USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1066 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 95 LYS NZ :NH3+ 158:sc= 0.829 (180deg=0) USER MOD Set 1.2: A 147 TYR OH : rot 18:sc= 0.985 USER MOD Set 2.1: A 40 THR OG1 : rot 180:sc= -0.0324 USER MOD Set 2.2: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 18 THR OG1 : rot 27:sc= 1.36 USER MOD Set 3.3: A 24 TYR OH : rot 80:sc= 0.0804 USER MOD Set 3.4: A 36 SER OG : rot 101:sc= 0.981 USER MOD Single : A 10 THR OG1 : rot 22:sc= 0.438 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 12 TYR OH : rot 80:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0485 X(o=-0.049,f=-0.049) USER MOD Single : A 20 MET CE :methyl 164:sc= -1.01 (180deg=-1.72) USER MOD Single : A 26 ASN : amide:sc= 0.309 K(o=0.31,f=-11!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0259 K(o=-0.026,f=-6.2!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0582 K(o=-0.058,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 173:sc=-0.00368 (180deg=-0.0695) USER MOD Single : A 55 TYR OH : rot 37:sc= 0.271 USER MOD Single : A 58 MET CE :methyl 172:sc= -1.62 (180deg=-1.83) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= 0.218 K(o=0.22,f=-0.78) USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 81 LYS NZ :NH3+ 157:sc= 0.642 (180deg=-0.395) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.275 USER MOD Single : A 104 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 114 GLN : amide:sc= -0.571 X(o=-0.57,f=-0.13) USER MOD Single : A 115 THR OG1 : rot -179:sc= 1.28 USER MOD Single : A 117 LYS NZ :NH3+ 139:sc= -0.583 (180deg=-2.55!) USER MOD Single : A 118 ASN : amide:sc= -0.114 K(o=-0.11,f=-0.71) USER MOD Single : A 119 TYR OH : rot -134:sc= 0.642 USER MOD Single : A 120 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.19) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.31) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 140 GLN : amide:sc= -2.3! C(o=-2.3!,f=-4.4!) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= -2.01! C(o=-2!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -9.466 3.319 -10.988 1.00 72.22 N ATOM 140 CA THR A 10 -8.976 2.396 -12.029 1.00 64.34 C ATOM 141 C THR A 10 -7.446 2.163 -11.838 1.00 62.24 C ATOM 142 O THR A 10 -6.817 2.806 -10.976 1.00 34.33 O ATOM 143 CB THR A 10 -9.322 2.973 -13.461 1.00 53.45 C ATOM 144 OG1 THR A 10 -10.598 3.641 -13.423 1.00 25.13 O ATOM 145 CG2 THR A 10 -9.403 1.888 -14.553 1.00 14.20 C ATOM 0 HA THR A 10 -9.471 1.429 -11.941 1.00 64.34 H new ATOM 0 HB THR A 10 -8.510 3.655 -13.713 1.00 53.45 H new ATOM 0 HG1 THR A 10 -10.803 3.902 -12.501 1.00 25.13 H new ATOM 0 HG21 THR A 10 -9.644 2.352 -15.510 1.00 14.20 H new ATOM 0 HG22 THR A 10 -8.444 1.376 -14.629 1.00 14.20 H new ATOM 0 HG23 THR A 10 -10.179 1.168 -14.294 1.00 14.20 H new ATOM 153 N THR A 11 -6.877 1.261 -12.662 1.00 11.13 N ATOM 154 CA THR A 11 -5.504 0.717 -12.549 1.00 44.14 C ATOM 155 C THR A 11 -4.390 1.801 -12.403 1.00 75.12 C ATOM 156 O THR A 11 -3.392 1.565 -11.709 1.00 71.42 O ATOM 157 CB THR A 11 -5.222 -0.174 -13.812 1.00 61.31 C ATOM 158 OG1 THR A 11 -6.350 -1.033 -14.070 1.00 11.34 O ATOM 159 CG2 THR A 11 -3.964 -1.047 -13.667 1.00 43.22 C ATOM 0 H THR A 11 -7.381 0.873 -13.460 1.00 11.13 H new ATOM 0 HA THR A 11 -5.464 0.137 -11.627 1.00 44.14 H new ATOM 0 HB THR A 11 -5.056 0.514 -14.641 1.00 61.31 H new ATOM 0 HG1 THR A 11 -6.168 -1.584 -14.860 1.00 11.34 H new ATOM 0 HG21 THR A 11 -3.825 -1.638 -14.572 1.00 43.22 H new ATOM 0 HG22 THR A 11 -3.094 -0.409 -13.513 1.00 43.22 H new ATOM 0 HG23 THR A 11 -4.080 -1.714 -12.813 1.00 43.22 H new ATOM 167 N TYR A 12 -4.599 2.983 -13.037 1.00 12.33 N ATOM 168 CA TYR A 12 -3.607 4.096 -13.092 1.00 34.54 C ATOM 169 C TYR A 12 -3.128 4.531 -11.684 1.00 54.25 C ATOM 170 O TYR A 12 -1.929 4.742 -11.457 1.00 74.24 O ATOM 171 CB TYR A 12 -4.191 5.321 -13.886 1.00 42.53 C ATOM 172 CG TYR A 12 -5.444 6.013 -13.264 1.00 42.55 C ATOM 173 CD1 TYR A 12 -6.745 5.598 -13.575 1.00 41.51 C ATOM 174 CD2 TYR A 12 -5.319 7.091 -12.366 1.00 63.32 C ATOM 175 CE1 TYR A 12 -7.859 6.223 -13.021 1.00 74.41 C ATOM 176 CE2 TYR A 12 -6.430 7.707 -11.810 1.00 53.33 C ATOM 177 CZ TYR A 12 -7.696 7.271 -12.142 1.00 23.42 C ATOM 178 OH TYR A 12 -8.801 7.909 -11.606 1.00 34.45 O ATOM 0 H TYR A 12 -5.467 3.195 -13.529 1.00 12.33 H new ATOM 0 HA TYR A 12 -2.732 3.719 -13.622 1.00 34.54 H new ATOM 0 HB2 TYR A 12 -3.404 6.068 -13.990 1.00 42.53 H new ATOM 0 HB3 TYR A 12 -4.448 4.986 -14.891 1.00 42.53 H new ATOM 0 HD1 TYR A 12 -6.887 4.775 -14.260 1.00 41.51 H new ATOM 0 HD2 TYR A 12 -4.333 7.447 -12.104 1.00 63.32 H new ATOM 0 HE1 TYR A 12 -8.852 5.886 -13.281 1.00 74.41 H new ATOM 0 HE2 TYR A 12 -6.304 8.527 -11.118 1.00 53.33 H new ATOM 0 HH TYR A 12 -9.159 7.376 -10.865 1.00 34.45 H new ATOM 188 N ALA A 13 -4.085 4.617 -10.742 1.00 3.21 N ATOM 189 CA ALA A 13 -3.839 5.094 -9.364 1.00 54.43 C ATOM 190 C ALA A 13 -3.034 4.072 -8.543 1.00 64.01 C ATOM 191 O ALA A 13 -2.293 4.443 -7.625 1.00 44.43 O ATOM 192 CB ALA A 13 -5.180 5.396 -8.683 1.00 1.33 C ATOM 0 H ALA A 13 -5.056 4.357 -10.914 1.00 3.21 H new ATOM 0 HA ALA A 13 -3.243 6.005 -9.417 1.00 54.43 H new ATOM 0 HB1 ALA A 13 -5.001 5.748 -7.667 1.00 1.33 H new ATOM 0 HB2 ALA A 13 -5.709 6.165 -9.246 1.00 1.33 H new ATOM 0 HB3 ALA A 13 -5.785 4.490 -8.652 1.00 1.33 H new ATOM 198 N SER A 14 -3.199 2.786 -8.884 1.00 4.12 N ATOM 199 CA SER A 14 -2.550 1.670 -8.180 1.00 4.21 C ATOM 200 C SER A 14 -1.112 1.424 -8.708 1.00 22.44 C ATOM 201 O SER A 14 -0.201 1.102 -7.925 1.00 45.14 O ATOM 202 CB SER A 14 -3.431 0.406 -8.323 1.00 22.14 C ATOM 203 OG SER A 14 -4.743 0.630 -7.810 1.00 70.52 O ATOM 0 H SER A 14 -3.790 2.489 -9.661 1.00 4.12 H new ATOM 0 HA SER A 14 -2.453 1.921 -7.124 1.00 4.21 H new ATOM 0 HB2 SER A 14 -3.492 0.119 -9.373 1.00 22.14 H new ATOM 0 HB3 SER A 14 -2.967 -0.425 -7.792 1.00 22.14 H new ATOM 0 HG SER A 14 -5.279 -0.184 -7.915 1.00 70.52 H new ATOM 209 N LYS A 15 -0.916 1.597 -10.034 1.00 30.32 N ATOM 210 CA LYS A 15 0.368 1.311 -10.714 1.00 3.12 C ATOM 211 C LYS A 15 1.405 2.404 -10.434 1.00 3.32 C ATOM 212 O LYS A 15 2.533 2.095 -10.053 1.00 11.21 O ATOM 213 CB LYS A 15 0.159 1.132 -12.248 1.00 22.02 C ATOM 214 CG LYS A 15 -0.643 -0.123 -12.637 1.00 71.31 C ATOM 215 CD LYS A 15 0.036 -1.431 -12.180 1.00 41.33 C ATOM 216 CE LYS A 15 -0.776 -2.688 -12.511 1.00 24.54 C ATOM 217 NZ LYS A 15 -0.084 -3.917 -12.041 1.00 73.34 N ATOM 0 H LYS A 15 -1.643 1.939 -10.663 1.00 30.32 H new ATOM 0 HA LYS A 15 0.752 0.375 -10.309 1.00 3.12 H new ATOM 0 HB2 LYS A 15 -0.354 2.011 -12.638 1.00 22.02 H new ATOM 0 HB3 LYS A 15 1.134 1.090 -12.733 1.00 22.02 H new ATOM 0 HG2 LYS A 15 -1.639 -0.063 -12.198 1.00 71.31 H new ATOM 0 HG3 LYS A 15 -0.773 -0.145 -13.719 1.00 71.31 H new ATOM 0 HD2 LYS A 15 1.016 -1.506 -12.651 1.00 41.33 H new ATOM 0 HD3 LYS A 15 0.202 -1.388 -11.104 1.00 41.33 H new ATOM 0 HE2 LYS A 15 -1.759 -2.621 -12.046 1.00 24.54 H new ATOM 0 HE3 LYS A 15 -0.936 -2.747 -13.588 1.00 24.54 H new ATOM 0 HZ1 LYS A 15 -0.658 -4.751 -12.279 1.00 73.34 H new ATOM 0 HZ2 LYS A 15 0.844 -3.991 -12.504 1.00 73.34 H new ATOM 0 HZ3 LYS A 15 0.046 -3.869 -11.010 1.00 73.34 H new ATOM 231 N GLN A 16 1.006 3.683 -10.606 1.00 10.25 N ATOM 232 CA GLN A 16 1.898 4.847 -10.361 1.00 21.32 C ATOM 233 C GLN A 16 2.312 4.938 -8.878 1.00 40.21 C ATOM 234 O GLN A 16 3.366 5.490 -8.558 1.00 63.24 O ATOM 235 CB GLN A 16 1.217 6.173 -10.801 1.00 34.21 C ATOM 236 CG GLN A 16 0.942 6.300 -12.312 1.00 23.44 C ATOM 237 CD GLN A 16 2.202 6.197 -13.183 1.00 4.44 C ATOM 238 OE1 GLN A 16 2.577 5.112 -13.637 1.00 44.14 O ATOM 239 NE2 GLN A 16 2.871 7.316 -13.393 1.00 72.11 N ATOM 0 H GLN A 16 0.069 3.940 -10.915 1.00 10.25 H new ATOM 0 HA GLN A 16 2.796 4.696 -10.960 1.00 21.32 H new ATOM 0 HB2 GLN A 16 0.272 6.272 -10.267 1.00 34.21 H new ATOM 0 HB3 GLN A 16 1.847 7.007 -10.491 1.00 34.21 H new ATOM 0 HG2 GLN A 16 0.241 5.521 -12.611 1.00 23.44 H new ATOM 0 HG3 GLN A 16 0.456 7.257 -12.504 1.00 23.44 H new ATOM 0 HE21 GLN A 16 2.531 8.195 -13.002 1.00 72.11 H new ATOM 0 HE22 GLN A 16 3.728 7.302 -13.946 1.00 72.11 H new ATOM 248 N ALA A 17 1.469 4.380 -7.997 1.00 45.53 N ATOM 249 CA ALA A 17 1.699 4.371 -6.549 1.00 44.35 C ATOM 250 C ALA A 17 2.808 3.378 -6.142 1.00 73.14 C ATOM 251 O ALA A 17 3.695 3.722 -5.355 1.00 42.33 O ATOM 252 CB ALA A 17 0.397 4.053 -5.836 1.00 1.41 C ATOM 0 H ALA A 17 0.602 3.919 -8.274 1.00 45.53 H new ATOM 0 HA ALA A 17 2.045 5.361 -6.252 1.00 44.35 H new ATOM 0 HB1 ALA A 17 0.564 4.045 -4.759 1.00 1.41 H new ATOM 0 HB2 ALA A 17 -0.347 4.810 -6.082 1.00 1.41 H new ATOM 0 HB3 ALA A 17 0.038 3.074 -6.154 1.00 1.41 H new ATOM 258 N THR A 18 2.743 2.149 -6.672 1.00 33.31 N ATOM 259 CA THR A 18 3.785 1.121 -6.445 1.00 20.22 C ATOM 260 C THR A 18 5.084 1.475 -7.177 1.00 64.54 C ATOM 261 O THR A 18 6.186 1.197 -6.685 1.00 11.25 O ATOM 262 CB THR A 18 3.286 -0.290 -6.878 1.00 35.23 C ATOM 263 OG1 THR A 18 2.516 -0.175 -8.085 1.00 43.11 O ATOM 264 CG2 THR A 18 2.446 -0.959 -5.787 1.00 73.13 C ATOM 0 H THR A 18 1.976 1.835 -7.266 1.00 33.31 H new ATOM 0 HA THR A 18 3.992 1.098 -5.375 1.00 20.22 H new ATOM 0 HB THR A 18 4.160 -0.918 -7.050 1.00 35.23 H new ATOM 0 HG1 THR A 18 2.816 0.609 -8.591 1.00 43.11 H new ATOM 0 HG21 THR A 18 2.119 -1.940 -6.130 1.00 73.13 H new ATOM 0 HG22 THR A 18 3.046 -1.072 -4.884 1.00 73.13 H new ATOM 0 HG23 THR A 18 1.575 -0.342 -5.569 1.00 73.13 H new ATOM 272 N ASP A 19 4.926 2.114 -8.348 1.00 42.11 N ATOM 273 CA ASP A 19 6.043 2.611 -9.174 1.00 2.10 C ATOM 274 C ASP A 19 6.741 3.786 -8.458 1.00 45.32 C ATOM 275 O ASP A 19 7.936 4.024 -8.649 1.00 55.42 O ATOM 276 CB ASP A 19 5.507 3.043 -10.562 1.00 12.33 C ATOM 277 CG ASP A 19 6.615 3.391 -11.572 1.00 14.24 C ATOM 278 OD1 ASP A 19 7.181 2.460 -12.185 1.00 60.44 O ATOM 279 OD2 ASP A 19 6.920 4.588 -11.761 1.00 42.04 O ATOM 0 H ASP A 19 4.009 2.303 -8.754 1.00 42.11 H new ATOM 0 HA ASP A 19 6.777 1.818 -9.318 1.00 2.10 H new ATOM 0 HB2 ASP A 19 4.894 2.240 -10.971 1.00 12.33 H new ATOM 0 HB3 ASP A 19 4.856 3.909 -10.437 1.00 12.33 H new ATOM 284 N MET A 20 5.960 4.506 -7.624 1.00 74.13 N ATOM 285 CA MET A 20 6.462 5.599 -6.764 1.00 4.21 C ATOM 286 C MET A 20 7.376 5.034 -5.659 1.00 41.43 C ATOM 287 O MET A 20 8.347 5.677 -5.260 1.00 51.35 O ATOM 288 CB MET A 20 5.274 6.348 -6.103 1.00 71.13 C ATOM 289 CG MET A 20 5.622 7.686 -5.429 1.00 10.50 C ATOM 290 SD MET A 20 6.033 8.975 -6.619 1.00 35.05 S ATOM 291 CE MET A 20 4.613 8.925 -7.720 1.00 13.14 C ATOM 0 H MET A 20 4.958 4.344 -7.528 1.00 74.13 H new ATOM 0 HA MET A 20 7.030 6.290 -7.387 1.00 4.21 H new ATOM 0 HB2 MET A 20 4.516 6.532 -6.864 1.00 71.13 H new ATOM 0 HB3 MET A 20 4.825 5.692 -5.357 1.00 71.13 H new ATOM 0 HG2 MET A 20 4.778 8.013 -4.822 1.00 10.50 H new ATOM 0 HG3 MET A 20 6.464 7.540 -4.752 1.00 10.50 H new ATOM 0 HE1 MET A 20 4.587 9.834 -8.321 1.00 13.14 H new ATOM 0 HE2 MET A 20 4.692 8.058 -8.376 1.00 13.14 H new ATOM 0 HE3 MET A 20 3.699 8.853 -7.131 1.00 13.14 H new ATOM 301 N GLY A 21 7.024 3.827 -5.171 1.00 13.40 N ATOM 302 CA GLY A 21 7.737 3.156 -4.079 1.00 62.03 C ATOM 303 C GLY A 21 6.780 2.710 -2.987 1.00 51.44 C ATOM 304 O GLY A 21 6.895 3.128 -1.828 1.00 64.55 O ATOM 0 H GLY A 21 6.232 3.293 -5.529 1.00 13.40 H new ATOM 0 HA2 GLY A 21 8.275 2.292 -4.470 1.00 62.03 H new ATOM 0 HA3 GLY A 21 8.482 3.832 -3.659 1.00 62.03 H new ATOM 308 N ALA A 22 5.823 1.848 -3.372 1.00 2.21 N ATOM 309 CA ALA A 22 4.799 1.304 -2.458 1.00 13.14 C ATOM 310 C ALA A 22 4.649 -0.211 -2.657 1.00 22.43 C ATOM 311 O ALA A 22 5.166 -0.777 -3.635 1.00 20.00 O ATOM 312 CB ALA A 22 3.458 2.046 -2.636 1.00 60.42 C ATOM 0 H ALA A 22 5.736 1.507 -4.329 1.00 2.21 H new ATOM 0 HA ALA A 22 5.124 1.467 -1.430 1.00 13.14 H new ATOM 0 HB1 ALA A 22 2.718 1.629 -1.953 1.00 60.42 H new ATOM 0 HB2 ALA A 22 3.596 3.105 -2.418 1.00 60.42 H new ATOM 0 HB3 ALA A 22 3.111 1.929 -3.663 1.00 60.42 H new ATOM 318 N ILE A 23 3.954 -0.861 -1.708 1.00 60.35 N ATOM 319 CA ILE A 23 3.792 -2.331 -1.668 1.00 74.25 C ATOM 320 C ILE A 23 2.299 -2.711 -1.674 1.00 13.53 C ATOM 321 O ILE A 23 1.446 -1.948 -1.198 1.00 45.41 O ATOM 322 CB ILE A 23 4.488 -2.953 -0.382 1.00 43.14 C ATOM 323 CG1 ILE A 23 3.843 -2.378 0.929 1.00 64.30 C ATOM 324 CG2 ILE A 23 6.025 -2.715 -0.397 1.00 23.22 C ATOM 325 CD1 ILE A 23 4.404 -2.914 2.235 1.00 31.21 C ATOM 0 H ILE A 23 3.484 -0.381 -0.940 1.00 60.35 H new ATOM 0 HA ILE A 23 4.274 -2.737 -2.557 1.00 74.25 H new ATOM 0 HB ILE A 23 4.323 -4.030 -0.401 1.00 43.14 H new ATOM 0 HG12 ILE A 23 3.960 -1.294 0.923 1.00 64.30 H new ATOM 0 HG13 ILE A 23 2.773 -2.583 0.904 1.00 64.30 H new ATOM 0 HG21 ILE A 23 6.470 -3.153 0.497 1.00 23.22 H new ATOM 0 HG22 ILE A 23 6.457 -3.181 -1.283 1.00 23.22 H new ATOM 0 HG23 ILE A 23 6.227 -1.644 -0.415 1.00 23.22 H new ATOM 0 HD11 ILE A 23 3.885 -2.448 3.072 1.00 31.21 H new ATOM 0 HD12 ILE A 23 4.262 -3.994 2.276 1.00 31.21 H new ATOM 0 HD13 ILE A 23 5.468 -2.685 2.295 1.00 31.21 H new ATOM 337 N TYR A 24 1.997 -3.900 -2.217 1.00 72.22 N ATOM 338 CA TYR A 24 0.664 -4.514 -2.116 1.00 70.54 C ATOM 339 C TYR A 24 0.699 -5.580 -1.014 1.00 21.02 C ATOM 340 O TYR A 24 1.546 -6.489 -1.047 1.00 74.24 O ATOM 341 CB TYR A 24 0.234 -5.182 -3.446 1.00 32.24 C ATOM 342 CG TYR A 24 -0.064 -4.227 -4.620 1.00 2.04 C ATOM 343 CD1 TYR A 24 -1.086 -3.275 -4.538 1.00 23.22 C ATOM 344 CD2 TYR A 24 0.631 -4.326 -5.835 1.00 53.04 C ATOM 345 CE1 TYR A 24 -1.393 -2.459 -5.614 1.00 72.04 C ATOM 346 CE2 TYR A 24 0.330 -3.509 -6.905 1.00 12.30 C ATOM 347 CZ TYR A 24 -0.682 -2.584 -6.793 1.00 51.14 C ATOM 348 OH TYR A 24 -0.983 -1.777 -7.867 1.00 15.23 O ATOM 0 H TYR A 24 2.669 -4.463 -2.738 1.00 72.22 H new ATOM 0 HA TYR A 24 -0.057 -3.730 -1.885 1.00 70.54 H new ATOM 0 HB2 TYR A 24 1.021 -5.870 -3.755 1.00 32.24 H new ATOM 0 HB3 TYR A 24 -0.657 -5.781 -3.257 1.00 32.24 H new ATOM 0 HD1 TYR A 24 -1.645 -3.175 -3.620 1.00 23.22 H new ATOM 0 HD2 TYR A 24 1.419 -5.058 -5.935 1.00 53.04 H new ATOM 0 HE1 TYR A 24 -2.184 -1.728 -5.532 1.00 72.04 H new ATOM 0 HE2 TYR A 24 0.886 -3.595 -7.827 1.00 12.30 H new ATOM 0 HH TYR A 24 -0.565 -0.899 -7.744 1.00 15.23 H new ATOM 358 N VAL A 25 -0.204 -5.451 -0.033 1.00 71.12 N ATOM 359 CA VAL A 25 -0.421 -6.475 1.006 1.00 3.30 C ATOM 360 C VAL A 25 -1.847 -7.039 0.897 1.00 52.30 C ATOM 361 O VAL A 25 -2.657 -6.547 0.109 1.00 11.11 O ATOM 362 CB VAL A 25 -0.135 -5.929 2.464 1.00 2.31 C ATOM 363 CG1 VAL A 25 1.309 -5.377 2.579 1.00 71.43 C ATOM 364 CG2 VAL A 25 -1.184 -4.892 2.944 1.00 13.32 C ATOM 0 H VAL A 25 -0.807 -4.634 0.066 1.00 71.12 H new ATOM 0 HA VAL A 25 0.295 -7.278 0.832 1.00 3.30 H new ATOM 0 HB VAL A 25 -0.228 -6.781 3.138 1.00 2.31 H new ATOM 0 HG11 VAL A 25 1.478 -5.009 3.591 1.00 71.43 H new ATOM 0 HG12 VAL A 25 2.021 -6.172 2.359 1.00 71.43 H new ATOM 0 HG13 VAL A 25 1.444 -4.562 1.869 1.00 71.43 H new ATOM 0 HG21 VAL A 25 -0.931 -4.557 3.950 1.00 13.32 H new ATOM 0 HG22 VAL A 25 -1.187 -4.038 2.267 1.00 13.32 H new ATOM 0 HG23 VAL A 25 -2.172 -5.352 2.953 1.00 13.32 H new ATOM 374 N ASN A 26 -2.134 -8.108 1.652 1.00 14.54 N ATOM 375 CA ASN A 26 -3.495 -8.693 1.741 1.00 62.01 C ATOM 376 C ASN A 26 -4.247 -8.124 2.959 1.00 1.23 C ATOM 377 O ASN A 26 -3.765 -7.202 3.628 1.00 64.02 O ATOM 378 CB ASN A 26 -3.416 -10.252 1.803 1.00 51.23 C ATOM 379 CG ASN A 26 -2.637 -10.820 2.995 1.00 74.21 C ATOM 380 OD1 ASN A 26 -1.742 -10.180 3.531 