USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 794 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 56 THR OG1 : rot 170:sc= -1.41 USER MOD Set 1.2: A 59 GLN :FLIP amide:sc= -0.937 F(o=-5,f=-2.3) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -24:sc= -0.0923 USER MOD Single : A 17 SER OG : rot -73:sc= 1.23 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0039) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0316 K(o=-0.032,f=-1.5) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.55 K(o=-1.5,f=-2.6) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -68:sc= 0.946 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.855 K(o=-0.85,f=-5.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 150:sc= -0.57 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 80:sc= 1.16 USER MOD Single : A 88 LYS NZ :NH3+ -142:sc= -0.0698 (180deg=-1.07) USER MOD Single : A 97 ASN : amide:sc= -0.333 K(o=-0.33,f=-4.2!) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 127:sc= 0.543 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 108 ASN : amide:sc=0.000773 X(o=0.00077,f=-0.021) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot -60:sc= -1.48 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N ASP A 8 -4.801 10.773 4.419 1.00 4.22 N ATOM 78 CA ASP A 8 -5.082 9.468 3.831 1.00 15.53 C ATOM 79 C ASP A 8 -4.059 8.434 4.289 1.00 10.41 C ATOM 80 O ASP A 8 -4.329 7.233 4.276 1.00 5.35 O ATOM 81 CB ASP A 8 -5.083 9.563 2.305 1.00 70.01 C ATOM 82 CG ASP A 8 -6.484 9.550 1.724 1.00 14.22 C ATOM 83 OD1 ASP A 8 -6.890 8.505 1.175 1.00 62.00 O ATOM 84 OD2 ASP A 8 -7.175 10.586 1.820 1.00 23.14 O ATOM 0 HA ASP A 8 -6.068 9.149 4.168 1.00 15.53 H new ATOM 0 HB2 ASP A 8 -4.575 10.478 2.001 1.00 70.01 H new ATOM 0 HB3 ASP A 8 -4.514 8.730 1.892 1.00 70.01 H new ATOM 89 N TRP A 9 -2.886 8.909 4.691 1.00 64.14 N ATOM 90 CA TRP A 9 -1.821 8.024 5.152 1.00 10.33 C ATOM 91 C TRP A 9 -2.133 7.473 6.538 1.00 31.04 C ATOM 92 O TRP A 9 -2.337 6.271 6.709 1.00 64.35 O ATOM 93 CB TRP A 9 -0.485 8.769 5.174 1.00 13.22 C ATOM 94 CG TRP A 9 0.621 7.985 5.814 1.00 51.34 C ATOM 95 CD1 TRP A 9 1.332 8.330 6.928 1.00 55.44 C ATOM 96 CD2 TRP A 9 1.143 6.726 5.375 1.00 20.41 C ATOM 97 NE1 TRP A 9 2.265 7.360 7.208 1.00 4.54 N ATOM 98 CE2 TRP A 9 2.168 6.366 6.271 1.00 31.23 C ATOM 99 CE3 TRP A 9 0.842 5.867 4.316 1.00 72.53 C ATOM 100 CZ2 TRP A 9 2.894 5.185 6.137 1.00 52.41 C ATOM 101 CZ3 TRP A 9 1.563 4.695 4.183 1.00 21.35 C ATOM 102 CH2 TRP A 9 2.578 4.362 5.090 1.00 12.50 C ATOM 0 H TRP A 9 -2.648 9.901 4.707 1.00 64.14 H new ATOM 0 HA TRP A 9 -1.751 7.187 4.457 1.00 10.33 H new ATOM 0 HB2 TRP A 9 -0.200 9.019 4.152 1.00 13.22 H new ATOM 0 HB3 TRP A 9 -0.611 9.710 5.709 1.00 13.22 H new ATOM 0 HD1 TRP A 9 1.183 9.232 7.504 1.00 55.44 H new ATOM 0 HE1 TRP A 9 2.923 7.378 7.987 1.00 4.54 H new ATOM 0 HE3 TRP A 9 0.060 6.114 3.613 1.00 72.53 H new ATOM 0 HZ2 TRP A 9 3.678 4.928 6.834 1.00 52.41 H new ATOM 0 HZ3 TRP A 9 1.340 4.025 3.366 1.00 21.35 H new ATOM 0 HH2 TRP A 9 3.122 3.438 4.960 1.00 12.50 H new ATOM 113 N LYS A 10 -2.172 8.359 7.528 1.00 45.23 N ATOM 114 CA LYS A 10 -2.461 7.962 8.901 1.00 23.12 C ATOM 115 C LYS A 10 -3.851 7.344 9.007 1.00 22.51 C ATOM 116 O LYS A 10 -4.074 6.429 9.799 1.00 51.22 O ATOM 117 CB LYS A 10 -2.355 9.169 9.836 1.00 54.53 C ATOM 118 CG LYS A 10 -1.276 9.026 10.895 1.00 73.10 C ATOM 119 CD LYS A 10 -1.231 10.236 11.812 1.00 3.44 C ATOM 120 CE LYS A 10 -0.946 9.835 13.251 1.00 20.01 C ATOM 121 NZ LYS A 10 -1.406 10.871 14.218 1.00 73.22 N ATOM 0 H LYS A 10 -2.007 9.358 7.405 1.00 45.23 H new ATOM 0 HA LYS A 10 -1.726 7.214 9.199 1.00 23.12 H new ATOM 0 HB2 LYS A 10 -2.154 10.061 9.243 1.00 54.53 H new ATOM 0 HB3 LYS A 10 -3.316 9.323 10.327 1.00 54.53 H new ATOM 0 HG2 LYS A 10 -1.461 8.128 11.485 1.00 73.10 H new ATOM 0 HG3 LYS A 10 -0.307 8.897 10.413 1.00 73.10 H new ATOM 0 HD2 LYS A 10 -0.462 10.927 11.467 1.00 3.44 H new ATOM 0 HD3 LYS A 10 -2.182 10.767 11.763 1.00 3.44 H new ATOM 0 HE2 LYS A 10 -1.442 8.889 13.469 1.00 20.01 H new ATOM 0 HE3 LYS A 10 0.124 9.671 13.377 1.00 20.01 H new ATOM 0 HZ1 LYS A 10 -1.194 10.560 15.187 1.00 73.22 H new ATOM 0 HZ2 LYS A 10 -0.914 11.767 14.027 1.00 73.22 H new ATOM 0 HZ3 LYS A 10 -2.432 11.010 14.116 1.00 73.22 H new ATOM 135 N MET A 11 -4.781 7.849 8.204 1.00 5.50 N ATOM 136 CA MET A 11 -6.149 7.344 8.206 1.00 75.22 C ATOM 137 C MET A 11 -6.204 5.922 7.656 1.00 13.33 C ATOM 138 O MET A 11 -6.927 5.073 8.177 1.00 62.24 O ATOM 139 CB MET A 11 -7.055 8.258 7.379 1.00 25.24 C ATOM 140 CG MET A 11 -8.537 8.044 7.642 1.00 4.15 C ATOM 141 SD MET A 11 -9.517 9.527 7.342 1.00 1.31 S ATOM 142 CE MET A 11 -9.652 9.490 5.557 1.00 72.33 C ATOM 0 H MET A 11 -4.613 8.608 7.543 1.00 5.50 H new ATOM 0 HA MET A 11 -6.503 7.331 9.237 1.00 75.22 H new ATOM 0 HB2 MET A 11 -6.803 9.297 7.593 1.00 25.24 H new ATOM 0 HB3 MET A 11 -6.855 8.093 6.320 1.00 25.24 H new ATOM 0 HG2 MET A 11 -8.902 7.237 7.006 1.00 4.15 H new ATOM 0 HG3 MET A 11 -8.676 7.724 8.675 1.00 4.15 H new ATOM 0 HE1 MET A 11 -10.233 10.348 5.218 1.00 72.33 H new ATOM 0 HE2 MET A 11 -8.656 9.530 5.116 1.00 72.33 H new ATOM 0 HE3 MET A 11 -10.149 8.570 5.249 1.00 72.33 H new ATOM 152 N ALA A 12 -5.437 5.670 6.600 1.00 44.10 N ATOM 153 CA ALA A 12 -5.397 4.351 5.982 1.00 55.21 C ATOM 154 C ALA A 12 -4.889 3.300 6.962 1.00 70.23 C ATOM 155 O ALA A 12 -5.469 2.220 7.083 1.00 22.54 O ATOM 156 CB ALA A 12 -4.525 4.379 4.735 1.00 14.33 C ATOM 0 H ALA A 12 -4.835 6.363 6.155 1.00 44.10 H new ATOM 0 HA ALA A 12 -6.413 4.080 5.696 1.00 55.21 H new ATOM 0 HB1 ALA A 12 -4.504 3.387 4.283 1.00 14.33 H new ATOM 0 HB2 ALA A 12 -4.934 5.094 4.021 1.00 14.33 H new ATOM 0 HB3 ALA A 12 -3.512 4.676 5.006 1.00 14.33 H new ATOM 162 N ILE A 13 -3.804 3.621 7.657 1.00 42.35 N ATOM 163 CA ILE A 13 -3.218 2.704 8.626 1.00 0.05 C ATOM 164 C ILE A 13 -4.021 2.687 9.922 1.00 12.22 C ATOM 165 O ILE A 13 -4.013 1.700 10.658 1.00 33.43 O ATOM 166 CB ILE A 13 -1.759 3.078 8.946 1.00 51.24 C ATOM 167 CG1 ILE A 13 -0.912 3.051 7.671 1.00 3.02 C ATOM 168 CG2 ILE A 13 -1.186 2.131 9.989 1.00 44.13 C ATOM 169 CD1 ILE A 13 0.541 3.399 7.904 1.00 3.35 C ATOM 0 H ILE A 13 -3.312 4.510 7.567 1.00 42.35 H new ATOM 0 HA ILE A 13 -3.240 1.713 8.174 1.00 0.05 H new ATOM 0 HB ILE A 13 -1.739 4.089 9.352 1.00 51.24 H new ATOM 0 HG12 ILE A 13 -0.973 2.058 7.225 1.00 3.02 H new ATOM 0 HG13 ILE A 13 -1.334 3.751 6.949 1.00 3.02 H new ATOM 0 HG21 ILE A 13 -0.154 2.408 10.204 1.00 44.13 H new ATOM 0 HG22 ILE A 13 -1.777 2.195 10.902 1.00 44.13 H new ATOM 0 HG23 ILE A 13 -1.215 1.110 9.609 1.00 44.13 H new ATOM 0 HD11 ILE A 13 1.081 3.360 6.958 1.00 3.35 H new ATOM 0 HD12 ILE A 13 0.612 4.403 8.321 1.00 3.35 H new ATOM 0 HD13 ILE A 13 0.979 2.685 8.601 1.00 3.35 H new ATOM 181 N LYS A 14 -4.717 3.786 10.195 1.00 73.23 N ATOM 182 CA LYS A 14 -5.530 3.898 11.400 1.00 3.52 C ATOM 183 C LYS A 14 -6.653 2.866 11.397 1.00 31.53 C ATOM 184 O LYS A 14 -6.861 2.159 12.384 1.00 10.21 O ATOM 185 CB LYS A 14 -6.118 5.306 11.514 1.00 12.52 C ATOM 186 CG LYS A 14 -7.149 5.448 12.621 1.00 24.32 C ATOM 187 CD LYS A 14 -6.981 6.756 13.375 1.00 53.22 C ATOM 188 CE LYS A 14 -7.280 7.954 12.486 1.00 73.20 C ATOM 189 NZ LYS A 14 -6.146 8.917 12.454 1.00 5.22 N ATOM 0 H LYS A 14 -4.734 4.612 9.597 1.00 73.23 H new ATOM 0 HA LYS A 14 -4.888 3.708 12.260 1.00 3.52 H new ATOM 0 HB2 LYS A 14 -5.309 6.015 11.689 1.00 12.52 H new ATOM 0 HB3 LYS A 14 -6.578 5.576 10.564 1.00 12.52 H new ATOM 0 HG2 LYS A 14 -8.151 5.399 12.195 1.00 24.32 H new ATOM 0 HG3 LYS A 14 -7.057 4.613 13.315 1.00 24.32 H new ATOM 0 HD2 LYS A 14 -7.646 6.767 14.239 1.00 53.22 H new ATOM 0 HD3 LYS A 14 -5.962 6.829 13.756 1.00 53.22 H new ATOM 0 HE2 LYS A 14 -7.494 7.611 11.474 1.00 73.20 H new ATOM 0 HE3 LYS A 14 -8.176 8.460 12.847 1.00 73.20 H new ATOM 0 HZ1 LYS A 14 -6.389 9.719 11.838 1.00 5.22 H new ATOM 0 HZ2 LYS A 14 -5.958 9.264 13.416 1.00 5.22 H new ATOM 0 HZ3 LYS A 14 -5.297 8.442 12.086 1.00 5.22 H new ATOM 203 N ARG A 15 -7.372 2.783 10.282 1.00 24.24 N ATOM 204 CA ARG A 15 -8.473 1.836 10.153 1.00 51.52 C ATOM 205 C ARG A 15 -7.955 0.446 9.798 1.00 64.32 C ATOM 206 O ARG A 15 -8.470 -0.562 10.285 1.00 11.33 O ATOM 207 CB ARG A 15 -9.459 2.312 9.084 1.00 41.25 C ATOM 208 CG ARG A 15 -8.844 2.436 7.699 1.00 72.02 C ATOM 209 CD ARG A 15 -9.742 3.223 6.759 1.00 11.42 C ATOM 210 NE ARG A 15 -10.064 4.546 7.289 1.00 34.41 N ATOM 211 CZ ARG A 15 -11.109 5.263 6.892 1.00 74.14 C ATOM 212 NH1 ARG A 15 -11.930 4.786 5.965 1.00 51.11 N ATOM 213 NH2 ARG A 15 -11.336 6.458 7.422 1.00 75.33 N ATOM 0 H ARG A 15 -7.212 3.360 9.456 1.00 24.24 H new ATOM 0 HA ARG A 15 -8.986 1.780 11.113 1.00 51.52 H new ATOM 0 HB2 ARG A 15 -10.297 1.616 9.039 1.00 41.25 H new ATOM 0 HB3 ARG A 15 -9.864 3.280 9.380 1.00 41.25 H new ATOM 0 HG2 ARG A 15 -7.874 2.927 7.773 1.00 72.02 H new ATOM 0 HG3 ARG A 15 -8.667 1.442 7.288 1.00 72.02 H new ATOM 0 HD2 ARG A 15 -9.250 3.330 5.792 1.00 11.42 H new ATOM 0 HD3 ARG A 15 -10.664 2.667 6.588 1.00 11.42 H new ATOM 0 HE ARG A 15 -9.452 4.941 8.003 1.00 34.41 H new ATOM 0 HH11 ARG A 15 -11.759 3.867 5.556 1.00 51.11 H new ATOM 0 HH12 ARG A 15 -12.732 5.338 5.661 1.00 51.11 H new ATOM 0 HH21 ARG A 15 -10.707 6.827 8.135 1.00 75.33 H new ATOM 0 HH22 ARG A 15 -12.139 7.007 7.116 1.00 75.33 H new ATOM 227 N CYS A 16 -6.934 0.399 8.950 1.00 74.40 N ATOM 228 CA CYS A 16 -6.347 -0.870 8.529 1.00 2.13 C ATOM 229 C CYS A 16 -5.859 -1.668 9.734 1.00 74.24 C ATOM 230 O CYS A 16 -5.877 -2.899 9.724 1.00 12.21 O ATOM 231 CB CYS A 16 -5.188 -0.623 7.562 1.00 54.32 C ATOM 232 SG CYS A 16 -4.390 -2.132 6.966 1.00 1.22 S ATOM 0 H CYS A 16 -6.495 1.223 8.540 1.00 74.40 H new ATOM 0 HA CYS A 16 -7.118 -1.449 8.020 1.00 2.13 H new ATOM 0 HB2 CYS A 16 -5.557 -0.058 6.706 1.00 54.32 H new ATOM 0 HB3 CYS A 16 -4.442 -0.001 8.057 1.00 54.32 H new ATOM 0 HG CYS A 16 -4.589 -3.094 7.818 1.00 1.22 H new ATOM 238 N SER A 17 -5.421 -0.959 10.769 1.00 72.42 N ATOM 239 CA SER A 17 -4.922 -1.602 11.979 1.00 31.44 C ATOM 240 C SER A 17 -6.022 -2.416 12.655 1.00 25.22 C ATOM 241 O SER A 17 -5.766 -3.481 13.215 1.00 21.04 O ATOM 242 CB SER A 17 -4.377 -0.554 12.951 1.00 23.31 C ATOM 243 OG SER A 17 -5.424 0.230 13.496 1.00 63.40 O ATOM 0 H SER A 17 -5.401 0.061 10.794 1.00 72.42 H new ATOM 0 HA SER A 17 -4.116 -2.278 11.695 1.00 31.44 H new ATOM 0 HB2 SER A 17 -3.832 -1.048 13.755 1.00 23.31 H new ATOM 0 HB3 SER A 17 -3.667 0.091 12.434 1.00 23.31 H new ATOM 0 HG SER A 17 -5.757 0.850 12.814 1.00 63.40 H new ATOM 249 N ASN A 18 -7.247 -1.904 12.598 1.00 41.22 N ATOM 250 CA ASN A 18 -8.388 -2.582 13.204 1.00 42.34 C ATOM 251 C ASN A 18 -8.564 -3.980 12.619 1.00 51.11 C ATOM 252 O ASN A 18 -9.129 -4.866 13.259 1.00 30.20 O ATOM 253 CB ASN A 18 -9.663 -1.764 12.995 1.00 52.02 C ATOM 254 CG ASN A 18 -10.477 -1.627 14.268 1.00 71.15 C ATOM 255 OD1 ASN A 18 -11.377 -2.426 14.532 1.00 62.03 O ATOM 256 ND2 ASN A 18 -10.164 -0.611 15.063 1.00 35.40 N ATOM 0 H ASN A 18 -7.475 -1.022 12.139 1.00 41.22 H new ATOM 0 HA ASN A 18 -8.197 -2.677 14.273 1.00 42.34 H new ATOM 0 HB2 ASN A 18 -9.399 -0.772 12.627 1.00 52.02 H new ATOM 0 