USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 803 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 90 THR OG1 : rot 62:sc= 0.702 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -1.75 K(o=-1,f=-3.8) USER MOD Set 2.1: A 28 ASN : amide:sc= -0.823 K(o=-1.6,f=-4!) USER MOD Set 2.2: A 29 THR OG1 : rot -142:sc= -1.05 USER MOD Set 2.3: A 32 THR OG1 : rot 132:sc= 0.292 USER MOD Single : A 19 SER OG : rot 180:sc= -0.192 USER MOD Single : A 26 CYS SG : rot 34:sc= 0.132 USER MOD Single : A 27 GLN : amide:sc= -0.0919 X(o=-0.092,f=-0.13) USER MOD Single : A 37 SER OG : rot -39:sc= -0.253 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 72:sc= 0.0379 USER MOD Single : A 43 TYR OH : rot -77:sc= 1.2 USER MOD Single : A 46 ASN : amide:sc= -0.39 K(o=-0.39,f=-2!) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.498 F(o=-1.1,f=-0.5) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00177) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -17:sc= 0.016 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.0294 F(o=-1.1,f=-0.029) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -17:sc= -0.809 USER MOD Single : A 79 CYS SG : rot 130:sc= -3.15! USER MOD Single : A 83 MET CE :methyl -126:sc= -7.68! (180deg=-16.7!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 102 GLN :FLIP amide:sc= -2.05! C(o=-2.8!,f=-2!) USER MOD Single : A 104 GLN : amide:sc= -0.096 X(o=-0.096,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0.0632 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 201 N ALA A 18 12.089 -7.255 1.420 1.00 52.04 N ATOM 202 CA ALA A 18 11.247 -6.890 2.554 1.00 43.05 C ATOM 203 C ALA A 18 9.832 -6.547 2.100 1.00 64.41 C ATOM 204 O ALA A 18 9.633 -5.999 1.014 1.00 31.21 O ATOM 205 CB ALA A 18 11.859 -5.718 3.309 1.00 60.51 C ATOM 0 HA ALA A 18 11.188 -7.749 3.222 1.00 43.05 H new ATOM 0 HB1 ALA A 18 11.221 -5.456 4.153 1.00 60.51 H new ATOM 0 HB2 ALA A 18 12.847 -5.997 3.674 1.00 60.51 H new ATOM 0 HB3 ALA A 18 11.948 -4.861 2.641 1.00 60.51 H new ATOM 211 N SER A 19 8.853 -6.874 2.935 1.00 35.22 N ATOM 212 CA SER A 19 7.455 -6.604 2.618 1.00 32.30 C ATOM 213 C SER A 19 6.540 -7.088 3.739 1.00 10.30 C ATOM 214 O SER A 19 5.776 -8.039 3.584 1.00 34.52 O ATOM 215 CB SER A 19 7.069 -7.283 1.302 1.00 22.24 C ATOM 216 OG SER A 19 7.884 -8.414 1.054 1.00 24.15 O ATOM 0 H SER A 19 9.001 -7.327 3.837 1.00 35.22 H new ATOM 0 HA SER A 19 7.334 -5.526 2.513 1.00 32.30 H new ATOM 0 HB2 SER A 19 6.023 -7.586 1.339 1.00 22.24 H new ATOM 0 HB3 SER A 19 7.167 -6.573 0.481 1.00 22.24 H new ATOM 0 HG SER A 19 7.616 -8.831 0.208 1.00 24.15 H new ATOM 222 N PRO A 20 6.618 -6.416 4.897 1.00 3.52 N ATOM 223 CA PRO A 20 5.806 -6.758 6.068 1.00 14.33 C ATOM 224 C PRO A 20 4.331 -6.428 5.866 1.00 74.34 C ATOM 225 O PRO A 20 3.455 -7.200 6.252 1.00 31.35 O ATOM 226 CB PRO A 20 6.400 -5.887 7.179 1.00 75.12 C ATOM 227 CG PRO A 20 7.014 -4.731 6.467 1.00 24.44 C ATOM 228 CD PRO A 20 7.509 -5.270 5.153 1.00 71.42 C ATOM 0 HA PRO A 20 5.833 -7.826 6.284 1.00 14.33 H new ATOM 0 HB2 PRO A 20 5.631 -5.558 7.878 1.00 75.12 H new ATOM 0 HB3 PRO A 20 7.143 -6.436 7.758 1.00 75.12 H new ATOM 0 HG2 PRO A 20 6.285 -3.936 6.313 1.00 24.44 H new ATOM 0 HG3 PRO A 20 7.832 -4.305 7.047 1.00 24.44 H new ATOM 0 HD2 PRO A 20 7.441 -4.524 4.361 1.00 71.42 H new ATOM 0 HD3 PRO A 20 8.553 -5.578 5.213 1.00 71.42 H new ATOM 236 N ALA A 21 4.065 -5.277 5.256 1.00 53.45 N ATOM 237 CA ALA A 21 2.695 -4.848 5.000 1.00 43.41 C ATOM 238 C ALA A 21 1.973 -5.832 4.086 1.00 15.10 C ATOM 239 O ALA A 21 0.792 -6.122 4.280 1.00 40.00 O ATOM 240 CB ALA A 21 2.685 -3.455 4.389 1.00 55.01 C ATOM 0 H ALA A 21 4.779 -4.626 4.930 1.00 53.45 H new ATOM 0 HA ALA A 21 2.165 -4.821 5.952 1.00 43.41 H new ATOM 0 HB1 ALA A 21 1.656 -3.147 4.203 1.00 55.01 H new ATOM 0 HB2 ALA A 21 3.155 -2.753 5.077 1.00 55.01 H new ATOM 0 HB3 ALA A 21 3.236 -3.466 3.449 1.00 55.01 H new ATOM 246 N VAL A 22 2.689 -6.344 3.091 1.00 70.11 N ATOM 247 CA VAL A 22 2.116 -7.297 2.148 1.00 23.40 C ATOM 248 C VAL A 22 1.657 -8.565 2.859 1.00 33.14 C ATOM 249 O VAL A 22 0.548 -9.050 2.633 1.00 50.45 O ATOM 250 CB VAL A 22 3.126 -7.677 1.049 1.00 20.42 C ATOM 251 CG1 VAL A 22 2.445 -8.477 -0.050 1.00 73.12 C ATOM 252 CG2 VAL A 22 3.788 -6.430 0.481 1.00 35.11 C ATOM 0 H VAL A 22 3.668 -6.115 2.917 1.00 70.11 H new ATOM 0 HA VAL A 22 1.257 -6.809 1.689 1.00 23.40 H new ATOM 0 HB VAL A 22 3.901 -8.303 1.492 1.00 20.42 H new ATOM 0 HG11 VAL A 22 3.175 -8.736 -0.817 1.00 73.12 H new ATOM 0 HG12 VAL A 22 2.023 -9.389 0.372 1.00 73.12 H new ATOM 0 HG13 VAL A 22 1.648 -7.880 -0.494 1.00 73.12 H new ATOM 0 HG21 VAL A 22 4.499 -6.716 -0.294 1.00 35.11 H new ATOM 0 HG22 VAL A 22 3.027 -5.777 0.053 1.00 35.11 H new ATOM 0 HG23 VAL A 22 4.313 -5.902 1.277 1.00 35.11 H new ATOM 262 N ALA A 23 2.516 -9.099 3.722 1.00 70.20 N ATOM 263 CA ALA A 23 2.196 -10.309 4.469 1.00 1.40 C ATOM 264 C ALA A 23 1.070 -10.058 5.465 1.00 23.23 C ATOM 265 O ALA A 23 0.103 -10.817 5.524 1.00 12.34 O ATOM 266 CB ALA A 23 3.434 -10.827 5.188 1.00 65.34 C ATOM 0 H ALA A 23 3.439 -8.712 3.921 1.00 70.20 H new ATOM 0 HA ALA A 23 1.857 -11.065 3.761 1.00 1.40 H new ATOM 0 HB1 ALA A 23 3.181 -11.731 5.742 1.00 65.34 H new ATOM 0 HB2 ALA A 23 4.211 -11.054 4.458 1.00 65.34 H new ATOM 0 HB3 ALA A 23 3.798 -10.067 5.880 1.00 65.34 H new ATOM 272 N GLU A 24 1.203 -8.989 6.246 1.00 21.54 N ATOM 273 CA GLU A 24 0.195 -8.642 7.241 1.00 65.24 C ATOM 274 C GLU A 24 -1.145 -8.339 6.575 1.00 5.04 C ATOM 275 O GLU A 24 -2.204 -8.656 7.117 1.00 42.54 O ATOM 276 CB GLU A 24 0.654 -7.435 8.062 1.00 71.11 C ATOM 277 CG GLU A 24 1.583 -7.797 9.209 1.00 70.34 C ATOM 278 CD GLU A 24 1.913 -6.608 10.089 1.00 14.41 C ATOM 279 OE1 GLU A 24 0.975 -6.017 10.665 1.00 70.02 O ATOM 280 OE2 GLU A 24 3.109 -6.268 10.203 1.00 43.30 O ATOM 0 H GLU A 24 1.997 -8.350 6.209 1.00 21.54 H new ATOM 0 HA GLU A 24 0.066 -9.497 7.905 1.00 65.24 H new ATOM 0 HB2 GLU A 24 1.161 -6.730 7.403 1.00 71.11 H new ATOM 0 HB3 GLU A 24 -0.222 -6.924 8.462 1.00 71.11 H new ATOM 0 HG2 GLU A 24 1.120 -8.575 9.815 1.00 70.34 H new ATOM 0 HG3 GLU A 24 2.506 -8.214 8.806 1.00 70.34 H new ATOM 287 N LEU A 25 -1.088 -7.723 5.399 1.00 34.42 N ATOM 288 CA LEU A 25 -2.296 -7.377 4.659 1.00 55.04 C ATOM 289 C LEU A 25 -2.945 -8.621 4.061 1.00 41.31 C ATOM 290 O LEU A 25 -4.170 -8.747 4.045 1.00 1.12 O ATOM 291 CB LEU A 25 -1.968 -6.376 3.549 1.00 74.24 C ATOM 292 CG LEU A 25 -3.166 -5.778 2.810 1.00 25.22 C ATOM 293 CD1 LEU A 25 -4.180 -5.223 3.797 1.00 34.21 C ATOM 294 CD2 LEU A 25 -2.709 -4.694 1.845 1.00 32.24 C ATOM 0 H LEU A 25 -0.219 -7.453 4.938 1.00 34.42 H new ATOM 0 HA LEU A 25 -3.000 -6.922 5.355 1.00 55.04 H new ATOM 0 HB2 LEU A 25 -1.389 -5.560 3.982 1.00 74.24 H new ATOM 0 HB3 LEU A 25 -1.326 -6.870 2.820 1.00 74.24 H new ATOM 0 HG LEU A 25 -3.646 -6.570 2.235 1.00 25.22 H new ATOM 0 HD11 LEU A 25 -5.025 -4.802 3.252 1.00 34.21 H new ATOM 0 HD12 LEU A 25 -4.531 -6.024 4.448 1.00 34.21 H new ATOM 0 HD13 LEU A 25 -3.713 -4.444 4.400 1.00 34.21 H new ATOM 0 HD21 LEU A 25 -3.574 -4.279 1.328 1.00 32.24 H new ATOM 0 HD22 LEU A 25 -2.204 -3.903 2.399 1.00 32.24 H new ATOM 0 HD23 LEU A 25 -2.021 -5.122 1.116 1.00 32.24 H new ATOM 306 N CYS A 26 -2.116 -9.539 3.575 1.00 72.32 N ATOM 307 CA CYS A 26 -2.610 -10.775 2.978 1.00 51.43 C ATOM 308 C CYS A 26 -3.323 -11.633 4.017 1.00 61.14 C ATOM 309 O CYS A 26 -4.040 -12.574 3.673 1.00 1.43 O ATOM 310 CB CYS A 26 -1.455 -11.561 2.354 1.00 51.22 C ATOM 311 SG CYS A 26 -1.349 -11.413 0.556 1.00 44.21 S ATOM 0 H CYS A 26 -1.100 -9.451 3.583 1.00 72.32 H new ATOM 0 HA CYS A 26 -3.325 -10.513 2.198 1.00 51.43 H new ATOM 0 HB2 CYS A 26 -0.518 -11.218 2.792 1.00 51.22 H new ATOM 0 HB3 CYS A 26 -1.563 -12.614 2.616 1.00 51.22 H new ATOM 0 HG CYS A 26 -1.737 -10.226 0.195 1.00 44.21 H new ATOM 317 N GLN A 27 -3.119 -11.304 5.288 1.00 32.25 N ATOM 318 CA GLN A 27 -3.741 -12.049 6.379 1.00 63.13 C ATOM 319 C GLN A 27 -5.262 -11.967 6.295 1.00 32.42 C ATOM 320 O GLN A 27 -5.970 -12.766 6.906 1.00 73.14 O ATOM 321 CB GLN A 27 -3.263 -11.511 7.729 1.00 73.41 C ATOM 322 CG GLN A 27 -1.755 -11.558 7.904 1.00 24.44 C ATOM 323 CD GLN A 27 -1.329 -11.409 9.350 1.00 22.43 C ATOM 324 OE1 GLN A 27 -1.864 -10.576 10.083 1.00 0.41 O ATOM 325 NE2 GLN A 27 -0.364 -12.217 9.771 1.00 62.02 N ATOM 0 H GLN A 27 -2.529 -10.528 5.589 1.00 32.25 H new ATOM 0 HA GLN A 27 -3.446 -13.094 6.287 1.00 63.13 H new ATOM 0 HB2 GLN A 27 -3.601 -10.481 7.840 1.00 73.41 H new ATOM 0 HB3 GLN A 27 -3.731 -12.088 8.527 1.00 73.41 H new ATOM 0 HG2 GLN A 27 -1.377 -12.503 7.514 1.00 24.44 H new ATOM 0 HG3 GLN A 27 -1.300 -10.764 7.312 1.00 24.44 H new ATOM 0 HE21 GLN A 27 0.051 -12.893 9.130 1.00 62.02 H new ATOM 0 HE22 GLN A 27 -0.038 -12.162 10.736 1.00 62.02 H new ATOM 334 N ASN A 28 -5.757 -10.997 5.533 1.00 42.11 N ATOM 335 CA ASN A 28 -7.194 -10.811 5.369 1.00 15.14 C ATOM 336 C ASN A 28 -7.694 -11.518 4.113 1.00 32.03 C ATOM 337 O ASN A 28 -8.630 -12.317 4.167 1.00 74.42 O ATOM 338 CB ASN A 28 -7.532 -9.321 5.300 1.00 63.15 C ATOM 339 CG ASN A 28 -8.977 -9.073 4.911 1.00 11.52 C ATOM 340 OD1 ASN A 28 -9.259 -8.373 3.939 1.00 71.34 O ATOM 341 ND2 ASN A 28 -9.901 -9.649 5.671 1.00 15.35 N ATOM 0 H ASN A 28 -5.184 -10.328 5.019 1.00 42.11 H new ATOM 0 HA ASN A 28 -7.693 -11.249 6.233 1.00 15.14 H new ATOM 0 HB2 ASN A 28 -7.335 -8.861 6.269 1.00 63.15 H new ATOM 0 HB3 ASN A 28 -6.876 -8.835 4.578 1.00 63.15 H new ATOM 0 HD21 ASN A 28 -10.890 -9.519 5.458 1.00 15.35 H new ATOM 0 HD22 ASN A 28 -9.622 -10.222 6.468 1.00 15.35 H new ATOM 348 N THR A 29 -7.066 -11.217 2.981 1.00 1.12 N ATOM 349 CA THR A 29 -7.447 -11.822 1.711 1.00 5.55 C ATOM 350 C THR A 29 -6.470 -11.437 0.605 1.00 53.13 C ATOM 351 O THR A 29 -5.864 -10.366 0.624 1.00 64.43 O ATOM 352 CB THR A 29 -8.869 -11.402 1.293 1.00 32.05 C ATOM 353 OG1 THR A 29 -9.361 -10.392 2.180 1.00 50.21 O ATOM 354 CG2 THR A 29 -9.810 -12.597 1.306 1.00 33.42 C ATOM 0 H THR A 29 -6.291 -10.557 2.918 1.00 1.12 H new ATOM 0 HA THR A 29 -7.423 -12.902 1.855 1.00 5.55 H new ATOM 0 HB THR A 29 -8.825 -11.004 0.279 1.00 32.05 H new ATOM 0 HG1 THR A 29 -10.316 -10.538 2.345 1.00 50.21 H new ATOM 0 HG21 THR A 29 -10.808 -12.277 1.008 1.00 33.42 H new ATOM 0 HG22 THR A 29 -9.448 -13.353 0.609 1.00 33.42 H new ATOM 0 HG23 THR A 29 -9.849 -13.018 2.310 1.00 33.42 H new ATOM 362 N PRO A 30 -6.315 -12.329 -0.385 1.00 21.34 N ATOM 363 CA PRO A 30 -5.414 -12.105 -1.519 1.00 73.30 C ATOM 364 C PRO A 30 -5.921 -11.011 -2.453 1.00 22.22 C ATOM 365 O PRO A 30 -5.193 -10.074 -2.778 1.00 24.11 O ATOM 366 CB PRO A 30 -5.402 -13.458 -2.236 1.00 15.32 C ATOM 367 CG PRO A 30 -6.699 -14.093 -1.868 1.00 1.43 C ATOM 368 CD PRO A 30 -7.007 -13.627 -0.471 1.00 70.01 C ATOM 0 HA PRO A 30 -4.428 -11.770 -1.197 1.00 73.30 H new ATOM 0 HB2 PRO A 30 -5.314 -13.333 -3.315 1.00 15.32 H new ATOM 0 HB3 PRO A 30 -4.557 -14.068 -1.916 1.00 15.32 H new ATOM 0 HG2 PRO A 30 -7.488 -13.799 -2.560 1.00 1.43 H new ATOM 0 HG3 PRO A 30 -6.627 -15.180 -1.910 1.00 1.43 H new ATOM 0 HD2 PRO A 30 -8.080 -13.522 -0.310 1.00 70.01 H new ATOM 0 HD3 PRO A 30 -6.639 -14.329 0.277 1.00 70.01 H new ATOM 376 N GLU A 31 -7.174 -11.137 -2.881 1.00 3.11 N ATOM 377 CA GLU A 31 -7.776 -10.160 -3.779 1.00 10.43 C ATOM 378 C GLU A 31 -7.972 -8.822 -3.071 1.00 62.54 C ATOM 379 O GLU A 31 -7.814 -7.758 -3.674 1.00 63.02 O ATOM 380 CB GLU A 31 -9.118 -10.674 -4.303 1.00 53.21 C ATOM 381 CG GLU A 31 -9.746 -9.774 -5.355 1.00 50.10 C ATOM 382 CD GLU A 31 -9.694 -10.377 -6.745 1.00 32.32 C ATOM 383 OE1 GLU A 31 -10.029 -11.573 -6.885 1.00 14.43 O ATOM 384 OE2 GLU A 31 -9.319 -9.656 -7.693 1.00 0.23 O ATOM 0 H GLU A 31 -7.791 -11.906 -2.620 1.00 3.11 H new ATOM 0 HA GLU A 31 -7.100 -10.012 -4.621 1.00 10.43 H new ATOM 0 HB2 GLU A 31 -8.977 -11.669 -4.726 1.00 53.21 H new ATOM 0 HB3 GLU A 31 -9.809 -10.778 -3.467 1.00 53.21 H new ATOM 0 HG2 GLU A 31 -10.784 -9.578 -5.087 1.00 50.10 H new ATOM 0 HG3 GLU A 31 -9.231 -8.813 -5.360 1.00 50.10 H new ATOM 391 N THR A 32 -8.318 -8.881 -1.789 1.00 72.04 N ATOM 392 CA THR A 32 -8.538 -7.676 -1.001 1.00 32.11 C ATOM 393 C THR A 32 -7.231 -6.924 -0.770 1.00 55.42 C ATOM 394 O THR A 32 -7.193 -5.694 -0.824 1.00 61.14 O ATOM 395 CB THR A 32 -9.175 -8.005 0.362 1.00 32.05 C ATOM 396 OG1 THR A 32 -10.454 -8.618 0.169 1.00 21.32 O ATOM 397 CG2 THR A 32 -9.333 -6.747 1.205 1.00 30.01 C ATOM 0 H THR A 32 -8.452 -9.752 -1.275 1.00 72.04 H new ATOM 0 HA THR A 32 -9.221 -7.046 -1.571 1.00 32.11 H new ATOM 0 HB THR A 32 -8.516 -8.696 0.888 1.00 32.05 H new ATOM 0 HG1 THR A 32 -10.521 -9.419 0.730 1.00 21.32 H new ATOM 0 HG21 THR A 32 -9.785 -7.005 2.163 1.00 30.01 H new ATOM 0 HG22 THR A 32 -8.355 -6.298 1.375 1.00 30.01 H new ATOM 0 HG23 THR A 32 -9.973 -6.036 0.682 1.00 30.01 H new ATOM 405 N PHE A 33 -6.163 -7.670 -0.511 1.00 55.12 N ATOM 406 CA PHE A 33 -4.854 -7.073 -0.271 1.00 34.54 C ATOM 407 C PHE A 33 -4.411 -6.236 -1.467 1.00 43.24 C ATOM 408 O PHE A 33 -3.818 -5.168 -1.305 1.00 43.24 O ATOM 409 CB PHE A 33 -3.818 -8.163 0.016 1.00 72.03 C ATOM 410 CG PHE A 33 -2.519 -7.960 -0.712 1.00 35.44 C ATOM 411 CD1 PHE A 33 -2.326 -8.500 -1.975 1.00 13.02 C ATOM 412 CD2 PHE A 33 -1.492 -7.233 -0.134 1.00 54.41 C ATOM 413 CE1 PHE A 33 -1.132 -8.315 -2.646 1.00 71.24 C ATOM 414 CE2 PHE A 33 -0.298 -7.045 -0.801 1.00 24.02 C ATOM 415 CZ PHE A 33 -0.117 -7.587 -2.059 1.00 5.30 C ATOM 0 H PHE A 33 -6.178 -8.689 -0.462 1.00 55.12 H new ATOM 0 HA PHE A 33 -4.934 -6.419 0.598 1.00 34.54 H new ATOM 0 HB2 PHE A 33 -3.624 -8.196 1.088 1.00 72.03 H new ATOM 0 HB3 PHE A 33 -4.234 -9.131 -0.262 1.00 72.03 H new ATOM 0 HD1 PHE A 33 -3.117 -9.071 -2.439 1.00 13.02 H new ATOM 0 HD2 PHE A 33 -1.627 -6.808 0.850 1.00 54.41 H new ATOM 0 HE1 PHE A 33 -0.993 -8.740 -3.629 1.00 71.24 H new ATOM 0 HE2 PHE A 33 0.494 -6.474 -0.340 1.00 24.02 H new ATOM 0 HZ PHE A 33 0.817 -7.441 -2.582 1.00 5.30 H new ATOM 425 N LEU A 34 -4.702 -6.727 -2.665 1.00 43.25 N ATOM 426 CA LEU A 34 -4.334 -6.026 -3.890 1.00 51.44 C ATOM 427 C LEU A 34 -4.974 -4.641 -3.939 1.00 4.13 C ATOM 428 O LEU A 34 -4.312 -3.653 -4.252 1.00 41.32 O ATOM 429 CB LEU A 34 -4.757 -6.839 -5.115 1.00 41.22 C ATOM 430 CG LEU A 34 -3.643 -7.203 -6.095 1.00 63.32 C ATOM 431 CD1 LEU A 34 -2.843 -5.968 -6.479 1.00 34.10 C ATOM 432 CD2 LEU A 34 -2.732 -8.266 -5.498 1.00 32.01 C ATOM 0 H LEU A 34 -5.192 -7.609 -2.815 1.00 43.25 H new ATOM 0 HA LEU A 34 -3.251 -5.906 -3.898 1.00 51.44 H new ATOM 0 HB2 LEU A 34 -5.226 -7.761 -4.770 1.00 41.22 H new ATOM 0 HB3 LEU A 34 -5.519 -6.276 -5.654 1.00 41.22 H new ATOM 0 HG LEU A 34 -4.100 -7.609 -6.997 1.00 63.32 H new ATOM 0 HD11 LEU A 34 -2.054 -6.248 -7.177 1.00 34.10 H new ATOM 0 HD12 LEU A 34 -3.503 -5.239 -6.950 1.00 34.10 H new ATOM 0 HD13 LEU A 34 -2.398 -5.531 -5.585 1.00 34.10 H new ATOM 0 HD21 LEU A 34 -1.945 -8.512 -6.210 1.00 32.01 H new ATOM 0 HD22 LEU A 34 -2.284 -7.887 -4.579 1.00 32.01 H new ATOM 0 HD23 LEU A 34 -3.314 -9.161 -5.276 1.00 32.01 H new ATOM 444 N GLU A 35 -6.264 -4.580 -3.625 1.00 70.21 N ATOM 445 CA GLU A 35 -6.993 -3.318 -3.630 1.00 43.24 C ATOM 446 C GLU A 35 -6.591 -2.451 -2.440 1.00 22.01 C ATOM 447 O GLU A 35 -6.362 -1.251 -2.581 1.00 65.40 O ATOM 448 CB GLU A 35 -8.500 -3.573 -3.604 1.00 11.11 C ATOM 449 CG GLU A 35 -9.194 -3.268 -4.921 1.00 65.12 C ATOM 450 CD GLU A 35 -8.909 -1.865 -5.418 1.00 41.21 C ATOM 451 OE1 GLU A 35 -9.250 -0.900 -4.704 1.00 55.01 O ATOM 452 OE2 GLU A 35 -8.343 -1.731 -6.525 1.00 13.34 O ATOM 0 H GLU A 35 -6.826 -5.390 -3.364 1.00 70.21 H new ATOM 0 HA GLU A 35 -6.738 -2.786 -4.547 1.00 43.24 H new ATOM 0 HB2 GLU A 35 -8.679 -4.616 -3.342 1.00 11.11 H new ATOM 0 HB3 GLU A 35 -8.949 -2.966 -2.818 1.00 11.11 H new ATOM 0 HG2 GLU A 35 -8.872 -3.988 -5.673 1.00 65.12 H new ATOM 0 HG3 GLU A 35 -10.270 -3.395 -4.799 1.00 65.12 H new ATOM 459 N ALA A 36 -6.507 -3.071 -1.267 1.00 42.22 N ATOM 460 CA ALA A 36 -6.131 -2.359 -0.052 1.00 33.30 C ATOM 461 C ALA A 36 -4.733 -1.763 -0.175 1.00 50.22 C ATOM 462 O ALA A 36 -4.419 -0.755 0.458 1.00 51.14 O ATOM 463 CB ALA A 36 -6.207 -3.289 1.149 1.00 54.20 C ATOM 0 H ALA A 36 -6.694 -4.065 -1.133 1.00 42.22 H new ATOM 0 HA ALA A 36 -6.835 -1.539 0.092 1.00 33.30 H new ATOM 0 HB1 ALA A 36 -5.924 -2.744 2.050 1.00 54.20 H new ATOM 0 HB2 ALA A 36 -7.225 -3.662 1.256 1.00 54.20 H new ATOM 0 HB3 ALA A 36 -5.526 -4.128 1.003 1.00 54.20 H new ATOM 469 N SER A 37 -3.896 -2.393 -0.994 1.00 50.44 N ATOM 470 CA SER A 37 -2.529 -1.927 -1.196 1.00 1.04 C ATOM 471 C SER A 37 -2.467 -0.895 -2.317 1.00 71.24 C ATOM 472 O SER A 37 -1.656 0.031 -2.283 1.00 32.41 O ATOM 473 CB SER A 37 -1.610 -3.105 -1.520 1.00 43.34 C ATOM 474 OG SER A 37 -1.798 -3.546 -2.854 1.00 5.12 O ATOM 0 H SER A 37 -4.141 -3.227 -1.528 1.00 50.44 H new ATOM 0 HA SER A 37 -2.192 -1.455 -0.273 1.00 1.04 H new ATOM 0 HB2 SER A 37 -0.571 -2.811 -1.374 1.00 43.34 H new ATOM 0 HB3 SER A 37 -1.809 -3.926 -0.831 1.00 43.34 H new ATOM 0 HG SER A 37 -2.752 -3.515 -3.078 1.00 5.12 H new ATOM 480 N LYS A 38 -3.331 -1.061 -3.314 1.00 75.23 N ATOM 481 CA LYS A 38 -3.378 -0.144 -4.447 1.00 32.23 C ATOM 482 C LYS A 38 -3.547 1.296 -3.976 1.00 10.33 C ATOM 483 O LYS A 38 -2.859 2.201 -4.452 1.00 13.24 O ATOM 484 CB LYS A 38 -4.524 -0.521 -5.387 1.00 20.31 C ATOM 485 CG LYS A 38 -4.325 -0.040 -6.813 1.00 70.55 C ATOM 486 CD LYS A 38 -5.647 0.083 -7.551 1.00 71.52 C ATOM 487 CE LYS A 38 -6.480 1.239 -7.015 1.00 32.13 C ATOM 488 NZ LYS A 38 -6.796 2.234 -8.076 1.00 74.50 N ATOM 0 H LYS A 38 -4.008 -1.822 -3.360 1.00 75.23 H new ATOM 0 HA LYS A 38 -2.433 -0.223 -4.985 1.00 32.23 H new ATOM 0 HB2 LYS A 38 -4.638 -1.605 -5.391 1.00 20.31 H new ATOM 0 HB3 LYS A 38 -5.453 -0.104 -4.998 1.00 20.31 H new ATOM 0 HG2 LYS A 