 HE3 LYS A 95 17.874 -18.721 18.650 1.00 22.35 H new ATOM 0 HZ1 LYS A 95 17.209 -16.543 19.437 1.00 11.12 H new ATOM 0 HZ2 LYS A 95 18.193 -17.302 20.594 1.00 11.12 H new ATOM 0 HZ3 LYS A 95 18.830 -16.070 19.614 1.00 11.12 H new ATOM 1521 N ASP A 96 23.613 -16.974 14.868 1.00 35.40 N ATOM 1522 CA ASP A 96 24.872 -16.321 14.528 1.00 54.31 C ATOM 1523 C ASP A 96 25.223 -16.546 13.060 1.00 24.33 C ATOM 1524 O ASP A 96 24.517 -17.256 12.344 1.00 54.14 O ATOM 1525 CB ASP A 96 26.000 -16.844 15.420 1.00 75.35 C ATOM 1526 CG ASP A 96 26.160 -18.349 15.329 1.00 41.12 C ATOM 1527 OD1 ASP A 96 26.427 -18.851 14.217 1.00 54.31 O ATOM 1528 OD2 ASP A 96 26.017 -19.024 16.370 1.00 35.52 O ATOM 0 H ASP A 96 23.349 -17.733 14.240 1.00 35.40 H new ATOM 0 HA ASP A 96 24.753 -15.250 14.695 1.00 54.31 H new ATOM 0 HB2 ASP A 96 26.936 -16.364 15.135 1.00 75.35 H new ATOM 0 HB3 ASP A 96 25.800 -16.565 16.455 1.00 75.35 H new ATOM 1533 N THR A 97 26.317 -15.934 12.617 1.00 3.32 N ATOM 1534 CA THR A 97 26.761 -16.065 11.235 1.00 45.34 C ATOM 1535 C THR A 97 27.045 -17.522 10.885 1.00 22.41 C ATOM 1536 O THR A 97 26.725 -17.981 9.788 1.00 23.30 O ATOM 1537 CB THR A 97 28.026 -15.229 10.969 1.00 20.51 C ATOM 1538 OG1 THR A 97 27.758 -13.843 11.217 1.00 53.40 O ATOM 1539 CG2 THR A 97 28.502 -15.410 9.536 1.00 12.23 C ATOM 0 H THR A 97 26.912 -15.342 13.196 1.00 3.32 H new ATOM 0 HA THR A 97 25.951 -15.694 10.607 1.00 45.34 H new ATOM 0 HB THR A 97 28.811 -15.573 11.642 1.00 20.51 H new ATOM 0 HG1 THR A 97 28.549 -13.423 11.615 1.00 53.40 H new ATOM 0 HG21 THR A 97 29.397 -14.810 9.371 1.00 12.23 H new ATOM 0 HG22 THR A 97 28.732 -16.461 9.359 1.00 12.23 H new ATOM 0 HG23 THR A 97 27.719 -15.089 8.849 1.00 12.23 H new ATOM 1547 N LYS A 98 27.647 -18.244 11.823 1.00 73.50 N ATOM 1548 CA LYS A 98 27.974 -19.650 11.615 1.00 22.10 C ATOM 1549 C LYS A 98 26.732 -20.444 11.223 1.00 72.32 C ATOM 1550 O LYS A 98 26.745 -21.189 10.243 1.00 32.12 O ATOM 1551 CB LYS A 98 28.593 -20.244 12.881 1.00 11.52 C ATOM 1552 CG LYS A 98 29.659 -21.289 12.605 1.00 52.43 C ATOM 1553 CD LYS A 98 29.491 -22.507 13.498 1.00 43.11 C ATOM 1554 CE LYS A 98 30.751 -23.358 13.524 1.00 53.13 C ATOM 1555 NZ LYS A 98 30.447 -24.806 13.347 1.00 33.04 N ATOM 0 H LYS A 98 27.919 -17.879 12.736 1.00 73.50 H new ATOM 0 HA LYS A 98 28.697 -19.713 10.801 1.00 22.10 H new ATOM 0 HB2 LYS A 98 29.029 -19.440 13.473 1.00 11.52 H new ATOM 0 HB3 LYS A 98 27.804 -20.693 13.485 1.00 11.52 H new ATOM 0 HG2 LYS A 98 29.609 -21.594 11.560 1.00 52.43 H new ATOM 0 HG3 LYS A 98 30.646 -20.854 12.763 1.00 52.43 H new ATOM 0 HD2 LYS A 98 29.247 -22.186 14.511 1.00 43.11 H new ATOM 0 HD3 LYS A 98 28.653 -23.107 13.143 1.00 43.11 H new ATOM 0 HE2 LYS A 98 31.427 -23.030 12.735 1.00 53.13 H new ATOM 0 HE3 LYS A 98 31.270 -23.209 14.471 1.00 53.13 H new ATOM 0 HZ1 LYS A 98 31.332 -25.352 13.371 1.00 