1.00 3.11 O ATOM 381 ND2 ASN A 26 -2.952 -12.037 3.405 1.00 53.31 N ATOM 0 H ASN A 26 -1.440 -8.595 2.218 1.00 14.54 H new ATOM 0 HA ASN A 26 -4.053 -8.420 0.845 1.00 62.01 H new ATOM 0 HB2 ASN A 26 -4.430 -10.650 1.829 1.00 51.23 H new ATOM 0 HB3 ASN A 26 -2.956 -10.613 0.883 1.00 51.23 H new ATOM 0 HD21 ASN A 26 -2.445 -12.460 4.183 1.00 53.31 H new ATOM 0 HD22 ASN A 26 -3.702 -12.552 2.944 1.00 53.31 H new ATOM 388 N SER A 27 -5.431 -8.698 3.233 1.00 60.01 N ATOM 389 CA SER A 27 -6.269 -8.358 4.403 1.00 51.31 C ATOM 390 C SER A 27 -5.577 -8.682 5.749 1.00 0.24 C ATOM 391 O SER A 27 -6.052 -8.257 6.812 1.00 43.40 O ATOM 392 CB SER A 27 -7.591 -9.135 4.295 1.00 14.31 C ATOM 393 OG SER A 27 -7.336 -10.532 4.195 1.00 73.01 O ATOM 0 H SER A 27 -5.841 -9.421 2.642 1.00 60.01 H new ATOM 0 HA SER A 27 -6.444 -7.282 4.394 1.00 51.31 H new ATOM 0 HB2 SER A 27 -8.212 -8.933 5.168 1.00 14.31 H new ATOM 0 HB3 SER A 27 -8.149 -8.797 3.422 1.00 14.31 H new ATOM 0 HG SER A 27 -8.186 -11.016 4.129 1.00 73.01 H new ATOM 399 N LYS A 28 -4.480 -9.457 5.703 1.00 4.22 N ATOM 400 CA LYS A 28 -3.707 -9.839 6.895 1.00 50.33 C ATOM 401 C LYS A 28 -2.490 -8.910 7.058 1.00 42.53 C ATOM 402 O LYS A 28 -2.154 -8.523 8.170 1.00 41.21 O ATOM 403 CB LYS A 28 -3.274 -11.326 6.800 1.00 53.03 C ATOM 404 CG LYS A 28 -4.434 -12.317 6.548 1.00 64.03 C ATOM 405 CD LYS A 28 -5.525 -12.242 7.637 1.00 53.21 C ATOM 406 CE LYS A 28 -6.691 -13.212 7.396 1.00 40.52 C ATOM 407 NZ LYS A 28 -7.743 -13.070 8.441 1.00 24.20 N ATOM 0 H LYS A 28 -4.104 -9.837 4.834 1.00 4.22 H new ATOM 0 HA LYS A 28 -4.335 -9.729 7.779 1.00 50.33 H new ATOM 0 HB2 LYS A 28 -2.545 -11.428 5.996 1.00 53.03 H new ATOM 0 HB3 LYS A 28 -2.770 -11.604 7.725 1.00 53.03 H new ATOM 0 HG2 LYS A 28 -4.881 -12.108 5.576 1.00 64.03 H new ATOM 0 HG3 LYS A 28 -4.038 -13.331 6.505 1.00 64.03 H new ATOM 0 HD2 LYS A 28 -5.076 -12.458 8.607 1.00 53.21 H new ATOM 0 HD3 LYS A 28 -5.912 -11.224 7.684 1.00 53.21 H new ATOM 0 HE2 LYS A 28 -7.125 -13.025 6.414 1.00 40.52 H new ATOM 0 HE3 LYS A 28 -6.318 -14.236 7.390 1.00 40.52 H new ATOM 0 HZ1 LYS A 28 -8.516 -13.739 8.249 1.00 24.20 H new ATOM 0 HZ2 LYS A 28 -7.334 -13.273 9.375 1.00 24.20 H new ATOM 0 HZ3 LYS A 28 -8.115 -12.099 8.429 1.00 24.20 H new ATOM 421 N GLY A 29 -1.856 -8.528 5.933 1.00 1.42 N ATOM 422 CA GLY A 29 -0.710 -7.599 5.949 1.00 25.41 C ATOM 423 C GLY A 29 0.546 -8.155 5.299 1.00 73.03 C ATOM 424 O GLY A 29 1.530 -7.431 5.158 1.00 71.55 O ATOM 0 H GLY A 29 -2.118 -8.849 5.001 1.00 1.42 H new ATOM 0 HA2 GLY A 29 -0.994 -6.679 5.438 1.00 25.41 H new ATOM 0 HA3 GLY A 29 -0.485 -7.334 6.982 1.00 25.41 H new ATOM 428 N ASP A 30 0.504 -9.431 4.890 1.00 53.32 N ATOM 429 CA ASP A 30 1.618 -10.117 4.196 1.00 52.52 C ATOM 430 C ASP A 30 1.881 -9.497 2.823 1.00 52.03 C ATOM 431 O ASP A 30 0.938 -9.075 2.146 1.00 73.11 O ATOM 432 CB ASP A 30 1.297 -11.617 3.981 1.00 51.21 C ATOM 433 CG ASP A 30 0.808 -12.303 5.252 1.00 11.23 C ATOM 434 OD1 ASP A 30 1.646 -12.755 6.065 1.00 72.23 O ATOM 435 OD2 ASP A 30 -0.423 -12.375 5.448 1.00 54.42 O ATOM 0 H ASP A 30 -0.311 -10.028 5.031 1.00 53.32 H new ATOM 0 HA ASP A 30 2.497 -10.006 4.830 1.00 52.52 H new ATOM 0 HB2 ASP A 30 0.537 -11.714 3.205 1.00 51.21 H new ATOM 0 HB3 ASP A 30 2.190 -12.127 3.618 1.00 51.21 H new ATOM 440 N ARG A 31 3.156 -9.517 2.396 1.00 22.45 N ATOM 441 CA ARG A 31 3.579 -8.988 1.084 1.00 74.50 C ATOM 442 C ARG A 31 3.162 -9.975 -0.021 1.00 70.52 C ATOM 443 O ARG A 31 3.913 -10.910 -0.339 1.00 54.12 O ATOM 444 CB ARG A 31 5.126 -8.725 1.028 1.00 51.03 C ATOM 445 CG ARG A 31 5.682 -7.820 2.158 1.00 63.04 C ATOM 446 CD ARG A 31 6.081 -8.587 3.446 1.00 2.42 C ATOM 447 NE ARG A 31 7.412 -9.182 3.327 1.00 73.35 N ATOM 448 CZ ARG A 31 8.131 -9.751 4.304 1.00 70.22 C ATOM 449 NH1 ARG A 31 7.661 -9.861 5.545 1.00 22.42 N ATOM 450 NH2 ARG A 31 9.351 -10.199 4.017 1.00 42.14 N ATOM 0 H ARG A 31 3.923 -9.900 2.949 1.00 22.45 H new ATOM 0 HA ARG A 31 3.086 -8.029 0.928 1.00 74.50 H new ATOM 0 HB2 ARG A 31 5.643 -9.684 1.064 1.00 51.03 H new ATOM 0 HB3 ARG A 31 5.367 -8.269 0.068 1.00 51.03 H new ATOM 0 HG2 ARG A 31 6.553 -7.283 1.783 1.00 63.04 H new ATOM 0 HG3 ARG A 31 4.931 -7.071 2.412 1.00 63.04 H new ATOM 0 HD2 ARG A 31 6.061 -7.906 4.297 1.00 2.42 H new ATOM 0 HD3 ARG A 31 5.349 -9.369 3.646 1.00 2.42 H new ATOM 0 HE ARG A 31 7.839 -9.162 2.401 1.00 73.35 H new ATOM 0 HH11 ARG A 31 6.731 -9.507 5.772 1.00 22.42 H new ATOM 0 HH12 ARG A 31 8.230 -10.299 6.269 1.00 22.42 H new ATOM 0 HH21 ARG A 31 9.719 -10.105 3.070 1.00 42.14 H new ATOM 0 HH22 ARG A 31 9.918 -10.636 4.744 1.00 42.14 H new ATOM 464 N ILE A 32 1.936 -9.792 -0.556 1.00 50.22 N ATOM 465 CA ILE A 32 1.398 -10.639 -1.646 1.00 55.54 C ATOM 466 C ILE A 32 2.209 -10.450 -2.933 1.00 33.44 C ATOM 467 O ILE A 32 2.381 -11.386 -3.726 1.00 43.21 O ATOM 468 CB ILE A 32 -0.130 -10.377 -1.919 1.00 63.23 C ATOM 469 CG1 ILE A 32 -0.421 -8.885 -2.294 1.00 74.41 C ATOM 470 CG2 ILE A 32 -0.974 -10.843 -0.718 1.00 34.25 C ATOM 471 CD1 ILE A 32 -1.862 -8.583 -2.687 1.00 61.11 C ATOM 0 H ILE A 32 1.295 -9.060 -0.249 1.00 50.22 H new ATOM 0 HA ILE A 32 1.492 -11.673 -1.313 1.00 55.54 H new ATOM 0 HB ILE A 32 -0.419 -10.967 -2.789 1.00 63.23 H new ATOM 0 HG12 ILE A 32 -0.153 -8.255 -1.446 1.00 74.41 H new ATOM 0 HG13 ILE A 32 0.231 -8.601 -3.120 1.00 74.41 H new ATOM 0 HG21 ILE A 32 -2.029 -10.656 -0.920 1.00 34.25 H new ATOM 0 HG22 ILE A 32 -0.819 -11.910 -0.556 1.00 34.25 H new ATOM 0 HG23 ILE A 32 -0.672 -10.293 0.174 1.00 34.25 H new ATOM 0 HD11 ILE A 32 -1.959 -7.524 -2.928 1.00 61.11 H new ATOM 0 HD12 ILE A 32 -2.134 -9.180 -3.557 1.00 61.11 H new ATOM 0 HD13 ILE A 32 -2.525 -8.828 -1.857 1.00 61.11 H new ATOM 483 N VAL A 33 2.693 -9.218 -3.120 1.00 43.52 N ATOM 484 CA VAL A 33 3.683 -8.883 -4.129 1.00 52.31 C ATOM 485 C VAL A 33 4.378 -7.573 -3.700 1.00 41.31 C ATOM 486 O VAL A 33 3.730 -6.670 -3.134 1.00 12.00 O ATOM 487 CB VAL A 33 3.060 -8.799 -5.578 1.00 40.45 C ATOM 488 CG1 VAL A 33 2.040 -7.649 -5.709 1.00 74.40 C ATOM 489 CG2 VAL A 33 4.165 -8.754 -6.669 1.00 43.11 C ATOM 0 H VAL A 33 2.398 -8.417 -2.561 1.00 43.52 H new ATOM 0 HA VAL A 33 4.425 -9.679 -4.194 1.00 52.31 H new ATOM 0 HB VAL A 33 2.495 -9.716 -5.744 1.00 40.45 H new ATOM 0 HG11 VAL A 33 1.639 -7.632 -6.723 1.00 74.40 H new ATOM 0 HG12 VAL A 33 1.227 -7.802 -5.000 1.00 74.40 H new ATOM 0 HG13 VAL A 33 2.533 -6.700 -5.497 1.00 74.40 H new ATOM 0 HG21 VAL A 33 3.702 -8.696 -7.654 1.00 43.11 H new ATOM 0 HG22 VAL A 33 4.795 -7.878 -6.513 1.00 43.11 H new ATOM 0 HG23 VAL A 33 4.775 -9.655 -6.607 1.00 43.11 H new ATOM 499 N ASN A 34 5.702 -7.510 -3.924 1.00 5.42 N ATOM 500 CA ASN A 34 6.573 -6.389 -3.500 1.00 0.10 C ATOM 501 C ASN A 34 6.106 -5.043 -4.112 1.00 51.34 C ATOM 502 O ASN A 34 6.060 -4.024 -3.421 1.00 64.41 O ATOM 503 CB ASN A 34 8.059 -6.706 -3.868 1.00 53.22 C ATOM 504 CG ASN A 34 8.313 -6.971 -5.365 1.00 54.22 C ATOM 505 OD1 ASN A 34 7.425 -7.379 -6.113 1.00 2.32 O ATOM 506 ND2 ASN A 34 9.545 -6.807 -5.796 1.00 31.21 N ATOM 0 H ASN A 34 6.210 -8.247 -4.413 1.00 5.42 H new ATOM 0 HA ASN A 34 6.500 -6.281 -2.418 1.00 0.10 H new ATOM 0 HB2 ASN A 34 8.683 -5.871 -3.551 1.00 53.22 H new ATOM 0 HB3 ASN A 34 8.381 -7.578 -3.299 1.00 53.22 H new ATOM 0 HD21 ASN A 34 9.778 -7.019 -6.766 1.00 31.21 H new ATOM 0 HD22 ASN A 34 10.267 -6.468 -5.160 1.00 31.21 H new ATOM 513 N GLU A 35 5.754 -5.077 -5.406 1.00 35.35 N ATOM 514 CA GLU A 35 5.208 -3.934 -6.170 1.00 64.50 C ATOM 515 C GLU A 35 4.475 -4.474 -7.420 1.00 74.51 C ATOM 516 O GLU A 35 4.028 -5.628 -7.412 1.00 71.35 O ATOM 517 CB GLU A 35 6.339 -2.873 -6.487 1.00 44.44 C ATOM 518 CG GLU A 35 7.741 -3.418 -6.891 1.00 34.13 C ATOM 519 CD GLU A 35 7.820 -4.113 -8.262 1.00 22.11 C ATOM 520 OE1 GLU A 35 7.391 -3.502 -9.265 1.00 33.44 O ATOM 521 OE2 GLU A 35 8.367 -5.238 -8.350 1.00 73.41 O ATOM 0 H GLU A 35 5.842 -5.922 -5.970 1.00 35.35 H new ATOM 0 HA GLU A 35 4.473 -3.390 -5.577 1.00 64.50 H new ATOM 0 HB2 GLU A 35 5.982 -2.231 -7.293 1.00 44.44 H new ATOM 0 HB3 GLU A 35 6.464 -2.241 -5.608 1.00 44.44 H new ATOM 0 HG2 GLU A 35 8.448 -2.589 -6.884 1.00 34.13 H new ATOM 0 HG3 GLU A 35 8.069 -4.123 -6.128 1.00 34.13 H new ATOM 528 N SER A 36 4.306 -3.647 -8.471 1.00 3.40 N ATOM 529 CA SER A 36 3.689 -4.078 -9.748 1.00 44.50 C ATOM 530 C SER A 36 4.720 -4.839 -10.617 1.00 4.21 C ATOM 531 O SER A 36 5.054 -4.417 -11.732 1.00 11.11 O ATOM 532 CB SER A 36 3.113 -2.842 -10.492 1.00 1.32 C ATOM 533 OG SER A 36 2.031 -2.272 -9.770 1.00 1.44 O ATOM 0 H SER A 36 4.590 -2.667 -8.462 1.00 3.40 H new ATOM 0 HA SER A 36 2.868 -4.765 -9.542 1.00 44.50 H new ATOM 0 HB2 SER A 36 3.897 -2.097 -10.628 1.00 1.32 H new ATOM 0 HB3 SER A 36 2.777 -3.136 -11.486 1.00 1.32 H new ATOM 0 HG SER A 36 2.342 -1.478 -9.287 1.00 1.44 H new ATOM 539 N ASN A 37 5.211 -5.975 -10.083 1.00 0.31 N ATOM 540 CA ASN A 37 6.207 -6.831 -10.747 1.00 62.14 C ATOM 541 C ASN A 37 5.568 -7.502 -11.976 1.00 43.43 C ATOM 542 O ASN A 37 6.083 -7.411 -13.092 1.00 44.03 O ATOM 543 CB ASN A 37 6.754 -7.892 -9.752 1.00 3.53 C ATOM 544 CG ASN A 37 8.014 -8.600 -10.262 1.00 50.41 C ATOM 545 OD1 ASN A 37 7.936 -9.583 -11.001 1.00 45.52 O ATOM 546 ND2 ASN A 37 9.182 -8.107 -9.874 1.00 60.32 N ATOM 0 H ASN A 37 4.923 -6.325 -9.169 1.00 0.31 H new ATOM 0 HA ASN A 37 7.047 -6.221 -11.080 1.00 62.14 H new ATOM 0 HB2 ASN A 37 6.976 -7.409 -8.800 1.00 3.53 H new ATOM 0 HB3 ASN A 37 5.980 -8.635 -9.560 1.00 3.53 H new ATOM 0 HD21 ASN A 37 10.049 -8.543 -10.188 1.00 60.32 H new ATOM 0 HD22 ASN A 37 9.213 -7.292 -9.262 1.00 60.32 H new ATOM 553 N VAL A 38 4.418 -8.164 -11.739 1.00 5.24 N ATOM 554 CA VAL A 38 3.588 -8.761 -12.798 1.00 63.24 C ATOM 555 C VAL A 38 2.163 -9.015 -12.253 1.00 64.02 C ATOM 556 O VAL A 38 1.993 -9.381 -11.078 1.00 51.32 O ATOM 557 CB VAL A 38 4.222 -10.081 -13.399 1.00 33.33 C ATOM 558 CG1 VAL A 38 4.449 -11.169 -12.323 1.00 42.41 C ATOM 559 CG2 VAL A 38 3.393 -10.609 -14.600 1.00 21.12 C ATOM 0 H VAL A 38 4.039 -8.299 -10.802 1.00 5.24 H new ATOM 0 HA VAL A 38 3.537 -8.053 -13.625 1.00 63.24 H new ATOM 0 HB VAL A 38 5.210 -9.818 -13.777 1.00 33.33 H new ATOM 0 HG11 VAL A 38 4.885 -12.054 -12.787 1.00 42.41 H new ATOM 0 HG12 VAL A 38 5.126 -10.789 -11.558 1.00 42.41 H new ATOM 0 HG13 VAL A 38 3.496 -11.432 -11.865 1.00 42.41 H new ATOM 0 HG21 VAL A 38 3.855 -11.516 -14.990 1.00 21.12 H new ATOM 0 HG22 VAL A 38 2.378 -10.831 -14.272 1.00 21.12 H new ATOM 0 HG23 VAL A 38 3.364 -9.851 -15.383 1.00 21.12 H new ATOM 569 N TYR A 39 1.148 -8.798 -13.120 1.00 72.05 N ATOM 570 CA TYR A 39 -0.286 -8.926 -12.776 1.00 73.53 C ATOM 571 C TYR A 39 -0.655 -10.358 -12.352 1.00 31.44 C ATOM 572 O TYR A 39 -1.589 -10.544 -11.574 1.00 73.31 O ATOM 573 CB TYR A 39 -1.172 -8.489 -13.976 1.00 62.31 C ATOM 574 CG TYR A 39 -1.065 -9.384 -15.228 1.00 71.54 C ATOM 575 CD1 TYR A 39 0.031 -9.300 -16.096 1.00 65.54 C ATOM 576 CD2 TYR A 39 -2.059 -10.322 -15.536 1.00 71.44 C ATOM 577 CE1 TYR A 39 0.125 -10.109 -17.212 1.00 63.44 C ATOM 578 CE2 TYR A 39 -1.962 -11.131 -16.650 1.00 61.33 C ATOM 579 CZ TYR A 39 -0.869 -11.019 -17.484 1.00 34.22 C ATOM 580 OH TYR A 39 -0.767 -11.829 -18.591 1.00 2.21 O ATOM 0 H TYR A 39 1.304 -8.526 -14.090 1.00 72.05 H new ATOM 0 HA TYR A 39 -0.471 -8.269 -11.926 1.00 73.53 H new ATOM 0 HB2 TYR A 39 -2.212 -8.468 -13.651 1.00 62.31 H new ATOM 0 HB3 TYR A 39 -0.904 -7.469 -14.253 1.00 62.31 H new ATOM 0 HD1 TYR A 39 0.818 -8.589 -15.889 1.00 65.54 H new ATOM 0 HD2 TYR A 39 -2.919 -10.414 -14.889 1.00 71.44 H new ATOM 0 HE1 TYR A 39 0.978 -10.027 -17.870 1.00 63.44 H new ATOM 0 HE2 TYR A 39 -2.739 -11.849 -16.868 1.00 61.33 H new ATOM 0 HH TYR A 39 -1.550 -12.416 -18.640 1.00 2.21 H new ATOM 590 N THR A 40 0.074 -11.359 -12.891 1.00 12.42 N ATOM 591 CA THR A 40 -0.168 -12.775 -12.586 1.00 24.13 C ATOM 592 C THR A 40 0.065 -13.036 -11.088 1.00 72.01 C ATOM 593 O THR A 40 -0.851 -13.450 -10.384 1.00 3.15 O ATOM 594 CB THR A 40 0.732 -13.718 -13.458 1.00 45.32 C ATOM 595 OG1 THR A 40 2.110 -13.358 -13.298 1.00 53.12 O ATOM 596 CG2 THR A 40 0.368 -13.653 -14.957 1.00 14.44 C ATOM 0 H THR A 40 0.841 -11.204 -13.545 1.00 12.42 H new ATOM 0 HA THR A 40 -1.206 -13.000 -12.831 1.00 24.13 H new ATOM 0 HB THR A 40 0.559 -14.737 -13.112 1.00 45.32 H new ATOM 0 HG1 THR A 40 2.668 -13.951 -13.843 1.00 53.12 H new ATOM 0 HG21 THR A 40 1.019 -14.323 -15.519 1.00 14.44 H new ATOM 0 HG22 THR A 40 -0.670 -13.957 -15.093 1.00 14.44 H new ATOM 0 HG23 THR A 40 0.498 -12.633 -15.319 1.00 14.44 H new ATOM 604 N THR A 41 1.282 -12.723 -10.609 1.00 71.04 N ATOM 605 CA THR A 41 1.674 -12.905 -9.202 1.00 11.33 C ATOM 606 C THR A 41 0.755 -12.105 -8.246 1.00 3.42 C ATOM 607 O THR A 41 0.321 -12.629 -7.219 1.00 31.45 O ATOM 608 CB THR A 41 3.158 -12.473 -9.003 1.00 64.42 C ATOM 609 OG1 THR A 41 3.997 -13.227 -9.895 1.00 51.00 O ATOM 610 CG2 THR A 41 3.648 -12.673 -7.559 1.00 25.23 C ATOM 0 H THR A 41 2.024 -12.335 -11.191 1.00 71.04 H new ATOM 0 HA THR A 41 1.567 -13.962 -8.959 1.00 11.33 H new ATOM 0 HB THR A 41 3.216 -11.407 -9.222 1.00 64.42 H new ATOM 0 HG1 THR A 41 4.931 -12.956 -9.773 1.00 51.00 H new ATOM 0 HG21 THR A 41 4.688 -12.355 -7.480 1.00 25.23 H new ATOM 0 HG22 THR A 41 3.035 -12.079 -6.881 1.00 25.23 H new ATOM 0 HG23 THR A 41 3.569 -13.727 -7.291 1.00 25.23 H new ATOM 618 N PHE A 42 0.457 -10.847 -8.625 1.00 50.34 N ATOM 619 CA PHE A 42 -0.408 -9.939 -7.841 1.00 35.52 C ATOM 620 C PHE A 42 -1.824 -10.535 -7.653 1.00 22.31 C ATOM 621 O PHE A 42 -2.246 -10.802 -6.523 1.00 65.42 O ATOM 622 CB PHE A 42 -0.468 -8.544 -8.536 1.00 31.23 C ATOM 623 CG PHE A 42 -1.498 -7.556 -7.961 1.00 71.45 C ATOM 624 CD1 PHE A 42 -1.531 -7.252 -6.596 1.00 14.12 C ATOM 625 CD2 PHE A 42 -2.431 -6.927 -8.793 1.00 4.20 C ATOM 626 CE1 PHE A 42 -2.459 -6.358 -6.089 1.00 54.34 C ATOM 627 CE2 PHE A 42 -3.356 -6.033 -8.281 1.00 33.12 C ATOM 628 CZ PHE A 42 -3.370 -5.748 -6.930 1.00 2.52 C ATOM 0 H PHE A 42 0.810 -10.429 -9.486 1.00 50.34 H new ATOM 0 HA PHE A 42 0.021 -9.817 -6.846 1.00 35.52 H new ATOM 0 HB2 PHE A 42 0.519 -8.086 -8.477 1.00 31.23 H new ATOM 0 HB3 PHE A 42 -0.687 -8.694 -9.593 1.00 31.23 H new ATOM 0 HD1 PHE A 42 -0.823 -7.721 -5.929 1.00 14.12 H new ATOM 0 HD2 PHE A 42 -2.429 -7.142 -9.851 1.00 4.20 H new ATOM 0 HE1 PHE A 42 -2.471 -6.137 -5.032 1.00 54.34 H new ATOM 0 HE2 PHE A 42 -4.068 -5.558 -8.940 1.00 33.12 H new ATOM 0 HZ PHE A 42 -4.091 -5.050 -6.532 1.00 2.52 H new ATOM 638 N ARG A 43 -2.515 -10.770 -8.779 1.00 72.13 N ATOM 639 CA ARG A 43 -3.931 -11.199 -8.803 1.00 53.44 C ATOM 640 C ARG A 43 -4.111 -12.586 -8.156 1.00 42.50 C ATOM 641 O ARG A 43 -5.037 -12.789 -7.365 1.00 62.22 O ATOM 642 CB ARG A 43 -4.453 -11.197 -10.263 1.00 24.43 C ATOM 643 CG ARG A 43 -5.960 -11.512 -10.420 1.00 33.41 C ATOM 644 CD ARG A 43 -6.431 -11.418 -11.884 1.00 72.13 C ATOM 645 NE ARG A 43 -7.888 -11.630 -12.026 1.00 3.32 N ATOM 646 CZ ARG A 43 -8.791 -10.692 -12.380 1.00 23.14 C ATOM 647 NH1 ARG A 43 -8.413 -9.437 -12.622 1.00 75.52 N ATOM 648 NH2 ARG A 43 -10.073 -11.027 -12.503 1.00 31.00 N ATOM 0 H ARG A 43 -2.108 -10.668 -9.709 1.00 72.13 H new ATOM 0 HA ARG A 43 -4.516 -10.491 -8.215 1.00 53.44 H new ATOM 0 HB2 ARG A 43 -4.254 -10.220 -10.703 1.00 24.43 H new ATOM 0 HB3 ARG A 43 -3.883 -11.927 -10.838 1.00 24.43 H new ATOM 0 HG2 ARG A 43 -6.160 -12.514 -10.041 1.00 33.41 H new ATOM 0 HG3 ARG A 43 -6.539 -10.819 -9.810 1.00 33.41 H new ATOM 0 HD2 ARG A 