USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=33 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+ 179:sc= 0.689 (180deg=0.0381) USER MOD Set 1.2: A 147 TYR OH : rot 6:sc= 1.1 USER MOD Set 2.1: A 124 GLN : amide:sc= 0.389 K(o=1.2,f=-0.52) USER MOD Set 2.2: A 140 GLN : amide:sc= 0.813 K(o=1.2,f=-0.3) USER MOD Set 3.1: A 40 THR OG1 : rot 180:sc= -0.109 USER MOD Set 3.2: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 15 LYS NZ :NH3+ 155:sc= 0.9 (180deg=0) USER MOD Set 4.2: A 36 SER OG : rot -112:sc= 0.0687 USER MOD Single : A 10 THR OG1 : rot 18:sc= 0.384 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00803 USER MOD Single : A 12 TYR OH : rot -71:sc= 0.509 USER MOD Single : A 14 SER OG : rot -7:sc= 0.488 USER MOD Single : A 16 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.0018) USER MOD Single : A 18 THR OG1 : rot -14:sc= 0.968 USER MOD Single : A 20 MET CE :methyl -108:sc= -1.52 (180deg=-3.36!) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.262 USER MOD Single : A 26 ASN : amide:sc= 1.62 K(o=1.6,f=-9.3!) USER MOD Single : A 27 SER OG : rot -27:sc= 0.137 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.31) USER MOD Single : A 37 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.045) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.503 K(o=0.5,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 164:sc= -0.0376 (180deg=-0.309) USER MOD Single : A 55 TYR OH : rot -101:sc= 0.417 USER MOD Single : A 58 MET CE :methyl -126:sc= -2.18! (180deg=-2.54) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00267 USER MOD Single : A 64 LYS NZ :NH3+ 148:sc= 0.569 (180deg=0.0227) USER MOD Single : A 65 LYS NZ :NH3+ 138:sc= 0.137 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc=-0.00176 USER MOD Single : A 73 HIS : no HE2:sc= -0.322 X(o=-0.32,f=-0.087) USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 USER MOD Single : A 104 GLN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 114 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.057) USER MOD Single : A 115 THR OG1 : rot 75:sc= 0.688 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc=-0.00267 K(o=-0.0027,f=-0.62) USER MOD Single : A 119 TYR OH : rot -138:sc= 0.0937 USER MOD Single : A 120 GLN : amide:sc= -0.777 K(o=-0.78,f=-0.19) USER MOD Single : A 122 TYR OH : rot 15:sc= -0.85 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) 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 HE2:sc= 0.0369 X(o=0.037,f=-0.39) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.17!) USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -8.926 2.691 -11.764 1.00 72.33 N ATOM 140 CA THR A 10 -8.311 1.621 -12.579 1.00 72.43 C ATOM 141 C THR A 10 -6.823 1.495 -12.126 1.00 23.12 C ATOM 142 O THR A 10 -6.466 2.026 -11.066 1.00 33.44 O ATOM 143 CB THR A 10 -8.442 1.961 -14.127 1.00 21.12 C ATOM 144 OG1 THR A 10 -9.688 2.643 -14.404 1.00 1.44 O ATOM 145 CG2 THR A 10 -8.378 0.698 -15.020 1.00 42.13 C ATOM 0 HA THR A 10 -8.818 0.667 -12.432 1.00 72.43 H new ATOM 0 HB THR A 10 -7.594 2.603 -14.363 1.00 21.12 H new ATOM 0 HG1 THR A 10 -10.059 2.998 -13.569 1.00 1.44 H new ATOM 0 HG21 THR A 10 -8.472 0.987 -16.067 1.00 42.13 H new ATOM 0 HG22 THR A 10 -7.424 0.193 -14.868 1.00 42.13 H new ATOM 0 HG23 THR A 10 -9.192 0.024 -14.755 1.00 42.13 H new ATOM 153 N THR A 11 -5.960 0.820 -12.919 1.00 13.25 N ATOM 154 CA THR A 11 -4.537 0.584 -12.573 1.00 64.24 C ATOM 155 C THR A 11 -3.696 1.881 -12.420 1.00 64.50 C ATOM 156 O THR A 11 -2.673 1.849 -11.758 1.00 71.55 O ATOM 157 CB THR A 11 -3.887 -0.355 -13.648 1.00 53.24 C ATOM 158 OG1 THR A 11 -4.229 0.118 -14.960 1.00 41.44 O ATOM 159 CG2 THR A 11 -4.349 -1.822 -13.506 1.00 20.11 C ATOM 0 H THR A 11 -6.230 0.422 -13.819 1.00 13.25 H new ATOM 0 HA THR A 11 -4.533 0.111 -11.591 1.00 64.24 H new ATOM 0 HB THR A 11 -2.808 -0.330 -13.493 1.00 53.24 H new ATOM 0 HG1 THR A 11 -3.823 -0.466 -15.634 1.00 41.44 H new ATOM 0 HG21 THR A 11 -3.870 -2.430 -14.273 1.00 20.11 H new ATOM 0 HG22 THR A 11 -4.072 -2.197 -12.521 1.00 20.11 H new ATOM 0 HG23 THR A 11 -5.431 -1.876 -13.623 1.00 20.11 H new ATOM 167 N TYR A 12 -4.154 3.006 -13.014 1.00 21.02 N ATOM 168 CA TYR A 12 -3.398 4.291 -13.040 1.00 11.30 C ATOM 169 C TYR A 12 -2.986 4.776 -11.624 1.00 24.33 C ATOM 170 O TYR A 12 -1.909 5.351 -11.443 1.00 73.32 O ATOM 171 CB TYR A 12 -4.231 5.391 -13.756 1.00 3.33 C ATOM 172 CG TYR A 12 -5.459 5.917 -12.978 1.00 23.32 C ATOM 173 CD1 TYR A 12 -6.621 5.165 -12.872 1.00 3.52 C ATOM 174 CD2 TYR A 12 -5.449 7.173 -12.357 1.00 2.42 C ATOM 175 CE1 TYR A 12 -7.721 5.637 -12.191 1.00 21.43 C ATOM 176 CE2 TYR A 12 -6.552 7.642 -11.670 1.00 14.51 C ATOM 177 CZ TYR A 12 -7.684 6.868 -11.590 1.00 22.24 C ATOM 178 OH TYR A 12 -8.795 7.325 -10.920 1.00 11.44 O ATOM 0 H TYR A 12 -5.055 3.055 -13.489 1.00 21.02 H new ATOM 0 HA TYR A 12 -2.479 4.104 -13.595 1.00 11.30 H new ATOM 0 HB2 TYR A 12 -3.574 6.233 -13.974 1.00 3.33 H new ATOM 0 HB3 TYR A 12 -4.572 4.997 -14.713 1.00 3.33 H new ATOM 0 HD1 TYR A 12 -6.663 4.189 -13.333 1.00 3.52 H new ATOM 0 HD2 TYR A 12 -4.562 7.786 -12.417 1.00 2.42 H new ATOM 0 HE1 TYR A 12 -8.616 5.035 -12.130 1.00 21.43 H new ATOM 0 HE2 TYR A 12 -6.524 8.613 -11.198 1.00 14.51 H new ATOM 0 HH TYR A 12 -9.499 7.545 -11.566 1.00 11.44 H new ATOM 188 N ALA A 13 -3.868 4.532 -10.640 1.00 34.42 N ATOM 189 CA ALA A 13 -3.673 4.968 -9.249 1.00 12.41 C ATOM 190 C ALA A 13 -2.678 4.050 -8.504 1.00 43.35 C ATOM 191 O ALA A 13 -1.895 4.527 -7.678 1.00 53.23 O ATOM 192 CB ALA A 13 -5.031 5.008 -8.525 1.00 42.31 C ATOM 0 H ALA A 13 -4.740 4.024 -10.789 1.00 34.42 H new ATOM 0 HA ALA A 13 -3.243 5.970 -9.257 1.00 12.41 H new ATOM 0 HB1 ALA A 13 -4.884 5.331 -7.494 1.00 42.31 H new ATOM 0 HB2 ALA A 13 -5.694 5.707 -9.034 1.00 42.31 H new ATOM 0 HB3 ALA A 13 -5.477 4.014 -8.533 1.00 42.31 H new ATOM 198 N SER A 14 -2.720 2.737 -8.824 1.00 73.01 N ATOM 199 CA SER A 14 -1.920 1.700 -8.130 1.00 0.01 C ATOM 200 C SER A 14 -0.487 1.601 -8.692 1.00 52.21 C ATOM 201 O SER A 14 0.478 1.417 -7.932 1.00 25.53 O ATOM 202 CB SER A 14 -2.645 0.333 -8.216 1.00 22.51 C ATOM 203 OG SER A 14 -2.884 -0.062 -9.559 1.00 53.34 O ATOM 0 H SER A 14 -3.309 2.366 -9.570 1.00 73.01 H new ATOM 0 HA SER A 14 -1.827 1.991 -7.084 1.00 0.01 H new ATOM 0 HB2 SER A 14 -2.044 -0.427 -7.717 1.00 22.51 H new ATOM 0 HB3 SER A 14 -3.593 0.392 -7.682 1.00 22.51 H new ATOM 0 HG SER A 14 -2.646 0.672 -10.163 1.00 53.34 H new ATOM 209 N LYS A 15 -0.371 1.753 -10.024 1.00 64.15 N ATOM 210 CA LYS A 15 0.899 1.632 -10.758 1.00 11.41 C ATOM 211 C LYS A 15 1.887 2.723 -10.331 1.00 35.33 C ATOM 212 O LYS A 15 2.994 2.431 -9.858 1.00 60.22 O ATOM 213 CB LYS A 15 0.641 1.715 -12.296 1.00 12.55 C ATOM 214 CG LYS A 15 -0.024 0.462 -12.913 1.00 21.21 C ATOM 215 CD LYS A 15 0.907 -0.761 -12.865 1.00 60.25 C ATOM 216 CE LYS A 15 0.293 -2.035 -13.455 1.00 43.45 C ATOM 217 NZ LYS A 15 1.267 -3.164 -13.408 1.00 33.00 N ATOM 0 H LYS A 15 -1.166 1.966 -10.626 1.00 64.15 H new ATOM 0 HA LYS A 15 1.338 0.663 -10.521 1.00 11.41 H new ATOM 0 HB2 LYS A 15 0.009 2.580 -12.498 1.00 12.55 H new ATOM 0 HB3 LYS A 15 1.591 1.890 -12.800 1.00 12.55 H new ATOM 0 HG2 LYS A 15 -0.946 0.238 -12.376 1.00 21.21 H new ATOM 0 HG3 LYS A 15 -0.299 0.669 -13.947 1.00 21.21 H new ATOM 0 HD2 LYS A 15 1.824 -0.528 -13.406 1.00 60.25 H new ATOM 0 HD3 LYS A 15 1.187 -0.951 -11.829 1.00 60.25 H new ATOM 0 HE2 LYS A 15 -0.606 -2.301 -12.900 1.00 43.45 H new ATOM 0 HE3 LYS A 15 -0.011 -1.854 -14.486 1.00 43.45 H new ATOM 0 HZ1 LYS A 15 0.751 -4.067 -13.399 1.00 33.00 H new ATOM 0 HZ2 LYS A 15 1.883 -3.126 -14.245 1.00 33.00 H new ATOM 0 HZ3 LYS A 15 1.846 -3.087 -12.548 1.00 33.00 H new ATOM 231 N GLN A 16 1.451 3.980 -10.465 1.00 72.03 N ATOM 232 CA GLN A 16 2.312 5.140 -10.224 1.00 32.43 C ATOM 233 C GLN A 16 2.690 5.238 -8.738 1.00 54.12 C ATOM 234 O GLN A 16 3.799 5.667 -8.397 1.00 50.31 O ATOM 235 CB GLN A 16 1.631 6.436 -10.729 1.00 4.22 C ATOM 236 CG GLN A 16 1.079 6.358 -12.178 1.00 42.24 C ATOM 237 CD GLN A 16 2.054 5.835 -13.246 1.00 53.53 C ATOM 238 OE1 GLN A 16 1.630 5.207 -14.221 1.00 55.51 O ATOM 239 NE2 GLN A 16 3.348 6.104 -13.102 1.00 44.33 N ATOM 0 H GLN A 16 0.499 4.220 -10.741 1.00 72.03 H new ATOM 0 HA GLN A 16 3.236 5.012 -10.787 1.00 32.43 H new ATOM 0 HB2 GLN A 16 0.811 6.685 -10.056 1.00 4.22 H new ATOM 0 HB3 GLN A 16 2.350 7.253 -10.672 1.00 4.22 H new ATOM 0 HG2 GLN A 16 0.197 5.717 -12.175 1.00 42.24 H new ATOM 0 HG3 GLN A 16 0.748 7.354 -12.473 1.00 42.24 H new ATOM 0 HE21 GLN A 16 3.673 6.625 -12.287 1.00 44.33 H new ATOM 0 HE22 GLN A 16 4.016 5.790 -13.806 1.00 44.33 H new ATOM 248 N ALA A 17 1.761 4.781 -7.870 1.00 55.44 N ATOM 249 CA ALA A 17 1.973 4.717 -6.420 1.00 1.15 C ATOM 250 C ALA A 17 3.188 3.837 -6.068 1.00 52.41 C ATOM 251 O ALA A 17 4.028 4.234 -5.260 1.00 11.32 O ATOM 252 CB ALA A 17 0.709 4.202 -5.722 1.00 24.55 C ATOM 0 H ALA A 17 0.843 4.447 -8.163 1.00 55.44 H new ATOM 0 HA ALA A 17 2.184 5.725 -6.064 1.00 1.15 H new ATOM 0 HB1 ALA A 17 0.879 4.159 -4.646 1.00 24.55 H new ATOM 0 HB2 ALA A 17 -0.122 4.875 -5.931 1.00 24.55 H new ATOM 0 HB3 ALA A 17 0.470 3.205 -6.092 1.00 24.55 H new ATOM 258 N THR A 18 3.279 2.652 -6.704 1.00 3.54 N ATOM 259 CA THR A 18 4.355 1.675 -6.433 1.00 21.35 C ATOM 260 C THR A 18 5.695 2.116 -7.040 1.00 34.31 C ATOM 261 O THR A 18 6.759 1.770 -6.505 1.00 54.44 O ATOM 262 CB THR A 18 3.968 0.256 -6.948 1.00 43.31 C ATOM 263 OG1 THR A 18 3.716 0.296 -8.355 1.00 31.34 O ATOM 264 CG2 THR A 18 2.724 -0.284 -6.228 1.00 63.32 C ATOM 0 H THR A 18 2.615 2.346 -7.415 1.00 3.54 H new ATOM 0 HA THR A 18 4.478 1.630 -5.351 1.00 21.35 H new ATOM 0 HB THR A 18 4.805 -0.410 -6.739 1.00 43.31 H new ATOM 0 HG1 THR A 18 3.613 1.227 -8.643 1.00 31.34 H new ATOM 0 HG21 THR A 18 2.483 -1.275 -6.612 1.00 63.32 H new ATOM 0 HG22 THR A 18 2.922 -0.348 -5.158 1.00 63.32 H new ATOM 0 HG23 THR A 18 1.883 0.387 -6.402 1.00 63.32 H new ATOM 272 N ASP A 19 5.631 2.879 -8.156 1.00 1.15 N ATOM 273 CA ASP A 19 6.834 3.492 -8.779 1.00 1.02 C ATOM 274 C ASP A 19 7.512 4.468 -7.795 1.00 73.11 C ATOM 275 O ASP A 19 8.739 4.494 -7.663 1.00 35.31 O ATOM 276 CB ASP A 19 6.477 4.251 -10.094 1.00 31.42 C ATOM 277 CG ASP A 19 5.973 3.341 -11.232 1.00 65.00 C ATOM 278 OD1 ASP A 19 6.690 2.384 -11.589 1.00 20.01 O ATOM 279 OD2 ASP A 19 4.875 3.581 -11.783 1.00 64.43 O ATOM 0 H ASP A 19 4.761 3.086 -8.646 1.00 1.15 H new ATOM 0 HA ASP A 19 7.520 2.681 -9.024 1.00 1.02 H new ATOM 0 HB2 ASP A 19 5.712 4.996 -9.874 1.00 31.42 H new ATOM 0 HB3 ASP A 19 7.359 4.791 -10.439 1.00 31.42 H new ATOM 284 N MET A 20 6.679 5.262 -7.104 1.00 25.34 N ATOM 285 CA MET A 20 7.139 6.293 -6.153 1.00 51.22 C ATOM 286 C MET A 20 7.443 5.696 -4.762 1.00 62.31 C ATOM 287 O MET A 20 8.305 6.210 -4.038 1.00 74.20 O ATOM 288 CB MET A 20 6.083 7.424 -6.070 1.00 52.11 C ATOM 289 CG MET A 20 5.929 8.218 -7.378 1.00 51.20 C ATOM 290 SD MET A 20 4.670 9.514 -7.280 1.00 42.24 S ATOM 291 CE MET A 20 3.140 8.573 -7.277 1.00 33.32 C ATOM 0 H MET A 20 5.664 5.209 -7.188 1.00 25.34 H new ATOM 0 HA MET A 20 8.077 6.711 -6.518 1.00 51.22 H new ATOM 0 HB2 MET A 20 5.119 6.991 -5.802 1.00 52.11 H new ATOM 0 HB3 MET A 20 6.359 8.109 -5.269 1.00 52.11 H new ATOM 0 HG2 MET A 20 6.887 8.670 -7.636 1.00 51.20 H new ATOM 0 HG3 MET A 20 5.672 7.531 -8.185 1.00 51.20 H new ATOM 0 HE1 MET A 20 2.634 8.697 -8.235 1.00 33.32 H new ATOM 0 HE2 MET A 20 3.362 7.518 -7.118 1.00 33.32 H new ATOM 0 HE3 MET A 20 2.494 8.932 -6.476 1.00 33.32 H new ATOM 301 N GLY A 21 6.739 4.611 -4.400 1.00 63.20 N ATOM 302 CA GLY A 21 6.942 3.927 -3.120 1.00 53.23 C ATOM 303 C GLY A 21 5.627 3.490 -2.490 1.00 64.33 C ATOM 304 O GLY A 21 5.027 4.246 -1.718 1.00 31.31 O ATOM 0 H GLY A 21 6.018 4.188 -4.985 1.00 63.20 H new ATOM 0 HA2 GLY A 21 7.578 3.055 -3.272 1.00 53.23 H new ATOM 0 HA3 GLY A 21 7.469 4.590 -2.434 1.00 53.23 H new ATOM 308 N ALA A 22 5.179 2.268 -2.847 1.00 30.33 N ATOM 309 CA ALA A 22 3.978 1.626 -2.277 1.00 4.23 C ATOM 310 C ALA A 22 4.069 0.096 -2.434 1.00 4.31 C ATOM 311 O ALA A 22 4.636 -0.399 -3.417 1.00 4.44 O ATOM 312 CB ALA A 22 2.697 2.171 -2.928 1.00 63.24 C ATOM 0 H ALA A 22 5.647 1.693 -3.548 1.00 30.33 H new ATOM 0 HA ALA A 22 3.932 1.863 -1.214 1.00 4.23 H new ATOM 0 HB1 ALA A 22 1.828 1.680 -2.489 1.00 63.24 H new ATOM 0 HB2 ALA A 22 2.631 3.246 -2.758 1.00 63.24 H new ATOM 0 HB3 ALA A 22 2.721 1.974 -4.000 1.00 63.24 H new ATOM 318 N ILE A 23 3.504 -0.645 -1.455 1.00 21.11 N ATOM 319 CA ILE A 23 3.513 -2.134 -1.438 1.00 64.03 C ATOM 320 C ILE A 23 2.074 -2.684 -1.379 1.00 32.34 C ATOM 321 O ILE A 23 1.173 -2.024 -0.857 1.00 52.20 O ATOM 322 CB ILE A 23 4.334 -2.706 -0.205 1.00 14.52 C ATOM 323 CG1 ILE A 23 3.727 -2.203 1.152 1.00 52.10 C ATOM 324 CG2 ILE A 23 5.839 -2.345 -0.314 1.00 34.15 C ATOM 325 CD1 ILE A 23 4.414 -2.711 2.414 1.00 55.33 C ATOM 0 H ILE A 23 3.028 -0.233 -0.653 1.00 21.11 H new ATOM 0 HA ILE A 23 3.997 -2.458 -2.359 1.00 64.03 H new ATOM 0 HB ILE A 23 4.255 -3.793 -0.226 1.00 14.52 H new ATOM 0 HG12 ILE A 23 3.755 -1.113 1.159 1.00 52.10 H new ATOM 0 HG13 ILE A 23 2.678 -2.495 1.189 1.00 52.10 H new ATOM 0 HG21 ILE A 23 6.374 -2.751 0.545 1.00 34.15 H new ATOM 0 HG22 ILE A 23 6.249 -2.769 -1.230 1.00 34.15 H new ATOM 0 HG23 ILE A 23 5.953 -1.261 -0.333 1.00 34.15 H new ATOM 0 HD11 ILE A 23 3.913 -2.301 3.291 1.00 55.33 H new ATOM 0 HD12 ILE A 23 4.363 -3.799 2.443 1.00 55.33 H new ATOM 0 HD13 ILE A 23 5.458 -2.396 2.412 1.00 55.33 H new ATOM 337 N TYR A 24 1.872 -3.904 -1.908 1.00 61.23 N ATOM 338 CA TYR A 24 0.576 -4.607 -1.843 1.00 41.33 C ATOM 339 C TYR A 24 0.632 -5.661 -0.731 1.00 32.53 C ATOM 340 O TYR A 24 1.434 -6.600 -0.819 1.00 30.03 O ATOM 341 CB TYR A 24 0.264 -5.309 -3.187 1.00 13.33 C ATOM 342 CG TYR A 24 0.160 -4.381 -4.406 1.00 64.00 C ATOM 343 CD1 TYR A 24 -0.996 -3.641 -4.638 1.00 52.02 C ATOM 344 CD2 TYR A 24 1.196 -4.278 -5.339 1.00 35.43 C ATOM 345 CE1 TYR A 24 -1.124 -2.841 -5.759 1.00 50.11 C ATOM 346 CE2 TYR A 24 1.078 -3.473 -6.456 1.00 24.24 C ATOM 347 CZ TYR A 24 -0.082 -2.754 -6.664 1.00 73.55 C ATOM 348 OH TYR A 24 -0.196 -1.953 -7.783 1.00 62.14 O ATOM 0 H TYR A 24 2.600 -4.430 -2.392 1.00 61.23 H new ATOM 0 HA TYR A 24 -0.207 -3.877 -1.638 1.00 41.33 H new ATOM 0 HB2 TYR A 24 1.041 -6.049 -3.380 1.00 13.33 H new ATOM 0 HB3 TYR A 24 -0.675 -5.853 -3.084 1.00 13.33 H new ATOM 0 HD1 TYR A 24 -1.809 -3.693 -3.929 1.00 52.02 H new ATOM 0 HD2 TYR A 24 2.106 -4.838 -5.184 1.00 35.43 H new ATOM 0 HE1 TYR A 24 -2.035 -2.286 -5.927 1.00 50.11 H new ATOM 0 HE2 TYR A 24 1.891 -3.407 -7.164 1.00 24.24 H new ATOM 0 HH TYR A 24 0.628 -2.008 -8.310 1.00 62.14 H new ATOM 358 N VAL A 25 -0.221 -5.523 0.294 1.00 2.12 N ATOM 359 CA VAL A 25 -0.276 -6.462 1.435 1.00 71.32 C ATOM 360 C VAL A 25 -1.643 -7.181 1.503 1.00 72.35 C ATOM 361 O VAL A 25 -2.616 -6.738 0.888 1.00 14.43 O ATOM 362 CB VAL A 25 0.050 -5.739 2.805 1.00 70.22 C ATOM 363 CG1 VAL A 25 1.472 -5.119 2.798 1.00 21.51 C ATOM 364 CG2 VAL A 25 -1.012 -4.686 3.180 1.00 53.03 C ATOM 0 H VAL A 25 -0.894 -4.759 0.360 1.00 2.12 H new ATOM 0 HA VAL A 25 0.494 -7.215 1.269 1.00 71.32 H new ATOM 0 HB VAL A 25 0.023 -6.509 3.576 1.00 70.22 H new ATOM 0 HG11 VAL A 25 1.661 -4.631 3.754 1.00 21.51 H new ATOM 0 HG12 VAL A 25 2.211 -5.905 2.639 1.00 21.51 H new ATOM 0 HG13 VAL A 25 1.545 -4.385 1.996 1.00 21.51 H new ATOM 0 HG21 VAL A 25 -0.743 -4.219 4.127 1.00 53.03 H new ATOM 0 HG22 VAL A 25 -1.061 -3.925 2.401 1.00 53.03 H new ATOM 0 HG23 