HB3 ASN A 18 -10.273 -2.237 12.226 1.00 52.02 H new ATOM 0 HD21 ASN A 18 -10.677 -0.467 15.933 1.00 35.40 H new ATOM 0 HD22 ASN A 18 -9.411 0.026 14.804 1.00 35.40 H new ATOM 263 N VAL A 19 -8.075 -4.169 11.397 1.00 73.33 N ATOM 264 CA VAL A 19 -8.177 -5.460 10.725 1.00 54.02 C ATOM 265 C VAL A 19 -7.553 -6.568 11.565 1.00 42.03 C ATOM 266 O VAL A 19 -6.483 -6.391 12.148 1.00 30.45 O ATOM 267 CB VAL A 19 -7.494 -5.429 9.345 1.00 33.03 C ATOM 268 CG1 VAL A 19 -7.585 -6.791 8.673 1.00 35.54 C ATOM 269 CG2 VAL A 19 -8.113 -4.351 8.468 1.00 23.13 C ATOM 0 H VAL A 19 -7.605 -3.446 10.853 1.00 73.33 H new ATOM 0 HA VAL A 19 -9.239 -5.665 10.592 1.00 54.02 H new ATOM 0 HB VAL A 19 -6.440 -5.190 9.486 1.00 33.03 H new ATOM 0 HG11 VAL A 19 -7.097 -6.750 7.699 1.00 35.54 H new ATOM 0 HG12 VAL A 19 -7.091 -7.537 9.295 1.00 35.54 H new ATOM 0 HG13 VAL A 19 -8.632 -7.063 8.543 1.00 35.54 H new ATOM 0 HG21 VAL A 19 -7.618 -4.343 7.497 1.00 23.13 H new ATOM 0 HG22 VAL A 19 -9.175 -4.557 8.333 1.00 23.13 H new ATOM 0 HG23 VAL A 19 -7.990 -3.379 8.945 1.00 23.13 H new ATOM 279 N ALA A 20 -8.227 -7.712 11.622 1.00 13.11 N ATOM 280 CA ALA A 20 -7.737 -8.851 12.388 1.00 45.32 C ATOM 281 C ALA A 20 -6.786 -9.705 11.556 1.00 14.32 C ATOM 282 O ALA A 20 -7.217 -10.584 10.810 1.00 21.13 O ATOM 283 CB ALA A 20 -8.902 -9.690 12.890 1.00 55.15 C ATOM 0 H ALA A 20 -9.115 -7.874 11.146 1.00 13.11 H new ATOM 0 HA ALA A 20 -7.183 -8.469 13.246 1.00 45.32 H new ATOM 0 HB1 ALA A 20 -8.521 -10.537 13.460 1.00 55.15 H new ATOM 0 HB2 ALA A 20 -9.541 -9.080 13.529 1.00 55.15 H new ATOM 0 HB3 ALA A 20 -9.480 -10.055 12.041 1.00 55.15 H new ATOM 289 N VAL A 21 -5.490 -9.439 11.687 1.00 13.43 N ATOM 290 CA VAL A 21 -4.479 -10.184 10.947 1.00 2.41 C ATOM 291 C VAL A 21 -4.552 -11.673 11.264 1.00 5.43 C ATOM 292 O VAL A 21 -4.328 -12.515 10.395 1.00 32.14 O ATOM 293 CB VAL A 21 -3.061 -9.671 11.264 1.00 51.42 C ATOM 294 CG1 VAL A 21 -2.043 -10.300 10.325 1.00 54.11 C ATOM 295 CG2 VAL A 21 -3.012 -8.153 11.177 1.00 30.24 C ATOM 0 H VAL A 21 -5.116 -8.713 12.299 1.00 13.43 H new ATOM 0 HA VAL A 21 -4.685 -10.031 9.888 1.00 2.41 H new ATOM 0 HB VAL A 21 -2.808 -9.962 12.283 1.00 51.42 H new ATOM 0 HG11 VAL A 21 -1.048 -9.926 10.564 1.00 54.11 H new ATOM 0 HG12 VAL A 21 -2.061 -11.384 10.442 1.00 54.11 H new ATOM 0 HG13 VAL A 21 -2.290 -10.042 9.295 1.00 54.11 H new ATOM 0 HG21 VAL A 21 -2.003 -7.808 11.404 1.00 30.24 H new ATOM 0 HG22 VAL A 21 -3.286 -7.837 10.170 1.00 30.24 H new ATOM 0 HG23 VAL A 21 -3.712 -7.725 11.894 1.00 30.24 H new ATOM 375 N LYS A 28 -4.940 -10.131 17.210 1.00 2.31 N ATOM 376 CA LYS A 28 -3.808 -9.627 16.442 1.00 52.54 C ATOM 377 C LYS A 28 -4.269 -8.625 15.387 1.00 12.03 C ATOM 378 O LYS A 28 -4.645 -9.003 14.278 1.00 13.22 O ATOM 379 CB LYS A 28 -3.066 -10.784 15.769 1.00 4.41 C ATOM 380 CG LYS A 28 -2.221 -11.604 16.729 1.00 12.04 C ATOM 381 CD LYS A 28 -0.754 -11.217 16.652 1.00 52.31 C ATOM 382 CE LYS A 28 -0.136 -11.093 18.036 1.00 11.02 C ATOM 383 NZ LYS A 28 -0.123 -12.396 18.756 1.00 23.40 N ATOM 0 HA LYS A 28 -3.132 -9.120 17.130 1.00 52.54 H new ATOM 0 HB2 LYS A 28 -3.792 -11.439 15.287 1.00 4.41 H new ATOM 0 HB3 LYS A 28 -2.425 -10.385 14.983 1.00 4.41 H new ATOM 0 HG2 LYS A 28 -2.583 -11.460 17.747 1.00 12.04 H new ATOM 0 HG3 LYS A 28 -2.331 -12.664 16.498 1.00 12.04 H new ATOM 0 HD2 LYS A 28 -0.209 -11.964 16.075 1.00 52.31 H new ATOM 0 HD3 LYS A 28 -0.654 -10.270 16.122 1.00 52.31 H new ATOM 0 HE2 LYS A 28 0.883 -10.717 17.946 1.00 11.02 H new ATOM 0 HE3 LYS A 28 -0.695 -10.361 18.619 1.00 11.02 H new ATOM 0 HZ1 LYS A 28 0.336 -12.277 19.681 1.00 23.40 H new ATOM 0 HZ2 LYS A 28 -1.100 -12.726 18.894 1.00 23.40 H new ATOM 0 HZ3 LYS A 28 0.403 -13.097 18.196 1.00 23.40 H new ATOM 397 N LYS A 29 -4.236 -7.344 15.741 1.00 13.51 N ATOM 398 CA LYS A 29 -4.648 -6.286 14.826 1.00 74.30 C ATOM 399 C LYS A 29 -3.449 -5.726 14.068 1.00 52.45 C ATOM 400 O LYS A 29 -2.327 -5.723 14.575 1.00 1.12 O ATOM 401 CB LYS A 29 -5.349 -5.164 15.594 1.00 41.23 C ATOM 402 CG LYS A 29 -6.859 -5.165 15.428 1.00 31.05 C ATOM 403 CD LYS A 29 -7.518 -4.123 16.317 1.00 40.42 C ATOM 404 CE LYS A 29 -7.515 -4.552 17.776 1.00 73.13 C ATOM 405 NZ LYS A 29 -8.796 -4.215 18.456 1.00 44.42 N ATOM 0 H LYS A 29 -3.928 -7.014 16.656 1.00 13.51 H new ATOM 0 HA LYS A 29 -5.344 -6.714 14.105 1.00 74.30 H new ATOM 0 HB2 LYS A 29 -5.108 -5.255 16.653 1.00 41.23 H new ATOM 0 HB3 LYS A 29 -4.956 -4.204 15.259 1.00 41.23 H new ATOM 0 HG2 LYS A 29 -7.112 -4.968 14.386 1.00 31.05 H new ATOM 0 HG3 LYS A 29 -7.252 -6.152 15.670 1.00 31.05 H new ATOM 0 HD2 LYS A 29 -6.994 -3.173 16.215 1.00 40.42 H new ATOM 0 HD3 LYS A 29 -8.544 -3.958 15.987 1.00 40.42 H new ATOM 0 HE2 LYS A 29 -7.343 -5.626 17.838 1.00 73.13 H new ATOM 0 HE3 LYS A 29 -6.689 -4.066 18.296 1.00 73.13 H new ATOM 0 HZ1 LYS A 29 -8.754 -4.524 19.448 1.00 44.42 H new ATOM 0 HZ2 LYS A 29 -8.949 -3.187 18.419 1.00 44.42 H new ATOM 0 HZ3 LYS A 29 -9.582 -4.699 17.976 1.00 44.42 H new ATOM 419 N PHE A 30 -3.694 -5.251 12.851 1.00 44.43 N ATOM 420 CA PHE A 30 -2.634 -4.687 12.023 1.00 3.22 C ATOM 421 C PHE A 30 -2.097 -3.395 12.632 1.00 25.02 C ATOM 422 O PHE A 30 -2.523 -2.979 13.709 1.00 65.12 O ATOM 423 CB PHE A 30 -3.150 -4.421 10.607 1.00 35.25 C ATOM 424 CG PHE A 30 -2.605 -5.372 9.582 1.00 62.23 C ATOM 425 CD1 PHE A 30 -1.238 -5.541 9.431 1.00 44.34 C ATOM 426 CD2 PHE A 30 -3.459 -6.098 8.767 1.00 33.32 C ATOM 427 CE1 PHE A 30 -0.732 -6.416 8.488 1.00 15.05 C ATOM 428 CE2 PHE A 30 -2.959 -6.974 7.822 1.00 34.33 C ATOM 429 CZ PHE A 30 -1.594 -7.133 7.682 1.00 51.11 C ATOM 0 H PHE A 30 -4.617 -5.245 12.417 1.00 44.43 H new ATOM 0 HA PHE A 30 -1.821 -5.411 11.976 1.00 3.22 H new ATOM 0 HB2 PHE A 30 -4.238 -4.485 10.608 1.00 35.25 H new ATOM 0 HB3 PHE A 30 -2.890 -3.402 10.320 1.00 35.25 H new ATOM 0 HD1 PHE A 30 -0.559 -4.982 10.058 1.00 44.34 H new ATOM 0 HD2 PHE A 30 -4.527 -5.978 8.871 1.00 33.32 H new ATOM 0 HE1 PHE A 30 0.336 -6.539 8.382 1.00 15.05 H new ATOM 0 HE2 PHE A 30 -3.635 -7.534 7.193 1.00 34.33 H new ATOM 0 HZ PHE A 30 -1.202 -7.817 6.944 1.00 51.11 H new ATOM 439 N GLY A 31 -1.158 -2.764 11.934 1.00 5.04 N ATOM 440 CA GLY A 31 -0.577 -1.527 12.421 1.00 61.03 C ATOM 441 C GLY A 31 0.520 -1.005 11.514 1.00 4.41 C ATOM 442 O GLY A 31 0.974 -1.708 10.612 1.00 2.41 O ATOM 0 H GLY A 31 -0.789 -3.088 11.040 1.00 5.04 H new ATOM 0 HA2 GLY A 31 -1.359 -0.773 12.512 1.00 61.03 H new ATOM 0 HA3 GLY A 31 -0.172 -1.688 13.420 1.00 61.03 H new ATOM 446 N GLU A 32 0.945 0.232 11.754 1.00 44.15 N ATOM 447 CA GLU A 32 1.995 0.847 10.949 1.00 31.11 C ATOM 448 C GLU A 32 3.252 -0.017 10.940 1.00 55.21 C ATOM 449 O GLU A 32 4.008 -0.023 9.969 1.00 72.31 O ATOM 450 CB GLU A 32 2.325 2.242 11.483 1.00 1.02 C ATOM 451 CG GLU A 32 3.034 2.228 12.827 1.00 70.42 C ATOM 452 CD GLU A 32 2.538 3.314 13.760 1.00 30.42 C ATOM 453 OE1 GLU A 32 2.705 3.162 14.989 1.00 65.34 O ATOM 454 OE2 GLU A 32 1.981 4.315 13.264 1.00 2.41 O ATOM 0 H GLU A 32 0.579 0.827 12.498 1.00 44.15 H new ATOM 0 HA GLU A 32 1.629 0.934 9.926 1.00 31.11 H new ATOM 0 HB2 GLU A 32 2.951 2.761 10.757 1.00 1.02 H new ATOM 0 HB3 GLU A 32 1.402 2.814 11.575 1.00 1.02 H new ATOM 0 HG2 GLU A 32 2.891 1.256 13.299 1.00 70.42 H new ATOM 0 HG3 GLU A 32 4.105 2.351 12.669 1.00 70.42 H new ATOM 461 N GLY A 33 3.468 -0.747 12.030 1.00 64.14 N ATOM 462 CA GLY A 33 4.635 -1.606 12.128 1.00 1.34 C ATOM 463 C GLY A 33 4.567 -2.787 11.181 1.00 3.31 C ATOM 464 O GLY A 33 5.442 -2.962 10.334 1.00 51.00 O ATOM 0 H GLY A 33 2.857 -0.759 12.846 1.00 64.14 H new ATOM 0 HA2 GLY A 33 5.530 -1.023 11.913 1.00 1.34 H new ATOM 0 HA3 GLY A 33 4.730 -1.970 13.151 1.00 1.34 H new ATOM 468 N ASN A 34 3.526 -3.600 11.326 1.00 11.21 N ATOM 469 CA ASN A 34 3.348 -4.773 10.477 1.00 45.41 C ATOM 470 C ASN A 34 3.202 -4.368 9.013 1.00 33.43 C ATOM 471 O ASN A 34 3.766 -5.004 8.123 1.00 54.45 O ATOM 472 CB ASN A 34 2.122 -5.570 10.922 1.00 21.04 C ATOM 473 CG ASN A 34 2.267 -6.118 12.329 1.00 23.31 C ATOM 474 OD1 ASN A 34 3.306 -5.949 12.969 1.00 40.13 O ATOM 475 ND2 ASN A 34 1.225 -6.780 12.818 1.00 2.22 N ATOM 0 H ASN A 34 2.793 -3.469 12.023 1.00 11.21 H new ATOM 0 HA ASN A 34 4.235 -5.399 10.576 1.00 45.41 H new ATOM 0 HB2 ASN A 34 1.240 -4.932 10.873 1.00 21.04 H new ATOM 0 HB3 ASN A 34 1.957 -6.395 10.229 1.00 21.04 H new ATOM 0 HD21 ASN A 34 1.266 -7.172 13.759 1.00 2.22 H new ATOM 0 HD22 ASN A 34 0.384 -6.896 12.253 1.00 2.22 H new ATOM 482 N PHE A 35 2.441 -3.306 8.772 1.00 4.54 N ATOM 483 CA PHE A 35 2.219 -2.816 7.417 1.00 42.41 C ATOM 484 C PHE A 35 3.545 -2.501 6.728 1.00 32.41 C ATOM 485 O PHE A 35 3.772 -2.901 5.586 1.00 44.20 O ATOM 486 CB PHE A 35 1.337 -1.566 7.442 1.00 53.31 C ATOM 487 CG PHE A 35 1.197 -0.904 6.101 1.00 74.20 C ATOM 488 CD1 PHE A 35 0.951 -1.657 4.964 1.00 33.32 C ATOM 489 CD2 PHE A 35 1.312 0.472 5.977 1.00 33.31 C ATOM 490 CE1 PHE A 35 0.821 -1.051 3.728 1.00 44.11 C ATOM 491 CE2 PHE A 35 1.183 1.083 4.745 1.00 52.14 C ATOM 492 CZ PHE A 35 0.939 0.321 3.619 1.00 10.40 C ATOM 0 H PHE A 35 1.967 -2.768 9.498 1.00 4.54 H new ATOM 0 HA PHE A 35 1.713 -3.599 6.853 1.00 42.41 H new ATOM 0 HB2 PHE A 35 0.347 -1.837 7.810 1.00 53.31 H new ATOM 0 HB3 PHE A 35 1.755 -0.850 8.150 1.00 53.31 H new ATOM 0 HD1 PHE A 35 0.860 -2.730 5.044 1.00 33.32 H new ATOM 0 HD2 PHE A 35 1.505 1.073 6.853 1.00 33.31 H new ATOM 0 HE1 PHE A 35 0.628 -1.649 2.850 1.00 44.11 H new ATOM 0 HE2 PHE A 35 1.273 2.156 4.662 1.00 52.14 H new ATOM 0 HZ PHE A 35 0.841 0.797 2.655 1.00 10.40 H new ATOM 502 N ARG A 36 4.415 -1.784 7.432 1.00 55.03 N ATOM 503 CA ARG A 36 5.716 -1.415 6.889 1.00 41.12 C ATOM 504 C ARG A 36 6.563 -2.654 6.617 1.00 72.33 C ATOM 505 O ARG A 36 7.212 -2.759 5.576 1.00 11.51 O ATOM 506 CB ARG A 36 6.451 -0.485 7.856 1.00 14.43 C ATOM 507 CG ARG A 36 5.849 0.909 7.934 1.00 24.11 C ATOM 508 CD ARG A 36 6.746 1.941 7.268 1.00 24.32 C ATOM 509 NE ARG A 36 6.655 1.887 5.812 1.00 63.03 N ATOM 510 CZ ARG A 36 7.510 2.497 4.999 1.00 55.13 C ATOM 511 NH1 ARG A 36 8.515 3.204 5.497 1.00 12.21 N ATOM 512 NH2 ARG A 36 7.361 2.400 3.684 1.00 43.04 N ATOM 0 H ARG A 36 4.242 -1.447 8.379 1.00 55.03 H new ATOM 0 HA ARG A 36 5.553 -0.893 5.946 1.00 41.12 H new ATOM 0 HB2 ARG A 36 6.445 -0.931 8.851 1.00 14.43 H new ATOM 0 HB3 ARG A 36 7.494 -0.405 7.549 1.00 14.43 H new ATOM 0 HG2 ARG A 36 4.871 0.911 7.454 1.00 24.11 H new ATOM 0 HG3 ARG A 36 5.692 1.181 8.978 1.00 24.11 H new ATOM 0 HD2 ARG A 36 6.469 2.938 7.612 1.00 24.32 H new ATOM 0 HD3 ARG A 36 7.779 1.774 7.573 1.00 24.32 H new ATOM 0 HE ARG A 36 5.893 1.351 5.396 1.00 63.03 H new ATOM 0 HH11 ARG A 36 8.633 3.281 6.507 1.00 12.21 H new ATOM 0 HH12 ARG A 36 9.170 3.671 4.870 1.00 12.21 H new ATOM 0 HH21 ARG A 36 6.589 1.857 3.297 1.00 43.04 H new ATOM 0 HH22 ARG A 36 8.018 2.869 3.060 1.00 43.04 H new ATOM 526 N TRP A 37 6.553 -3.590 7.559 1.00 64.31 N ATOM 527 CA TRP A 37 7.321 -4.822 7.422 1.00 64.13 C ATOM 528 C TRP A 37 7.002 -5.517 6.103 1.00 50.13 C ATOM 529 O TRP A 37 7.898 -6.013 5.419 1.00 23.14 O ATOM 530 CB TRP A 37 7.030 -5.763 8.592 1.00 35.13 C ATOM 531 CG TRP A 37 7.612 -7.132 8.414 1.00 40.44 C ATOM 532 CD1 TRP