38 -3.821 0.926 -6.805 1.00 70.55 H new ATOM 0 HG3 LYS A 38 -3.674 -0.734 -7.344 1.00 70.55 H new ATOM 0 HD2 LYS A 38 -5.459 0.231 -8.614 1.00 71.52 H new ATOM 0 HD3 LYS A 38 -6.207 -0.847 -7.453 1.00 71.52 H new ATOM 0 HE2 LYS A 38 -7.407 0.853 -6.592 1.00 32.13 H new ATOM 0 HE3 LYS A 38 -5.941 1.731 -6.205 1.00 32.13 H new ATOM 0 HZ1 LYS A 38 -7.364 3.005 -7.671 1.00 74.50 H new ATOM 0 HZ2 LYS A 38 -5.912 2.622 -8.463 1.00 74.50 H new ATOM 0 HZ3 LYS A 38 -7.333 1.771 -8.837 1.00 74.50 H new ATOM 502 N LEU A 39 -4.464 1.504 -3.038 1.00 52.21 N ATOM 503 CA LEU A 39 -4.723 2.834 -2.500 1.00 43.31 C ATOM 504 C LEU A 39 -3.463 3.419 -1.867 1.00 14.50 C ATOM 505 O LEU A 39 -3.125 4.582 -2.092 1.00 14.53 O ATOM 506 CB LEU A 39 -5.848 2.780 -1.466 1.00 75.30 C ATOM 507 CG LEU A 39 -7.069 1.944 -1.850 1.00 34.42 C ATOM 508 CD1 LEU A 39 -7.309 0.847 -0.822 1.00 41.04 C ATOM 509 CD2 LEU A 39 -8.301 2.828 -1.984 1.00 50.21 C ATOM 0 H LEU A 39 -5.042 0.767 -2.634 1.00 52.21 H new ATOM 0 HA LEU A 39 -5.028 3.479 -3.324 1.00 43.31 H new ATOM 0 HB2 LEU A 39 -5.441 2.386 -0.535 1.00 75.30 H new ATOM 0 HB3 LEU A 39 -6.178 3.799 -1.264 1.00 75.30 H new ATOM 0 HG LEU A 39 -6.875 1.476 -2.815 1.00 34.42 H new ATOM 0 HD11 LEU A 39 -8.182 0.262 -1.111 1.00 41.04 H new ATOM 0 HD12 LEU A 39 -6.436 0.196 -0.774 1.00 41.04 H new ATOM 0 HD13 LEU A 39 -7.481 1.296 0.156 1.00 41.04 H new ATOM 0 HD21 LEU A 39 -9.160 2.216 -2.258 1.00 50.21 H new ATOM 0 HD22 LEU A 39 -8.497 3.325 -1.034 1.00 50.21 H new ATOM 0 HD23 LEU A 39 -8.129 3.577 -2.756 1.00 50.21 H new ATOM 521 N LEU A 40 -2.773 2.606 -1.074 1.00 60.23 N ATOM 522 CA LEU A 40 -1.550 3.041 -0.409 1.00 44.14 C ATOM 523 C LEU A 40 -0.496 3.463 -1.429 1.00 71.32 C ATOM 524 O LEU A 40 0.225 4.440 -1.225 1.00 3.03 O ATOM 525 CB LEU A 40 -1.000 1.921 0.475 1.00 33.23 C ATOM 526 CG LEU A 40 -2.004 1.258 1.418 1.00 1.14 C ATOM 527 CD1 LEU A 40 -1.402 0.011 2.048 1.00 3.41 C ATOM 528 CD2 LEU A 40 -2.452 2.237 2.494 1.00 32.30 C ATOM 0 H LEU A 40 -3.040 1.642 -0.876 1.00 60.23 H new ATOM 0 HA LEU A 40 -1.792 3.902 0.214 1.00 44.14 H new ATOM 0 HB2 LEU A 40 -0.574 1.152 -0.170 1.00 33.23 H new ATOM 0 HB3 LEU A 40 -0.182 2.325 1.072 1.00 33.23 H new ATOM 0 HG LEU A 40 -2.877 0.962 0.837 1.00 1.14 H new ATOM 0 HD11 LEU A 40 -2.131 -0.447 2.716 1.00 3.41 H new ATOM 0 HD12 LEU A 40 -1.131 -0.698 1.265 1.00 3.41 H new ATOM 0 HD13 LEU A 40 -0.512 0.283 2.615 1.00 3.41 H new ATOM 0 HD21 LEU A 40 -3.166 1.748 3.156 1.00 32.30 H new ATOM 0 HD22 LEU A 40 -1.587 2.564 3.071 1.00 32.30 H new ATOM 0 HD23 LEU A 40 -2.924 3.101 2.026 1.00 32.30 H new ATOM 540 N LEU A 41 -0.415 2.721 -2.528 1.00 24.23 N ATOM 541 CA LEU A 41 0.550 3.018 -3.581 1.00 51.05 C ATOM 542 C LEU A 41 0.241 4.360 -4.239 1.00 60.23 C ATOM 543 O LEU A 41 1.143 5.155 -4.506 1.00 2.10 O ATOM 544 CB LEU A 41 0.544 1.908 -4.634 1.00 43.14 C ATOM 545 CG LEU A 41 1.451 2.126 -5.845 1.00 53.01 C ATOM 546 CD1 LEU A 41 0.753 2.989 -6.885 1.00 73.53 C ATOM 547 CD2 LEU A 41 2.767 2.761 -5.420 1.00 15.52 C ATOM 0 H LEU A 41 -1.005 1.910 -2.713 1.00 24.23 H new ATOM 0 HA LEU A 41 1.540 3.075 -3.128 1.00 51.05 H new ATOM 0 HB2 LEU A 41 0.835 0.975 -4.151 1.00 43.14 H new ATOM 0 HB3 LEU A 41 -0.478 1.778 -4.990 1.00 43.14 H new ATOM 0 HG LEU A 41 1.667 1.156 -6.292 1.00 53.01 H new ATOM 0 HD11 LEU A 41 1.413 3.134 -7.740 1.00 73.53 H new ATOM 0 HD12 LEU A 41 -0.162 2.495 -7.213 1.00 73.53 H new ATOM 0 HD13 LEU A 41 0.507 3.957 -6.449 1.00 73.53 H new ATOM 0 HD21 LEU A 41 3.399 2.908 -6.296 1.00 15.52 H new ATOM 0 HD22 LEU A 41 2.571 3.724 -4.948 1.00 15.52 H new ATOM 0 HD23 LEU A 41 3.275 2.106 -4.712 1.00 15.52 H new ATOM 559 N THR A 42 -1.040 4.606 -4.495 1.00 72.01 N ATOM 560 CA THR A 42 -1.468 5.852 -5.120 1.00 21.33 C ATOM 561 C THR A 42 -1.220 7.041 -4.200 1.00 70.13 C ATOM 562 O THR A 42 -0.772 8.099 -4.644 1.00 4.23 O ATOM 563 CB THR A 42 -2.962 5.808 -5.494 1.00 5.02 C ATOM 564 OG1 THR A 42 -3.201 4.755 -6.435 1.00 51.24 O ATOM 565 CG2 THR A 42 -3.411 7.135 -6.085 1.00 60.35 C ATOM 0 H THR A 42 -1.799 3.959 -4.279 1.00 72.01 H new ATOM 0 HA THR A 42 -0.877 5.970 -6.028 1.00 21.33 H new ATOM 0 HB THR A 42 -3.536 5.620 -4.586 1.00 5.02 H new ATOM 0 HG1 THR A 42 -3.131 3.889 -5.982 1.00 51.24 H new ATOM 0 HG21 THR A 42 -4.469 7.080 -6.341 1.00 60.35 H new ATOM 0 HG22 THR A 42 -3.255 7.930 -5.355 1.00 60.35 H new ATOM 0 HG23 THR A 42 -2.831 7.348 -6.983 1.00 60.35 H new ATOM 573 N TYR A 43 -1.516 6.864 -2.918 1.00 1.25 N ATOM 574 CA TYR A 43 -1.327 7.924 -1.935 1.00 1.15 C ATOM 575 C TYR A 43 0.143 8.317 -1.834 1.00 63.44 C ATOM 576 O TYR A 43 0.479 9.500 -1.783 1.00 72.12 O ATOM 577 CB TYR A 43 -1.842 7.477 -0.566 1.00 11.33 C ATOM 578 CG TYR A 43 -3.342 7.296 -0.513 1.00 72.43 C ATOM 579 CD1 TYR A 43 -4.194 8.200 -1.136 1.00 70.33 C ATOM 580 CD2 TYR A 43 -3.908 6.219 0.160 1.00 71.21 C ATOM 581 CE1 TYR A 43 -5.565 8.038 -1.090 1.00 54.14 C ATOM 582 CE2 TYR A 43 -5.278 6.050 0.211 1.00 32.32 C ATOM 583 CZ TYR A 43 -6.102 6.962 -0.416 1.00 34.50 C ATOM 584 OH TYR A 43 -7.468 6.796 -0.368 1.00 14.21 O ATOM 0 H TYR A 43 -1.888 5.995 -2.534 1.00 1.25 H new ATOM 0 HA TYR A 43 -1.896 8.794 -2.263 1.00 1.15 H new ATOM 0 HB2 TYR A 43 -1.361 6.537 -0.296 1.00 11.33 H new ATOM 0 HB3 TYR A 43 -1.547 8.213 0.182 1.00 11.33 H new ATOM 0 HD1 TYR A 43 -3.777 9.044 -1.665 1.00 70.33 H new ATOM 0 HD2 TYR A 43 -3.266 5.503 0.651 1.00 71.21 H new ATOM 0 HE1 TYR A 43 -6.213 8.750 -1.579 1.00 54.14 H new ATOM 0 HE2 TYR A 43 -5.702 5.209 0.739 1.00 32.32 H new ATOM 0 HH TYR A 43 -7.851 7.420 0.283 1.00 14.21 H new ATOM 594 N ALA A 44 1.016 7.315 -1.805 1.00 41.44 N ATOM 595 CA ALA A 44 2.451 7.555 -1.714 1.00 42.31 C ATOM 596 C ALA A 44 2.981 8.206 -2.986 1.00 43.41 C ATOM 597 O ALA A 44 3.971 8.939 -2.954 1.00 54.42 O ATOM 598 CB ALA A 44 3.187 6.252 -1.438 1.00 62.01 C ATOM 0 H ALA A 44 0.755 6.330 -1.843 1.00 41.44 H new ATOM 0 HA ALA A 44 2.628 8.242 -0.886 1.00 42.31 H new ATOM 0 HB1 ALA A 44 4.258 6.446 -1.372 1.00 62.01 H new ATOM 0 HB2 ALA A 44 2.837 5.829 -0.497 1.00 62.01 H new ATOM 0 HB3 ALA A 44 2.995 5.547 -2.247 1.00 62.01 H new ATOM 604 N ASP A 45 2.320 7.933 -4.105 1.00 64.20 N ATOM 605 CA ASP A 45 2.725 8.492 -5.389 1.00 44.42 C ATOM 606 C ASP A 45 2.751 10.016 -5.333 1.00 41.15 C ATOM 607 O ASP A 45 3.711 10.647 -5.775 1.00 44.12 O ATOM 608 CB ASP A 45 1.777 8.027 -6.495 1.00 30.41 C ATOM 609 CG ASP A 45 2.474 7.886 -7.834 1.00 73.22 C ATOM 610 OD1 ASP A 45 3.481 8.588 -8.055 1.00 43.23 O ATOM 611 OD2 ASP A 45 2.011 7.071 -8.660 1.00 11.23 O ATOM 0 H ASP A 45 1.500 7.327 -4.149 1.00 64.20 H new ATOM 0 HA ASP A 45 3.731 8.136 -5.611 1.00 44.42 H new ATOM 0 HB2 ASP A 45 1.338 7.069 -6.215 1.00 30.41 H new ATOM 0 HB3 ASP A 45 0.956 8.738 -6.589 1.00 30.41 H new ATOM 616 N ASN A 46 1.689 10.602 -4.789 1.00 43.43 N ATOM 617 CA ASN A 46 1.590 12.053 -4.677 1.00 51.41 C ATOM 618 C ASN A 46 2.712 12.609 -3.805 1.00 43.12 C ATOM 619 O ASN A 46 3.222 13.702 -4.055 1.00 53.13 O ATOM 620 CB ASN A 46 0.233 12.448 -4.095 1.00 52.04 C ATOM 621 CG ASN A 46 -0.885 12.352 -5.116 1.00 3.34 C ATOM 622 OD1 ASN A 46 -0.641 12.105 -6.297 1.00 55.53 O ATOM 623 ND2 ASN A 46 -2.118 12.545 -4.664 1.00 15.21 N ATOM 0 H ASN A 46 0.885 10.095 -4.419 1.00 43.43 H new ATOM 0 HA ASN A 46 1.687 12.478 -5.676 1.00 51.41 H new ATOM 0 HB2 ASN A 46 0.003 11.803 -3.247 1.00 52.04 H new ATOM 0 HB3 ASN A 46 0.287 13.468 -3.714 1.00 52.04 H new ATOM 0 HD21 ASN A 46 -2.910 12.491 -5.304 1.00 15.21 H new ATOM 0 HD22 ASN A 46 -2.273 12.747 -3.676 1.00 15.21 H new ATOM 630 N ILE A 47 3.090 11.851 -2.781 1.00 63.00 N ATOM 631 CA ILE A 47 4.153 12.267 -1.874 1.00 74.44 C ATOM 632 C ILE A 47 5.481 12.407 -2.610 1.00 11.41 C ATOM 633 O ILE A 47 6.190 13.401 -2.449 1.00 61.42 O ATOM 634 CB ILE A 47 4.323 11.270 -0.713 1.00 3.41 C ATOM 635 CG1 ILE A 47 2.960 10.900 -0.125 1.00 50.22 C ATOM 636 CG2 ILE A 47 5.228 11.857 0.360 1.00 33.31 C ATOM 637 CD1 ILE A 47 2.132 12.099 0.282 1.00 55.23 C ATOM 0 H ILE A 47 2.676 10.946 -2.559 1.00 63.00 H new ATOM 0 HA ILE A 47 3.862 13.237 -1.470 1.00 74.44 H new ATOM 0 HB ILE A 47 4.789 10.363 -1.098 1.00 3.41 H new ATOM 0 HG12 ILE A 47 2.403 10.316 -0.858 1.00 50.22 H new ATOM 0 HG13 ILE A 47 3.110 10.260 0.745 1.00 50.22 H new ATOM 0 HG21 ILE A 47 5.339 11.141 1.174 1.00 33.31 H new ATOM 0 HG22 ILE A 47 6.207 12.074 -0.068 1.00 33.31 H new ATOM 0 HG23 ILE A 47 4.788 12.777 0.744 1.00 33.31 H new ATOM 0 HD11 ILE A 47 1.179 11.762 0.690 1.00 55.23 H new ATOM 0 HD12 ILE A 47 2.668 12.672 1.038 1.00 55.23 H new ATOM 0 HD13 ILE A 47 1.951 12.729 -0.589 1.00 55.23 H new ATOM 649 N LEU A 48 5.812 11.406 -3.418 1.00 32.15 N ATOM 650 CA LEU A 48 7.055 11.417 -4.180 1.00 71.41 C ATOM 651 C LEU A 48 7.019 12.489 -5.265 1.00 31.10 C ATOM 652 O LEU A 48 8.046 13.076 -5.605 1.00 63.21 O ATOM 653 CB LEU A 48 7.302 10.046 -4.812 1.00 33.53 