43 -6.169 -10.439 -12.284 1.00 72.13 H new ATOM 0 HD3 ARG A 43 -5.900 -12.159 -12.481 1.00 72.13 H new ATOM 0 HE ARG A 43 -8.241 -12.569 -11.840 1.00 3.32 H new ATOM 0 HH11 ARG A 43 -7.430 -9.176 -12.540 1.00 75.52 H new ATOM 0 HH12 ARG A 43 -9.106 -8.738 -12.889 1.00 75.52 H new ATOM 0 HH21 ARG A 43 -10.368 -11.988 -12.330 1.00 31.00 H new ATOM 0 HH22 ARG A 43 -10.761 -10.323 -12.770 1.00 31.00 H new ATOM 662 N ASN A 44 -3.196 -13.519 -8.485 1.00 61.44 N ATOM 663 CA ASN A 44 -3.215 -14.901 -7.950 1.00 30.44 C ATOM 664 C ASN A 44 -2.975 -14.915 -6.441 1.00 53.33 C ATOM 665 O ASN A 44 -3.554 -15.736 -5.739 1.00 11.44 O ATOM 666 CB ASN A 44 -2.166 -15.798 -8.659 1.00 72.34 C ATOM 667 CG ASN A 44 -2.505 -16.070 -10.127 1.00 61.22 C ATOM 668 OD1 ASN A 44 -3.675 -16.162 -10.506 1.00 62.13 O ATOM 669 ND2 ASN A 44 -1.486 -16.195 -10.968 1.00 13.40 N ATOM 0 H ASN A 44 -2.424 -13.340 -9.127 1.00 61.44 H new ATOM 0 HA ASN A 44 -4.207 -15.306 -8.149 1.00 30.44 H new ATOM 0 HB2 ASN A 44 -1.188 -15.320 -8.600 1.00 72.34 H new ATOM 0 HB3 ASN A 44 -2.089 -16.747 -8.128 1.00 72.34 H new ATOM 0 HD21 ASN A 44 -1.660 -16.372 -11.957 1.00 13.40 H new ATOM 0 HD22 ASN A 44 -0.529 -16.114 -10.625 1.00 13.40 H new ATOM 676 N ALA A 45 -2.134 -13.993 -5.948 1.00 12.00 N ATOM 677 CA ALA A 45 -1.844 -13.877 -4.505 1.00 42.23 C ATOM 678 C ALA A 45 -3.066 -13.343 -3.720 1.00 11.44 C ATOM 679 O ALA A 45 -3.217 -13.627 -2.522 1.00 43.53 O ATOM 680 CB ALA A 45 -0.607 -13.012 -4.286 1.00 32.01 C ATOM 0 H ALA A 45 -1.640 -13.314 -6.527 1.00 12.00 H new ATOM 0 HA ALA A 45 -1.635 -14.873 -4.115 1.00 42.23 H new ATOM 0 HB1 ALA A 45 -0.402 -12.933 -3.218 1.00 32.01 H new ATOM 0 HB2 ALA A 45 0.248 -13.466 -4.787 1.00 32.01 H new ATOM 0 HB3 ALA A 45 -0.781 -12.017 -4.696 1.00 32.01 H new ATOM 686 N ILE A 46 -3.936 -12.577 -4.418 1.00 15.21 N ATOM 687 CA ILE A 46 -5.252 -12.148 -3.885 1.00 5.23 C ATOM 688 C ILE A 46 -6.232 -13.349 -3.895 1.00 34.11 C ATOM 689 O ILE A 46 -7.059 -13.501 -2.992 1.00 12.40 O ATOM 690 CB ILE A 46 -5.870 -10.955 -4.718 1.00 60.50 C ATOM 691 CG1 ILE A 46 -4.853 -9.783 -4.886 1.00 24.02 C ATOM 692 CG2 ILE A 46 -7.184 -10.436 -4.071 1.00 64.32 C ATOM 693 CD1 ILE A 46 -5.330 -8.673 -5.808 1.00 22.40 C ATOM 0 H ILE A 46 -3.748 -12.240 -5.362 1.00 15.21 H new ATOM 0 HA ILE A 46 -5.097 -11.795 -2.866 1.00 5.23 H new ATOM 0 HB ILE A 46 -6.103 -11.346 -5.708 1.00 60.50 H new ATOM 0 HG12 ILE A 46 -4.639 -9.359 -3.905 1.00 24.02 H new ATOM 0 HG13 ILE A 46 -3.915 -10.183 -5.272 1.00 24.02 H new ATOM 0 HG21 ILE A 46 -7.584 -9.616 -4.667 1.00 64.32 H new ATOM 0 HG22 ILE A 46 -7.914 -11.245 -4.030 1.00 64.32 H new ATOM 0 HG23 ILE A 46 -6.977 -10.083 -3.061 1.00 64.32 H new ATOM 0 HD11 ILE A 46 -4.566 -7.898 -5.870 1.00 22.40 H new ATOM 0 HD12 ILE A 46 -5.516 -9.080 -6.802 1.00 22.40 H new ATOM 0 HD13 ILE A 46 -6.251 -8.243 -5.414 1.00 22.40 H new ATOM 705 N LEU A 47 -6.110 -14.201 -4.936 1.00 20.40 N ATOM 706 CA LEU A 47 -6.935 -15.422 -5.098 1.00 52.44 C ATOM 707 C LEU A 47 -6.513 -16.527 -4.103 1.00 63.23 C ATOM 708 O LEU A 47 -7.301 -17.434 -3.815 1.00 12.51 O ATOM 709 CB LEU A 47 -6.845 -15.948 -6.559 1.00 42.32 C ATOM 710 CG LEU A 47 -7.398 -15.006 -7.677 1.00 60.34 C ATOM 711 CD1 LEU A 47 -7.175 -15.610 -9.089 1.00 4.25 C ATOM 712 CD2 LEU A 47 -8.888 -14.660 -7.429 1.00 34.44 C ATOM 0 H LEU A 47 -5.436 -14.063 -5.689 1.00 20.40 H new ATOM 0 HA LEU A 47 -7.969 -15.155 -4.881 1.00 52.44 H new ATOM 0 HB2 LEU A 47 -5.799 -16.162 -6.780 1.00 42.32 H new ATOM 0 HB3 LEU A 47 -7.383 -16.895 -6.614 1.00 42.32 H new ATOM 0 HG LEU A 47 -6.835 -14.074 -7.635 1.00 60.34 H new ATOM 0 HD11 LEU A 47 -7.571 -14.929 -9.843 1.00 4.25 H new ATOM 0 HD12 LEU A 47 -6.108 -15.757 -9.258 1.00 4.25 H new ATOM 0 HD13 LEU A 47 -7.689 -16.569 -9.160 1.00 4.25 H new ATOM 0 HD21 LEU A 47 -9.246 -14.004 -8.222 1.00 34.44 H new ATOM 0 HD22 LEU A 47 -9.478 -15.576 -7.422 1.00 34.44 H new ATOM 0 HD23 LEU A 47 -8.989 -14.156 -6.468 1.00 34.44 H new ATOM 724 N LYS A 48 -5.268 -16.448 -3.595 1.00 53.21 N ATOM 725 CA LYS A 48 -4.736 -17.400 -2.591 1.00 53.22 C ATOM 726 C LYS A 48 -5.424 -17.212 -1.229 1.00 62.21 C ATOM 727 O LYS A 48 -5.718 -18.194 -0.534 1.00 73.13 O ATOM 728 CB LYS A 48 -3.199 -17.226 -2.437 1.00 75.30 C ATOM 729 CG LYS A 48 -2.364 -17.757 -3.628 1.00 72.24 C ATOM 730 CD LYS A 48 -0.855 -17.436 -3.495 1.00 21.34 C ATOM 731 CE LYS A 48 -0.236 -17.979 -2.194 1.00 1.14 C ATOM 732 NZ LYS A 48 -0.307 -19.461 -2.115 1.00 12.22 N ATOM 0 H LYS A 48 -4.601 -15.725 -3.866 1.00 53.21 H new ATOM 0 HA LYS A 48 -4.946 -18.409 -2.945 1.00 53.22 H new ATOM 0 HB2 LYS A 48 -2.979 -16.167 -2.300 1.00 75.30 H new ATOM 0 HB3 LYS A 48 -2.878 -17.738 -1.530 1.00 75.30 H new ATOM 0 HG2 LYS A 48 -2.496 -18.836 -3.705 1.00 72.24 H new ATOM 0 HG3 LYS A 48 -2.743 -17.323 -4.553 1.00 72.24 H new ATOM 0 HD2 LYS A 48 -0.323 -17.858 -4.348 1.00 21.34 H new ATOM 0 HD3 LYS A 48 -0.714 -16.356 -3.534 1.00 21.34 H new ATOM 0 HE2 LYS A 48 0.805 -17.663 -2.129 1.00 1.14 H new ATOM 0 HE3 LYS A 48 -0.754 -17.546 -1.339 1.00 1.14 H new ATOM 0 HZ1 LYS A 48 0.121 -19.782 -1.223 1.00 12.22 H new ATOM 0 HZ2 LYS A 48 -1.301 -19.763 -2.150 1.00 12.22 H new ATOM 0 HZ3 LYS A 48 0.210 -19.877 -2.916 1.00 12.22 H new ATOM 785 N LYS A 52 -10.204 -11.785 -0.926 1.00 73.51 N ATOM 786 CA LYS A 52 -10.438 -11.232 -2.277 1.00 34.01 C ATOM 787 C LYS A 52 -10.359 -9.689 -2.285 1.00 54.52 C ATOM 788 O LYS A 52 -11.002 -9.008 -3.104 1.00 43.01 O ATOM 789 CB LYS A 52 -11.774 -11.776 -2.882 1.00 32.44 C ATOM 790 CG LYS A 52 -11.842 -13.321 -2.932 1.00 64.43 C ATOM 791 CD LYS A 52 -10.728 -13.957 -3.800 1.00 23.15 C ATOM 792 CE LYS A 52 -10.727 -15.493 -3.729 1.00 11.30 C ATOM 793 NZ LYS A 52 -12.058 -16.070 -4.057 1.00 14.24 N ATOM 0 HA LYS A 52 -9.634 -11.577 -2.928 1.00 34.01 H new ATOM 0 HB2 LYS A 52 -12.610 -11.402 -2.292 1.00 32.44 H new ATOM 0 HB3 LYS A 52 -11.894 -11.382 -3.891 1.00 32.44 H new ATOM 0 HG2 LYS A 52 -11.771 -13.714 -1.918 1.00 64.43 H new ATOM 0 HG3 LYS A 52 -12.814 -13.622 -3.323 1.00 64.43 H new ATOM 0 HD2 LYS A 52 -10.857 -13.645 -4.836 1.00 23.15 H new ATOM 0 HD3 LYS A 52 -9.759 -13.581 -3.473 1.00 23.15 H new ATOM 0 HE2 LYS A 52 -9.982 -15.887 -4.420 1.00 11.30 H new ATOM 0 HE3 LYS A 52 -10.432 -15.809 -2.728 1.00 11.30 H new ATOM 0 HZ1 LYS A 52 -11.983 -17.106 -4.113 1.00 14.24 H new ATOM 0 HZ2 LYS A 52 -12.740 -15.812 -3.316 1.00 14.24 H new ATOM 0 HZ3 LYS A 52 -12.382 -15.696 -4.972 1.00 14.24 H new ATOM 807 N VAL A 53 -9.513 -9.147 -1.387 1.00 3.04 N ATOM 808 CA VAL A 53 -9.233 -7.714 -1.301 1.00 44.33 C ATOM 809 C VAL A 53 -7.748 -7.482 -0.928 1.00 23.52 C ATOM 810 O VAL A 53 -7.224 -8.042 0.045 1.00 5.33 O ATOM 811 CB VAL A 53 -10.201 -6.975 -0.291 1.00 13.40 C ATOM 812 CG1 VAL A 53 -10.239 -7.639 1.111 1.00 0.45 C ATOM 813 CG2 VAL A 53 -9.849 -5.471 -0.195 1.00 71.41 C ATOM 0 H VAL A 53 -9.005 -9.702 -0.699 1.00 3.04 H new ATOM 0 HA VAL A 53 -9.419 -7.280 -2.283 1.00 44.33 H new ATOM 0 HB VAL A 53 -11.209 -7.070 -0.696 1.00 13.40 H new ATOM 0 HG11 VAL A 53 -10.920 -7.086 1.757 1.00 0.45 H new ATOM 0 HG12 VAL A 53 -10.584 -8.669 1.017 1.00 0.45 H new ATOM 0 HG13 VAL A 53 -9.239 -7.630 1.545 1.00 0.45 H new ATOM 0 HG21 VAL A 53 -10.527 -4.983 0.505 1.00 71.41 H new ATOM 0 HG22 VAL A 53 -8.823 -5.359 0.156 1.00 71.41 H new ATOM 0 HG23 VAL A 53 -9.949 -5.011 -1.178 1.00 71.41 H new ATOM 823 N ALA A 54 -7.078 -6.645 -1.734 1.00 0.44 N ATOM 824 CA ALA A 54 -5.685 -6.232 -1.527 1.00 5.14 C ATOM 825 C ALA A 54 -5.668 -4.800 -0.977 1.00 12.31 C ATOM 826 O ALA A 54 -6.643 -4.055 -1.116 1.00 33.02 O ATOM 827 CB ALA A 54 -4.908 -6.314 -2.853 1.00 30.14 C ATOM 0 H ALA A 54 -7.499 -6.229 -2.564 1.00 0.44 H new ATOM 0 HA ALA A 54 -5.203 -6.898 -0.811 1.00 5.14 H new ATOM 0 HB1 ALA A 54 -3.875 -6.006 -2.689 1.00 30.14 H new ATOM 0 HB2 ALA A 54 -4.926 -7.339 -3.223 1.00 30.14 H new ATOM 0 HB3 ALA A 54 -5.371 -5.655 -3.588 1.00 30.14 H new ATOM 833 N TYR A 55 -4.553 -4.435 -0.338 1.00 55.20 N ATOM 834 CA TYR A 55 -4.388 -3.153 0.359 1.00 11.42 C ATOM 835 C TYR A 55 -3.015 -2.567 0.020 1.00 33.12 C ATOM 836 O TYR A 55 -1.976 -3.070 0.457 1.00 61.20 O ATOM 837 CB TYR A 55 -4.546 -3.347 1.889 1.00 22.21 C ATOM 838 CG TYR A 55 -5.976 -3.714 2.317 1.00 64.22 C ATOM 839 CD1 TYR A 55 -6.941 -2.723 2.517 1.00 23.43 C ATOM 840 CD2 TYR A 55 -6.365 -5.044 2.503 1.00 63.11 C ATOM 841 CE1 TYR A 55 -8.228 -3.047 2.884 1.00 20.33 C ATOM 842 CE2 TYR A 55 -7.654 -5.364 2.871 1.00 12.53 C ATOM 843 CZ TYR A 55 -8.577 -4.366 3.060 1.00 32.50 C ATOM 844 OH TYR A 55 -9.863 -4.684 3.414 1.00 54.22 O ATOM 0 H TYR A 55 -3.726 -5.030 -0.289 1.00 55.20 H new ATOM 0 HA TYR A 55 -5.160 -2.457 0.030 1.00 11.42 H new ATOM 0 HB2 TYR A 55 -3.864 -4.130 2.220 1.00 22.21 H new ATOM 0 HB3 TYR A 55 -4.248 -2.429 2.396 1.00 22.21 H new ATOM 0 HD1 TYR A 55 -6.673 -1.686 2.381 1.00 23.43 H new ATOM 0 HD2 TYR A 55 -5.643 -5.834 2.356 1.00 63.11 H new ATOM 0 HE1 TYR A 55 -8.961 -2.268 3.033 1.00 20.33 H new ATOM 0 HE2 TYR A 55 -7.937 -6.397 3.010 1.00 12.53 H new ATOM 0 HH TYR A 55 -10.487 -4.083 2.956 1.00 54.22 H new ATOM 854 N LEU A 56 -3.035 -1.532 -0.804 1.00 65.04 N ATOM 855 CA LEU A 56 -1.849 -0.789 -1.216 1.00 34.44 C ATOM 856 C LEU A 56 -1.393 0.152 -0.083 1.00 11.43 C ATOM 857 O LEU A 56 -2.038 1.174 0.187 1.00 40.11 O ATOM 858 CB LEU A 56 -2.205 -0.032 -2.517 1.00 45.14 C ATOM 859 CG LEU A 56 -1.149 0.928 -3.137 1.00 74.23 C ATOM 860 CD1 LEU A 56 0.233 0.263 -3.282 1.00 5.22 C ATOM 861 CD2 LEU A 56 -1.665 1.459 -4.496 1.00 33.12 C ATOM 0 H LEU A 56 -3.896 -1.174 -1.217 1.00 65.04 H new ATOM 0 HA LEU A 56 -1.008 -1.453 -1.414 1.00 34.44 H new ATOM 0 HB2 LEU A 56 -2.460 -0.775 -3.273 1.00 45.14 H new ATOM 0 HB3 LEU A 56 -3.107 0.549 -2.325 1.00 45.14 H new ATOM 0 HG LEU A 56 -1.012 1.767 -2.455 1.00 74.23 H new ATOM 0 HD11 LEU A 56 0.935 0.973 -3.719 1.00 5.22 H new ATOM 0 HD12 LEU A 56 0.593 -0.045 -2.301 1.00 5.22 H new ATOM 0 HD13 LEU A 56 0.150 -0.610 -3.929 1.00 5.22 H new ATOM 0 HD21 LEU A 56 -0.924 2.131 -4.929 1.00 33.12 H new ATOM 0 HD22 LEU A 56 -1.835 0.622 -5.173 1.00 33.12 H new ATOM 0 HD23 LEU A 56 -2.600 1.999 -4.345 1.00 33.12 H new ATOM 873 N VAL A 57 -0.293 -0.228 0.587 1.00 24.13 N ATOM 874 CA VAL A 57 0.307 0.561 1.669 1.00 13.41 C ATOM 875 C VAL A 57 1.300 1.554 1.046 1.00 10.12 C ATOM 876 O VAL A 57 2.248 1.145 0.364 1.00 13.11 O ATOM 877 CB VAL A 57 1.036 -0.359 2.728 1.00 31.02 C ATOM 878 CG1 VAL A 57 1.717 0.471 3.853 1.00 74.22 C ATOM 879 CG2 VAL A 57 0.050 -1.397 3.313 1.00 11.12 C ATOM 0 H VAL A 57 0.206 -1.096 0.390 1.00 24.13 H new ATOM 0 HA VAL A 57 -0.480 1.094 2.202 1.00 13.41 H new ATOM 0 HB VAL A 57 1.831 -0.894 2.208 1.00 31.02 H new ATOM 0 HG11 VAL A 57 2.205 -0.203 4.557 1.00 74.22 H new ATOM 0 HG12 VAL A 57 2.460 1.138 3.415 1.00 74.22 H new ATOM 0 HG13 VAL A 57 0.964 1.060 4.377 1.00 74.22 H new ATOM 0 HG21 VAL A 57 0.569 -2.022 4.040 1.00 11.12 H new ATOM 0 HG22 VAL A 57 -0.775 -0.880 3.802 1.00 11.12 H new ATOM 0 HG23 VAL A 57 -0.339 -2.022 2.509 1.00 11.12 H new ATOM 889 N MET A 58 1.028 2.848 1.248 1.00 1.00 N ATOM 890 CA MET A 58 1.866 3.962 0.781 1.00 52.54 C ATOM 891 C MET A 58 1.987 4.987 1.913 1.00 42.53 C ATOM 892 O MET A 58 1.372 4.825 2.973 1.00 12.25 O ATOM 893 CB MET A 58 1.231 4.629 -0.484 1.00 62.23 C ATOM 894 CG MET A 58 -0.051 5.446 -0.225 1.00 13.21 C ATOM 895 SD MET A 58 -0.695 6.255 -1.709 1.00 12.44 S ATOM 896 CE MET A 58 -1.233 4.858 -2.691 1.00 10.32 C ATOM 0 H MET A 58 0.198 3.159 1.753 1.00 1.00 H new ATOM 0 HA MET A 58 2.854 3.590 0.508 1.00 52.54 H new ATOM 0 HB2 MET A 58 1.973 5.284 -0.940 1.00 62.23 H new ATOM 0 HB3 MET A 58 1.004 3.849 -1.211 1.00 62.23 H new ATOM 0 HG2 MET A 58 -0.817 4.787 0.183 1.00 13.21 H new ATOM 0 HG3 MET A 58 0.155 6.202 0.532 1.00 13.21 H new ATOM 0 HE1 MET A 58 -1.777 5.216 -3.565 1.00 10.32 H new ATOM 0 HE2 MET A 58 -0.364 4.284 -3.014 1.00 10.32 H new ATOM 0 HE3 MET A 58 -1.886 4.222 -2.093 1.00 10.32 H new ATOM 906 N ASP A 59 2.765 6.044 1.678 1.00 3.14 N ATOM 907 CA ASP A 59 2.802 7.218 2.563 1.00 52.32 C ATOM 908 C ASP A 59 2.213 8.417 1.792 1.00 31.44 C ATOM 909 O ASP A 59 1.902 8.297 0.594 1.00 10.22 O ATOM 910 CB ASP A 59 4.260 7.475 3.040 1.00 51.41 C ATOM 911 CG ASP A 59 4.332 8.446 4.234 1.00 61.42 C ATOM 912 OD1 ASP A 59 4.151 8.002 5.390 1.00 13.42 O ATOM 913 OD2 ASP A 59 4.537 9.663 4.026 1.00 34.31 O ATOM 0 H ASP A 59 3.387 6.115 0.873 1.00 3.14 H new ATOM 0 HA ASP A 59 2.204 7.055 3.460 1.00 52.32 H new ATOM 0 HB2 ASP A 59 4.719 6.527 3.320 1.00 51.41 H new ATOM 0 HB3 ASP A 59 4.843 7.879 2.212 1.00 51.41 H new ATOM 918 N GLU A 60 2.062 9.564 2.475 1.00 24.21 N ATOM 919 CA GLU A 60 1.463 10.784 1.916 1.00 42.12 C ATOM 920 C GLU A 60 2.291 11.355 0.750 1.00 61.32 C ATOM 921 O GLU A 60 1.739 12.053 -0.103 1.00 32.44 O ATOM 922 CB GLU A 60 1.254 11.849 3.025 1.00 52.41 C ATOM 923 CG GLU A 60 0.357 13.022 2.587 1.00 71.34 C ATOM 924 CD GLU A 60 0.132 14.071 3.682 1.00 63.32 C ATOM 925 OE1 GLU A 60 1.067 14.847 3.962 1.00 74.21 O ATOM 926 OE2 GLU A 60 -0.983 14.145 4.242 1.00 54.52 O ATOM 0 H GLU A 60 2.358 9.670 3.445 1.00 24.21 H new ATOM 0 HA GLU A 60 0.489 10.511 1.510 1.00 42.12 H new ATOM 0 HB2 GLU A 60 0.812 11.370 3.899 1.00 52.41 H new ATOM 0 HB3 GLU A 60 2.225 12.239 3.331 1.00 52.41 H new ATOM 0 HG2 GLU A 60 0.806 13.506 1.720 1.00 71.34 H new ATOM 0 HG3 GLU A 60 -0.609 12.630 2.269 1.00 71.34 H new ATOM 933 N ARG A 61 3.601 11.032 0.715 1.00 24.02 N ATOM 934 CA ARG A 61 4.499 11.363 -0.419 1.00 33.23 C ATOM 935 C ARG A 61 3.872 10.854 -1.735 1.00 12.10 C ATOM 936 O ARG A 61 3.675 11.617 -2.696 1.00 32.11 O ATOM 937 CB ARG A 61 5.903 10.719 -0.180 1.00 31.14 C ATOM 938 CG ARG A 61 7.105 11.422 -0.870 1.00 14.21 C ATOM 939 CD ARG A 61 7.080 11.389 -2.419 1.00 51.43 C ATOM 940 NE ARG A 61 8.220 12.109 -3.013 1.00 13.23 N ATOM 941 CZ ARG A 61 8.178 12.903 -4.095 1.00 61.24 C ATOM 942 NH1 ARG A 61 7.047 13.100 -4.769 1.00 60.20 N ATOM 943 NH2 ARG A 61 9.298 13.515 -4.475 1.00 11.33 N ATOM 0 H ARG A 61 4.069 10.534 1.472 1.00 24.02 H new ATOM 0 HA ARG A 61 4.626 12.443 -0.492 1.00 33.23 H new ATOM 0 HB2 ARG A 61 6.091 10.694 0.893 1.00 31.14 H new ATOM 0 HB3 ARG A 61 5.868 9.685 -0.522 1.00 31.14 H new ATOM 0 HG2 ARG A 61 7.135 12.462 -0.544 1.00 14.21 H new ATOM 0 HG3 ARG A 61 8.027 10.953 -0.526 1.00 14.21 H new ATOM 0 HD2 ARG A 61 7.091 10.353 -2.758 1.00 51.43 H new ATOM 0 HD3 ARG A 61 6.149 11.831 -2.774 1.00 51.43 H new ATOM 0 HE ARG A 61 9.126 11.993 -2.560 1.00 13.23 H new ATOM 0 HH11 ARG A 61 6.187 12.643 -4.466 1.00 60.20 H new ATOM 0 HH12 ARG A 61 7.041 13.708 -5.588 1.00 60.20 H new ATOM 0 HH21 ARG A 61 10.160 13.375 -3.948 1.00 11.33 H new ATOM 0 HH22 ARG A 61 9.294 14.124 -5.293 1.00 11.33 H new ATOM 957 N THR A 62 3.546 9.563 -1.725 1.00 64.23 N ATOM 958 CA THR A 62 2.911 8.869 -2.840 1.00 65.22 C ATOM 959 C THR A 62 1.495 9.422 -3.090 1.00 11.13 C ATOM 960 O THR A 62 1.084 9.605 -4.249 1.00 42.03 O ATOM 961 CB THR A 62 2.857 7.343 -2.529 1.00 75.21 C ATOM 962 OG1 THR A 62 4.186 6.871 -2.237 1.00 11.51 O ATOM 963 CG2 THR A 62 2.252 6.521 -3.681 1.00 32.30 C ATOM 0 H THR A 62 3.721 8.958 -0.923 1.00 64.23 H new ATOM 0 HA THR A 62 3.496 9.032 -3.745 1.00 65.22 H new ATOM 0 HB THR A 62 2.204 7.207 -1.667 1.00 75.21 H new ATOM 0 HG1 THR A 62 4.156 5.912 -2.039 1.00 11.51 H new ATOM 0 HG21 THR A 62 2.240 5.466 -3.408 1.00 32.30 H new ATOM 0 HG22 THR A 62 1.233 6.858 -3.872 1.00 32.30 H new ATOM 0 HG23 THR A 62 2.854 6.656 -4.580 1.00 32.30 H new ATOM 971 N TRP A 63 0.784 9.725 -1.987 1.00 25.14 N ATOM 972 CA TRP A 63 -0.618 10.164 -2.027 1.00 64.13 C ATOM 973 C TRP A 63 -0.801 11.532 -2.717 1.00 25.21 C ATOM 974 O TRP A 63 -1.802 11.720 -3.404 1.00 1.04 O ATOM 975 CB TRP A 63 -1.237 10.184 -0.609 1.00 72.04 C ATOM 976 CG TRP A 63 -2.661 10.691 -0.595 1.00 71.35 C ATOM 977 CD1 TRP A 63 -3.116 11.888 -0.106 1.00 72.14 C ATOM 978 CD2 TRP A 63 -3.804 10.037 -1.171 1.00 35.32 C ATOM 979 NE1 TRP A 63 -4.468 11.993 -0.303 1.00 1.42 N ATOM 980 CE2 TRP A 63 -4.910 10.872 -0.959 1.00 14.34 C ATOM 981 CE3 TRP A 63 -3.998 8.817 -1.832 1.00 64.43 C ATOM 982 CZ2 TRP A 63 -6.185 10.533 -1.388 1.00 10.43 C ATOM 983 CZ3 TRP A 63 -5.268 8.485 -2.259 1.00 35.31 C ATOM 984 CH2 TRP A 63 -6.348 9.339 -2.035 1.00 40.22 C ATOM 0 H TRP A 63 1.169 9.671 -1.044 1.00 25.14 H new ATOM 0 HA TRP A 63 -1.150 9.430 -2.633 1.00 64.13 H new ATOM 0 HB2 TRP A 63 -1.211 9.177 -0.193 1.00 72.04 H new ATOM 0 HB3 TRP A 63 -0.627 10.813 0.039 1.00 72.04 H new ATOM 0 HD1 TRP A 63 -2.499 12.639 0.366 1.00 72.14 H new ATOM 0 HE1 TRP A 63 -5.051 12.777 -0.010 1.00 1.42 H new ATOM 0 HE3 TRP A 63 -3.168 8.148 -2.005 1.00 64.43 H new ATOM 0 HZ2 TRP A 63 -7.023 11.192 -1.216 1.00 10.43 H new ATOM 0 HZ3 TRP A 63 -5.428 7.550 -2.775 1.00 35.31 H new ATOM 0 HH2 TRP A 63 -7.331 9.052 -2.379 1.00 40.22 H new ATOM 995 N LYS A 64 0.144 12.483 -2.538 1.00 74.11 N ATOM 996 CA LYS A 64 0.067 13.812 -3.203 1.00 31.14 C ATOM 997 C LYS A 64 -0.078 13.662 -4.737 1.00 22.25 C ATOM 998 O LYS A 64 -0.729 14.484 -5.401 1.00 40.41 O ATOM 999 CB LYS A 64 1.319 14.667 -2.887 1.00 73.32 C ATOM 1000 CG LYS A 64 1.568 14.967 -1.398 1.00 40.14 C ATOM 1001 CD LYS A 64 0.365 15.626 -0.688 1.00 33.24 C ATOM 1002 CE LYS A 64 0.746 16.204 0.686 1.00 43.43 C ATOM 1003 NZ LYS A 64 -0.424 16.780 1.405 1.00 14.34 N ATOM 0 H LYS A 64 0.964 12.360 -1.944 1.00 74.11 H new ATOM 0 HA LYS A 64 -0.816 14.317 -2.811 1.00 31.14 H new ATOM 0 HB2 LYS A 64 2.195 14.156 -3.286 1.00 73.32 H new ATOM 0 HB3 LYS A 64 1.232 15.614 -3.419 1.00 73.32 H new ATOM 0 HG2 LYS A 64 1.816 14.037 -0.886 1.00 40.14 H new ATOM 0 HG3 LYS A 64 2.435 15.622 -1.308 1.00 40.14 H new ATOM 0 HD2 LYS A 64 -0.034 16.422 -1.317 1.00 33.24 H new ATOM 0 HD3 LYS A 64 -0.429 14.890 -0.563 1.00 33.24 H new ATOM 0 HE2 LYS A 64 1.193 15.419 1.296 1.00 43.43 H new ATOM 0 HE3 LYS A 64 1.504 16.976 0.555 1.00 43.43 H new ATOM 0 HZ1 LYS A 64 -0.116 17.156 2.324 1.00 14.34 H new ATOM 0 HZ2 LYS A 64 -0.837 17.548 0.838 1.00 14.34 H new ATOM 0 HZ3 LYS A 64 -1.138 16.039 1.556 1.00 14.34 H new ATOM 1017 N LYS A 65 0.526 12.580 -5.264 1.00 43.11 N ATOM 1018 CA LYS A 65 0.492 12.239 -6.689 1.00 4.11 C ATOM 1019 C LYS A 65 -0.808 11.489 -7.038 1.00 24.31 C ATOM 1020 O LYS A 65 -1.491 11.870 -7.980 1.00 73.54 O ATOM 1021 CB LYS A 65 1.741 11.392 -7.064 1.00 50.13 C ATOM 1022 CG LYS A 65 3.094 12.051 -6.692 1.00 52.34 C ATOM 1023 CD LYS A 65 3.297 13.454 -7.318 1.00 34.24 C ATOM 1024 CE LYS A 65 3.374 13.428 -8.846 1.00 1.51 C ATOM 1025 NZ LYS A 65 3.425 14.796 -9.420 1.00 54.23 N ATOM 0 H LYS A 65 1.056 11.914 -4.702 1.00 43.11 H new ATOM 0 HA LYS A 65 0.512 13.160 -7.271 1.00 4.11 H new ATOM 0 HB2 LYS A 65 1.672 10.425 -6.566 1.00 50.13 H new ATOM 0 HB3 LYS A 65 1.727 11.200 -8.137 1.00 50.13 H new ATOM 0 HG2 LYS A 65 3.162 12.134 -5.607 1.00 52.34 H new ATOM 0 HG3 LYS A 65 3.906 11.399 -7.013 1.00 52.34 H new ATOM 0 HD2 LYS A 65 2.476 14.103 -7.013 1.00 34.24 H new ATOM 0 HD3 LYS A 65 4.213 13.892 -6.922 1.00 34.24 H new ATOM 0 HE2 LYS A 65 4.258 12.871 -9.156 1.00 1.51 H new ATOM 0 HE3 LYS A 65 2.508 12.899 -9.244 1.00 1.51 H new ATOM 0 HZ1 LYS A 65 3.477 14.736 -10.457 1.00 54.23 H new ATOM 0 HZ2 LYS A 65 2.569 15.320 -9.146 1.00 54.23 H new ATOM 0 HZ3 LYS A 65 4.265 15.292 -9.060 1.00 54.23 H new ATOM 1039 N VAL A 66 -1.151 10.448 -6.243 1.00 24.42 N ATOM 1040 CA VAL A 66 -2.327 9.565 -6.501 1.00 12.50 C ATOM 1041 C VAL A 66 -3.652 10.368 -6.461 1.00 71.44 C ATOM 1042 O VAL A 66 -4.491 10.238 -7.360 1.00 33.23 O ATOM 1043 CB VAL A 66 -2.381 8.367 -5.472 1.00 33.34 C ATOM 1044 CG1 VAL A 66 -3.636 7.470 -5.673 1.00 25.44 C ATOM 1045 CG2 VAL A 66 -1.083 7.527 -5.552 1.00 24.53 C ATOM 0 H VAL A 66 -0.626 10.192 -5.406 1.00 24.42 H new ATOM 0 HA VAL A 66 -2.207 9.151 -7.502 1.00 12.50 H new ATOM 0 HB VAL A 66 -2.460 8.800 -4.475 1.00 33.34 H new ATOM 0 HG11 VAL A 66 -3.626 6.662 -4.942 1.00 25.44 H new ATOM 0 HG12 VAL A 66 -4.537 8.069 -5.540 1.00 25.44 H new ATOM 0 HG13 VAL A 66 -3.626 7.050 -6.679 1.00 25.44 H new ATOM 0 HG21 VAL A 66 -1.136 6.706 -4.837 1.00 24.53 H new ATOM 0 HG22 VAL A 66 -0.971 7.125 -6.559 1.00 24.53 H new ATOM 0 HG23 VAL A 66 -0.226 8.158 -5.317 1.00 24.53 H new ATOM 1055 N TYR A 67 -3.791 11.200 -5.412 1.00 63.42 N ATOM 1056 CA TYR A 67 -4.920 12.144 -5.214 1.00 3.12 C ATOM 1057 C TYR A 67 -5.104 13.046 -6.445 1.00 24.14 C ATOM 1058 O TYR A 67 -6.230 13.247 -6.927 1.00 21.52 O ATOM 1059 CB TYR A 67 -4.632 13.014 -3.959 1.00 51.32 C ATOM 1060 CG TYR A 67 -5.748 13.992 -3.536 1.00 52.54 C ATOM 1061 CD1 TYR A 67 -6.966 13.512 -3.057 1.00 54.23 C ATOM 1062 CD2 TYR A 67 -5.578 15.385 -3.581 1.00 62.12 C ATOM 1063 CE1 TYR A 67 -7.968 14.366 -2.644 1.00 62.54 C ATOM 1064 CE2 TYR A 67 -6.587 16.242 -3.171 1.00 65.24 C ATOM 1065 CZ TYR A 67 -7.776 15.724 -2.701 1.00 73.22 C ATOM 1066 OH TYR A 67 -8.774 16.572 -2.274 1.00 41.11 O ATOM 0 H TYR A 67 -3.107 11.240 -4.656 1.00 63.42 H new ATOM 0 HA TYR A 67 -5.839 11.575 -5.073 1.00 3.12 H new ATOM 0 HB2 TYR A 67 -4.424 12.348 -3.121 1.00 51.32 H new ATOM 0 HB3 TYR A 67 -3.724 13.589 -4.142 1.00 51.32 H new ATOM 0 HD1 TYR A 67 -7.129 12.446 -3.008 1.00 54.23 H new ATOM 0 HD2 TYR A 67 -4.646 15.795 -3.941 1.00 62.12 H new ATOM 0 HE1 TYR A 67 -8.902 13.967 -2.277 1.00 62.54 H new ATOM 0 HE2 TYR A 67 -6.443 17.311 -3.219 1.00 65.24 H new ATOM 0 HH TYR A 67 -8.481 17.501 -2.379 1.00 41.11 H new ATOM 1076 N ASP A 68 -3.965 13.572 -6.936 1.00 71.10 N ATOM 1077 CA ASP A 68 -3.920 14.456 -8.112 1.00 63.32 C ATOM 1078 C ASP A 68 -4.359 13.696 -9.377 1.00 24.44 C ATOM 1079 O ASP A 68 -5.190 14.199 -10.137 1.00 55.41 O ATOM 1080 CB ASP A 68 -2.500 15.057 -8.299 1.00 14.44 C ATOM 1081 CG ASP A 68 -2.398 15.972 -9.541 1.00 64.41 C ATOM 1082 OD1 ASP A 68 -2.790 17.156 -9.458 1.00 2.02 O ATOM 1083 OD2 ASP A 68 -1.944 15.505 -10.613 1.00 35.30 O ATOM 0 H ASP A 68 -3.049 13.394 -6.525 1.00 71.10 H new ATOM 0 HA ASP A 68 -4.616 15.278 -7.946 1.00 63.32 H new ATOM 0 HB2 ASP A 68 -2.231 15.627 -7.410 1.00 14.44 H new ATOM 0 HB3 ASP A 68 -1.776 14.247 -8.389 1.00 14.44 H new ATOM 1088 N LEU A 69 -3.818 12.465 -9.560 1.00 73.44 N ATOM 1089 CA LEU A 69 -4.101 11.615 -10.742 1.00 32.42 C ATOM 1090 C LEU A 69 -5.584 11.243 -10.805 1.00 44.24 C ATOM 1091 O LEU A 69 -6.148 11.177 -11.887 1.00 73.02 O ATOM 1092 CB LEU A 69 -3.250 10.310 -10.729 1.00 13.52 C ATOM 1093 CG LEU A 69 -1.701 10.487 -10.798 1.00 72.24 C ATOM 1094 CD1 LEU A 69 -0.965 9.151 -10.536 1.00 22.43 C ATOM 1095 CD2 LEU A 69 -1.276 11.115 -12.145 1.00 2.24 C ATOM 0 H LEU A 69 -3.176 12.036 -8.894 1.00 73.44 H new ATOM 0 HA LEU A 69 -3.834 12.200 -11.622 1.00 32.42 H new ATOM 0 HB2 LEU A 69 -3.490 9.756 -9.822 1.00 13.52 H new ATOM 0 HB3 LEU A 69 -3.560 9.692 -11.572 1.00 13.52 H new ATOM 0 HG LEU A 69 -1.409 11.175 -10.005 1.00 72.24 H new ATOM 0 HD11 LEU A 69 0.112 9.312 -10.592 1.00 22.43 H new ATOM 0 HD12 LEU A 69 -1.226 8.780 -9.545 1.00 22.43 H new ATOM 0 HD13 LEU A 69 -1.262 8.419 -11.287 1.00 22.43 H new ATOM 0 HD21 LEU A 69 -0.192 11.228 -12.168 1.00 2.24 H new ATOM 0 HD22 LEU A 69 -1.591 10.468 -12.964 1.00 2.24 H new ATOM 0 HD23 LEU A 69 -1.745 12.093 -12.255 1.00 2.24 H new ATOM 1107 N LEU A 70 -6.188 10.999 -9.627 1.00 40.25 N ATOM 1108 CA LEU A 70 -7.621 10.690 -9.507 1.00 52.41 C ATOM 1109 C LEU A 70 -8.459 11.864 -10.053 1.00 65.31 C ATOM 1110 O LEU A 70 -9.196 11.701 -11.031 1.00 2.42 O ATOM 1111 CB LEU A 70 -7.989 10.372 -8.024 1.00 51.50 C ATOM 1112 CG LEU A 70 -7.449 9.025 -7.444 1.00 32.02 C ATOM 1113 CD1 LEU A 70 -7.753 8.901 -5.928 1.00 11.04 C ATOM 1114 CD2 LEU A 70 -8.004 7.815 -8.236 1.00 75.24 C ATOM 0 H LEU A 70 -5.695 11.011 -8.734 1.00 40.25 H new ATOM 0 HA LEU A 70 -7.846 9.804 -10.101 1.00 52.41 H new ATOM 0 HB2 LEU A 70 -7.619 11.185 -7.399 1.00 51.50 H new ATOM 0 HB3 LEU A 70 -9.075 10.370 -7.935 1.00 51.50 H new ATOM 0 HG LEU A 70 -6.365 9.024 -7.558 1.00 32.02 H new ATOM 0 HD11 LEU A 70 -7.365 7.953 -5.555 1.00 11.04 H new ATOM 0 HD12 LEU A 70 -7.278 9.723 -5.393 1.00 11.04 H new ATOM 0 HD13 LEU A 70 -8.831 8.939 -5.769 1.00 11.04 H new ATOM 0 HD21 LEU A 70 -7.612 6.891 -7.811 1.00 75.24 H new ATOM 0 HD22 LEU A 70 -9.092 7.809 -8.176 1.00 75.24 H new ATOM 0 HD23 LEU A 70 -7.699 7.892 -9.280 1.00 75.24 H new ATOM 1126 N ILE A 71 -8.276 13.055 -9.444 1.00 11.31 N ATOM 1127 CA ILE A 71 -9.037 14.291 -9.791 1.00 74.23 C ATOM 1128 C ILE A 71 -8.800 14.695 -11.271 1.00 43.41 C ATOM 1129 O ILE A 71 -9.702 15.211 -11.949 1.00 61.43 O ATOM 1130 CB ILE A 71 -8.644 15.484 -8.827 1.00 1.11 C ATOM 1131 CG1 ILE A 71 -8.867 15.087 -7.334 1.00 31.22 C ATOM 1132 CG2 ILE A 71 -9.425 16.784 -9.170 1.00 43.11 C ATOM 1133 CD1 ILE A 71 -8.419 16.133 -6.324 1.00 14.24 C ATOM 0 H ILE A 71 -7.597 13.195 -8.696 1.00 11.31 H new ATOM 0 HA ILE A 71 -10.097 14.075 -9.661 1.00 74.23 H new ATOM 0 HB ILE A 71 -7.584 15.688 -8.978 1.00 1.11 H new ATOM 0 HG12 ILE A 71 -9.927 14.884 -7.181 1.00 31.22 H new ATOM 0 HG13 ILE A 71 -8.333 14.158 -7.136 1.00 31.22 H new ATOM 0 HG21 ILE A 71 -9.127 17.579 -8.486 1.00 43.11 H new ATOM 0 HG22 ILE A 71 -9.201 17.084 -10.194 1.00 43.11 H new ATOM 0 HG23 ILE A 71 -10.495 16.602 -9.071 1.00 43.11 H new ATOM 0 HD11 ILE A 71 -8.613 15.770 -5.314 1.00 14.24 H new ATOM 0 HD12 ILE A 71 -7.352 16.321 -6.444 1.00 14.24 H new ATOM 0 HD13 ILE A 71 -8.971 17.058 -6.489 1.00 14.24 H new ATOM 1145 N LEU A 72 -7.577 14.431 -11.751 1.00 72.14 N ATOM 1146 CA LEU A 72 -7.147 14.731 -13.128 1.00 12.11 C ATOM 1147 C LEU A 72 -7.852 13.785 -14.108 1.00 34.54 C ATOM 1148 O LEU A 72 -8.452 14.229 -15.093 1.00 43.41 O ATOM 1149 CB LEU A 72 -5.585 14.602 -13.216 1.00 15.31 C ATOM 1150 CG LEU A 72 -4.862 14.889 -14.592 1.00 0.21 C ATOM 1151 CD1 LEU A 72 -4.836 13.651 -15.538 1.00 54.55 C ATOM 1152 CD2 LEU A 72 -5.454 16.140 -15.301 1.00 72.52 C ATOM 0 H LEU A 72 -6.846 13.997 -11.187 1.00 72.14 H new ATOM 0 HA LEU A 72 -7.422 15.750 -13.399 1.00 12.11 H new ATOM 0 HB2 LEU A 72 -5.158 15.277 -12.474 1.00 15.31 H new ATOM 0 HB3 LEU A 72 -5.322 13.588 -12.913 1.00 15.31 H new ATOM 0 HG LEU A 72 -3.822 15.106 -14.348 1.00 0.21 H new ATOM 0 HD11 LEU A 72 -4.326 13.912 -16.465 1.00 54.55 H new ATOM 0 HD12 LEU A 72 -4.306 12.832 -15.051 1.00 54.55 H new ATOM 0 HD13 LEU A 72 -5.857 13.341 -15.760 1.00 54.55 H new ATOM 0 HD21 LEU A 72 -4.932 16.305 -16.243 1.00 72.52 H new ATOM 0 HD22 LEU A 72 -6.514 15.979 -15.497 1.00 72.52 H new ATOM 0 HD23 LEU A 72 -5.332 17.013 -14.660 1.00 72.52 H new ATOM 1164 N HIS A 73 -7.801 12.484 -13.801 1.00 4.14 N ATOM 1165 CA HIS A 73 -8.155 11.424 -14.757 1.00 12.35 C ATOM 1166 C HIS A 73 -9.676 11.214 -14.763 1.00 25.43 C ATOM 1167 O HIS A 73 -10.343 11.559 -15.741 1.00 52.33 O ATOM 1168 CB HIS A 73 -7.407 10.119 -14.361 1.00 32.12 C ATOM 1169 CG HIS A 73 -7.110 9.155 -15.468 1.00 44.35 C ATOM 1170 ND1 HIS A 73 -8.033 8.270 -15.978 1.00 12.21 N ATOM 1171 CD2 HIS A 73 -5.956 8.918 -16.137 1.00 45.01 C ATOM 1172 CE1 HIS A 73 -7.461 7.532 -16.910 1.00 10.40 C ATOM 1173 NE2 HIS A 73 -6.205 7.908 -17.024 1.00 60.04 N ATOM 0 H HIS A 73 -7.514 12.135 -12.886 1.00 4.14 H new ATOM 0 HA HIS A 73 -7.854 11.709 -15.765 1.00 12.35 H new ATOM 0 HB2 HIS A 73 -6.465 10.396 -13.889 1.00 32.12 H new ATOM 0 HB3 HIS A 73 -8.001 9.601 -13.608 1.00 32.12 H new ATOM 0 HD1 HIS A 73 -9.006 8.196 -15.682 1.00 12.21 H new ATOM 0 HD2 HIS A 73 -5.016 9.431 -15.996 1.00 45.01 H new ATOM 0 HE1 HIS A 73 -7.942 6.752 -17.482 1.00 10.40 H new ATOM 1182 N ASP A 74 -10.215 10.738 -13.613 1.00 24.14 N ATOM 1183 CA ASP A 74 -11.651 10.407 -13.435 1.00 34.03 C ATOM 1184 C ASP A 74 -11.983 10.352 -11.930 1.00 44.34 C ATOM 1185 O ASP A 74 -12.046 9.264 -11.349 1.00 5.35 O ATOM 1186 CB ASP A 74 -12.048 9.042 -14.089 1.00 2.13 C ATOM 1187 CG ASP A 74 -12.017 9.021 -15.626 1.00 43.11 C ATOM 1188 OD1 ASP A 74 -12.943 9.572 -16.250 1.00 42.10 O ATOM 1189 OD2 ASP A 74 -11.067 8.450 -16.213 1.00 73.42 O ATOM 0 H ASP A 74 -9.659 10.571 -12.774 1.00 24.14 H new ATOM 0 HA ASP A 74 -12.221 11.190 -13.936 1.00 34.03 H new ATOM 0 HB2 ASP A 74 -11.375 8.269 -13.717 1.00 2.13 H new ATOM 0 HB3 ASP A 74 -13.052 8.777 -13.758 1.00 2.13 H new ATOM 1194 N PHE A 75 -12.126 11.534 -11.308 1.00 40.21 N ATOM 1195 CA PHE A 75 -12.573 11.688 -9.896 1.00 73.10 C ATOM 1196 C PHE A 75 -12.753 13.184 -9.581 1.00 65.40 C ATOM 1197 O PHE A 75 -12.524 14.052 -10.431 1.00 72.11 O ATOM 1198 CB PHE A 75 -11.580 11.027 -8.851 1.00 41.11 C ATOM 1199 CG PHE A 75 -12.134 9.835 -8.056 1.00 3.43 C ATOM 1200 CD1 PHE A 75 -13.099 10.015 -7.069 1.00 65.10 C ATOM 1201 CD2 PHE A 75 -11.668 8.537 -8.282 1.00 21.33 C ATOM 1202 CE1 PHE A 75 -13.582 8.941 -6.341 1.00 55.22 C ATOM 1203 CE2 PHE A 75 -12.156 7.465 -7.555 1.00 1.34 C ATOM 1204 CZ PHE A 75 -13.110 7.668 -6.584 1.00 30.12 C ATOM 0 H PHE A 75 -11.935 12.424 -11.768 1.00 40.21 H new ATOM 0 HA PHE A 75 -13.521 11.159 -9.797 1.00 73.10 H new ATOM 0 HB2 PHE A 75 -10.688 10.699 -9.385 1.00 41.11 H new ATOM 0 HB3 PHE A 75 -11.264 11.794 -8.144 1.00 41.11 H new ATOM 0 HD1 PHE A 75 -13.476 11.007 -6.868 1.00 65.10 H new ATOM 0 HD2 PHE A 75 -10.914 8.367 -9.037 1.00 21.33 H new ATOM 0 HE1 PHE A 75 -14.331 9.101 -5.580 1.00 55.22 H new ATOM 0 HE2 PHE A 75 -11.788 6.469 -7.750 1.00 1.34 H new ATOM 0 HZ PHE A 75 -13.488 6.832 -6.014 1.00 30.12 H new ATOM 1214 N THR A 76 -13.158 13.453 -8.335 1.00 54.41 N ATOM 1215 CA THR A 76 -13.298 14.809 -7.782 1.00 10.23 C ATOM 1216 C THR A 76 -12.884 14.758 -6.291 1.00 64.23 C ATOM 1217 O THR A 76 -13.024 13.690 -5.664 1.00 22.44 O ATOM 1218 CB THR A 76 -14.780 15.350 -7.946 1.00 5.11 C ATOM 1219 OG1 THR A 76 -14.850 16.756 -7.669 1.00 23.24 O ATOM 1220 CG2 THR A 76 -15.781 14.637 -7.030 1.00 62.41 C ATOM 0 H THR A 76 -13.403 12.721 -7.668 1.00 54.41 H new ATOM 0 HA THR A 76 -12.654 15.500 -8.327 1.00 10.23 H new ATOM 0 HB THR A 76 -15.050 15.149 -8.983 1.00 5.11 H new ATOM 0 HG1 THR A 76 -15.773 17.065 -7.779 1.00 23.24 H new ATOM 0 HG21 THR A 76 -16.777 15.051 -7.188 1.00 62.41 H new ATOM 0 HG22 THR A 76 -15.790 13.572 -7.260 1.00 62.41 H new ATOM 0 HG23 THR A 76 -15.489 14.781 -5.990 1.00 62.41 H new ATOM 1228 N PRO A 77 -12.363 15.887 -5.692 1.00 53.52 N ATOM 1229 CA PRO A 77 -11.979 15.939 -4.254 1.00 20.44 C ATOM 1230 C PRO A 77 -13.124 15.491 -3.335 1.00 44.31 C ATOM 1231 O PRO A 77 -12.889 14.737 -2.399 1.00 24.02 O ATOM 1232 CB PRO A 77 -11.602 17.436 -4.021 1.00 73.50 C ATOM 1233 CG PRO A 77 -12.186 18.166 -5.196 1.00 61.24 C ATOM 1234 CD PRO A 77 -12.085 17.197 -6.345 1.00 34.02 C ATOM 0 HA PRO A 77 -11.159 15.259 -4.020 1.00 20.44 H new ATOM 0 HB2 PRO A 77 -12.013 17.806 -3.082 1.00 73.50 H new ATOM 0 HB3 PRO A 77 -10.521 17.568 -3.970 1.00 73.50 H new ATOM 0 HG2 PRO A 77 -13.222 18.450 -5.009 1.00 61.24 H new ATOM 0 HG3 PRO A 77 -11.636 19.084 -5.404 1.00 61.24 H new ATOM 0 HD2 PRO A 77 -12.809 17.421 -7.129 1.00 34.02 H new