A 37 8.814 -7.579 8.883 1.00 40.43 C ATOM 533 CD2 TRP A 37 7.020 -8.231 7.713 1.00 30.14 C ATOM 534 NE1 TRP A 37 9.004 -8.890 8.517 1.00 22.44 N ATOM 535 CE2 TRP A 37 7.917 -9.313 7.800 1.00 61.05 C ATOM 536 CE3 TRP A 37 5.816 -8.407 7.023 1.00 25.11 C ATOM 537 CZ2 TRP A 37 7.648 -10.551 7.221 1.00 21.11 C ATOM 538 CZ3 TRP A 37 5.552 -9.635 6.450 1.00 71.45 C ATOM 539 CH2 TRP A 37 6.463 -10.695 6.552 1.00 44.22 C ATOM 0 H TRP A 37 6.021 -3.519 8.427 1.00 64.31 H new ATOM 0 HA TRP A 37 8.380 -4.563 7.429 1.00 64.13 H new ATOM 0 HB2 TRP A 37 7.426 -5.325 9.508 1.00 35.13 H new ATOM 0 HB3 TRP A 37 5.951 -5.849 8.720 1.00 35.13 H new ATOM 0 HD1 TRP A 37 9.513 -6.989 9.457 1.00 40.43 H new ATOM 0 HE1 TRP A 37 9.822 -9.456 8.743 1.00 22.44 H new ATOM 0 HE3 TRP A 37 5.106 -7.597 6.940 1.00 25.11 H new ATOM 0 HZ2 TRP A 37 8.350 -11.368 7.297 1.00 21.11 H new ATOM 0 HZ3 TRP A 37 4.626 -9.781 5.913 1.00 71.45 H new ATOM 0 HH2 TRP A 37 6.225 -11.644 6.094 1.00 44.22 H new ATOM 550 N ALA A 38 5.721 -5.550 5.750 1.00 24.43 N ATOM 551 CA ALA A 38 5.285 -6.183 4.512 1.00 64.20 C ATOM 552 C ALA A 38 5.740 -5.382 3.296 1.00 24.41 C ATOM 553 O ALA A 38 6.137 -5.952 2.280 1.00 45.54 O ATOM 554 CB ALA A 38 3.773 -6.344 4.505 1.00 13.42 C ATOM 0 H ALA A 38 4.967 -5.145 6.305 1.00 24.43 H new ATOM 0 HA ALA A 38 5.744 -7.170 4.457 1.00 64.20 H new ATOM 0 HB1 ALA A 38 3.462 -6.818 3.574 1.00 13.42 H new ATOM 0 HB2 ALA A 38 3.469 -6.965 5.348 1.00 13.42 H new ATOM 0 HB3 ALA A 38 3.302 -5.364 4.588 1.00 13.42 H new ATOM 560 N ILE A 39 5.678 -4.059 3.409 1.00 75.35 N ATOM 561 CA ILE A 39 6.083 -3.181 2.318 1.00 21.54 C ATOM 562 C ILE A 39 7.562 -3.356 1.993 1.00 45.13 C ATOM 563 O ILE A 39 7.929 -3.624 0.849 1.00 41.24 O ATOM 564 CB ILE A 39 5.816 -1.703 2.657 1.00 22.45 C ATOM 565 CG1 ILE A 39 4.327 -1.481 2.930 1.00 34.31 C ATOM 566 CG2 ILE A 39 6.291 -0.805 1.524 1.00 32.43 C ATOM 567 CD1 ILE A 39 4.051 -0.349 3.894 1.00 10.24 C ATOM 0 H ILE A 39 5.352 -3.572 4.244 1.00 75.35 H new ATOM 0 HA ILE A 39 5.486 -3.460 1.450 1.00 21.54 H new ATOM 0 HB ILE A 39 6.374 -1.446 3.557 1.00 22.45 H new ATOM 0 HG12 ILE A 39 3.820 -1.276 1.987 1.00 34.31 H new ATOM 0 HG13 ILE A 39 3.898 -2.400 3.329 1.00 34.31 H new ATOM 0 HG21 ILE A 39 6.095 0.237 1.779 1.00 32.43 H new ATOM 0 HG22 ILE A 39 7.361 -0.946 1.372 1.00 32.43 H new ATOM 0 HG23 ILE A 39 5.757 -1.061 0.609 1.00 32.43 H new ATOM 0 HD11 ILE A 39 2.975 -0.250 4.040 1.00 10.24 H new ATOM 0 HD12 ILE A 39 4.529 -0.561 4.850 1.00 10.24 H new ATOM 0 HD13 ILE A 39 4.449 0.581 3.487 1.00 10.24 H new ATOM 579 N ARG A 40 8.409 -3.205 3.007 1.00 34.42 N ATOM 580 CA ARG A 40 9.849 -3.348 2.829 1.00 34.01 C ATOM 581 C ARG A 40 10.192 -4.716 2.249 1.00 71.52 C ATOM 582 O ARG A 40 11.011 -4.828 1.338 1.00 41.14 O ATOM 583 CB ARG A 40 10.571 -3.151 4.163 1.00 12.10 C ATOM 584 CG ARG A 40 11.773 -2.225 4.074 1.00 12.50 C ATOM 585 CD ARG A 40 11.360 -0.813 3.690 1.00 53.45 C ATOM 586 NE ARG A 40 12.032 0.195 4.506 1.00 45.45 N ATOM 587 CZ ARG A 40 11.685 0.481 5.755 1.00 62.32 C ATOM 588 NH1 ARG A 40 10.678 -0.162 6.329 1.00 25.43 N ATOM 589 NH2 ARG A 40 12.346 1.411 6.433 1.00 51.00 N ATOM 0 H ARG A 40 8.122 -2.984 3.960 1.00 34.42 H new ATOM 0 HA ARG A 40 10.181 -2.582 2.128 1.00 34.01 H new ATOM 0 HB2 ARG A 40 9.867 -2.749 4.892 1.00 12.10 H new ATOM 0 HB3 ARG A 40 10.898 -4.122 4.537 1.00 12.10 H new ATOM 0 HG2 ARG A 40 12.291 -2.206 5.033 1.00 12.50 H new ATOM 0 HG3 ARG A 40 12.478 -2.612 3.338 1.00 12.50 H new ATOM 0 HD2 ARG A 40 11.591 -0.641 2.639 1.00 53.45 H new ATOM 0 HD3 ARG A 40 10.281 -0.708 3.801 1.00 53.45 H new ATOM 0 HE ARG A 40 12.811 0.708 4.093 1.00 45.45 H new ATOM 0 HH11 ARG A 40 10.168 -0.878 5.811 1.00 25.43 H new ATOM 0 HH12 ARG A 40 10.413 0.059 7.289 1.00 25.43 H new ATOM 0 HH21 ARG A 40 13.122 1.907 5.994 1.00 51.00 H new ATOM 0 HH22 ARG A 40 12.078 1.630 7.393 1.00 51.00 H new ATOM 603 N MET A 41 9.559 -5.756 2.785 1.00 45.01 N ATOM 604 CA MET A 41 9.798 -7.117 2.320 1.00 22.20 C ATOM 605 C MET A 41 9.338 -7.287 0.876 1.00 74.31 C ATOM 606 O MET A 41 10.121 -7.664 0.005 1.00 62.30 O ATOM 607 CB MET A 41 9.074 -8.120 3.220 1.00 51.24 C ATOM 608 CG MET A 41 9.441 -9.568 2.934 1.00 13.14 C ATOM 609 SD MET A 41 10.135 -10.406 4.373 1.00 11.31 S ATOM 610 CE MET A 41 11.773 -10.810 3.770 1.00 32.41 C ATOM 0 H MET A 41 8.878 -5.681 3.541 1.00 45.01 H new ATOM 0 HA MET A 41 10.870 -7.307 2.365 1.00 22.20 H new ATOM 0 HB2 MET A 41 9.305 -7.894 4.261 1.00 51.24 H new ATOM 0 HB3 MET A 41 7.998 -7.995 3.097 1.00 51.24 H new ATOM 0 HG2 MET A 41 8.553 -10.104 2.599 1.00 13.14 H new ATOM 0 HG3 MET A 41 10.161 -9.602 2.116 1.00 13.14 H new ATOM 0 HE1 MET A 41 12.328 -11.334 4.548 1.00 32.41 H new ATOM 0 HE2 MET A 41 11.690 -11.449 2.891 1.00 32.41 H new ATOM 0 HE3 MET A 41 12.299 -9.893 3.503 1.00 32.41 H new ATOM 620 N ALA A 42 8.062 -7.007 0.630 1.00 74.21 N ATOM 621 CA ALA A 42 7.498 -7.128 -0.709 1.00 5.13 C ATOM 622 C ALA A 42 8.282 -6.288 -1.712 1.00 74.34 C ATOM 623 O ALA A 42 8.286 -6.577 -2.908 1.00 73.33 O ATOM 624 CB ALA A 42 6.033 -6.716 -0.704 1.00 71.44 C ATOM 0 H ALA A 42 7.400 -6.695 1.340 1.00 74.21 H new ATOM 0 HA ALA A 42 7.569 -8.172 -1.014 1.00 5.13 H new ATOM 0 HB1 ALA A 42 5.625 -6.811 -1.710 1.00 71.44 H new ATOM 0 HB2 ALA A 42 5.476 -7.361 -0.024 1.00 71.44 H new ATOM 0 HB3 ALA A 42 5.947 -5.681 -0.374 1.00 71.44 H new ATOM 630 N ASN A 43 8.943 -5.248 -1.218 1.00 31.25 N ATOM 631 CA ASN A 43 9.729 -4.365 -2.071 1.00 42.25 C ATOM 632 C ASN A 43 11.014 -5.052 -2.526 1.00 3.43 C ATOM 633 O ASN A 43 11.208 -5.304 -3.716 1.00 24.32 O ATOM 634 CB ASN A 43 10.065 -3.069 -1.331 1.00 64.40 C ATOM 635 CG ASN A 43 8.895 -2.104 -1.295 1.00 64.15 C ATOM 636 OD1 ASN A 43 7.795 -2.428 -1.744 1.00 45.32 O ATOM 637 ND2 ASN A 43 9.130 -0.911 -0.761 1.00 11.01 N ATOM 0 H ASN A 43 8.950 -4.995 -0.230 1.00 31.25 H new ATOM 0 HA ASN A 43 9.132 -4.127 -2.952 1.00 42.25 H new ATOM 0 HB2 ASN A 43 10.370 -3.305 -0.311 1.00 64.40 H new ATOM 0 HB3 ASN A 43 10.915 -2.587 -1.815 1.00 64.40 H new ATOM 0 HD21 ASN A 43 8.383 -0.219 -0.710 1.00 11.01 H new ATOM 0 HD22 ASN A 43 10.058 -0.687 -0.401 1.00 11.01 H new ATOM 644 N VAL A 44 11.889 -5.351 -1.571 1.00 12.13 N ATOM 645 CA VAL A 44 13.154 -6.009 -1.872 1.00 31.40 C ATOM 646 C VAL A 44 12.926 -7.372 -2.517 1.00 35.23 C ATOM 647 O VAL A 44 13.602 -7.737 -3.478 1.00 54.30 O ATOM 648 CB VAL A 44 14.008 -6.191 -0.604 1.00 4.44 C ATOM 649 CG1 VAL A 44 15.338 -6.847 -0.943 1.00 12.31 C ATOM 650 CG2 VAL A 44 14.226 -4.854 0.087 1.00 4.24 C ATOM 0 H VAL A 44 11.744 -5.148 -0.582 1.00 12.13 H new ATOM 0 HA VAL A 44 13.687 -5.364 -2.571 1.00 31.40 H new ATOM 0 HB VAL A 44 13.472 -6.847 0.082 1.00 4.44 H new ATOM 0 HG11 VAL A 44 15.927 -6.967 -0.034 1.00 12.31 H new ATOM 0 HG12 VAL A 44 15.158 -7.825 -1.390 1.00 12.31 H new ATOM 0 HG13 VAL A 44 15.883 -6.220 -1.648 1.00 12.31 H new ATOM 0 HG21 VAL A 44 14.832 -5.001 0.981 1.00 4.24 H new ATOM 0 HG22 VAL A 44 14.740 -4.173 -0.592 1.00 4.24 H new ATOM 0 HG23 VAL A 44 13.263 -4.428 0.367 1.00 4.24 H new ATOM 660 N SER A 45 11.967 -8.121 -1.980 1.00 11.14 N ATOM 661 CA SER A 45 11.650 -9.445 -2.500 1.00 75.14 C ATOM 662 C SER A 45 11.304 -9.377 -3.984 1.00 55.03 C ATOM 663 O SER A 45 11.451 -10.358 -4.715 1.00 74.12 O ATOM 664 CB SER A 45 10.484 -10.057 -1.721 1.00 21.14 C ATOM 665 OG SER A 45 10.915 -10.549 -0.464 1.00 74.34 O ATOM 0 H SER A 45 11.397 -7.833 -1.185 1.00 11.14 H new ATOM 0 HA SER A 45 12.530 -10.076 -2.378 1.00 75.14 H new ATOM 0 HB2 SER A 45 9.706 -9.307 -1.575 1.00 21.14 H new ATOM 0 HB3 SER A 45 10.041 -10.867 -2.300 1.00 21.14 H new ATOM 0 HG SER A 45 10.152 -10.934 0.016 1.00 74.34 H new ATOM 671 N THR A 46 10.842 -8.210 -4.426 1.00 70.52 N ATOM 672 CA THR A 46 10.473 -8.013 -5.822 1.00 33.20 C ATOM 673 C THR A 46 11.559 -7.254 -6.575 1.00 25.20 C ATOM 674 O THR A 46 11.615 -7.286 -7.804 1.00 33.45 O ATOM 675 CB THR A 46 9.144 -7.245 -5.948 1.00 61.10 C ATOM 676 OG1 THR A 46 9.233 -5.994 -5.257 1.00 53.14 O ATOM 677 CG2 THR A 46 7.992 -8.061 -5.383 1.00 34.43 C ATOM 0 H THR A 46 10.715 -7.388 -3.836 1.00 70.52 H new ATOM 0 HA THR A 46 10.355 -9.004 -6.261 1.00 33.20 H new ATOM 0 HB THR A 46 8.955 -7.062 -7.006 1.00 61.10 H new ATOM 0 HG1 THR A 46 9.288 -6.156 -4.292 1.00 53.14 H new ATOM 0 HG21 THR A 46 7.064 -7.498 -5.483 1.00 34.43 H new ATOM 0 HG22 THR A 46 7.908 -9.000 -5.931 1.00 34.43 H new ATOM 0 HG23 THR A 46 8.177 -8.271 -4.330 1.00 34.43 H new ATOM 685 N GLY A 47 12.422 -6.570 -5.830 1.00 63.24 N ATOM 686 CA GLY A 47 13.496 -5.812 -6.446 1.00 61.54 C ATOM 687 C GLY A 47 13.010 -4.520 -7.071 1.00 2.11 C ATOM 688 O GLY A 47 13.536 -4.081 -8.094 1.00 21.21 O ATOM 0 H GLY A 47 12.397 -6.527 -4.811 1.00 63.24 H new ATOM 0 HA2 GLY A 47 14.254 -5.586 -5.696 1.00 61.54 H new ATOM 0 HA3 GLY A 47 13.976 -6.423 -7.210 1.00 61.54 H new ATOM 692 N ARG A 48 12.001 -3.911 -6.457 1.00 5.24 N ATOM 693 CA ARG A 48 11.442 -2.663 -6.961 1.00 14.12 C ATOM 694 C ARG A 48 12.155 -1.460 -6.350 1.00 33.41 C ATOM 695 O ARG A 48 11.514 -0.519 -5.880 1.00 61.35 O ATOM 696 CB ARG A 48 9.944 -2.590 -6.657 1.00 21.42 C ATOM 697 CG ARG A 48 9.137 -1.883 -7.734 1.00 22.53 C ATOM 698 CD ARG A 48 7.779 -2.537 -7.930 1.00 55.13 C ATOM 699 NE ARG A 48 7.783 -3.483 -9.043 1.00 62.22 N ATOM 700 CZ ARG A 48 6.680 -3.914 -9.646 1.00 3.32 C ATOM 701 NH1 ARG A 48 5.491 -3.483 -9.248 1.00 22.41 N ATOM 702 NH2 ARG A 48 6.766 -4.775 -10.652 1.00 75.31 N ATOM 0 H ARG A 48 11.554 -4.262 -5.610 1.00 5.24 H new ATOM 0 HA ARG A 48 11.588 -2.640 -8.041 1.00 14.12 H new ATOM 0 HB2 ARG A 48 9.558 -3.601 -6.531 1.00 21.42 H new ATOM 0 HB3 ARG A 48 9.799 -2.073 -5.708 1.00 21.42 H new ATOM 0 HG2 ARG A 48 9.002 -0.836 -7.461 1.00 22.53 H new ATOM 0 HG3 ARG A 48 9.689 -1.899 -8.674 1.00 22.53 H new ATOM 0 HD2 ARG A 48 7.490 -3.055 -7.015 1.00 55.13 H new ATOM 0 HD3 ARG A 48 7.029 -1.767 -8.111 1.00 55.13 H new ATOM 0 HE ARG A 48 8.682 -3.832 -9.376 1.00 62.22 H new ATOM 0 HH11 ARG A 48 5.421 -2.819 -8.477 1.00 22.41 H new ATOM 0 HH12 ARG A 48 4.646 -3.816 -9.713 1.00 22.41 H new ATOM 0 HH21 ARG A 48 7.679 -5.106 -10.963 1.00 75.31 H new ATOM 0 HH22 ARG A 48 5.919 -5.105 -11.114 1.00 75.31 H new ATOM 716 N GLU A 49 13.483 -1.499 -6.358 1.00 23.00 N ATOM 717 CA GLU A 49 14.282 -0.413 -5.802 1.00 50.04 C ATOM 718 C GLU A 49 14.028 -0.261 -4.305 1.00 74.24 C ATOM 719 O GLU A 49 13.018 -0.722 -3.772 1.00 23.12 O ATOM 720 CB GLU A 49 13.967 0.901 -6.520 1.00 61.02 C ATOM 721 CG GLU A 49 15.030 1.317 -7.522 1.00 45.45 C ATOM 722 CD GLU A 49 14.524 1.303 -8.952 1.00 25.22 C ATOM 723 OE1 GLU A 49 14.726 2.310 -9.662 1.00 20.12 O ATOM 724 OE2 GLU A 49 13.926 0.285 -9.359 1.00 2.44 O ATOM 0 H GLU A 49 14.028 -2.270 -6.743 1.00 23.00 H new ATOM 0 HA GLU A 49 15.334 -0.657 -5.951 1.00 50.04 H new ATOM 0 HB2 GLU A 49 13.012 0.803 -7.036 1.00 61.02 H new ATOM 0 HB3 GLU A 49 13.850 1.691 -5.779 1.00 61.02 H new ATOM 0 HG2 GLU A 49 15.384 2.318 -7.276 1.00 45.45 H new ATOM 0 HG3 GLU A 49 15.886 0.647 -7.437 1.00 45.45 H new ATOM 731 N PRO A 50 14.965 0.400 -3.610 1.00 12.44 N ATOM 732 CA PRO A 50 14.865 0.629 -2.166 1.00 10.41 C ATOM 733 C PRO A 50 13.762 