VAL A 25 -1.984 -5.169 3.277 1.00 53.03 H new ATOM 374 N ASN A 26 -1.690 -8.308 2.243 1.00 31.02 N ATOM 375 CA ASN A 26 -2.936 -9.086 2.466 1.00 34.05 C ATOM 376 C ASN A 26 -3.672 -8.584 3.719 1.00 55.45 C ATOM 377 O ASN A 26 -3.228 -7.624 4.363 1.00 32.20 O ATOM 378 CB ASN A 26 -2.635 -10.621 2.566 1.00 65.04 C ATOM 379 CG ASN A 26 -1.685 -11.049 3.685 1.00 22.44 C ATOM 380 OD1 ASN A 26 -0.872 -10.285 4.157 1.00 62.44 O ATOM 381 ND2 ASN A 26 -1.757 -12.305 4.085 1.00 21.12 N ATOM 0 H ASN A 26 -0.872 -8.707 2.703 1.00 31.02 H new ATOM 0 HA ASN A 26 -3.588 -8.934 1.606 1.00 34.05 H new ATOM 0 HB2 ASN A 26 -3.580 -11.148 2.698 1.00 65.04 H new ATOM 0 HB3 ASN A 26 -2.216 -10.951 1.615 1.00 65.04 H new ATOM 0 HD21 ASN A 26 -1.121 -12.648 4.804 1.00 21.12 H new ATOM 0 HD22 ASN A 26 -2.449 -12.932 3.675 1.00 21.12 H new ATOM 388 N SER A 27 -4.801 -9.255 4.057 1.00 51.25 N ATOM 389 CA SER A 27 -5.624 -8.926 5.245 1.00 10.33 C ATOM 390 C SER A 27 -4.857 -9.171 6.564 1.00 3.52 C ATOM 391 O SER A 27 -5.290 -8.725 7.635 1.00 73.45 O ATOM 392 CB SER A 27 -6.962 -9.702 5.205 1.00 32.42 C ATOM 393 OG SER A 27 -7.851 -9.258 6.221 1.00 62.41 O ATOM 0 H SER A 27 -5.165 -10.038 3.514 1.00 51.25 H new ATOM 0 HA SER A 27 -5.850 -7.860 5.213 1.00 10.33 H new ATOM 0 HB2 SER A 27 -7.430 -9.573 4.229 1.00 32.42 H new ATOM 0 HB3 SER A 27 -6.770 -10.768 5.328 1.00 32.42 H new ATOM 0 HG SER A 27 -7.335 -8.904 6.975 1.00 62.41 H new ATOM 399 N LYS A 28 -3.719 -9.886 6.477 1.00 24.35 N ATOM 400 CA LYS A 28 -2.774 -10.003 7.591 1.00 43.14 C ATOM 401 C LYS A 28 -1.881 -8.747 7.625 1.00 74.31 C ATOM 402 O LYS A 28 -1.887 -8.008 8.597 1.00 42.34 O ATOM 403 CB LYS A 28 -1.935 -11.300 7.464 1.00 44.32 C ATOM 404 CG LYS A 28 -2.781 -12.592 7.350 1.00 0.44 C ATOM 405 CD LYS A 28 -3.730 -12.794 8.554 1.00 34.23 C ATOM 406 CE LYS A 28 -4.585 -14.061 8.421 1.00 33.31 C ATOM 407 NZ LYS A 28 -5.539 -14.192 9.551 1.00 53.44 N ATOM 0 H LYS A 28 -3.436 -10.392 5.638 1.00 24.35 H new ATOM 0 HA LYS A 28 -3.320 -10.069 8.532 1.00 43.14 H new ATOM 0 HB2 LYS A 28 -1.293 -11.220 6.587 1.00 44.32 H new ATOM 0 HB3 LYS A 28 -1.280 -11.383 8.331 1.00 44.32 H new ATOM 0 HG2 LYS A 28 -3.368 -12.557 6.432 1.00 0.44 H new ATOM 0 HG3 LYS A 28 -2.115 -13.451 7.270 1.00 0.44 H new ATOM 0 HD2 LYS A 28 -3.142 -12.850 9.470 1.00 34.23 H new ATOM 0 HD3 LYS A 28 -4.383 -11.927 8.647 1.00 34.23 H new ATOM 0 HE2 LYS A 28 -5.135 -14.034 7.480 1.00 33.31 H new ATOM 0 HE3 LYS A 28 -3.937 -14.937 8.386 1.00 33.31 H new ATOM 0 HZ1 LYS A 28 -6.102 -15.058 9.431 1.00 53.44 H new ATOM 0 HZ2 LYS A 28 -5.012 -14.242 10.446 1.00 53.44 H new ATOM 0 HZ3 LYS A 28 -6.172 -13.367 9.568 1.00 53.44 H new ATOM 421 N GLY A 29 -1.141 -8.495 6.532 1.00 35.05 N ATOM 422 CA GLY A 29 -0.324 -7.272 6.404 1.00 45.45 C ATOM 423 C GLY A 29 1.064 -7.508 5.834 1.00 2.21 C ATOM 424 O GLY A 29 1.959 -6.698 6.042 1.00 44.43 O ATOM 0 H GLY A 29 -1.090 -9.118 5.726 1.00 35.05 H new ATOM 0 HA2 GLY A 29 -0.851 -6.562 5.766 1.00 45.45 H new ATOM 0 HA3 GLY A 29 -0.228 -6.808 7.386 1.00 45.45 H new ATOM 428 N ASP A 30 1.229 -8.596 5.083 1.00 62.45 N ATOM 429 CA ASP A 30 2.514 -8.973 4.457 1.00 21.23 C ATOM 430 C ASP A 30 2.373 -8.871 2.927 1.00 35.43 C ATOM 431 O ASP A 30 1.269 -9.073 2.405 1.00 31.31 O ATOM 432 CB ASP A 30 2.876 -10.430 4.864 1.00 52.41 C ATOM 433 CG ASP A 30 4.388 -10.726 4.842 1.00 45.44 C ATOM 434 OD1 ASP A 30 5.069 -10.379 3.855 1.00 64.22 O ATOM 435 OD2 ASP A 30 4.902 -11.305 5.825 1.00 64.41 O ATOM 0 H ASP A 30 0.473 -9.252 4.885 1.00 62.45 H new ATOM 0 HA ASP A 30 3.306 -8.304 4.793 1.00 21.23 H new ATOM 0 HB2 ASP A 30 2.492 -10.623 5.866 1.00 52.41 H new ATOM 0 HB3 ASP A 30 2.370 -11.122 4.190 1.00 52.41 H new ATOM 440 N ARG A 31 3.495 -8.607 2.219 1.00 61.34 N ATOM 441 CA ARG A 31 3.477 -8.416 0.754 1.00 41.42 C ATOM 442 C ARG A 31 3.071 -9.726 0.033 1.00 4.35 C ATOM 443 O ARG A 31 3.778 -10.734 0.128 1.00 22.41 O ATOM 444 CB ARG A 31 4.845 -7.905 0.184 1.00 22.45 C ATOM 445 CG ARG A 31 5.332 -6.537 0.745 1.00 33.13 C ATOM 446 CD ARG A 31 6.173 -6.670 2.029 1.00 24.54 C ATOM 447 NE ARG A 31 7.509 -7.255 1.770 1.00 35.33 N ATOM 448 CZ ARG A 31 8.074 -8.285 2.433 1.00 74.10 C ATOM 449 NH1 ARG A 31 7.447 -8.903 3.435 1.00 15.15 N ATOM 450 NH2 ARG A 31 9.289 -8.689 2.091 1.00 11.52 N ATOM 0 H ARG A 31 4.421 -8.522 2.639 1.00 61.34 H new ATOM 0 HA ARG A 31 2.734 -7.642 0.560 1.00 41.42 H new ATOM 0 HB2 ARG A 31 5.608 -8.655 0.390 1.00 22.45 H new ATOM 0 HB3 ARG A 31 4.761 -7.825 -0.900 1.00 22.45 H new ATOM 0 HG2 ARG A 31 5.923 -6.029 -0.017 1.00 33.13 H new ATOM 0 HG3 ARG A 31 4.466 -5.907 0.949 1.00 33.13 H new ATOM 0 HD2 ARG A 31 6.292 -5.688 2.486 1.00 24.54 H new ATOM 0 HD3 ARG A 31 5.639 -7.293 2.747 1.00 24.54 H new ATOM 0 HE ARG A 31 8.055 -6.838 1.016 1.00 35.33 H new ATOM 0 HH11 ARG A 31 6.515 -8.599 3.718 1.00 15.15 H new ATOM 0 HH12 ARG A 31 7.899 -9.679 3.918 1.00 15.15 H new ATOM 0 HH21 ARG A 31 9.787 -8.222 1.333 1.00 11.52 H new ATOM 0 HH22 ARG A 31 9.726 -9.467 2.586 1.00 11.52 H new ATOM 464 N ILE A 32 1.902 -9.707 -0.638 1.00 64.51 N ATOM 465 CA ILE A 32 1.449 -10.817 -1.519 1.00 20.24 C ATOM 466 C ILE A 32 2.199 -10.781 -2.860 1.00 74.52 C ATOM 467 O ILE A 32 2.385 -11.810 -3.521 1.00 74.30 O ATOM 468 CB ILE A 32 -0.107 -10.764 -1.759 1.00 34.24 C ATOM 469 CG1 ILE A 32 -0.556 -9.387 -2.361 1.00 40.01 C ATOM 470 CG2 ILE A 32 -0.844 -11.058 -0.441 1.00 74.51 C ATOM 471 CD1 ILE A 32 -2.044 -9.275 -2.659 1.00 24.41 C ATOM 0 H ILE A 32 1.244 -8.929 -0.589 1.00 64.51 H new ATOM 0 HA ILE A 32 1.677 -11.755 -1.013 1.00 20.24 H new ATOM 0 HB ILE A 32 -0.367 -11.529 -2.491 1.00 34.24 H new ATOM 0 HG12 ILE A 32 -0.279 -8.595 -1.666 1.00 40.01 H new ATOM 0 HG13 ILE A 32 -0.001 -9.211 -3.283 1.00 40.01 H new ATOM 0 HG21 ILE A 32 -1.920 -11.021 -0.610 1.00 74.51 H new ATOM 0 HG22 ILE A 32 -0.567 -12.049 -0.083 1.00 74.51 H new ATOM 0 HG23 ILE A 32 -0.568 -10.312 0.305 1.00 74.51 H new ATOM 0 HD11 ILE A 32 -2.259 -8.289 -3.072 1.00 24.41 H new ATOM 0 HD12 ILE A 32 -2.329 -10.041 -3.380 1.00 24.41 H new ATOM 0 HD13 ILE A 32 -2.611 -9.415 -1.739 1.00 24.41 H new ATOM 483 N VAL A 33 2.616 -9.569 -3.236 1.00 74.24 N ATOM 484 CA VAL A 33 3.530 -9.321 -4.345 1.00 25.20 C ATOM 485 C VAL A 33 4.427 -8.132 -3.942 1.00 24.04 C ATOM 486 O VAL A 33 3.944 -7.143 -3.362 1.00 21.42 O ATOM 487 CB VAL A 33 2.763 -9.070 -5.703 1.00 23.42 C ATOM 488 CG1 VAL A 33 1.850 -7.827 -5.643 1.00 61.45 C ATOM 489 CG2 VAL A 33 3.744 -9.018 -6.902 1.00 4.21 C ATOM 0 H VAL A 33 2.318 -8.715 -2.764 1.00 74.24 H new ATOM 0 HA VAL A 33 4.145 -10.201 -4.533 1.00 25.20 H new ATOM 0 HB VAL A 33 2.102 -9.923 -5.860 1.00 23.42 H new ATOM 0 HG11 VAL A 33 1.346 -7.699 -6.601 1.00 61.45 H new ATOM 0 HG12 VAL A 33 1.107 -7.959 -4.857 1.00 61.45 H new ATOM 0 HG13 VAL A 33 2.452 -6.944 -5.429 1.00 61.45 H new ATOM 0 HG21 VAL A 33 3.186 -8.844 -7.822 1.00 4.21 H new ATOM 0 HG22 VAL A 33 4.458 -8.208 -6.753 1.00 4.21 H new ATOM 0 HG23 VAL A 33 4.279 -9.965 -6.976 1.00 4.21 H new ATOM 499 N ASN A 34 5.733 -8.259 -4.215 1.00 42.43 N ATOM 500 CA ASN A 34 6.771 -7.314 -3.736 1.00 25.44 C ATOM 501 C ASN A 34 6.672 -5.931 -4.397 1.00 32.02 C ATOM 502 O ASN A 34 7.035 -4.908 -3.792 1.00 13.33 O ATOM 503 CB ASN A 34 8.178 -7.921 -3.979 1.00 72.53 C ATOM 504 CG ASN A 34 8.487 -8.267 -5.444 1.00 11.44 C ATOM 505 OD1 ASN A 34 9.025 -7.452 -6.189 1.00 4.22 O ATOM 506 ND2 ASN A 34 8.160 -9.484 -5.860 1.00 21.15 N ATOM 0 H ASN A 34 6.109 -9.022 -4.777 1.00 42.43 H new ATOM 0 HA ASN A 34 6.604 -7.164 -2.669 1.00 25.44 H new ATOM 0 HB2 ASN A 34 8.929 -7.217 -3.621 1.00 72.53 H new ATOM 0 HB3 ASN A 34 8.277 -8.825 -3.378 1.00 72.53 H new ATOM 0 HD21 ASN A 34 8.355 -9.764 -6.821 1.00 21.15 H new ATOM 0 HD22 ASN A 34 7.714 -10.140 -5.218 1.00 21.15 H new ATOM 513 N GLU A 35 6.161 -5.922 -5.626 1.00 23.42 N ATOM 514 CA GLU A 35 6.198 -4.749 -6.504 1.00 14.55 C ATOM 515 C GLU A 35 5.120 -4.905 -7.587 1.00 4.33 C ATOM 516 O GLU A 35 4.487 -5.965 -7.699 1.00 60.23 O ATOM 517 CB GLU A 35 7.624 -4.666 -7.121 1.00 12.51 C ATOM 518 CG GLU A 35 7.984 -3.366 -7.864 1.00 30.12 C ATOM 519 CD GLU A 35 9.435 -3.379 -8.362 1.00 42.21 C ATOM 520 OE1 GLU A 35 10.348 -3.307 -7.511 1.00 15.10 O ATOM 521 OE2 GLU A 35 9.670 -3.524 -9.585 1.00 43.43 O ATOM 0 H GLU A 35 5.706 -6.733 -6.046 1.00 23.42 H new ATOM 0 HA GLU A 35 5.992 -3.828 -5.959 1.00 14.55 H new ATOM 0 HB2 GLU A 35 8.350 -4.812 -6.321 1.00 12.51 H new ATOM 0 HB3 GLU A 35 7.743 -5.498 -7.815 1.00 12.51 H new ATOM 0 HG2 GLU A 35 7.310 -3.232 -8.710 1.00 30.12 H new ATOM 0 HG3 GLU A 35 7.835 -2.514 -7.200 1.00 30.12 H new ATOM 528 N SER A 36 4.904 -3.846 -8.373 1.00 51.53 N ATOM 529 CA SER A 36 4.019 -3.890 -9.532 1.00 32.21 C ATOM 530 C SER A 36 4.747 -4.586 -10.710 1.00 33.31 C ATOM 531 O SER A 36 5.323 -3.932 -11.587 1.00 15.14 O ATOM 532 CB SER A 36 3.561 -2.460 -9.888 1.00 14.43 C ATOM 533 OG SER A 36 2.694 -2.455 -11.000 1.00 73.31 O ATOM 0 H SER A 36 5.339 -2.936 -8.221 1.00 51.53 H new ATOM 0 HA SER A 36 3.125 -4.472 -9.307 1.00 32.21 H new ATOM 0 HB2 SER A 36 3.057 -2.015 -9.030 1.00 14.43 H new ATOM 0 HB3 SER A 36 4.432 -1.841 -10.102 1.00 14.43 H new ATOM 0 HG SER A 36 3.138 -2.023 -11.759 1.00 73.31 H new ATOM 539 N ASN A 37 4.766 -5.931 -10.657 1.00 12.10 N ATOM 540 CA ASN A 37 5.360 -6.782 -11.704 1.00 34.41 C ATOM 541 C ASN A 37 4.388 -6.888 -12.887 1.00 40.42 C ATOM 542 O ASN A 37 4.677 -6.424 -13.992 1.00 71.42 O ATOM 543 CB ASN A 37 5.674 -8.198 -11.129 1.00 10.22 C ATOM 544 CG ASN A 37 6.303 -9.171 -12.145 1.00 32.24 C ATOM 545 OD1 ASN A 37 5.986 -10.361 -12.161 1.00 21.24 O ATOM 546 ND2 ASN A 37 7.236 -8.695 -12.960 1.00 13.00 N ATOM 0 H ASN A 37 4.367 -6.460 -9.882 1.00 12.10 H new ATOM 0 HA ASN A 37 6.293 -6.336 -12.048 1.00 34.41 H new ATOM 0 HB2 ASN A 37 6.350 -8.091 -10.280 1.00 10.22 H new ATOM 0 HB3 ASN A 37 4.751 -8.635 -10.748 1.00 10.22 H new ATOM 0 HD21 ASN A 37 7.706 -9.318 -13.616 1.00 13.00 H new ATOM 0 HD22 ASN A 37 7.483 -7.706 -12.930 1.00 13.00 H new ATOM 553 N VAL A 38 3.226 -7.504 -12.616 1.00 52.24 N ATOM 554 CA VAL A 38 2.148 -7.703 -13.591 1.00 65.12 C ATOM 555 C VAL A 38 0.831 -7.970 -12.830 1.00 71.13 C ATOM 556 O VAL A 38 0.850 -8.573 -11.743 1.00 72.43 O ATOM 557 CB VAL A 38 2.481 -8.873 -14.606 1.00 34.54 C ATOM 558 CG1 VAL A 38 2.719 -10.227 -13.891 1.00 52.42 C ATOM 559 CG2 VAL A 38 1.412 -8.983 -15.721 1.00 74.32 C ATOM 0 H VAL A 38 3.008 -7.884 -11.695 1.00 52.24 H new ATOM 0 HA VAL A 38 2.041 -6.800 -14.192 1.00 65.12 H new ATOM 0 HB VAL A 38 3.423 -8.613 -15.088 1.00 34.54 H new ATOM 0 HG11 VAL A 38 2.943 -10.995 -14.631 1.00 52.42 H new ATOM 0 HG12 VAL A 38 3.558 -10.132 -13.201 1.00 52.42 H new ATOM 0 HG13 VAL A 38 1.824 -10.508 -13.337 1.00 52.42 H new ATOM 0 HG21 VAL A 38 1.674 -9.796 -16.398 1.00 74.32 H new ATOM 0 HG22 VAL A 38 0.439 -9.183 -15.273 1.00 74.32 H new ATOM 0 HG23 VAL A 38 1.369 -8.047 -16.278 1.00 74.32 H new ATOM 569 N TYR A 39 -0.306 -7.511 -13.398 1.00 34.13 N ATOM 570 CA TYR A 39 -1.635 -7.620 -12.761 1.00 11.10 C ATOM 571 C TYR A 39 -2.119 -9.082 -12.694 1.00 43.31 C ATOM 572 O TYR A 39 -3.030 -9.385 -11.932 1.00 11.12 O ATOM 573 CB TYR A 39 -2.675 -6.736 -13.514 1.00 25.43 C ATOM 574 CG TYR A 39 -3.009 -7.205 -14.949 1.00 71.44 C ATOM 575 CD1 TYR A 39 -4.008 -8.156 -15.184 1.00 62.11 C ATOM 576 CD2 TYR A 39 -2.327 -6.705 -16.063 1.00 62.13 C ATOM 577 CE1 TYR A 39 -4.300 -8.588 -16.457 1.00 73.25 C ATOM 578 CE2 TYR A 39 -2.626 -7.138 -17.342 1.00 30.13 C ATOM 579 CZ TYR A 39 -3.611 -8.079 -17.529 1.00 62.42 C ATOM 580 OH TYR A 39 -3.906 -8.520 -18.798 1.00 2.11 O ATOM 0 H TYR A 39 -0.327 -7.055 -14.310 1.00 34.13 H new ATOM 0 HA TYR A 39 -1.539 -7.258 -11.737 1.00 11.10 H new ATOM 0 HB2 TYR A 39 -3.596 -6.709 -12.932 1.00 25.43 H new ATOM 0 HB3 TYR A 39 -2.297 -5.715 -13.560 1.00 25.43 H new ATOM 0 HD1 TYR A 39 -4.561 -8.559 -14.349 1.00 62.11 H new ATOM 0 HD2 TYR A 39 -1.552 -5.966 -15.922 1.00 62.13 H new ATOM 0 HE1 TYR A 39 -5.071 -9.328 -16.613 1.00 73.25 H new ATOM 0 HE2 TYR A 39 -2.089 -6.739 -18.190 1.00 30.13 H new ATOM 0 HH TYR A 39 -3.331 -8.062 -19.446 1.00 2.11 H new ATOM 590 N THR A 40 -1.524 -9.963 -13.526 1.00 21.31 N ATOM 591 CA THR A 40 -1.914 -11.377 -13.607 1.00 31.31 C ATOM 592 C THR A 40 -1.529 -12.112 -12.310 1.00 14.52 C ATOM 593 O THR A 40 -2.388 -12.686 -11.637 1.00 21.43 O ATOM 594 CB THR A 40 -1.259 -12.070 -14.850 1.00 10.32 C ATOM 595 OG1 THR A 40 0.168 -11.997 -14.753 1.00 33.32 O ATOM 596 CG2 THR A 40 -1.701 -11.417 -16.174 1.00 0.41 C ATOM 0 H THR A 40 -0.763 -9.710 -14.156 1.00 21.31 H new ATOM 0 HA THR A 40 -2.996 -11.427 -13.728 1.00 31.31 H new ATOM 0 HB THR A 40 -1.589 -13.109 -14.852 1.00 10.32 H new ATOM 0 HG1 THR A 40 0.572 -12.433 -15.532 1.00 33.32 H new ATOM 0 HG21 THR A 40 -1.223 -11.929 -17.009 1.00 0.41 H new ATOM 0 HG22 THR A 40 -2.784 -11.493 -16.273 1.00 0.41 H new ATOM 0 HG23 THR A 40 -1.409 -10.367 -16.177 1.00 0.41 H new ATOM 604 N THR A 41 -0.232 -12.044 -11.959 1.00 63.10 N ATOM 605 CA THR A 41 0.318 -12.620 -10.719 1.00 22.41 C ATOM 606 C THR A 41 -0.355 -12.001 -9.473 1.00 11.30 C ATOM 607 O THR A 41 -0.632 -12.698 -8.491 1.00 32.00 O ATOM 608 CB THR A 41 1.863 -12.384 -10.682 1.00 14.34 C ATOM 609 OG1 THR A 41 2.444 -12.906 -11.882 1.00 3.23 O ATOM 610 CG2 THR A 41 2.548 -13.031 -9.464 1.00 30.41 C ATOM 0 H THR A 41 0.471 -11.582 -12.535 1.00 63.10 H new ATOM 0 HA THR A 41 0.114 -13.691 -10.706 1.00 22.41 H new ATOM 0 HB THR A 41 2.021 -11.309 -10.601 1.00 14.34 H new ATOM 0 HG1 THR A 41 3.413 -12.760 -11.867 1.00 3.23 H new ATOM 0 HG21 THR A 41 3.619 -12.830 -9.499 1.00 30.41 H new ATOM 0 HG22 THR A 41 2.130 -12.614 -8.548 1.00 30.41 H new ATOM 0 HG23 THR A 41 2.381 -14.108 -9.482 1.00 30.41 H new ATOM 618 N PHE A 42 -0.632 -10.685 -9.560 1.00 42.32 N ATOM 619 CA PHE A 42 -1.317 -9.924 -8.504 1.00 74.23 C ATOM 620 C PHE A 42 -2.773 -10.418 -8.317 1.00 24.51 C ATOM 621 O PHE A 42 -3.239 -10.557 -7.186 1.00 54.25 O ATOM 622 CB PHE A 42 -1.284 -8.410 -8.849 1.00 25.30 C ATOM 623 CG PHE A 42 -2.031 -7.504 -7.866 1.00 21.43 C ATOM 624 CD1 PHE A 42 -1.744 -7.546 -6.500 1.00 54.41 C ATOM 625 CD2 PHE A 42 -3.014 -6.612 -8.306 1.00 44.24 C ATOM 626 CE1 PHE A 42 -2.415 -6.734 -5.612 1.00 42.34 C ATOM 627 CE2 PHE A 42 -3.684 -5.797 -7.412 1.00 4.12 C ATOM 628 CZ PHE A 42 -3.385 -5.860 -6.068 1.00 22.34 C ATOM 0 H PHE A 42 -0.384 -10.119 -10.372 1.00 42.32 H new ATOM 0 HA PHE A 42 -0.795 -10.083 -7.560 1.00 74.23 H new ATOM 0 HB2 PHE A 42 -0.244 -8.087 -8.899 1.00 25.30 H new ATOM 0 HB3 PHE A 42 -1.709 -8.270 -9.843 1.00 25.30 H new ATOM 0 HD1 PHE A 42 -0.986 -8.224 -6.135 1.00 54.41 H new ATOM 0 HD2 PHE A 42 -3.253 -6.559 -9.358 1.00 44.24 H new ATOM 0 HE1 PHE A 42 -2.183 -6.780 -4.558 1.00 42.34 H new ATOM 0 HE2 PHE A 42 -4.440 -5.112 -7.766 1.00 4.12 H new ATOM 0 HZ PHE A 42 -3.910 -5.225 -5.369 1.00 22.34 H new ATOM 638 N ARG A 43 -3.462 -10.704 -9.443 1.00 44.43 N ATOM 639 CA ARG A 43 -4.870 -11.158 -9.444 1.00 32.22 C ATOM 640 C ARG A 43 -4.973 -12.531 -8.770 1.00 42.35 C ATOM 641 O ARG A 43 -5.790 -12.728 -7.865 1.00 13.33 O ATOM 642 CB ARG A 43 -5.428 -11.226 -10.897 1.00 15.23 C ATOM 643 CG ARG A 43 -6.949 -11.489 -10.999 1.00 12.13 C ATOM 644 CD ARG A 43 -7.418 -11.687 -12.454 1.00 62.20 C ATOM 645 NE ARG A 43 -6.942 -10.616 -13.351 1.00 74.13 N ATOM 646 CZ ARG A 43 -7.711 -9.802 -14.087 1.00 23.14 C ATOM 647 NH1 ARG A 43 -9.037 -9.892 -14.068 1.00 53.42 N ATOM 648 NH2 ARG A 43 -7.136 -8.894 -14.847 