C ATOM 654 CG LEU A 48 7.528 8.889 -3.837 1.00 41.02 C ATOM 655 CD1 LEU A 48 7.110 7.570 -4.469 1.00 11.01 C ATOM 656 CD2 LEU A 48 8.985 8.836 -3.402 1.00 14.41 C ATOM 0 H LEU A 48 5.237 10.576 -3.562 1.00 32.15 H new ATOM 0 HA LEU A 48 7.870 11.646 -3.494 1.00 71.41 H new ATOM 0 HB2 LEU A 48 6.449 9.801 -5.445 1.00 33.53 H new ATOM 0 HB3 LEU A 48 8.172 10.120 -5.465 1.00 33.53 H new ATOM 0 HG LEU A 48 6.912 9.057 -2.954 1.00 41.02 H new ATOM 0 HD11 LEU A 48 7.278 6.758 -3.761 1.00 11.01 H new ATOM 0 HD12 LEU A 48 6.053 7.611 -4.731 1.00 11.01 H new ATOM 0 HD13 LEU A 48 7.700 7.395 -5.369 1.00 11.01 H new ATOM 0 HD21 LEU A 48 9.128 8.007 -2.709 1.00 14.41 H new ATOM 0 HD22 LEU A 48 9.621 8.692 -4.276 1.00 14.41 H new ATOM 0 HD23 LEU A 48 9.252 9.771 -2.910 1.00 14.41 H new ATOM 668 N ARG A 49 5.829 12.741 -5.801 1.00 3.40 N ATOM 669 CA ARG A 49 5.659 13.745 -6.844 1.00 65.35 C ATOM 670 C ARG A 49 5.955 15.143 -6.310 1.00 14.24 C ATOM 671 O ARG A 49 6.644 15.932 -6.955 1.00 54.25 O ATOM 672 CB ARG A 49 4.238 13.691 -7.406 1.00 52.24 C ATOM 673 CG ARG A 49 3.993 12.519 -8.339 1.00 23.45 C ATOM 674 CD ARG A 49 4.891 12.585 -9.565 1.00 2.13 C ATOM 675 NE ARG A 49 4.122 12.640 -10.804 1.00 72.12 N ATOM 676 CZ ARG A 49 4.665 12.848 -11.999 1.00 44.22 C ATOM 677 NH1 ARG A 49 5.975 13.019 -12.113 1.00 55.15 N ATOM 678 NH2 ARG A 49 3.899 12.884 -13.081 1.00 34.54 N ATOM 0 H ARG A 49 4.969 12.264 -5.530 1.00 3.40 H new ATOM 0 HA ARG A 49 6.367 13.525 -7.643 1.00 65.35 H new ATOM 0 HB2 ARG A 49 3.531 13.638 -6.578 1.00 52.24 H new ATOM 0 HB3 ARG A 49 4.033 14.618 -7.941 1.00 52.24 H new ATOM 0 HG2 ARG A 49 4.171 11.585 -7.806 1.00 23.45 H new ATOM 0 HG3 ARG A 49 2.949 12.513 -8.651 1.00 23.45 H new ATOM 0 HD2 ARG A 49 5.533 13.463 -9.497 1.00 2.13 H new ATOM 0 HD3 ARG A 49 5.545 11.713 -9.583 1.00 2.13 H new ATOM 0 HE ARG A 49 3.112 12.512 -10.750 1.00 72.12 H new ATOM 0 HH11 ARG A 49 6.567 12.991 -11.283 1.00 55.15 H new ATOM 0 HH12 ARG A 49 6.391 13.179 -13.031 1.00 55.15 H new ATOM 0 HH21 ARG A 49 2.891 12.752 -12.997 1.00 34.54 H new ATOM 0 HH22 ARG A 49 4.318 13.044 -13.997 1.00 34.54 H new ATOM 692 N ASN A 50 5.431 15.441 -5.126 1.00 33.44 N ATOM 693 CA ASN A 50 5.636 16.744 -4.504 1.00 65.15 C ATOM 694 C ASN A 50 5.793 16.606 -2.993 1.00 61.03 C ATOM 695 O ASN A 50 4.933 17.021 -2.215 1.00 5.44 O ATOM 696 CB ASN A 50 4.466 17.676 -4.824 1.00 42.41 C ATOM 697 CG ASN A 50 4.070 17.626 -6.287 1.00 25.20 C ATOM 698 OD1 ASN A 50 3.271 16.632 -6.650 1.00 22.04 O flip ATOM 699 ND2 ASN A 50 4.480 18.473 -7.082 1.00 21.32 N flip ATOM 0 H ASN A 50 4.861 14.797 -4.577 1.00 33.44 H new ATOM 0 HA ASN A 50 6.553 17.172 -4.909 1.00 65.15 H new ATOM 0 HB2 ASN A 50 3.609 17.403 -4.209 1.00 42.41 H new ATOM 0 HB3 ASN A 50 4.736 18.698 -4.558 1.00 42.41 H new ATOM 0 HD21 ASN A 50 5.094 19.221 -6.759 1.00 21.32 H new ATOM 0 HD22 ASN A 50 4.206 18.426 -8.063 1.00 21.32 H new ATOM 706 N PRO A 51 6.917 16.012 -2.566 1.00 2.34 N ATOM 707 CA PRO A 51 7.213 15.808 -1.144 1.00 24.22 C ATOM 708 C PRO A 51 7.515 17.115 -0.422 1.00 15.54 C ATOM 709 O PRO A 51 7.269 17.243 0.778 1.00 4.05 O ATOM 710 CB PRO A 51 8.454 14.911 -1.168 1.00 13.23 C ATOM 711 CG PRO A 51 9.103 15.195 -2.478 1.00 10.50 C ATOM 712 CD PRO A 51 7.985 15.494 -3.437 1.00 41.00 C ATOM 0 HA PRO A 51 6.367 15.377 -0.608 1.00 24.22 H new ATOM 0 HB2 PRO A 51 9.123 15.138 -0.338 1.00 13.23 H new ATOM 0 HB3 PRO A 51 8.183 13.859 -1.080 1.00 13.23 H new ATOM 0 HG2 PRO A 51 9.787 16.040 -2.400 1.00 10.50 H new ATOM 0 HG3 PRO A 51 9.690 14.341 -2.816 1.00 10.50 H new ATOM 0 HD2 PRO A 51 8.284 16.227 -4.186 1.00 41.00 H new ATOM 0 HD3 PRO A 51 7.667 14.601 -3.975 1.00 41.00 H new ATOM 720 N SER A 52 8.047 18.085 -1.159 1.00 14.33 N ATOM 721 CA SER A 52 8.384 19.383 -0.586 1.00 12.41 C ATOM 722 C SER A 52 7.142 20.259 -0.454 1.00 74.31 C ATOM 723 O SER A 52 7.020 21.046 0.485 1.00 73.05 O ATOM 724 CB SER A 52 9.431 20.089 -1.451 1.00 14.34 C ATOM 725 OG SER A 52 10.576 19.275 -1.630 1.00 64.22 O ATOM 0 H SER A 52 8.254 17.997 -2.154 1.00 14.33 H new ATOM 0 HA SER A 52 8.796 19.217 0.409 1.00 12.41 H new ATOM 0 HB2 SER A 52 9.000 20.335 -2.422 1.00 14.34 H new ATOM 0 HB3 SER A 52 9.719 21.030 -0.983 1.00 14.34 H new ATOM 0 HG SER A 52 11.229 19.747 -2.187 1.00 64.22 H new ATOM 731 N ASP A 53 6.223 20.115 -1.402 1.00 74.13 N ATOM 732 CA ASP A 53 4.988 20.892 -1.394 1.00 31.44 C ATOM 733 C ASP A 53 4.093 20.476 -0.229 1.00 45.30 C ATOM 734 O ASP A 53 3.458 19.424 -0.267 1.00 3.23 O ATOM 735 CB ASP A 53 4.239 20.715 -2.715 1.00 10.12 C ATOM 736 CG ASP A 53 5.084 21.098 -3.915 1.00 3.33 C ATOM 737 OD1 ASP A 53 6.138 20.462 -4.126 1.00 32.10 O ATOM 738 OD2 ASP A 53 4.692 22.035 -4.642 1.00 32.35 O ATOM 0 H ASP A 53 6.309 19.468 -2.186 1.00 74.13 H new ATOM 0 HA ASP A 53 5.250 21.943 -1.272 1.00 31.44 H new ATOM 0 HB2 ASP A 53 3.922 19.677 -2.814 1.00 10.12 H new ATOM 0 HB3 ASP A 53 3.335 21.324 -2.701 1.00 10.12 H new ATOM 743 N GLU A 54 4.049 21.312 0.804 1.00 62.41 N ATOM 744 CA GLU A 54 3.234 21.031 1.979 1.00 20.31 C ATOM 745 C GLU A 54 1.765 20.876 1.598 1.00 13.23 C ATOM 746 O GLU A 54 0.993 20.223 2.302 1.00 21.10 O ATOM 747 CB GLU A 54 3.389 22.147 3.014 1.00 5.35 C ATOM 748 CG GLU A 54 4.366 21.813 4.129 1.00 62.25 C ATOM 749 CD GLU A 54 4.566 22.965 5.093 1.00 10.45 C ATOM 750 OE1 GLU A 54 5.260 23.934 4.724 1.00 44.12 O ATOM 751 OE2 GLU A 54 4.029 22.896 6.220 1.00 43.13 O ATOM 0 H GLU A 54 4.568 22.189 0.850 1.00 62.41 H new ATOM 0 HA GLU A 54 3.580 20.093 2.413 1.00 20.31 H new ATOM 0 HB2 GLU A 54 3.722 23.054 2.510 1.00 5.35 H new ATOM 0 HB3 GLU A 54 2.414 22.364 3.450 1.00 5.35 H new ATOM 0 HG2 GLU A 54 4.002 20.944 4.677 1.00 62.25 H new ATOM 0 HG3 GLU A 54 5.327 21.537 3.695 1.00 62.25 H new ATOM 758 N LYS A 55 1.383 21.482 0.479 1.00 21.03 N ATOM 759 CA LYS A 55 0.008 21.412 0.002 1.00 72.33 C ATOM 760 C LYS A 55 -0.303 20.029 -0.563 1.00 12.33 C ATOM 761 O LYS A 55 -1.457 19.597 -0.573 1.00 42.23 O ATOM 762 CB LYS A 55 -0.237 22.478 -1.070 1.00 74.31 C ATOM 763 CG LYS A 55 0.688 22.359 -2.267 1.00 42.45 C ATOM 764 CD LYS A 55 0.150 21.377 -3.293 1.00 60.43 C ATOM 765 CE LYS A 55 0.301 21.910 -4.710 1.00 42.20 C ATOM 766 NZ LYS A 55 1.730 22.048 -5.101 1.00 21.41 N ATOM 0 H LYS A 55 2.008 22.028 -0.115 1.00 21.03 H new ATOM 0 HA LYS A 55 -0.653 21.597 0.849 1.00 72.33 H new ATOM 0 HB2 LYS A 55 -1.270 22.408 -1.411 1.00 74.31 H new ATOM 0 HB3 LYS A 55 -0.115 23.465 -0.624 1.00 74.31 H new ATOM 0 HG2 LYS A 55 0.813 23.338 -2.730 1.00 42.45 H new ATOM 0 HG3 LYS A 55 1.674 22.035 -1.935 1.00 42.45 H new ATOM 0 HD2 LYS A 55 0.679 20.428 -3.202 1.00 60.43 H new ATOM 0 HD3 LYS A 55 -0.902 21.176 -3.089 1.00 60.43 H new ATOM 0 HE2 LYS A 55 -0.203 21.239 -5.406 1.00 42.20 H new ATOM 0 HE3 LYS A 55 -0.192 22.879 -4.788 1.00 42.20 H new ATOM 0 HZ1 LYS A 55 1.790 22.398 -6.079 1.00 21.41 H new ATOM 0 HZ2 LYS A 55 2.201 22.721 -4.463 1.00 21.41 H new ATOM 0 HZ3 LYS A 55 2.199 21.122 -5.035 1.00 21.41 H new ATOM 780 N TYR A 56 0.732 19.340 -1.029 1.00 35.50 N ATOM 781 CA TYR A 56 0.567 18.005 -1.595 1.00 1.14 C ATOM 782 C TYR A 56 0.855 16.932 -0.550 1.00 24.33 C ATOM 783 O TYR A 56 0.905 15.742 -0.864 1.00 2.13 O ATOM 784 CB TYR A 56 1.493 17.822 -2.799 1.00 51.53 C ATOM 785 CG TYR A 56 0.795 17.270 -4.021 1.00 53.21 C ATOM 786 CD1 TYR A 56 -0.028 18.076 -4.798 1.00 41.20 C ATOM 787 CD2 TYR A 56 0.958 15.943 -4.398 1.00 2.23 C ATOM 788 CE1 TYR A 56 -0.669 17.575 -5.915 1.00 42.01 C ATOM 789 CE2 TYR A 56 0.323 15.434 -5.515 1.00 44.22 C ATOM 790 CZ TYR A 56 -0.490 16.254 -6.269 1.00 24.03 C ATOM 791 OH TYR A 56 -1.125 15.751 -7.381 1.00 74.14 O ATOM 0 H TYR A 56 1.693 19.682 -1.027 1.00 35.50 H new ATOM 0 HA TYR A 56 -0.468 17.900 -1.921 1.00 1.14 H new ATOM 0 HB2 TYR A 56 1.942 18.783 -3.050 1.00 51.53 H new ATOM 0 HB3 TYR A 56 2.307 17.152 -2.522 1.00 51.53 H new ATOM 0 HD1 TYR A 56 -0.169 19.111 -4.524 1.00 41.20 H new ATOM 0 HD2 TYR A 56 1.592 15.298 -3.808 1.00 2.23 H new ATOM 0 HE1 TYR A 56 -1.307 18.214 -6.508 1.00 42.01 H new ATOM 0 HE2 TYR A 56 0.463 14.400 -5.796 1.00 44.22 H new ATOM 0 HH TYR A 56 -0.892 14.805 -7.491 1.00 74.14 H new ATOM 801 N ARG A 57 1.044 17.359 0.693 1.00 14.50 N ATOM 802 CA ARG A 57 1.327 16.436 1.786 1.00 51.24 C ATOM 803 C ARG A 57 0.036 15.863 2.362 1.00 45.11 C ATOM 804 O ARG A 57 0.060 15.108 3.333 1.00 15.33 O ATOM 805 CB ARG A 57 2.120 17.143 2.887 1.00 50.43 C ATOM 806 CG ARG A 57 3.614 16.873 2.831 1.00 52.52 C ATOM 807 CD ARG A 57 4.184 16.606 4.216 1.00 63.13 C ATOM 808 NE ARG A 57 5.454 17.296 4.427 1.00 75.11 N ATOM 809 CZ ARG A 57 6.617 16.855 3.960 1.00 14.23 C ATOM 810 NH1 ARG A 57 6.670 15.731 3.260 1.00 63.30 N ATOM 811 NH2 ARG A 57 7.730 17.539 4.194 1.00 54.23 N ATOM 0 H ARG A 57 1.006 18.340 0.970 1.00 14.50 H new ATOM 0 HA ARG A 57 1.923 15.614 1.389 1.00 51.24 H new ATOM 0 HB2 ARG A 57 1.951 