1.620 -1.810 1.00 50.53 C ATOM 734 O PRO A 50 12.959 1.373 -0.912 1.00 15.41 O ATOM 735 CB PRO A 50 16.237 1.203 -1.802 1.00 70.44 C ATOM 736 CG PRO A 50 16.735 1.823 -3.062 1.00 12.31 C ATOM 737 CD PRO A 50 16.194 0.977 -4.182 1.00 12.44 C ATOM 0 HA PRO A 50 14.612 -0.283 -1.626 1.00 10.41 H new ATOM 0 HB2 PRO A 50 16.158 1.940 -1.002 1.00 70.44 H new ATOM 0 HB3 PRO A 50 16.912 0.423 -1.451 1.00 70.44 H new ATOM 0 HG2 PRO A 50 16.393 2.854 -3.151 1.00 12.31 H new ATOM 0 HG3 PRO A 50 17.825 1.846 -3.082 1.00 12.31 H new ATOM 0 HD2 PRO A 50 15.983 1.573 -5.070 1.00 12.44 H new ATOM 0 HD3 PRO A 50 16.901 0.203 -4.479 1.00 12.44 H new ATOM 745 N GLY A 51 13.730 2.743 -2.523 1.00 33.05 N ATOM 746 CA GLY A 51 12.720 3.754 -2.266 1.00 51.34 C ATOM 747 C GLY A 51 11.437 3.498 -3.031 1.00 54.30 C ATOM 748 O GLY A 51 11.080 4.258 -3.933 1.00 25.30 O ATOM 0 H GLY A 51 14.384 2.970 -3.272 1.00 33.05 H new ATOM 0 HA2 GLY A 51 12.503 3.784 -1.198 1.00 51.34 H new ATOM 0 HA3 GLY A 51 13.113 4.733 -2.539 1.00 51.34 H new ATOM 752 N ASP A 52 10.741 2.425 -2.673 1.00 61.30 N ATOM 753 CA ASP A 52 9.490 2.070 -3.333 1.00 13.23 C ATOM 754 C ASP A 52 8.295 2.399 -2.443 1.00 34.35 C ATOM 755 O ASP A 52 7.937 1.624 -1.555 1.00 74.04 O ATOM 756 CB ASP A 52 9.481 0.583 -3.691 1.00 12.22 C ATOM 757 CG ASP A 52 8.966 0.329 -5.094 1.00 33.44 C ATOM 758 OD1 ASP A 52 8.109 -0.566 -5.259 1.00 5.30 O ATOM 759 OD2 ASP A 52 9.417 1.026 -6.027 1.00 61.11 O ATOM 0 H ASP A 52 11.022 1.786 -1.929 1.00 61.30 H new ATOM 0 HA ASP A 52 9.411 2.656 -4.249 1.00 13.23 H new ATOM 0 HB2 ASP A 52 10.491 0.184 -3.600 1.00 12.22 H new ATOM 0 HB3 ASP A 52 8.860 0.044 -2.976 1.00 12.22 H new ATOM 764 N ILE A 53 7.681 3.552 -2.686 1.00 45.20 N ATOM 765 CA ILE A 53 6.527 3.983 -1.908 1.00 3.34 C ATOM 766 C ILE A 53 5.313 4.205 -2.802 1.00 33.13 C ATOM 767 O ILE A 53 4.913 5.336 -3.080 1.00 44.54 O ATOM 768 CB ILE A 53 6.824 5.280 -1.132 1.00 15.42 C ATOM 769 CG1 ILE A 53 8.153 5.161 -0.385 1.00 23.11 C ATOM 770 CG2 ILE A 53 5.691 5.589 -0.164 1.00 11.22 C ATOM 771 CD1 ILE A 53 8.551 6.424 0.347 1.00 51.13 C ATOM 0 H ILE A 53 7.964 4.205 -3.417 1.00 45.20 H new ATOM 0 HA ILE A 53 6.310 3.186 -1.197 1.00 3.34 H new ATOM 0 HB ILE A 53 6.902 6.102 -1.844 1.00 15.42 H new ATOM 0 HG12 ILE A 53 8.086 4.342 0.331 1.00 23.11 H new ATOM 0 HG13 ILE A 53 8.938 4.900 -1.095 1.00 23.11 H new ATOM 0 HG21 ILE A 53 5.915 6.508 0.377 1.00 11.22 H new ATOM 0 HG22 ILE A 53 4.761 5.712 -0.720 1.00 11.22 H new ATOM 0 HG23 ILE A 53 5.584 4.768 0.545 1.00 11.22 H new ATOM 0 HD11 ILE A 53 9.503 6.266 0.854 1.00 51.13 H new ATOM 0 HD12 ILE A 53 8.651 7.242 -0.367 1.00 51.13 H new ATOM 0 HD13 ILE A 53 7.786 6.675 1.082 1.00 51.13 H new ATOM 783 N PRO A 54 4.707 3.100 -3.262 1.00 52.01 N ATOM 784 CA PRO A 54 3.526 3.148 -4.130 1.00 51.43 C ATOM 785 C PRO A 54 2.284 3.640 -3.394 1.00 64.34 C ATOM 786 O PRO A 54 2.103 3.360 -2.209 1.00 52.43 O ATOM 787 CB PRO A 54 3.348 1.692 -4.566 1.00 32.21 C ATOM 788 CG PRO A 54 3.981 0.891 -3.481 1.00 5.01 C ATOM 789 CD PRO A 54 5.128 1.720 -2.970 1.00 12.13 C ATOM 0 HA PRO A 54 3.658 3.843 -4.959 1.00 51.43 H new ATOM 0 HB2 PRO A 54 2.294 1.439 -4.681 1.00 32.21 H new ATOM 0 HB3 PRO A 54 3.827 1.505 -5.527 1.00 32.21 H new ATOM 0 HG2 PRO A 54 3.267 0.679 -2.685 1.00 5.01 H new ATOM 0 HG3 PRO A 54 4.331 -0.070 -3.859 1.00 5.01 H new ATOM 0 HD2 PRO A 54 5.291 1.567 -1.903 1.00 12.13 H new ATOM 0 HD3 PRO A 54 6.061 1.469 -3.474 1.00 12.13 H new ATOM 797 N GLU A 55 1.434 4.374 -4.104 1.00 2.42 N ATOM 798 CA GLU A 55 0.209 4.906 -3.516 1.00 61.44 C ATOM 799 C GLU A 55 -0.955 4.799 -4.496 1.00 40.32 C ATOM 800 O GLU A 55 -1.697 5.760 -4.704 1.00 45.21 O ATOM 801 CB GLU A 55 0.409 6.364 -3.099 1.00 73.42 C ATOM 802 CG GLU A 55 1.720 6.616 -2.374 1.00 1.40 C ATOM 803 CD GLU A 55 2.794 7.174 -3.288 1.00 14.40 C ATOM 804 OE1 GLU A 55 2.640 7.060 -4.522 1.00 53.22 O ATOM 805 OE2 GLU A 55 3.787 7.725 -2.770 1.00 64.33 O ATOM 0 H GLU A 55 1.570 4.614 -5.086 1.00 2.42 H new ATOM 0 HA GLU A 55 -0.028 4.313 -2.632 1.00 61.44 H new ATOM 0 HB2 GLU A 55 0.367 6.996 -3.986 1.00 73.42 H new ATOM 0 HB3 GLU A 55 -0.417 6.665 -2.454 1.00 73.42 H new ATOM 0 HG2 GLU A 55 1.549 7.312 -1.553 1.00 1.40 H new ATOM 0 HG3 GLU A 55 2.072 5.684 -1.933 1.00 1.40 H new ATOM 812 N THR A 56 -1.110 3.624 -5.096 1.00 52.02 N ATOM 813 CA THR A 56 -2.183 3.391 -6.056 1.00 61.14 C ATOM 814 C THR A 56 -2.689 1.955 -5.977 1.00 34.01 C ATOM 815 O THR A 56 -1.902 1.013 -5.873 1.00 11.34 O ATOM 816 CB THR A 56 -1.720 3.683 -7.496 1.00 75.34 C ATOM 817 OG1 THR A 56 -0.814 2.664 -7.935 1.00 0.22 O ATOM 818 CG2 THR A 56 -1.045 5.042 -7.583 1.00 14.44 C ATOM 0 H THR A 56 -0.506 2.818 -4.935 1.00 52.02 H new ATOM 0 HA THR A 56 -2.993 4.073 -5.797 1.00 61.14 H new ATOM 0 HB THR A 56 -2.598 3.691 -8.142 1.00 75.34 H new ATOM 0 HG1 THR A 56 -0.650 2.764 -8.896 1.00 0.22 H new ATOM 0 HG21 THR A 56 -0.727 5.225 -8.609 1.00 14.44 H new ATOM 0 HG22 THR A 56 -1.747 5.817 -7.277 1.00 14.44 H new ATOM 0 HG23 THR A 56 -0.176 5.059 -6.925 1.00 14.44 H new ATOM 826 N LEU A 57 -4.006 1.794 -6.029 1.00 74.01 N ATOM 827 CA LEU A 57 -4.619 0.472 -5.964 1.00 60.34 C ATOM 828 C LEU A 57 -3.997 -0.468 -6.993 1.00 0.30 C ATOM 829 O LEU A 57 -3.896 -1.673 -6.767 1.00 24.33 O ATOM 830 CB LEU A 57 -6.127 0.574 -6.197 1.00 73.12 C ATOM 831 CG LEU A 57 -6.978 -0.539 -5.584 1.00 15.14 C ATOM 832 CD1 LEU A 57 -8.278 0.027 -5.032 1.00 74.12 C ATOM 833 CD2 LEU A 57 -7.261 -1.623 -6.614 1.00 2.14 C ATOM 0 H LEU A 57 -4.671 2.563 -6.116 1.00 74.01 H new ATOM 0 HA LEU A 57 -4.438 0.064 -4.969 1.00 60.34 H new ATOM 0 HB2 LEU A 57 -6.472 1.528 -5.799 1.00 73.12 H new ATOM 0 HB3 LEU A 57 -6.308 0.592 -7.272 1.00 73.12 H new ATOM 0 HG LEU A 57 -6.421 -0.985 -4.761 1.00 15.14 H new ATOM 0 HD11 LEU A 57 -8.871 -0.779 -4.600 1.00 74.12 H new ATOM 0 HD12 LEU A 57 -8.055 0.767 -4.263 1.00 74.12 H new ATOM 0 HD13 LEU A 57 -8.840 0.499 -5.838 1.00 74.12 H new ATOM 0 HD21 LEU A 57 -7.868 -2.407 -6.160 1.00 2.14 H new ATOM 0 HD22 LEU A 57 -7.798 -1.191 -7.458 1.00 2.14 H new ATOM 0 HD23 LEU A 57 -6.320 -2.049 -6.962 1.00 2.14 H new ATOM 845 N ASP A 58 -3.579 0.095 -8.122 1.00 74.45 N ATOM 846 CA ASP A 58 -2.963 -0.692 -9.185 1.00 72.23 C ATOM 847 C ASP A 58 -1.594 -1.209 -8.754 1.00 62.34 C ATOM 848 O ASP A 58 -1.215 -2.335 -9.080 1.00 11.33 O ATOM 849 CB ASP A 58 -2.828 0.146 -10.456 1.00 41.21 C ATOM 850 CG ASP A 58 -4.097 0.149 -11.286 1.00 75.35 C ATOM 851 OD1 ASP A 58 -5.089 0.770 -10.852 1.00 34.15 O ATOM 852 OD2 ASP A 58 -4.097 -0.470 -12.371 1.00 21.21 O ATOM 0 H ASP A 58 -3.655 1.092 -8.325 1.00 74.45 H new ATOM 0 HA ASP A 58 -3.607 -1.547 -9.390 1.00 72.23 H new ATOM 0 HB2 ASP A 58 -2.571 1.171 -10.186 1.00 41.21 H new ATOM 0 HB3 ASP A 58 -2.005 -0.241 -11.057 1.00 41.21 H new ATOM 857 N GLN A 59 -0.857 -0.381 -8.021 1.00 32.13 N ATOM 858 CA GLN A 59 0.470 -0.755 -7.548 1.00 61.10 C ATOM 859 C GLN A 59 0.388 -1.908 -6.552 1.00 43.40 C ATOM 860 O GLN A 59 1.193 -2.839 -6.598 1.00 52.01 O ATOM 861 CB GLN A 59 1.161 0.446 -6.900 1.00 10.14 C ATOM 862 CG GLN A 59 2.221 1.087 -7.781 1.00 63.02 C ATOM 863 CD GLN A 59 1.984 2.568 -7.996 1.00 42.20 C ATOM 864 OE1 GLN A 59 1.672 3.281 -6.921 1.00 2.45 O flip ATOM 865 NE2 GLN A 59 2.080 3.067 -9.118 1.00 4.45 N flip ATOM 0 H GLN A 59 -1.157 0.553 -7.742 1.00 32.13 H new ATOM 0 HA GLN A 59 1.056 -1.082 -8.407 1.00 61.10 H new ATOM 0 HB2 GLN A 59 0.410 1.194 -6.647 1.00 10.14 H new ATOM 0 HB3 GLN A 59 1.622 0.128 -5.965 1.00 10.14 H new ATOM 0 HG2 GLN A 59 3.201 0.942 -7.327 1.00 63.02 H new ATOM 0 HG3 GLN A 59 2.239 0.582 -8.747 1.00 63.02 H new ATOM 0 HE21 GLN A 59 2.322 2.482 -9.917 1.00 4.45 H new ATOM 0 HE22 GLN A 59 1.917 4.066 -9.248 1.00 4.45 H new ATOM 874 N LEU A 60 -0.587 -1.837 -5.654 1.00 31.51 N ATOM 875 CA LEU A 60 -0.773 -2.876 -4.646 1.00 13.25 C ATOM 876 C LEU A 60 -1.091 -4.217 -5.298 1.00 74.41 C ATOM 877 O LEU A 60 -0.418 -5.216 -5.045 1.00 61.24 O ATOM 878 CB LEU A 60 -1.897 -2.485 -3.684 1.00 14.41 C ATOM 879 CG LEU A 60 -1.503 -1.567 -2.527 1.00 64.30 C ATOM 880 CD1 LEU A 60 -0.528 -2.272 -1.595 1.00 55.55 C ATOM 881 CD2 LEU A 60 -0.898 -0.274 -3.054 1.00 10.42 C ATOM 0 H LEU A 60 -1.260 -1.073 -5.602 1.00 31.51 H new ATOM 0 HA LEU A 60 0.158 -2.976 -4.087 1.00 13.25 H new ATOM 0 HB2 LEU A 60 -2.684 -1.996 -4.257 1.00 14.41 H new ATOM 0 HB3 LEU A 60 -2.325 -3.397 -3.268 1.00 14.41 H new ATOM 0 HG LEU A 60 -2.402 -1.320 -1.962 1.00 64.30 H new ATOM 0 HD11 LEU A 60 -0.258 -1.604 -0.777 1.00 55.55 H new ATOM 0 HD12 LEU A 60 -0.996 -3.170 -1.191 1.00 55.55 H new ATOM 0 HD13 LEU A 60 0.369 -2.548 -2.149 1.00 55.55 H new ATOM 0 HD21 LEU A 60 -0.624 0.367 -2.216 1.00 10.42 H new ATOM 0 HD22 LEU A 60 -0.010 -0.502 -3.643 1.00 10.42 H new ATOM 0 HD23 LEU A 60 -1.627 0.240 -3.681 1.00 10.42 H new ATOM 893 N ARG A 61 -2.119 -4.231 -6.140 1.00 74.40 N ATOM 894 CA ARG A 61 -2.526 -5.450 -6.830 1.00 43.12 C ATOM 895 C ARG A 61 -1.373 -6.017 -7.655 1.00 35.34 C ATOM 896 O ARG A 61 -1.244 -7.233 -7.807 1.00 44.21 O ATOM 897 CB ARG A 61 -3.728 -5.174 -7.734 1.00 42.20 C ATOM 898 CG ARG A 61 -4.079 -6.333 -8.652 1.00 12.30 C ATOM 899 CD ARG A 61 -3.392 -6.203 -10.003 1.00 24.34 C ATOM 900 NE ARG A 61 -4.228 -5.506 -10.977 1.00 31.43 N ATOM 901 CZ ARG A 61 -5.311 -6.040 -11.532 1.00 23.43 C ATOM 902 NH1 ARG A 61 -5.687 -7.270 -11.209 1.00 42.00 N ATOM 903 NH2 ARG A 61 -6.020 -5.343 -12.410 1.00 60.23 N ATOM 0 H ARG A 61 -2.686 -3.412 -6.361 1.00 74.40 H new ATOM 0 HA ARG A 61 -2.809 -6.186 -6.078 1.00 43.12 H new ATOM 0 HB2 ARG A 61 -4.592 -4.939 -7.113 1.00 42.20 H new ATOM 0 HB3 ARG A 61 -3.521 -4.292 -8.340 1.00 42.20 H new ATOM 0 HG2 ARG A 61 -3.786 -7.272 -8.182 1.00 12.30 H new ATOM 0 HG3 ARG A 61 -5.159 -6.372 -8.794 1.00 12.30 H new ATOM 0 HD2 ARG A 61 -2.452 -5.665 -9.881 1.00 24.34 H new ATOM 0 HD3 ARG A 61 -3.145 -7.195 -10.381 1.00 24.34 H new ATOM 0 HE ARG A 61 -3.966 -4.558 -11.246 1.00 31.43 H new ATOM 0 HH11 ARG A 61 -5.145 -7.808 -10.533 1.00 42.00 H new ATOM 0 HH12 ARG A 61 -6.519 -7.678 -11.636 1.00 42.00 H new ATOM 0 HH21 ARG A 61 -5.734 -4.396 -12.660 1.00 60.23 H new ATOM 0 HH22 ARG A 61 -6.851 -5.754 -12.835 1.00 60.23 H new ATOM 917 N LEU A 62 -0.541 -5.130 -8.187 1.00 41.50 N ATOM 918 CA LEU A 62 0.600 -5.540 -8.997 1.00 51.20 C ATOM 919 C LEU A 62 1.651 -6.240 -8.142 1.00 42.44 C ATOM 920 O LEU A 62 2.100 -7.339 -8.467 1.00 73.45 O ATOM 921 CB LEU A 62 1.218 -4.328 -9.696 1.00 10.31 C ATOM 922 CG LEU A 62 0.534 -3.876 -10.987 1.00 60.31 C ATOM 923 CD1 LEU A 62 0.847 -2.416 -11.274 1.00 12.33 C ATOM 924 CD2 LEU A 62 0.964 -4.755 -12.153 1.00 3.20 C ATOM 0 H LEU A 62 -0.635 -4.121 -8.072 1.00 41.50 H new ATOM 0 HA LEU A 62 0.245 -6.243 -9.751 1.00 51.20 H new ATOM 0 HB2 LEU A 62 1.218 -3.492 -8.997 1.00 10.31 H new ATOM 0 HB3 LEU A 62 2.260 -4.556 -9.921 1.00 10.31 H new ATOM 0 HG LEU A 62 -0.544 -3.976 -10.860 1.00 60.31 H new ATOM 0 HD11 LEU A 62 0.352 -2.112 -12.196 1.00 12.33 H new ATOM 0 HD12 LEU A 62 0.490 -1.798 -10.450 1.00 12.33 H new ATOM 0 HD13 LEU A 62 1.924 -2.289 -11.382 1.00 12.33 H new ATOM 0 HD21 LEU A 62 0.468 -4.420 -13.064 1.00 3.20 H new ATOM 0 HD22 LEU A 