1.00 4.21 N ATOM 0 H ARG A 43 -3.058 -10.627 -10.376 1.00 44.43 H new ATOM 0 HA ARG A 43 -5.468 -10.439 -8.884 1.00 32.22 H new ATOM 0 HB2 ARG A 43 -5.202 -10.287 -11.402 1.00 15.23 H new ATOM 0 HB3 ARG A 43 -4.901 -12.013 -11.437 1.00 15.23 H new ATOM 0 HG2 ARG A 43 -7.201 -12.375 -10.416 1.00 12.13 H new ATOM 0 HG3 ARG A 43 -7.490 -10.652 -10.557 1.00 12.13 H new ATOM 0 HD2 ARG A 43 -7.060 -12.649 -12.820 1.00 62.20 H new ATOM 0 HD3 ARG A 43 -8.507 -11.721 -12.480 1.00 62.20 H new ATOM 0 HE ARG A 43 -5.933 -10.483 -13.417 1.00 74.13 H new ATOM 0 HH11 ARG A 43 -9.492 -10.593 -13.483 1.00 53.42 H new ATOM 0 HH12 ARG A 43 -9.599 -9.260 -14.638 1.00 53.42 H new ATOM 0 HH21 ARG A 43 -6.119 -8.818 -14.870 1.00 4.21 H new ATOM 0 HH22 ARG A 43 -7.707 -8.267 -15.413 1.00 4.21 H new ATOM 662 N ASN A 44 -4.086 -13.454 -9.196 1.00 24.32 N ATOM 663 CA ASN A 44 -4.000 -14.811 -8.627 1.00 14.32 C ATOM 664 C ASN A 44 -3.581 -14.771 -7.148 1.00 74.35 C ATOM 665 O ASN A 44 -3.962 -15.649 -6.390 1.00 33.41 O ATOM 666 CB ASN A 44 -3.016 -15.710 -9.430 1.00 13.41 C ATOM 667 CG ASN A 44 -3.528 -16.082 -10.828 1.00 34.43 C ATOM 668 OD1 ASN A 44 -4.347 -16.993 -10.979 1.00 71.13 O ATOM 669 ND2 ASN A 44 -3.001 -15.442 -11.854 1.00 73.41 N ATOM 0 H ASN A 44 -3.412 -13.279 -9.942 1.00 24.32 H new ATOM 0 HA ASN A 44 -4.997 -15.246 -8.697 1.00 14.32 H new ATOM 0 HB2 ASN A 44 -2.061 -15.193 -9.527 1.00 13.41 H new ATOM 0 HB3 ASN A 44 -2.828 -16.623 -8.866 1.00 13.41 H new ATOM 0 HD21 ASN A 44 -3.268 -15.696 -12.805 1.00 73.41 H new ATOM 0 HD22 ASN A 44 -2.327 -14.693 -11.696 1.00 73.41 H new ATOM 676 N ALA A 45 -2.807 -13.744 -6.754 1.00 52.20 N ATOM 677 CA ALA A 45 -2.382 -13.555 -5.352 1.00 61.14 C ATOM 678 C ALA A 45 -3.579 -13.212 -4.435 1.00 41.34 C ATOM 679 O ALA A 45 -3.578 -13.560 -3.253 1.00 52.21 O ATOM 680 CB ALA A 45 -1.306 -12.467 -5.264 1.00 14.43 C ATOM 0 H ALA A 45 -2.460 -13.027 -7.391 1.00 52.20 H new ATOM 0 HA ALA A 45 -1.960 -14.497 -5.002 1.00 61.14 H new ATOM 0 HB1 ALA A 45 -1.002 -12.339 -4.225 1.00 14.43 H new ATOM 0 HB2 ALA A 45 -0.442 -12.760 -5.861 1.00 14.43 H new ATOM 0 HB3 ALA A 45 -1.707 -11.527 -5.644 1.00 14.43 H new ATOM 686 N ILE A 46 -4.591 -12.526 -5.010 1.00 73.15 N ATOM 687 CA ILE A 46 -5.847 -12.158 -4.311 1.00 13.34 C ATOM 688 C ILE A 46 -6.862 -13.339 -4.369 1.00 53.50 C ATOM 689 O ILE A 46 -7.735 -13.471 -3.505 1.00 11.52 O ATOM 690 CB ILE A 46 -6.486 -10.858 -4.949 1.00 11.10 C ATOM 691 CG1 ILE A 46 -5.452 -9.693 -5.033 1.00 13.44 C ATOM 692 CG2 ILE A 46 -7.743 -10.393 -4.173 1.00 63.15 C ATOM 693 CD1 ILE A 46 -5.973 -8.439 -5.731 1.00 63.54 C ATOM 0 H ILE A 46 -4.561 -12.209 -5.979 1.00 73.15 H new ATOM 0 HA ILE A 46 -5.608 -11.947 -3.269 1.00 13.34 H new ATOM 0 HB ILE A 46 -6.789 -11.127 -5.961 1.00 11.10 H new ATOM 0 HG12 ILE A 46 -5.138 -9.428 -4.023 1.00 13.44 H new ATOM 0 HG13 ILE A 46 -4.566 -10.047 -5.560 1.00 13.44 H new ATOM 0 HG21 ILE A 46 -8.151 -9.498 -4.643 1.00 63.15 H new ATOM 0 HG22 ILE A 46 -8.493 -11.184 -4.187 1.00 63.15 H new ATOM 0 HG23 ILE A 46 -7.472 -10.169 -3.141 1.00 63.15 H new ATOM 0 HD11 ILE A 46 -5.191 -7.679 -5.746 1.00 63.54 H new ATOM 0 HD12 ILE A 46 -6.260 -8.684 -6.754 1.00 63.54 H new ATOM 0 HD13 ILE A 46 -6.840 -8.057 -5.193 1.00 63.54 H new ATOM 705 N LEU A 47 -6.737 -14.188 -5.406 1.00 43.11 N ATOM 706 CA LEU A 47 -7.593 -15.387 -5.588 1.00 42.11 C ATOM 707 C LEU A 47 -7.059 -16.609 -4.800 1.00 52.05 C ATOM 708 O LEU A 47 -7.791 -17.581 -4.581 1.00 41.12 O ATOM 709 CB LEU A 47 -7.708 -15.721 -7.103 1.00 70.43 C ATOM 710 CG LEU A 47 -8.415 -14.639 -7.986 1.00 72.44 C ATOM 711 CD1 LEU A 47 -8.431 -15.047 -9.473 1.00 62.51 C ATOM 712 CD2 LEU A 47 -9.841 -14.341 -7.480 1.00 62.51 C ATOM 0 H LEU A 47 -6.042 -14.067 -6.143 1.00 43.11 H new ATOM 0 HA LEU A 47 -8.581 -15.159 -5.189 1.00 42.11 H new ATOM 0 HB2 LEU A 47 -6.705 -15.886 -7.497 1.00 70.43 H new ATOM 0 HB3 LEU A 47 -8.250 -16.661 -7.209 1.00 70.43 H new ATOM 0 HG LEU A 47 -7.833 -13.721 -7.899 1.00 72.44 H new ATOM 0 HD11 LEU A 47 -8.929 -14.273 -10.057 1.00 62.51 H new ATOM 0 HD12 LEU A 47 -7.408 -15.167 -9.828 1.00 62.51 H new ATOM 0 HD13 LEU A 47 -8.968 -15.989 -9.586 1.00 62.51 H new ATOM 0 HD21 LEU A 47 -10.302 -13.586 -8.116 1.00 62.51 H new ATOM 0 HD22 LEU A 47 -10.436 -15.254 -7.511 1.00 62.51 H new ATOM 0 HD23 LEU A 47 -9.794 -13.973 -6.455 1.00 62.51 H new ATOM 724 N LYS A 48 -5.777 -16.551 -4.397 1.00 34.34 N ATOM 725 CA LYS A 48 -5.096 -17.635 -3.644 1.00 13.51 C ATOM 726 C LYS A 48 -4.998 -17.278 -2.148 1.00 74.21 C ATOM 727 O LYS A 48 -5.140 -18.138 -1.267 1.00 1.54 O ATOM 728 CB LYS A 48 -3.673 -17.833 -4.240 1.00 53.44 C ATOM 729 CG LYS A 48 -2.879 -19.038 -3.686 1.00 51.53 C ATOM 730 CD LYS A 48 -1.450 -19.139 -4.281 1.00 5.53 C ATOM 731 CE LYS A 48 -1.423 -19.279 -5.820 1.00 75.12 C ATOM 732 NZ LYS A 48 -2.076 -20.532 -6.288 1.00 3.43 N ATOM 0 H LYS A 48 -5.175 -15.748 -4.583 1.00 34.34 H new ATOM 0 HA LYS A 48 -5.671 -18.557 -3.733 1.00 13.51 H new ATOM 0 HB2 LYS A 48 -3.764 -17.946 -5.320 1.00 53.44 H new ATOM 0 HB3 LYS A 48 -3.094 -16.927 -4.062 1.00 53.44 H new ATOM 0 HG2 LYS A 48 -2.811 -18.955 -2.601 1.00 51.53 H new ATOM 0 HG3 LYS A 48 -3.424 -19.957 -3.902 1.00 51.53 H new ATOM 0 HD2 LYS A 48 -0.885 -18.252 -3.996 1.00 5.53 H new ATOM 0 HD3 LYS A 48 -0.942 -19.996 -3.839 1.00 5.53 H new ATOM 0 HE2 LYS A 48 -1.925 -18.422 -6.269 1.00 75.12 H new ATOM 0 HE3 LYS A 48 -0.389 -19.260 -6.166 1.00 75.12 H new ATOM 0 HZ1 LYS A 48 -2.032 -20.580 -7.326 1.00 3.43 H new ATOM 0 HZ2 LYS A 48 -1.583 -21.353 -5.883 1.00 3.43 H new ATOM 0 HZ3 LYS A 48 -3.070 -20.540 -5.983 1.00 3.43 H new ATOM 785 N LYS A 52 -9.637 -11.983 -0.611 1.00 21.11 N ATOM 786 CA LYS A 52 -10.279 -11.202 -1.701 1.00 61.12 C ATOM 787 C LYS A 52 -10.075 -9.675 -1.543 1.00 22.22 C ATOM 788 O LYS A 52 -10.716 -8.889 -2.257 1.00 33.01 O ATOM 789 CB LYS A 52 -11.792 -11.559 -1.874 1.00 31.53 C ATOM 790 CG LYS A 52 -12.072 -13.011 -2.316 1.00 5.12 C ATOM 791 CD LYS A 52 -11.465 -13.342 -3.700 1.00 52.42 C ATOM 792 CE LYS A 52 -11.875 -14.734 -4.210 1.00 33.13 C ATOM 793 NZ LYS A 52 -13.350 -14.857 -4.346 1.00 51.24 N ATOM 0 HA LYS A 52 -9.768 -11.496 -2.618 1.00 61.12 H new ATOM 0 HB2 LYS A 52 -12.303 -11.378 -0.929 1.00 31.53 H new ATOM 0 HB3 LYS A 52 -12.228 -10.881 -2.607 1.00 31.53 H new ATOM 0 HG2 LYS A 52 -11.666 -13.697 -1.573 1.00 5.12 H new ATOM 0 HG3 LYS A 52 -13.149 -13.175 -2.348 1.00 5.12 H new ATOM 0 HD2 LYS A 52 -11.781 -12.588 -4.421 1.00 52.42 H new ATOM 0 HD3 LYS A 52 -10.378 -13.288 -3.638 1.00 52.42 H new ATOM 0 HE2 LYS A 52 -11.404 -14.921 -5.175 1.00 33.13 H new ATOM 0 HE3 LYS A 52 -11.508 -15.496 -3.523 1.00 33.13 H new ATOM 0 HZ1 LYS A 52 -13.577 -15.684 -4.935 1.00 51.24 H new ATOM 0 HZ2 LYS A 52 -13.777 -14.974 -3.405 1.00 51.24 H new ATOM 0 HZ3 LYS A 52 -13.730 -13.999 -4.794 1.00 51.24 H new ATOM 807 N VAL A 53 -9.139 -9.260 -0.663 1.00 52.23 N ATOM 808 CA VAL A 53 -8.827 -7.837 -0.446 1.00 52.44 C ATOM 809 C VAL A 53 -7.297 -7.613 -0.337 1.00 72.44 C ATOM 810 O VAL A 53 -6.616 -8.171 0.528 1.00 22.10 O ATOM 811 CB VAL A 53 -9.586 -7.257 0.817 1.00 13.33 C ATOM 812 CG1 VAL A 53 -9.259 -8.031 2.117 1.00 11.53 C ATOM 813 CG2 VAL A 53 -9.336 -5.733 0.966 1.00 51.20 C ATOM 0 H VAL A 53 -8.585 -9.897 -0.090 1.00 52.23 H new ATOM 0 HA VAL A 53 -9.184 -7.287 -1.316 1.00 52.44 H new ATOM 0 HB VAL A 53 -10.652 -7.402 0.644 1.00 13.33 H new ATOM 0 HG11 VAL A 53 -9.806 -7.590 2.950 1.00 11.53 H new ATOM 0 HG12 VAL A 53 -9.551 -9.075 2.002 1.00 11.53 H new ATOM 0 HG13 VAL A 53 -8.189 -7.973 2.315 1.00 11.53 H new ATOM 0 HG21 VAL A 53 -9.869 -5.361 1.841 1.00 51.20 H new ATOM 0 HG22 VAL A 53 -8.268 -5.549 1.086 1.00 51.20 H new ATOM 0 HG23 VAL A 53 -9.695 -5.217 0.076 1.00 51.20 H new ATOM 823 N ALA A 54 -6.766 -6.798 -1.250 1.00 4.41 N ATOM 824 CA ALA A 54 -5.371 -6.341 -1.229 1.00 53.15 C ATOM 825 C ALA A 54 -5.346 -4.875 -0.777 1.00 34.24 C ATOM 826 O ALA A 54 -6.242 -4.096 -1.120 1.00 64.21 O ATOM 827 CB ALA A 54 -4.744 -6.494 -2.620 1.00 32.24 C ATOM 0 H ALA A 54 -7.299 -6.430 -2.038 1.00 4.41 H new ATOM 0 HA ALA A 54 -4.788 -6.945 -0.533 1.00 53.15 H new ATOM 0 HB1 ALA A 54 -3.709 -6.152 -2.592 1.00 32.24 H new ATOM 0 HB2 ALA A 54 -4.772 -7.542 -2.918 1.00 32.24 H new ATOM 0 HB3 ALA A 54 -5.304 -5.897 -3.339 1.00 32.24 H new ATOM 833 N TYR A 55 -4.337 -4.516 0.015 1.00 64.02 N ATOM 834 CA TYR A 55 -4.202 -3.176 0.595 1.00 74.33 C ATOM 835 C TYR A 55 -2.909 -2.528 0.095 1.00 5.22 C ATOM 836 O TYR A 55 -1.812 -2.996 0.415 1.00 25.43 O ATOM 837 CB TYR A 55 -4.179 -3.264 2.133 1.00 23.22 C ATOM 838 CG TYR A 55 -5.422 -3.900 2.772 1.00 75.40 C ATOM 839 CD1 TYR A 55 -6.538 -3.129 3.124 1.00 32.34 C ATOM 840 CD2 TYR A 55 -5.455 -5.263 3.074 1.00 40.42 C ATOM 841 CE1 TYR A 55 -7.628 -3.699 3.754 1.00 22.32 C ATOM 842 CE2 TYR A 55 -6.546 -5.830 3.689 1.00 75.05 C ATOM 843 CZ TYR A 55 -7.623 -5.050 4.033 1.00 24.24 C ATOM 844 OH TYR A 55 -8.693 -5.626 4.678 1.00 75.43 O ATOM 0 H TYR A 55 -3.582 -5.151 0.276 1.00 64.02 H new ATOM 0 HA TYR A 55 -5.054 -2.569 0.289 1.00 74.33 H new ATOM 0 HB2 TYR A 55 -3.302 -3.837 2.435 1.00 23.22 H new ATOM 0 HB3 TYR A 55 -4.057 -2.259 2.536 1.00 23.22 H new ATOM 0 HD1 TYR A 55 -6.546 -2.073 2.899 1.00 32.34 H new ATOM 0 HD2 TYR A 55 -4.608 -5.883 2.820 1.00 40.42 H new ATOM 0 HE1 TYR A 55 -8.478 -3.091 4.026 1.00 22.32 H new ATOM 0 HE2 TYR A 55 -6.556 -6.889 3.902 1.00 75.05 H new ATOM 0 HH TYR A 55 -8.473 -5.757 5.624 1.00 75.43 H new ATOM 854 N LEU A 56 -3.041 -1.469 -0.703 1.00 35.53 N ATOM 855 CA LEU A 56 -1.890 -0.715 -1.203 1.00 21.21 C ATOM 856 C LEU A 56 -1.491 0.346 -0.162 1.00 1.04 C ATOM 857 O LEU A 56 -2.191 1.346 0.017 1.00 63.31 O ATOM 858 CB LEU A 56 -2.233 -0.072 -2.568 1.00 54.14 C ATOM 859 CG LEU A 56 -1.071 0.691 -3.275 1.00 23.33 C ATOM 860 CD1 LEU A 56 0.117 -0.236 -3.583 1.00 74.34 C ATOM 861 CD2 LEU A 56 -1.577 1.403 -4.542 1.00 14.51 C ATOM 0 H LEU A 56 -3.942 -1.111 -1.020 1.00 35.53 H new ATOM 0 HA LEU A 56 -1.042 -1.383 -1.357 1.00 21.21 H new ATOM 0 HB2 LEU A 56 -2.587 -0.856 -3.238 1.00 54.14 H new ATOM 0 HB3 LEU A 56 -3.061 0.622 -2.423 1.00 54.14 H new ATOM 0 HG LEU A 56 -0.706 1.452 -2.585 1.00 23.33 H new ATOM 0 HD11 LEU A 56 0.905 0.334 -4.075 1.00 74.34 H new ATOM 0 HD12 LEU A 56 0.500 -0.657 -2.654 1.00 74.34 H new ATOM 0 HD13 LEU A 56 -0.211 -1.042 -4.239 1.00 74.34 H new ATOM 0 HD21 LEU A 56 -0.750 1.929 -5.019 1.00 14.51 H new ATOM 0 HD22 LEU A 56 -1.986 0.667 -5.234 1.00 14.51 H new ATOM 0 HD23 LEU A 56 -2.354 2.118 -4.272 1.00 14.51 H new ATOM 873 N VAL A 57 -0.383 0.082 0.546 1.00 44.41 N ATOM 874 CA VAL A 57 0.119 0.942 1.633 1.00 21.31 C ATOM 875 C VAL A 57 1.275 1.824 1.114 1.00 71.32 C ATOM 876 O VAL A 57 2.255 1.300 0.572 1.00 22.05 O ATOM 877 CB VAL A 57 0.613 0.071 2.859 1.00 42.42 C ATOM 878 CG1 VAL A 57 1.031 0.955 4.060 1.00 3.44 C ATOM 879 CG2 VAL A 57 -0.463 -0.962 3.272 1.00 11.43 C ATOM 0 H VAL A 57 0.196 -0.741 0.380 1.00 44.41 H new ATOM 0 HA VAL A 57 -0.698 1.579 1.972 1.00 21.31 H new ATOM 0 HB VAL A 57 1.500 -0.475 2.537 1.00 42.42 H new ATOM 0 HG11 VAL A 57 1.364 0.320 4.881 1.00 3.44 H new ATOM 0 HG12 VAL A 57 1.844 1.616 3.760 1.00 3.44 H new ATOM 0 HG13 VAL A 57 0.180 1.553 4.386 1.00 3.44 H new ATOM 0 HG21 VAL A 57 -0.100 -1.548 4.116 1.00 11.43 H new ATOM 0 HG22 VAL A 57 -1.377 -0.441 3.558 1.00 11.43 H new ATOM 0 HG23 VAL A 57 -0.672 -1.625 2.433 1.00 11.43 H new ATOM 889 N MET A 58 1.143 3.157 1.274 1.00 63.12 N ATOM 890 CA MET A 58 2.190 4.142 0.910 1.00 3.12 C ATOM 891 C MET A 58 2.303 5.215 2.004 1.00 61.21 C ATOM 892 O MET A 58 1.568 5.176 2.992 1.00 33.31 O ATOM 893 CB MET A 58 1.877 4.813 -0.462 1.00 73.23 C ATOM 894 CG MET A 58 0.669 5.778 -0.487 1.00 23.33 C ATOM 895 SD MET A 58 -0.921 4.959 -0.281 1.00 62.22 S ATOM 896 CE MET A 58 -0.984 3.974 -1.767 1.00 52.41 C ATOM 0 H MET A 58 0.303 3.586 1.662 1.00 63.12 H new ATOM 0 HA MET A 58 3.139 3.613 0.822 1.00 3.12 H new ATOM 0 HB2 MET A 58 2.761 5.362 -0.785 1.00 73.23 H new ATOM 0 HB3 MET A 58 1.704 4.027 -1.197 1.00 73.23 H new ATOM 0 HG2 MET A 58 0.791 6.518 0.304 1.00 23.33 H new ATOM 0 HG3 MET A 58 0.668 6.320 -1.433 1.00 23.33 H new ATOM 0 HE1 MET A 58 -1.910 4.183 -2.303 1.00 52.41 H new ATOM 0 HE2 MET A 58 -0.133 4.220 -2.403 1.00 52.41 H new ATOM 0 HE3 MET A 58 -0.947 2.917 -1.505 1.00 52.41 H new ATOM 906 N ASP A 59 3.245 6.159 1.819 1.00 51.35 N ATOM 907 CA ASP A 59 3.315 7.400 2.625 1.00 52.24 C ATOM 908 C ASP A 59 2.539 8.525 1.893 1.00 1.14 C ATOM 909 O ASP A 59 2.261 8.412 0.691 1.00 23.53 O ATOM 910 CB ASP A 59 4.796 7.801 2.885 1.00 73.15 C ATOM 911 CG ASP A 59 4.948 9.061 3.779 1.00 51.31 C ATOM 912 OD1 ASP A 59 4.531 9.013 4.953 1.00 4.44 O ATOM 913 OD2 ASP A 59 5.444 10.101 3.298 1.00 52.24 O ATOM 0 H ASP A 59 3.977 6.087 1.112 1.00 51.35 H new ATOM 0 HA ASP A 59 2.852 7.233 3.598 1.00 52.24 H new ATOM 0 HB2 ASP A 59 5.313 6.966 3.357 1.00 73.15 H new ATOM 0 HB3 ASP A 59 5.288 7.981 1.929 1.00 73.15 H new ATOM 918 N GLU A 60 2.203 9.599 2.634 1.00 0.21 N ATOM 919 CA GLU A 60 1.392 10.728 2.139 1.00 54.42 C ATOM 920 C GLU A 60 2.059 11.454 0.960 1.00 33.30 C ATOM 921 O GLU A 60 1.362 11.983 0.088 1.00 12.40 O ATOM 922 CB GLU A 60 1.081 11.716 3.298 1.00 61.34 C ATOM 923 CG GLU A 60 0.085 12.832 2.914 1.00 54.32 C ATOM 924 CD GLU A 60 -0.397 13.681 4.096 1.00 64.52 C ATOM 925 OE1 GLU A 60 -1.331 13.246 4.807 1.00 44.14 O ATOM 926 OE2 GLU A 60 0.137 14.794 4.301 1.00 1.32 O ATOM 0 H GLU A 60 2.491 9.708 3.606 1.00 0.21 H new ATOM 0 HA GLU A 60 0.455 10.318 1.763 1.00 54.42 H new ATOM 0 HB2 GLU A 60 0.678 11.156 4.142 1.00 61.34 H new ATOM 0 HB3 GLU A 60 2.012 12.172 3.634 1.00 61.34 H new ATOM 0 HG2 GLU A 60 0.556 13.486 2.180 1.00 54.32 H new ATOM 0 HG3 GLU A 60 -0.780 12.380 2.430 1.00 54.32 H new ATOM 933 N ARG A 61 3.410 11.441 0.936 1.00 73.33 N ATOM 934 CA ARG A 61 4.219 11.994 -0.174 1.00 61.14 C ATOM 935 C ARG A 61 3.798 11.393 -1.538 1.00 31.22 C ATOM 936 O ARG A 61 3.716 12.101 -2.552 1.00 10.23 O ATOM 937 CB ARG A 61 5.730 11.721 0.078 1.00 52.02 C ATOM 938 CG ARG A 61 6.129 10.220 0.077 1.00 34.32 C ATOM 939 CD ARG A 61 7.638 9.996 0.144 1.00 34.52 C ATOM 940 NE ARG A 61 8.002 8.568 0.059 1.00 3.13 N ATOM 941 CZ ARG A 61 8.051 7.848 -1.078 1.00 52.21 C ATOM 942 NH1 ARG A 61 7.742 8.399 -2.255 1.00 41.52 N ATOM 943 NH2 ARG A 61 8.429 6.573 -1.035 1.00 32.41 N ATOM 0 H ARG A 61 3.973 11.045 1.689 1.00 73.33 H new ATOM 0 HA ARG A 61 4.044 13.069 -0.210 1.00 61.14 H new ATOM 0 HB2 ARG A 61 6.311 12.237 -0.686 1.00 52.02 H new ATOM 0 HB3 ARG A 61 6.008 12.156 1.038 1.00 52.02 H new ATOM 0 HG2 ARG A 61 5.657 9.725 0.926 1.00 34.32 H new ATOM 0 HG3 ARG A 61 5.738 9.748 -0.824 1.00 34.32 H new ATOM 0 HD2 ARG A 61 8.119 10.539 -0.669 1.00 34.52 H new ATOM 0 HD3 ARG A 61 8.023 10.411 1.076 1.00 34.52 H new ATOM 0 HE ARG A 61 8.235 8.089 0.929 1.00 3.13 H new ATOM 0 HH11 ARG A 61 7.464 9.379 -2.302 1.00 41.52 H new ATOM 0 HH12 ARG A 61 7.784 7.840 -3.107 1.00 41.52 H new ATOM 0 HH21 ARG A 61 8.680 6.145 -0.144 1.00 32.41 H new ATOM 0 HH22 ARG A 61 8.468 6.023 -1.893 1.00 32.41 H new ATOM 957 N THR A 62 3.534 10.079 -1.532 1.00 63.54 N ATOM 958 CA THR A 62 3.129 9.321 -2.710 1.00 75.44 C ATOM 959 C THR A 62 1.648 9.602 -3.028 1.00 75.15 C ATOM 960 O THR A 62 1.275 9.739 -4.204 1.00 5.42 O ATOM 961 CB THR A 62 3.368 7.795 -2.456 1.00 15.04 C ATOM 962 OG1 THR A 62 4.741 7.562 -2.089 1.00 44.34 O ATOM 963 CG2 THR A 62 3.024 6.931 -3.670 1.00 73.35 C ATOM 0 H THR