ATOM 0 HD3 PRO A 77 -11.098 17.218 -6.807 1.00 34.02 H new ATOM 1242 N GLU A 78 -14.364 15.885 -3.702 1.00 12.34 N ATOM 1243 CA GLU A 78 -15.571 15.691 -2.876 1.00 42.43 C ATOM 1244 C GLU A 78 -15.878 14.203 -2.597 1.00 73.13 C ATOM 1245 O GLU A 78 -16.362 13.866 -1.511 1.00 51.05 O ATOM 1246 CB GLU A 78 -16.791 16.376 -3.544 1.00 61.11 C ATOM 1247 CG GLU A 78 -16.613 17.891 -3.773 1.00 42.43 C ATOM 1248 CD GLU A 78 -17.890 18.569 -4.294 1.00 60.45 C ATOM 1249 OE1 GLU A 78 -18.207 18.416 -5.493 1.00 50.22 O ATOM 1250 OE2 GLU A 78 -18.580 19.253 -3.508 1.00 51.31 O ATOM 0 H GLU A 78 -14.554 16.351 -4.589 1.00 12.34 H new ATOM 0 HA GLU A 78 -15.371 16.156 -1.910 1.00 42.43 H new ATOM 0 HB2 GLU A 78 -16.985 15.895 -4.502 1.00 61.11 H new ATOM 0 HB3 GLU A 78 -17.671 16.214 -2.922 1.00 61.11 H new ATOM 0 HG2 GLU A 78 -16.313 18.362 -2.837 1.00 42.43 H new ATOM 0 HG3 GLU A 78 -15.804 18.054 -4.486 1.00 42.43 H new ATOM 1257 N GLU A 79 -15.596 13.328 -3.576 1.00 11.23 N ATOM 1258 CA GLU A 79 -15.804 11.871 -3.424 1.00 34.02 C ATOM 1259 C GLU A 79 -14.644 11.218 -2.650 1.00 24.31 C ATOM 1260 O GLU A 79 -14.885 10.403 -1.754 1.00 55.42 O ATOM 1261 CB GLU A 79 -15.984 11.191 -4.806 1.00 2.22 C ATOM 1262 CG GLU A 79 -17.239 11.638 -5.581 1.00 52.51 C ATOM 1263 CD GLU A 79 -18.556 11.342 -4.838 1.00 2.01 C ATOM 1264 OE1 GLU A 79 -19.072 10.206 -4.953 1.00 34.44 O ATOM 1265 OE2 GLU A 79 -19.082 12.236 -4.135 1.00 45.41 O ATOM 0 H GLU A 79 -15.222 13.601 -4.485 1.00 11.23 H new ATOM 0 HA GLU A 79 -16.718 11.728 -2.847 1.00 34.02 H new ATOM 0 HB2 GLU A 79 -15.104 11.397 -5.415 1.00 2.22 H new ATOM 0 HB3 GLU A 79 -16.027 10.111 -4.662 1.00 2.22 H new ATOM 0 HG2 GLU A 79 -17.174 12.708 -5.777 1.00 52.51 H new ATOM 0 HG3 GLU A 79 -17.256 11.137 -6.549 1.00 52.51 H new ATOM 1272 N ILE A 80 -13.400 11.611 -2.994 1.00 15.02 N ATOM 1273 CA ILE A 80 -12.165 11.029 -2.416 1.00 34.51 C ATOM 1274 C ILE A 80 -12.121 11.258 -0.890 1.00 70.52 C ATOM 1275 O ILE A 80 -11.934 10.309 -0.108 1.00 4.53 O ATOM 1276 CB ILE A 80 -10.871 11.639 -3.075 1.00 64.44 C ATOM 1277 CG1 ILE A 80 -10.882 11.464 -4.625 1.00 63.53 C ATOM 1278 CG2 ILE A 80 -9.593 11.017 -2.463 1.00 53.21 C ATOM 1279 CD1 ILE A 80 -9.742 12.159 -5.348 1.00 52.24 C ATOM 0 H ILE A 80 -13.220 12.342 -3.682 1.00 15.02 H new ATOM 0 HA ILE A 80 -12.185 9.959 -2.624 1.00 34.51 H new ATOM 0 HB ILE A 80 -10.868 12.708 -2.862 1.00 64.44 H new ATOM 0 HG12 ILE A 80 -10.847 10.400 -4.857 1.00 63.53 H new ATOM 0 HG13 ILE A 80 -11.827 11.844 -5.014 1.00 63.53 H new ATOM 0 HG21 ILE A 80 -8.713 11.455 -2.935 1.00 53.21 H new ATOM 0 HG22 ILE A 80 -9.568 11.217 -1.392 1.00 53.21 H new ATOM 0 HG23 ILE A 80 -9.596 9.940 -2.631 1.00 53.21 H new ATOM 0 HD11 ILE A 80 -9.830 11.983 -6.420 1.00 52.24 H new ATOM 0 HD12 ILE A 80 -9.786 13.230 -5.151 1.00 52.24 H new ATOM 0 HD13 ILE A 80 -8.791 11.763 -4.993 1.00 52.24 H new ATOM 1291 N LYS A 81 -12.315 12.531 -0.494 1.00 10.14 N ATOM 1292 CA LYS A 81 -12.341 12.952 0.922 1.00 33.43 C ATOM 1293 C LYS A 81 -13.474 12.249 1.682 1.00 14.11 C ATOM 1294 O LYS A 81 -13.327 11.931 2.857 1.00 52.34 O ATOM 1295 CB LYS A 81 -12.484 14.498 1.041 1.00 21.20 C ATOM 1296 CG LYS A 81 -13.817 15.071 0.498 1.00 45.21 C ATOM 1297 CD LYS A 81 -13.844 16.623 0.371 1.00 60.04 C ATOM 1298 CE LYS A 81 -14.239 17.357 1.672 1.00 74.21 C ATOM 1299 NZ LYS A 81 -13.360 17.045 2.829 1.00 41.23 N ATOM 0 H LYS A 81 -12.459 13.300 -1.149 1.00 10.14 H new ATOM 0 HA LYS A 81 -11.393 12.660 1.373 1.00 33.43 H new ATOM 0 HB2 LYS A 81 -12.385 14.778 2.090 1.00 21.20 H new ATOM 0 HB3 LYS A 81 -11.658 14.967 0.506 1.00 21.20 H new ATOM 0 HG2 LYS A 81 -14.014 14.635 -0.481 1.00 45.21 H new ATOM 0 HG3 LYS A 81 -14.628 14.758 1.156 1.00 45.21 H new ATOM 0 HD2 LYS A 81 -12.859 16.968 0.057 1.00 60.04 H new ATOM 0 HD3 LYS A 81 -14.545 16.900 -0.417 1.00 60.04 H new ATOM 0 HE2 LYS A 81 -14.219 18.432 1.492 1.00 74.21 H new ATOM 0 HE3 LYS A 81 -15.266 17.096 1.928 1.00 74.21 H new ATOM 0 HZ1 LYS A 81 -13.414 17.817 3.524 1.00 41.23 H new ATOM 0 HZ2 LYS A 81 -13.672 16.157 3.272 1.00 41.23 H new ATOM 0 HZ3 LYS A 81 -12.378 16.942 2.501 1.00 41.23 H new ATOM 1313 N SER A 82 -14.586 11.974 0.972 1.00 34.14 N ATOM 1314 CA SER A 82 -15.774 11.323 1.543 1.00 41.33 C ATOM 1315 C SER A 82 -15.494 9.843 1.884 1.00 33.50 C ATOM 1316 O SER A 82 -16.171 9.268 2.739 1.00 64.54 O ATOM 1317 CB SER A 82 -16.952 11.453 0.555 1.00 51.34 C ATOM 1318 OG SER A 82 -18.164 10.937 1.080 1.00 23.34 O ATOM 0 H SER A 82 -14.682 12.200 -0.018 1.00 34.14 H new ATOM 0 HA SER A 82 -16.035 11.821 2.477 1.00 41.33 H new ATOM 0 HB2 SER A 82 -17.090 12.503 0.296 1.00 51.34 H new ATOM 0 HB3 SER A 82 -16.707 10.927 -0.368 1.00 51.34 H new ATOM 0 HG SER A 82 -18.879 11.044 0.418 1.00 23.34 H new ATOM 1324 N PHE A 83 -14.497 9.231 1.207 1.00 4.25 N ATOM 1325 CA PHE A 83 -14.021 7.874 1.549 1.00 2.13 C ATOM 1326 C PHE A 83 -13.232 7.882 2.866 1.00 33.14 C ATOM 1327 O PHE A 83 -13.256 6.899 3.586 1.00 41.41 O ATOM 1328 CB PHE A 83 -13.167 7.257 0.414 1.00 65.02 C ATOM 1329 CG PHE A 83 -13.969 6.909 -0.840 1.00 70.34 C ATOM 1330 CD1 PHE A 83 -14.949 5.914 -0.798 1.00 65.55 C ATOM 1331 CD2 PHE A 83 -13.764 7.571 -2.049 1.00 52.10 C ATOM 1332 CE1 PHE A 83 -15.687 5.595 -1.922 1.00 61.33 C ATOM 1333 CE2 PHE A 83 -14.506 7.254 -3.171 1.00 33.24 C ATOM 1334 CZ PHE A 83 -15.467 6.265 -3.107 1.00 72.52 C ATOM 0 H PHE A 83 -14.007 9.657 0.420 1.00 4.25 H new ATOM 0 HA PHE A 83 -14.905 7.250 1.676 1.00 2.13 H new ATOM 0 HB2 PHE A 83 -12.376 7.957 0.146 1.00 65.02 H new ATOM 0 HB3 PHE A 83 -12.682 6.355 0.786 1.00 65.02 H new ATOM 0 HD1 PHE A 83 -15.132 5.386 0.126 1.00 65.55 H new ATOM 0 HD2 PHE A 83 -13.013 8.345 -2.110 1.00 52.10 H new ATOM 0 HE1 PHE A 83 -16.437 4.820 -1.872 1.00 61.33 H new ATOM 0 HE2 PHE A 83 -14.334 7.780 -4.098 1.00 33.24 H new ATOM 0 HZ PHE A 83 -16.046 6.016 -3.984 1.00 72.52 H new ATOM 1344 N PHE A 84 -12.546 8.994 3.169 1.00 53.43 N ATOM 1345 CA PHE A 84 -11.831 9.173 4.459 1.00 23.13 C ATOM 1346 C PHE A 84 -12.833 9.495 5.583 1.00 54.33 C ATOM 1347 O PHE A 84 -12.721 8.991 6.705 1.00 54.22 O ATOM 1348 CB PHE A 84 -10.783 10.303 4.352 1.00 14.30 C ATOM 1349 CG PHE A 84 -9.647 9.994 3.383 1.00 42.44 C ATOM 1350 CD1 PHE A 84 -8.579 9.191 3.779 1.00 45.31 C ATOM 1351 CD2 PHE A 84 -9.646 10.489 2.081 1.00 62.43 C ATOM 1352 CE1 PHE A 84 -7.549 8.899 2.909 1.00 52.24 C ATOM 1353 CE2 PHE A 84 -8.616 10.198 1.212 1.00 75.30 C ATOM 1354 CZ PHE A 84 -7.567 9.403 1.627 1.00 35.13 C ATOM 0 H PHE A 84 -12.466 9.792 2.539 1.00 53.43 H new ATOM 0 HA PHE A 84 -11.316 8.242 4.695 1.00 23.13 H new ATOM 0 HB2 PHE A 84 -11.281 11.219 4.035 1.00 14.30 H new ATOM 0 HB3 PHE A 84 -10.364 10.493 5.340 1.00 14.30 H new ATOM 0 HD1 PHE A 84 -8.557 8.791 4.782 1.00 45.31 H new ATOM 0 HD2 PHE A 84 -10.464 11.110 1.747 1.00 62.43 H new ATOM 0 HE1 PHE A 84 -6.729 8.275 3.233 1.00 52.24 H new ATOM 0 HE2 PHE A 84 -8.630 10.592 0.207 1.00 75.30 H new ATOM 0 HZ PHE A 84 -6.760 9.176 0.946 1.00 35.13 H new ATOM 1364 N GLU A 85 -13.828 10.324 5.236 1.00 73.41 N ATOM 1365 CA GLU A 85 -14.878 10.805 6.158 1.00 65.11 C ATOM 1366 C GLU A 85 -16.094 9.857 6.144 1.00 33.12 C ATOM 1367 O GLU A 85 -17.194 10.222 6.582 1.00 41.24 O ATOM 1368 CB GLU A 85 -15.285 12.242 5.733 1.00 45.22 C ATOM 1369 CG GLU A 85 -14.098 13.222 5.646 1.00 30.42 C ATOM 1370 CD GLU A 85 -14.481 14.613 5.126 1.00 5.10 C ATOM 1371 OE1 GLU A 85 -14.749 14.744 3.915 1.00 72.14 O ATOM 1372 OE2 GLU A 85 -14.494 15.586 5.919 1.00 10.11 O ATOM 0 H GLU A 85 -13.931 10.689 4.289 1.00 73.41 H new ATOM 0 HA GLU A 85 -14.495 10.822 7.178 1.00 65.11 H new ATOM 0 HB2 GLU A 85 -15.780 12.198 4.763 1.00 45.22 H new ATOM 0 HB3 GLU A 85 -16.013 12.630 6.445 1.00 45.22 H new ATOM 0 HG2 GLU A 85 -13.650 13.324 6.634 1.00 30.42 H new ATOM 0 HG3 GLU A 85 -13.335 12.797 4.993 1.00 30.42 H new ATOM 1444 N ARG A 90 -17.251 1.623 6.330 1.00 64.54 N ATOM 1445 CA ARG A 90 -15.802 1.640 6.619 1.00 15.41 C ATOM 1446 C ARG A 90 -15.025 2.243 5.416 1.00 24.35 C ATOM 1447 O ARG A 90 -15.303 1.878 4.269 1.00 52.43 O ATOM 1448 CB ARG A 90 -15.302 0.214 6.993 1.00 12.13 C ATOM 1449 CG ARG A 90 -13.757 0.064 7.092 1.00 55.54 C ATOM 1450 CD ARG A 90 -13.318 -1.063 8.034 1.00 44.31 C ATOM 1451 NE ARG A 90 -13.656 -0.745 9.438 1.00 62.12 N ATOM 1452 CZ ARG A 90 -12.867 -0.977 10.495 1.00 5.34 C ATOM 1453 NH1 ARG A 90 -11.680 -1.543 10.342 1.00 60.03 N ATOM 1454 NH2 ARG A 90 -13.259 -0.605 11.701 1.00 42.40 N ATOM 0 HA ARG A 90 -15.613 2.278 7.482 1.00 15.41 H new ATOM 0 HB2 ARG A 90 -15.741 -0.070 7.949 1.00 12.13 H new ATOM 0 HB3 ARG A 90 -15.674 -0.491 6.250 1.00 12.13 H new ATOM 0 HG2 ARG A 90 -13.352 -0.124 6.098 1.00 55.54 H new ATOM 0 HG3 ARG A 90 -13.329 1.005 7.437 1.00 55.54 H new ATOM 0 HD2 ARG A 90 -13.803 -1.995 7.742 1.00 44.31 H new ATOM 0 HD3 ARG A 90 -12.243 -1.220 7.942 1.00 44.31 H new ATOM 0 HE ARG A 90 -14.563 -0.314 9.616 1.00 62.12 H new ATOM 0 HH11 ARG A 90 -11.357 -1.808 9.411 1.00 60.03 H new ATOM 0 HH12 ARG A 90 -11.088 -1.714 11.155 1.00 60.03 H new ATOM 0 HH21 ARG A 90 -14.160 -0.143 11.824 1.00 42.40 H new ATOM 0 HH22 ARG A 90 -12.661 -0.780 12.508 1.00 42.40 H new ATOM 1468 N PRO A 91 -14.075 3.222 5.673 1.00 25.20 N ATOM 1469 CA PRO A 91 -13.278 3.922 4.618 1.00 72.12 C ATOM 1470 C PRO A 91 -12.564 2.999 3.603 1.00 53.01 C ATOM 1471 O PRO A 91 -11.827 2.097 3.998 1.00 42.11 O ATOM 1472 CB PRO A 91 -12.231 4.719 5.454 1.00 22.45 C ATOM 1473 CG PRO A 91 -12.922 4.997 6.745 1.00 70.21 C ATOM 1474 CD PRO A 91 -13.730 3.757 7.032 1.00 54.22 C ATOM 0 HA PRO A 91 -13.930 4.522 3.983 1.00 72.12 H new ATOM 0 HB2 PRO A 91 -11.321 4.140 5.607 1.00 22.45 H new ATOM 0 HB3 PRO A 91 -11.941 5.642 4.952 1.00 22.45 H new ATOM 0 HG2 PRO A 91 -12.205 5.194 7.542 1.00 70.21 H new ATOM 0 HG3 PRO A 91 -13.562 5.876 6.668 1.00 70.21 H new ATOM 0 HD2 PRO A 91 -13.157 3.033 7.612 1.00 54.22 H new ATOM 0 HD3 PRO A 91 -14.626 3.989 7.608 1.00 54.22 H new ATOM 1482 N VAL A 92 -12.798 3.239 2.297 1.00 3.52 N ATOM 1483 CA VAL A 92 -12.053 2.571 1.205 1.00 35.20 C ATOM 1484 C VAL A 92 -10.621 3.150 1.149 1.00 53.20 C ATOM 1485 O VAL A 92 -9.632 2.424 1.006 1.00 51.22 O ATOM 1486 CB VAL A 92 -12.778 2.765 -0.185 1.00 73.11 C ATOM 1487 CG1 VAL A 92 -12.039 2.029 -1.332 1.00 33.44 C ATOM 1488 CG2 VAL A 92 -14.266 2.335 -0.101 1.00 11.50 C ATOM 0 H VAL A 92 -13.504 3.897 1.968 1.00 3.52 H new ATOM 0 HA VAL A 92 -12.013 1.501 1.407 1.00 35.20 H new ATOM 0 HB VAL A 92 -12.749 3.829 -0.421 1.00 73.11 H new ATOM 0 HG11 VAL A 92 -12.572 2.189 -2.270 1.00 33.44 H new ATOM 0 HG12 VAL A 92 -11.025 2.418 -1.420 1.00 33.44 H new ATOM 0 HG13 VAL A 92 -12.001 0.962 -1.114 1.00 33.44 H new ATOM 0 HG21 VAL A 92 -14.742 2.479 -1.071 1.00 11.50 H new ATOM 0 HG22 VAL A 92 -14.326 1.284 0.180 1.00 11.50 H new ATOM 0 HG23 VAL A 92 -14.778 2.940 0.647 1.00 11.50 H new ATOM 1498 N PHE A 93 -10.545 4.485 1.261 1.00 61.25 N ATOM 1499 CA PHE A 93 -9.280 5.215 1.394 1.00 1.44 C ATOM 1500 C PHE A 93 -9.077 5.540 2.881 1.00 11.23 C ATOM 1501 O PHE A 93 -9.873 6.283 3.467 1.00 74.22 O ATOM 1502 CB PHE A 93 -9.303 6.516 0.546 1.00 11.45 C ATOM 1503 CG PHE A 93 -9.569 6.347 -0.960 1.00 73.51 C ATOM 1504 CD1 PHE A 93 -9.269 5.161 -1.638 1.00 43.43 C ATOM 1505 CD2 PHE A 93 -10.111 7.400 -1.703 1.00 34.32 C ATOM 1506 CE1 PHE A 93 -9.506 5.036 -2.997 1.00 50.22 C ATOM 1507 CE2 PHE A 93 -10.348 7.270 -3.063 1.00 42.23 C ATOM 1508 CZ PHE A 93 -10.046 6.090 -3.709 1.00 24.03 C ATOM 0 H PHE A 93 -11.366 5.090 1.262 1.00 61.25 H new ATOM 0 HA PHE A 93 -8.455 4.604 1.027 1.00 1.44 H new ATOM 0 HB2 PHE A 93 -10.067 7.177 0.956 1.00 11.45 H new ATOM 0 HB3 PHE A 93 -8.345 7.021 0.669 1.00 11.45 H new ATOM 0 HD1 PHE A 93 -8.846 4.330 -1.093 1.00 43.43 H new ATOM 0 HD2 PHE A 93 -10.349 8.331 -1.209 1.00 34.32 H new ATOM 0 HE1 PHE A 93 -9.268 4.111 -3.502 1.00 50.22 H new ATOM 0 HE2 PHE A 93 -10.770 8.095 -3.618 1.00 42.23 H new ATOM 0 HZ PHE A 93 -10.231 5.990 -4.768 1.00 24.03 H new ATOM 1518 N VAL A 94 -8.041 4.948 3.489 1.00 14.31 N ATOM 1519 CA VAL A 94 -7.727 5.109 4.928 1.00 2.00 C ATOM 1520 C VAL A 94 -6.390 5.870 5.084 1.00 73.33 C ATOM 1521 O VAL A 94 -5.556 5.839 4.177 1.00 14.31 O ATOM 1522 CB VAL A 94 -7.642 3.699 5.641 1.00 70.30 C ATOM 1523 CG1 VAL A 94 -7.473 3.845 7.168 1.00 2.43 C ATOM 1524 CG2 VAL A 94 -8.874 2.822 5.312 1.00 65.44 C ATOM 0 H VAL A 94 -7.388 4.337 2.998 1.00 14.31 H new ATOM 0 HA VAL A 94 -8.524 5.682 5.402 1.00 2.00 H new ATOM 0 HB VAL A 94 -6.756 3.198 5.251 1.00 70.30 H new ATOM 0 HG11 VAL A 94 -7.418 2.857 7.624 1.00 2.43 H new ATOM 0 HG12 VAL A 94 -6.556 4.395 7.382 1.00 2.43 H new ATOM 0 HG13 VAL A 94 -8.325 4.387 7.578 1.00 2.43 H new ATOM 0 HG21 VAL A 94 -8.782 1.861 5.818 1.00 65.44 H new ATOM 0 HG22 VAL A 94 -9.780 3.325 5.650 1.00 65.44 H new ATOM 0 HG23 VAL A 94 -8.929 2.661 4.235 1.00 65.44 H new ATOM 1534 N LYS A 95 -6.205 6.557 6.235 1.00 73.05 N ATOM 1535 CA LYS A 95 -4.965 7.295 6.555 1.00 2.44 C ATOM 1536 C LYS A 95 -4.729 7.364 8.076 1.00 42.31 C ATOM 1537 O LYS A 95 -5.581 6.960 8.881 1.00 40.45 O ATOM 1538 CB LYS A 95 -5.011 8.732 5.971 1.00 41.24 C ATOM 1539 CG LYS A 95 -6.186 9.599 6.486 1.00 10.02 C ATOM 1540 CD LYS A 95 -6.128 11.061 5.985 1.00 41.24 C ATOM 1541 CE LYS A 95 -4.962 11.858 6.593 1.00 30.15 C ATOM 1542 NZ LYS A 95 -4.855 13.208 5.987 1.00 63.20 N ATOM 0 H LYS A 95 -6.913 6.614 6.967 1.00 73.05 H new ATOM 0 HA LYS A 95 -4.138 6.750 6.099 1.00 2.44 H new ATOM 0 HB2 LYS A 95 -4.074 9.236 6.207 1.00 41.24 H new ATOM 0 HB3 LYS A 95 -5.073 8.667 4.885 1.00 41.24 H new ATOM 0 HG2 LYS A 95 -7.127 9.150 6.169 1.00 10.02 H new ATOM 0 HG3 LYS A 95 -6.182 9.595 7.576 1.00 10.02 H new ATOM 0 HD2 LYS A 95 -6.036 11.064 4.899 1.00 41.24 H new ATOM 0 HD3 LYS A 95 -7.067 11.560 6.226 1.00 41.24 H new ATOM 0 HE2 LYS A 95 -5.105 11.951 7.670 1.00 30.15 H new ATOM 0 HE3 LYS A 95 -4.029 11.314 6.441 1.00 30.15 H new ATOM 0 HZ1 LYS A 95 -4.341 13.839 6.634 1.00 63.20 H new ATOM 0 HZ2 LYS A 95 -4.341 13.144 5.085 1.00 63.20 H new ATOM 0 HZ3 LYS A 95 -5.808 13.589 5.817 1.00 63.20 H new ATOM 1556 N GLY A 96 -3.542 7.885 8.435 1.00 1.24 N ATOM 1557 CA GLY A 96 -3.143 8.139 9.820 1.00 42.52 C ATOM 1558 C GLY A 96 -1.710 7.688 10.050 1.00 31.32 C ATOM 1559 O GLY A 96 -0.849 7.900 9.187 1.00 73.24 O ATOM 0 H GLY A 96 -2.826 8.143 7.756 1.00 1.24 H new ATOM 0 HA2 GLY A 96 -3.237 9.202 10.043 1.00 42.52 H new ATOM 0 HA3 GLY A 96 -3.811 7.611 10.500 1.00 42.52 H new ATOM 1563 N SER A 97 -1.440 7.081 11.215 1.00 45.11 N ATOM 1564 CA SER A 97 -0.179 6.358 11.463 1.00 72.01 C ATOM 1565 C SER A 97 -0.251 4.965 10.797 1.00 34.40 C ATOM 1566 O SER A 97 -1.316 4.579 10.295 1.00 13.25 O ATOM 1567 CB SER A 97 0.061 6.246 12.984 1.00 20.14 C ATOM 1568 OG SER A 97 0.096 7.530 13.591 1.00 5.11 O ATOM 0 H SER A 97 -2.082 7.076 12.007 1.00 45.11 H new ATOM 0 HA SER A 97 0.660 6.902 11.029 1.00 72.01 H new ATOM 0 HB2 SER A 97 -0.729 5.647 13.437 1.00 20.14 H new ATOM 0 HB3 SER A 97 1.001 5.726 13.170 1.00 20.14 H new ATOM 0 HG SER A 97 0.247 7.432 14.554 1.00 5.11 H new ATOM 1574 N LEU A 98 0.871 4.220 10.799 1.00 33.32 N ATOM 1575 CA LEU A 98 0.947 2.870 10.193 1.00 73.13 C ATOM 1576 C LEU A 98 -0.061 1.913 10.873 1.00 63.20 C ATOM 1577 O LEU A 98 -0.814 1.195 10.199 1.00 74.13 O ATOM 1578 CB LEU A 98 2.397 2.305 10.307 1.00 33.14 C ATOM 1579 CG LEU A 98 2.627 0.887 9.679 1.00 65.11 C ATOM 1580 CD1 LEU A 98 2.327 