62 2.044 -4.686 -12.282 1.00 3.20 H new ATOM 0 HD23 LEU A 62 0.688 -5.790 -11.950 1.00 3.20 H new ATOM 936 N VAL A 63 2.040 -5.595 -7.047 1.00 60.25 N ATOM 937 CA VAL A 63 3.037 -6.157 -6.143 1.00 24.22 C ATOM 938 C VAL A 63 2.620 -7.540 -5.656 1.00 33.11 C ATOM 939 O VAL A 63 3.463 -8.410 -5.430 1.00 14.52 O ATOM 940 CB VAL A 63 3.266 -5.244 -4.924 1.00 44.52 C ATOM 941 CG1 VAL A 63 4.333 -5.829 -4.010 1.00 75.45 C ATOM 942 CG2 VAL A 63 3.650 -3.841 -5.374 1.00 73.21 C ATOM 0 H VAL A 63 1.680 -4.683 -6.764 1.00 60.25 H new ATOM 0 HA VAL A 63 3.966 -6.238 -6.707 1.00 24.22 H new ATOM 0 HB VAL A 63 2.335 -5.179 -4.361 1.00 44.52 H new ATOM 0 HG11 VAL A 63 4.481 -5.170 -3.155 1.00 75.45 H new ATOM 0 HG12 VAL A 63 4.014 -6.811 -3.661 1.00 75.45 H new ATOM 0 HG13 VAL A 63 5.269 -5.926 -4.559 1.00 75.45 H new ATOM 0 HG21 VAL A 63 3.808 -3.209 -4.500 1.00 73.21 H new ATOM 0 HG22 VAL A 63 4.568 -3.885 -5.960 1.00 73.21 H new ATOM 0 HG23 VAL A 63 2.849 -3.423 -5.984 1.00 73.21 H new ATOM 952 N ILE A 64 1.316 -7.737 -5.497 1.00 21.14 N ATOM 953 CA ILE A 64 0.788 -9.016 -5.038 1.00 14.54 C ATOM 954 C ILE A 64 1.028 -10.111 -6.071 1.00 33.20 C ATOM 955 O ILE A 64 1.670 -11.121 -5.781 1.00 42.42 O ATOM 956 CB ILE A 64 -0.722 -8.927 -4.742 1.00 63.32 C ATOM 957 CG1 ILE A 64 -0.990 -7.882 -3.657 1.00 3.21 C ATOM 958 CG2 ILE A 64 -1.259 -10.286 -4.320 1.00 31.33 C ATOM 959 CD1 ILE A 64 -2.359 -7.245 -3.756 1.00 61.15 C ATOM 0 H ILE A 64 0.606 -7.028 -5.679 1.00 21.14 H new ATOM 0 HA ILE A 64 1.317 -9.265 -4.118 1.00 14.54 H new ATOM 0 HB ILE A 64 -1.239 -8.620 -5.651 1.00 63.32 H new ATOM 0 HG12 ILE A 64 -0.886 -8.351 -2.679 1.00 3.21 H new ATOM 0 HG13 ILE A 64 -0.230 -7.103 -3.719 1.00 3.21 H new ATOM 0 HG21 ILE A 64 -2.327 -10.207 -4.114 1.00 31.33 H new ATOM 0 HG22 ILE A 64 -1.096 -11.007 -5.121 1.00 31.33 H new ATOM 0 HG23 ILE A 64 -0.740 -10.619 -3.421 1.00 31.33 H new ATOM 0 HD11 ILE A 64 -2.479 -6.515 -2.956 1.00 61.15 H new ATOM 0 HD12 ILE A 64 -2.459 -6.746 -4.720 1.00 61.15 H new ATOM 0 HD13 ILE A 64 -3.126 -8.014 -3.664 1.00 61.15 H new ATOM 971 N CYS A 65 0.508 -9.906 -7.276 1.00 11.32 N ATOM 972 CA CYS A 65 0.668 -10.876 -8.353 1.00 15.02 C ATOM 973 C CYS A 65 2.136 -11.238 -8.547 1.00 44.11 C ATOM 974 O CYS A 65 2.464 -12.362 -8.927 1.00 11.11 O ATOM 975 CB CYS A 65 0.090 -10.321 -9.656 1.00 74.45 C ATOM 976 SG CYS A 65 -1.649 -10.735 -9.928 1.00 32.12 S ATOM 0 H CYS A 65 -0.028 -9.077 -7.532 1.00 11.32 H new ATOM 0 HA CYS A 65 0.124 -11.780 -8.078 1.00 15.02 H new ATOM 0 HB2 CYS A 65 0.198 -9.236 -9.656 1.00 74.45 H new ATOM 0 HB3 CYS A 65 0.678 -10.700 -10.492 1.00 74.45 H new ATOM 0 HG CYS A 65 -2.047 -10.220 -11.053 1.00 32.12 H new ATOM 982 N ASP A 66 3.016 -10.278 -8.284 1.00 2.44 N ATOM 983 CA ASP A 66 4.451 -10.495 -8.430 1.00 34.21 C ATOM 984 C ASP A 66 4.984 -11.375 -7.304 1.00 3.13 C ATOM 985 O ASP A 66 5.448 -12.490 -7.540 1.00 64.22 O ATOM 986 CB ASP A 66 5.192 -9.156 -8.443 1.00 72.43 C ATOM 987 CG ASP A 66 4.594 -8.174 -9.431 1.00 54.11 C ATOM 988 OD1 ASP A 66 3.971 -8.626 -10.415 1.00 34.43 O ATOM 989 OD2 ASP A 66 4.749 -6.953 -9.220 1.00 41.01 O ATOM 0 H ASP A 66 2.761 -9.342 -7.969 1.00 2.44 H new ATOM 0 HA ASP A 66 4.623 -11.005 -9.378 1.00 34.21 H new ATOM 0 HB2 ASP A 66 5.169 -8.721 -7.444 1.00 72.43 H new ATOM 0 HB3 ASP A 66 6.239 -9.326 -8.692 1.00 72.43 H new ATOM 994 N LEU A 67 4.916 -10.865 -6.079 1.00 43.22 N ATOM 995 CA LEU A 67 5.394 -11.604 -4.915 1.00 31.01 C ATOM 996 C LEU A 67 4.782 -13.000 -4.868 1.00 12.20 C ATOM 997 O LEU A 67 5.452 -13.970 -4.517 1.00 43.12 O ATOM 998 CB LEU A 67 5.058 -10.844 -3.630 1.00 52.43 C ATOM 999 CG LEU A 67 5.829 -11.265 -2.380 1.00 24.32 C ATOM 1000 CD1 LEU A 67 7.324 -11.072 -2.584 1.00 2.23 C ATOM 1001 CD2 LEU A 67 5.349 -10.482 -1.167 1.00 75.30 C ATOM 0 H LEU A 67 4.535 -9.943 -5.866 1.00 43.22 H new ATOM 0 HA LEU A 67 6.476 -11.704 -4.998 1.00 31.01 H new ATOM 0 HB2 LEU A 67 5.237 -9.783 -3.802 1.00 52.43 H new ATOM 0 HB3 LEU A 67 3.993 -10.960 -3.431 1.00 52.43 H new ATOM 0 HG LEU A 67 5.641 -12.324 -2.201 1.00 24.32 H new ATOM 0 HD11 LEU A 67 7.857 -11.377 -1.683 1.00 2.23 H new ATOM 0 HD12 LEU A 67 7.658 -11.679 -3.426 1.00 2.23 H new ATOM 0 HD13 LEU A 67 7.531 -10.022 -2.789 1.00 2.23 H new ATOM 0 HD21 LEU A 67 5.910 -10.796 -0.286 1.00 75.30 H new ATOM 0 HD22 LEU A 67 5.505 -9.417 -1.336 1.00 75.30 H new ATOM 0 HD23 LEU A 67 4.288 -10.672 -1.008 1.00 75.30 H new ATOM 1013 N GLN A 68 3.504 -13.093 -5.225 1.00 1.13 N ATOM 1014 CA GLN A 68 2.803 -14.372 -5.223 1.00 1.51 C ATOM 1015 C GLN A 68 3.345 -15.290 -6.312 1.00 63.05 C ATOM 1016 O GLN A 68 3.489 -16.495 -6.106 1.00 31.02 O ATOM 1017 CB GLN A 68 1.302 -14.153 -5.425 1.00 30.25 C ATOM 1018 CG GLN A 68 0.517 -15.445 -5.594 1.00 3.53 C ATOM 1019 CD GLN A 68 0.561 -16.320 -4.358 1.00 61.41 C ATOM 1020 OE1 GLN A 68 1.004 -15.889 -3.293 1.00 21.41 O ATOM 1021 NE2 GLN A 68 0.101 -17.558 -4.492 1.00 12.01 N ATOM 0 H GLN A 68 2.934 -12.299 -5.519 1.00 1.13 H new ATOM 0 HA GLN A 68 2.968 -14.848 -4.256 1.00 1.51 H new ATOM 0 HB2 GLN A 68 0.905 -13.605 -4.571 1.00 30.25 H new ATOM 0 HB3 GLN A 68 1.149 -13.527 -6.304 1.00 30.25 H new ATOM 0 HG2 GLN A 68 -0.520 -15.207 -5.829 1.00 3.53 H new ATOM 0 HG3 GLN A 68 0.917 -16.000 -6.442 1.00 3.53 H new ATOM 0 HE21 GLN A 68 -0.257 -17.874 -5.393 1.00 12.01 H new ATOM 0 HE22 GLN A 68 0.106 -18.193 -3.694 1.00 12.01 H new ATOM 1030 N GLU A 69 3.645 -14.714 -7.472 1.00 62.00 N ATOM 1031 CA GLU A 69 4.171 -15.483 -8.594 1.00 55.22 C ATOM 1032 C GLU A 69 5.476 -16.176 -8.214 1.00 43.05 C ATOM 1033 O GLU A 69 5.687 -17.345 -8.537 1.00 32.54 O ATOM 1034 CB GLU A 69 4.397 -14.574 -9.803 1.00 11.51 C ATOM 1035 CG GLU A 69 3.245 -14.583 -10.795 1.00 53.24 C ATOM 1036 CD GLU A 69 3.533 -15.435 -12.016 1.00 35.22 C ATOM 1037 OE1 GLU A 69 4.226 -14.945 -12.931 1.00 23.24 O ATOM 1038 OE2 GLU A 69 3.064 -16.592 -12.056 1.00 1.12 O ATOM 0 H GLU A 69 3.533 -13.718 -7.659 1.00 62.00 H new ATOM 0 HA GLU A 69 3.437 -16.246 -8.854 1.00 55.22 H new ATOM 0 HB2 GLU A 69 4.558 -13.554 -9.455 1.00 11.51 H new ATOM 0 HB3 GLU A 69 5.308 -14.884 -10.314 1.00 11.51 H new ATOM 0 HG2 GLU A 69 2.348 -14.955 -10.301 1.00 53.24 H new ATOM 0 HG3 GLU A 69 3.035 -13.561 -11.111 1.00 53.24 H new ATOM 1045 N ARG A 70 6.349 -15.445 -7.528 1.00 61.04 N ATOM 1046 CA ARG A 70 7.634 -15.988 -7.106 1.00 61.42 C ATOM 1047 C ARG A 70 7.448 -17.053 -6.028 1.00 73.43 C ATOM 1048 O ARG A 70 7.824 -18.210 -6.214 1.00 63.41 O ATOM 1049 CB ARG A 70 8.537 -14.870 -6.581 1.00 20.14 C ATOM 1050 CG ARG A 70 9.046 -13.938 -7.668 1.00 51.31 C ATOM 1051 CD ARG A 70 9.584 -12.641 -7.084 1.00 32.15 C ATOM 1052 NE ARG A 70 10.830 -12.229 -7.721 1.00 43.24 N ATOM 1053 CZ ARG A 70 11.994 -12.840 -7.525 1.00 22.14 C ATOM 1054 NH1 ARG A 70 12.069 -13.885 -6.713 1.00 13.10 N ATOM 1055 NH2 ARG A 70 13.086 -12.405 -8.142 1.00 1.24 N ATOM 0 H ARG A 70 6.190 -14.476 -7.253 1.00 61.04 H new ATOM 0 HA ARG A 70 8.106 -16.451 -7.973 1.00 61.42 H new ATOM 0 HB2 ARG A 70 7.987 -14.287 -5.842 1.00 20.14 H new ATOM 0 HB3 ARG A 70 9.389 -15.314 -6.066 1.00 20.14 H new ATOM 0 HG2 ARG A 70 9.832 -14.436 -8.237 1.00 51.31 H new ATOM 0 HG3 ARG A 70 8.239 -13.717 -8.366 1.00 51.31 H new ATOM 0 HD2 ARG A 70 8.839 -11.854 -7.202 1.00 32.15 H new ATOM 0 HD3 ARG A 70 9.748 -12.766 -6.014 1.00 32.15 H new ATOM 0 HE ARG A 70 10.807 -11.428 -8.352 1.00 43.24 H new ATOM 0 HH11 ARG A 70 11.232 -14.222 -6.237 1.00 13.10 H new ATOM 0 HH12 ARG A 70 12.963 -14.352 -6.564 1.00 13.10 H new ATOM 0 HH21 ARG A 70 13.032 -11.601 -8.767 1.00 1.24 H new ATOM 0 HH22 ARG A 70 13.979 -12.875 -7.991 1.00 1.24 H new ATOM 1069 N ARG A 71 6.864 -16.654 -4.904 1.00 31.01 N ATOM 1070 CA ARG A 71 6.629 -17.572 -3.796 1.00 74.22 C ATOM 1071 C ARG A 71 5.901 -18.826 -4.276 1.00 63.30 C ATOM 1072 O ARG A 71 6.076 -19.907 -3.715 1.00 55.24 O ATOM 1073 CB ARG A 71 5.813 -16.886 -2.700 1.00 2.32 C ATOM 1074 CG ARG A 71 5.335 -17.834 -1.612 1.00 1.55 C ATOM 1075 CD ARG A 71 3.836 -18.071 -1.699 1.00 13.11 C ATOM 1076 NE ARG A 71 3.255 -18.389 -0.397 1.00 42.31 N ATOM 1077 CZ ARG A 71 2.089 -19.006 -0.244 1.00 10.32 C ATOM 1078 NH1 ARG A 71 1.384 -19.371 -1.305 1.00 73.11 N ATOM 1079 NH2 ARG A 71 1.627 -19.261 0.974 1.00 12.13 N ATOM 0 H ARG A 71 6.544 -15.700 -4.736 1.00 31.01 H new ATOM 0 HA ARG A 71 7.597 -17.865 -3.389 1.00 74.22 H new ATOM 0 HB2 ARG A 71 6.418 -16.101 -2.246 1.00 2.32 H new ATOM 0 HB3 ARG A 71 4.948 -16.401 -3.153 1.00 2.32 H new ATOM 0 HG2 ARG A 71 5.860 -18.785 -1.700 1.00 1.55 H new ATOM 0 HG3 ARG A 71 5.583 -17.422 -0.634 1.00 1.55 H new ATOM 0 HD2 ARG A 71 3.352 -17.183 -2.105 1.00 13.11 H new ATOM 0 HD3 ARG A 71 3.638 -18.887 -2.393 1.00 13.11 H new ATOM 0 HE ARG A 71 3.773 -18.123 0.440 1.00 42.31 H new ATOM 0 HH11 ARG A 71 1.737 -19.178 -2.243 1.00 73.11 H new ATOM 0 HH12 ARG A 71 0.489 -19.845 -1.184 1.00 73.11 H new ATOM 0 HH21 ARG A 71 2.168 -18.983 1.793 1.00 12.13 H new ATOM 0 HH22 ARG A 71 0.731 -19.735 1.091 1.00 12.13 H new ATOM 1093 N GLU A 72 5.086 -18.671 -5.314 1.00 42.34 N ATOM 1094 CA GLU A 72 4.332 -19.790 -5.866 1.00 41.33 C ATOM 1095 C GLU A 72 5.263 -20.788 -6.550 1.00 53.22 C ATOM 1096 O GLU A 72 5.251 -21.979 -6.241 1.00 71.02 O ATOM 1097 CB GLU A 72 3.286 -19.286 -6.863 1.00 72.20 C ATOM 1098 CG GLU A 72 2.544 -20.401 -7.581 1.00 1.42 C ATOM 1099 CD GLU A 72 1.445 -19.880 -8.488 1.00 63.03 C ATOM 1100 OE1 GLU A 72 0.436 -20.594 -8.666 1.00 32.44 O ATOM 1101 OE2 GLU A 72 1.595 -18.760 -9.020 1.00 23.54 O ATOM 0 H GLU A 72 4.931 -17.782 -5.789 1.00 42.34 H new ATOM 0 HA GLU A 72 3.826 -20.296 -5.044 1.00 41.33 H new ATOM 0 HB2 GLU A 72 2.565 -18.662 -6.336 1.00 72.20 H new ATOM 0 HB3 GLU A 72 3.776 -18.652 -7.602 1.00 72.20 H new ATOM 0 HG2 GLU A 72 3.252 -20.982 -8.171 1.00 1.42 H new ATOM 0 HG3 GLU A 72 2.112 -21.078 -6.844 1.00 1.42 H new ATOM 1108 N LYS A 73 6.068 -20.292 -7.484 1.00 43.44 N ATOM 1109 CA LYS A 73 7.007 -21.137 -8.213 1.00 72.32 C ATOM 1110 C LYS A 73 7.864 -21.953 -7.251 1.00 73.53 C ATOM 1111 O LYS A 73 8.154 -23.124 -7.502 1.00 64.04 O ATOM 1112 CB LYS A 73 7.902 -20.283 -9.112 1.00 4.22 C ATOM 1113 CG LYS A 73 8.525 -21.056 -10.261 1.00 72.34 C ATOM 1114 CD LYS A 73 9.851 -20.449 -10.689 1.00 50.11 C ATOM 1115 CE LYS A 73 9.653 -19.344 -11.715 1.00 43.44 C ATOM 1116 NZ LYS A 73 10.950 -18.773 -12.173 1.00 44.31 N ATOM 0 H LYS A 73 6.089 -19.309 -7.754 1.00 43.44 H new ATOM 0 HA LYS A 73 6.432 -21.825 -8.833 1.00 72.32 H new ATOM 0 HB2 LYS A 73 7.315 -19.458 -9.516 1.00 4.22 H new ATOM 0 HB3 LYS A 73 8.696 -19.844 -8.508 1.00 4.22 H new ATOM 0 HG2 LYS A 73 8.678 -22.093 -9.962 1.00 72.34 H new ATOM 0 HG3 LYS A 73 7.839 -21.067 -11.108 1.00 72.34 H new ATOM 0 HD2 LYS A 73 10.367 -20.049 -9.817 1.00 50.11 H new ATOM 0 HD3 LYS A 73 10.490 -21.226 -11.109 1.00 50.11 H new ATOM 0 HE2 LYS A 73 9.107 -19.738 -12.572 1.00 43.44 H new ATOM 0 HE3 LYS A 73 9.040 -18.553 -11.283 1.00 43.44 H new ATOM 0 HZ1 LYS A 73 10.772 -18.023 -12.871 1.00 44.31 H new ATOM 0 HZ2 LYS A 73 11.460 -18.374 -11.359 1.00 44.31 H new ATOM 0 HZ3 LYS A 73 11.525 -19.522 -12.609 1.00 44.31 H new ATOM 1130 N PHE A 74 8.266 -21.331 -6.149 1.00 