A 62 3.599 9.508 -0.689 1.00 63.54 H new ATOM 0 HA THR A 62 3.726 9.628 -3.569 1.00 75.44 H new ATOM 0 HB THR A 62 2.701 7.508 -1.643 1.00 15.04 H new ATOM 0 HG1 THR A 62 4.879 6.605 -1.931 1.00 44.34 H new ATOM 0 HG21 THR A 62 3.210 5.883 -3.435 1.00 73.35 H new ATOM 0 HG22 THR A 62 1.973 7.065 -3.926 1.00 73.35 H new ATOM 0 HG23 THR A 62 3.644 7.228 -4.516 1.00 73.35 H new ATOM 971 N TRP A 63 0.828 9.724 -1.954 1.00 41.22 N ATOM 972 CA TRP A 63 -0.614 9.997 -2.067 1.00 40.32 C ATOM 973 C TRP A 63 -0.894 11.330 -2.773 1.00 62.52 C ATOM 974 O TRP A 63 -1.892 11.427 -3.473 1.00 71.51 O ATOM 975 CB TRP A 63 -1.315 9.974 -0.682 1.00 73.53 C ATOM 976 CG TRP A 63 -2.760 10.448 -0.731 1.00 52.55 C ATOM 977 CD1 TRP A 63 -3.240 11.674 -0.341 1.00 32.32 C ATOM 978 CD2 TRP A 63 -3.890 9.727 -1.254 1.00 2.43 C ATOM 979 NE1 TRP A 63 -4.587 11.745 -0.567 1.00 4.51 N ATOM 980 CE2 TRP A 63 -5.010 10.567 -1.127 1.00 25.12 C ATOM 981 CE3 TRP A 63 -4.067 8.453 -1.803 1.00 71.31 C ATOM 982 CZ2 TRP A 63 -6.280 10.182 -1.534 1.00 22.24 C ATOM 983 CZ3 TRP A 63 -5.333 8.072 -2.210 1.00 5.32 C ATOM 984 CH2 TRP A 63 -6.424 8.935 -2.072 1.00 53.34 C ATOM 0 H TRP A 63 1.153 9.635 -0.991 1.00 41.22 H new ATOM 0 HA TRP A 63 -1.029 9.195 -2.677 1.00 40.32 H new ATOM 0 HB2 TRP A 63 -1.286 8.959 -0.285 1.00 73.53 H new ATOM 0 HB3 TRP A 63 -0.757 10.604 0.011 1.00 73.53 H new ATOM 0 HD1 TRP A 63 -2.641 12.467 0.082 1.00 32.32 H new ATOM 0 HE1 TRP A 63 -5.182 12.546 -0.353 1.00 4.51 H new ATOM 0 HE3 TRP A 63 -3.230 7.778 -1.907 1.00 71.31 H new ATOM 0 HZ2 TRP A 63 -7.125 10.846 -1.429 1.00 22.24 H new ATOM 0 HZ3 TRP A 63 -5.481 7.093 -2.641 1.00 5.32 H new ATOM 0 HH2 TRP A 63 -7.401 8.609 -2.398 1.00 53.34 H new ATOM 995 N LYS A 64 -0.020 12.344 -2.583 1.00 14.52 N ATOM 996 CA LYS A 64 -0.194 13.672 -3.219 1.00 35.13 C ATOM 997 C LYS A 64 -0.428 13.524 -4.732 1.00 73.31 C ATOM 998 O LYS A 64 -1.308 14.164 -5.300 1.00 61.32 O ATOM 999 CB LYS A 64 1.037 14.581 -2.985 1.00 73.11 C ATOM 1000 CG LYS A 64 1.422 14.794 -1.516 1.00 70.41 C ATOM 1001 CD LYS A 64 0.255 15.319 -0.648 1.00 41.35 C ATOM 1002 CE LYS A 64 0.725 15.726 0.750 1.00 33.51 C ATOM 1003 NZ LYS A 64 -0.408 16.070 1.647 1.00 34.44 N ATOM 0 H LYS A 64 0.811 12.270 -1.996 1.00 14.52 H new ATOM 0 HA LYS A 64 -1.065 14.136 -2.757 1.00 35.13 H new ATOM 0 HB2 LYS A 64 1.891 14.151 -3.509 1.00 73.11 H new ATOM 0 HB3 LYS A 64 0.842 15.553 -3.437 1.00 73.11 H new ATOM 0 HG2 LYS A 64 1.779 13.852 -1.101 1.00 70.41 H new ATOM 0 HG3 LYS A 64 2.251 15.500 -1.463 1.00 70.41 H new ATOM 0 HD2 LYS A 64 -0.207 16.175 -1.140 1.00 41.35 H new ATOM 0 HD3 LYS A 64 -0.511 14.548 -0.564 1.00 41.35 H new ATOM 0 HE2 LYS A 64 1.299 14.910 1.190 1.00 33.51 H new ATOM 0 HE3 LYS A 64 1.396 16.582 0.671 1.00 33.51 H new ATOM 0 HZ1 LYS A 64 -0.166 15.815 2.626 1.00 34.44 H new ATOM 0 HZ2 LYS A 64 -0.597 17.091 1.592 1.00 34.44 H new ATOM 0 HZ3 LYS A 64 -1.256 15.545 1.352 1.00 34.44 H new ATOM 1017 N LYS A 65 0.347 12.604 -5.337 1.00 61.32 N ATOM 1018 CA LYS A 65 0.279 12.302 -6.766 1.00 12.43 C ATOM 1019 C LYS A 65 -0.869 11.335 -7.109 1.00 54.03 C ATOM 1020 O LYS A 65 -1.440 11.450 -8.182 1.00 4.40 O ATOM 1021 CB LYS A 65 1.640 11.743 -7.262 1.00 54.52 C ATOM 1022 CG LYS A 65 2.803 12.763 -7.257 1.00 72.04 C ATOM 1023 CD LYS A 65 2.504 14.020 -8.110 1.00 75.40 C ATOM 1024 CE LYS A 65 2.125 13.680 -9.565 1.00 3.41 C ATOM 1025 NZ LYS A 65 1.848 14.906 -10.370 1.00 22.51 N ATOM 0 H LYS A 65 1.041 12.049 -4.837 1.00 61.32 H new ATOM 0 HA LYS A 65 0.067 13.236 -7.286 1.00 12.43 H new ATOM 0 HB2 LYS A 65 1.917 10.894 -6.637 1.00 54.52 H new ATOM 0 HB3 LYS A 65 1.513 11.364 -8.276 1.00 54.52 H new ATOM 0 HG2 LYS A 65 3.009 13.067 -6.231 1.00 72.04 H new ATOM 0 HG3 LYS A 65 3.705 12.280 -7.634 1.00 72.04 H new ATOM 0 HD2 LYS A 65 1.691 14.581 -7.649 1.00 75.40 H new ATOM 0 HD3 LYS A 65 3.379 14.670 -8.110 1.00 75.40 H new ATOM 0 HE2 LYS A 65 2.935 13.117 -10.029 1.00 3.41 H new ATOM 0 HE3 LYS A 65 1.245 13.036 -9.570 1.00 3.41 H new ATOM 0 HZ1 LYS A 65 2.277 14.807 -11.312 1.00 22.51 H new ATOM 0 HZ2 LYS A 65 0.820 15.031 -10.469 1.00 22.51 H new ATOM 0 HZ3 LYS A 65 2.253 15.735 -9.890 1.00 22.51 H new ATOM 1039 N VAL A 66 -1.197 10.388 -6.204 1.00 73.11 N ATOM 1040 CA VAL A 66 -2.314 9.438 -6.420 1.00 34.23 C ATOM 1041 C VAL A 66 -3.653 10.212 -6.472 1.00 73.14 C ATOM 1042 O VAL A 66 -4.384 10.120 -7.453 1.00 3.23 O ATOM 1043 CB VAL A 66 -2.357 8.320 -5.307 1.00 31.02 C ATOM 1044 CG1 VAL A 66 -3.533 7.341 -5.537 1.00 33.20 C ATOM 1045 CG2 VAL A 66 -1.012 7.557 -5.236 1.00 72.35 C ATOM 0 H VAL A 66 -0.707 10.260 -5.319 1.00 73.11 H new ATOM 0 HA VAL A 66 -2.152 8.934 -7.373 1.00 34.23 H new ATOM 0 HB VAL A 66 -2.518 8.815 -4.349 1.00 31.02 H new ATOM 0 HG11 VAL A 66 -3.534 6.583 -4.753 1.00 33.20 H new ATOM 0 HG12 VAL A 66 -4.474 7.890 -5.512 1.00 33.20 H new ATOM 0 HG13 VAL A 66 -3.420 6.859 -6.508 1.00 33.20 H new ATOM 0 HG21 VAL A 66 -1.068 6.792 -4.461 1.00 72.35 H new ATOM 0 HG22 VAL A 66 -0.810 7.085 -6.198 1.00 72.35 H new ATOM 0 HG23 VAL A 66 -0.210 8.256 -4.999 1.00 72.35 H new ATOM 1055 N TYR A 67 -3.914 10.993 -5.404 1.00 33.40 N ATOM 1056 CA TYR A 67 -5.034 11.963 -5.295 1.00 13.32 C ATOM 1057 C TYR A 67 -5.136 12.872 -6.543 1.00 50.04 C ATOM 1058 O TYR A 67 -6.231 13.093 -7.082 1.00 0.43 O ATOM 1059 CB TYR A 67 -4.799 12.824 -4.021 1.00 55.54 C ATOM 1060 CG TYR A 67 -5.894 13.853 -3.692 1.00 63.34 C ATOM 1061 CD1 TYR A 67 -7.122 13.440 -3.183 1.00 50.24 C ATOM 1062 CD2 TYR A 67 -5.701 15.229 -3.875 1.00 33.02 C ATOM 1063 CE1 TYR A 67 -8.122 14.348 -2.872 1.00 63.32 C ATOM 1064 CE2 TYR A 67 -6.699 16.140 -3.563 1.00 52.43 C ATOM 1065 CZ TYR A 67 -7.907 15.694 -3.064 1.00 63.21 C ATOM 1066 OH TYR A 67 -8.905 16.609 -2.770 1.00 24.50 O ATOM 0 H TYR A 67 -3.335 10.969 -4.564 1.00 33.40 H new ATOM 0 HA TYR A 67 -5.974 11.416 -5.227 1.00 13.32 H new ATOM 0 HB2 TYR A 67 -4.690 12.154 -3.168 1.00 55.54 H new ATOM 0 HB3 TYR A 67 -3.853 13.353 -4.133 1.00 55.54 H new ATOM 0 HD1 TYR A 67 -7.300 12.386 -3.027 1.00 50.24 H new ATOM 0 HD2 TYR A 67 -4.759 15.586 -4.265 1.00 33.02 H new ATOM 0 HE1 TYR A 67 -9.067 14.001 -2.480 1.00 63.32 H new ATOM 0 HE2 TYR A 67 -6.532 17.197 -3.710 1.00 52.43 H new ATOM 0 HH TYR A 67 -8.585 17.515 -2.963 1.00 24.50 H new ATOM 1076 N ASP A 68 -3.964 13.376 -6.969 1.00 21.53 N ATOM 1077 CA ASP A 68 -3.814 14.245 -8.149 1.00 52.53 C ATOM 1078 C ASP A 68 -4.287 13.530 -9.435 1.00 22.23 C ATOM 1079 O ASP A 68 -5.043 14.098 -10.228 1.00 23.15 O ATOM 1080 CB ASP A 68 -2.330 14.689 -8.277 1.00 34.14 C ATOM 1081 CG ASP A 68 -2.038 15.523 -9.532 1.00 34.54 C ATOM 1082 OD1 ASP A 68 -2.462 16.699 -9.584 1.00 73.12 O ATOM 1083 OD2 ASP A 68 -1.384 15.014 -10.471 1.00 2.14 O ATOM 0 H ASP A 68 -3.081 13.188 -6.495 1.00 21.53 H new ATOM 0 HA ASP A 68 -4.442 15.126 -8.019 1.00 52.53 H new ATOM 0 HB2 ASP A 68 -2.057 15.269 -7.395 1.00 34.14 H new ATOM 0 HB3 ASP A 68 -1.695 13.803 -8.285 1.00 34.14 H new ATOM 1088 N LEU A 69 -3.855 12.261 -9.596 1.00 53.35 N ATOM 1089 CA LEU A 69 -4.202 11.414 -10.759 1.00 41.15 C ATOM 1090 C LEU A 69 -5.694 11.078 -10.778 1.00 65.31 C ATOM 1091 O LEU A 69 -6.305 11.045 -11.844 1.00 11.52 O ATOM 1092 CB LEU A 69 -3.388 10.095 -10.733 1.00 5.14 C ATOM 1093 CG LEU A 69 -1.863 10.229 -10.997 1.00 34.44 C ATOM 1094 CD1 LEU A 69 -1.136 8.907 -10.691 1.00 12.45 C ATOM 1095 CD2 LEU A 69 -1.588 10.701 -12.440 1.00 74.22 C ATOM 0 H LEU A 69 -3.252 11.792 -8.920 1.00 53.35 H new ATOM 0 HA LEU A 69 -3.957 11.980 -11.657 1.00 41.15 H new ATOM 0 HB2 LEU A 69 -3.528 9.624 -9.760 1.00 5.14 H new ATOM 0 HB3 LEU A 69 -3.807 9.418 -11.478 1.00 5.14 H new ATOM 0 HG LEU A 69 -1.469 10.989 -10.323 1.00 34.44 H new ATOM 0 HD11 LEU A 69 -0.070 9.025 -10.883 1.00 12.45 H new ATOM 0 HD12 LEU A 69 -1.289 8.641 -9.645 1.00 12.45 H new ATOM 0 HD13 LEU A 69 -1.534 8.117 -11.328 1.00 12.45 H new ATOM 0 HD21 LEU A 69 -0.513 10.786 -12.596 1.00 74.22 H new ATOM 0 HD22 LEU A 69 -2.001 9.979 -13.144 1.00 74.22 H new ATOM 0 HD23 LEU A 69 -2.056 11.672 -12.600 1.00 74.22 H new ATOM 1107 N LEU A 70 -6.258 10.806 -9.584 1.00 73.02 N ATOM 1108 CA LEU A 70 -7.679 10.461 -9.424 1.00 72.34 C ATOM 1109 C LEU A 70 -8.548 11.573 -10.034 1.00 0.35 C ATOM 1110 O LEU A 70 -9.322 11.319 -10.961 1.00 10.13 O ATOM 1111 CB LEU A 70 -8.023 10.242 -7.923 1.00 1.41 C ATOM 1112 CG LEU A 70 -7.320 9.046 -7.202 1.00 61.51 C ATOM 1113 CD1 LEU A 70 -7.642 9.032 -5.692 1.00 21.11 C ATOM 1114 CD2 LEU A 70 -7.677 7.700 -7.858 1.00 42.13 C ATOM 0 H LEU A 70 -5.739 10.820 -8.706 1.00 73.02 H new ATOM 0 HA LEU A 70 -7.884 9.528 -9.949 1.00 72.34 H new ATOM 0 HB2 LEU A 70 -7.777 11.156 -7.382 1.00 1.41 H new ATOM 0 HB3 LEU A 70 -9.101 10.102 -7.839 1.00 1.41 H new ATOM 0 HG LEU A 70 -6.245 9.189 -7.311 1.00 61.51 H new ATOM 0 HD11 LEU A 70 -7.138 8.188 -5.220 1.00 21.11 H new ATOM 0 HD12 LEU A 70 -7.297 9.961 -5.238 1.00 21.11 H new ATOM 0 HD13 LEU A 70 -8.719 8.937 -5.550 1.00 21.11 H new ATOM 0 HD21 LEU A 70 -7.170 6.892 -7.330 1.00 42.13 H new ATOM 0 HD22 LEU A 70 -8.755 7.546 -7.809 1.00 42.13 H new ATOM 0 HD23 LEU A 70 -7.359 7.708 -8.901 1.00 42.13 H new ATOM 1126 N ILE A 71 -8.326 12.814 -9.553 1.00 53.12 N ATOM 1127 CA ILE A 71 -9.063 14.011 -10.004 1.00 4.41 C ATOM 1128 C ILE A 71 -8.836 14.277 -11.509 1.00 5.15 C ATOM 1129 O ILE A 71 -9.776 14.576 -12.252 1.00 74.14 O ATOM 1130 CB ILE A 71 -8.651 15.288 -9.170 1.00 41.22 C ATOM 1131 CG1 ILE A 71 -8.837 15.028 -7.644 1.00 61.34 C ATOM 1132 CG2 ILE A 71 -9.466 16.529 -9.615 1.00 43.30 C ATOM 1133 CD1 ILE A 71 -8.403 16.166 -6.740 1.00 32.31 C ATOM 0 H ILE A 71 -7.627 13.014 -8.838 1.00 53.12 H new ATOM 0 HA ILE A 71 -10.122 13.813 -9.840 1.00 4.41 H new ATOM 0 HB ILE A 71 -7.597 15.491 -9.361 1.00 41.22 H new ATOM 0 HG12 ILE A 71 -9.889 14.814 -7.453 1.00 61.34 H new ATOM 0 HG13 ILE A 71 -8.275 14.134 -7.372 1.00 61.34 H new ATOM 0 HG21 ILE A 71 -9.163 17.394 -9.025 1.00 43.30 H new ATOM 0 HG22 ILE A 71 -9.281 16.727 -10.671 1.00 43.30 H new ATOM 0 HG23 ILE A 71 -10.529 16.340 -9.462 1.00 43.30 H new ATOM 0 HD11 ILE A 71 -8.572 15.889 -5.699 1.00 32.31 H new ATOM 0 HD12 ILE A 71 -7.343 16.369 -6.894 1.00 32.31 H new ATOM 0 HD13 ILE A 71 -8.982 17.059 -6.976 1.00 32.31 H new ATOM 1145 N LEU A 72 -7.575 14.117 -11.937 1.00 53.01 N ATOM 1146 CA LEU A 72 -7.126 14.423 -13.306 1.00 42.10 C ATOM 1147 C LEU A 72 -7.776 13.466 -14.331 1.00 72.30 C ATOM 1148 O LEU A 72 -8.185 13.898 -15.416 1.00 55.23 O ATOM 1149 CB LEU A 72 -5.562 14.362 -13.340 1.00 51.42 C ATOM 1150 CG LEU A 72 -4.804 14.837 -14.639 1.00 73.44 C ATOM 1151 CD1 LEU A 72 -4.757 13.755 -15.741 1.00 11.30 C ATOM 1152 CD2 LEU A 72 -5.378 16.178 -15.173 1.00 75.40 C ATOM 0 H LEU A 72 -6.829 13.767 -11.336 1.00 53.01 H new ATOM 0 HA LEU A 72 -7.443 15.427 -13.589 1.00 42.10 H new ATOM 0 HB2 LEU A 72 -5.192 14.959 -12.507 1.00 51.42 H new ATOM 0 HB3 LEU A 72 -5.269 13.330 -13.148 1.00 51.42 H new ATOM 0 HG LEU A 72 -3.769 15.011 -14.344 1.00 73.44 H new ATOM 0 HD11 LEU A 72 -4.223 14.142 -16.609 1.00 11.30 H new ATOM 0 HD12 LEU A 72 -4.242 12.872 -15.362 1.00 11.30 H new ATOM 0 HD13 LEU A 72 -5.773 13.486 -16.031 1.00 11.30 H new ATOM 0 HD21 LEU A 72 -4.833 16.476 -16.069 1.00 75.40 H new ATOM 0 HD22 LEU A 72 -6.433 16.051 -15.416 1.00 75.40 H new ATOM 0 HD23 LEU A 72 -5.272 16.949 -14.410 1.00 75.40 H new ATOM 1164 N HIS A 73 -7.877 12.181 -13.975 1.00 34.11 N ATOM 1165 CA HIS A 73 -8.356 11.140 -14.900 1.00 72.42 C ATOM 1166 C HIS A 73 -9.890 11.090 -14.948 1.00 4.15 C ATOM 1167 O HIS A 73 -10.462 11.095 -16.046 1.00 64.31 O ATOM 1168 CB HIS A 73 -7.773 9.749 -14.540 1.00 14.34 C ATOM 1169 CG HIS A 73 -6.311 9.566 -14.890 1.00 54.32 C ATOM 1170 ND1 HIS A 73 -5.857 8.566 -15.719 1.00 12.14 N ATOM 1171 CD2 HIS A 73 -5.200 10.212 -14.459 1.00 15.23 C ATOM 1172 CE1 HIS A 73 -4.544 8.602 -15.773 1.00 53.42 C ATOM 1173 NE2 HIS A 73 -4.124 9.588 -15.023 1.00 74.50 N ATOM 0 H HIS A 73 -7.633 11.832 -13.048 1.00 34.11 H new ATOM 0 HA HIS A 73 -7.999 11.407 -15.895 1.00 72.42 H new ATOM 0 HB2 HIS A 73 -7.900 9.583 -13.470 1.00 14.34 H new ATOM 0 HB3 HIS A 73 -8.354 8.983 -15.053 1.00 14.34 H new ATOM 0 HD1 HIS A 73 -6.448 7.899 -16.215 1.00 12.14 H new ATOM 0 HD2 HIS A 73 -5.171 11.062 -13.793 1.00 15.23 H new ATOM 0 HE1 HIS A 73 -3.917 7.930 -16.341 1.00 53.42 H new ATOM 1182 N ASP A 74 -10.565 11.061 -13.774 1.00 22.11 N ATOM 1183 CA ASP A 74 -12.034 10.840 -13.737 1.00 52.52 C ATOM 1184 C ASP A 74 -12.716 11.363 -12.449 1.00 22.12 C ATOM 1185 O ASP A 74 -13.823 11.910 -12.524 1.00 24.25 O ATOM 1186 CB ASP A 74 -12.358 9.329 -13.958 1.00 61.33 C ATOM 1187 CG ASP A 74 -11.710 8.387 -12.918 1.00 43.43 C ATOM 1188 OD1 ASP A 74 -12.300 8.184 -11.830 1.00 12.13 O ATOM 1189 OD2 ASP A 74 -10.610 7.852 -13.187 1.00 71.12 O ATOM 0 H ASP A 74 -10.130 11.184 -12.860 1.00 22.11 H new ATOM 0 HA ASP A 74 -12.452 11.430 -14.553 1.00 52.52 H new ATOM 0 HB2 ASP A 74 -13.439 9.193 -13.932 1.00 61.33 H new ATOM 0 HB3 ASP A 74 -12.024 9.038 -14.954 1.00 61.33 H new ATOM 1194 N PHE A 75 -12.087 11.157 -11.276 1.00 14.13 N ATOM 1195 CA PHE A 75 -12.652 11.559 -9.960 1.00 51.32 C ATOM 1196 C PHE A 75 -12.721 13.086 -9.777 1.00 11.54 C ATOM 1197 O PHE A 75 -12.302 13.866 -10.633 1.00 73.31 O ATOM 1198 CB PHE A 75 -11.826 10.956 -8.780 1.00 13.22 C ATOM 1199 CG PHE A 75 -12.120 9.506 -8.457 1.00 62.02 C ATOM 1200 CD1 PHE A 75 -13.263 9.165 -7.737 1.00 52.05 C ATOM 1201 CD2 PHE A 75 -11.249 8.493 -8.836 1.00 70.44 C ATOM 1202 CE1 PHE A 75 -13.523 7.857 -7.407 1.00 72.14 C ATOM 1203 CE2 PHE A 75 -11.511 7.184 -8.512 1.00 0.41 C ATOM 1204 CZ PHE A 75 -12.649 6.861 -7.795 1.00 33.42 C ATOM 0 H PHE A 75 -11.174 10.708 -11.207 1.00 14.13 H new ATOM 0 HA PHE A 75 -13.668 11.164 -9.948 1.00 51.32 H new ATOM 0 HB2 PHE A 75 -10.766 11.051 -9.015 1.00 13.22 H new ATOM 0 HB3 PHE A 75 -12.009 11.554 -7.887 1.00 13.22 H new ATOM 0 HD1 PHE A 75 -13.953 9.939 -7.435 1.00 52.05 H new ATOM 0 HD2 PHE A 75 -10.356 8.737 -9.392 1.00 70.44 H new ATOM 0 HE1 PHE A 75 -14.411 7.608 -6.844 1.00 72.14 H new ATOM 0 HE2 PHE A 75 -10.827 6.406 -8.818 1.00 0.41 H new ATOM 0 HZ PHE A 75 -12.853 5.832 -7.539 1.00 33.42 H new ATOM 1214 N THR A 76 -13.251 13.475 -8.611 1.00 10.11 N ATOM 1215 CA THR A 76 -13.327 14.865 -8.151 1.00 70.15 C ATOM 1216 C THR A 76 -12.964 14.872 -6.640 1.00 15.42 C ATOM 1217 O THR A 76 -13.183 13.843 -5.966 1.00 75.30 O ATOM 1218 CB THR A 76 -14.770 15.457 -8.429 1.00 5.43 C ATOM 1219 OG1 THR A 76 -14.780 16.881 -8.323 1.00 74.11 O ATOM 1220 CG2 THR A 76 -15.829 14.895 -7.475 1.00 13.34 C ATOM 0 H THR A 76 -13.649 12.813 -7.945 1.00 10.11 H new ATOM 0 HA THR A 76 -12.627 15.503 -8.691 1.00 70.15 H new ATOM 0 HB THR A 76 -15.018 15.157 -9.447 1.00 5.43 H new ATOM 0 HG1 THR A 76 -15.683 17.216 -8.502 1.00 74.11 H new ATOM 0 HG21 THR A 76 -16.799 15.334 -7.709 1.00 13.34 H new ATOM 0 HG22 THR A 76 -15.883 13.812 -7.589 1.00 13.34 H new ATOM 0 HG23 THR A 76 -15.559 15.139 -6.447 1.00 13.34 H new ATOM 1228 N PRO A 77 -12.383 15.995 -6.079 1.00 52.10 N ATOM 1229 CA PRO A 77 -11.937 16.075 -4.650 1.00 14.23 C ATOM 1230 C PRO A 77 -12.987 15.570 -3.638 1.00 45.34 C ATOM 1231 O PRO A 77 -12.637 14.846 -2.702 1.00 15.02 O ATOM 1232 CB PRO A 77 -11.633 17.595 -4.438 1.00 30.14 C ATOM 1233 CG PRO A 77 -12.189 18.283 -5.656 1.00 75.01 C ATOM 1234 CD PRO A 77 -12.070 17.276 -6.773 1.00 34.53 C ATOM 0 HA PRO A 77 -11.078 15.427 -4.473 1.00 14.23 H new ATOM 0 HB2 PRO A 77 -12.102 17.967 -3.527 1.00 