0.874 8.156 1.00 63.41 C ATOM 1581 CD2 LEU A 98 4.047 0.351 9.983 1.00 73.12 C ATOM 0 H LEU A 98 1.747 4.532 11.217 1.00 33.32 H new ATOM 0 HA LEU A 98 0.687 2.950 9.137 1.00 73.13 H new ATOM 0 HB2 LEU A 98 3.079 3.008 9.830 1.00 33.14 H new ATOM 0 HB3 LEU A 98 2.669 2.263 11.362 1.00 33.14 H new ATOM 0 HG LEU A 98 1.916 0.210 10.152 1.00 65.11 H new ATOM 0 HD11 LEU A 98 2.499 -0.127 7.760 1.00 63.41 H new ATOM 0 HD12 LEU A 98 1.288 1.158 7.987 1.00 63.41 H new ATOM 0 HD13 LEU A 98 2.983 1.582 7.650 1.00 63.41 H new ATOM 0 HD21 LEU A 98 4.169 -0.634 9.532 1.00 73.12 H new ATOM 0 HD22 LEU A 98 4.790 1.034 9.570 1.00 73.12 H new ATOM 0 HD23 LEU A 98 4.184 0.275 11.062 1.00 73.12 H new ATOM 1593 N GLU A 99 -0.076 1.958 12.216 1.00 55.10 N ATOM 1594 CA GLU A 99 -0.940 1.105 13.054 1.00 40.42 C ATOM 1595 C GLU A 99 -2.393 1.607 13.049 1.00 52.34 C ATOM 1596 O GLU A 99 -3.323 0.806 13.001 1.00 70.45 O ATOM 1597 CB GLU A 99 -0.390 1.044 14.502 1.00 22.45 C ATOM 1598 CG GLU A 99 1.078 0.580 14.587 1.00 25.40 C ATOM 1599 CD GLU A 99 1.595 0.401 16.023 1.00 35.44 C ATOM 1600 OE1 GLU A 99 1.443 1.336 16.842 1.00 14.50 O ATOM 1601 OE2 GLU A 99 2.179 -0.662 16.337 1.00 41.23 O ATOM 0 H GLU A 99 0.514 2.591 12.755 1.00 55.10 H new ATOM 0 HA GLU A 99 -0.935 0.100 12.633 1.00 40.42 H new ATOM 0 HB2 GLU A 99 -0.477 2.031 14.956 1.00 22.45 H new ATOM 0 HB3 GLU A 99 -1.011 0.367 15.089 1.00 22.45 H new ATOM 0 HG2 GLU A 99 1.181 -0.365 14.054 1.00 25.40 H new ATOM 0 HG3 GLU A 99 1.708 1.306 14.073 1.00 25.40 H new ATOM 1608 N SER A 100 -2.569 2.937 13.071 1.00 52.22 N ATOM 1609 CA SER A 100 -3.901 3.578 13.098 1.00 53.21 C ATOM 1610 C SER A 100 -4.702 3.252 11.816 1.00 41.22 C ATOM 1611 O SER A 100 -5.862 2.811 11.873 1.00 21.25 O ATOM 1612 CB SER A 100 -3.723 5.100 13.233 1.00 42.53 C ATOM 1613 OG SER A 100 -2.931 5.442 14.362 1.00 70.43 O ATOM 0 H SER A 100 -1.795 3.602 13.071 1.00 52.22 H new ATOM 0 HA SER A 100 -4.460 3.191 13.950 1.00 53.21 H new ATOM 0 HB2 SER A 100 -3.256 5.493 12.330 1.00 42.53 H new ATOM 0 HB3 SER A 100 -4.701 5.574 13.318 1.00 42.53 H new ATOM 0 HG SER A 100 -2.839 6.416 14.414 1.00 70.43 H new ATOM 1619 N ALA A 101 -4.040 3.456 10.664 1.00 42.44 N ATOM 1620 CA ALA A 101 -4.607 3.188 9.333 1.00 74.31 C ATOM 1621 C ALA A 101 -4.886 1.682 9.150 1.00 43.22 C ATOM 1622 O ALA A 101 -5.778 1.302 8.394 1.00 63.23 O ATOM 1623 CB ALA A 101 -3.650 3.712 8.250 1.00 71.41 C ATOM 0 H ALA A 101 -3.086 3.815 10.632 1.00 42.44 H new ATOM 0 HA ALA A 101 -5.559 3.710 9.239 1.00 74.31 H new ATOM 0 HB1 ALA A 101 -4.071 3.513 7.265 1.00 71.41 H new ATOM 0 HB2 ALA A 101 -3.512 4.786 8.375 1.00 71.41 H new ATOM 0 HB3 ALA A 101 -2.687 3.209 8.341 1.00 71.41 H new ATOM 1629 N ALA A 102 -4.114 0.850 9.871 1.00 61.12 N ATOM 1630 CA ALA A 102 -4.264 -0.613 9.872 1.00 43.21 C ATOM 1631 C ALA A 102 -5.593 -1.034 10.521 1.00 30.43 C ATOM 1632 O ALA A 102 -6.331 -1.866 9.978 1.00 12.35 O ATOM 1633 CB ALA A 102 -3.090 -1.244 10.622 1.00 32.45 C ATOM 0 H ALA A 102 -3.361 1.179 10.475 1.00 61.12 H new ATOM 0 HA ALA A 102 -4.270 -0.962 8.839 1.00 43.21 H new ATOM 0 HB1 ALA A 102 -3.200 -2.328 10.624 1.00 32.45 H new ATOM 0 HB2 ALA A 102 -2.156 -0.975 10.129 1.00 32.45 H new ATOM 0 HB3 ALA A 102 -3.076 -0.879 11.649 1.00 32.45 H new ATOM 1639 N GLU A 103 -5.876 -0.425 11.691 1.00 54.43 N ATOM 1640 CA GLU A 103 -7.090 -0.702 12.490 1.00 55.34 C ATOM 1641 C GLU A 103 -8.362 -0.274 11.736 1.00 51.13 C ATOM 1642 O GLU A 103 -9.338 -1.028 11.676 1.00 62.21 O ATOM 1643 CB GLU A 103 -7.003 0.040 13.848 1.00 72.32 C ATOM 1644 CG GLU A 103 -5.739 -0.277 14.665 1.00 4.32 C ATOM 1645 CD GLU A 103 -5.601 0.567 15.937 1.00 64.33 C ATOM 1646 OE1 GLU A 103 -5.352 1.784 15.817 1.00 1.22 O ATOM 1647 OE2 GLU A 103 -5.749 0.030 17.060 1.00 43.55 O ATOM 0 H GLU A 103 -5.266 0.277 12.111 1.00 54.43 H new ATOM 0 HA GLU A 103 -7.147 -1.776 12.665 1.00 55.34 H new ATOM 0 HB2 GLU A 103 -7.043 1.114 13.665 1.00 72.32 H new ATOM 0 HB3 GLU A 103 -7.879 -0.214 14.444 1.00 72.32 H new ATOM 0 HG2 GLU A 103 -5.749 -1.332 14.939 1.00 4.32 H new ATOM 0 HG3 GLU A 103 -4.862 -0.119 14.037 1.00 4.32 H new ATOM 1654 N GLN A 104 -8.313 0.937 11.152 1.00 10.32 N ATOM 1655 CA GLN A 104 -9.450 1.547 10.425 1.00 12.43 C ATOM 1656 C GLN A 104 -9.688 0.872 9.056 1.00 53.25 C ATOM 1657 O GLN A 104 -10.792 0.946 8.516 1.00 21.25 O ATOM 1658 CB GLN A 104 -9.202 3.061 10.237 1.00 75.43 C ATOM 1659 CG GLN A 104 -8.981 3.846 11.539 1.00 1.01 C ATOM 1660 CD GLN A 104 -8.599 5.307 11.302 1.00 41.42 C ATOM 1661 OE1 GLN A 104 -9.461 6.188 11.255 1.00 24.42 O ATOM 1662 NE2 GLN A 104 -7.310 5.561 11.106 1.00 22.30 N ATOM 0 H GLN A 104 -7.481 1.526 11.169 1.00 10.32 H new ATOM 0 HA GLN A 104 -10.348 1.395 11.024 1.00 12.43 H new ATOM 0 HB2 GLN A 104 -8.330 3.195 9.597 1.00 75.43 H new ATOM 0 HB3 GLN A 104 -10.054 3.491 9.710 1.00 75.43 H new ATOM 0 HG2 GLN A 104 -9.891 3.807 12.138 1.00 1.01 H new ATOM 0 HG3 GLN A 104 -8.196 3.361 12.120 1.00 1.01 H new ATOM 0 HE21 GLN A 104 -6.628 4.804 11.153 1.00 22.30 H new ATOM 0 HE22 GLN A 104 -7.002 6.513 10.908 1.00 22.30 H new ATOM 1671 N ALA A 105 -8.637 0.246 8.488 1.00 43.53 N ATOM 1672 CA ALA A 105 -8.757 -0.569 7.254 1.00 74.12 C ATOM 1673 C ALA A 105 -9.247 -1.992 7.590 1.00 5.33 C ATOM 1674 O ALA A 105 -9.865 -2.659 6.754 1.00 64.23 O ATOM 1675 CB ALA A 105 -7.417 -0.618 6.502 1.00 65.13 C ATOM 0 H ALA A 105 -7.690 0.288 8.864 1.00 43.53 H new ATOM 0 HA ALA A 105 -9.494 -0.098 6.603 1.00 74.12 H new ATOM 0 HB1 ALA A 105 -7.528 -1.221 5.601 1.00 65.13 H new ATOM 0 HB2 ALA A 105 -7.116 0.393 6.228 1.00 65.13 H new ATOM 0 HB3 ALA A 105 -6.656 -1.061 7.144 1.00 65.13 H new ATOM 1681 N GLY A 106 -8.959 -2.434 8.832 1.00 12.44 N ATOM 1682 CA GLY A 106 -9.376 -3.753 9.334 1.00 35.52 C ATOM 1683 C GLY A 106 -8.330 -4.849 9.139 1.00 44.11 C ATOM 1684 O GLY A 106 -8.626 -6.033 9.325 1.00 73.44 O ATOM 0 H GLY A 106 -8.432 -1.885 9.511 1.00 12.44 H new ATOM 0 HA2 GLY A 106 -9.607 -3.670 10.396 1.00 35.52 H new ATOM 0 HA3 GLY A 106 -10.296 -4.049 8.830 1.00 35.52 H new ATOM 1688 N ILE A 107 -7.100 -4.444 8.793 1.00 33.42 N ATOM 1689 CA ILE A 107 -5.969 -5.360 8.524 1.00 71.22 C ATOM 1690 C ILE A 107 -5.260 -5.715 9.851 1.00 64.31 C ATOM 1691 O ILE A 107 -5.272 -4.899 10.786 1.00 41.21 O ATOM 1692 CB ILE A 107 -4.923 -4.680 7.562 1.00 33.31 C ATOM 1693 CG1 ILE A 107 -5.608 -3.951 6.371 1.00 1.52 C ATOM 1694 CG2 ILE A 107 -3.896 -5.708 7.025 1.00 64.41 C ATOM 1695 CD1 ILE A 107 -4.651 -3.112 5.546 1.00 34.12 C ATOM 0 H ILE A 107 -6.854 -3.460 8.689 1.00 33.42 H new ATOM 0 HA ILE A 107 -6.362 -6.261 8.053 1.00 71.22 H new ATOM 0 HB ILE A 107 -4.398 -3.935 8.159 1.00 33.31 H new ATOM 0 HG12 ILE A 107 -6.080 -4.691 5.725 1.00 1.52 H new ATOM 0 HG13 ILE A 107 -6.402 -3.311 6.755 1.00 1.52 H new ATOM 0 HG21 ILE A 107 -3.189 -5.205 6.365 1.00 64.41 H new ATOM 0 HG22 ILE A 107 -3.357 -6.155 7.861 1.00 64.41 H new ATOM 0 HG23 ILE A 107 -4.418 -6.488 6.471 1.00 64.41 H new ATOM 0 HD11 ILE A 107 -5.196 -2.632 4.733 1.00 34.12 H new ATOM 0 HD12 ILE A 107 -4.198 -2.349 6.179 1.00 34.12 H new ATOM 0 HD13 ILE A 107 -3.871 -3.751 5.133 1.00 34.12 H new ATOM 1707 N VAL A 108 -4.612 -6.903 9.920 1.00 20.03 N ATOM 1708 CA VAL A 108 -3.844 -7.313 11.105 1.00 33.42 C ATOM 1709 C VAL A 108 -2.611 -6.390 11.245 1.00 1.50 C ATOM 1710 O VAL A 108 -1.654 -6.458 10.438 1.00 24.55 O ATOM 1711 CB VAL A 108 -3.418 -8.826 11.057 1.00 33.45 C ATOM 1712 CG1 VAL A 108 -2.749 -9.256 12.384 1.00 3.42 C ATOM 1713 CG2 VAL A 108 -4.621 -9.737 10.704 1.00 31.20 C ATOM 0 H VAL A 108 -4.610 -7.589 9.165 1.00 20.03 H new ATOM 0 HA VAL A 108 -4.485 -7.211 11.981 1.00 33.42 H new ATOM 0 HB VAL A 108 -2.680 -8.942 10.264 1.00 33.45 H new ATOM 0 HG11 VAL A 108 -2.464 -10.306 12.324 1.00 3.42 H new ATOM 0 HG12 VAL A 108 -1.861 -8.648 12.557 1.00 3.42 H new ATOM 0 HG13 VAL A 108 -3.450 -9.117 13.207 1.00 3.42 H new ATOM 0 HG21 VAL A 108 -4.295 -10.777 10.678 1.00 31.20 H new ATOM 0 HG22 VAL A 108 -5.400 -9.619 11.457 1.00 31.20 H new ATOM 0 HG23 VAL A 108 -5.016 -9.456 9.727 1.00 31.20 H new ATOM 1723 N VAL A 109 -2.692 -5.513 12.262 1.00 13.02 N ATOM 1724 CA VAL A 109 -1.750 -4.412 12.511 1.00 42.34 C ATOM 1725 C VAL A 109 -0.296 -4.904 12.580 1.00 44.00 C ATOM 1726 O VAL A 109 0.557 -4.422 11.831 1.00 5.33 O ATOM 1727 CB VAL A 109 -2.133 -3.652 13.836 1.00 35.21 C ATOM 1728 CG1 VAL A 109 -1.120 -2.535 14.186 1.00 45.42 C ATOM 1729 CG2 VAL A 109 -3.580 -3.097 13.759 1.00 2.15 C ATOM 0 H VAL A 109 -3.440 -5.554 12.954 1.00 13.02 H new ATOM 0 HA VAL A 109 -1.823 -3.723 11.669 1.00 42.34 H new ATOM 0 HB VAL A 109 -2.090 -4.379 14.647 1.00 35.21 H new ATOM 0 HG11 VAL A 109 -1.428 -2.040 15.107 1.00 45.42 H new ATOM 0 HG12 VAL A 109 -0.130 -2.971 14.321 1.00 45.42 H new ATOM 0 HG13 VAL A 109 -1.088 -1.806 13.376 1.00 45.42 H new ATOM 0 HG21 VAL A 109 -3.820 -2.577 14.686 1.00 2.15 H new ATOM 0 HG22 VAL A 109 -3.659 -2.403 12.922 1.00 2.15 H new ATOM 0 HG23 VAL A 109 -4.279 -3.921 13.614 1.00 2.15 H new ATOM 1739 N ASP A 110 -0.047 -5.901 13.451 1.00 62.41 N ATOM 1740 CA ASP A 110 1.310 -6.429 13.705 1.00 24.23 C ATOM 1741 C ASP A 110 1.924 -6.998 12.423 1.00 74.22 C ATOM 1742 O ASP A 110 3.092 -6.742 12.143 1.00 43.23 O ATOM 1743 CB ASP A 110 1.309 -7.512 14.815 1.00 53.43 C ATOM 1744 CG ASP A 110 2.737 -7.984 15.184 1.00 2.11 C ATOM 1745 OD1 ASP A 110 3.401 -7.317 16.006 1.00 30.42 O ATOM 1746 OD2 ASP A 110 3.204 -9.013 14.649 1.00 12.55 O ATOM 0 H ASP A 110 -0.776 -6.362 13.996 1.00 62.41 H new ATOM 0 HA ASP A 110 1.918 -5.592 14.049 1.00 24.23 H new ATOM 0 HB2 ASP A 110 0.820 -7.115 15.705 1.00 53.43 H new ATOM 0 HB3 ASP A 110 0.721 -8.368 14.483 1.00 53.43 H new ATOM 1751 N GLU A 111 1.110 -7.724 11.640 1.00 23.00 N ATOM 1752 CA GLU A 111 1.572 -8.394 10.411 1.00 22.03 C ATOM 1753 C GLU A 111 2.058 -7.385 9.352 1.00 5.40 C ATOM 1754 O GLU A 111 3.074 -7.636 8.683 1.00 74.34 O ATOM 1755 CB GLU A 111 0.470 -9.308 9.833 1.00 61.54 C ATOM 1756 CG GLU A 111 0.096 -10.501 10.733 1.00 13.41 C ATOM 1757 CD GLU A 111 1.247 -11.496 10.957 1.00 54.25 C ATOM 1758 OE1 GLU A 111 1.461 -12.374 10.096 1.00 14.44 O ATOM 1759 OE2 GLU A 111 1.934 -11.427 12.001 1.00 53.32 O ATOM 0 H GLU A 111 0.119 -7.863 11.838 1.00 23.00 H new ATOM 0 HA GLU A 111 2.426 -9.014 10.684 1.00 22.03 H new ATOM 0 HB2 GLU A 111 -0.423 -8.710 9.653 1.00 61.54 H new ATOM 0 HB3 GLU A 111 0.800 -9.687 8.866 1.00 61.54 H new ATOM 0 HG2 GLU A 111 -0.239 -10.124 11.699 1.00 13.41 H new ATOM 0 HG3 GLU A 111 -0.747 -11.030 10.288 1.00 13.41 H new ATOM 1766 N LEU A 112 1.347 -6.237 9.199 1.00 42.14 N ATOM 1767 CA LEU A 112 1.799 -5.168 8.268 1.00 72.34 C ATOM 1768 C LEU A 112 2.920 -4.308 8.876 1.00 54.34 C ATOM 1769 O LEU A 112 3.699 -3.712 8.127 1.00 14.10 O ATOM 1770 CB LEU A 112 0.627 -4.298 7.723 1.00 61.53 C ATOM 1771 CG LEU A 112 -0.275 -3.526 8.752 1.00 15.44 C ATOM 1772 CD1 LEU A 112 0.380 -2.240 9.332 1.00 32.40 C ATOM 1773 CD2 LEU A 112 -1.638 -3.192 8.133 1.00 2.23 C ATOM 0 H LEU A 112 0.480 -6.030 9.694 1.00 42.14 H new ATOM 0 HA LEU A 112 2.220 -5.682 7.404 1.00 72.34 H new ATOM 0 HB2 LEU A 112 1.050 -3.564 7.037 1.00 61.53 H new ATOM 0 HB3 LEU A 112 -0.022 -4.947 7.135 1.00 61.53 H new ATOM 0 HG LEU A 112 -0.406 -4.206 9.594 1.00 15.44 H new ATOM 0 HD11 LEU A 112 -0.307 -1.766 10.033 1.00 32.40 H new ATOM 0 HD12 LEU A 112 1.303 -2.503 9.849 1.00 32.40 H new ATOM 0 HD13 LEU A 112 0.604 -1.548 8.520 1.00 32.40 H new ATOM 0 HD21 LEU A 112 -2.247 -2.658 8.862 1.00 2.23 H new ATOM 0 HD22 LEU A 112 -1.494 -2.567 7.252 1.00 2.23 H new ATOM 0 HD23 LEU A 112 -2.143 -4.114 7.845 1.00 2.23 H new ATOM 1785 N VAL A 113 2.987 -4.226 10.220 1.00 33.23 N ATOM 1786 CA VAL A 113 4.094 -3.528 10.921 1.00 44.24 C ATOM 1787 C VAL A 113 5.398 -4.286 10.650 1.00 41.54 C ATOM 1788 O VAL A 113 6.416 -3.665 10.326 1.00 0.53 O ATOM 1789 CB VAL A 113 3.856 -3.366 12.482 1.00 43.21 C ATOM 1790 CG1 VAL A 113 5.146 -2.921 13.230 1.00 53.43 C ATOM 1791 CG2 VAL A 113 2.702 -2.371 12.764 1.00 62.10 C ATOM 0 H VAL A 113 2.291 -4.632 10.845 1.00 33.23 H new ATOM 0 HA VAL A 113 4.147 -2.513 10.528 1.00 44.24 H new ATOM 0 HB VAL A 113 3.577 -4.348 12.863 1.00 43.21 H new ATOM 0 HG11 VAL A 113 4.934 -2.823 14.295 1.00 53.43 H new ATOM 0 HG12 VAL A 113 5.928 -3.666 13.082 1.00 53.43 H new ATOM 0 HG13 VAL A 113 5.481 -1.961 12.837 1.00 53.43 H new ATOM 0 HG21 VAL A 113 2.558 -2.277 13.840 1.00 62.10 H new ATOM 0 HG22 VAL A 113 2.951 -1.396 12.344 1.00 62.10 H new ATOM 0 HG23 VAL A 113 1.784 -2.739 12.306 1.00 62.10 H new ATOM 1801 N GLN A 114 5.323 -5.633 10.724 1.00 40.43 N ATOM 1802 CA GLN A 114 6.462 -6.526 10.417 1.00 71.43 C ATOM 1803 C GLN A 114 6.863 -6.336 8.957 1.00 54.45 C ATOM 1804 O GLN A 114 8.011 -6.064 8.649 1.00 20.05 O ATOM 1805 CB GLN A 114 6.109 -8.017 10.664 1.00 50.14 C ATOM 1806 CG GLN A 114 5.752 -8.382 12.119 1.00 23.12 C ATOM 1807 CD GLN A 114 6.823 -7.980 13.136 1.00 14.51 C ATOM 1808 OE1 GLN A 114 7.746 -8.744 13.427 1.00 43.43 O ATOM 1809 NE2 GLN A 114 6.691 -6.787 13.695 1.00 60.20 N ATOM 0 H GLN A 114 4.475 -6.130 10.997 1.00 40.43 H new ATOM 0 HA GLN A 114 7.287 -6.265 11.080 1.00 71.43 H new ATOM 0 HB2 GLN A 114 5.268 -8.284 10.024 1.00 50.14 H new ATOM 0 HB3 GLN A 114 6.955 -8.629 10.351 1.00 50.14 H new ATOM 0 HG2 GLN A 114 4.812 -7.899 12.385 1.00 23.12 H new ATOM 0 HG3 GLN A 114 5.587 -9.458 12.184 1.00 23.12 H new ATOM 0 HE21 GLN A 114 5.914 -6.182 13.429 1.00 60.20 H new ATOM 0 HE22 GLN A 114 7.366 -6.473 14.392 1.00 60.20 H new ATOM 1818 N THR A 115 5.857 -6.433 8.096 1.00 51.04 N ATOM 1819 CA THR A 115 5.969 -6.248 6.653 1.00 31.53 C ATOM 1820 C THR A 115 6.725 -4.958 6.267 1.00 70.42 C ATOM 1821 O THR A 115 7.649 -5.010 5.455 1.00 11.03 O ATOM 1822 CB THR A 115 4.530 -6.284 6.058 1.00 50.44 C ATOM 1823 OG1 THR A 115 4.086 -7.646 5.976 1.00 34.05 O ATOM 1824 CG2 THR A 115 4.390 -5.595 4.696 1.00 10.43 C ATOM 0 H THR A 115 4.906 -6.651 8.394 1.00 51.04 H new ATOM 0 HA THR A 115 6.570 -7.054 6.233 1.00 31.53 H new ATOM 0 HB THR A 115 3.900 -5.710 6.737 1.00 50.44 H new ATOM 0 HG1 THR A 115 3.185 -7.674 5.592 1.00 34.05 H new ATOM 0 HG21 THR A 115 3.357 -5.667 4.356 1.00 10.43 H new ATOM 0 HG22 THR A 115 4.669 -4.545 4.789 1.00 10.43 H new ATOM 0 HG23 THR A 115 5.045 -6.082 3.973 1.00 10.43 H new ATOM 1832 N VAL A 116 6.351 -3.825 6.885 1.00 44.41 N ATOM 1833 CA VAL A 116 6.939 -2.510 6.568 1.00 75.42 C ATOM 1834 C VAL A 116 8.333 -2.359 7.216 1.00 23.42 C ATOM 1835 O VAL A 116 9.241 -1.864 6.571 1.00 4.13 O ATOM 1836 CB VAL A 116 5.972 -1.327 6.984 1.00 15.34 C ATOM 1837 CG1 VAL A 116 6.634 0.074 6.840 1.00 54.42 C ATOM 1838 CG2 VAL A 116 4.654 -1.391 6.167 1.00 63.42 C ATOM 0 H VAL A 116 5.638 -3.793 7.613 1.00 44.41 H new ATOM 0 HA VAL A 116 7.068 -2.454 5.487 1.00 75.42 H new ATOM 0 HB VAL A 116 5.748 -1.461 8.042 1.00 15.34 H new ATOM 0 HG11 VAL A 116 5.924 0.845 7.139 1.00 54.42 H new ATOM 0 HG12 VAL A 116 7.517 0.127 7.478 1.00 54.42 H new ATOM 0 HG13 VAL A 116 6.926 0.233 5.802 1.00 54.42 H new ATOM 0 HG21 VAL A 116 4.001 -0.571 6.465 1.00 63.42 H new ATOM 0 HG22 VAL A 116 4.880 -1.306 5.104 1.00 63.42 H new ATOM 0 HG23 VAL A 116 4.154 -2.341 6.357 1.00 63.42 H new ATOM 1848 N LYS A 117 8.513 -2.830 8.463 1.00 53.31 N ATOM 1849 CA LYS A 117 9.796 -2.642 9.208 1.00 5.32 C ATOM 1850 C LYS A 117 10.904 -3.573 8.670 1.00 74.41 C ATOM 1851 O LYS A 117 12.089 -3.226 8.708 1.00 75.44 O ATOM 1852 CB LYS A 117 