18.217 2.812 1.00 50.43 H new ATOM 0 HB3 ARG A 57 1.738 16.827 3.858 1.00 50.43 H new ATOM 0 HG2 ARG A 57 3.806 16.016 2.186 1.00 52.52 H new ATOM 0 HG3 ARG A 57 4.123 17.728 2.385 1.00 52.52 H new ATOM 0 HD2 ARG A 57 3.467 16.927 4.971 1.00 63.13 H new ATOM 0 HD3 ARG A 57 4.328 15.534 4.349 1.00 63.13 H new ATOM 0 HE ARG A 57 5.448 18.164 4.962 1.00 75.11 H new ATOM 0 HH11 ARG A 57 5.817 15.202 3.079 1.00 63.30 H new ATOM 0 HH12 ARG A 57 7.564 15.395 2.903 1.00 63.30 H new ATOM 0 HH21 ARG A 57 7.693 18.404 4.733 1.00 54.23 H new ATOM 0 HH22 ARG A 57 8.622 17.199 3.835 1.00 54.23 H new ATOM 825 N SER A 58 -1.089 16.229 1.755 1.00 22.24 N ATOM 826 CA SER A 58 -2.391 15.753 2.211 1.00 53.23 C ATOM 827 C SER A 58 -2.922 14.657 1.292 1.00 60.21 C ATOM 828 O SER A 58 -2.494 14.534 0.143 1.00 75.31 O ATOM 829 CB SER A 58 -3.388 16.912 2.269 1.00 31.30 C ATOM 830 OG SER A 58 -4.242 16.795 3.394 1.00 12.42 O ATOM 0 H SER A 58 -1.126 16.852 0.948 1.00 22.24 H new ATOM 0 HA SER A 58 -2.268 15.336 3.211 1.00 53.23 H new ATOM 0 HB2 SER A 58 -2.848 17.858 2.315 1.00 31.30 H new ATOM 0 HB3 SER A 58 -3.984 16.929 1.356 1.00 31.30 H new ATOM 0 HG SER A 58 -4.199 15.880 3.743 1.00 12.42 H new ATOM 836 N ILE A 59 -3.854 13.863 1.807 1.00 51.32 N ATOM 837 CA ILE A 59 -4.444 12.777 1.032 1.00 13.23 C ATOM 838 C ILE A 59 -5.900 12.551 1.423 1.00 32.14 C ATOM 839 O ILE A 59 -6.197 12.184 2.561 1.00 54.11 O ATOM 840 CB ILE A 59 -3.663 11.464 1.220 1.00 24.44 C ATOM 841 CG1 ILE A 59 -3.214 11.315 2.675 1.00 41.21 C ATOM 842 CG2 ILE A 59 -2.465 11.420 0.283 1.00 54.22 C ATOM 843 CD1 ILE A 59 -3.065 9.877 3.119 1.00 30.23 C ATOM 0 H ILE A 59 -4.217 13.950 2.756 1.00 51.32 H new ATOM 0 HA ILE A 59 -4.394 13.073 -0.016 1.00 13.23 H new ATOM 0 HB ILE A 59 -4.321 10.630 0.976 1.00 24.44 H new ATOM 0 HG12 ILE A 59 -2.261 11.828 2.807 1.00 41.21 H new ATOM 0 HG13 ILE A 59 -3.936 11.813 3.322 1.00 41.21 H new ATOM 0 HG21 ILE A 59 -1.923 10.485 0.428 1.00 54.22 H new ATOM 0 HG22 ILE A 59 -2.808 11.484 -0.750 1.00 54.22 H new ATOM 0 HG23 ILE A 59 -1.804 12.260 0.498 1.00 54.22 H new ATOM 0 HD11 ILE A 59 -2.744 9.849 4.160 1.00 30.23 H new ATOM 0 HD12 ILE A 59 -4.022 9.365 3.020 1.00 30.23 H new ATOM 0 HD13 ILE A 59 -2.321 9.379 2.497 1.00 30.23 H new ATOM 855 N ARG A 60 -6.803 12.769 0.475 1.00 42.02 N ATOM 856 CA ARG A 60 -8.229 12.589 0.719 1.00 14.54 C ATOM 857 C ARG A 60 -8.538 11.142 1.093 1.00 1.31 C ATOM 858 O ARG A 60 -7.968 10.209 0.525 1.00 50.23 O ATOM 859 CB ARG A 60 -9.036 12.992 -0.516 1.00 34.23 C ATOM 860 CG ARG A 60 -8.874 12.035 -1.686 1.00 53.04 C ATOM 861 CD ARG A 60 -8.717 12.785 -3.000 1.00 51.45 C ATOM 862 NE ARG A 60 -9.729 13.824 -3.163 1.00 13.54 N ATOM 863 CZ ARG A 60 -9.637 14.807 -4.052 1.00 15.32 C ATOM 864 NH1 ARG A 60 -8.586 14.883 -4.854 1.00 61.04 N ATOM 865 NH2 ARG A 60 -10.600 15.716 -4.139 1.00 61.22 N ATOM 0 H ARG A 60 -6.573 13.071 -0.472 1.00 42.02 H new ATOM 0 HA ARG A 60 -8.513 13.231 1.553 1.00 14.54 H new ATOM 0 HB2 ARG A 60 -10.091 13.050 -0.248 1.00 34.23 H new ATOM 0 HB3 ARG A 60 -8.731 13.991 -0.829 1.00 34.23 H new ATOM 0 HG2 ARG A 60 -8.003 11.401 -1.521 1.00 53.04 H new ATOM 0 HG3 ARG A 60 -9.741 11.377 -1.742 1.00 53.04 H new ATOM 0 HD2 ARG A 60 -7.725 13.235 -3.044 1.00 51.45 H new ATOM 0 HD3 ARG A 60 -8.784 12.081 -3.829 1.00 51.45 H new ATOM 0 HE ARG A 60 -10.552 13.794 -2.561 1.00 13.54 H new ATOM 0 HH11 ARG A 60 -7.844 14.186 -4.790 1.00 61.04 H new ATOM 0 HH12 ARG A 60 -8.518 15.639 -5.536 1.00 61.04 H new ATOM 0 HH21 ARG A 60 -11.411 15.660 -3.523 1.00 61.22 H new ATOM 0 HH22 ARG A 60 -10.529 16.471 -4.822 1.00 61.22 H new ATOM 879 N ILE A 61 -9.440 10.963 2.051 1.00 64.40 N ATOM 880 CA ILE A 61 -9.824 9.631 2.499 1.00 24.40 C ATOM 881 C ILE A 61 -10.198 8.739 1.318 1.00 52.44 C ATOM 882 O ILE A 61 -9.439 7.852 0.932 1.00 63.43 O ATOM 883 CB ILE A 61 -11.008 9.686 3.481 1.00 32.15 C ATOM 884 CG1 ILE A 61 -10.597 10.399 4.770 1.00 21.25 C ATOM 885 CG2 ILE A 61 -11.512 8.282 3.783 1.00 61.23 C ATOM 886 CD1 ILE A 61 -11.767 10.952 5.555 1.00 23.23 C ATOM 0 H ILE A 61 -9.919 11.724 2.532 1.00 64.40 H new ATOM 0 HA ILE A 61 -8.958 9.209 3.010 1.00 24.40 H new ATOM 0 HB ILE A 61 -11.818 10.250 3.019 1.00 32.15 H new ATOM 0 HG12 ILE A 61 -10.044 9.703 5.400 1.00 21.25 H new ATOM 0 HG13 ILE A 61 -9.917 11.215 4.523 1.00 21.25 H new ATOM 0 HG21 ILE A 61 -12.349 8.338 4.479 1.00 61.23 H new ATOM 0 HG22 ILE A 61 -11.839 7.806 2.859 1.00 61.23 H new ATOM 0 HG23 ILE A 61 -10.709 7.695 4.228 1.00 61.23 H new ATOM 0 HD11 ILE A 61 -11.401 11.444 6.456 1.00 23.23 H new ATOM 0 HD12 ILE A 61 -12.308 11.673 4.942 1.00 23.23 H new ATOM 0 HD13 ILE A 61 -12.436 10.138 5.833 1.00 23.23 H new ATOM 898 N GLY A 62 -11.374 8.985 0.748 1.00 42.32 N ATOM 899 CA GLY A 62 -11.828 8.198 -0.384 1.00 12.12 C ATOM 900 C GLY A 62 -13.310 7.888 -0.317 1.00 45.22 C ATOM 901 O GLY A 62 -13.730 6.768 -0.604 1.00 51.12 O ATOM 0 H GLY A 62 -12.020 9.715 1.050 1.00 42.32 H new ATOM 0 HA2 GLY A 62 -11.614 8.737 -1.307 1.00 12.12 H new ATOM 0 HA3 GLY A 62 -11.266 7.265 -0.423 1.00 12.12 H new ATOM 905 N ASN A 63 -14.104 8.882 0.064 1.00 35.12 N ATOM 906 CA ASN A 63 -15.549 8.709 0.170 1.00 15.43 C ATOM 907 C ASN A 63 -15.893 7.605 1.166 1.00 4.40 C ATOM 908 O ASN A 63 -15.013 7.058 1.832 1.00 63.42 O ATOM 909 CB ASN A 63 -16.146 8.382 -1.199 1.00 23.04 C ATOM 910 CG ASN A 63 -15.969 9.514 -2.193 1.00 2.43 C ATOM 911 OD1 ASN A 63 -14.733 9.735 -2.624 1.00 50.30 O flip ATOM 912 ND2 ASN A 63 -16.933 10.182 -2.568 1.00 0.33 N flip ATOM 0 H ASN A 63 -13.772 9.816 0.305 1.00 35.12 H new ATOM 0 HA ASN A 63 -15.977 9.644 0.530 1.00 15.43 H new ATOM 0 HB2 ASN A 63 -15.675 7.481 -1.592 1.00 23.04 H new ATOM 0 HB3 ASN A 63 -17.208 8.164 -1.086 1.00 23.04 H new ATOM 0 HD21 ASN A 63 -17.866 9.977 -2.210 1.00 0.33 H new ATOM 0 HD22 ASN A 63 -16.799 10.941 -3.236 1.00 0.33 H new ATOM 919 N THR A 64 -17.178 7.280 1.260 1.00 74.14 N ATOM 920 CA THR A 64 -17.639 6.241 2.172 1.00 61.00 C ATOM 921 C THR A 64 -17.021 4.891 1.825 1.00 72.11 C ATOM 922 O THR A 64 -17.010 3.975 2.647 1.00 4.12 O ATOM 923 CB THR A 64 -19.174 6.112 2.147 1.00 31.24 C ATOM 924 OG1 THR A 64 -19.753 7.265 1.525 1.00 61.20 O ATOM 925 CG2 THR A 64 -19.728 5.959 3.556 1.00 25.24 C ATOM 0 H THR A 64 -17.919 7.722 0.715 1.00 74.14 H new ATOM 0 HA THR A 64 -17.323 6.536 3.173 1.00 61.00 H new ATOM 0 HB THR A 64 -19.432 5.222 1.573 1.00 31.24 H new ATOM 0 HG1 THR A 64 -20.729 7.174 1.512 1.00 61.20 H new ATOM 0 HG21 THR A 64 -20.813 5.870 3.512 1.00 25.24 H new ATOM 0 HG22 THR A 64 -19.309 5.065 4.017 1.00 25.24 H new ATOM 0 HG23 THR A 64 -19.459 6.833 4.149 1.00 25.24 H new ATOM 933 N ALA A 65 -16.508 4.776 0.606 1.00 61.44 N ATOM 934 CA ALA A 65 -15.885 3.539 0.152 1.00 51.13 C ATOM 935 C ALA A 65 -14.708 3.158 1.042 1.00 41.13 C ATOM 936 O ALA A 65 -14.438 1.977 1.260 1.00 22.24 O ATOM 937 CB ALA A 65 -15.434 3.675 -1.296 1.00 32.35 C ATOM 0 H ALA A 65 -16.511 5.525 -0.086 1.00 61.44 H new ATOM 0 HA ALA A 65 -16.627 2.743 0.216 1.00 51.13 H new ATOM 0 HB1 ALA A 65 -14.971 2.744 -1.622 1.00 32.35 H new ATOM 0 HB2 ALA A 65 -16.296 3.891 -1.927 1.00 32.35 H new ATOM 0 HB3 ALA A 65 -14.712 4.487 -1.377 1.00 32.35 H new ATOM 943 N PHE A 66 -14.009 4.166 1.554 1.00 63.02 N ATOM 944 CA PHE A 66 -12.858 3.936 2.419 1.00 35.11 C ATOM 945 C PHE A 66 -13.290 3.315 3.745 1.00 44.02 C ATOM 946 O PHE A 66 -12.701 2.336 4.205 1.00 41.33 O ATOM 947 CB PHE A 66 -12.117 5.249 2.677 1.00 24.03 C ATOM 948 CG PHE A 66 -11.055 5.143 3.734 1.00 23.53 C ATOM 949 CD1 PHE A 66 -11.378 5.275 5.074 1.00 40.40 C ATOM 950 CD2 PHE A 66 -9.735 4.907 3.387 1.00 1.31 C ATOM 951 CE1 PHE A 66 -10.404 5.177 6.051 1.00 61.52 C ATOM 952 CE2 PHE A 66 -8.757 4.807 4.358 1.00 1.22 C ATOM 953 CZ PHE A 66 -9.091 4.943 5.692 1.00 55.01 C ATOM 0 H PHE A 66 -14.220 5.150 1.385 1.00 63.02 H new ATOM 0 HA PHE A 66 -12.188 3.241 1.913 1.00 35.11 H new ATOM 0 HB2 PHE A 66 -11.660 5.587 1.747 1.00 24.03 H new ATOM 0 HB3 PHE A 66 -12.838 6.011 2.973 1.00 24.03 H new ATOM 0 HD1 PHE A 66 -12.403 5.457 5.360 1.00 40.40 H new ATOM 0 HD2 PHE A 66 -9.467 4.800 2.346 1.00 1.31 H new ATOM 0 HE1 PHE A 66 -10.670 5.283 7.092 1.00 61.52 H new ATOM 0 HE2 PHE A 66 -7.731 4.623 4.074 1.00 1.22 H new ATOM 0 HZ PHE A 66 -8.327 4.867 6.452 1.00 55.01 H new ATOM 963 N SER A 67 -14.322 3.890 4.353 1.00 65.11 N ATOM 964 CA SER A 67 -14.830 3.397 5.627 1.00 61.33 C ATOM 965 C SER A 67 -15.488 2.031 5.458 1.00 44.30 C ATOM 966 O SER A 67 -15.616 1.267 6.415 1.00 71.45 O ATOM 967 CB SER A 67 -15.833 4.389 6.218 1.00 32.21 C ATOM 968 OG SER A 67 -16.282 3.962 7.493 1.00 32.43 O ATOM 0 H SER A 67 -14.823 4.698 3.984 1.00 65.11 H new ATOM 0 HA SER A 67 -13.987 3.293 6.310 1.00 61.33 H new ATOM 0 HB2 SER A 67 -15.370 5.372 6.303 1.00 32.21 H new ATOM 0 HB3 SER A 67 -16.684 4.494 5.546 1.00 32.21 H new ATOM 0 HG SER A 67 -16.921 4.614 7.850 1.00 32.43 H new ATOM 974 N THR A 68 -15.902 1.730 4.231 1.00 3.02 N ATOM 975 CA THR A 68 -16.548 0.456 3.934 1.00 51.50 C ATOM 976 C THR A 68 -15.516 -0.630 3.654 1.00 34.53 C ATOM 977 O THR A 68 -15.649 -1.760 4.125 1.00 10.31 O ATOM 978 CB THR A 68 -17.493 0.576 2.723 1.00 25.34 C ATOM 979 OG1 THR A 68 -16.750 0.945 1.556 1.00 64.10 O ATOM 980 CG2 THR A 68 -18.580 1.606 2.984 1.00 73.23 C ATOM 0 H THR A 68 -15.802 2.350 3.427 1.00 3.02 H new ATOM 0 HA THR A 68 -17.130 0.182 4.814 1.00 51.50 H new ATOM 0 HB THR A 68 -17.965 -0.393 2.562 1.00 25.34 H new ATOM 0 HG1 THR A 68 -15.878 1.304 1.823 1.00 64.10 H new ATOM 0 HG21 THR A 68 -19.234 1.673 2.115 1.00 73.23 H new ATOM 0 HG22 THR A 68 -19.163 1.307 3.855 1.00 73.23 H new ATOM 0 HG23 THR A 68 -18.123 2.578 3.170 1.00 73.23 H new ATOM 988 N ARG A 69 -14.490 -0.283 2.886 1.00 54.42 N ATOM 989 CA ARG A 69 -13.436 -1.231 2.544 1.00 42.44 C ATOM 990 C ARG A 69 -12.068 -0.557 2.577 1.00 2.45 C ATOM 991 O ARG A 69 -11.493 -0.240 1.535 1.00 31.34 O ATOM 992 CB ARG A 69 -13.688 -1.827 1.157 1.00 13.54 C ATOM 993 CG ARG A 69 -12.991 -3.159 0.933 1.00 65.10 C ATOM 994 CD ARG A 69 -11.529 -2.966 0.557 1.00 1.11 C ATOM 995 NE ARG A 69 -11.376 -2.149 -0.643 1.00 31.14 N ATOM 996 CZ ARG A 69 -11.616 -2.595 -1.871 1.00 24.43 C ATOM 997 NH1 ARG A 69 -12.019 -3.844 -2.060 1.00 24.12 N ATOM 998 NH2 ARG A 69 -11.452 -1.791 -2.914 1.00 14.20 N ATOM 0 H ARG A 69 -14.365 0.648 2.488 1.00 54.42 H new ATOM 0 HA ARG A 69 -13.447 -2.031 3.284 1.00 42.44 H new ATOM 0 HB2 ARG A 69 -14.761 -1.959 1.017 1.00 13.54 H new ATOM 0 HB3 ARG A 69 -13.352 -1.119 0.400 1.00 13.54 H new ATOM 0 HG2 ARG A 69 -13.059 -3.763 1.838 1.00 65.10 H new ATOM 0 HG3 ARG A 69 -13.501 -3.710 0.143 1.00 65.10 H new ATOM 0 HD2 ARG A 69 -11.001 -2.495 1.386 1.00 1.11 H new ATOM 0 HD3 ARG A 69 -11.065 -3.939 0.395 1.00 1.11 H new ATOM 0 HE ARG A 69 -11.068 -1.183 -0.533 1.00 31.14 H new ATOM 0 HH11 ARG A 69 -12.146 -4.465 -1.261 1.00 24.12 H new ATOM 0 HH12 ARG A 69 -12.202 -4.183 -3.004 1.00 24.12 H new ATOM 0 HH21 ARG A 69 -11.141 -0.830 -2.773 1.00 14.20 H new ATOM 0 HH22 ARG A 69 -11.637 -2.134 -3.857 1.00 14.20 H new ATOM 1012 N LEU A 70 -11.550 -0.340 3.782 1.00 71.31 N ATOM 1013 CA LEU A 70 -10.249 0.297 3.953 1.00 64.42 C ATOM 1014 C LEU A 70 -9.963 0.564 5.428 1.00 62.25 C ATOM 1015 O LEU A 70 -8.811 0.539 5.861 1.00 44.52 O ATOM 1016 CB LEU A 70 -10.191 1.606 3.164 1.00 30.53 C ATOM 1017 CG LEU A 70 -9.096 1.703 2.104 1.00 44.13 C ATOM 1018 CD1 LEU A 70 -9.547 2.583 0.948 1.00 41.35 C ATOM 1019 CD2 LEU A 70 -7.809 2.240 2.713 1.00 34.13 C ATOM 0 H LEU A 70 -12.012 -0.596 4.655 1.00 71.31 H new ATOM 0 HA LEU A 70 -9.487 -0.382 3.572 1.00 64.42 H new ATOM 0 HB2 LEU A 70 -11.154 1.756 2.677 1.00 30.53 H new ATOM 0 HB3 LEU A 70 -10.059 2.426 3.869 1.00 30.53 H new ATOM 0 HG LEU A 70 -8.903 0.702 1.718 1.00 44.13 H new ATOM 0 HD11 LEU A 70 -8.753 2.640 0.203 1.00 41.35 H new ATOM 0 HD12 LEU A 70 -10.441 2.157 0.494 1.00 41.35 H new ATOM 0 HD13 LEU A 70 -9.770 3.584 1.318 1.00 41.35 H new ATOM 0 HD21 LEU A 70 -7.040 2.302 1.943 1.00 34.13 H new ATOM 0 HD22 LEU A 70 -7.989 3.232 3.127 1.00 34.13 H new ATOM 0 HD23 LEU A 70 -7.475 1.571 3.506 1.00 34.13 H new ATOM 1031 N LEU A 71 -11.018 0.818 6.192 1.00 63.13 N ATOM 1032 CA LEU A 71 -10.881 1.088 7.619 1.00 50.01 C ATOM 1033 C LEU A 71 -10.822 -0.211 8.416 1.00 72.12 C ATOM 1034 O LEU A 71 -9.840 -0.504 9.099 1.00 11.13 O ATOM 1035 CB LEU A 71 -12.048 1.948 8.110 1.00 50.03 C ATOM 1036 CG LEU A 71 -11.679 3.321 8.673 1.00 34.20 C ATOM 1037 CD1 LEU A 71 -12.752 4.343 8.329 1.00 70.01 C ATOM 1038 CD2 LEU A 71 -11.478 3.243 10.179 1.00 23.23 C ATOM 0 H LEU A 71 -11.978 0.843 5.848 1.00 63.13 H new ATOM 0 HA LEU A 71 -9.948 1.630 7.773 1.00 50.01 H new ATOM 0 HB2 LEU A 71 -12.741 2.092 7.281 1.00 50.03 H new ATOM 0 HB3 LEU A 71 -12.583 1.393 8.881 1.00 50.03 H new ATOM 0 HG LEU A 71 -10.742 3.640 8.218 1.00 34.20 H new ATOM 0 HD11 LEU A 71 -12.473 5.314 8.737 1.00 70.01 H new ATOM 0 HD12 LEU A 71 -12.848 4.419 7.246 1.00 70.01 H new ATOM 0 HD13 LEU A 71 -13.704 4.029 8.757 1.00 70.01 H new ATOM 0 HD21 LEU A 71 -11.216 4.229 10.563 1.00 23.23 H new ATOM 0 HD22 LEU A 71 -12.399 2.903 10.652 1.00 23.23 H new ATOM 0 HD23 LEU A 71 -10.675 2.541 10.403 1.00 23.23 H new ATOM 1050 N PRO A 72 -11.896 -1.010 8.326 1.00 2.52 N ATOM 1051 CA PRO A 72 -11.988 -2.292 9.030 1.00 44.12 C ATOM 1052 C PRO A 72 -11.038 -3.339 8.456 1.00 54.12 C ATOM 1053 O PRO A 72 -10.908 -4.438 8.997 1.00 53.34 O ATOM 1054 CB PRO A 72 -13.443 -2.715 8.810 1.00 53.50 C ATOM 1055 CG PRO A 72 -13.850 -2.028 7.552 1.00 11.44 C ATOM 1056 CD PRO A 72 -13.100 -0.724 7.530 1.00 33.51 C ATOM 0 HA PRO A 72 -11.710 -2.200 10.080 1.00 44.12 H new ATOM 0 HB2 PRO A 72 -13.531 -3.797 8.716 1.00 53.50 H new ATOM 0 HB3 PRO A 72 -14.074 -2.415 9.647 1.00 53.50 H new ATOM 0 HG2 PRO A 72 -13.605 -2.634 6.680 1.00 11.44 H new ATOM 0 HG3 PRO A 72 -14.927 -1.859 7.530 1.00 11.44 H new ATOM 0 HD2 PRO A 72 -12.847 -0.423 6.513 1.00 33.51 H new ATOM 0 HD3 PRO A 72 -13.687 0.085 7.966 1.00 33.51 H new ATOM 1064 N VAL A 73 -10.376 -2.992 7.357 1.00 14.42 N ATOM 1065 CA VAL A 73 -9.437 -3.900 6.711 1.00 44.12 C ATOM 1066 C VAL A 73 -8.179 -4.082 7.554 1.00 32.20 C ATOM 1067 O VAL A 73 -7.616 -3.114 8.063 1.00 4.10 O ATOM 1068 CB VAL A 73 -9.035 -3.392 5.314 1.00 71.44 C ATOM 1069 CG1 VAL A 73 -8.115 -2.187 5.428 1.00 63.15 C ATOM 1070 CG2 VAL A 73 -8.376 -4.504 4.511 1.00 11.30 C ATOM 0 H VAL A 73 -10.473 -2.088 6.895 1.00 14.42 H new ATOM 0 HA VAL A 73 -9.945 -4.859 6.609 1.00 44.12 H new ATOM 0 HB VAL A 73 -9.937 -3.081 4.787 1.00 71.44 H new ATOM 0 HG11 VAL A 73 -7.842 -1.842 4.431 1.00 63.15 H new ATOM 0 HG12 VAL A 73 -8.628 -1.386 5.961 1.00 63.15 H new ATOM 0 HG13 VAL A 73 -7.214 -2.467 5.974 1.00 63.15 H new ATOM 0 HG21 VAL A 73 -8.099 -4.127 3.527 1.00 11.30 H new ATOM 0 HG22 VAL A 73 -7.483 -4.849 5.032 1.00 11.30 H new ATOM 0 HG23 VAL A 73 -9.074 -5.334 4.398 1.00 11.30 H new ATOM 1080 N ARG A 74 -7.745 -5.330 7.696 1.00 13.41 N ATOM 1081 CA ARG A 74 -6.554 -5.639 8.479 1.00 72.54 C ATOM 1082 C ARG A 74 -5.298 -5.552 7.616 1.00 71.44 C ATOM 1083 O ARG A 74 -5.070 -6.395 6.749 1.00 41.13 O ATOM 1084 CB ARG A 74 -6.669 -7.037 9.091 1.00 71.53 C ATOM 1085 CG ARG A 74 -7.047 -7.028 10.563 1.00 23.01 C ATOM 1086 CD ARG A 74 -8.285 -6.181 10.815 1.00 4.43 C ATOM 1087 NE ARG A 74 -8.688 -6.206 12.218 1.00 15.43 N ATOM 1088 CZ ARG A 74 -8.078 -5.508 13.170 1.00 72.43 C ATOM 1089 NH1 ARG A 74 -7.044 -4.735 12.871 1.00 65.04 N ATOM 1090 NH2 ARG A 74 -8.505 -5.583 14.425 1.00 44.20 N ATOM 0 H ARG A 74 -8.199 -6.143 7.280 1.00 13.41 H new ATOM 0 HA ARG A 74 -6.475 -4.904 9.280 1.00 72.54 H new ATOM 0 HB2 ARG A 74 -7.415 -7.607 8.537 1.00 71.53 H new ATOM 0 HB3 ARG A 74 -5.718 -7.556 8.972 1.00 71.53 H new ATOM 0 HG2 ARG A 74 -7.229 -8.049 10.899 1.00 23.01 H new ATOM 0 HG3 ARG A 74 -6.215 -6.642 11.151 1.00 23.01 H new ATOM 0 HD2 ARG A 74 -8.088 -5.152 10.512 1.00 4.43 H new ATOM 0 HD3 ARG A 74 -9.105 -6.544 10.196 1.00 4.43 H new ATOM 0 HE ARG A 74 -9.481 -6.791 12.482 1.00 15.43 H new ATOM 0 HH11 ARG A 74 -6.714 -4.675 11.908 1.00 65.04 H new ATOM 0 HH12 ARG A 74 -6.578 -4.200 13.604 1.00 65.04 H new ATOM 0 HH21 ARG A 74 -9.301 -6.176 14.658 1.00 44.20 H new ATOM 0 HH22 ARG A 74 -8.037 -5.047 15.156 1.00 44.20 H new ATOM 1104 N GLY A 75 -4.490 -4.526 7.859 1.00 42.43 N ATOM 1105 CA GLY A 75 -3.268 -4.346 7.095 1.00 15.25 C ATOM 1106 C GLY A 75 -3.093 -2.922 6.609 1.00 64.03 C ATOM 1107 O GLY A 75 -1.995 -2.371 6.661 1.00 20.44 O ATOM 0 H GLY A 75 -4.659 -3.815 8.571 1.00 42.43 H new ATOM 0 HA2 GLY A 75 -2.413 -4.624 7.712 1.00 15.25 H new ATOM 0 HA3 GLY A 75 -3.276 -5.020 6.239 1.00 15.25 H new ATOM 1111 N ALA A 76 -4.180 -2.324 6.129 1.00 35.32 N ATOM 1112 CA ALA A 76 -4.141 -0.956 5.630 1.00 51.54 C ATOM 1113 C ALA A 76 -3.930 0.038 6.767 1.00 5.03 C ATOM 1114 O ALA A 76 -3.042 0.889 6.706 1.00 24.52 O ATOM 1115 CB ALA A 76 -5.423 -0.633 4.876 1.00 42.11 C ATOM 0 H ALA A 76 -5.097 -2.767 6.076 1.00 35.32 H new ATOM 0 HA ALA A 76 -3.297 -0.869 4.945 1.00 51.54 H new ATOM 0 HB1 ALA A 76 -5.381 0.392 4.509 1.00 42.11 H new ATOM 0 HB2 ALA A 76 -5.532 -1.316 4.034 1.00 42.11 H new ATOM 0 HB3 ALA A 76 -6.276 -0.744 5.545 1.00 42.11 H new ATOM 1121 N VAL A 77 -4.751 -0.076 7.806 1.00 74.02 N ATOM 1122 CA VAL A 77 -4.654 0.813 8.958 1.00 5.23 C ATOM 1123 C VAL A 77 -3.277 0.725 9.605 1.00 0.40 C ATOM 1124 O VAL A 77 -2.651 1.744 9.898 1.00 42.20 O ATOM 1125 CB VAL A 77 -5.727 0.483 10.013 1.00 1.50 C ATOM 1126 CG1 VAL A 77 -5.742 1.541 11.107 1.00 35.21 C ATOM 1127 CG2 VAL A 77 -7.095 0.359 9.361 1.00 63.53 C ATOM 0 H VAL A 77 -5.491 -0.775 7.874 1.00 74.02 H new ATOM 0 HA VAL A 77 -4.816 1.826 8.591 1.00 5.23 H new ATOM 0 HB VAL A 77 -5.480 -0.475 10.470 1.00 1.50 H new ATOM 