30.14 H new ATOM 0 HB3 PRO A 77 -10.562 17.772 -4.340 1.00 30.14 H new ATOM 0 HG2 PRO A 77 -13.227 18.578 -5.501 1.00 75.01 H new ATOM 0 HG3 PRO A 77 -11.630 19.191 -5.884 1.00 75.01 H new ATOM 0 HD2 PRO A 77 -12.770 17.482 -7.583 1.00 34.53 H new ATOM 0 HD3 PRO A 77 -11.071 17.269 -7.210 1.00 34.53 H new ATOM 1242 N GLU A 78 -14.272 15.918 -3.899 1.00 74.43 N ATOM 1243 CA GLU A 78 -15.404 15.653 -2.988 1.00 3.54 C ATOM 1244 C GLU A 78 -15.630 14.152 -2.743 1.00 23.21 C ATOM 1245 O GLU A 78 -15.843 13.738 -1.601 1.00 74.12 O ATOM 1246 CB GLU A 78 -16.704 16.296 -3.530 1.00 41.03 C ATOM 1247 CG GLU A 78 -16.669 17.831 -3.609 1.00 1.32 C ATOM 1248 CD GLU A 78 -18.041 18.424 -3.963 1.00 71.43 C ATOM 1249 OE1 GLU A 78 -18.403 18.444 -5.155 1.00 33.12 O ATOM 1250 OE2 GLU A 78 -18.782 18.841 -3.044 1.00 52.12 O ATOM 0 H GLU A 78 -14.550 16.395 -4.757 1.00 74.43 H new ATOM 0 HA GLU A 78 -15.143 16.105 -2.031 1.00 3.54 H new ATOM 0 HB2 GLU A 78 -16.904 15.898 -4.525 1.00 41.03 H new ATOM 0 HB3 GLU A 78 -17.536 15.996 -2.893 1.00 41.03 H new ATOM 0 HG2 GLU A 78 -16.336 18.235 -2.653 1.00 1.32 H new ATOM 0 HG3 GLU A 78 -15.938 18.138 -4.357 1.00 1.32 H new ATOM 1257 N GLU A 79 -15.581 13.347 -3.817 1.00 40.55 N ATOM 1258 CA GLU A 79 -15.876 11.900 -3.730 1.00 64.01 C ATOM 1259 C GLU A 79 -14.724 11.135 -3.055 1.00 64.31 C ATOM 1260 O GLU A 79 -14.964 10.199 -2.284 1.00 51.32 O ATOM 1261 CB GLU A 79 -16.188 11.304 -5.131 1.00 52.20 C ATOM 1262 CG GLU A 79 -17.361 11.992 -5.872 1.00 34.41 C ATOM 1263 CD GLU A 79 -18.660 12.101 -5.042 1.00 63.22 C ATOM 1264 OE1 GLU A 79 -19.441 11.127 -5.008 1.00 72.33 O ATOM 1265 OE2 GLU A 79 -18.906 13.169 -4.426 1.00 73.21 O ATOM 0 H GLU A 79 -15.341 13.669 -4.755 1.00 40.55 H new ATOM 0 HA GLU A 79 -16.765 11.784 -3.110 1.00 64.01 H new ATOM 0 HB2 GLU A 79 -15.293 11.373 -5.749 1.00 52.20 H new ATOM 0 HB3 GLU A 79 -16.417 10.244 -5.019 1.00 52.20 H new ATOM 0 HG2 GLU A 79 -17.050 12.993 -6.171 1.00 34.41 H new ATOM 0 HG3 GLU A 79 -17.573 11.438 -6.786 1.00 34.41 H new ATOM 1272 N ILE A 80 -13.485 11.577 -3.331 1.00 31.54 N ATOM 1273 CA ILE A 80 -12.257 10.969 -2.784 1.00 24.14 C ATOM 1274 C ILE A 80 -12.214 11.134 -1.252 1.00 74.03 C ATOM 1275 O ILE A 80 -11.995 10.164 -0.515 1.00 62.20 O ATOM 1276 CB ILE A 80 -10.983 11.616 -3.434 1.00 2.34 C ATOM 1277 CG1 ILE A 80 -11.042 11.508 -4.991 1.00 13.54 C ATOM 1278 CG2 ILE A 80 -9.683 10.975 -2.883 1.00 74.25 C ATOM 1279 CD1 ILE A 80 -9.940 12.258 -5.711 1.00 73.42 C ATOM 0 H ILE A 80 -13.305 12.372 -3.944 1.00 31.54 H new ATOM 0 HA ILE A 80 -12.265 9.905 -3.023 1.00 24.14 H new ATOM 0 HB ILE A 80 -10.970 12.672 -3.165 1.00 2.34 H new ATOM 0 HG12 ILE A 80 -10.993 10.456 -5.272 1.00 13.54 H new ATOM 0 HG13 ILE A 80 -12.006 11.885 -5.333 1.00 13.54 H new ATOM 0 HG21 ILE A 80 -8.819 11.444 -3.352 1.00 74.25 H new ATOM 0 HG22 ILE A 80 -9.634 11.121 -1.804 1.00 74.25 H new ATOM 0 HG23 ILE A 80 -9.681 9.908 -3.105 1.00 74.25 H new ATOM 0 HD11 ILE A 80 -10.056 12.130 -6.787 1.00 73.42 H new ATOM 0 HD12 ILE A 80 -9.999 13.318 -5.463 1.00 73.42 H new ATOM 0 HD13 ILE A 80 -8.971 11.866 -5.401 1.00 73.42 H new ATOM 1291 N LYS A 81 -12.476 12.377 -0.788 1.00 75.40 N ATOM 1292 CA LYS A 81 -12.495 12.704 0.651 1.00 30.43 C ATOM 1293 C LYS A 81 -13.721 12.075 1.343 1.00 64.43 C ATOM 1294 O LYS A 81 -13.668 11.768 2.535 1.00 54.20 O ATOM 1295 CB LYS A 81 -12.419 14.239 0.876 1.00 62.50 C ATOM 1296 CG LYS A 81 -13.616 15.053 0.337 1.00 11.44 C ATOM 1297 CD LYS A 81 -13.316 16.573 0.220 1.00 34.33 C ATOM 1298 CE LYS A 81 -13.024 17.242 1.570 1.00 25.23 C ATOM 1299 NZ LYS A 81 -12.643 18.674 1.420 1.00 41.32 N ATOM 0 H LYS A 81 -12.678 13.172 -1.395 1.00 75.40 H new ATOM 0 HA LYS A 81 -11.608 12.270 1.112 1.00 30.43 H new ATOM 0 HB2 LYS A 81 -12.327 14.427 1.946 1.00 62.50 H new ATOM 0 HB3 LYS A 81 -11.508 14.612 0.407 1.00 62.50 H new ATOM 0 HG2 LYS A 81 -13.898 14.668 -0.643 1.00 11.44 H new ATOM 0 HG3 LYS A 81 -14.473 14.907 0.995 1.00 11.44 H new ATOM 0 HD2 LYS A 81 -12.461 16.717 -0.441 1.00 34.33 H new ATOM 0 HD3 LYS A 81 -14.167 17.069 -0.246 1.00 34.33 H new ATOM 0 HE2 LYS A 81 -13.905 17.167 2.208 1.00 25.23 H new ATOM 0 HE3 LYS A 81 -12.220 16.705 2.073 1.00 25.23 H new ATOM 0 HZ1 LYS A 81 -12.455 19.083 2.357 1.00 41.32 H new ATOM 0 HZ2 LYS A 81 -11.787 18.746 0.833 1.00 41.32 H new ATOM 0 HZ3 LYS A 81 -13.420 19.194 0.964 1.00 41.32 H new ATOM 1313 N SER A 82 -14.797 11.834 0.561 1.00 11.53 N ATOM 1314 CA SER A 82 -16.017 11.149 1.043 1.00 75.14 C ATOM 1315 C SER A 82 -15.729 9.674 1.406 1.00 40.00 C ATOM 1316 O SER A 82 -16.438 9.083 2.228 1.00 14.01 O ATOM 1317 CB SER A 82 -17.131 11.244 -0.025 1.00 65.24 C ATOM 1318 OG SER A 82 -18.351 10.670 0.418 1.00 54.53 O ATOM 0 H SER A 82 -14.844 12.108 -0.420 1.00 11.53 H new ATOM 0 HA SER A 82 -16.354 11.648 1.951 1.00 75.14 H new ATOM 0 HB2 SER A 82 -17.296 12.290 -0.282 1.00 65.24 H new ATOM 0 HB3 SER A 82 -16.804 10.740 -0.934 1.00 65.24 H new ATOM 0 HG SER A 82 -19.027 10.753 -0.287 1.00 54.53 H new ATOM 1324 N PHE A 83 -14.674 9.094 0.789 1.00 24.55 N ATOM 1325 CA PHE A 83 -14.229 7.715 1.084 1.00 55.50 C ATOM 1326 C PHE A 83 -13.464 7.633 2.417 1.00 70.10 C ATOM 1327 O PHE A 83 -13.450 6.581 3.027 1.00 1.22 O ATOM 1328 CB PHE A 83 -13.363 7.145 -0.067 1.00 65.40 C ATOM 1329 CG PHE A 83 -14.119 6.960 -1.390 1.00 73.21 C ATOM 1330 CD1 PHE A 83 -15.352 6.309 -1.422 1.00 54.42 C ATOM 1331 CD2 PHE A 83 -13.597 7.431 -2.596 1.00 2.14 C ATOM 1332 CE1 PHE A 83 -16.037 6.139 -2.615 1.00 31.42 C ATOM 1333 CE2 PHE A 83 -14.280 7.261 -3.784 1.00 12.11 C ATOM 1334 CZ PHE A 83 -15.498 6.616 -3.795 1.00 35.01 C ATOM 0 H PHE A 83 -14.113 9.565 0.079 1.00 24.55 H new ATOM 0 HA PHE A 83 -15.128 7.106 1.175 1.00 55.50 H new ATOM 0 HB2 PHE A 83 -12.517 7.812 -0.235 1.00 65.40 H new ATOM 0 HB3 PHE A 83 -12.954 6.183 0.243 1.00 65.40 H new ATOM 0 HD1 PHE A 83 -15.779 5.932 -0.504 1.00 54.42 H new ATOM 0 HD2 PHE A 83 -12.643 7.937 -2.600 1.00 2.14 H new ATOM 0 HE1 PHE A 83 -16.992 5.634 -2.623 1.00 31.42 H new ATOM 0 HE2 PHE A 83 -13.859 7.634 -4.706 1.00 12.11 H new ATOM 0 HZ PHE A 83 -16.031 6.483 -4.725 1.00 35.01 H new ATOM 1344 N PHE A 84 -12.849 8.741 2.870 1.00 33.10 N ATOM 1345 CA PHE A 84 -12.120 8.775 4.172 1.00 13.43 C ATOM 1346 C PHE A 84 -13.110 8.811 5.338 1.00 52.12 C ATOM 1347 O PHE A 84 -12.905 8.168 6.373 1.00 74.25 O ATOM 1348 CB PHE A 84 -11.189 10.013 4.263 1.00 3.42 C ATOM 1349 CG PHE A 84 -9.975 9.958 3.344 1.00 22.33 C ATOM 1350 CD1 PHE A 84 -10.058 10.379 2.021 1.00 3.14 C ATOM 1351 CD2 PHE A 84 -8.748 9.497 3.814 1.00 1.22 C ATOM 1352 CE1 PHE A 84 -8.957 10.348 1.194 1.00 62.44 C ATOM 1353 CE2 PHE A 84 -7.650 9.460 2.987 1.00 2.14 C ATOM 1354 CZ PHE A 84 -7.752 9.887 1.678 1.00 33.14 C ATOM 0 H PHE A 84 -12.837 9.626 2.363 1.00 33.10 H new ATOM 0 HA PHE A 84 -11.514 7.871 4.230 1.00 13.43 H new ATOM 0 HB2 PHE A 84 -11.768 10.906 4.027 1.00 3.42 H new ATOM 0 HB3 PHE A 84 -10.846 10.119 5.292 1.00 3.42 H new ATOM 0 HD1 PHE A 84 -11.002 10.736 1.636 1.00 3.14 H new ATOM 0 HD2 PHE A 84 -8.658 9.165 4.838 1.00 1.22 H new ATOM 0 HE1 PHE A 84 -9.038 10.684 0.171 1.00 62.44 H new ATOM 0 HE2 PHE A 84 -6.705 9.096 3.363 1.00 2.14 H new ATOM 0 HZ PHE A 84 -6.886 9.860 1.033 1.00 33.14 H new ATOM 1364 N GLU A 85 -14.186 9.580 5.141 1.00 53.24 N ATOM 1365 CA GLU A 85 -15.255 9.770 6.133 1.00 15.01 C ATOM 1366 C GLU A 85 -16.418 8.777 5.894 1.00 42.11 C ATOM 1367 O GLU A 85 -17.488 8.937 6.480 1.00 44.43 O ATOM 1368 CB GLU A 85 -15.750 11.243 6.071 1.00 0.23 C ATOM 1369 CG GLU A 85 -16.260 11.669 4.683 1.00 53.45 C ATOM 1370 CD GLU A 85 -16.656 13.146 4.589 1.00 70.21 C ATOM 1371 OE1 GLU A 85 -15.750 14.008 4.512 1.00 21.11 O ATOM 1372 OE2 GLU A 85 -17.870 13.452 4.593 1.00 15.42 O ATOM 0 H GLU A 85 -14.343 10.097 4.276 1.00 53.24 H new ATOM 0 HA GLU A 85 -14.862 9.568 7.129 1.00 15.01 H new ATOM 0 HB2 GLU A 85 -16.550 11.379 6.799 1.00 0.23 H new ATOM 0 HB3 GLU A 85 -14.935 11.903 6.367 1.00 0.23 H new ATOM 0 HG2 GLU A 85 -15.485 11.464 3.944 1.00 53.45 H new ATOM 0 HG3 GLU A 85 -17.122 11.055 4.420 1.00 53.45 H new ATOM 1444 N ARG A 90 -16.648 0.341 4.409 1.00 63.42 N ATOM 1445 CA ARG A 90 -15.208 0.489 4.686 1.00 12.43 C ATOM 1446 C ARG A 90 -14.679 1.729 3.950 1.00 64.03 C ATOM 1447 O ARG A 90 -15.013 1.917 2.769 1.00 72.14 O ATOM 1448 CB ARG A 90 -14.397 -0.763 4.218 1.00 31.51 C ATOM 1449 CG ARG A 90 -12.923 -0.803 4.728 1.00 53.41 C ATOM 1450 CD ARG A 90 -11.963 -1.571 3.797 1.00 73.24 C ATOM 1451 NE ARG A 90 -12.521 -2.857 3.334 1.00 24.13 N ATOM 1452 CZ ARG A 90 -12.041 -4.071 3.632 1.00 13.54 C ATOM 1453 NH1 ARG A 90 -10.977 -4.210 4.408 1.00 71.34 N ATOM 1454 NH2 ARG A 90 -12.614 -5.143 3.121 1.00 72.10 N ATOM 0 HA ARG A 90 -15.081 0.594 5.764 1.00 12.43 H new ATOM 0 HB2 ARG A 90 -14.911 -1.662 4.558 1.00 31.51 H new ATOM 0 HB3 ARG A 90 -14.393 -0.792 3.128 1.00 31.51 H new ATOM 0 HG2 ARG A 90 -12.561 0.218 4.845 1.00 53.41 H new ATOM 0 HG3 ARG A 90 -12.902 -1.264 5.716 1.00 53.41 H new ATOM 0 HD2 ARG A 90 -11.728 -0.950 2.933 1.00 73.24 H new ATOM 0 HD3 ARG A 90 -11.025 -1.755 4.321 1.00 73.24 H new ATOM 0 HE ARG A 90 -13.345 -2.817 2.734 1.00 24.13 H new ATOM 0 HH11 ARG A 90 -10.511 -3.386 4.788 1.00 71.34 H new ATOM 0 HH12 ARG A 90 -10.623 -5.141 4.626 1.00 71.34 H new ATOM 0 HH21 ARG A 90 -13.419 -5.045 2.502 1.00 72.10 H new ATOM 0 HH22 ARG A 90 -12.252 -6.070 3.345 1.00 72.10 H new ATOM 1468 N PRO A 91 -13.890 2.619 4.633 1.00 73.21 N ATOM 1469 CA PRO A 91 -13.157 3.686 3.938 1.00 24.11 C ATOM 1470 C PRO A 91 -12.251 3.106 2.826 1.00 53.11 C ATOM 1471 O PRO A 91 -11.318 2.350 3.115 1.00 3.11 O ATOM 1472 CB PRO A 91 -12.344 4.373 5.072 1.00 63.44 C ATOM 1473 CG PRO A 91 -13.107 4.067 6.327 1.00 61.33 C ATOM 1474 CD PRO A 91 -13.690 2.685 6.112 1.00 12.10 C ATOM 0 HA PRO A 91 -13.808 4.391 3.421 1.00 24.11 H new ATOM 0 HB2 PRO A 91 -11.327 3.984 5.122 1.00 63.44 H new ATOM 0 HB3 PRO A 91 -12.266 5.448 4.908 1.00 63.44 H new ATOM 0 HG2 PRO A 91 -12.454 4.087 7.199 1.00 61.33 H new ATOM 0 HG3 PRO A 91 -13.892 4.803 6.500 1.00 61.33 H new ATOM 0 HD2 PRO A 91 -13.013 1.905 6.461 1.00 12.10 H new ATOM 0 HD3 PRO A 91 -14.629 2.557 6.650 1.00 12.10 H new ATOM 1482 N VAL A 92 -12.606 3.406 1.555 1.00 14.14 N ATOM 1483 CA VAL A 92 -11.845 2.948 0.368 1.00 22.32 C ATOM 1484 C VAL A 92 -10.430 3.545 0.398 1.00 14.33 C ATOM 1485 O VAL A 92 -9.444 2.898 0.040 1.00 2.45 O ATOM 1486 CB VAL A 92 -12.574 3.341 -0.976 1.00 20.41 C ATOM 1487 CG1 VAL A 92 -11.803 2.838 -2.225 1.00 5.23 C ATOM 1488 CG2 VAL A 92 -14.038 2.836 -0.981 1.00 60.04 C ATOM 0 H VAL A 92 -13.424 3.970 1.324 1.00 14.14 H new ATOM 0 HA VAL A 92 -11.783 1.860 0.404 1.00 22.32 H new ATOM 0 HB VAL A 92 -12.590 4.430 -1.028 1.00 20.41 H new ATOM 0 HG11 VAL A 92 -12.341 3.131 -3.127 1.00 5.23 H new ATOM 0 HG12 VAL A 92 -10.806 3.278 -2.238 1.00 5.23 H new ATOM 0 HG13 VAL A 92 -11.720 1.752 -2.188 1.00 5.23 H new ATOM 0 HG21 VAL A 92 -14.518 3.120 -1.918 1.00 60.04 H new ATOM 0 HG22 VAL A 92 -14.049 1.751 -0.882 1.00 60.04 H new ATOM 0 HG23 VAL A 92 -14.579 3.282 -0.147 1.00 60.04 H new ATOM 1498 N PHE A 93 -10.355 4.805 0.834 1.00 42.22 N ATOM 1499 CA PHE A 93 -9.094 5.499 1.083 1.00 73.52 C ATOM 1500 C PHE A 93 -8.969 5.745 2.593 1.00 50.34 C ATOM 1501 O PHE A 93 -9.785 6.464 3.180 1.00 64.53 O ATOM 1502 CB PHE A 93 -9.043 6.820 0.278 1.00 60.44 C ATOM 1503 CG PHE A 93 -9.229 6.645 -1.237 1.00 70.32 C ATOM 1504 CD1 PHE A 93 -8.553 5.639 -1.934 1.00 64.44 C ATOM 1505 CD2 PHE A 93 -10.066 7.483 -1.964 1.00 42.42 C ATOM 1506 CE1 PHE A 93 -8.715 5.480 -3.299 1.00 3.34 C ATOM 1507 CE2 PHE A 93 -10.225 7.324 -3.332 1.00 31.20 C ATOM 1508 CZ PHE A 93 -9.551 6.322 -3.998 1.00 74.41 C ATOM 0 H PHE A 93 -11.178 5.376 1.025 1.00 42.22 H new ATOM 0 HA PHE A 93 -8.251 4.892 0.753 1.00 73.52 H new ATOM 0 HB2 PHE A 93 -9.817 7.490 0.652 1.00 60.44 H new ATOM 0 HB3 PHE A 93 -8.085 7.306 0.461 1.00 60.44 H new ATOM 0 HD1 PHE A 93 -7.892 4.974 -1.397 1.00 64.44 H new ATOM 0 HD2 PHE A 93 -10.601 8.271 -1.455 1.00 42.42 H new ATOM 0 HE1 PHE A 93 -8.185 4.694 -3.817 1.00 3.34 H new ATOM 0 HE2 PHE A 93 -10.879 7.987 -3.878 1.00 31.20 H new ATOM 0 HZ PHE A 93 -9.678 6.198 -5.063 1.00 74.41 H new ATOM 1518 N VAL A 94 -7.974 5.099 3.211 1.00 45.34 N ATOM 1519 CA VAL A 94 -7.691 5.195 4.655 1.00 41.41 C ATOM 1520 C VAL A 94 -6.374 5.970 4.849 1.00 63.30 C ATOM 1521 O VAL A 94 -5.521 5.955 3.960 1.00 32.02 O ATOM 1522 CB VAL A 94 -7.558 3.751 5.289 1.00 45.24 C ATOM 1523 CG1 VAL A 94 -7.226 3.811 6.790 1.00 75.03 C ATOM 1524 CG2 VAL A 94 -8.830 2.908 5.056 1.00 42.13 C ATOM 0 H VAL A 94 -7.329 4.483 2.716 1.00 45.34 H new ATOM 0 HA VAL A 94 -8.510 5.715 5.151 1.00 41.41 H new ATOM 0 HB VAL A 94 -6.726 3.264 4.780 1.00 45.24 H new ATOM 0 HG11 VAL A 94 -7.144 2.799 7.185 1.00 75.03 H new ATOM 0 HG12 VAL A 94 -6.281 4.334 6.933 1.00 75.03 H new ATOM 0 HG13 VAL A 94 -8.018 4.343 7.317 1.00 75.03 H new ATOM 0 HG21 VAL A 94 -8.701 1.923 5.505 1.00 42.13 H new ATOM 0 HG22 VAL A 94 -9.685 3.406 5.512 1.00 42.13 H new ATOM 0 HG23 VAL A 94 -9.003 2.798 3.985 1.00 42.13 H new ATOM 1534 N LYS A 95 -6.217 6.655 5.999 1.00 60.51 N ATOM 1535 CA LYS A 95 -4.967 7.350 6.351 1.00 14.14 C ATOM 1536 C LYS A 95 -4.750 7.352 7.867 1.00 65.15 C ATOM 1537 O LYS A 95 -5.642 6.983 8.640 1.00 32.21 O ATOM 1538 CB LYS A 95 -4.963 8.801 5.823 1.00 54.25 C ATOM 1539 CG LYS A 95 -5.984 9.761 6.489 1.00 4.45 C ATOM 1540 CD LYS A 95 -5.764 11.236 6.065 1.00 13.50 C ATOM 1541 CE LYS A 95 -4.366 11.753 6.460 1.00 41.32 C ATOM 1542 NZ LYS A 95 -4.083 13.113 5.922 1.00 3.44 N ATOM 0 H LYS A 95 -6.949 6.741 6.704 1.00 60.51 H new ATOM 0 HA LYS A 95 -4.150 6.806 5.877 1.00 14.14 H new ATOM 0 HB2 LYS A 95 -3.963 9.214 5.956 1.00 54.25 H new ATOM 0 HB3 LYS A 95 -5.159 8.779 4.751 1.00 54.25 H new ATOM 0 HG2 LYS A 95 -6.995 9.455 6.222 1.00 4.45 H new ATOM 0 HG3 LYS A 95 -5.902 9.680 7.573 1.00 4.45 H new ATOM 0 HD2 LYS A 95 -5.891 11.325 4.986 1.00 13.50 H new ATOM 0 HD3 LYS A 95 -6.526 11.863 6.528 1.00 13.50 H new ATOM 0 HE2 LYS A 95 -4.284 11.772 7.547 1.00 41.32 H new ATOM 0 HE3 LYS A 95 -3.610 11.058 6.096 1.00 41.32 H new ATOM 0 HZ1 LYS A 95 -3.138 13.419 6.231 1.00 3.44 H new ATOM 0 HZ2 LYS A 95 -4.117 13.089 4.883 1.00 3.44 H new ATOM 0 HZ3 LYS A 95 -4.796 13.782 6.276 1.00 3.44 H new ATOM 1556 N GLY A 96 -3.546 7.768 8.264 1.00 51.22 N ATOM 1557 CA GLY A 96 -3.187 7.956 9.661 1.00 72.35 C ATOM 1558 C GLY A 96 -1.774 7.497 9.920 1.00 22.15 C ATOM 1559 O GLY A 96 -0.948 7.488 9.007 1.00 62.04 O ATOM 0 H GLY A 96 -2.790 7.984 7.615 1.00 51.22 H new ATOM 0 HA2 GLY A 96 -3.286 9.008 9.928 1.00 72.35 H new ATOM 0 HA3 GLY A 96 -3.877 7.400 10.296 1.00 72.35 H new ATOM 1563 N SER A 97 -1.481 7.136 11.172 1.00 70.35 N ATOM 1564 CA SER A 97 -0.213 6.478 11.528 1.00 54.45 C ATOM 1565 C SER A 97 -0.287 5.000 11.061 1.00 13.11 C ATOM 1566 O SER A 97 -1.383 4.512 10.778 1.00 2.31 O ATOM 1567 CB SER A 97 0.010 6.613 13.052 1.00 12.25 C ATOM 1568 OG SER A 97 1.312 6.215 13.438 1.00 64.21 O ATOM 0 H SER A 97 -2.107 7.288 11.963 1.00 70.35 H new ATOM 0 HA SER A 97 0.640 6.944 11.034 1.00 54.45 H new ATOM 0 HB2 SER A 97 -0.156 7.648 13.352 1.00 12.25 H new ATOM 0 HB3 SER A 97 -0.725 6.006 13.580 1.00 12.25 H new ATOM 0 HG SER A 97 1.411 6.317 14.408 1.00 64.21 H new ATOM 1574 N LEU A 98 0.871 4.305 10.982 1.00 62.00 N ATOM 1575 CA LEU A 98 0.974 2.933 10.403 1.00 14.20 C ATOM 1576 C LEU A 98 -0.067 1.951 10.998 1.00 24.10 C ATOM 1577 O LEU A 