9.593 -2.860 10.738 1.00 50.52 C ATOM 1853 CG LYS A 117 9.375 -4.328 11.181 1.00 42.14 C ATOM 1854 CD LYS A 117 9.005 -4.507 12.681 1.00 22.30 C ATOM 1855 CE LYS A 117 10.163 -4.232 13.662 1.00 43.05 C ATOM 1856 NZ LYS A 117 10.564 -2.803 13.728 1.00 14.51 N ATOM 0 H LYS A 117 7.800 -3.341 8.983 1.00 53.31 H new ATOM 0 HA LYS A 117 10.117 -1.613 9.048 1.00 5.32 H new ATOM 0 HB2 LYS A 117 10.464 -2.467 11.262 1.00 50.52 H new ATOM 0 HB3 LYS A 117 8.735 -2.271 11.060 1.00 50.52 H new ATOM 0 HG2 LYS A 117 8.583 -4.763 10.571 1.00 42.14 H new ATOM 0 HG3 LYS A 117 10.284 -4.894 10.975 1.00 42.14 H new ATOM 0 HD2 LYS A 117 8.177 -3.840 12.920 1.00 22.30 H new ATOM 0 HD3 LYS A 117 8.649 -5.526 12.835 1.00 22.30 H new ATOM 0 HE2 LYS A 117 9.870 -4.564 14.658 1.00 43.05 H new ATOM 0 HE3 LYS A 117 11.026 -4.829 13.368 1.00 43.05 H new ATOM 0 HZ1 LYS A 117 10.752 -2.541 14.717 1.00 14.51 H new ATOM 0 HZ2 LYS A 117 11.424 -2.657 13.161 1.00 14.51 H new ATOM 0 HZ3 LYS A 117 9.797 -2.209 13.353 1.00 14.51 H new ATOM 1870 N ASN A 118 10.498 -4.755 8.170 1.00 45.24 N ATOM 1871 CA ASN A 118 11.421 -5.765 7.600 1.00 4.24 C ATOM 1872 C ASN A 118 11.755 -5.384 6.164 1.00 52.15 C ATOM 1873 O ASN A 118 12.894 -5.561 5.734 1.00 21.10 O ATOM 1874 CB ASN A 118 10.823 -7.202 7.672 1.00 53.30 C ATOM 1875 CG ASN A 118 10.515 -7.649 9.108 1.00 33.34 C ATOM 1876 OD1 ASN A 118 11.157 -7.215 10.068 1.00 33.05 O ATOM 1877 ND2 ASN A 118 9.523 -8.507 9.270 1.00 24.15 N ATOM 0 H ASN A 118 9.519 -5.041 8.148 1.00 45.24 H new ATOM 0 HA ASN A 118 12.335 -5.776 8.194 1.00 4.24 H new ATOM 0 HB2 ASN A 118 9.908 -7.239 7.081 1.00 53.30 H new ATOM 0 HB3 ASN A 118 11.523 -7.905 7.220 1.00 53.30 H new ATOM 0 HD21 ASN A 118 9.272 -8.826 10.206 1.00 24.15 H new ATOM 0 HD22 ASN A 118 9.008 -8.850 8.459 1.00 24.15 H new ATOM 1884 N TYR A 119 10.745 -4.838 5.441 1.00 74.22 N ATOM 1885 CA TYR A 119 10.941 -4.226 4.111 1.00 63.31 C ATOM 1886 C TYR A 119 11.992 -3.115 4.223 1.00 2.25 C ATOM 1887 O TYR A 119 13.104 -3.257 3.711 1.00 20.34 O ATOM 1888 CB TYR A 119 9.593 -3.694 3.539 1.00 61.11 C ATOM 1889 CG TYR A 119 9.697 -2.763 2.314 1.00 30.54 C ATOM 1890 CD1 TYR A 119 10.062 -3.245 1.050 1.00 63.14 C ATOM 1891 CD2 TYR A 119 9.420 -1.393 2.428 1.00 33.14 C ATOM 1892 CE1 TYR A 119 10.146 -2.396 -0.042 1.00 61.04 C ATOM 1893 CE2 TYR A 119 9.507 -0.548 1.342 1.00 45.30 C ATOM 1894 CZ TYR A 119 9.868 -1.051 0.110 1.00 22.33 C ATOM 1895 OH TYR A 119 9.932 -0.206 -0.977 1.00 65.43 O ATOM 0 H TYR A 119 9.778 -4.812 5.765 1.00 74.22 H new ATOM 0 HA TYR A 119 11.302 -4.979 3.410 1.00 63.31 H new ATOM 0 HB2 TYR A 119 8.974 -4.549 3.269 1.00 61.11 H new ATOM 0 HB3 TYR A 119 9.070 -3.160 4.333 1.00 61.11 H new ATOM 0 HD1 TYR A 119 10.281 -4.295 0.925 1.00 63.14 H new ATOM 0 HD2 TYR A 119 9.132 -0.991 3.388 1.00 33.14 H new ATOM 0 HE1 TYR A 119 10.428 -2.785 -1.009 1.00 61.04 H new ATOM 0 HE2 TYR A 119 9.293 0.504 1.456 1.00 45.30 H new ATOM 0 HH TYR A 119 10.417 0.609 -0.730 1.00 65.43 H new ATOM 1905 N GLN A 120 11.647 -2.069 5.002 1.00 35.41 N ATOM 1906 CA GLN A 120 12.512 -0.900 5.265 1.00 42.24 C ATOM 1907 C GLN A 120 13.862 -1.317 5.900 1.00 34.32 C ATOM 1908 O GLN A 120 14.866 -0.604 5.760 1.00 33.44 O ATOM 1909 CB GLN A 120 11.768 0.118 6.179 1.00 62.23 C ATOM 1910 CG GLN A 120 10.505 0.758 5.540 1.00 44.23 C ATOM 1911 CD GLN A 120 9.849 1.856 6.400 1.00 34.41 C ATOM 1912 OE1 GLN A 120 9.905 1.824 7.630 1.00 13.30 O ATOM 1913 NE2 GLN A 120 9.216 2.826 5.755 1.00 61.24 N ATOM 0 H GLN A 120 10.744 -2.012 5.474 1.00 35.41 H new ATOM 0 HA GLN A 120 12.736 -0.426 4.309 1.00 42.24 H new ATOM 0 HB2 GLN A 120 11.477 -0.386 7.100 1.00 62.23 H new ATOM 0 HB3 GLN A 120 12.461 0.912 6.456 1.00 62.23 H new ATOM 0 HG2 GLN A 120 10.776 1.183 4.573 1.00 44.23 H new ATOM 0 HG3 GLN A 120 9.771 -0.025 5.349 1.00 44.23 H new ATOM 0 HE21 GLN A 120 9.187 2.826 4.735 1.00 61.24 H new ATOM 0 HE22 GLN A 120 8.759 3.572 6.278 1.00 61.24 H new ATOM 1922 N GLY A 121 13.851 -2.486 6.577 1.00 44.41 N ATOM 1923 CA GLY A 121 15.046 -3.094 7.148 1.00 33.55 C ATOM 1924 C GLY A 121 16.033 -3.563 6.093 1.00 40.21 C ATOM 1925 O GLY A 121 17.184 -3.122 6.084 1.00 22.35 O ATOM 0 H GLY A 121 13.002 -3.028 6.737 1.00 44.41 H new ATOM 0 HA2 GLY A 121 15.537 -2.374 7.802 1.00 33.55 H new ATOM 0 HA3 GLY A 121 14.755 -3.942 7.768 1.00 33.55 H new ATOM 1929 N TYR A 122 15.579 -4.434 5.164 1.00 31.51 N ATOM 1930 CA TYR A 122 16.465 -4.991 4.119 1.00 21.11 C ATOM 1931 C TYR A 122 16.783 -3.942 3.033 1.00 2.01 C ATOM 1932 O TYR A 122 17.748 -4.102 2.275 1.00 72.44 O ATOM 1933 CB TYR A 122 15.940 -6.339 3.539 1.00 64.33 C ATOM 1934 CG TYR A 122 14.673 -6.328 2.647 1.00 34.34 C ATOM 1935 CD1 TYR A 122 14.707 -5.857 1.332 1.00 72.13 C ATOM 1936 CD2 TYR A 122 13.457 -6.845 3.098 1.00 32.44 C ATOM 1937 CE1 TYR A 122 13.592 -5.890 0.524 1.00 41.22 C ATOM 1938 CE2 TYR A 122 12.342 -6.885 2.281 1.00 33.54 C ATOM 1939 CZ TYR A 122 12.418 -6.403 0.998 1.00 32.14 C ATOM 1940 OH TYR A 122 11.316 -6.434 0.178 1.00 74.40 O ATOM 0 H TYR A 122 14.615 -4.763 5.117 1.00 31.51 H new ATOM 0 HA TYR A 122 17.412 -5.240 4.598 1.00 21.11 H new ATOM 0 HB2 TYR A 122 16.748 -6.785 2.958 1.00 64.33 H new ATOM 0 HB3 TYR A 122 15.746 -7.006 4.379 1.00 64.33 H new ATOM 0 HD1 TYR A 122 15.630 -5.457 0.939 1.00 72.13 H new ATOM 0 HD2 TYR A 122 13.386 -7.222 4.107 1.00 32.44 H new ATOM 0 HE1 TYR A 122 13.646 -5.510 -0.485 1.00 41.22 H new ATOM 0 HE2 TYR A 122 11.414 -7.294 2.651 1.00 33.54 H new ATOM 0 HH TYR A 122 10.560 -6.829 0.661 1.00 74.40 H new ATOM 1950 N VAL A 123 15.953 -2.872 2.965 1.00 21.43 N ATOM 1951 CA VAL A 123 16.231 -1.694 2.127 1.00 71.20 C ATOM 1952 C VAL A 123 17.521 -0.985 2.616 1.00 10.14 C ATOM 1953 O VAL A 123 18.474 -0.842 1.851 1.00 51.10 O ATOM 1954 CB VAL A 123 15.026 -0.671 2.108 1.00 60.23 C ATOM 1955 CG1 VAL A 123 15.420 0.645 1.403 1.00 20.35 C ATOM 1956 CG2 VAL A 123 13.760 -1.273 1.443 1.00 61.10 C ATOM 0 H VAL A 123 15.080 -2.807 3.488 1.00 21.43 H new ATOM 0 HA VAL A 123 16.371 -2.050 1.106 1.00 71.20 H new ATOM 0 HB VAL A 123 14.786 -0.453 3.149 1.00 60.23 H new ATOM 0 HG11 VAL A 123 14.570 1.328 1.406 1.00 20.35 H new ATOM 0 HG12 VAL A 123 16.256 1.104 1.930 1.00 20.35 H new ATOM 0 HG13 VAL A 123 15.712 0.433 0.374 1.00 20.35 H new ATOM 0 HG21 VAL A 123 12.958 -0.535 1.452 1.00 61.10 H new ATOM 0 HG22 VAL A 123 13.986 -1.550 0.413 1.00 61.10 H new ATOM 0 HG23 VAL A 123 13.445 -2.158 1.995 1.00 61.10 H new ATOM 1966 N GLN A 124 17.557 -0.576 3.905 1.00 35.21 N ATOM 1967 CA GLN A 124 18.734 0.126 4.487 1.00 21.43 C ATOM 1968 C GLN A 124 19.935 -0.830 4.659 1.00 63.43 C ATOM 1969 O GLN A 124 21.079 -0.379 4.780 1.00 40.14 O ATOM 1970 CB GLN A 124 18.371 0.808 5.833 1.00 52.23 C ATOM 1971 CG GLN A 124 17.876 -0.150 6.929 1.00 41.51 C ATOM 1972 CD GLN A 124 17.460 0.544 8.226 1.00 2.23 C ATOM 1973 OE1 GLN A 124 17.989 1.602 8.581 1.00 33.14 O ATOM 1974 NE2 GLN A 124 16.529 -0.049 8.951 1.00 3.22 N ATOM 0 H GLN A 124 16.790 -0.717 4.563 1.00 35.21 H new ATOM 0 HA GLN A 124 19.029 0.905 3.784 1.00 21.43 H new ATOM 0 HB2 GLN A 124 19.248 1.339 6.203 1.00 52.23 H new ATOM 0 HB3 GLN A 124 17.600 1.556 5.649 1.00 52.23 H new ATOM 0 HG2 GLN A 124 17.028 -0.717 6.545 1.00 41.51 H new ATOM 0 HG3 GLN A 124 18.665 -0.869 7.151 1.00 41.51 H new ATOM 0 HE21 GLN A 124 16.112 -0.922 8.630 1.00 3.22 H new ATOM 0 HE22 GLN A 124 16.227 0.366 9.832 1.00 3.22 H new ATOM 1983 N ASP A 125 19.659 -2.148 4.661 1.00 33.14 N ATOM 1984 CA ASP A 125 20.706 -3.193 4.671 1.00 64.42 C ATOM 1985 C ASP A 125 21.332 -3.338 3.262 1.00 23.50 C ATOM 1986 O ASP A 125 22.503 -3.714 3.128 1.00 24.11 O ATOM 1987 CB ASP A 125 20.081 -4.538 5.128 1.00 44.13 C ATOM 1988 CG ASP A 125 21.105 -5.677 5.283 1.00 25.03 C ATOM 1989 OD1 ASP A 125 21.873 -5.663 6.269 1.00 71.34 O ATOM 1990 OD2 ASP A 125 21.151 -6.578 4.425 1.00 63.51 O ATOM 0 H ASP A 125 18.709 -2.519 4.656 1.00 33.14 H new ATOM 0 HA ASP A 125 21.496 -2.909 5.367 1.00 64.42 H new ATOM 0 HB2 ASP A 125 19.572 -4.387 6.080 1.00 44.13 H new ATOM 0 HB3 ASP A 125 19.322 -4.840 4.406 1.00 44.13 H new ATOM 1995 N GLY A 126 20.538 -2.979 2.229 1.00 34.12 N ATOM 1996 CA GLY A 126 20.963 -3.028 0.828 1.00 13.33 C ATOM 1997 C GLY A 126 20.976 -4.439 0.254 1.00 50.11 C ATOM 1998 O GLY A 126 21.795 -4.751 -0.620 1.00 71.02 O ATOM 0 H GLY A 126 19.582 -2.647 2.353 1.00 34.12 H new ATOM 0 HA2 GLY A 126 20.296 -2.406 0.231 1.00 13.33 H new ATOM 0 HA3 GLY A 126 21.961 -2.599 0.743 1.00 13.33 H new ATOM 2002 N HIS A 127 20.068 -5.304 0.741 1.00 31.22 N ATOM 2003 CA HIS A 127 19.967 -6.706 0.283 1.00 55.41 C ATOM 2004 C HIS A 127 18.494 -7.077 0.045 1.00 31.44 C ATOM 2005 O HIS A 127 17.668 -6.899 0.933 1.00 65.31 O ATOM 2006 CB HIS A 127 20.621 -7.648 1.325 1.00 34.00 C ATOM 2007 CG HIS A 127 20.702 -9.093 0.910 1.00 54.43 C ATOM 2008 ND1 HIS A 127 21.736 -9.588 0.152 1.00 24.15 N ATOM 2009 CD2 HIS A 127 19.879 -10.149 1.150 1.00 74.11 C ATOM 2010 CE1 HIS A 127 21.554 -10.871 -0.057 1.00 1.24 C ATOM 2011 NE2 HIS A 127 20.438 -11.244 0.538 1.00 60.33 N ATOM 0 H HIS A 127 19.387 -5.055 1.458 1.00 31.22 H new ATOM 0 HA HIS A 127 20.500 -6.819 -0.661 1.00 55.41 H new ATOM 0 HB2 HIS A 127 21.628 -7.289 1.536 1.00 34.00 H new ATOM 0 HB3 HIS A 127 20.058 -7.583 2.256 1.00 34.00 H new ATOM 0 HD2 HIS A 127 18.959 -10.130 1.715 1.00 74.11 H new ATOM 0 HE1 HIS A 127 22.210 -11.515 -0.623 1.00 1.24 H new ATOM 0 HE2 HIS A 127 20.054 -12.189 0.543 1.00 60.33 H new ATOM 2020 N ASP A 128 18.190 -7.605 -1.159 1.00 3.41 N ATOM 2021 CA ASP A 128 16.818 -7.956 -1.593 1.00 42.51 C ATOM 2022 C ASP A 128 16.249 -9.150 -0.802 1.00 54.45 C ATOM 2023 O ASP A 128 17.002 -10.021 -0.356 1.00 44.35 O ATOM 2024 CB ASP A 128 16.824 -8.296 -3.112 1.00 33.14 C ATOM 2025 CG ASP A 128 17.546 -9.624 -3.449 1.00 1.04 C ATOM 2026 OD1 ASP A 128 18.797 -9.646 -3.488 1.00 40.22 O ATOM 2027 OD2 ASP A 128 16.859 -10.655 -3.652 1.00 21.14 O ATOM 0 H ASP A 128 18.897 -7.803 -1.867 1.00 3.41 H new ATOM 0 HA ASP A 128 16.179 -7.094 -1.400 1.00 42.51 H new ATOM 0 HB2 ASP A 128 15.795 -8.352 -3.467 1.00 33.14 H new ATOM 0 HB3 ASP A 128 17.305 -7.483 -3.656 1.00 33.14 H new ATOM 2032 N HIS A 129 14.915 -9.187 -0.635 1.00 32.12 N ATOM 2033 CA HIS A 129 14.199 -10.347 -0.051 1.00 0.34 C ATOM 2034 C HIS A 129 12.931 -10.641 -0.870 1.00 63.14 C ATOM 2035 O HIS A 129 12.847 -11.676 -1.544 1.00 65.34 O ATOM 2036 CB HIS A 129 13.841 -10.121 1.449 1.00 12.14 C ATOM 2037 CG HIS A 129 14.950 -10.434 2.426 1.00 41.24 C ATOM 2038 ND1 HIS A 129 14.907 -11.514 3.285 1.00 22.33 N ATOM 2039 CD2 HIS A 129 16.130 -9.815 2.679 1.00 13.21 C ATOM 2040 CE1 HIS A 129 16.001 -11.538 4.016 1.00 15.14 C ATOM 2041 NE2 HIS A 129 16.758 -10.524 3.667 1.00 54.31 N ATOM 0 H HIS A 129 14.299 -8.418 -0.899 1.00 32.12 H new ATOM 0 HA HIS A 129 14.867 -11.207 -0.093 1.00 0.34 H new ATOM 0 HB2 HIS A 129 13.543 -9.081 1.583 1.00 12.14 H new ATOM 0 HB3 HIS A 129 12.975 -10.735 1.697 1.00 12.14 H new ATOM 0 HD2 HIS A 129 16.505 -8.927 2.191 1.00 13.21 H new ATOM 0 HE1 HIS A 129 16.236 -12.269 4.775 1.00 15.14 H new ATOM 0 HE2 HIS A 129 17.669 -10.300 4.068 1.00 54.31 H new ATOM 2113 N ASP A 134 15.857 -5.356 -6.468 1.00 5.12 N ATOM 2114 CA ASP A 134 17.256 -4.880 -6.291 1.00 65.32 C ATOM 2115 C ASP A 134 17.346 -3.682 -5.313 1.00 2.12 C ATOM 2116 O ASP A 134 16.413 -2.878 -5.266 1.00 12.13 O ATOM 2117 CB ASP A 134 17.874 -4.460 -7.652 1.00 35.13 C ATOM 2118 CG ASP A 134 17.880 -5.583 -8.694 1.00 51.01 C ATOM 2119 OD1 ASP A 134 16.843 -5.790 -9.358 1.00 10.02 O ATOM 2120 OD2 ASP A 134 18.913 -6.274 -8.842 1.00 41.21 O ATOM 0 HA ASP A 134 17.815 -5.716 -5.870 1.00 65.32 H new ATOM 0 HB2 ASP A 134 17.317 -3.611 -8.048 1.00 35.13 H new ATOM 0 HB3 ASP A 134 18.897 -4.122 -7.488 1.00 35.13 H new ATOM 2125 N PRO A 135 18.472 -3.552 -4.522 1.00 70.15 N ATOM 2126 CA PRO A 135 18.720 -2.399 -3.596 1.00 30.15 C ATOM 2127 C PRO A 135 18.572 -0.998 -4.258 1.00 14.03 C ATOM 2128 O PRO A 135 18.275 -0.013 -3.573 1.00 61.43 O ATOM 2129 CB PRO A 135 20.171 -2.651 -3.076 1.00 1.51 C ATOM 2130 CG PRO A 135 20.742 -3.723 -3.954 1.00 62.22 C ATOM 2131 CD PRO A 135 19.572 -4.550 -4.414 1.00 53.41 C ATOM 0 HA PRO A 135 17.973 -2.365 -2.803 1.00 30.15 H new ATOM 0 HB2 PRO A 135 20.769 -1.741 -3.131 1.00 1.51 H new ATOM 0 HB3 PRO A 135 20.163 -2.964 -2.032 1.00 1.51 H new ATOM 0 HG2 PRO A 135 21.272 -3.291 -4.803 1.00 62.22 H new ATOM 0 HG3 PRO A 135 21.460 -4.334 -3.407 1.00 62.22 H new ATOM 0 HD2 PRO A 135 19.772 -5.034 -5.370 1.00 53.41 H new ATOM 0 HD3 PRO A 135 19.331 -5.339 -3.701 1.00 53.41 H new ATOM 2139 N LYS A 136 18.764 -0.930 -5.589 1.00 54.35 N ATOM 2140 CA LYS A 136 18.597 0.321 -6.371 1.00 61.24 C ATOM 2141 C LYS A 136 17.102 0.746 -6.453 1.00 23.22 C ATOM 2142 O LYS A 136 16.791 1.936 -6.507 1.00 13.51 O ATOM 2143 CB LYS A 136 19.222 0.141 -7.789 1.00 33.54 C ATOM 2144 CG LYS A 136 18.530 -0.921 -8.667 1.00 34.34 C ATOM 2145 CD LYS A 136 19.349 -1.332 -9.918 1.00 71.24 C ATOM 2146 CE LYS A 136 20.581 -2.176 -9.565 1.00 33.43 C ATOM 2147 NZ LYS A 136 21.432 -2.463 -10.747 1.00 2.43 N ATOM 0 H LYS A 136 19.038 -1.733 -6.155 1.00 54.35 H new ATOM 0 HA LYS A 136 19.123 1.127 -5.859 1.00 61.24 H new ATOM 0 HB2 LYS A 136 19.192 1.099 -8.309 1.00 33.54 H new ATOM 0 HB3 LYS A 136 20.272 -0.128 -7.677 1.00 33.54 H new ATOM 0 HG2 LYS A 136 18.337 -1.808 -8.063 1.00 34.34 H new ATOM 0 HG3 LYS A 136 17.562 -0.538 -8.989 1.00 34.34 H new ATOM 0 HD2 LYS A 136 18.710 -1.896 -10.597 1.00 71.24 H new ATOM 0 HD3 LYS A 136 19.667 -0.436 -10.450 1.00 71.24 H new ATOM 0 HE2 LYS A 136 21.173 -1.653 -8.814 1.00 33.43 H new ATOM 0 HE3 LYS A 136 20.257 -3.116 -9.118 1.00 33.43 H new ATOM 0 HZ1 LYS A 136 22.250 -3.035 -10.455 1.00 2.43 H new ATOM 0 HZ2 LYS A 136 20.878 -2.986 -11.455 1.00 2.43 H new ATOM 0 HZ3 LYS A 136 21.765 -1.569 -11.160 1.00 2.43 H new ATOM 2161 N TYR A 137 16.188 -0.249 -6.447 1.00 55.40 N ATOM 2162 CA TYR A 137 14.714 -0.030 -6.454 1.00 64.21 C ATOM 2163 C TYR A 137 14.150 0.000 -5.016 1.00 1.53 C ATOM 2164 O TYR A 137 12.995 0.390 -4.794 1.00 13.53 O ATOM 2165 CB TYR A 137 14.007 -1.151 -7.257 1.00 41.44 C ATOM 2166 CG TYR A 137 14.448 -1.294 -8.718 1.00 11.15 C ATOM 2167 CD1 TYR A 137 14.005 -0.401 -9.691 1.00 13.30 C ATOM 2168 CD2 TYR A 137 15.308 -2.318 -9.124 1.00 50.43 C ATOM 2169 CE1 TYR A 137 14.402 -0.523 -11.008 1.00 30.23 C ATOM 2170 CE2 TYR A 137 15.713 -2.440 -10.443 1.00 51.42 C ATOM 2171 CZ TYR A 137 15.256 -1.539 -11.382 1.00 32.32 C ATOM 2172 OH TYR A 137 15.657 -1.644 -12.699 1.00 13.22 O ATOM 0 H TYR A 137 16.448 -1.235 -6.437 1.00 55.40 H new ATOM 0 HA TYR A 137 14.524 0.934 -6.927 1.00 64.21 H new ATOM 0 HB2 TYR A 137 14.178 -2.100 -6.750 1.00 41.44 H new ATOM 0 HB3 TYR A 137 12.933 -0.967 -7.236 1.00 41.44 H new ATOM 0 HD1 TYR A 137 13.339 0.401 -9.410 1.00 13.30 H new ATOM 0 HD2 TYR A 137 15.664 -3.029 -8.394 1.00 50.43 H new ATOM 0 HE1 TYR A 137 14.043 0.179 -11.746 1.00 30.23 H new ATOM 0 HE2 TYR A 137 16.383 -3.236 -10.734 1.00 51.42 H new ATOM 0 HH TYR A 137 16.259 -2.411 -12.798 1.00 13.22 H new ATOM 2182 N LEU A 138 14.951 -0.483 -4.053 1.00 3.00 N ATOM 2183 CA LEU A 138 14.591 -0.485 -2.626 1.00 63.44 C ATOM 2184 C LEU A 138 14.719 0.937 -2.042 1.00 31.23 C ATOM 2185 O LEU A 138 15.813 1.503 -2.011 1.00 42.11 O ATOM 2186 CB LEU A 138 15.488 -1.486 -1.842 1.00 23.41 C ATOM 2187 CG LEU A 138 15.246 -3.006 -2.118 1.00 12.02 C ATOM 2188 CD1 LEU A 