12.14 N ATOM 1131 CA PHE A 74 9.089 -22.000 -5.148 1.00 43.52 C ATOM 1132 C PHE A 74 8.232 -22.856 -4.221 1.00 55.51 C ATOM 1133 O PHE A 74 8.708 -23.831 -3.642 1.00 73.54 O ATOM 1134 CB PHE A 74 9.873 -20.970 -4.331 1.00 41.01 C ATOM 1135 CG PHE A 74 10.940 -21.579 -3.465 1.00 51.52 C ATOM 1136 CD1 PHE A 74 10.729 -21.758 -2.108 1.00 62.35 C ATOM 1137 CD2 PHE A 74 12.152 -21.970 -4.010 1.00 22.31 C ATOM 1138 CE1 PHE A 74 11.709 -22.318 -1.309 1.00 13.51 C ATOM 1139 CE2 PHE A 74 13.135 -22.530 -3.217 1.00 61.40 C ATOM 1140 CZ PHE A 74 12.913 -22.704 -1.864 1.00 4.22 C ATOM 0 H PHE A 74 8.035 -20.363 -5.926 1.00 12.14 H new ATOM 0 HA PHE A 74 9.791 -22.652 -5.668 1.00 43.52 H new ATOM 0 HB2 PHE A 74 10.333 -20.253 -5.011 1.00 41.01 H new ATOM 0 HB3 PHE A 74 9.179 -20.413 -3.701 1.00 41.01 H new ATOM 0 HD1 PHE A 74 9.789 -21.457 -1.669 1.00 62.35 H new ATOM 0 HD2 PHE A 74 12.331 -21.836 -5.067 1.00 22.31 H new ATOM 0 HE1 PHE A 74 11.533 -22.453 -0.252 1.00 13.51 H new ATOM 0 HE2 PHE A 74 14.076 -22.831 -3.654 1.00 61.40 H new ATOM 0 HZ PHE A 74 13.680 -23.141 -1.242 1.00 4.22 H new ATOM 1150 N GLY A 75 6.962 -22.483 -4.087 1.00 65.40 N ATOM 1151 CA GLY A 75 6.058 -23.226 -3.229 1.00 60.33 C ATOM 1152 C GLY A 75 5.238 -22.322 -2.330 1.00 3.11 C ATOM 1153 O GLY A 75 4.344 -21.617 -2.797 1.00 71.12 O ATOM 0 H GLY A 75 6.544 -21.680 -4.557 1.00 65.40 H new ATOM 0 HA2 GLY A 75 5.388 -23.825 -3.845 1.00 60.33 H new ATOM 0 HA3 GLY A 75 6.632 -23.920 -2.615 1.00 60.33 H new ATOM 1157 N SER A 76 5.542 -22.344 -1.036 1.00 14.35 N ATOM 1158 CA SER A 76 4.822 -21.524 -0.069 1.00 65.42 C ATOM 1159 C SER A 76 5.785 -20.901 0.938 1.00 34.20 C ATOM 1160 O SER A 76 6.932 -21.327 1.062 1.00 41.45 O ATOM 1161 CB SER A 76 3.774 -22.364 0.664 1.00 62.33 C ATOM 1162 OG SER A 76 3.975 -23.748 0.431 1.00 53.53 O ATOM 0 H SER A 76 6.281 -22.920 -0.634 1.00 14.35 H new ATOM 0 HA SER A 76 4.321 -20.722 -0.611 1.00 65.42 H new ATOM 0 HB2 SER A 76 3.824 -22.161 1.734 1.00 62.33 H new ATOM 0 HB3 SER A 76 2.776 -22.077 0.332 1.00 62.33 H new ATOM 0 HG SER A 76 3.294 -24.263 0.912 1.00 53.53 H new ATOM 1168 N SER A 77 5.307 -19.889 1.655 1.00 25.23 N ATOM 1169 CA SER A 77 6.126 -19.203 2.649 1.00 31.30 C ATOM 1170 C SER A 77 5.262 -18.337 3.560 1.00 33.11 C ATOM 1171 O SER A 77 4.483 -17.505 3.092 1.00 64.03 O ATOM 1172 CB SER A 77 7.184 -18.341 1.960 1.00 44.21 C ATOM 1173 OG SER A 77 7.654 -17.322 2.827 1.00 41.32 O ATOM 0 H SER A 77 4.358 -19.526 1.567 1.00 25.23 H new ATOM 0 HA SER A 77 6.623 -19.958 3.259 1.00 31.30 H new ATOM 0 HB2 SER A 77 8.018 -18.967 1.643 1.00 44.21 H new ATOM 0 HB3 SER A 77 6.763 -17.892 1.060 1.00 44.21 H new ATOM 0 HG SER A 77 8.585 -17.109 2.607 1.00 41.32 H new ATOM 1179 N LYS A 78 5.403 -18.538 4.866 1.00 72.41 N ATOM 1180 CA LYS A 78 4.638 -17.776 5.846 1.00 75.14 C ATOM 1181 C LYS A 78 4.937 -16.285 5.729 1.00 64.42 C ATOM 1182 O LYS A 78 4.037 -15.453 5.826 1.00 75.30 O ATOM 1183 CB LYS A 78 4.955 -18.263 7.261 1.00 3.43 C ATOM 1184 CG LYS A 78 4.006 -19.337 7.763 1.00 35.14 C ATOM 1185 CD LYS A 78 4.754 -20.468 8.447 1.00 32.41 C ATOM 1186 CE LYS A 78 5.194 -20.077 9.850 1.00 42.12 C ATOM 1187 NZ LYS A 78 4.280 -20.623 10.890 1.00 50.11 N ATOM 0 H LYS A 78 6.041 -19.223 5.271 1.00 72.41 H new ATOM 0 HA LYS A 78 3.578 -17.932 5.645 1.00 75.14 H new ATOM 0 HB2 LYS A 78 5.973 -18.651 7.283 1.00 3.43 H new ATOM 0 HB3 LYS A 78 4.923 -17.414 7.944 1.00 3.43 H new ATOM 0 HG2 LYS A 78 3.294 -18.897 8.461 1.00 35.14 H new ATOM 0 HG3 LYS A 78 3.430 -19.734 6.927 1.00 35.14 H new ATOM 0 HD2 LYS A 78 4.115 -21.350 8.497 1.00 32.41 H new ATOM 0 HD3 LYS A 78 5.627 -20.740 7.853 1.00 32.41 H new ATOM 0 HE2 LYS A 78 6.206 -20.441 10.028 1.00 42.12 H new ATOM 0 HE3 LYS A 78 5.228 -18.990 9.930 1.00 42.12 H new ATOM 0 HZ1 LYS A 78 4.614 -20.335 11.832 1.00 50.11 H new ATOM 0 HZ2 LYS A 78 3.319 -20.255 10.736 1.00 50.11 H new ATOM 0 HZ3 LYS A 78 4.267 -21.661 10.830 1.00 50.11 H new ATOM 1201 N GLU A 79 6.208 -15.956 5.520 1.00 21.01 N ATOM 1202 CA GLU A 79 6.625 -14.565 5.390 1.00 34.34 C ATOM 1203 C GLU A 79 5.988 -13.918 4.163 1.00 24.22 C ATOM 1204 O GLU A 79 5.512 -12.784 4.224 1.00 53.33 O ATOM 1205 CB GLU A 79 8.149 -14.472 5.296 1.00 10.13 C ATOM 1206 CG GLU A 79 8.826 -14.202 6.629 1.00 30.34 C ATOM 1207 CD GLU A 79 9.495 -15.434 7.205 1.00 72.50 C ATOM 1208 OE1 GLU A 79 8.790 -16.441 7.427 1.00 33.42 O ATOM 1209 OE2 GLU A 79 10.722 -15.393 7.434 1.00 72.25 O ATOM 0 H GLU A 79 6.966 -16.633 5.437 1.00 21.01 H new ATOM 0 HA GLU A 79 6.290 -14.028 6.278 1.00 34.34 H new ATOM 0 HB2 GLU A 79 8.537 -15.403 4.883 1.00 10.13 H new ATOM 0 HB3 GLU A 79 8.414 -13.679 4.597 1.00 10.13 H new ATOM 0 HG2 GLU A 79 9.570 -13.416 6.501 1.00 30.34 H new ATOM 0 HG3 GLU A 79 8.087 -13.830 7.338 1.00 30.34 H new ATOM 1216 N ILE A 80 5.985 -14.647 3.053 1.00 41.22 N ATOM 1217 CA ILE A 80 5.407 -14.146 1.812 1.00 15.22 C ATOM 1218 C ILE A 80 3.891 -14.021 1.924 1.00 42.43 C ATOM 1219 O ILE A 80 3.320 -12.976 1.611 1.00 13.31 O ATOM 1220 CB ILE A 80 5.749 -15.061 0.622 1.00 52.55 C ATOM 1221 CG1 ILE A 80 7.267 -15.180 0.462 1.00 74.20 C ATOM 1222 CG2 ILE A 80 5.117 -14.527 -0.656 1.00 4.12 C ATOM 1223 CD1 ILE A 80 7.941 -13.876 0.099 1.00 71.04 C ATOM 0 H ILE A 80 6.376 -15.587 2.987 1.00 41.22 H new ATOM 0 HA ILE A 80 5.839 -13.161 1.637 1.00 15.22 H new ATOM 0 HB ILE A 80 5.344 -16.054 0.818 1.00 52.55 H new ATOM 0 HG12 ILE A 80 7.694 -15.553 1.393 1.00 74.20 H new ATOM 0 HG13 ILE A 80 7.486 -15.919 -0.308 1.00 74.20 H new ATOM 0 HG21 ILE A 80 5.368 -15.185 -1.488 1.00 4.12 H new ATOM 0 HG22 ILE A 80 4.034 -14.488 -0.538 1.00 4.12 H new ATOM 0 HG23 ILE A 80 5.496 -13.525 -0.858 1.00 4.12 H new ATOM 0 HD11 ILE A 80 9.015 -14.036 0.002 1.00 71.04 H new ATOM 0 HD12 ILE A 80 7.542 -13.511 -0.847 1.00 71.04 H new ATOM 0 HD13 ILE A 80 7.753 -13.139 0.880 1.00 71.04 H new ATOM 1235 N ASP A 81 3.246 -15.092 2.371 1.00 31.23 N ATOM 1236 CA ASP A 81 1.796 -15.101 2.527 1.00 35.30 C ATOM 1237 C ASP A 81 1.329 -13.902 3.344 1.00 12.34 C ATOM 1238 O ASP A 81 0.287 -13.311 3.059 1.00 2.02 O ATOM 1239 CB ASP A 81 1.342 -16.399 3.198 1.00 0.15 C ATOM 1240 CG ASP A 81 -0.065 -16.303 3.753 1.00 0.31 C ATOM 1241 OD1 ASP A 81 -1.024 -16.478 2.972 1.00 70.50 O ATOM 1242 OD2 ASP A 81 -0.207 -16.052 4.968 1.00 14.33 O ATOM 0 H ASP A 81 3.704 -15.965 2.632 1.00 31.23 H new ATOM 0 HA ASP A 81 1.349 -15.038 1.535 1.00 35.30 H new ATOM 0 HB2 ASP A 81 1.390 -17.214 2.476 1.00 0.15 H new ATOM 0 HB3 ASP A 81 2.031 -16.648 4.005 1.00 0.15 H new ATOM 1247 N MET A 82 2.106 -13.547 4.363 1.00 53.22 N ATOM 1248 CA MET A 82 1.772 -12.416 5.222 1.00 73.23 C ATOM 1249 C MET A 82 1.954 -11.097 4.479 1.00 13.43 C ATOM 1250 O MET A 82 1.068 -10.242 4.488 1.00 10.33 O ATOM 1251 CB MET A 82 2.641 -12.430 6.480 1.00 73.55 C ATOM 1252 CG MET A 82 1.849 -12.265 7.768 1.00 42.15 C ATOM 1253 SD MET A 82 2.234 -10.727 8.627 1.00 30.10 S ATOM 1254 CE MET A 82 3.418 -11.305 9.840 1.00 33.44 C ATOM 0 H MET A 82 2.971 -14.026 4.614 1.00 53.22 H new ATOM 0 HA MET A 82 0.725 -12.508 5.511 1.00 73.23 H new ATOM 0 HB2 MET A 82 3.193 -13.369 6.520 1.00 73.55 H new ATOM 0 HB3 MET A 82 3.378 -11.630 6.411 1.00 73.55 H new ATOM 0 HG2 MET A 82 0.783 -12.293 7.541 1.00 42.15 H new ATOM 0 HG3 MET A 82 2.056 -13.107 8.428 1.00 42.15 H new ATOM 0 HE1 MET A 82 3.752 -10.466 10.451 1.00 33.44 H new ATOM 0 HE2 MET A 82 2.949 -12.055 10.477 1.00 33.44 H new ATOM 0 HE3 MET A 82 4.275 -11.746 9.331 1.00 33.44 H new ATOM 1264 N ALA A 83 3.105 -10.938 3.836 1.00 61.51 N ATOM 1265 CA ALA A 83 3.402 -9.723 3.087 1.00 71.44 C ATOM 1266 C ALA A 83 2.345 -9.466 2.018 1.00 52.14 C ATOM 1267 O ALA A 83 1.868 -8.343 1.861 1.00 53.21 O ATOM 1268 CB ALA A 83 4.783 -9.816 2.455 1.00 12.02 C ATOM 0 H ALA A 83 3.848 -11.636 3.818 1.00 61.51 H new ATOM 0 HA ALA A 83 3.389 -8.884 3.783 1.00 71.44 H new ATOM 0 HB1 ALA A 83 4.991 -8.902 1.899 1.00 12.02 H new ATOM 0 HB2 ALA A 83 5.533 -9.944 3.236 1.00 12.02 H new ATOM 0 HB3 ALA A 83 4.816 -10.669 1.777 1.00 12.02 H new ATOM 1274 N ILE A 84 1.985 -10.514 1.284 1.00 60.33 N ATOM 1275 CA ILE A 84 0.985 -10.402 0.230 1.00 22.01 C ATOM 1276 C ILE A 84 -0.355 -9.939 0.792 1.00 54.11 C ATOM 1277 O ILE A 84 -0.945 -8.974 0.304 1.00 61.32 O ATOM 1278 CB ILE A 84 0.787 -11.741 -0.504 1.00 32.20 C ATOM 1279 CG1 ILE A 84 2.105 -12.209 -1.122 1.00 63.30 C ATOM 1280 CG2 ILE A 84 -0.287 -11.605 -1.573 1.00 23.31 C ATOM 1281 CD1 ILE A 84 2.132 -13.687 -1.441 1.00 42.33 C ATOM 0 H ILE A 84 2.372 -11.451 1.400 1.00 60.33 H new ATOM 0 HA ILE A 84 1.355 -9.661 -0.479 1.00 22.01 H new ATOM 0 HB ILE A 84 0.461 -12.489 0.218 1.00 32.20 H new ATOM 0 HG12 ILE A 84 2.289 -11.645 -2.036 1.00 63.30 H new ATOM 0 HG13 ILE A 84 2.920 -11.979 -0.436 1.00 63.30 H new ATOM 0 HG21 ILE A 84 -0.416 -12.560 -2.083 1.00 23.31 H new ATOM 0 HG22 ILE A 84 -1.228 -11.312 -1.108 1.00 23.31 H new ATOM 0 HG23 ILE A 84 0.012 -10.845 -2.295 1.00 23.31 H new ATOM 0 HD11 ILE A 84 3.097 -13.948 -1.876 1.00 42.33 H new ATOM 0 HD12 ILE A 84 1.980 -14.260 -0.526 1.00 42.33 H new ATOM 0 HD13 ILE A 84 1.339 -13.921 -2.151 1.00 42.33 H new ATOM 1293 N VAL A 85 -0.831 -10.633 1.821 1.00 23.10 N ATOM 1294 CA VAL A 85 -2.100 -10.292 2.451 1.00 2.25 C ATOM 1295 C VAL A 85 -2.061 -8.887 3.044 1.00 43.04 C ATOM 1296 O VAL A 85 -3.019 -8.123 2.925 1.00 22.14 O ATOM 1297 CB VAL A 85 -2.462 -11.295 3.563 1.00 54.51 C ATOM 1298 CG1 VAL A 85 -3.769 -10.900 4.234 1.00 32.43 C ATOM 1299 CG2 VAL A 85 -2.548 -12.706 3.000 1.00 44.51 C ATOM 0 H VAL A 85 -0.356 -11.435 2.236 1.00 23.10 H new ATOM 0 HA VAL A 85 -2.861 -10.333 1.671 1.00 2.25 H new ATOM 0 HB VAL A 85 -1.674 -11.276 4.316 1.00 54.51 H new ATOM 0 HG11 VAL A 85 -4.008 -11.620 5.017 1.00 32.43 H new ATOM 0 HG12 VAL A 85 -3.667 -9.907 4.673 1.00 32.43 H new ATOM 0 HG13 VAL A 85 -4.569 -10.889 3.494 1.00 32.43 H new ATOM 0 HG21 VAL A 85 -2.805 -13.402 3.799 1.00 44.51 H new ATOM 0 HG22 VAL A 85 -3.315 -12.743 2.226 1.00 44.51 H new ATOM 0 HG23 VAL A 85 -1.586 -12.986 2.571 1.00 44.51 H new ATOM 1309 N THR A 86 -0.944 -8.551 3.682 1.00 41.35 N ATOM 1310 CA THR A 86 -0.777 -7.239 4.294 1.00 53.14 C ATOM 1311 C THR A 86 -1.011 -6.126 3.278 1.00 51.51 C ATOM 1312 O THR A 86 -1.665 -5.126 3.577 1.00 22.32 O ATOM 1313 CB THR A 86 0.628 -7.076 4.902 1.00 25.23 C ATOM 1314 OG1 THR A 86 0.840 -8.064 5.918 1.00 52.41 O ATOM 1315 CG2 THR A 86 0.803 -5.686 5.494 1.00 64.42 C ATOM 0 H THR A 86 -0.141 -9.171 3.788 1.00 41.35 H new ATOM 0 HA THR A 86 -1.519 -7.165 5.089 1.00 53.14 H new ATOM 0 HB THR A 86 1.362 -7.210 4.107 1.00 25.23 H new ATOM 0 HG1 THR A 86 1.083 -8.916 5.500 1.00 52.41 H new ATOM 0 HG21 THR A 86 1.803 -5.594 5.918 1.00 64.42 H new ATOM 0 HG22 THR A 86 0.670 -4.938 4.712 1.00 64.42 H new ATOM 0 HG23 THR A 86 0.061 -5.528 6.277 1.00 64.42 H new ATOM 1323 N LEU A 87 -0.473 -6.306 2.077 1.00 12.33 N ATOM 1324 CA LEU A 87 -0.625 -5.316 1.015 1.00 65.20 C ATOM 1325 C LEU A 87 -2.070 -5.250 0.533 1.00 31.32 C ATOM 1326 O LEU A 87 -2.609 -4.168 0.298 1.00 21.25 O ATOM 1327 CB LEU A 87 0.301 -5.650 -0.156 1.00 2.01 C ATOM 1328 CG LEU A 87 1.801 -5.541 0.121 1.00 33.43 C ATOM 1329 CD1 LEU A 87 