98 -0.743 1.218 10.260 1.00 51.12 O ATOM 1578 CB LEU A 98 2.414 2.372 10.607 1.00 21.30 C ATOM 1579 CG LEU A 98 2.690 0.936 10.033 1.00 50.42 C ATOM 1580 CD1 LEU A 98 2.450 0.864 8.508 1.00 71.52 C ATOM 1581 CD2 LEU A 98 4.109 0.455 10.391 1.00 50.01 C ATOM 0 H LEU A 98 1.762 4.673 11.315 1.00 62.00 H new ATOM 0 HA LEU A 98 0.758 3.021 9.338 1.00 14.20 H new ATOM 0 HB2 LEU A 98 3.119 3.065 10.148 1.00 21.30 H new ATOM 0 HB3 LEU A 98 2.628 2.360 11.676 1.00 21.30 H new ATOM 0 HG LEU A 98 1.974 0.263 10.505 1.00 50.42 H new ATOM 0 HD11 LEU A 98 2.653 -0.147 8.155 1.00 71.52 H new ATOM 0 HD12 LEU A 98 1.414 1.123 8.290 1.00 71.52 H new ATOM 0 HD13 LEU A 98 3.114 1.565 8.002 1.00 71.52 H new ATOM 0 HD21 LEU A 98 4.270 -0.542 9.980 1.00 50.01 H new ATOM 0 HD22 LEU A 98 4.843 1.143 9.972 1.00 50.01 H new ATOM 0 HD23 LEU A 98 4.220 0.423 11.475 1.00 50.01 H new ATOM 1593 N GLU A 99 -0.200 1.990 12.328 1.00 41.13 N ATOM 1594 CA GLU A 99 -1.092 1.091 13.081 1.00 33.33 C ATOM 1595 C GLU A 99 -2.540 1.589 13.024 1.00 23.25 C ATOM 1596 O GLU A 99 -3.455 0.797 12.858 1.00 33.31 O ATOM 1597 CB GLU A 99 -0.606 0.982 14.543 1.00 24.13 C ATOM 1598 CG GLU A 99 0.884 0.612 14.653 1.00 45.02 C ATOM 1599 CD GLU A 99 1.388 0.522 16.090 1.00 45.22 C ATOM 1600 OE1 GLU A 99 1.475 1.578 16.747 1.00 1.04 O ATOM 1601 OE2 GLU A 99 1.732 -0.590 16.557 1.00 4.22 O ATOM 0 H GLU A 99 0.309 2.648 12.919 1.00 41.13 H new ATOM 0 HA GLU A 99 -1.063 0.101 12.625 1.00 33.33 H new ATOM 0 HB2 GLU A 99 -0.778 1.932 15.049 1.00 24.13 H new ATOM 0 HB3 GLU A 99 -1.201 0.231 15.063 1.00 24.13 H new ATOM 0 HG2 GLU A 99 1.049 -0.345 14.159 1.00 45.02 H new ATOM 0 HG3 GLU A 99 1.474 1.354 14.116 1.00 45.02 H new ATOM 1608 N SER A 100 -2.712 2.921 13.134 1.00 42.33 N ATOM 1609 CA SER A 100 -4.027 3.588 13.093 1.00 14.51 C ATOM 1610 C SER A 100 -4.784 3.255 11.789 1.00 64.23 C ATOM 1611 O SER A 100 -5.948 2.822 11.812 1.00 50.40 O ATOM 1612 CB SER A 100 -3.816 5.116 13.219 1.00 21.22 C ATOM 1613 OG SER A 100 -3.104 5.435 14.402 1.00 53.11 O ATOM 0 H SER A 100 -1.934 3.570 13.255 1.00 42.33 H new ATOM 0 HA SER A 100 -4.634 3.227 13.923 1.00 14.51 H new ATOM 0 HB2 SER A 100 -3.269 5.484 12.351 1.00 21.22 H new ATOM 0 HB3 SER A 100 -4.782 5.621 13.225 1.00 21.22 H new ATOM 0 HG SER A 100 -2.982 6.406 14.458 1.00 53.11 H new ATOM 1619 N ALA A 101 -4.072 3.426 10.664 1.00 32.02 N ATOM 1620 CA ALA A 101 -4.590 3.177 9.317 1.00 34.51 C ATOM 1621 C ALA A 101 -4.911 1.688 9.111 1.00 42.43 C ATOM 1622 O ALA A 101 -5.838 1.349 8.380 1.00 24.51 O ATOM 1623 CB ALA A 101 -3.579 3.682 8.278 1.00 31.13 C ATOM 0 H ALA A 101 -3.104 3.747 10.669 1.00 32.02 H new ATOM 0 HA ALA A 101 -5.525 3.723 9.190 1.00 34.51 H new ATOM 0 HB1 ALA A 101 -3.964 3.497 7.275 1.00 31.13 H new ATOM 0 HB2 ALA A 101 -3.421 4.752 8.414 1.00 31.13 H new ATOM 0 HB3 ALA A 101 -2.633 3.156 8.406 1.00 31.13 H new ATOM 1629 N ALA A 102 -4.143 0.815 9.789 1.00 74.23 N ATOM 1630 CA ALA A 102 -4.334 -0.642 9.745 1.00 63.33 C ATOM 1631 C ALA A 102 -5.677 -1.044 10.366 1.00 50.30 C ATOM 1632 O ALA A 102 -6.420 -1.849 9.803 1.00 11.12 O ATOM 1633 CB ALA A 102 -3.191 -1.324 10.490 1.00 63.43 C ATOM 0 H ALA A 102 -3.368 1.105 10.386 1.00 74.23 H new ATOM 0 HA ALA A 102 -4.338 -0.960 8.702 1.00 63.33 H new ATOM 0 HB1 ALA A 102 -3.330 -2.405 10.459 1.00 63.43 H new ATOM 0 HB2 ALA A 102 -2.243 -1.066 10.017 1.00 63.43 H new ATOM 0 HB3 ALA A 102 -3.182 -0.989 11.527 1.00 63.43 H new ATOM 1639 N GLU A 103 -5.962 -0.441 11.530 1.00 2.13 N ATOM 1640 CA GLU A 103 -7.191 -0.682 12.311 1.00 30.22 C ATOM 1641 C GLU A 103 -8.436 -0.230 11.530 1.00 31.52 C ATOM 1642 O GLU A 103 -9.454 -0.925 11.501 1.00 12.33 O ATOM 1643 CB GLU A 103 -7.090 0.079 13.658 1.00 40.15 C ATOM 1644 CG GLU A 103 -5.865 -0.304 14.499 1.00 20.12 C ATOM 1645 CD GLU A 103 -5.700 0.544 15.767 1.00 75.11 C ATOM 1646 OE1 GLU A 103 -5.096 1.632 15.687 1.00 23.41 O ATOM 1647 OE2 GLU A 103 -6.185 0.132 16.849 1.00 43.04 O ATOM 0 H GLU A 103 -5.337 0.239 11.964 1.00 2.13 H new ATOM 0 HA GLU A 103 -7.290 -1.751 12.501 1.00 30.22 H new ATOM 0 HB2 GLU A 103 -7.060 1.150 13.457 1.00 40.15 H new ATOM 0 HB3 GLU A 103 -7.992 -0.111 14.240 1.00 40.15 H new ATOM 0 HG2 GLU A 103 -5.943 -1.354 14.782 1.00 20.12 H new ATOM 0 HG3 GLU A 103 -4.969 -0.205 13.886 1.00 20.12 H new ATOM 1654 N GLN A 104 -8.310 0.944 10.887 1.00 31.12 N ATOM 1655 CA GLN A 104 -9.382 1.552 10.075 1.00 70.13 C ATOM 1656 C GLN A 104 -9.616 0.773 8.758 1.00 20.54 C ATOM 1657 O GLN A 104 -10.732 0.771 8.232 1.00 42.20 O ATOM 1658 CB GLN A 104 -9.025 3.026 9.762 1.00 64.22 C ATOM 1659 CG GLN A 104 -8.896 3.949 10.988 1.00 31.11 C ATOM 1660 CD GLN A 104 -8.413 5.351 10.608 1.00 64.43 C ATOM 1661 OE1 GLN A 104 -9.207 6.236 10.290 1.00 51.33 O ATOM 1662 NE2 GLN A 104 -7.106 5.557 10.623 1.00 41.53 N ATOM 0 H GLN A 104 -7.457 1.502 10.915 1.00 31.12 H new ATOM 0 HA GLN A 104 -10.306 1.510 10.652 1.00 70.13 H new ATOM 0 HB2 GLN A 104 -8.083 3.045 9.213 1.00 64.22 H new ATOM 0 HB3 GLN A 104 -9.788 3.434 9.100 1.00 64.22 H new ATOM 0 HG2 GLN A 104 -9.861 4.022 11.489 1.00 31.11 H new ATOM 0 HG3 GLN A 104 -8.200 3.508 11.701 1.00 31.11 H new ATOM 0 HE21 GLN A 104 -6.474 4.803 10.891 1.00 41.53 H new ATOM 0 HE22 GLN A 104 -6.731 6.470 10.366 1.00 41.53 H new ATOM 1671 N ALA A 105 -8.555 0.136 8.228 1.00 24.51 N ATOM 1672 CA ALA A 105 -8.621 -0.627 6.961 1.00 74.14 C ATOM 1673 C ALA A 105 -9.100 -2.073 7.184 1.00 61.03 C ATOM 1674 O ALA A 105 -9.693 -2.669 6.287 1.00 15.31 O ATOM 1675 CB ALA A 105 -7.254 -0.618 6.269 1.00 72.55 C ATOM 0 H ALA A 105 -7.631 0.134 8.661 1.00 24.51 H new ATOM 0 HA ALA A 105 -9.353 -0.138 6.319 1.00 74.14 H new ATOM 0 HB1 ALA A 105 -7.314 -1.182 5.338 1.00 72.55 H new ATOM 0 HB2 ALA A 105 -6.963 0.410 6.053 1.00 72.55 H new ATOM 0 HB3 ALA A 105 -6.512 -1.075 6.923 1.00 72.55 H new ATOM 1681 N GLY A 106 -8.834 -2.623 8.384 1.00 70.44 N ATOM 1682 CA GLY A 106 -9.187 -4.014 8.709 1.00 62.43 C ATOM 1683 C GLY A 106 -8.065 -4.984 8.364 1.00 61.31 C ATOM 1684 O GLY A 106 -8.274 -5.985 7.661 1.00 51.21 O ATOM 0 H GLY A 106 -8.375 -2.122 9.145 1.00 70.44 H new ATOM 0 HA2 GLY A 106 -9.418 -4.090 9.771 1.00 62.43 H new ATOM 0 HA3 GLY A 106 -10.089 -4.295 8.166 1.00 62.43 H new ATOM 1688 N ILE A 107 -6.854 -4.653 8.846 1.00 35.44 N ATOM 1689 CA ILE A 107 -5.628 -5.459 8.649 1.00 54.14 C ATOM 1690 C ILE A 107 -5.019 -5.765 10.035 1.00 1.42 C ATOM 1691 O ILE A 107 -5.284 -5.030 11.000 1.00 22.41 O ATOM 1692 CB ILE A 107 -4.543 -4.697 7.777 1.00 71.41 C ATOM 1693 CG1 ILE A 107 -5.176 -3.720 6.752 1.00 32.01 C ATOM 1694 CG2 ILE A 107 -3.642 -5.702 7.027 1.00 42.44 C ATOM 1695 CD1 ILE A 107 -4.159 -2.915 5.961 1.00 32.35 C ATOM 0 H ILE A 107 -6.693 -3.806 9.392 1.00 35.44 H new ATOM 0 HA ILE A 107 -5.904 -6.371 8.119 1.00 54.14 H new ATOM 0 HB ILE A 107 -3.948 -4.110 8.476 1.00 71.41 H new ATOM 0 HG12 ILE A 107 -5.795 -4.288 6.057 1.00 32.01 H new ATOM 0 HG13 ILE A 107 -5.837 -3.033 7.280 1.00 32.01 H new ATOM 0 HG21 ILE A 107 -2.905 -5.159 6.435 1.00 42.44 H new ATOM 0 HG22 ILE A 107 -3.130 -6.340 7.748 1.00 42.44 H new ATOM 0 HG23 ILE A 107 -4.254 -6.318 6.368 1.00 42.44 H new ATOM 0 HD11 ILE A 107 -4.678 -2.255 5.266 1.00 32.35 H new ATOM 0 HD12 ILE A 107 -3.556 -2.318 6.645 1.00 32.35 H new ATOM 0 HD13 ILE A 107 -3.512 -3.593 5.404 1.00 32.35 H new ATOM 1707 N VAL A 108 -4.201 -6.834 10.135 1.00 72.44 N ATOM 1708 CA VAL A 108 -3.516 -7.179 11.394 1.00 34.31 C ATOM 1709 C VAL A 108 -2.283 -6.268 11.576 1.00 35.14 C ATOM 1710 O VAL A 108 -1.278 -6.386 10.844 1.00 21.44 O ATOM 1711 CB VAL A 108 -3.096 -8.693 11.447 1.00 21.03 C ATOM 1712 CG1 VAL A 108 -2.465 -9.058 12.813 1.00 20.31 C ATOM 1713 CG2 VAL A 108 -4.287 -9.618 11.105 1.00 41.43 C ATOM 0 H VAL A 108 -4.001 -7.469 9.362 1.00 72.44 H new ATOM 0 HA VAL A 108 -4.217 -7.017 12.213 1.00 34.31 H new ATOM 0 HB VAL A 108 -2.332 -8.850 10.686 1.00 21.03 H new ATOM 0 HG11 VAL A 108 -2.186 -10.112 12.815 1.00 20.31 H new ATOM 0 HG12 VAL A 108 -1.577 -8.448 12.978 1.00 20.31 H new ATOM 0 HG13 VAL A 108 -3.187 -8.872 13.608 1.00 20.31 H new ATOM 0 HG21 VAL A 108 -3.964 -10.658 11.150 1.00 41.43 H new ATOM 0 HG22 VAL A 108 -5.091 -9.456 11.823 1.00 41.43 H new ATOM 0 HG23 VAL A 108 -4.646 -9.393 10.101 1.00 41.43 H new ATOM 1723 N VAL A 109 -2.403 -5.350 12.547 1.00 32.11 N ATOM 1724 CA VAL A 109 -1.359 -4.379 12.920 1.00 51.54 C ATOM 1725 C VAL A 109 0.002 -5.071 13.167 1.00 61.32 C ATOM 1726 O VAL A 109 1.021 -4.669 12.602 1.00 63.31 O ATOM 1727 CB VAL A 109 -1.803 -3.582 14.211 1.00 31.01 C ATOM 1728 CG1 VAL A 109 -0.697 -2.640 14.725 1.00 3.33 C ATOM 1729 CG2 VAL A 109 -3.117 -2.799 13.962 1.00 73.22 C ATOM 0 H VAL A 109 -3.249 -5.259 13.109 1.00 32.11 H new ATOM 0 HA VAL A 109 -1.233 -3.686 12.088 1.00 51.54 H new ATOM 0 HB VAL A 109 -1.985 -4.323 14.990 1.00 31.01 H new ATOM 0 HG11 VAL A 109 -1.050 -2.115 15.613 1.00 3.33 H new ATOM 0 HG12 VAL A 109 0.189 -3.223 14.976 1.00 3.33 H new ATOM 0 HG13 VAL A 109 -0.447 -1.915 13.950 1.00 3.33 H new ATOM 0 HG21 VAL A 109 -3.397 -2.261 14.868 1.00 73.22 H new ATOM 0 HG22 VAL A 109 -2.969 -2.088 13.149 1.00 73.22 H new ATOM 0 HG23 VAL A 109 -3.911 -3.496 13.694 1.00 73.22 H new ATOM 1739 N ASP A 110 -0.043 -6.151 13.969 1.00 32.51 N ATOM 1740 CA ASP A 110 1.137 -6.928 14.402 1.00 64.13 C ATOM 1741 C ASP A 110 1.971 -7.420 13.204 1.00 72.54 C ATOM 1742 O ASP A 110 3.203 -7.389 13.248 1.00 43.34 O ATOM 1743 CB ASP A 110 0.679 -8.131 15.274 1.00 61.21 C ATOM 1744 CG ASP A 110 1.848 -8.889 15.936 1.00 12.23 C ATOM 1745 OD1 ASP A 110 2.326 -8.445 17.005 1.00 21.34 O ATOM 1746 OD2 ASP A 110 2.291 -9.924 15.402 1.00 23.55 O ATOM 0 H ASP A 110 -0.919 -6.517 14.343 1.00 32.51 H new ATOM 0 HA ASP A 110 1.776 -6.271 14.992 1.00 64.13 H new ATOM 0 HB2 ASP A 110 0.003 -7.771 16.050 1.00 61.21 H new ATOM 0 HB3 ASP A 110 0.111 -8.824 14.654 1.00 61.21 H new ATOM 1751 N GLU A 111 1.272 -7.843 12.132 1.00 52.42 N ATOM 1752 CA GLU A 111 1.917 -8.326 10.900 1.00 74.22 C ATOM 1753 C GLU A 111 2.607 -7.170 10.153 1.00 51.54 C ATOM 1754 O GLU A 111 3.817 -7.217 9.932 1.00 44.12 O ATOM 1755 CB GLU A 111 0.892 -9.019 9.965 1.00 73.05 C ATOM 1756 CG GLU A 111 0.161 -10.229 10.574 1.00 63.31 C ATOM 1757 CD GLU A 111 1.075 -11.422 10.883 1.00 74.44 C ATOM 1758 OE1 GLU A 111 1.444 -12.153 9.940 1.00 40.32 O ATOM 1759 OE2 GLU A 111 1.416 -11.637 12.064 1.00 44.31 O ATOM 0 H GLU A 111 0.253 -7.859 12.098 1.00 52.42 H new ATOM 0 HA GLU A 111 2.671 -9.058 11.191 1.00 74.22 H new ATOM 0 HB2 GLU A 111 0.149 -8.283 9.658 1.00 73.05 H new ATOM 0 HB3 GLU A 111 1.410 -9.344 9.063 1.00 73.05 H new ATOM 0 HG2 GLU A 111 -0.334 -9.916 11.494 1.00 63.31 H new ATOM 0 HG3 GLU A 111 -0.620 -10.552 9.886 1.00 63.31 H new ATOM 1766 N LEU A 112 1.826 -6.117 9.790 1.00 23.41 N ATOM 1767 CA LEU A 112 2.320 -5.039 8.886 1.00 1.42 C ATOM 1768 C LEU A 112 3.371 -4.117 9.519 1.00 71.14 C ATOM 1769 O LEU A 112 4.150 -3.494 8.800 1.00 63.32 O ATOM 1770 CB LEU A 112 1.146 -4.232 8.276 1.00 20.21 C ATOM 1771 CG LEU A 112 0.085 -3.639 9.263 1.00 31.41 C ATOM 1772 CD1 LEU A 112 0.537 -2.322 9.940 1.00 72.32 C ATOM 1773 CD2 LEU A 112 -1.258 -3.454 8.552 1.00 73.23 C ATOM 0 H LEU A 112 0.864 -5.991 10.104 1.00 23.41 H new ATOM 0 HA LEU A 112 2.842 -5.554 8.079 1.00 1.42 H new ATOM 0 HB2 LEU A 112 1.568 -3.408 7.701 1.00 20.21 H new ATOM 0 HB3 LEU A 112 0.624 -4.879 7.571 1.00 20.21 H new ATOM 0 HG LEU A 112 -0.028 -4.365 10.068 1.00 31.41 H new ATOM 0 HD11 LEU A 112 -0.247 -1.969 10.610 1.00 72.32 H new ATOM 0 HD12 LEU A 112 1.448 -2.500 10.511 1.00 72.32 H new ATOM 0 HD13 LEU A 112 0.729 -1.568 9.177 1.00 72.32 H new ATOM 0 HD21 LEU A 112 -1.986 -3.041 9.251 1.00 73.23 H new ATOM 0 HD22 LEU A 112 -1.134 -2.771 7.712 1.00 73.23 H new ATOM 0 HD23 LEU A 112 -1.612 -4.418 8.187 1.00 73.23 H new ATOM 1785 N VAL A 113 3.380 -4.029 10.850 1.00 12.42 N ATOM 1786 CA VAL A 113 4.396 -3.254 11.587 1.00 11.35 C ATOM 1787 C VAL A 113 5.764 -3.939 11.457 1.00 74.14 C ATOM 1788 O VAL A 113 6.775 -3.273 11.227 1.00 21.20 O ATOM 1789 CB VAL A 113 3.987 -3.035 13.095 1.00 34.21 C ATOM 1790 CG1 VAL A 113 5.133 -2.432 13.945 1.00 52.13 C ATOM 1791 CG2 VAL A 113 2.737 -2.131 13.173 1.00 60.14 C ATOM 0 H VAL A 113 2.692 -4.486 11.449 1.00 12.42 H new ATOM 0 HA VAL A 113 4.464 -2.261 11.144 1.00 11.35 H new ATOM 0 HB VAL A 113 3.764 -4.016 13.514 1.00 34.21 H new ATOM 0 HG11 VAL A 113 4.795 -2.303 14.973 1.00 52.13 H new ATOM 0 HG12 VAL A 113 5.992 -3.103 13.927 1.00 52.13 H new ATOM 0 HG13 VAL A 113 5.420 -1.464 13.534 1.00 52.13 H new ATOM 0 HG21 VAL A 113 2.459 -1.983 14.217 1.00 60.14 H new ATOM 0 HG22 VAL A 113 2.957 -1.166 12.716 1.00 60.14 H new ATOM 0 HG23 VAL A 113 1.912 -2.605 12.641 1.00 60.14 H new ATOM 1801 N GLN A 114 5.752 -5.290 11.519 1.00 4.42 N ATOM 1802 CA GLN A 114 6.956 -6.115 11.290 1.00 30.31 C ATOM 1803 C GLN A 114 7.377 -5.995 9.833 1.00 2.05 C ATOM 1804 O GLN A 114 8.537 -5.761 9.530 1.00 23.42 O ATOM 1805 CB GLN A 114 6.688 -7.605 11.622 1.00 0.11 C ATOM 1806 CG GLN A 114 6.416 -7.894 13.106 1.00 70.04 C ATOM 1807 CD GLN A 114 7.584 -7.519 14.023 1.00 44.11 C ATOM 1808 OE1 GLN A 114 8.475 -8.328 14.281 1.00 11.00 O ATOM 1809 NE2 GLN A 114 7.585 -6.291 14.525 1.00 4.22 N ATOM 0 H GLN A 114 4.914 -5.833 11.727 1.00 4.42 H new ATOM 0 HA GLN A 114 7.748 -5.754 11.946 1.00 30.31 H new ATOM 0 HB2 GLN A 114 5.833 -7.945 11.037 1.00 0.11 H new ATOM 0 HB3 GLN A 114 7.548 -8.194 11.303 1.00 0.11 H new ATOM 0 HG2 GLN A 114 5.528 -7.345 13.418 1.00 70.04 H new ATOM 0 HG3 GLN A 114 6.194 -8.954 13.227 1.00 70.04 H new ATOM 0 HE21 GLN A 114 6.832 -5.644 14.292 1.00 4.22 H new ATOM 0 HE22 GLN A 114 8.339 -5.994 15.144 1.00 4.22 H new ATOM 1818 N THR A 115 6.376 -6.129 8.960 1.00 75.12 N ATOM 1819 CA THR A 115 6.519 -6.050 7.513 1.00 71.24 C ATOM 1820 C THR A 115 7.254 -4.768 7.076 1.00 14.34 C ATOM 1821 O THR A 115 8.220 -4.855 6.341 1.00 71.24 O ATOM 1822 CB THR A 115 5.108 -6.138 6.864 1.00 13.51 C ATOM 1823 OG1 THR A 115 4.535 -7.430 7.123 1.00 30.54 O ATOM 1824 CG2 THR A 115 5.104 -5.873 5.365 1.00 22.41 C ATOM 0 H THR A 115 5.415 -6.301 9.255 1.00 75.12 H new ATOM 0 HA THR A 115 7.131 -6.886 7.174 1.00 71.24 H new ATOM 0 HB THR A 115 4.511 -5.349 7.321 1.00 13.51 H new ATOM 0 HG1 THR A 115 4.236 -7.474 8.055 1.00 30.54 H new ATOM 0 HG21 THR A 115 4.086 -5.952 4.984 1.00 22.41 H new ATOM 0 HG22 THR A 115 5.487 -4.871 5.172 1.00 22.41 H new ATOM 0 HG23 THR A 115 5.736 -6.606 4.864 1.00 22.41 H new ATOM 1832 N VAL A 116 6.815 -3.600 7.593 1.00 72.42 N ATOM 1833 CA VAL A 116 7.334 -2.278 7.180 1.00 75.22 C ATOM 1834 C VAL A 116 8.702 -1.969 7.828 1.00 51.32 C ATOM 1835 O VAL A 116 9.591 -1.442 7.155 1.00 2.53 O ATOM 1836 CB VAL A 116 6.275 -1.142 7.485 1.00 11.02 C ATOM 1837 CG1 VAL A 116 6.854 0.288 7.294 1.00 60.01 C ATOM 1838 CG2 VAL A 116 5.007 -1.333 6.607 1.00 60.44 C ATOM 0 H VAL A 116 6.090 -3.547 8.309 1.00 72.42 H new ATOM 0 HA VAL A 116 7.497 -2.307 6.103 1.00 75.22 H new ATOM 0 HB VAL A 116 6.005 -1.237 8.537 1.00 11.02 H new ATOM 0 HG11 VAL A 116 6.083 1.026 7.517 1.00 60.01 H new ATOM 0 HG12 VAL A 116 7.699 0.431 7.967 1.00 60.01 H new ATOM 0 HG13 VAL A 116 7.187 0.411 6.263 1.00 60.01 H new ATOM 0 HG21 VAL A 116 4.289 -0.544 6.829 1.00 60.44 H new ATOM 0 HG22 VAL A 116 5.283 -1.287 5.554 1.00 60.44 H new ATOM 0 HG23 VAL A 116 4.558 -2.303 6.822 1.00 60.44 H new ATOM 1848 N LYS A 117 8.889 -2.318 9.120 1.00 43.02 N ATOM 1849 CA LYS A 117 10.158 -2.015 9.833 1.00 41.44 C ATOM 1850 