33.04 H new ATOM 0 HZ2 LYS A 98 29.822 -25.126 14.114 1.00 33.04 H new ATOM 0 HZ3 LYS A 98 29.974 -24.952 12.432 1.00 33.04 H new ATOM 1569 N GLU A 99 25.661 -20.279 11.993 1.00 53.33 N ATOM 1570 CA GLU A 99 24.412 -20.981 11.725 1.00 74.05 C ATOM 1571 C GLU A 99 23.847 -20.585 10.364 1.00 41.40 C ATOM 1572 O GLU A 99 23.439 -21.438 9.578 1.00 72.43 O ATOM 1573 CB GLU A 99 23.388 -20.683 12.821 1.00 42.44 C ATOM 1574 CG GLU A 99 22.930 -21.918 13.578 1.00 45.14 C ATOM 1575 CD GLU A 99 21.509 -21.793 14.095 1.00 20.13 C ATOM 1576 OE1 GLU A 99 21.207 -20.782 14.762 1.00 12.02 O ATOM 1577 OE2 GLU A 99 20.700 -22.706 13.830 1.00 45.53 O ATOM 0 H GLU A 99 25.634 -19.665 12.807 1.00 53.33 H new ATOM 0 HA GLU A 99 24.621 -22.051 11.715 1.00 74.05 H new ATOM 0 HB2 GLU A 99 23.820 -19.974 13.527 1.00 42.44 H new ATOM 0 HB3 GLU A 99 22.520 -20.199 12.374 1.00 42.44 H new ATOM 0 HG2 GLU A 99 22.999 -22.787 12.924 1.00 45.14 H new ATOM 0 HG3 GLU A 99 23.603 -22.096 14.417 1.00 45.14 H new ATOM 1584 N ALA A 100 23.826 -19.284 10.095 1.00 12.02 N ATOM 1585 CA ALA A 100 23.313 -18.773 8.830 1.00 70.05 C ATOM 1586 C ALA A 100 24.066 -19.375 7.649 1.00 52.43 C ATOM 1587 O ALA A 100 23.459 -19.855 6.691 1.00 60.42 O ATOM 1588 CB ALA A 100 23.404 -17.255 8.797 1.00 23.12 C ATOM 0 H ALA A 100 24.159 -18.564 10.737 1.00 12.02 H new ATOM 0 HA ALA A 100 22.266 -19.065 8.747 1.00 70.05 H new ATOM 0 HB1 ALA A 100 23.017 -16.888 7.846 1.00 23.12 H new ATOM 0 HB2 ALA A 100 22.815 -16.837 9.614 1.00 23.12 H new ATOM 0 HB3 ALA A 100 24.445 -16.950 8.907 1.00 23.12 H new ATOM 1594 N LEU A 101 25.392 -19.347 7.723 1.00 73.44 N ATOM 1595 CA LEU A 101 26.230 -19.890 6.659 1.00 72.24 C ATOM 1596 C LEU A 101 26.037 -21.399 6.529 1.00 24.55 C ATOM 1597 O LEU A 101 26.127 -21.953 5.434 1.00 50.41 O ATOM 1598 CB LEU A 101 27.702 -19.574 6.928 1.00 4.35 C ATOM 1599 CG LEU A 101 28.505 -19.049 5.739 1.00 35.31 C ATOM 1600 CD1 LEU A 101 28.516 -20.068 4.611 1.00 53.22 C ATOM 1601 CD2 LEU A 101 27.937 -17.722 5.256 1.00 31.12 C ATOM 0 H LEU A 101 25.910 -18.954 8.509 1.00 73.44 H new ATOM 0 HA LEU A 101 25.931 -19.422 5.721 1.00 72.24 H new ATOM 0 HB2 LEU A 101 27.754 -18.837 7.729 1.00 4.35 H new ATOM 0 HB3 LEU A 101 28.186 -20.479 7.296 1.00 4.35 H new ATOM 0 HG LEU A 101 29.533 -18.885 6.063 1.00 35.31 H new ATOM 0 HD11 LEU A 101 29.093 -19.677 3.773 1.00 53.22 H new ATOM 0 HD12 LEU A 101 28.970 -20.995 4.962 1.00 53.22 H new ATOM 0 HD13 LEU A 101 27.494 -20.264 4.288 1.00 53.22 H new ATOM 0 HD21 LEU A 101 28.521 -17.363 4.409 1.00 31.12 H new ATOM 0 HD22 LEU A 101 26.900 -17.860 4.949 1.00 31.12 H new ATOM 0 HD23 LEU A 101 27.982 -16.991 6.064 1.00 31.12 H new ATOM 1613 N ASP A 102 25.770 -22.053 7.653 1.00 40.42 N ATOM 1614 CA ASP A 102 25.561 -23.496 7.666 1.00 41.23 C ATOM 1615 C ASP A 102 24.305 -23.870 6.885 1.00 15.12 C ATOM 1616 O ASP A 102 24.319 -24.795 6.072 1.00 51.40 O ATOM 1617 CB ASP A 102 25.452 -24.005 9.105 1.00 60.34 C ATOM 1618 CG ASP A 102 26.708 -24.717 9.565 1.00 34.54 C ATOM 1619 OD1 ASP A 102 27.212 -25.577 8.813 1.00 52.24 O ATOM 1620 OD2 ASP A 102 27.190 -24.412 10.675 1.00 30.22 O ATOM 0 H ASP A 102 25.693 -21.607 8.567 1.00 40.42 H new ATOM 0 HA ASP A 102 26.419 -23.967 7.187 1.00 41.23 H new ATOM 0 HB2 ASP A 102 25.250 -23.165 9.770 1.00 60.34 H new ATOM 0 HB3 ASP A 102 24.603 -24.685 9.183 1.00 60.34 H new ATOM 1625 N LYS A 103 23.220 -23.147 7.137 1.00 64.52 N ATOM 1626 CA LYS A 103 21.955 -23.401 6.458 1.00 65.52 C ATOM 1627 C LYS A 103 22.115 -23.276 4.947 1.00 64.55 C ATOM 1628 O LYS A 103 21.800 -24.205 4.201 1.00 14.32 O ATOM 1629 CB LYS A 103 20.883 -22.426 6.951 1.00 53.23 C ATOM 1630 CG LYS A 103 19.465 -22.945 6.782 1.00 11.12 C ATOM 1631 CD LYS A 103 18.920 -23.511 8.083 1.00 73.41 C ATOM 1632 CE LYS A 103 17.721 -24.415 7.838 1.00 15.54 C ATOM 1633 NZ LYS A 103 16.507 -23.933 8.552 1.00 30.41 N ATOM 0 H LYS A 103 23.191 -22.379 7.808 1.00 64.52 H new ATOM 0 HA LYS A 103 21.645 -24.420 6.690 1.00 65.52 H new ATOM 0 HB2 LYS A 103 21.058 -22.209 8.005 1.00 53.23 H new ATOM 0 HB3 LYS A 103 20.983 -21.485 6.410 1.00 53.23 H new ATOM 0 HG2 LYS A 103 18.820 -22.137 6.437 1.00 11.12 H new ATOM 0 HG3 LYS A 103 19.448 -23.717 6.013 1.00 11.12 H new ATOM 0 HD2 LYS A 103 19.703 -24.073 8.593 1.00 73.41 H new ATOM 0 HD3 LYS A 103 18.632 -22.694 8.744 1.00 73.41 H new ATOM 0 HE2 LYS A 103 17.517 -24.465 6.768 1.00 15.54 H new ATOM 0 HE3 LYS A 103 17.957 -25.427 8.166 1.00 15.54 H new ATOM 0 HZ1 LYS A 103 15.872 -24.736 8.738 1.00 30.41 H new ATOM 0 HZ2 LYS A 103 16.785 -23.495 9.453 1.00 30.41 H new ATOM 0 HZ3 LYS A 103 16.014 -23.231 7.964 1.00 30.41 H new ATOM 1647 N ILE A 104 22.605 -22.124 4.501 1.00 50.23 N ATOM 1648 CA ILE A 104 22.808 -21.881 3.079 1.00 75.54 C ATOM 1649 C ILE A 104 23.752 -22.914 2.472 1.00 13.41 C ATOM 1650 O ILE A 104 23.666 -23.227 1.285 1.00 1.51 O ATOM 1651 CB ILE A 104 23.376 -20.471 2.824 1.00 54.25 C ATOM 1652 CG1 ILE A 104 22.441 -19.409 3.404 1.00 72.41 C ATOM 1653 CG2 ILE A 104 23.585 -20.246 1.334 1.00 1.00 C ATOM 1654 CD1 ILE A 104 23.087 -18.048 3.547 1.00 53.54 C ATOM 0 H ILE A 104 22.869 -21.345 5.104 1.00 50.23 H new ATOM 0 HA ILE A 104 21.831 -21.963 2.603 1.00 75.54 H new ATOM 0 HB ILE A 104 24.342 -20.388 3.322 1.00 54.25 H new ATOM 0 HG12 ILE A 104 21.564 -19.320 2.764 1.00 72.41 H new ATOM 0 HG13 ILE A 104 22.090 -19.740 4.381 1.00 72.41 H new ATOM 0 HG21 ILE A 104 23.986 -19.246 1.170 1.00 1.00 H new ATOM 0 HG22 ILE A 104 24.286 -20.986 0.949 1.00 1.00 H new ATOM 0 HG23 ILE A 104 22.632 -20.344 0.814 1.00 1.00 H new ATOM 0 HD11 ILE A 104 22.366 -17.345 3.964 1.00 53.54 H new ATOM 0 HD12 ILE A 104 23.948 -18.122 4.211 1.00 53.54 H new ATOM 0 HD13 ILE A 104 23.413 -17.695 2.569 1.00 53.54 H new