138 16.210 -3.895 -1.287 1.00 73.22 C ATOM 2189 CD2 LEU A 138 13.764 -3.388 -1.884 1.00 35.34 C ATOM 0 H LEU A 138 15.869 -0.884 -4.243 1.00 3.00 H new ATOM 0 HA LEU A 138 13.554 -0.806 -2.526 1.00 63.44 H new ATOM 0 HB2 LEU A 138 16.530 -1.260 -2.069 1.00 23.41 H new ATOM 0 HB3 LEU A 138 15.348 -1.307 -0.776 1.00 23.41 H new ATOM 0 HG LEU A 138 15.467 -3.192 -3.169 1.00 12.02 H new ATOM 0 HD11 LEU A 138 16.014 -4.945 -1.503 1.00 73.22 H new ATOM 0 HD12 LEU A 138 17.241 -3.657 -1.548 1.00 73.22 H new ATOM 0 HD13 LEU A 138 16.053 -3.708 -0.225 1.00 73.22 H new ATOM 0 HD21 LEU A 138 13.626 -4.451 -2.084 1.00 35.34 H new ATOM 0 HD22 LEU A 138 13.492 -3.175 -0.850 1.00 35.34 H new ATOM 0 HD23 LEU A 138 13.129 -2.808 -2.553 1.00 35.34 H new ATOM 2201 N HIS A 139 13.585 1.503 -1.600 1.00 60.11 N ATOM 2202 CA HIS A 139 13.519 2.821 -0.940 1.00 51.22 C ATOM 2203 C HIS A 139 12.386 2.786 0.106 1.00 22.21 C ATOM 2204 O HIS A 139 11.306 2.270 -0.189 1.00 72.34 O ATOM 2205 CB HIS A 139 13.284 3.933 -1.996 1.00 12.12 C ATOM 2206 CG HIS A 139 13.147 5.325 -1.429 1.00 62.22 C ATOM 2207 ND1 HIS A 139 11.928 5.932 -1.227 1.00 34.40 N ATOM 2208 CD2 HIS A 139 14.077 6.231 -1.039 1.00 2.51 C ATOM 2209 CE1 HIS A 139 12.110 7.139 -0.747 1.00 73.43 C ATOM 2210 NE2 HIS A 139 13.402 7.348 -0.615 1.00 25.54 N ATOM 0 H HIS A 139 12.674 1.053 -1.691 1.00 60.11 H new ATOM 0 HA HIS A 139 14.460 3.044 -0.437 1.00 51.22 H new ATOM 0 HB2 HIS A 139 14.113 3.924 -2.703 1.00 12.12 H new ATOM 0 HB3 HIS A 139 12.382 3.695 -2.559 1.00 12.12 H new ATOM 0 HD2 HIS A 139 15.149 6.098 -1.058 1.00 2.51 H new ATOM 0 HE1 HIS A 139 11.329 7.844 -0.501 1.00 73.43 H new ATOM 0 HE2 HIS A 139 13.832 8.201 -0.256 1.00 25.54 H new ATOM 2219 N GLN A 140 12.632 3.330 1.316 1.00 61.03 N ATOM 2220 CA GLN A 140 11.644 3.308 2.418 1.00 23.20 C ATOM 2221 C GLN A 140 10.551 4.373 2.215 1.00 31.42 C ATOM 2222 O GLN A 140 10.789 5.400 1.568 1.00 5.11 O ATOM 2223 CB GLN A 140 12.325 3.544 3.800 1.00 12.42 C ATOM 2224 CG GLN A 140 13.416 2.510 4.195 1.00 65.01 C ATOM 2225 CD GLN A 140 14.856 2.918 3.901 1.00 55.40 C ATOM 2226 OE1 GLN A 140 15.132 3.680 2.976 1.00 24.31 O ATOM 2227 NE2 GLN A 140 15.786 2.378 4.669 1.00 1.13 N ATOM 0 H GLN A 140 13.509 3.792 1.556 1.00 61.03 H new ATOM 0 HA GLN A 140 11.189 2.318 2.406 1.00 23.20 H new ATOM 0 HB2 GLN A 140 12.774 4.537 3.799 1.00 12.42 H new ATOM 0 HB3 GLN A 140 11.554 3.544 4.570 1.00 12.42 H new ATOM 0 HG2 GLN A 140 13.327 2.306 5.262 1.00 65.01 H new ATOM 0 HG3 GLN A 140 13.210 1.575 3.673 1.00 65.01 H new ATOM 0 HE21 GLN A 140 15.520 1.750 5.427 1.00 1.13 H new ATOM 0 HE22 GLN A 140 16.770 2.589 4.503 1.00 1.13 H new ATOM 2236 N PHE A 141 9.356 4.113 2.783 1.00 52.24 N ATOM 2237 CA PHE A 141 8.289 5.121 2.907 1.00 53.14 C ATOM 2238 C PHE A 141 8.763 6.223 3.873 1.00 52.12 C ATOM 2239 O PHE A 141 8.833 5.979 5.085 1.00 42.24 O ATOM 2240 CB PHE A 141 6.981 4.487 3.470 1.00 45.33 C ATOM 2241 CG PHE A 141 6.495 3.219 2.768 1.00 35.04 C ATOM 2242 CD1 PHE A 141 5.711 3.294 1.624 1.00 23.23 C ATOM 2243 CD2 PHE A 141 6.803 1.948 3.277 1.00 64.45 C ATOM 2244 CE1 PHE A 141 5.253 2.150 1.007 1.00 3.44 C ATOM 2245 CE2 PHE A 141 6.343 0.805 2.652 1.00 64.12 C ATOM 2246 CZ PHE A 141 5.566 0.907 1.518 1.00 10.21 C ATOM 0 H PHE A 141 9.106 3.201 3.167 1.00 52.24 H new ATOM 0 HA PHE A 141 8.078 5.531 1.919 1.00 53.14 H new ATOM 0 HB2 PHE A 141 7.136 4.258 4.524 1.00 45.33 H new ATOM 0 HB3 PHE A 141 6.188 5.233 3.419 1.00 45.33 H new ATOM 0 HD1 PHE A 141 5.457 4.260 1.213 1.00 23.23 H new ATOM 0 HD2 PHE A 141 7.407 1.862 4.168 1.00 64.45 H new ATOM 0 HE1 PHE A 141 4.645 2.227 0.118 1.00 3.44 H new ATOM 0 HE2 PHE A 141 6.592 -0.167 3.051 1.00 64.12 H new ATOM 0 HZ PHE A 141 5.203 0.015 1.030 1.00 10.21 H new ATOM 2256 N GLU A 142 9.145 7.396 3.338 1.00 3.41 N ATOM 2257 CA GLU A 142 9.541 8.549 4.166 1.00 15.43 C ATOM 2258 C GLU A 142 8.301 9.082 4.908 1.00 52.11 C ATOM 2259 O GLU A 142 7.496 9.831 4.352 1.00 42.24 O ATOM 2260 CB GLU A 142 10.252 9.620 3.299 1.00 50.54 C ATOM 2261 CG GLU A 142 11.563 9.099 2.669 1.00 11.53 C ATOM 2262 CD GLU A 142 12.329 10.156 1.864 1.00 1.34 C ATOM 2263 OE1 GLU A 142 12.888 11.093 2.475 1.00 31.10 O ATOM 2264 OE2 GLU A 142 12.390 10.051 0.628 1.00 25.14 O ATOM 0 H GLU A 142 9.188 7.571 2.334 1.00 3.41 H new ATOM 0 HA GLU A 142 10.268 8.249 4.921 1.00 15.43 H new ATOM 0 HB2 GLU A 142 9.578 9.948 2.508 1.00 50.54 H new ATOM 0 HB3 GLU A 142 10.470 10.493 3.914 1.00 50.54 H new ATOM 0 HG2 GLU A 142 12.210 8.720 3.461 1.00 11.53 H new ATOM 0 HG3 GLU A 142 11.331 8.257 2.017 1.00 11.53 H new ATOM 2271 N GLY A 143 8.181 8.637 6.177 1.00 25.13 N ATOM 2272 CA GLY A 143 6.942 8.688 6.942 1.00 73.50 C ATOM 2273 C GLY A 143 6.512 10.081 7.370 1.00 23.43 C ATOM 2274 O GLY A 143 7.203 10.734 8.157 1.00 31.42 O ATOM 0 H GLY A 143 8.959 8.229 6.695 1.00 25.13 H new ATOM 0 HA2 GLY A 143 6.145 8.245 6.345 1.00 73.50 H new ATOM 0 HA3 GLY A 143 7.056 8.069 7.832 1.00 73.50 H new ATOM 2278 N GLU A 144 5.380 10.539 6.825 1.00 51.41 N ATOM 2279 CA GLU A 144 4.620 11.685 7.345 1.00 72.21 C ATOM 2280 C GLU A 144 3.239 11.187 7.787 1.00 3.31 C ATOM 2281 O GLU A 144 2.839 11.366 8.945 1.00 12.45 O ATOM 2282 CB GLU A 144 4.493 12.829 6.297 1.00 75.05 C ATOM 2283 CG GLU A 144 5.815 13.574 6.013 1.00 73.22 C ATOM 2284 CD GLU A 144 5.636 14.815 5.121 1.00 72.13 C ATOM 2285 OE1 GLU A 144 5.286 15.897 5.649 1.00 51.43 O ATOM 2286 OE2 GLU A 144 5.828 14.720 3.895 1.00 65.32 O ATOM 0 H GLU A 144 4.958 10.119 5.997 1.00 51.41 H new ATOM 0 HA GLU A 144 5.155 12.110 8.194 1.00 72.21 H new ATOM 0 HB2 GLU A 144 4.116 12.412 5.363 1.00 75.05 H new ATOM 0 HB3 GLU A 144 3.752 13.547 6.647 1.00 75.05 H new ATOM 0 HG2 GLU A 144 6.263 13.877 6.959 1.00 73.22 H new ATOM 0 HG3 GLU A 144 6.514 12.889 5.534 1.00 73.22 H new ATOM 2293 N THR A 145 2.526 10.529 6.855 1.00 11.21 N ATOM 2294 CA THR A 145 1.191 9.946 7.092 1.00 42.15 C ATOM 2295 C THR A 145 1.001 8.734 6.161 1.00 31.14 C ATOM 2296 O THR A 145 1.101 8.884 4.942 1.00 41.02 O ATOM 2297 CB THR A 145 0.050 11.005 6.847 1.00 71.31 C ATOM 2298 OG1 THR A 145 0.241 12.131 7.717 1.00 12.35 O ATOM 2299 CG2 THR A 145 -1.360 10.427 7.087 1.00 60.30 C ATOM 0 H THR A 145 2.864 10.385 5.904 1.00 11.21 H new ATOM 0 HA THR A 145 1.126 9.629 8.133 1.00 42.15 H new ATOM 0 HB THR A 145 0.115 11.304 5.801 1.00 71.31 H new ATOM 0 HG1 THR A 145 -0.469 12.789 7.562 1.00 12.35 H new ATOM 0 HG21 THR A 145 -2.106 11.200 6.904 1.00 60.30 H new ATOM 0 HG22 THR A 145 -1.530 9.590 6.410 1.00 60.30 H new ATOM 0 HG23 THR A 145 -1.441 10.082 8.118 1.00 60.30 H new ATOM 2307 N PHE A 146 0.709 7.546 6.728 1.00 24.22 N ATOM 2308 CA PHE A 146 0.520 6.306 5.941 1.00 75.02 C ATOM 2309 C PHE A 146 -0.937 6.205 5.455 1.00 31.11 C ATOM 2310 O PHE A 146 -1.880 6.283 6.250 1.00 45.21 O ATOM 2311 CB PHE A 146 0.903 5.039 6.776 1.00 44.03 C ATOM 2312 CG PHE A 146 2.389 4.656 6.706 1.00 53.24 C ATOM 2313 CD1 PHE A 146 3.337 5.243 7.545 1.00 73.33 C ATOM 2314 CD2 PHE A 146 2.835 3.705 5.780 1.00 40.44 C ATOM 2315 CE1 PHE A 146 4.678 4.890 7.463 1.00 1.24 C ATOM 2316 CE2 PHE A 146 4.171 3.355 5.700 1.00 60.25 C ATOM 2317 CZ PHE A 146 5.092 3.945 6.541 1.00 44.23 C ATOM 0 H PHE A 146 0.598 7.417 7.734 1.00 24.22 H new ATOM 0 HA PHE A 146 1.182 6.350 5.077 1.00 75.02 H new ATOM 0 HB2 PHE A 146 0.634 5.211 7.818 1.00 44.03 H new ATOM 0 HB3 PHE A 146 0.307 4.196 6.428 1.00 44.03 H new ATOM 0 HD1 PHE A 146 3.024 5.982 8.268 1.00 73.33 H new ATOM 0 HD2 PHE A 146 2.123 3.236 5.116 1.00 40.44 H new ATOM 0 HE1 PHE A 146 5.399 5.354 8.120 1.00 1.24 H new ATOM 0 HE2 PHE A 146 4.493 2.619 4.978 1.00 60.25 H new ATOM 0 HZ PHE A 146 6.135 3.670 6.480 1.00 44.23 H new ATOM 2327 N TYR A 147 -1.090 6.059 4.124 1.00 65.45 N ATOM 2328 CA TYR A 147 -2.383 5.862 3.451 1.00 41.04 C ATOM 2329 C TYR A 147 -2.488 4.410 2.967 1.00 33.01 C ATOM 2330 O TYR A 147 -1.601 3.918 2.260 1.00 53.13 O ATOM 2331 CB TYR A 147 -2.540 6.836 2.247 1.00 53.43 C ATOM 2332 CG TYR A 147 -2.769 8.305 2.636 1.00 2.11 C ATOM 2333 CD1 TYR A 147 -1.765 9.063 3.237 1.00 4.43 C ATOM 2334 CD2 TYR A 147 -3.993 8.936 2.397 1.00 35.44 C ATOM 2335 CE1 TYR A 147 -1.975 10.384 3.583 1.00 61.23 C ATOM 2336 CE2 TYR A 147 -4.200 10.261 2.743 1.00 62.15 C ATOM 2337 CZ TYR A 147 -3.188 10.979 3.334 1.00 43.24 C ATOM 2338 OH TYR A 147 -3.393 12.301 3.680 1.00 62.02 O ATOM 0 H TYR A 147 -0.302 6.075 3.477 1.00 65.45 H new ATOM 0 HA TYR A 147 -3.182 6.072 4.162 1.00 41.04 H new ATOM 0 HB2 TYR A 147 -1.645 6.773 1.627 1.00 53.43 H new ATOM 0 HB3 TYR A 147 -3.377 6.502 1.633 1.00 53.43 H new ATOM 0 HD1 TYR A 147 -0.805 8.609 3.436 1.00 4.43 H new ATOM 0 HD2 TYR A 147 -4.794 8.379 1.933 1.00 35.44 H new ATOM 0 HE1 TYR A 147 -1.183 10.951 4.051 1.00 61.23 H new ATOM 0 HE2 TYR A 147 -5.154 10.729 2.549 1.00 62.15 H new ATOM 0 HH TYR A 147 -2.528 12.740 3.823 1.00 62.02 H new ATOM 2348 N ILE A 148 -3.563 3.726 3.377 1.00 32.43 N ATOM 2349 CA ILE A 148 -3.880 2.365 2.923 1.00 61.12 C ATOM 2350 C ILE A 148 -5.104 2.430 1.988 1.00 72.32 C ATOM 2351 O ILE A 148 -6.226 2.711 2.426 1.00 63.11 O ATOM 2352 CB ILE A 148 -4.135 1.390 4.139 1.00 11.55 C ATOM 2353 CG1 ILE A 148 -2.852 1.292 5.044 1.00 1.54 C ATOM 2354 CG2 ILE A 148 -4.581 -0.011 3.648 1.00 60.05 C ATOM 2355 CD1 ILE A 148 -2.959 0.348 6.237 1.00 42.41 C ATOM 0 H ILE A 148 -4.242 4.103 4.038 1.00 32.43 H new ATOM 0 HA ILE A 148 -3.027 1.960 2.378 1.00 61.12 H new ATOM 0 HB ILE A 148 -4.946 1.800 4.741 1.00 11.55 H new ATOM 0 HG12 ILE A 148 -2.015 0.972 4.424 1.00 1.54 H new ATOM 0 HG13 ILE A 148 -2.612 2.289 5.413 1.00 1.54 H new ATOM 0 HG21 ILE A 148 -4.749 -0.661 4.507 1.00 60.05 H new ATOM 0 HG22 ILE A 148 -5.504 0.081 3.076 1.00 60.05 H new ATOM 0 HG23 ILE A 148 -3.803 -0.439 3.016 1.00 60.05 H new ATOM 0 HD11 ILE A 148 -2.021 0.356 6.792 1.00 42.41 H new ATOM 0 HD12 ILE A 148 -3.769 0.675 6.888 1.00 42.41 H new ATOM 0 HD13 ILE A 148 -3.163 -0.663 5.884 1.00 42.41 H new ATOM 2367 N ILE A 149 -4.853 2.218 0.687 1.00 64.13 N ATOM 2368 CA ILE A 149 -5.883 2.236 -0.360 1.00 52.23 C ATOM 2369 C ILE A 149 -6.379 0.805 -0.595 1.00 51.25 C ATOM 2370 O ILE A 149 -5.568 -0.102 -0.799 1.00 64.02 O ATOM 2371 CB ILE A 149 -5.310 2.844 -1.698 1.00 62.33 C ATOM 2372 CG1 ILE A 149 -4.657 4.244 -1.438 1.00 54.32 C ATOM 2373 CG2 ILE A 149 -6.399 2.932 -2.802 1.00 54.11 C ATOM 2374 CD1 ILE A 149 -5.568 5.280 -0.784 1.00 33.51 C ATOM 0 H ILE A 149 -3.917 2.027 0.329 1.00 64.13 H new ATOM 0 HA ILE A 149 -6.713 2.864 -0.036 1.00 52.23 H new ATOM 0 HB ILE A 149 -4.535 2.168 -2.061 1.00 62.33 H new ATOM 0 HG12 ILE A 149 -3.780 4.105 -0.806 1.00 54.32 H new ATOM 0 HG13 ILE A 149 -4.304 4.644 -2.389 1.00 54.32 H new ATOM 0 HG21 ILE A 149 -5.965 3.356 -3.708 1.00 54.11 H new ATOM 0 HG22 ILE A 149 -6.782 1.934 -3.016 1.00 54.11 H new ATOM 0 HG23 ILE A 149 -7.215 3.568 -2.458 1.00 54.11 H new ATOM 0 HD11 ILE A 149 -5.020 6.212 -0.648 1.00 33.51 H new ATOM 0 HD12 ILE A 149 -6.434 5.458 -1.422 1.00 33.51 H new ATOM 0 HD13 ILE A 149 -5.902 4.911 0.186 1.00 33.51 H new ATOM 2386 N GLU A 150 -7.697 0.624 -0.549 1.00 65.11 N ATOM 2387 CA GLU A 150 -8.350 -0.687 -0.676 1.00 63.40 C ATOM 2388 C GLU A 150 -8.702 -0.985 -2.147 1.00 15.35 C ATOM 2389 O GLU A 150 -9.457 -0.234 -2.783 1.00 34.51 O ATOM 2390 CB GLU A 150 -9.616 -0.697 0.220 1.00 73.23 C ATOM 2391 CG GLU A 150 -10.486 -1.964 0.124 1.00 32.12 C ATOM 2392 CD GLU A 150 -11.719 -1.942 1.040 1.00 72.54 C ATOM 2393 OE1 GLU A 150 -12.613 -1.093 0.829 1.00 62.15 O ATOM 2394 OE2 GLU A 150 -11.824 -2.782 1.958 1.00 41.20 O ATOM 0 H GLU A 150 -8.356 1.392 -0.421 1.00 65.11 H new ATOM 0 HA GLU A 150 -7.669 -1.472 -0.347 1.00 63.40 H new ATOM 0 HB2 GLU A 150 -9.307 -0.567 1.257 1.00 73.23 H new ATOM 0 HB3 GLU A 150 -10.230 0.165 -0.040 1.00 73.23 H new ATOM 0 HG2 GLU A 150 -10.814 -2.091 -0.908 1.00 32.12 H new ATOM 0 HG3 GLU A 150 -9.876 -2.832 0.373 1.00 32.12 H new ATOM 2401 N GLN A 151 -8.122 -2.072 -2.683 1.00 51.11 N ATOM 2402 CA GLN A 151 -8.475 -2.622 -4.005 1.00 4.34 C ATOM 2403 C GLN A 151 -9.240 -3.944 -3.798 1.00 72.31 C ATOM 2404 O GLN A 151 -8.626 -4.975 -3.520 1.00 25.50 O ATOM 2405 CB GLN A 151 -7.197 -2.902 -4.878 1.00 62.52 C ATOM 2406 CG GLN A 151 -6.285 -1.683 -5.166 1.00 61.35 C ATOM 2407 CD GLN A 151 -5.453 -1.223 -3.968 1.00 11.24 C ATOM 2408 OE1 GLN A 151 -5.048 -2.022 -3.120 1.00 32.24 O ATOM 2409 NE2 GLN A 151 -5.211 0.069 -3.876 1.00 13.34 N ATOM 0 H GLN A 151 -7.389 -2.599 -2.208 1.00 51.11 H new ATOM 0 HA GLN A 151 -9.089 -1.890 -4.530 1.00 4.34 H new ATOM 0 HB2 GLN A 151 -6.601 -3.665 -4.378 1.00 62.52 H new ATOM 0 HB3 GLN A 151 -7.518 -3.322 -5.831 1.00 62.52 H new ATOM 0 HG2 GLN A 151 -5.612 -1.933 -5.986 1.00 61.35 H new ATOM 0 HG3 GLN A 151 -6.904 -0.852 -5.504 1.00 61.35 H new ATOM 0 HE21 GLN A 151 -5.559 0.705 -4.593 1.00 13.34 H new ATOM 0 HE22 GLN A 151 -4.676 0.433 -3.088 1.00 13.34 H new ATOM 2418 N ARG A 152 -10.575 -3.914 -3.914 1.00 14.14 N ATOM 2419 CA ARG A 152 -11.388 -5.147 -3.953 1.00 22.34 C ATOM 2420 C ARG A 152 -11.421 -5.659 -5.395 1.00 11.14 C ATOM 2421 O ARG A 152 -11.422 -4.839 -6.328 1.00 41.32 O ATOM 2422 CB ARG A 152 -12.823 -4.900 -3.424 1.00 14.23 C ATOM 2423 CG ARG A 152 -12.861 -4.389 -1.975 1.00 61.33 C ATOM 2424 CD ARG A 152 -14.270 -4.329 -1.372 1.00 21.31 C ATOM 2425 NE ARG A 152 -14.236 -3.697 -0.048 1.00 25.10 N ATOM 2426 CZ ARG A 152 -14.972 -4.023 1.019 1.00 11.04 C ATOM 2427 NH1 ARG A 152 -15.871 -5.004 0.972 1.00 30.54 N ATOM 2428 NH2 ARG A 152 -14.771 -3.361 2.148 1.00 53.22 N ATOM 0 H ARG A 152 -11.118 -3.053 -3.983 1.00 14.14 H new ATOM 0 HA ARG A 152 -10.937 -5.895 -3.301 1.00 22.34 H new ATOM 0 HB2 ARG A 152 -13.320 -4.176 -4.070 1.00 14.23 H new ATOM 0 HB3 ARG A 152 -13.391 -5.828 -3.489 1.00 14.23 H new ATOM 0 HG2 ARG A 152 -12.239 -5.036 -1.356 1.00 61.33 H new ATOM 0 HG3 ARG A 152 -12.419 -3.393 -1.940 1.00 61.33 H new ATOM 0 HD2 ARG A 152 -14.931 -3.768 -2.032 1.00 21.31 H new ATOM 0 HD3 ARG A 152 -14.680 -5.336 -1.291 1.00 21.31 H new ATOM 0 HE ARG A 152 -13.580 -2.925 0.071 1.00 25.10 H new ATOM 0 HH11 ARG A 152 -16.011 -5.527 0.107 1.00 30.54 H new ATOM 0 HH12 ARG A 152 -16.420 -5.233 1.801 1.00 30.54 H new ATOM 0 HH21 ARG A 152 -14.068 -2.623 2.188 1.00 53.22 H new ATOM 0 HH22 ARG A 152 -15.319 -3.589 2.978 1.00 53.22 H new ATOM 2442 N LEU A 153 -11.454 -7.001 -5.577 1.00 21.53 N ATOM 2443 CA LEU A 153 -11.475 -7.621 -6.919 1.00 13.20 C ATOM 2444 C LEU A 153 -12.698 -7.167 -7.730 1.00 53.12 C ATOM 2445 O LEU A 153 -13.739 -6.805 -7.164 1.00 61.20 O ATOM 2446 CB LEU A 153 -11.424 -9.175 -6.844 1.00 33.04 C ATOM 2447 CG LEU A 153 -10.054 -9.789 -6.422 1.00 51.11 C ATOM 2448 CD1 LEU A 153 -10.120 -11.330 -6.404 1.00 32.43 C ATOM 2449 CD2 LEU A 153 -8.897 -9.279 -7.326 1.00 64.50 C ATOM 0 H LEU A 153 -11.467 -7.673 -4.810 1.00 21.53 H new ATOM 0 HA LEU A 153 -10.576 -7.281 -7.433 1.00 13.20 H new ATOM 0 HB2 LEU A 153 -12.184 -9.511 -6.139 1.00 33.04 H new ATOM 0 HB3 LEU A 153 -11.695 -9.576 -7.820 1.00 33.04 H new ATOM 0 HG LEU A 153 -9.840 -9.454 -5.407 1.00 51.11 H new ATOM 0 HD11 LEU A 153 -9.152 -11.732 -6.107 1.00 32.43 H new ATOM 0 HD12 LEU A 153 -10.881 -11.653 -5.694 1.00 32.43 H new ATOM 0 HD13 LEU A 153 -10.374 -11.695 -7.399 1.00 32.43 H new ATOM 0 HD21 LEU A 153 -7.958 -9.728 -7.003 1.00 64.50 H new ATOM 0 HD22 LEU A 153 -9.095 -9.557 -8.361 1.00 64.50 H new ATOM 0 HD23 LEU A 153 -8.826 -8.194 -7.249 1.00 64.50 H new