C LYS A 117 11.299 -2.934 9.346 1.00 74.33 C ATOM 1851 O LYS A 117 12.451 -2.496 9.219 1.00 42.11 O ATOM 1852 CB LYS A 117 9.989 -2.102 11.378 1.00 62.11 C ATOM 1853 CG LYS A 117 9.807 -3.528 11.960 1.00 31.22 C ATOM 1854 CD LYS A 117 9.438 -3.528 13.466 1.00 11.51 C ATOM 1855 CE LYS A 117 10.473 -2.802 14.347 1.00 10.32 C ATOM 1856 NZ LYS A 117 10.040 -2.737 15.773 1.00 2.14 N ATOM 0 H LYS A 117 8.192 -2.802 9.686 1.00 43.02 H new ATOM 0 HA LYS A 117 10.427 -0.986 9.595 1.00 41.44 H new ATOM 0 HB2 LYS A 117 10.863 -1.648 11.846 1.00 62.11 H new ATOM 0 HB3 LYS A 117 9.126 -1.501 11.664 1.00 62.11 H new ATOM 0 HG2 LYS A 117 9.027 -4.045 11.401 1.00 31.22 H new ATOM 0 HG3 LYS A 117 10.729 -4.092 11.818 1.00 31.22 H new ATOM 0 HD2 LYS A 117 8.465 -3.054 13.595 1.00 11.51 H new ATOM 0 HD3 LYS A 117 9.338 -4.558 13.809 1.00 11.51 H new ATOM 0 HE2 LYS A 117 11.431 -3.317 14.281 1.00 10.32 H new ATOM 0 HE3 LYS A 117 10.628 -1.792 13.968 1.00 10.32 H new ATOM 0 HZ1 LYS A 117 10.763 -2.241 16.333 1.00 2.14 H new ATOM 0 HZ2 LYS A 117 9.138 -2.223 15.839 1.00 2.14 H new ATOM 0 HZ3 LYS A 117 9.917 -3.701 16.143 1.00 2.14 H new ATOM 1870 N ASN A 118 10.954 -4.210 9.050 1.00 12.24 N ATOM 1871 CA ASN A 118 11.906 -5.186 8.476 1.00 45.34 C ATOM 1872 C ASN A 118 12.202 -4.815 7.028 1.00 43.15 C ATOM 1873 O ASN A 118 13.360 -4.885 6.609 1.00 61.43 O ATOM 1874 CB ASN A 118 11.381 -6.650 8.559 1.00 2.42 C ATOM 1875 CG ASN A 118 11.244 -7.167 10.000 1.00 63.54 C ATOM 1876 OD1 ASN A 118 11.988 -6.771 10.899 1.00 23.25 O ATOM 1877 ND2 ASN A 118 10.283 -8.051 10.229 1.00 20.13 N ATOM 0 H ASN A 118 10.018 -4.587 9.201 1.00 12.24 H new ATOM 0 HA ASN A 118 12.820 -5.143 9.068 1.00 45.34 H new ATOM 0 HB2 ASN A 118 10.411 -6.709 8.066 1.00 2.42 H new ATOM 0 HB3 ASN A 118 12.059 -7.303 8.009 1.00 2.42 H new ATOM 0 HD21 ASN A 118 10.144 -8.422 11.169 1.00 20.13 H new ATOM 0 HD22 ASN A 118 9.682 -8.361 9.465 1.00 20.13 H new ATOM 1884 N TYR A 119 11.131 -4.391 6.295 1.00 74.54 N ATOM 1885 CA TYR A 119 11.227 -3.911 4.899 1.00 31.24 C ATOM 1886 C TYR A 119 12.302 -2.838 4.803 1.00 75.35 C ATOM 1887 O TYR A 119 13.337 -3.066 4.180 1.00 53.23 O ATOM 1888 CB TYR A 119 9.860 -3.366 4.395 1.00 10.20 C ATOM 1889 CG TYR A 119 9.816 -2.856 2.947 1.00 11.25 C ATOM 1890 CD1 TYR A 119 10.272 -3.642 1.888 1.00 42.41 C ATOM 1891 CD2 TYR A 119 9.296 -1.594 2.641 1.00 13.31 C ATOM 1892 CE1 TYR A 119 10.218 -3.191 0.586 1.00 43.53 C ATOM 1893 CE2 TYR A 119 9.241 -1.143 1.342 1.00 54.11 C ATOM 1894 CZ TYR A 119 9.706 -1.943 0.316 1.00 43.13 C ATOM 1895 OH TYR A 119 9.644 -1.492 -0.990 1.00 54.40 O ATOM 0 H TYR A 119 10.180 -4.376 6.664 1.00 74.54 H new ATOM 0 HA TYR A 119 11.500 -4.751 4.260 1.00 31.24 H new ATOM 0 HB2 TYR A 119 9.118 -4.157 4.500 1.00 10.20 H new ATOM 0 HB3 TYR A 119 9.554 -2.552 5.053 1.00 10.20 H new ATOM 0 HD1 TYR A 119 10.675 -4.623 2.092 1.00 42.41 H new ATOM 0 HD2 TYR A 119 8.931 -0.963 3.438 1.00 13.31 H new ATOM 0 HE1 TYR A 119 10.576 -3.815 -0.219 1.00 43.53 H new ATOM 0 HE2 TYR A 119 8.835 -0.166 1.125 1.00 54.11 H new ATOM 0 HH TYR A 119 9.909 -0.549 -1.023 1.00 54.40 H new ATOM 1905 N GLN A 120 12.077 -1.729 5.532 1.00 54.42 N ATOM 1906 CA GLN A 120 13.002 -0.595 5.597 1.00 44.21 C ATOM 1907 C GLN A 120 14.400 -1.027 6.082 1.00 34.33 C ATOM 1908 O GLN A 120 15.408 -0.535 5.572 1.00 53.31 O ATOM 1909 CB GLN A 120 12.430 0.514 6.519 1.00 4.44 C ATOM 1910 CG GLN A 120 11.128 1.175 6.004 1.00 74.10 C ATOM 1911 CD GLN A 120 10.688 2.389 6.834 1.00 61.50 C ATOM 1912 OE1 GLN A 120 10.906 2.449 8.040 1.00 11.34 O ATOM 1913 NE2 GLN A 120 10.102 3.378 6.186 1.00 51.31 N ATOM 0 H GLN A 120 11.237 -1.599 6.096 1.00 54.42 H new ATOM 0 HA GLN A 120 13.111 -0.198 4.588 1.00 44.21 H new ATOM 0 HB2 GLN A 120 12.240 0.087 7.504 1.00 4.44 H new ATOM 0 HB3 GLN A 120 13.188 1.287 6.648 1.00 4.44 H new ATOM 0 HG2 GLN A 120 11.272 1.485 4.969 1.00 74.10 H new ATOM 0 HG3 GLN A 120 10.328 0.434 6.006 1.00 74.10 H new ATOM 0 HE21 GLN A 120 9.933 3.301 5.183 1.00 51.31 H new ATOM 0 HE22 GLN A 120 9.818 4.219 6.688 1.00 51.31 H new ATOM 1922 N GLY A 121 14.428 -1.981 7.031 1.00 60.22 N ATOM 1923 CA GLY A 121 15.666 -2.522 7.586 1.00 75.43 C ATOM 1924 C GLY A 121 16.594 -3.130 6.534 1.00 51.13 C ATOM 1925 O GLY A 121 17.794 -2.831 6.519 1.00 41.33 O ATOM 0 H GLY A 121 13.586 -2.395 7.431 1.00 60.22 H new ATOM 0 HA2 GLY A 121 16.197 -1.728 8.111 1.00 75.43 H new ATOM 0 HA3 GLY A 121 15.420 -3.284 8.326 1.00 75.43 H new ATOM 1929 N TYR A 122 16.041 -3.975 5.632 1.00 2.21 N ATOM 1930 CA TYR A 122 16.843 -4.607 4.560 1.00 15.14 C ATOM 1931 C TYR A 122 16.960 -3.717 3.299 1.00 12.02 C ATOM 1932 O TYR A 122 17.866 -3.938 2.480 1.00 23.55 O ATOM 1933 CB TYR A 122 16.362 -6.049 4.236 1.00 34.04 C ATOM 1934 CG TYR A 122 14.945 -6.216 3.659 1.00 54.23 C ATOM 1935 CD1 TYR A 122 14.634 -5.845 2.346 1.00 43.03 C ATOM 1936 CD2 TYR A 122 13.926 -6.784 4.422 1.00 55.03 C ATOM 1937 CE1 TYR A 122 13.371 -6.025 1.834 1.00 75.21 C ATOM 1938 CE2 TYR A 122 12.666 -6.968 3.904 1.00 11.20 C ATOM 1939 CZ TYR A 122 12.395 -6.587 2.617 1.00 44.04 C ATOM 1940 OH TYR A 122 11.138 -6.770 2.116 1.00 14.42 O ATOM 0 H TYR A 122 15.054 -4.232 5.625 1.00 2.21 H new ATOM 0 HA TYR A 122 17.856 -4.704 4.951 1.00 15.14 H new ATOM 0 HB2 TYR A 122 17.066 -6.487 3.529 1.00 34.04 H new ATOM 0 HB3 TYR A 122 16.423 -6.637 5.152 1.00 34.04 H new ATOM 0 HD1 TYR A 122 15.401 -5.409 1.723 1.00 43.03 H new ATOM 0 HD2 TYR A 122 14.130 -7.085 5.439 1.00 55.03 H new ATOM 0 HE1 TYR A 122 13.148 -5.725 0.821 1.00 75.21 H new ATOM 0 HE2 TYR A 122 11.891 -7.412 4.511 1.00 11.20 H new ATOM 0 HH TYR A 122 11.158 -6.677 1.141 1.00 14.42 H new ATOM 1950 N VAL A 123 16.046 -2.722 3.146 1.00 24.15 N ATOM 1951 CA VAL A 123 16.155 -1.690 2.084 1.00 51.45 C ATOM 1952 C VAL A 123 17.484 -0.927 2.249 1.00 4.14 C ATOM 1953 O VAL A 123 18.328 -0.918 1.347 1.00 61.25 O ATOM 1954 CB VAL A 123 14.947 -0.653 2.084 1.00 65.15 C ATOM 1955 CG1 VAL A 123 15.229 0.559 1.152 1.00 42.20 C ATOM 1956 CG2 VAL A 123 13.605 -1.319 1.686 1.00 54.22 C ATOM 0 H VAL A 123 15.227 -2.614 3.745 1.00 24.15 H new ATOM 0 HA VAL A 123 16.120 -2.214 1.129 1.00 51.45 H new ATOM 0 HB VAL A 123 14.858 -0.292 3.109 1.00 65.15 H new ATOM 0 HG11 VAL A 123 14.381 1.244 1.179 1.00 42.20 H new ATOM 0 HG12 VAL A 123 16.126 1.078 1.491 1.00 42.20 H new ATOM 0 HG13 VAL A 123 15.378 0.206 0.131 1.00 42.20 H new ATOM 0 HG21 VAL A 123 12.810 -0.573 1.700 1.00 54.22 H new ATOM 0 HG22 VAL A 123 13.691 -1.739 0.684 1.00 54.22 H new ATOM 0 HG23 VAL A 123 13.369 -2.114 2.394 1.00 54.22 H new ATOM 1966 N GLN A 124 17.668 -0.341 3.446 1.00 30.41 N ATOM 1967 CA GLN A 124 18.865 0.454 3.786 1.00 61.44 C ATOM 1968 C GLN A 124 20.116 -0.448 3.942 1.00 22.10 C ATOM 1969 O GLN A 124 21.248 0.025 3.809 1.00 5.20 O ATOM 1970 CB GLN A 124 18.597 1.273 5.076 1.00 53.44 C ATOM 1971 CG GLN A 124 18.366 0.418 6.339 1.00 41.42 C ATOM 1972 CD GLN A 124 17.939 1.221 7.570 1.00 71.15 C ATOM 1973 OE1 GLN A 124 17.290 2.264 7.463 1.00 60.04 O ATOM 1974 NE2 GLN A 124 18.293 0.737 8.746 1.00 50.13 N ATOM 0 H GLN A 124 16.991 -0.405 4.206 1.00 30.41 H new ATOM 0 HA GLN A 124 19.071 1.144 2.968 1.00 61.44 H new ATOM 0 HB2 GLN A 124 19.443 1.937 5.252 1.00 53.44 H new ATOM 0 HB3 GLN A 124 17.723 1.905 4.915 1.00 53.44 H new ATOM 0 HG2 GLN A 124 17.602 -0.329 6.124 1.00 41.42 H new ATOM 0 HG3 GLN A 124 19.284 -0.122 6.572 1.00 41.42 H new ATOM 0 HE21 GLN A 124 18.830 -0.129 8.801 1.00 50.13 H new ATOM 0 HE22 GLN A 124 18.030 1.229 9.600 1.00 50.13 H new ATOM 1983 N ASP A 125 19.881 -1.749 4.217 1.00 51.23 N ATOM 1984 CA ASP A 125 20.951 -2.765 4.314 1.00 62.23 C ATOM 1985 C ASP A 125 21.505 -3.112 2.915 1.00 73.43 C ATOM 1986 O ASP A 125 22.668 -3.504 2.779 1.00 44.34 O ATOM 1987 CB ASP A 125 20.384 -4.037 4.990 1.00 0.53 C ATOM 1988 CG ASP A 125 21.443 -5.085 5.353 1.00 71.21 C ATOM 1989 OD1 ASP A 125 22.225 -4.835 6.292 1.00 22.40 O ATOM 1990 OD2 ASP A 125 21.496 -6.163 4.724 1.00 31.04 O ATOM 0 H ASP A 125 18.946 -2.124 4.378 1.00 51.23 H new ATOM 0 HA ASP A 125 21.769 -2.363 4.912 1.00 62.23 H new ATOM 0 HB2 ASP A 125 19.852 -3.746 5.896 1.00 0.53 H new ATOM 0 HB3 ASP A 125 19.652 -4.493 4.323 1.00 0.53 H new ATOM 1995 N GLY A 126 20.663 -2.914 1.881 1.00 74.31 N ATOM 1996 CA GLY A 126 21.023 -3.216 0.496 1.00 63.43 C ATOM 1997 C GLY A 126 20.990 -4.713 0.192 1.00 43.21 C ATOM 1998 O GLY A 126 21.854 -5.230 -0.525 1.00 62.22 O ATOM 0 H GLY A 126 19.720 -2.541 1.990 1.00 74.31 H new ATOM 0 HA2 GLY A 126 20.338 -2.698 -0.175 1.00 63.43 H new ATOM 0 HA3 GLY A 126 22.022 -2.830 0.292 1.00 63.43 H new ATOM 2002 N HIS A 127 19.995 -5.414 0.760 1.00 60.43 N ATOM 2003 CA HIS A 127 19.783 -6.856 0.515 1.00 40.33 C ATOM 2004 C HIS A 127 18.274 -7.143 0.536 1.00 32.20 C ATOM 2005 O HIS A 127 17.607 -6.793 1.493 1.00 74.51 O ATOM 2006 CB HIS A 127 20.532 -7.701 1.587 1.00 1.31 C ATOM 2007 CG HIS A 127 20.522 -9.191 1.336 1.00 33.24 C ATOM 2008 ND1 HIS A 127 21.575 -9.860 0.755 1.00 53.11 N ATOM 2009 CD2 HIS A 127 19.587 -10.136 1.589 1.00 35.24 C ATOM 2010 CE1 HIS A 127 21.284 -11.138 0.657 1.00 43.13 C ATOM 2011 NE2 HIS A 127 20.087 -11.334 1.153 1.00 2.22 N ATOM 0 H HIS A 127 19.316 -5.002 1.400 1.00 60.43 H new ATOM 0 HA HIS A 127 20.185 -7.132 -0.460 1.00 40.33 H new ATOM 0 HB2 HIS A 127 21.567 -7.362 1.639 1.00 1.31 H new ATOM 0 HB3 HIS A 127 20.083 -7.507 2.561 1.00 1.31 H new ATOM 0 HD2 HIS A 127 18.624 -9.975 2.050 1.00 35.24 H new ATOM 0 HE1 HIS A 127 21.925 -11.900 0.238 1.00 43.13 H new ATOM 0 HE2 HIS A 127 19.606 -12.232 1.206 1.00 2.22 H new ATOM 2020 N ASP A 128 17.757 -7.789 -0.522 1.00 44.30 N ATOM 2021 CA ASP A 128 16.309 -8.071 -0.676 1.00 3.42 C ATOM 2022 C ASP A 128 15.871 -9.260 0.198 1.00 11.00 C ATOM 2023 O ASP A 128 16.681 -10.131 0.530 1.00 40.52 O ATOM 2024 CB ASP A 128 15.979 -8.360 -2.157 1.00 22.22 C ATOM 2025 CG ASP A 128 16.541 -9.709 -2.638 1.00 62.02 C ATOM 2026 OD1 ASP A 128 17.768 -9.823 -2.837 1.00 72.12 O ATOM 2027 OD2 ASP A 128 15.768 -10.669 -2.770 1.00 70.42 O ATOM 0 H ASP A 128 18.325 -8.132 -1.297 1.00 44.30 H new ATOM 0 HA ASP A 128 15.761 -7.188 -0.347 1.00 3.42 H new ATOM 0 HB2 ASP A 128 14.897 -8.353 -2.292 1.00 22.22 H new ATOM 0 HB3 ASP A 128 16.383 -7.560 -2.778 1.00 22.22 H new ATOM 2032 N HIS A 129 14.573 -9.303 0.529 1.00 21.32 N ATOM 2033 CA HIS A 129 13.970 -10.405 1.322 1.00 32.24 C ATOM 2034 C HIS A 129 12.517 -10.660 0.888 1.00 45.25 C ATOM 2035 O HIS A 129 11.865 -11.565 1.429 1.00 15.43 O ATOM 2036 CB HIS A 129 14.036 -10.117 2.859 1.00 13.40 C ATOM 2037 CG HIS A 129 15.360 -10.435 3.525 1.00 21.11 C ATOM 2038 ND1 HIS A 129 15.616 -11.649 4.120 1.00 14.30 N ATOM 2039 CD2 HIS A 129 16.485 -9.697 3.698 1.00 0.14 C ATOM 2040 CE1 HIS A 129 16.829 -11.645 4.625 1.00 42.53 C ATOM 2041 NE2 HIS A 129 17.379 -10.476 4.385 1.00 70.32 N ATOM 0 H HIS A 129 13.905 -8.581 0.259 1.00 21.32 H new ATOM 0 HA HIS A 129 14.557 -11.302 1.126 1.00 32.24 H new ATOM 0 HB2 HIS A 129 13.810 -9.064 3.024 1.00 13.40 H new ATOM 0 HB3 HIS A 129 13.253 -10.692 3.353 1.00 13.40 H new ATOM 0 HD2 HIS A 129 16.646 -8.685 3.358 1.00 0.14 H new ATOM 0 HE1 HIS A 129 17.296 -12.465 5.150 1.00 42.53 H new ATOM 0 HE2 HIS A 129 18.319 -10.194 4.665 1.00 70.32 H new ATOM 2113 N ASP A 134 16.380 -6.478 -6.831 1.00 4.25 N ATOM 2114 CA ASP A 134 17.634 -5.708 -6.606 1.00 10.33 C ATOM 2115 C ASP A 134 17.380 -4.554 -5.581 1.00 15.32 C ATOM 2116 O ASP A 134 16.264 -4.023 -5.539 1.00 54.52 O ATOM 2117 CB ASP A 134 18.137 -5.174 -7.980 1.00 14.40 C ATOM 2118 CG ASP A 134 19.582 -4.641 -7.945 1.00 64.12 C ATOM 2119 OD1 ASP A 134 19.792 -3.465 -7.582 1.00 64.23 O ATOM 2120 OD2 ASP A 134 20.518 -5.407 -8.258 1.00 43.34 O ATOM 0 HA ASP A 134 18.407 -6.346 -6.178 1.00 10.33 H new ATOM 0 HB2 ASP A 134 18.072 -5.975 -8.717 1.00 14.40 H new ATOM 0 HB3 ASP A 134 17.473 -4.377 -8.315 1.00 14.40 H new ATOM 2125 N PRO A 135 18.397 -4.168 -4.712 1.00 2.52 N ATOM 2126 CA PRO A 135 18.275 -3.042 -3.730 1.00 43.04 C ATOM 2127 C PRO A 135 17.832 -1.685 -4.325 1.00 52.45 C ATOM 2128 O PRO A 135 17.299 -0.847 -3.591 1.00 3.31 O ATOM 2129 CB PRO A 135 19.695 -2.946 -3.090 1.00 11.24 C ATOM 2130 CG PRO A 135 20.588 -3.719 -4.014 1.00 51.34 C ATOM 2131 CD PRO A 135 19.720 -4.830 -4.546 1.00 23.44 C ATOM 0 HA PRO A 135 17.478 -3.254 -3.018 1.00 43.04 H new ATOM 0 HB2 PRO A 135 20.020 -1.909 -3.003 1.00 11.24 H new ATOM 0 HB3 PRO A 135 19.705 -3.369 -2.085 1.00 11.24 H new ATOM 0 HG2 PRO A 135 20.963 -3.089 -4.821 1.00 51.34 H new ATOM 0 HG3 PRO A 135 21.457 -4.113 -3.487 1.00 51.34 H new ATOM 0 HD2 PRO A 135 20.098 -5.221 -5.491 1.00 23.44 H new ATOM 0 HD3 PRO A 135 19.668 -5.669 -3.852 1.00 23.44 H new ATOM 2139 N LYS A 136 18.049 -1.464 -5.642 1.00 12.31 N ATOM 2140 CA LYS A 136 17.598 -0.218 -6.316 1.00 4.32 C ATOM 2141 C LYS A 136 16.052 -0.108 -6.315 1.00 22.34 C ATOM 2142 O LYS A 136 15.497 0.992 -6.297 1.00 0.14 O ATOM 2143 CB LYS A 136 18.160 -0.125 -7.767 1.00 73.21 C ATOM 2144 CG LYS A 136 17.642 -1.196 -8.744 1.00 44.23 C ATOM 2145 CD LYS A 136 18.307 -1.127 -10.145 1.00 75.42 C ATOM 2146 CE LYS A 136 19.815 -1.436 -10.111 1.00 42.12 C ATOM 2147 NZ LYS A 136 20.442 -1.381 -11.460 1.00 65.53 N ATOM 0 H LYS A 136 18.528 -2.123 -6.256 1.00 12.31 H new ATOM 0 HA LYS A 136 17.995 0.624 -5.749 1.00 4.32 H new ATOM 0 HB2 LYS A 136 17.918 0.858 -8.170 1.00 73.21 H new ATOM 0 HB3 LYS A 136 19.247 -0.193 -7.723 1.00 73.21 H new ATOM 0 HG2 LYS A 136 17.817 -2.183 -8.315 1.00 44.23 H new ATOM 0 HG3 LYS A 136 16.564 -1.084 -8.856 1.00 44.23 H new ATOM 0 HD2 LYS A 136 17.812 -1.833 -10.811 1.00 75.42 H new ATOM 0 HD3 LYS A 136 18.155 -0.133 -10.565 1.00 75.42 H new ATOM 0 HE2 LYS A 136 20.313 -0.723 -9.454 1.00 42.12 H new ATOM 0 HE3 LYS A 136 19.969 -2.426 -9.683 1.00 42.12 H new ATOM 0 HZ1 LYS A 136 21.456 -1.596 -11.380 1.00 65.53 H new ATOM 0 HZ2 LYS A 136 19.988 -2.079 -12.083 1.00 65.53 H new ATOM 0 HZ3 LYS A 136 20.321 -0.429 -11.861 1.00 65.53 H new ATOM 2161 N TYR A 137 15.379 -1.268 -6.315 1.00 60.22 N ATOM 2162 CA TYR A 137 13.905 -1.370 -6.295 1.00 50.35 C ATOM 2163 C TYR A 137 13.349 -1.288 -4.867 1.00 24.32 C ATOM 2164 O TYR A 137 12.174 -0.954 -4.668 1.00 5.35 O ATOM 2165 CB TYR A 137 13.484 -2.697 -6.941 1.00 1.33 C ATOM 2166 CG TYR A 137 13.899 -2.810 -8.406 1.00 12.44 C ATOM 2167 CD1 TYR A 137 13.211 -2.115 -9.398 1.00 51.42 C ATOM 2168 CD2 TYR A 137 14.991 -3.587 -8.792 1.00 14.23 C ATOM 2169 CE1 TYR A 137 13.593 -2.199 -10.719 1.00 41.12 C ATOM 2170 CE2 TYR A 137 15.378 -3.670 -10.115 1.00 64.31 C ATOM 2171 CZ TYR A 137 14.676 -2.976 -11.073 1.00 52.33 C ATOM 2172 OH TYR A 137 15.052 -3.055 -12.396 1.00 2.25 O ATOM 0 H TYR A 137 15.845 -2.175 -6.329 1.00 60.22 H new ATOM 0 HA TYR A 137 13.496 -0.530 -6.857 1.00 50.35 H new ATOM 0 HB2 TYR A 137 13.924 -3.522 -6.381 1.00 1.33 H new ATOM 0 HB3 TYR A 137 12.402 -2.802 -6.867 1.00 1.33 H new ATOM 0 HD1 TYR A 137 12.365 -1.501 -9.127 1.00 51.42 H new ATOM 0 HD2 TYR A 137 15.544 -4.134 -8.043 1.00 14.23 H new ATOM 0 HE1 TYR A 137 13.045 -1.657 -11.476 1.00 41.12 H new ATOM 0 HE2 TYR A 137 16.227 -4.276 -10.396 1.00 64.31 H new ATOM 0 HH TYR A 137 15.833 -3.641 -12.480 1.00 2.25 H new ATOM 2182 N LEU A 138 14.198 -1.634 -3.894 1.00 21.54 N ATOM 2183 CA LEU A 138 13.887 -1.504 -2.468 1.00 12.23 C ATOM 2184 C LEU A 138 13.793 -0.010 -2.103 1.00 14.42 C ATOM 2185 O LEU A 138 14.798 0.690 -2.141 1.00 30.24 O ATOM 2186 CB LEU A 138 14.993 -2.209 -1.624 1.00 32.31 C ATOM 2187 CG LEU A 138 