0 HG11 VAL A 77 -6.506 1.292 11.844 1.00 35.21 H new ATOM 0 HG12 VAL A 77 -4.767 1.576 11.593 1.00 35.21 H new ATOM 0 HG13 VAL A 77 -5.964 2.514 10.669 1.00 35.21 H new ATOM 0 HG21 VAL A 77 -7.841 0.126 10.121 1.00 63.53 H new ATOM 0 HG22 VAL A 77 -7.354 1.300 8.876 1.00 63.53 H new ATOM 0 HG23 VAL A 77 -7.073 -0.438 8.618 1.00 63.53 H new ATOM 1137 N GLU A 78 -2.809 -0.500 9.826 1.00 3.11 N ATOM 1138 CA GLU A 78 -1.505 -0.721 10.439 1.00 32.12 C ATOM 1139 C GLU A 78 -0.384 -0.259 9.512 1.00 45.21 C ATOM 1140 O GLU A 78 0.676 0.172 9.970 1.00 61.14 O ATOM 1141 CB GLU A 78 -1.321 -2.201 10.781 1.00 73.22 C ATOM 1142 CG GLU A 78 -0.239 -2.457 11.816 1.00 42.53 C ATOM 1143 CD GLU A 78 -0.568 -3.622 12.729 1.00 44.43 C ATOM 1144 OE1 GLU A 78 -1.647 -3.598 13.357 1.00 51.44 O ATOM 1145 OE2 GLU A 78 0.255 -4.558 12.816 1.00 53.04 O ATOM 0 H GLU A 78 -3.314 -1.354 9.589 1.00 3.11 H new ATOM 0 HA GLU A 78 -1.460 -0.135 11.357 1.00 32.12 H new ATOM 0 HB2 GLU A 78 -2.266 -2.600 11.149 1.00 73.22 H new ATOM 0 HB3 GLU A 78 -1.077 -2.748 9.870 1.00 73.22 H new ATOM 0 HG2 GLU A 78 0.705 -2.654 11.308 1.00 42.53 H new ATOM 0 HG3 GLU A 78 -0.096 -1.559 12.417 1.00 42.53 H new ATOM 1152 N CYS A 79 -0.623 -0.353 8.210 1.00 71.22 N ATOM 1153 CA CYS A 79 0.366 0.052 7.218 1.00 14.20 C ATOM 1154 C CYS A 79 0.662 1.545 7.325 1.00 11.22 C ATOM 1155 O CYS A 79 1.821 1.957 7.389 1.00 22.20 O ATOM 1156 CB CYS A 79 -0.126 -0.282 5.809 1.00 31.05 C ATOM 1157 SG CYS A 79 0.937 0.345 4.487 1.00 15.11 S ATOM 0 H CYS A 79 -1.495 -0.707 7.815 1.00 71.22 H new ATOM 0 HA CYS A 79 1.286 -0.499 7.413 1.00 14.20 H new ATOM 0 HB2 CYS A 79 -0.208 -1.365 5.712 1.00 31.05 H new ATOM 0 HB3 CYS A 79 -1.128 0.127 5.679 1.00 31.05 H new ATOM 0 HG CYS A 79 1.201 -0.615 3.651 1.00 15.11 H new ATOM 1163 N LEU A 80 -0.393 2.352 7.344 1.00 62.14 N ATOM 1164 CA LEU A 80 -0.247 3.800 7.442 1.00 50.54 C ATOM 1165 C LEU A 80 0.192 4.210 8.843 1.00 12.13 C ATOM 1166 O LEU A 80 1.073 5.053 9.009 1.00 65.52 O ATOM 1167 CB LEU A 80 -1.565 4.491 7.085 1.00 14.32 C ATOM 1168 CG LEU A 80 -2.260 3.995 5.817 1.00 15.21 C ATOM 1169 CD1 LEU A 80 -3.705 3.624 6.111 1.00 32.13 C ATOM 1170 CD2 LEU A 80 -2.191 5.051 4.723 1.00 54.33 C ATOM 0 H LEU A 80 -1.359 2.028 7.293 1.00 62.14 H new ATOM 0 HA LEU A 80 0.522 4.111 6.735 1.00 50.54 H new ATOM 0 HB2 LEU A 80 -2.253 4.373 7.922 1.00 14.32 H new ATOM 0 HB3 LEU A 80 -1.375 5.559 6.977 1.00 14.32 H new ATOM 0 HG LEU A 80 -1.741 3.103 5.467 1.00 15.21 H new ATOM 0 HD11 LEU A 80 -4.184 3.273 5.197 1.00 32.13 H new ATOM 0 HD12 LEU A 80 -3.732 2.834 6.861 1.00 32.13 H new ATOM 0 HD13 LEU A 80 -4.236 4.499 6.486 1.00 32.13 H new ATOM 0 HD21 LEU A 80 -2.691 4.681 3.828 1.00 54.33 H new ATOM 0 HD22 LEU A 80 -2.685 5.961 5.064 1.00 54.33 H new ATOM 0 HD23 LEU A 80 -1.148 5.269 4.493 1.00 54.33 H new ATOM 1182 N PHE A 81 -0.428 3.605 9.852 1.00 12.05 N ATOM 1183 CA PHE A 81 -0.101 3.906 11.241 1.00 14.12 C ATOM 1184 C PHE A 81 1.364 3.597 11.534 1.00 73.02 C ATOM 1185 O PHE A 81 2.044 4.357 12.223 1.00 72.34 O ATOM 1186 CB PHE A 81 -1.000 3.105 12.184 1.00 72.13 C ATOM 1187 CG PHE A 81 -2.223 3.857 12.630 1.00 63.13 C ATOM 1188 CD1 PHE A 81 -3.217 4.187 11.724 1.00 24.42 C ATOM 1189 CD2 PHE A 81 -2.377 4.232 13.954 1.00 4.20 C ATOM 1190 CE1 PHE A 81 -4.342 4.880 12.131 1.00 33.00 C ATOM 1191 CE2 PHE A 81 -3.498 4.925 14.368 1.00 33.10 C ATOM 1192 CZ PHE A 81 -4.484 5.247 13.454 1.00 55.50 C ATOM 0 H PHE A 81 -1.159 2.904 9.733 1.00 12.05 H new ATOM 0 HA PHE A 81 -0.270 4.970 11.405 1.00 14.12 H new ATOM 0 HB2 PHE A 81 -1.310 2.187 11.685 1.00 72.13 H new ATOM 0 HB3 PHE A 81 -0.423 2.812 13.061 1.00 72.13 H new ATOM 0 HD1 PHE A 81 -3.112 3.900 10.688 1.00 24.42 H new ATOM 0 HD2 PHE A 81 -1.611 3.979 14.672 1.00 4.20 H new ATOM 0 HE1 PHE A 81 -5.109 5.134 11.414 1.00 33.00 H new ATOM 0 HE2 PHE A 81 -3.604 5.215 15.403 1.00 33.10 H new ATOM 0 HZ PHE A 81 -5.364 5.785 13.775 1.00 55.50 H new ATOM 1202 N GLU A 82 1.843 2.475 11.007 1.00 23.10 N ATOM 1203 CA GLU A 82 3.228 2.064 11.212 1.00 73.11 C ATOM 1204 C GLU A 82 4.190 3.032 10.529 1.00 53.24 C ATOM 1205 O GLU A 82 5.266 3.322 11.048 1.00 44.43 O ATOM 1206 CB GLU A 82 3.448 0.648 10.678 1.00 41.24 C ATOM 1207 CG GLU A 82 2.966 -0.440 11.622 1.00 1.15 C ATOM 1208 CD GLU A 82 3.991 -0.785 12.685 1.00 1.35 C ATOM 1209 OE1 GLU A 82 4.369 0.121 13.459 1.00 30.34 O ATOM 1210 OE2 GLU A 82 4.416 -1.957 12.744 1.00 34.10 O ATOM 0 H GLU A 82 1.293 1.834 10.435 1.00 23.10 H new ATOM 0 HA GLU A 82 3.428 2.075 12.283 1.00 73.11 H new ATOM 0 HB2 GLU A 82 2.932 0.544 9.724 1.00 41.24 H new ATOM 0 HB3 GLU A 82 4.511 0.503 10.483 1.00 41.24 H new ATOM 0 HG2 GLU A 82 2.043 -0.116 12.104 1.00 1.15 H new ATOM 0 HG3 GLU A 82 2.728 -1.335 11.048 1.00 1.15 H new ATOM 1217 N MET A 83 3.791 3.530 9.362 1.00 33.14 N ATOM 1218 CA MET A 83 4.617 4.465 8.609 1.00 64.15 C ATOM 1219 C MET A 83 4.736 5.797 9.342 1.00 52.02 C ATOM 1220 O MET A 83 5.835 6.321 9.523 1.00 22.05 O ATOM 1221 CB MET A 83 4.029 4.689 7.214 1.00 52.10 C ATOM 1222 CG MET A 83 4.676 5.838 6.459 1.00 22.50 C ATOM 1223 SD MET A 83 6.465 5.664 6.328 1.00 21.42 S ATOM 1224 CE MET A 83 6.904 7.226 5.570 1.00 11.20 C ATOM 0 H MET A 83 2.901 3.301 8.919 1.00 33.14 H new ATOM 0 HA MET A 83 5.613 4.033 8.511 1.00 64.15 H new ATOM 0 HB2 MET A 83 4.139 3.774 6.631 1.00 52.10 H new ATOM 0 HB3 MET A 83 2.960 4.882 7.306 1.00 52.10 H new ATOM 0 HG2 MET A 83 4.247 5.898 5.459 1.00 22.50 H new ATOM 0 HG3 MET A 83 4.442 6.776 6.963 1.00 22.50 H new ATOM 0 HE1 MET A 83 7.487 7.041 4.668 1.00 11.20 H new ATOM 0 HE2 MET A 83 5.997 7.772 5.311 1.00 11.20 H new ATOM 0 HE3 MET A 83 7.496 7.816 6.270 1.00 11.20 H new ATOM 1234 N GLY A 84 3.599 6.341 9.762 1.00 12.51 N ATOM 1235 CA GLY A 84 3.599 7.608 10.471 1.00 60.51 C ATOM 1236 C GLY A 84 2.411 8.476 10.106 1.00 71.40 C ATOM 1237 O GLY A 84 2.082 9.423 10.820 1.00 1.55 O ATOM 0 H GLY A 84 2.677 5.927 9.624 1.00 12.51 H new ATOM 0 HA2 GLY A 84 3.592 7.420 11.545 1.00 60.51 H new ATOM 0 HA3 GLY A 84 4.520 8.146 10.248 1.00 60.51 H new ATOM 1241 N PHE A 85 1.765 8.154 8.991 1.00 32.34 N ATOM 1242 CA PHE A 85 0.607 8.912 8.532 1.00 51.45 C ATOM 1243 C PHE A 85 -0.331 9.232 9.692 1.00 62.00 C ATOM 1244 O PHE A 85 -0.346 8.528 10.701 1.00 20.25 O ATOM 1245 CB PHE A 85 -0.146 8.132 7.452 1.00 64.02 C ATOM 1246 CG PHE A 85 0.302 8.454 6.056 1.00 5.32 C ATOM 1247 CD1 PHE A 85 0.022 9.689 5.491 1.00 4.34 C ATOM 1248 CD2 PHE A 85 1.003 7.522 5.306 1.00 41.51 C ATOM 1249 CE1 PHE A 85 0.435 9.989 4.206 1.00 34.43 C ATOM 1250 CE2 PHE A 85 1.419 7.817 4.022 1.00 62.34 C ATOM 1251 CZ PHE A 85 1.132 9.050 3.471 1.00 40.44 C ATOM 0 H PHE A 85 2.024 7.373 8.388 1.00 32.34 H new ATOM 0 HA PHE A 85 0.965 9.851 8.109 1.00 51.45 H new ATOM 0 HB2 PHE A 85 -0.016 7.064 7.629 1.00 64.02 H new ATOM 0 HB3 PHE A 85 -1.212 8.342 7.540 1.00 64.02 H new ATOM 0 HD1 PHE A 85 -0.525 10.425 6.061 1.00 4.34 H new ATOM 0 HD2 PHE A 85 1.226 6.554 5.730 1.00 41.51 H new ATOM 0 HE1 PHE A 85 0.213 10.955 3.778 1.00 34.43 H new ATOM 0 HE2 PHE A 85 1.968 7.084 3.450 1.00 62.34 H new ATOM 0 HZ PHE A 85 1.452 9.280 2.466 1.00 40.44 H new ATOM 1261 N GLU A 86 -1.109 10.299 9.540 1.00 20.41 N ATOM 1262 CA GLU A 86 -2.049 10.711 10.577 1.00 45.25 C ATOM 1263 C GLU A 86 -3.484 10.663 10.060 1.00 44.40 C ATOM 1264 O GLU A 86 -3.790 11.203 8.998 1.00 62.31 O ATOM 1265 CB GLU A 86 -1.717 12.124 11.063 1.00 1.33 C ATOM 1266 CG GLU A 86 -2.605 12.599 12.201 1.00 62.03 C ATOM 1267 CD GLU A 86 -2.305 14.026 12.616 1.00 55.21 C ATOM 1268 OE1 GLU A 86 -1.263 14.563 12.187 1.00 73.22 O ATOM 1269 OE2 GLU A 86 -3.115 14.606 13.370 1.00 45.32 O ATOM 0 H GLU A 86 -1.107 10.893 8.711 1.00 20.41 H new ATOM 0 HA GLU A 86 -1.959 10.016 11.412 1.00 45.25 H new ATOM 0 HB2 GLU A 86 -0.677 12.153 11.388 1.00 1.33 H new ATOM 0 HB3 GLU A 86 -1.809 12.818 10.227 1.00 1.33 H new ATOM 0 HG2 GLU A 86 -3.649 12.524 11.898 1.00 62.03 H new ATOM 0 HG3 GLU A 86 -2.474 11.940 13.059 1.00 62.03 H new ATOM 1276 N GLU A 87 -4.359 10.013 10.821 1.00 11.31 N ATOM 1277 CA GLU A 87 -5.761 9.893 10.441 1.00 65.43 C ATOM 1278 C GLU A 87 -6.523 11.176 10.761 1.00 74.34 C ATOM 1279 O GLU A 87 -6.644 11.566 11.921 1.00 11.14 O ATOM 1280 CB GLU A 87 -6.409 8.709 11.159 1.00 1.23 C ATOM 1281 CG GLU A 87 -7.190 7.790 10.236 1.00 60.10 C ATOM 1282 CD GLU A 87 -7.998 6.752 10.991 1.00 62.05 C ATOM 1283 OE1 GLU A 87 -7.865 6.684 12.230 1.00 74.33 O ATOM 1284 OE2 GLU A 87 -8.763 6.009 10.341 1.00 31.14 O ATOM 0 H GLU A 87 -4.121 9.562 11.704 1.00 11.31 H new ATOM 0 HA GLU A 87 -5.805 9.723 9.365 1.00 65.43 H new ATOM 0 HB2 GLU A 87 -5.633 8.131 11.662 1.00 1.23 H new ATOM 0 HB3 GLU A 87 -7.078 9.086 11.933 1.00 1.23 H new ATOM 0 HG2 GLU A 87 -7.860 8.387 9.618 1.00 60.10 H new ATOM 0 HG3 GLU A 87 -6.498 7.286 9.561 1.00 60.10 H new ATOM 1291 N GLY A 88 -7.037 11.827 9.723 1.00 