2.598 -5.807 -1.146 1.00 4.12 C ATOM 1330 CD2 LEU A 87 2.140 -4.171 0.690 1.00 24.41 C ATOM 0 H LEU A 87 0.072 -7.127 1.814 1.00 12.33 H new ATOM 0 HA LEU A 87 -0.353 -4.341 1.420 1.00 65.20 H new ATOM 0 HB2 LEU A 87 0.086 -6.667 -0.485 1.00 2.01 H new ATOM 0 HB3 LEU A 87 0.056 -4.988 -0.987 1.00 2.01 H new ATOM 0 HG LEU A 87 2.071 -6.295 0.860 1.00 33.43 H new ATOM 0 HD11 LEU A 87 3.663 -5.725 -0.930 1.00 4.12 H new ATOM 0 HD12 LEU A 87 2.378 -6.810 -1.510 1.00 4.12 H new ATOM 0 HD13 LEU A 87 2.325 -5.076 -1.908 1.00 4.12 H new ATOM 0 HD21 LEU A 87 3.211 -4.111 0.881 1.00 24.41 H new ATOM 0 HD22 LEU A 87 1.855 -3.399 -0.025 1.00 24.41 H new ATOM 0 HD23 LEU A 87 1.596 -4.020 1.622 1.00 24.41 H new ATOM 1342 N LYS A 88 -2.694 -6.414 0.391 1.00 13.20 N ATOM 1343 CA LYS A 88 -4.079 -6.490 -0.059 1.00 42.13 C ATOM 1344 C LYS A 88 -5.014 -5.818 0.942 1.00 54.44 C ATOM 1345 O LYS A 88 -5.877 -5.026 0.564 1.00 72.22 O ATOM 1346 CB LYS A 88 -4.493 -7.950 -0.259 1.00 23.00 C ATOM 1347 CG LYS A 88 -5.435 -8.160 -1.430 1.00 72.04 C ATOM 1348 CD LYS A 88 -4.773 -8.956 -2.542 1.00 74.23 C ATOM 1349 CE LYS A 88 -5.299 -10.383 -2.596 1.00 32.13 C ATOM 1350 NZ LYS A 88 -5.304 -10.920 -3.984 1.00 73.54 N ATOM 0 H LYS A 88 -2.262 -7.318 0.581 1.00 13.20 H new ATOM 0 HA LYS A 88 -4.155 -5.964 -1.011 1.00 42.13 H new ATOM 0 HB2 LYS A 88 -3.599 -8.555 -0.410 1.00 23.00 H new ATOM 0 HB3 LYS A 88 -4.972 -8.311 0.651 1.00 23.00 H new ATOM 0 HG2 LYS A 88 -6.329 -8.683 -1.090 1.00 72.04 H new ATOM 0 HG3 LYS A 88 -5.758 -7.193 -1.816 1.00 72.04 H new ATOM 0 HD2 LYS A 88 -4.952 -8.465 -3.498 1.00 74.23 H new ATOM 0 HD3 LYS A 88 -3.694 -8.970 -2.388 1.00 74.23 H new ATOM 0 HE2 LYS A 88 -4.683 -11.021 -1.962 1.00 32.13 H new ATOM 0 HE3 LYS A 88 -6.311 -10.413 -2.192 1.00 32.13 H new ATOM 0 HZ1 LYS A 88 -6.152 -11.504 -4.127 1.00 73.54 H new ATOM 0 HZ2 LYS A 88 -5.309 -10.131 -4.661 1.00 73.54 H new ATOM 0 HZ3 LYS A 88 -4.454 -11.501 -4.135 1.00 73.54 H new ATOM 1364 N VAL A 89 -4.835 -6.138 2.219 1.00 21.53 N ATOM 1365 CA VAL A 89 -5.661 -5.563 3.274 1.00 20.13 C ATOM 1366 C VAL A 89 -5.567 -4.042 3.278 1.00 52.41 C ATOM 1367 O VAL A 89 -6.581 -3.347 3.216 1.00 13.32 O ATOM 1368 CB VAL A 89 -5.251 -6.095 4.661 1.00 2.11 C ATOM 1369 CG1 VAL A 89 -6.093 -5.449 5.751 1.00 21.10 C ATOM 1370 CG2 VAL A 89 -5.376 -7.611 4.708 1.00 43.43 C ATOM 0 H VAL A 89 -4.125 -6.792 2.548 1.00 21.53 H new ATOM 0 HA VAL A 89 -6.689 -5.860 3.068 1.00 20.13 H new ATOM 0 HB VAL A 89 -4.208 -5.833 4.838 1.00 2.11 H new ATOM 0 HG11 VAL A 89 -5.789 -5.837 6.723 1.00 21.10 H new ATOM 0 HG12 VAL A 89 -5.949 -4.369 5.730 1.00 21.10 H new ATOM 0 HG13 VAL A 89 -7.145 -5.678 5.582 1.00 21.10 H new ATOM 0 HG21 VAL A 89 -5.083 -7.970 5.695 1.00 43.43 H new ATOM 0 HG22 VAL A 89 -6.409 -7.897 4.510 1.00 43.43 H new ATOM 0 HG23 VAL A 89 -4.726 -8.053 3.953 1.00 43.43 H new ATOM 1380 N PHE A 90 -4.343 -3.530 3.351 1.00 33.03 N ATOM 1381 CA PHE A 90 -4.116 -2.089 3.362 1.00 32.41 C ATOM 1382 C PHE A 90 -4.546 -1.459 2.041 1.00 73.50 C ATOM 1383 O PHE A 90 -4.963 -0.303 1.998 1.00 64.11 O ATOM 1384 CB PHE A 90 -2.641 -1.787 3.629 1.00 2.35 C ATOM 1385 CG PHE A 90 -2.285 -0.338 3.455 1.00 41.43 C ATOM 1386 CD1 PHE A 90 -1.920 0.155 2.211 1.00 12.14 C ATOM 1387 CD2 PHE A 90 -2.315 0.531 4.532 1.00 5.25 C ATOM 1388 CE1 PHE A 90 -1.593 1.488 2.047 1.00 23.32 C ATOM 1389 CE2 PHE A 90 -1.989 1.866 4.374 1.00 54.21 C ATOM 1390 CZ PHE A 90 -1.626 2.344 3.130 1.00 62.11 C ATOM 0 H PHE A 90 -3.493 -4.091 3.403 1.00 33.03 H new ATOM 0 HA PHE A 90 -4.719 -1.658 4.161 1.00 32.41 H new ATOM 0 HB2 PHE A 90 -2.394 -2.094 4.645 1.00 2.35 H new ATOM 0 HB3 PHE A 90 -2.028 -2.387 2.956 1.00 2.35 H new ATOM 0 HD1 PHE A 90 -1.891 -0.510 1.361 1.00 12.14 H new ATOM 0 HD2 PHE A 90 -2.596 0.162 5.507 1.00 5.25 H new ATOM 0 HE1 PHE A 90 -1.312 1.860 1.073 1.00 23.32 H new ATOM 0 HE2 PHE A 90 -2.018 2.534 5.222 1.00 54.21 H new ATOM 0 HZ PHE A 90 -1.368 3.385 3.005 1.00 62.11 H new ATOM 1400 N ALA A 91 -4.440 -2.232 0.963 1.00 10.54 N ATOM 1401 CA ALA A 91 -4.819 -1.751 -0.360 1.00 25.20 C ATOM 1402 C ALA A 91 -6.297 -1.380 -0.408 1.00 23.41 C ATOM 1403 O ALA A 91 -6.653 -0.248 -0.734 1.00 2.11 O ATOM 1404 CB ALA A 91 -4.502 -2.802 -1.414 1.00 31.14 C ATOM 0 H ALA A 91 -4.095 -3.192 0.981 1.00 10.54 H new ATOM 0 HA ALA A 91 -4.240 -0.852 -0.572 1.00 25.20 H new ATOM 0 HB1 ALA A 91 -4.790 -2.430 -2.397 1.00 31.14 H new ATOM 0 HB2 ALA A 91 -3.433 -3.015 -1.405 1.00 31.14 H new ATOM 0 HB3 ALA A 91 -5.056 -3.715 -1.195 1.00 31.14 H new ATOM 1410 N VAL A 92 -7.155 -2.342 -0.080 1.00 42.44 N ATOM 1411 CA VAL A 92 -8.595 -2.115 -0.086 1.00 24.51 C ATOM 1412 C VAL A 92 -9.019 -1.243 1.092 1.00 50.24 C ATOM 1413 O VAL A 92 -9.854 -0.351 0.946 1.00 61.43 O ATOM 1414 CB VAL A 92 -9.372 -3.445 -0.031 1.00 61.01 C ATOM 1415 CG1 VAL A 92 -8.988 -4.237 1.209 1.00 23.31 C ATOM 1416 CG2 VAL A 92 -10.870 -3.187 -0.067 1.00 35.14 C ATOM 0 H VAL A 92 -6.877 -3.285 0.193 1.00 42.44 H new ATOM 0 HA VAL A 92 -8.831 -1.602 -1.018 1.00 24.51 H new ATOM 0 HB VAL A 92 -9.107 -4.038 -0.907 1.00 61.01 H new ATOM 0 HG11 VAL A 92 -9.547 -5.173 1.231 1.00 23.31 H new ATOM 0 HG12 VAL A 92 -7.920 -4.453 1.187 1.00 23.31 H new ATOM 0 HG13 VAL A 92 -9.222 -3.654 2.100 1.00 23.31 H new ATOM 0 HG21 VAL A 92 -11.404 -4.137 -0.027 1.00 35.14 H new ATOM 0 HG22 VAL A 92 -11.154 -2.575 0.789 1.00 35.14 H new ATOM 0 HG23 VAL A 92 -11.127 -2.664 -0.988 1.00 35.14 H new ATOM 1426 N ALA A 93 -8.437 -1.508 2.257 1.00 42.45 N ATOM 1427 CA ALA A 93 -8.752 -0.745 3.458 1.00 25.02 C ATOM 1428 C ALA A 93 -8.247 0.690 3.346 1.00 73.20 C ATOM 1429 O ALA A 93 -8.629 1.556 4.132 1.00 44.05 O ATOM 1430 CB ALA A 93 -8.156 -1.422 4.683 1.00 3.14 C ATOM 0 H ALA A 93 -7.745 -2.245 2.394 1.00 42.45 H new ATOM 0 HA ALA A 93 -9.836 -0.713 3.565 1.00 25.02 H new ATOM 0 HB1 ALA A 93 -8.399 -0.842 5.573 1.00 3.14 H new ATOM 0 HB2 ALA A 93 -8.569 -2.426 4.781 1.00 3.14 H new ATOM 0 HB3 ALA A 93 -7.073 -1.484 4.574 1.00 3.14 H new ATOM 1436 N GLY A 94 -7.385 0.934 2.363 1.00 20.13 N ATOM 1437 CA GLY A 94 -6.842 2.265 2.167 1.00 21.12 C ATOM 1438 C GLY A 94 -7.408 2.948 0.937 1.00 33.30 C ATOM 1439 O GLY A 94 -8.131 3.938 1.045 1.00 55.31 O ATOM 0 H GLY A 94 -7.054 0.234 1.700 1.00 20.13 H new ATOM 0 HA2 GLY A 94 -7.054 2.873 3.046 1.00 21.12 H new ATOM 0 HA3 GLY A 94 -5.758 2.202 2.077 1.00 21.12 H new ATOM 1443 N LEU A 95 -7.078 2.418 -0.236 1.00 24.21 N ATOM 1444 CA LEU A 95 -7.557 2.983 -1.492 1.00 44.43 C ATOM 1445 C LEU A 95 -9.081 2.971 -1.548 1.00 70.14 C ATOM 1446 O LEU A 95 -9.699 3.861 -2.136 1.00 22.31 O ATOM 1447 CB LEU A 95 -6.985 2.201 -2.677 1.00 31.43 C ATOM 1448 CG LEU A 95 -5.511 2.449 -2.996 1.00 45.52 C ATOM 1449 CD1 LEU A 95 -5.239 3.939 -3.139 1.00 35.32 C ATOM 1450 CD2 LEU A 95 -4.622 1.845 -1.919 1.00 21.25 C ATOM 0 H LEU A 95 -6.481 1.598 -0.343 1.00 24.21 H new ATOM 0 HA LEU A 95 -7.218 4.017 -1.550 1.00 44.43 H new ATOM 0 HB2 LEU A 95 -7.120 1.137 -2.483 1.00 31.43 H new ATOM 0 HB3 LEU A 95 -7.573 2.441 -3.563 1.00 31.43 H new ATOM 0 HG LEU A 95 -5.279 1.965 -3.944 1.00 45.52 H new ATOM 0 HD11 LEU A 95 -4.185 4.096 -3.366 1.00 35.32 H new ATOM 0 HD12 LEU A 95 -5.848 4.344 -3.947 1.00 35.32 H new ATOM 0 HD13 LEU A 95 -5.489 4.446 -2.207 1.00 35.32 H new ATOM 0 HD21 LEU A 95 -3.576 2.032 -2.163 1.00 21.25 H new ATOM 0 HD22 LEU A 95 -4.856 2.300 -0.956 1.00 21.25 H new ATOM 0 HD23 LEU A 95 -4.796 0.770 -1.864 1.00 21.25 H new ATOM 1462 N LEU A 96 -9.683 1.960 -0.933 1.00 73.22 N ATOM 1463 CA LEU A 96 -11.136 1.833 -0.911 1.00 63.33 C ATOM 1464 C LEU A 96 -11.696 2.225 0.453 1.00 0.43 C ATOM 1465 O LEU A 96 -12.909 2.241 0.655 1.00 35.13 O ATOM 1466 CB LEU A 96 -11.548 0.399 -1.249 1.00 73.25 C ATOM 1467 CG LEU A 96 -12.680 0.247 -2.265 1.00 12.44 C ATOM 1468 CD1 LEU A 96 -12.690 -1.155 -2.850 1.00 72.42 C ATOM 1469 CD2 LEU A 96 -14.021 0.567 -1.620 1.00 12.35 C ATOM 0 H LEU A 96 -9.187 1.216 -0.442 1.00 73.22 H new ATOM 0 HA LEU A 96 -11.546 2.509 -1.661 1.00 63.33 H new ATOM 0 HB2 LEU A 96 -10.673 -0.129 -1.628 1.00 73.25 H new ATOM 0 HB3 LEU A 96 -11.846 -0.099 -0.326 1.00 73.25 H new ATOM 0 HG LEU A 96 -12.510 0.955 -3.077 1.00 12.44 H new ATOM 0 HD11 LEU A 96 -13.503 -1.243 -3.571 1.00 72.42 H new ATOM 0 HD12 LEU A 96 -11.740 -1.348 -3.349 1.00 72.42 H new ATOM 0 HD13 LEU A 96 -12.834 -1.882 -2.051 1.00 72.42 H new ATOM 0 HD21 LEU A 96 -14.816 0.454 -2.357 1.00 12.35 H new ATOM 0 HD22 LEU A 96 -14.197 -0.116 -0.789 1.00 12.35 H new ATOM 0 HD23 LEU A 96 -14.012 1.593 -1.251 1.00 12.35 H new ATOM 1481 N ASN A 97 -10.803 2.546 1.384 1.00 51.33 N ATOM 1482 CA ASN A 97 -11.208 2.942 2.728 1.00 54.01 C ATOM 1483 C ASN A 97 -12.182 1.929 3.323 1.00 44.24 C ATOM 1484 O ASN A 97 -13.048 2.282 4.122 1.00 71.41 O ATOM 1485 CB ASN A 97 -11.851 4.330 2.701 1.00 43.15 C ATOM 1486 CG ASN A 97 -10.822 5.444 2.731 1.00 33.43 C ATOM 1487 OD1 ASN A 97 -10.580 6.052 3.774 1.00 61.13 O ATOM 1488 ND2 ASN A 97 -10.213 5.717 1.584 1.00 72.43 N ATOM 0 H ASN A 97 -9.794 2.540 1.232 1.00 51.33 H new ATOM 0 HA ASN A 97 -10.317 2.974 3.355 1.00 54.01 H new ATOM 0 HB2 ASN A 97 -12.462 4.427 1.803 1.00 43.15 H new ATOM 0 HB3 ASN A 97 -12.520 4.434 3.555 1.00 43.15 H new ATOM 0 HD21 ASN A 97 -9.512 6.457 1.542 1.00 72.43 H new ATOM 0 HD22 ASN A 97 -10.446 5.187 0.744 1.00 72.43 H new ATOM 1495 N MET A 98 -12.033 0.670 2.925 1.00 72.12 N ATOM 1496 CA MET A 98 -12.898 -0.394 3.421 1.00 72.35 C ATOM 1497 C MET A 98 -12.128 -1.340 4.338 1.00 41.05 C ATOM 1498 O MET A 98 -11.705 -2.419 3.921 1.00 12.52 O ATOM 1499 CB MET A 98 -13.500 -1.177 2.252 1.00 50.21 C ATOM 1500 CG MET A 98 -14.678 -2.052 2.649 1.00 30.11 C ATOM 1501 SD MET A 98 -15.827 -2.330 1.288 1.00 13.40 S ATOM 1502 CE MET A 98 -17.323 -1.606 1.954 1.00 13.31 C ATOM 0 H MET A 98 -11.322 0.362 2.261 1.00 72.12 H new ATOM 0 HA MET A 98 -13.703 0.065 3.996 1.00 72.35 H new ATOM 0 HB2 MET A 98 -13.822 -0.475 1.483 1.00 50.21 H new ATOM 0 HB3 MET A 98 -12.726 -1.803 1.808 1.00 50.21 H new ATOM 0 HG2 MET A 98 -14.308 -3.012 3.008 1.00 30.11 H new ATOM 0 HG3 MET A 98 -15.209 -1.585 3.478 1.00 30.11 H new ATOM 0 HE1 MET A 98 -18.128 -1.700 1.226 1.00 13.31 H new ATOM 0 HE2 MET A 98 -17.601 -2.125 2.872 1.00 13.31 H new ATOM 0 HE3 MET A 98 -17.152 -0.552 2.171 1.00 13.31 H new ATOM 1512 N THR A 99 -11.948 -0.928 5.588 1.00 72.20 N ATOM 1513 CA THR A 99 -11.226 -1.737 6.563 1.00 54.20 C ATOM 1514 C THR A 99 -11.858 -3.117 6.706 1.00 45.15 C ATOM 1515 O THR A 99 -12.860 -3.284 7.400 1.00 62.50 O ATOM 1516 CB THR A 99 -11.193 -1.055 7.944 1.00 3.33 C ATOM 1517 OG1 THR A 99 -10.707 -1.972 8.931 1.00 11.23 O ATOM 1518 CG2 THR A 99 -12.578 -0.563 8.339 1.00 65.14 C ATOM 0 H THR A 99 -12.292 -0.039 5.950 1.00 72.20 H new ATOM 0 HA THR A 99 -10.206 -1.843 6.194 1.00 54.20 H new ATOM 0 HB THR A 99 -10.524 -0.197 7.885 1.00 3.33 H new ATOM 0 HG1 THR A 99 -9.960 -1.564 9.417 1.00 11.23 H new ATOM 0 HG21 THR A 99 -12.529 -0.085 9.317 1.00 65.14 H new ATOM 0 HG22 THR A 99 -12.933 0.157 7.601 1.00 65.14 H new ATOM 0 HG23 THR A 99 -13.266 -1.408 8.382 1.00 65.14 H new ATOM 1526 N VAL A 100 -11.263 -4.105 6.044 1.00 70.01 N ATOM 1527 CA VAL A 100 -11.766 -5.473 6.099 1.00 32.15 C ATOM 1528 C VAL A 100 -11.896 -5.953 7.540 1.00 53.11 C ATOM 1529 O VAL A 100 -11.505 -5.255 8.476 1.00 54.30 O ATOM 1530 CB VAL A 100 -10.848 -6.440 5.329 1.00 54.42 C ATOM 1531 CG1 VAL A 100 -10.668 -5.974 3.891 1.00 24.52 C ATOM 1532 CG2 VAL A 100 -9.504 -6.570 6.028 1.00 25.24 C ATOM 0 H VAL A 100 -10.433 -3.984 5.464 1.00 70.01 H new ATOM 0 HA VAL A 100 -12.750 -5.467 5.630 1.00 32.15 H new ATOM 0 HB VAL A 100 -11.318 -7.423 5.311 1.00 54.42 H new ATOM 0 HG11 VAL A 100 -10.016 -6.669 3.362 1.00 24.52 H new ATOM 0 HG12 VAL A 100 -11.638 -5.938 3.396 1.00 24.52 H new ATOM 0 HG13 VAL A 100 -10.220 -4.980 3.884 1.00 24.52 H new ATOM 0 HG21 VAL A 100 -8.868 -7.257 5.470 1.00 25.24 H new ATOM 0 HG22 VAL A 100 -9.024 -5.593 6.079 1.00 25.24 H new ATOM 0 HG23 VAL A 100 -9.654 -6.954 7.037 1.00 25.24 H new ATOM 1542 N SER A 101 -12.448 -7.150 7.712 1.00 1.14 N ATOM 1543 CA SER A 101 -12.634 -7.723 9.040 1.00 45.54 C ATOM 1544 C SER A 101 -11.413 -8.537 9.456 1.00 45.15 C ATOM 1545 O SER A 101 -11.001 -8.515 10.616 1.00 4.43 O ATOM 1546 CB SER A 101 -13.883 -8.607 9.068 1.00 4.40 C ATOM 1547 OG SER A 101 -15.046 -7.837 9.322 1.00 41.12 O ATOM 0 H SER A 101 -12.774 -7.742 6.948 1.00 1.14 H new ATOM 0 HA SER A 101 -12.762 -6.903 9.747 1.00 45.54 H new ATOM 0 HB2 SER A 101 -13.987 -9.126 8.115 1.00 4.40 H new ATOM 0 HB3 SER A 101 -13.774 -9.372 9.837 1.00 4.40 H new ATOM 0 HG SER A 101 -15.831 -8.424 9.333 1.00 41.12 H new ATOM 1553 N THR A 102 -10.835 -9.257 8.498 1.00 40.12 N ATOM 1554 CA THR A 102 -9.661 -10.080 8.763 1.00 14.10 C ATOM 1555 C THR A 102 -8.726 -10.106 7.560 1.00 61.21 C ATOM 1556 O THR A 102 -9.161 -9.944 6.420 1.00 64.32 O ATOM 1557 CB THR A 102 -10.057 -11.525 9.123 1.00 13.42 C ATOM 1558 OG1 THR A 102 -10.496 -12.219 7.949 1.00 2.44 O ATOM 1559 CG2 THR A 102 -11.162 -11.538 10.169 1.00 53.23 C ATOM 0 H THR A 102 -11.161 -9.286 7.532 1.00 40.12 H new ATOM 0 HA THR A 102 -9.145 -9.631 9.612 1.00 14.10 H new ATOM 0 HB THR A 102 -9.182 -12.027 9.536 1.00 13.42 H new ATOM 0 HG1 THR A 102 -10.744 -13.137 8.185 1.00 2.44 H new ATOM 0 HG21 THR A 102 -11.425 -12.569 10.407 1.00 53.23 H new ATOM 0 HG22 THR A 102 -10.815 -11.034 11.071 1.00 53.23 H new ATOM 0 HG23 THR A 102 -12.039 -11.021 9.779 1.00 53.23 H new ATOM 1567 N ALA A 103 -7.440 -10.312 7.822 1.00 45.33 N ATOM 1568 CA ALA A 103 -6.442 -10.362 6.759 1.00 40.31 C ATOM 1569 C ALA A 103 -6.851 -11.345 5.669 1.00 61.13 C ATOM 1570 O ALA A 103 -6.649 -11.091 4.481 1.00 21.03 O ATOM 1571 CB ALA A 103 -5.082 -10.738 7.329 1.00 4.14 C ATOM 0 H ALA A 103 -7.064 -10.447 8.760 1.00 45.33 H new ATOM 0 HA ALA A 103 -6.374 -9.371 6.311 1.00 40.31 H new ATOM 0 HB1 ALA A 103 -4.347 -10.772 6.525 1.00 4.14 H new ATOM 0 HB2 ALA A 103 -4.779 -9.995 8.067 1.00 4.14 H new ATOM 0 HB3 ALA A 103 -5.145 -11.717 7.804 1.00 4.14 H new ATOM 1577 N ALA A 104 -7.426 -12.471 6.079 1.00 10.04 N ATOM 1578 CA ALA A 104 -7.866 -13.492 5.136 1.00 64.34 C ATOM 1579 C ALA A 104 -8.997 -12.976 4.254 1.00 45.34 C ATOM 1580 O ALA A 104 -9.028 -13.238 3.051 1.00 63.20 O ATOM 1581 CB ALA A 104 -8.304 -14.744 5.881 1.00 73.34 C ATOM 0 H ALA A 104 -7.598 -12.699 7.058 1.00 10.04 H new ATOM 0 HA ALA A 104 -7.024 -13.742 4.491 1.00 64.34 H new ATOM 0 HB1 ALA A 104 -8.630 -15.498 5.165 1.00 73.34 H new ATOM 0 HB2 ALA A 104 -7.468 -15.133 6.462 1.00 73.34 H new ATOM 0 HB3 ALA A 104 -9.128 -14.499 6.551 1.00 73.34 H new ATOM 1587 N ALA A 105 -9.923 -12.241 4.858 1.00 75.51 N ATOM 1588 CA ALA A 105 -11.056 -11.687 4.127 1.00 53.34 C ATOM 1589 C ALA A 105 -10.587 -10.767 3.004 1.00 62.33 C ATOM 1590 O ALA A 105 -11.135 -10.789 1.901 1.00 22.53 O ATOM 1591 CB ALA A 105 -11.980 -10.937 5.074 1.00 52.24 C ATOM 0 H ALA A 105 -9.912 -12.015 5.853 1.00 75.51 H new ATOM 0 HA ALA A 105 -11.607 -12.514 3.679 1.00 53.34 H new ATOM 0 HB1 ALA A 105 -12.821 -10.529 4.514 1.00 52.24 H new ATOM 0 HB2 ALA A 105 -12.350 -11.620 5.838 1.00 52.24 H new ATOM 0 HB3 ALA A 105 -11.432 -10.124 5.549 1.00 52.24 H new ATOM 1597 N ALA A 106 -9.571 -9.961 3.291 1.00 43.41 N ATOM 1598 CA ALA A 106 -9.027 -9.035 2.305 1.00 33.02 C ATOM 1599 C ALA A 106 -8.412 -9.785 1.129 1.00 74.35 C ATOM 1600 O ALA A 106 -8.753 -9.531 -0.027 1.00 64.41 O ATOM 1601 CB ALA A 106 -7.995 -8.123 2.950 1.00 2.42 C ATOM 0 H ALA A 106 -9.107 -9.930 4.199 1.00 43.41 H new ATOM 0 HA ALA A 106 -9.847 -8.425 1.925 1.00 33.02 H new ATOM 0 HB1 ALA A 106 -7.597 -7.437 2.202 1.00 2.42 H new ATOM 0 HB2 ALA A 106 -8.464 -7.553 3.752 1.00 2.42 H new ATOM 0 HB3 ALA A 106 -7.183 -8.724 3.359 1.00 2.42 H new ATOM 1607 N GLU A 107 -7.505 -10.709 1.431 1.00 53.53 N ATOM 1608 CA GLU A 107 -6.842 -11.494 0.396 1.00 12.22 C ATOM 1609 C GLU A 107 -7.863 -12.228 -0.468 1.00 40.23 C ATOM 1610 O GLU A 107 -7.689 -12.355 -1.679 1.00 74.25 O ATOM 1611 CB GLU A 107 -5.876 -12.498 1.028 1.00 63.41 C ATOM 1612 CG GLU A 107 -5.254 -13.458 0.027 1.00 35.41 C ATOM 1613 CD GLU A 107 -5.654 -14.900 0.276 1.00 14.13 C ATOM 1614 OE1 GLU A 107 -4.752 -15.735 0.493 1.00 62.05 O ATOM 1615 OE2 GLU A 107 -6.868 -15.192 0.253 1.00 71.14 O ATOM 0 H GLU A 107 -7.213 -10.932 2.382 1.00 53.53 H new ATOM 0 HA GLU A 107 -6.280 -10.810 -0.239 1.00 12.22 H new ATOM 0 HB2 GLU A 107 -5.082 -11.953 1.538 1.00 63.41 H new ATOM 0 HB3 GLU A 107 -6.407 -13.072 1.787 1.00 63.41 H new ATOM 0 HG2 GLU A 107 -5.553 -13.171 -0.981 1.00 35.41 H new ATOM 0 HG3 GLU A 107 -4.168 -13.373 0.074 1.00 35.41 H new ATOM 1622 N ASN A 108 -8.928 -12.710 0.164 1.00 13.52 N ATOM 1623 CA ASN A 108 -9.977 -13.432 -0.546 1.00 72.31 C ATOM 1624 C ASN A 108 -10.856 -12.472 -1.342 1.00 21.30 C ATOM 1625 O ASN A 108 -11.344 -12.810 -2.420 1.00 71.41 O ATOM 1626 CB ASN A 108 -10.835 -14.228 0.441 1.00 41.15 C ATOM 1627 CG ASN A 108 -10.393 -15.674 0.555 1.00 62.12 C ATOM 1628 OD1 ASN A 108 -10.470 -16.436 -0.409 1.00 72.24 O ATOM 1629 ND2 ASN A 108 -9.926 -16.058 1.737 1.00 70.23 N ATOM 0 H ASN A 108 -9.087 -12.614 1.167 1.00 13.52 H new ATOM 0 HA ASN A 108 -9.501 -14.122 -1.242 1.00 72.31 H new ATOM 0 HB2 ASN A 108 -10.786 -13.757 1.423 1.00 41.15 H new ATOM 0 HB3 ASN A 108 -11.877 -14.193 0.123 1.00 41.15 H new ATOM 0 HD21 ASN A 108 -9.613 -17.019 1.874 1.00 70.23 H new ATOM 0 HD22 ASN A 108 -9.880 -15.392 2.508 1.00 70.23 H new ATOM 1636 N MET A 109 -11.052 -11.273 -0.803 1.00 31.31 N ATOM 1637 CA MET A 109 -11.871 -10.264 -1.463 1.00 41.41 C ATOM 1638 C MET A 109 -11.257 -9.855 -2.799 1.00 2.12 C ATOM 1639 O MET A 109 -11.937 -9.830 -3.824 1.00 62.44 O ATOM 1640 CB MET A 109 -12.030 -9.036 -0.564 1.00 64.04 C ATOM 1641 CG MET A 109 -13.447 -8.834 -0.056 1.00 34.02 C ATOM 1642 SD MET A 109 -14.062 -10.252 0.872 1.00 54.04 S ATOM 1643 CE MET A 109 -15.830 -9.991 0.758 1.00 72.11 C ATOM 0 H MET A 109 -10.655 -10.977 0.089 1.00 31.31 H new ATOM 0 HA MET A 109 -12.854 -10.696 -1.651 1.00 41.41 H new ATOM 0 HB2 MET A 109 -11.357 -9.131 0.288 1.00 64.04 H new ATOM 0 HB3 MET A 109 -11.721 -8.149 -1.117 1.00 64.04 H new ATOM 0 HG2 MET A 109 -13.478 -7.948 0.579 1.00 34.02 H new ATOM 0 HG3 MET A 109 -14.108 -8.644 -0.902 1.00 34.02 H new ATOM 0 HE1 MET A 109 -16.351 -10.790 1.286 1.00 72.11 H new ATOM 0 HE2 MET A 109 -16.086 -9.032 1.208 1.00 72.11 H new ATOM 0 HE3 MET A 109 -16.131 -9.992 -0.290 1.00 72.11 H new ATOM 1653 N TYR A 110 -9.968 -9.533 -2.777 1.00 53.44 N ATOM 1654 CA TYR A 110 -9.263 -9.122 -3.986 1.00 61.10 C ATOM 1655 C TYR A 110 -9.147 -10.282 -4.971 1.00 23.31 C ATOM 1656 O TYR A 110 -9.422 -10.132 -6.160 1.00 43.32 O ATOM 1657 CB TYR A 110 -7.871 -8.594 -3.636 1.00 23.32 C ATOM 1658 CG TYR A 110 -7.754 -7.089 -3.728 1.00 23.41 C ATOM 1659 CD1 TYR A 110 -6.639 -6.494 -4.308 1.00 22.52 C ATOM 1660 CD2 TYR A 110 -8.755 -6.263 -3.234 1.00 41.51 C ATOM 1661 CE1 TYR A 110 -6.527 -5.120 -4.394 1.00 60.42 C ATOM 1662 CE2 TYR A 110 -8.652 -4.888 -3.318 1.00 4.54 C ATOM 1663 CZ TYR A 110 -7.535 -4.321 -3.898 1.00 75.12 C ATOM 1664 OH TYR A 110 -7.429 -2.952 -3.981 1.00 44.43 O ATOM 0 H TYR A 110 -9.391 -9.549 -1.936 1.00 53.44 H new ATOM 0 HA TYR A 110 -9.838 -8.325 -4.458 1.00 61.10 H new ATOM 0 HB2 TYR A 110 -7.616 -8.909 -2.624 1.00 23.32 H new ATOM 0 HB3 TYR A 110 -7.140 -9.049 -4.305 1.00 23.32 H new ATOM 0 HD1 TYR A 110 -5.847 -7.117 -4.698 1.00 22.52 H new ATOM 0 HD2 TYR A 110 -9.629 -6.703 -2.776 1.00 41.51 H new ATOM 0 HE1 TYR A 110 -5.654 -4.674 -4.847 1.00 60.42 H new ATOM 0 HE2 TYR A 110 -9.441 -4.260 -2.932 1.00 4.54 H new ATOM 0 HH TYR A 110 -6.631 -2.656 -3.495 1.00 44.43 H new ATOM 1674 N SER A 111 -8.737 -11.441 -4.463 1.00 10.23 N ATOM 1675 CA SER A 111 -8.581 -12.627 -5.296 1.00 63.41 C ATOM 1676 C SER A 111 -9.906 -13.017 -5.942 1.00 14.51 C ATOM 1677 O SER A 111 -9.986 -13.201 -7.156 1.00 53.42 O ATOM 1678 CB SER A 111 -8.044 -13.793 -4.463 1.00 73.35 C ATOM 1679 OG SER A 111 -8.259 -15.030 -5.120 1.00 55.54 O ATOM 0 H SER A 111 -8.507 -11.583 -3.479 1.00 10.23 H new ATOM 0 HA SER A 111 -7.867 -12.394 -6.086 1.00 63.41 H new ATOM 0 HB2 SER A 111 -6.978 -13.654 -4.282 1.00 73.35 H new ATOM 0 HB3 SER A 111 -8.534 -13.805 -3.489 1.00 73.35 H new ATOM 0 HG SER A 111 -7.906 -15.759 -4.568 1.00 55.54 H new ATOM 1685 N GLN A 112 -10.945 -13.139 -5.121 1.00 3.33 N ATOM 1686 CA GLN A 112 -12.267 -13.506 -5.611 1.00 50.45 C ATOM 1687 C GLN A 112 -12.823 -12.429 -6.537 1.00 34.12 C ATOM 1688 O GLN A 112 -13.598 -12.719 -7.448 1.00 43.14 O ATOM 1689 CB GLN A 112 -13.224 -13.733 -4.441 1.00 23.35 C ATOM 1690 CG GLN A 112 -14.536 -14.387 -4.845 1.00 31.53 C ATOM 1691 CD GLN A 112 -15.062 -15.339 -3.789 1.00 71.54 C ATOM 1692 OE1 GLN A 112 -14.376 -16.279 -3.386 1.00 22.24 O ATOM 1693 NE2 GLN A 112 -16.287 -15.102 -3.335 1.00 33.23 N ATOM 0 H GLN A 112 -10.896 -12.989 -4.113 1.00 3.33 H new ATOM 0 HA GLN A 112 -12.172 -14.433 -6.177 1.00 50.45 H new ATOM 0 HB2 GLN A 112 -12.731 -14.357 -3.695 1.00 23.35 H new ATOM 0 HB3 GLN A 112 -13.436 -12.776 -3.965 1.00 23.35 H new ATOM 0 HG2 GLN A 112 -15.280 -13.613 -5.035 1.00 31.53 H new ATOM 0 HG3 GLN A 112 -14.395 -14.929 -5.780 1.00 31.53 H new ATOM 0 HE21 GLN A 112 -16.821 -14.312 -3.697 1.00 33.23 H new ATOM 0 HE22 GLN A 112 -16.694 -15.710 -2.625 1.00 33.23 H new ATOM 1702 N MET A 113 -12.424 -11.184 -6.296 1.00 32.54 N ATOM 1703 CA MET A 113 -12.882 -10.064 -7.108 1.00 2.44 C ATOM 1704 C MET A 113 -12.373 -10.187 -8.540 1.00 53.43 C ATOM 1705 O MET A 113 -12.963 -9.635 -9.469 1.00 30.14 O ATOM 1706 CB MET A 113 -12.414 -8.740 -6.500 1.00 50.43 C ATOM 1707 CG MET A 113 -13.460 -8.071 -5.623 1.00 64.12 C ATOM 1708 SD MET A 113 -12.878 -6.520 -4.909 1.00 64.42 S ATOM 1709 CE MET A 113 -14.025 -6.324 -3.546 1.00 63.14 C ATOM 0 H MET A 113 -11.784 -10.926 -5.545 1.00 32.54 H new ATOM 0 HA MET A 113 -13.972 -10.082 -7.126 1.00 2.44 H new ATOM 0 HB2 MET A 113 -11.516 -8.918 -5.909 1.00 50.43 H new ATOM 0 HB3 MET A 113 -12.136 -8.059 -7.304 1.00 50.43 H new ATOM 0 HG2 MET A 113 -14.356 -7.881 -6.214 1.00 64.12 H new ATOM 0 HG3 MET A 113 -13.745 -8.752 -4.821 1.00 64.12 H new ATOM 0 HE1 MET A 113 -13.794 -5.406 -3.005 1.00 63.14 H new ATOM 0 HE2 MET A 113 -15.043 -6.271 -3.932 1.00 63.14 H new ATOM 0 HE3 MET A 113 -13.936 -7.175 -2.871 1.00 63.14 H new