15.142 -3.752 -1.799 1.00 41.33 C ATOM 2188 CD1 LEU A 138 16.244 -4.313 -0.867 1.00 0.25 C ATOM 2189 CD2 LEU A 138 13.803 -4.468 -1.573 1.00 40.54 C ATOM 0 H LEU A 138 15.127 -2.015 -4.076 1.00 21.54 H new ATOM 0 HA LEU A 138 12.931 -1.981 -2.251 1.00 12.23 H new ATOM 0 HB2 LEU A 138 15.950 -1.747 -1.866 1.00 32.31 H new ATOM 0 HB3 LEU A 138 14.797 -2.005 -0.571 1.00 32.31 H new ATOM 0 HG LEU A 138 15.448 -3.944 -2.828 1.00 41.33 H new ATOM 0 HD11 LEU A 138 16.327 -5.390 -1.009 1.00 0.25 H new ATOM 0 HD12 LEU A 138 17.197 -3.841 -1.105 1.00 0.25 H new ATOM 0 HD13 LEU A 138 15.985 -4.103 0.171 1.00 0.25 H new ATOM 0 HD21 LEU A 138 13.938 -5.542 -1.702 1.00 40.54 H new ATOM 0 HD22 LEU A 138 13.448 -4.266 -0.562 1.00 40.54 H new ATOM 0 HD23 LEU A 138 13.070 -4.106 -2.294 1.00 40.54 H new ATOM 2201 N HIS A 139 12.571 0.474 -1.789 1.00 61.24 N ATOM 2202 CA HIS A 139 12.318 1.894 -1.420 1.00 1.41 C ATOM 2203 C HIS A 139 11.569 1.955 -0.081 1.00 20.33 C ATOM 2204 O HIS A 139 10.544 1.291 0.076 1.00 0.42 O ATOM 2205 CB HIS A 139 11.472 2.612 -2.515 1.00 1.33 C ATOM 2206 CG HIS A 139 12.173 2.787 -3.837 1.00 15.43 C ATOM 2207 ND1 HIS A 139 11.960 1.960 -4.921 1.00 20.35 N ATOM 2208 CD2 HIS A 139 13.076 3.709 -4.250 1.00 32.12 C ATOM 2209 CE1 HIS A 139 12.695 2.367 -5.935 1.00 31.02 C ATOM 2210 NE2 HIS A 139 13.378 3.421 -5.553 1.00 52.13 N ATOM 0 H HIS A 139 11.730 -0.104 -1.783 1.00 61.24 H new ATOM 0 HA HIS A 139 13.279 2.401 -1.333 1.00 1.41 H new ATOM 0 HB2 HIS A 139 10.556 2.045 -2.677 1.00 1.33 H new ATOM 0 HB3 HIS A 139 11.178 3.593 -2.142 1.00 1.33 H new ATOM 0 HD1 HIS A 139 11.331 1.158 -4.935 1.00 20.35 H new ATOM 0 HD2 HIS A 139 13.481 4.519 -3.661 1.00 32.12 H new ATOM 0 HE1 HIS A 139 12.730 1.912 -6.914 1.00 31.02 H new ATOM 2219 N GLN A 140 12.075 2.768 0.868 1.00 61.33 N ATOM 2220 CA GLN A 140 11.398 3.016 2.159 1.00 31.25 C ATOM 2221 C GLN A 140 10.248 4.026 1.981 1.00 43.01 C ATOM 2222 O GLN A 140 10.208 4.807 1.012 1.00 53.11 O ATOM 2223 CB GLN A 140 12.397 3.565 3.231 1.00 13.34 C ATOM 2224 CG GLN A 140 13.597 2.648 3.531 1.00 54.11 C ATOM 2225 CD GLN A 140 14.581 3.202 4.574 1.00 42.32 C ATOM 2226 OE1 GLN A 140 14.757 4.409 4.710 1.00 21.22 O ATOM 2227 NE2 GLN A 140 15.249 2.324 5.294 1.00 62.01 N ATOM 0 H GLN A 140 12.958 3.268 0.764 1.00 61.33 H new ATOM 0 HA GLN A 140 11.000 2.062 2.504 1.00 31.25 H new ATOM 0 HB2 GLN A 140 12.772 4.532 2.895 1.00 13.34 H new ATOM 0 HB3 GLN A 140 11.852 3.740 4.158 1.00 13.34 H new ATOM 0 HG2 GLN A 140 13.223 1.685 3.879 1.00 54.11 H new ATOM 0 HG3 GLN A 140 14.138 2.464 2.603 1.00 54.11 H new ATOM 0 HE21 GLN A 140 15.085 1.326 5.162 1.00 62.01 H new ATOM 0 HE22 GLN A 140 15.930 2.642 5.983 1.00 62.01 H new ATOM 2236 N PHE A 141 9.300 3.973 2.920 1.00 2.41 N ATOM 2237 CA PHE A 141 8.302 5.035 3.120 1.00 13.43 C ATOM 2238 C PHE A 141 8.898 6.095 4.055 1.00 0.41 C ATOM 2239 O PHE A 141 9.767 5.780 4.871 1.00 21.13 O ATOM 2240 CB PHE A 141 7.009 4.446 3.736 1.00 21.34 C ATOM 2241 CG PHE A 141 6.490 3.218 3.002 1.00 62.33 C ATOM 2242 CD1 PHE A 141 5.880 3.341 1.759 1.00 34.43 C ATOM 2243 CD2 PHE A 141 6.620 1.938 3.555 1.00 21.02 C ATOM 2244 CE1 PHE A 141 5.418 2.229 1.094 1.00 55.10 C ATOM 2245 CE2 PHE A 141 6.154 0.830 2.887 1.00 21.52 C ATOM 2246 CZ PHE A 141 5.552 0.976 1.654 1.00 10.45 C ATOM 0 H PHE A 141 9.200 3.191 3.567 1.00 2.41 H new ATOM 0 HA PHE A 141 8.047 5.487 2.162 1.00 13.43 H new ATOM 0 HB2 PHE A 141 7.199 4.184 4.777 1.00 21.34 H new ATOM 0 HB3 PHE A 141 6.235 5.213 3.737 1.00 21.34 H new ATOM 0 HD1 PHE A 141 5.768 4.318 1.312 1.00 34.43 H new ATOM 0 HD2 PHE A 141 7.093 1.819 4.519 1.00 21.02 H new ATOM 0 HE1 PHE A 141 4.948 2.338 0.128 1.00 55.10 H new ATOM 0 HE2 PHE A 141 6.259 -0.151 3.326 1.00 21.52 H new ATOM 0 HZ PHE A 141 5.185 0.108 1.127 1.00 10.45 H new ATOM 2256 N GLU A 142 8.441 7.341 3.931 1.00 30.24 N ATOM 2257 CA GLU A 142 8.899 8.437 4.805 1.00 54.23 C ATOM 2258 C GLU A 142 7.998 8.549 6.043 1.00 11.44 C ATOM 2259 O GLU A 142 6.918 7.950 6.092 1.00 35.00 O ATOM 2260 CB GLU A 142 8.999 9.757 4.007 1.00 73.53 C ATOM 2261 CG GLU A 142 10.154 9.736 2.975 1.00 31.11 C ATOM 2262 CD GLU A 142 10.370 11.063 2.234 1.00 41.14 C ATOM 2263 OE1 GLU A 142 10.285 12.134 2.871 1.00 34.24 O ATOM 2264 OE2 GLU A 142 10.633 11.040 1.011 1.00 33.41 O ATOM 0 H GLU A 142 7.752 7.624 3.234 1.00 30.24 H new ATOM 0 HA GLU A 142 9.902 8.216 5.169 1.00 54.23 H new ATOM 0 HB2 GLU A 142 8.057 9.938 3.490 1.00 73.53 H new ATOM 0 HB3 GLU A 142 9.148 10.586 4.699 1.00 73.53 H new ATOM 0 HG2 GLU A 142 11.077 9.466 3.488 1.00 31.11 H new ATOM 0 HG3 GLU A 142 9.956 8.954 2.243 1.00 31.11 H new ATOM 2271 N GLY A 143 8.496 9.253 7.070 1.00 42.13 N ATOM 2272 CA GLY A 143 7.796 9.376 8.347 1.00 34.15 C ATOM 2273 C GLY A 143 6.844 10.564 8.383 1.00 62.22 C ATOM 2274 O GLY A 143 7.087 11.530 9.118 1.00 44.12 O ATOM 0 H GLY A 143 9.388 9.747 7.035 1.00 42.13 H new ATOM 0 HA2 GLY A 143 7.236 8.461 8.539 1.00 34.15 H new ATOM 0 HA3 GLY A 143 8.527 9.477 9.149 1.00 34.15 H new ATOM 2278 N GLU A 144 5.761 10.511 7.572 1.00 24.14 N ATOM 2279 CA GLU A 144 4.677 11.519 7.613 1.00 22.22 C ATOM 2280 C GLU A 144 3.336 10.850 7.984 1.00 25.32 C ATOM 2281 O GLU A 144 2.894 10.929 9.145 1.00 33.25 O ATOM 2282 CB GLU A 144 4.561 12.294 6.265 1.00 34.44 C ATOM 2283 CG GLU A 144 5.830 13.075 5.860 1.00 73.34 C ATOM 2284 CD GLU A 144 5.598 14.029 4.676 1.00 34.32 C ATOM 2285 OE1 GLU A 144 5.620 13.577 3.514 1.00 31.32 O ATOM 2286 OE2 GLU A 144 5.391 15.238 4.899 1.00 45.34 O ATOM 0 H GLU A 144 5.615 9.777 6.879 1.00 24.14 H new ATOM 0 HA GLU A 144 4.926 12.248 8.384 1.00 22.22 H new ATOM 0 HB2 GLU A 144 4.319 11.585 5.473 1.00 34.44 H new ATOM 0 HB3 GLU A 144 3.727 12.992 6.333 1.00 34.44 H new ATOM 0 HG2 GLU A 144 6.186 13.648 6.716 1.00 73.34 H new ATOM 0 HG3 GLU A 144 6.618 12.368 5.600 1.00 73.34 H new ATOM 2293 N THR A 145 2.700 10.183 7.002 1.00 10.41 N ATOM 2294 CA THR A 145 1.366 9.570 7.162 1.00 24.12 C ATOM 2295 C THR A 145 1.216 8.360 6.218 1.00 43.15 C ATOM 2296 O THR A 145 1.431 8.485 5.018 1.00 62.34 O ATOM 2297 CB THR A 145 0.235 10.619 6.866 1.00 4.41 C ATOM 2298 OG1 THR A 145 0.317 11.702 7.806 1.00 23.15 O ATOM 2299 CG2 THR A 145 -1.180 10.014 6.919 1.00 31.11 C ATOM 0 H THR A 145 3.098 10.053 6.072 1.00 10.41 H new ATOM 0 HA THR A 145 1.268 9.232 8.194 1.00 24.12 H new ATOM 0 HB THR A 145 0.399 10.975 5.849 1.00 4.41 H new ATOM 0 HG1 THR A 145 -0.389 12.354 7.616 1.00 23.15 H new ATOM 0 HG21 THR A 145 -1.916 10.790 6.706 1.00 31.11 H new ATOM 0 HG22 THR A 145 -1.264 9.220 6.177 1.00 31.11 H new ATOM 0 HG23 THR A 145 -1.363 9.603 7.912 1.00 31.11 H new ATOM 2307 N PHE A 146 0.800 7.208 6.767 1.00 22.24 N ATOM 2308 CA PHE A 146 0.538 5.995 5.978 1.00 73.01 C ATOM 2309 C PHE A 146 -0.919 5.974 5.477 1.00 50.11 C ATOM 2310 O PHE A 146 -1.868 6.076 6.266 1.00 21.52 O ATOM 2311 CB PHE A 146 0.850 4.715 6.808 1.00 12.23 C ATOM 2312 CG PHE A 146 2.337 4.372 6.869 1.00 73.45 C ATOM 2313 CD1 PHE A 146 3.166 4.869 7.875 1.00 62.11 C ATOM 2314 CD2 PHE A 146 2.905 3.539 5.903 1.00 20.12 C ATOM 2315 CE1 PHE A 146 4.509 4.542 7.911 1.00 35.20 C ATOM 2316 CE2 PHE A 146 4.242 3.216 5.943 1.00 14.21 C ATOM 2317 CZ PHE A 146 5.045 3.715 6.944 1.00 71.04 C ATOM 0 H PHE A 146 0.636 7.092 7.767 1.00 22.24 H new ATOM 0 HA PHE A 146 1.198 6.008 5.111 1.00 73.01 H new ATOM 0 HB2 PHE A 146 0.475 4.850 7.823 1.00 12.23 H new ATOM 0 HB3 PHE A 146 0.309 3.872 6.378 1.00 12.23 H new ATOM 0 HD1 PHE A 146 2.754 5.517 8.635 1.00 62.11 H new ATOM 0 HD2 PHE A 146 2.286 3.142 5.112 1.00 20.12 H new ATOM 0 HE1 PHE A 146 5.139 4.934 8.696 1.00 35.20 H new ATOM 0 HE2 PHE A 146 4.663 2.569 5.187 1.00 14.21 H new ATOM 0 HZ PHE A 146 6.094 3.460 6.973 1.00 71.04 H new ATOM 2327 N TYR A 147 -1.065 5.881 4.146 1.00 0.41 N ATOM 2328 CA TYR A 147 -2.353 5.664 3.468 1.00 21.14 C ATOM 2329 C TYR A 147 -2.476 4.197 3.060 1.00 25.31 C ATOM 2330 O TYR A 147 -1.479 3.555 2.723 1.00 1.25 O ATOM 2331 CB TYR A 147 -2.481 6.573 2.218 1.00 62.32 C ATOM 2332 CG TYR A 147 -2.788 8.037 2.530 1.00 41.33 C ATOM 2333 CD1 TYR A 147 -1.861 8.853 3.167 1.00 5.05 C ATOM 2334 CD2 TYR A 147 -4.011 8.607 2.174 1.00 72.22 C ATOM 2335 CE1 TYR A 147 -2.139 10.175 3.434 1.00 63.00 C ATOM 2336 CE2 TYR A 147 -4.287 9.929 2.443 1.00 23.33 C ATOM 2337 CZ TYR A 147 -3.350 10.711 3.070 1.00 25.52 C ATOM 2338 OH TYR A 147 -3.624 12.040 3.326 1.00 23.14 O ATOM 0 H TYR A 147 -0.279 5.956 3.500 1.00 0.41 H new ATOM 0 HA TYR A 147 -3.156 5.920 4.159 1.00 21.14 H new ATOM 0 HB2 TYR A 147 -1.552 6.522 1.651 1.00 62.32 H new ATOM 0 HB3 TYR A 147 -3.268 6.178 1.576 1.00 62.32 H new ATOM 0 HD1 TYR A 147 -0.905 8.443 3.458 1.00 5.05 H new ATOM 0 HD2 TYR A 147 -4.755 8.000 1.679 1.00 72.22 H new ATOM 0 HE1 TYR A 147 -1.404 10.791 3.930 1.00 63.00 H new ATOM 0 HE2 TYR A 147 -5.241 10.350 2.161 1.00 23.33 H new ATOM 0 HH TYR A 147 -2.824 12.475 3.687 1.00 23.14 H new ATOM 2348 N ILE A 148 -3.712 3.677 3.098 1.00 52.14 N ATOM 2349 CA ILE A 148 -4.020 2.282 2.758 1.00 12.50 C ATOM 2350 C ILE A 148 -5.264 2.257 1.849 1.00 60.12 C ATOM 2351 O ILE A 148 -6.323 2.762 2.226 1.00 45.15 O ATOM 2352 CB ILE A 148 -4.252 1.417 4.058 1.00 55.13 C ATOM 2353 CG1 ILE A 148 -2.966 1.407 4.958 1.00 40.02 C ATOM 2354 CG2 ILE A 148 -4.685 -0.014 3.688 1.00 12.11 C ATOM 2355 CD1 ILE A 148 -3.032 0.543 6.204 1.00 62.11 C ATOM 0 H ILE A 148 -4.533 4.219 3.368 1.00 52.14 H new ATOM 0 HA ILE A 148 -3.174 1.843 2.229 1.00 12.50 H new ATOM 0 HB ILE A 148 -5.057 1.872 4.634 1.00 55.13 H new ATOM 0 HG12 ILE A 148 -2.125 1.071 4.351 1.00 40.02 H new ATOM 0 HG13 ILE A 148 -2.751 2.432 5.262 1.00 40.02 H new ATOM 0 HG21 ILE A 148 -4.840 -0.594 4.598 1.00 12.11 H new ATOM 0 HG22 ILE A 148 -5.614 0.023 3.119 1.00 12.11 H new ATOM 0 HG23 ILE A 148 -3.908 -0.485 3.085 1.00 12.11 H new ATOM 0 HD11 ILE A 148 -2.089 0.614 6.746 1.00 62.11 H new ATOM 0 HD12 ILE A 148 -3.845 0.887 6.843 1.00 62.11 H new ATOM 0 HD13 ILE A 148 -3.209 -0.494 5.919 1.00 62.11 H new ATOM 2367 N ILE A 149 -5.111 1.677 0.645 1.00 31.02 N ATOM 2368 CA ILE A 149 -6.161 1.672 -0.390 1.00 23.03 C ATOM 2369 C ILE A 149 -6.836 0.290 -0.444 1.00 51.12 C ATOM 2370 O ILE A 149 -6.147 -0.730 -0.557 1.00 74.11 O ATOM 2371 CB ILE A 149 -5.562 2.008 -1.815 1.00 53.25 C ATOM 2372 CG1 ILE A 149 -4.617 3.255 -1.765 1.00 23.33 C ATOM 2373 CG2 ILE A 149 -6.679 2.204 -2.870 1.00 51.23 C ATOM 2374 CD1 ILE A 149 -5.227 4.533 -1.208 1.00 74.43 C ATOM 0 H ILE A 149 -4.256 1.198 0.362 1.00 31.02 H new ATOM 0 HA ILE A 149 -6.892 2.437 -0.128 1.00 23.03 H new ATOM 0 HB ILE A 149 -4.963 1.150 -2.119 1.00 53.25 H new ATOM 0 HG12 ILE A 149 -3.744 3.001 -1.164 1.00 23.33 H new ATOM 0 HG13 ILE A 149 -4.260 3.456 -2.775 1.00 23.33 H new ATOM 0 HG21 ILE A 149 -6.230 2.433 -3.837 1.00 51.23 H new ATOM 0 HG22 ILE A 149 -7.268 1.290 -2.951 1.00 51.23 H new ATOM 0 HG23 ILE A 149 -7.326 3.027 -2.566 1.00 51.23 H new ATOM 0 HD11 ILE A 149 -4.482 5.328 -1.222 1.00 74.43 H new ATOM 0 HD12 ILE A 149 -6.081 4.825 -1.819 1.00 74.43 H new ATOM 0 HD13 ILE A 149 -5.556 4.362 -0.183 1.00 74.43 H new ATOM 2386 N GLU A 150 -8.177 0.281 -0.360 1.00 63.40 N ATOM 2387 CA GLU A 150 -9.003 -0.921 -0.553 1.00 24.41 C ATOM 2388 C GLU A 150 -9.009 -1.312 -2.050 1.00 75.45 C ATOM 2389 O GLU A 150 -9.571 -0.597 -2.892 1.00 32.42 O ATOM 2390 CB GLU A 150 -10.457 -0.650 -0.055 1.00 1.42 C ATOM 2391 CG GLU A 150 -11.446 -1.838 -0.223 1.00 23.11 C ATOM 2392 CD GLU A 150 -12.933 -1.440 -0.090 1.00 20.10 C ATOM 2393 OE1 GLU A 150 -13.396 -0.605 -0.895 1.00 64.24 O ATOM 2394 OE2 GLU A 150 -13.657 -2.001 0.774 1.00 45.42 O ATOM 0 H GLU A 150 -8.723 1.118 -0.154 1.00 63.40 H new ATOM 0 HA GLU A 150 -8.585 -1.745 0.025 1.00 24.41 H new ATOM 0 HB2 GLU A 150 -10.418 -0.377 1.000 1.00 1.42 H new ATOM 0 HB3 GLU A 150 -10.854 0.211 -0.593 1.00 1.42 H new ATOM 0 HG2 GLU A 150 -11.288 -2.293 -1.201 1.00 23.11 H new ATOM 0 HG3 GLU A 150 -11.215 -2.598 0.524 1.00 23.11 H new ATOM 2401 N GLN A 151 -8.333 -2.426 -2.374 1.00 54.13 N ATOM 2402 CA GLN A 151 -8.309 -2.999 -3.733 1.00 50.25 C ATOM 2403 C GLN A 151 -8.971 -4.384 -3.677 1.00 73.23 C ATOM 2404 O GLN A 151 -8.377 -5.351 -3.206 1.00 34.14 O ATOM 2405 CB GLN A 151 -6.846 -3.092 -4.257 1.00 71.05 C ATOM 2406 CG GLN A 151 -6.114 -1.735 -4.342 1.00 44.33 C ATOM 2407 CD GLN A 151 -4.636 -1.878 -4.684 1.00 43.50 C ATOM 2408 OE1 GLN A 151 -4.001 -2.864 -4.324 1.00 24.35 O ATOM 2409 NE2 GLN A 151 -4.077 -0.895 -5.370 1.00 25.22 N ATOM 0 H GLN A 151 -7.785 -2.958 -1.699 1.00 54.13 H new ATOM 0 HA GLN A 151 -8.858 -2.361 -4.425 1.00 50.25 H new ATOM 0 HB2 GLN A 151 -6.280 -3.757 -3.604 1.00 71.05 H new ATOM 0 HB3 GLN A 151 -6.855 -3.549 -5.246 1.00 71.05 H new ATOM 0 HG2 GLN A 151 -6.598 -1.114 -5.096 1.00 44.33 H new ATOM 0 HG3 GLN A 151 -6.212 -1.215 -3.389 1.00 44.33 H new ATOM 0 HE21 GLN A 151 -4.635 -0.089 -5.653 1.00 25.22 H new ATOM 0 HE22 GLN A 151 -3.088 -0.943 -5.616 1.00 25.22 H new ATOM 2418 N ARG A 152 -10.227 -4.459 -4.138 1.00 10.01 N ATOM 2419 CA ARG A 152 -11.049 -5.685 -4.072 1.00 45.20 C ATOM 2420 C ARG A 152 -11.483 -6.111 -5.474 1.00 34.10 C ATOM 2421 O ARG A 152 -11.986 -5.292 -6.258 1.00 22.24 O ATOM 2422 CB ARG A 152 -12.276 -5.457 -3.146 1.00 72.00 C ATOM 2423 CG ARG A 152 -11.921 -5.578 -1.652 1.00 34.01 C ATOM 2424 CD ARG A 152 -13.031 -5.106 -0.720 1.00 63.40 C ATOM 2425 NE ARG A 152 -14.320 -5.779 -0.940 1.00 24.25 N ATOM 2426 CZ ARG A 152 -15.509 -5.313 -0.515 1.00 73.45 C ATOM 2427 NH1 ARG A 152 -15.591 -4.170 0.179 1.00 40.34 N ATOM 2428 NH2 ARG A 152 -16.616 -5.991 -0.787 1.00 71.22 N ATOM 0 H ARG A 152 -10.708 -3.670 -4.570 1.00 10.01 H new ATOM 0 HA ARG A 152 -10.451 -6.492 -3.649 1.00 45.20 H new ATOM 0 HB2 ARG A 152 -12.692 -4.468 -3.338 1.00 72.00 H new ATOM 0 HB3 ARG A 152 -13.052 -6.183 -3.391 1.00 72.00 H new ATOM 0 HG2 ARG A 152 -11.686 -6.618 -1.426 1.00 34.01 H new ATOM 0 HG3 ARG A 152 -11.020 -4.998 -1.453 1.00 34.01 H new ATOM 0 HD2 ARG A 152 -12.719 -5.268 0.312 1.00 63.40 H new ATOM 0 HD3 ARG A 152 -13.167 -4.032 -0.847 1.00 63.40 H new ATOM 0 HE ARG A 152 -14.312 -6.662 -1.451 1.00 24.25 H new ATOM 0 HH11 ARG A 152 -14.745 -3.641 0.392 1.00 40.34 H new ATOM 0 HH12 ARG A 152 -16.499 -3.829 0.495 1.00 40.34 H new ATOM 0 HH21 ARG A 152 -16.564 -6.861 -1.316 1.00 71.22 H new ATOM 0 HH22 ARG A 152 -17.519 -5.642 -0.467 1.00 71.22 H new ATOM 2442 N LEU A 153 -11.277 -7.405 -5.773 1.00 33.30 N ATOM 2443 CA LEU A 153 -11.757 -8.039 -7.015 1.00 72.13 C ATOM 2444 C LEU A 153 -13.290 -8.250 -6.960 1.00 63.22 C ATOM 2445 O LEU A 153 -13.936 -7.854 -5.982 1.00 24.12 O ATOM 2446 CB LEU A 153 -11.023 -9.388 -7.258 1.00 53.21 C ATOM 2447 CG LEU A 153 -9.478 -9.312 -7.504 1.00 72.44 C ATOM 2448 CD1 LEU A 153 -8.896 -10.712 -7.807 1.00 23.43 C ATOM 2449 CD2 LEU A 153 -9.119 -8.310 -8.624 1.00 34.25 C ATOM 0 H LEU A 153 -10.771 -8.043 -5.159 1.00 33.30 H new ATOM 0 HA LEU A 153 -11.534 -7.375 -7.850 1.00 72.13 H new ATOM 0 HB2 LEU A 153 -11.199 -10.032 -6.396 1.00 53.21 H new ATOM 0 HB3 LEU A 153 -11.481 -9.875 -8.119 1.00 53.21 H new ATOM 0 HG LEU A 153 -9.023 -8.944 -6.584 1.00 72.44 H new ATOM 0 HD11 LEU A 153 -7.822 -10.631 -7.974 1.00 23.43 H new ATOM 0 HD12 LEU A 153 -9.083 -11.374 -6.962 1.00 23.43 H new ATOM 0 HD13 LEU A 153 -9.372 -11.119 -8.699 1.00 23.43 H new ATOM 0 HD21 LEU A 153 -8.038 -8.289 -8.761 1.00 34.25 H new ATOM 0 HD22 LEU A 153 -9.597 -8.617 -9.554 1.00 34.25 H new ATOM 0 HD23 LEU A 153 -9.469 -7.315 -8.348 1.00 34.25 H new