51.24 N ATOM 1292 CA GLY A 88 -7.781 13.060 9.914 1.00 64.21 C ATOM 1293 C GLY A 88 -9.280 12.839 9.912 1.00 33.40 C ATOM 1294 O GLY A 88 -9.746 11.710 10.068 1.00 51.12 O ATOM 0 H GLY A 88 -6.952 11.524 8.753 1.00 51.24 H new ATOM 0 HA2 GLY A 88 -7.485 13.516 10.859 1.00 64.21 H new ATOM 0 HA3 GLY A 88 -7.520 13.764 9.124 1.00 64.21 H new ATOM 1298 N GLU A 89 -10.036 13.918 9.736 1.00 14.42 N ATOM 1299 CA GLU A 89 -11.492 13.835 9.718 1.00 21.31 C ATOM 1300 C GLU A 89 -12.004 13.585 8.303 1.00 54.33 C ATOM 1301 O GLU A 89 -12.855 12.724 8.080 1.00 71.45 O ATOM 1302 CB GLU A 89 -12.105 15.121 10.276 1.00 11.21 C ATOM 1303 CG GLU A 89 -12.541 15.008 11.727 1.00 0.15 C ATOM 1304 CD GLU A 89 -13.275 16.242 12.214 1.00 3.30 C ATOM 1305 OE1 GLU A 89 -12.928 17.354 11.763 1.00 71.42 O ATOM 1306 OE2 GLU A 89 -14.195 16.097 13.046 1.00 10.43 O ATOM 0 H GLU A 89 -9.665 14.859 9.604 1.00 14.42 H new ATOM 0 HA GLU A 89 -11.791 12.997 10.347 1.00 21.31 H new ATOM 0 HB2 GLU A 89 -11.379 15.929 10.186 1.00 11.21 H new ATOM 0 HB3 GLU A 89 -12.966 15.397 9.667 1.00 11.21 H new ATOM 0 HG2 GLU A 89 -13.186 14.137 11.842 1.00 0.15 H new ATOM 0 HG3 GLU A 89 -11.665 14.840 12.354 1.00 0.15 H new ATOM 1313 N THR A 90 -11.481 14.348 7.348 1.00 70.35 N ATOM 1314 CA THR A 90 -11.886 14.213 5.954 1.00 24.42 C ATOM 1315 C THR A 90 -10.705 13.814 5.075 1.00 33.14 C ATOM 1316 O THR A 90 -10.885 13.235 4.003 1.00 0.14 O ATOM 1317 CB THR A 90 -12.493 15.522 5.417 1.00 45.15 C ATOM 1318 OG1 THR A 90 -11.780 16.647 5.943 1.00 1.21 O ATOM 1319 CG2 THR A 90 -13.963 15.629 5.788 1.00 75.22 C ATOM 0 H THR A 90 -10.776 15.066 7.515 1.00 70.35 H new ATOM 0 HA THR A 90 -12.643 13.429 5.918 1.00 24.42 H new ATOM 0 HB THR A 90 -12.408 15.515 4.330 1.00 45.15 H new ATOM 0 HG1 THR A 90 -10.847 16.611 5.646 1.00 1.21 H new ATOM 0 HG21 THR A 90 -14.370 16.562 5.398 1.00 75.22 H new ATOM 0 HG22 THR A 90 -14.508 14.788 5.360 1.00 75.22 H new ATOM 0 HG23 THR A 90 -14.066 15.614 6.873 1.00 75.22 H new ATOM 1327 N HIS A 91 -9.499 14.127 5.534 1.00 11.23 N ATOM 1328 CA HIS A 91 -8.289 13.801 4.790 1.00 3.33 C ATOM 1329 C HIS A 91 -7.138 13.474 5.738 1.00 0.10 C ATOM 1330 O HIS A 91 -7.172 13.830 6.917 1.00 41.11 O ATOM 1331 CB HIS A 91 -7.897 14.961 3.875 1.00 51.45 C ATOM 1332 CG HIS A 91 -9.070 15.711 3.322 1.00 14.22 C ATOM 1333 ND1 HIS A 91 -9.745 16.682 4.032 1.00 15.42 N ATOM 1334 CD2 HIS A 91 -9.687 15.628 2.122 1.00 73.43 C ATOM 1335 CE1 HIS A 91 -10.728 17.162 3.291 1.00 12.45 C ATOM 1336 NE2 HIS A 91 -10.713 16.540 2.127 1.00 54.00 N ATOM 0 H HIS A 91 -9.333 14.607 6.419 1.00 11.23 H new ATOM 0 HA HIS A 91 -8.495 12.922 4.180 1.00 3.33 H new ATOM 0 HB2 HIS A 91 -7.263 15.652 4.430 1.00 51.45 H new ATOM 0 HB3 HIS A 91 -7.300 14.575 3.048 1.00 51.45 H new ATOM 0 HD2 HIS A 91 -9.422 14.967 1.310 1.00 73.43 H new ATOM 0 HE1 HIS A 91 -11.425 17.932 3.587 1.00 12.45 H new ATOM 0 HE2 HIS A 91 -11.359 16.709 1.356 1.00 54.00 H new ATOM 1344 N LEU A 92 -6.122 12.795 5.217 1.00 70.14 N ATOM 1345 CA LEU A 92 -4.961 12.420 6.017 1.00 71.14 C ATOM 1346 C LEU A 92 -3.791 13.364 5.755 1.00 74.24 C ATOM 1347 O LEU A 92 -3.600 13.834 4.633 1.00 14.11 O ATOM 1348 CB LEU A 92 -4.548 10.980 5.708 1.00 74.31 C ATOM 1349 CG LEU A 92 -5.071 9.911 6.669 1.00 53.21 C ATOM 1350 CD1 LEU A 92 -6.258 9.181 6.063 1.00 33.30 C ATOM 1351 CD2 LEU A 92 -3.965 8.930 7.027 1.00 4.52 C ATOM 0 H LEU A 92 -6.079 12.493 4.244 1.00 70.14 H new ATOM 0 HA LEU A 92 -5.236 12.495 7.069 1.00 71.14 H new ATOM 0 HB2 LEU A 92 -4.888 10.734 4.702 1.00 74.31 H new ATOM 0 HB3 LEU A 92 -3.459 10.930 5.698 1.00 74.31 H new ATOM 0 HG LEU A 92 -5.403 10.403 7.583 1.00 53.21 H new ATOM 0 HD11 LEU A 92 -6.615 8.425 6.762 1.00 33.30 H new ATOM 0 HD12 LEU A 92 -7.057 9.893 5.859 1.00 33.30 H new ATOM 0 HD13 LEU A 92 -5.954 8.701 5.133 1.00 33.30 H new ATOM 0 HD21 LEU A 92 -4.355 8.176 7.711 1.00 4.52 H new ATOM 0 HD22 LEU A 92 -3.602 8.445 6.121 1.00 4.52 H new ATOM 0 HD23 LEU A 92 -3.145 9.465 7.505 1.00 4.52 H new ATOM 1363 N ILE A 93 -3.013 13.633 6.797 1.00 44.22 N ATOM 1364 CA ILE A 93 -1.858 14.517 6.678 1.00 70.20 C ATOM 1365 C ILE A 93 -0.555 13.727 6.702 1.00 55.43 C ATOM 1366 O ILE A 93 -0.416 12.762 7.453 1.00 51.03 O ATOM 1367 CB ILE A 93 -1.833 15.564 7.807 1.00 11.21 C ATOM 1368 CG1 ILE A 93 -2.826 16.689 7.513 1.00 33.21 C ATOM 1369 CG2 ILE A 93 -0.428 16.122 7.981 1.00 73.23 C ATOM 1370 CD1 ILE A 93 -4.269 16.233 7.494 1.00 31.31 C ATOM 0 H ILE A 93 -3.160 13.253 7.732 1.00 44.22 H new ATOM 0 HA ILE A 93 -1.950 15.029 5.720 1.00 70.20 H new ATOM 0 HB ILE A 93 -2.129 15.079 8.737 1.00 11.21 H new ATOM 0 HG12 ILE A 93 -2.710 17.470 8.264 1.00 33.21 H new ATOM 0 HG13 ILE A 93 -2.582 17.135 6.549 1.00 33.21 H new ATOM 0 HG21 ILE A 93 -0.427 16.861 8.783 1.00 73.23 H new ATOM 0 HG22 ILE A 93 0.257 15.312 8.233 1.00 73.23 H new ATOM 0 HG23 ILE A 93 -0.106 16.594 7.052 1.00 73.23 H new ATOM 0 HD11 ILE A 93 -4.916 17.083 7.280 1.00 31.31 H new ATOM 0 HD12 ILE A 93 -4.400 15.473 6.723 1.00 31.31 H new ATOM 0 HD13 ILE A 93 -4.531 15.814 8.465 1.00 31.31 H new ATOM 1382 N PHE A 94 0.399 14.144 5.877 1.00 40.00 N ATOM 1383 CA PHE A 94 1.693 13.476 5.803 1.00 34.33 C ATOM 1384 C PHE A 94 2.687 14.107 6.774 1.00 75.11 C ATOM 1385 O PHE A 94 3.000 15.295 6.697 1.00 33.01 O ATOM 1386 CB PHE A 94 2.245 13.541 4.378 1.00 71.32 C ATOM 1387 CG PHE A 94 3.371 12.580 4.126 1.00 32.51 C ATOM 1388 CD1 PHE A 94 4.614 12.782 4.703 1.00 11.24 C ATOM 1389 CD2 PHE A 94 3.185 11.474 3.312 1.00 62.01 C ATOM 1390 CE1 PHE A 94 5.652 11.898 4.475 1.00 43.53 C ATOM 1391 CE2 PHE A 94 4.220 10.586 3.080 1.00 45.23 C ATOM 1392 CZ PHE A 94 5.455 10.800 3.660 1.00 1.33 C ATOM 0 H PHE A 94 0.300 14.942 5.250 1.00 40.00 H new ATOM 0 HA PHE A 94 1.551 12.432 6.082 1.00 34.33 H new ATOM 0 HB2 PHE A 94 1.438 13.335 3.675 1.00 71.32 H new ATOM 0 HB3 PHE A 94 2.592 14.555 4.177 1.00 71.32 H new ATOM 0 HD1 PHE A 94 4.774 13.640 5.339 1.00 11.24 H new ATOM 0 HD2 PHE A 94 2.222 11.304 2.854 1.00 62.01 H new ATOM 0 HE1 PHE A 94 6.616 12.065 4.933 1.00 43.53 H new ATOM 0 HE2 PHE A 94 4.062 9.726 2.446 1.00 45.23 H new ATOM 0 HZ PHE A 94 6.265 10.110 3.477 1.00 1.33 H new ATOM 1402 N PRO A 95 3.195 13.294 7.711 1.00 22.45 N ATOM 1403 CA PRO A 95 4.160 13.749 8.716 1.00 35.15 C ATOM 1404 C PRO A 95 5.524 14.063 8.109 1.00 53.33 C ATOM 1405 O PRO A 95 6.055 13.288 7.315 1.00 73.53 O ATOM 1406 CB PRO A 95 4.263 12.560 9.674 1.00 12.23 C ATOM 1407 CG PRO A 95 3.888 11.376 8.851 1.00 0.31 C ATOM 1408 CD PRO A 95 2.867 11.865 7.862 1.00 53.34 C ATOM 0 HA PRO A 95 3.842 14.674 9.196 1.00 35.15 H new ATOM 0 HB2 PRO A 95 5.272 12.460 10.074 1.00 12.23 H new ATOM 0 HB3 PRO A 95 3.593 12.679 10.525 1.00 12.23 H new ATOM 0 HG2 PRO A 95 4.759 10.964 8.341 1.00 0.31 H new ATOM 0 HG3 PRO A 95 3.478 10.582 9.475 1.00 0.31 H new ATOM 0 HD2 PRO A 95 2.940 11.334 6.913 1.00 53.34 H new ATOM 0 HD3 PRO A 95 1.851 11.723 8.230 1.00 53.34 H new ATOM 1416 N LYS A 96 6.086 15.206 8.489 1.00 23.22 N ATOM 1417 CA LYS A 96 7.388 15.622 7.984 1.00 45.31 C ATOM 1418 C LYS A 96 8.490 14.695 8.489 1.00 60.21 C ATOM 1419 O LYS A 96 9.614 14.721 7.989 1.00 30.44 O ATOM 1420 CB LYS A 96 7.686 17.062 8.409 1.00 50.23 C ATOM 1421 CG LYS A 96 6.798 18.092 7.731 1.00 73.13 C ATOM 1422 CD LYS A 96 6.473 19.248 8.664 1.00 2.11 C ATOM 1423 CE LYS A 96 6.079 20.495 7.888 1.00 73.13 C ATOM 1424 NZ LYS A 96 6.378 21.739 8.649 1.00 63.33 N ATOM 0 H LYS A 96 5.659 15.860 9.145 1.00 23.22 H new ATOM 0 HA LYS A 96 7.361 15.568 6.896 1.00 45.31 H new ATOM 0 HB2 LYS A 96 7.566 17.146 9.489 1.00 50.23 H new ATOM 0 HB3 LYS A 96 8.728 17.290 8.186 1.00 50.23 H new ATOM 0 HG2 LYS A 96 7.296 18.472 6.839 1.00 73.13 H new ATOM 0 HG3 LYS A 96 5.873 17.617 7.403 1.00 73.13 H new ATOM 0 HD2 LYS A 96 5.660 18.961 9.331 1.00 2.11 H new ATOM 0 HD3 LYS A 96 7.338 19.466 9.290 1.00 2.11 H new ATOM 0 HE2 LYS A 96 6.611 20.514 6.937 1.00 73.13 H new ATOM 0 HE3 LYS A 96 5.014 20.458 7.657 1.00 73.13 H new ATOM 0 HZ1 LYS A 96 6.095 22.567 8.086 1.00 63.33 H new ATOM 0 HZ2 LYS A 96 5.851 21.733 9.545 1.00 63.33 H new ATOM 0 HZ3 LYS A 96 7.398 21.788 8.848 1.00 63.33 H new ATOM 1438 N LYS A 97 8.159 13.876 9.482 1.00 70.03 N ATOM 1439 CA LYS A 97 9.117 12.938 10.052 1.00 4.33 C ATOM 1440 C LYS A 97 9.177 11.653 9.232 1.00 41.32 C ATOM 1441 O LYS A 97 10.140 10.893 9.323 1.00 23.51 O ATOM 1442 CB LYS A 97 8.744 12.614 11.501 1.00 5.31 C ATOM 1443 CG LYS A 97 8.845 13.807 12.436 1.00 30.00 C ATOM 1444 CD LYS A 97 10.287 14.237 12.640 1.00 50.32 C ATOM 1445 CE LYS A 97 10.656 15.401 11.731 1.00 64.00 C ATOM 1446 NZ LYS A 97 11.304 16.509 12.486 1.00 70.34 N ATOM 0 H LYS A 97 7.233 13.844 9.909 1.00 70.03 H new ATOM 0 HA LYS A 97 10.101 13.406 10.032 1.00 4.33 H new ATOM 0 HB2 LYS A 97 7.725 12.227 11.527 1.00 5.31 H new ATOM 0 HB3 LYS A 97 9.396 11.820 11.866 1.00 5.31 H new ATOM 0 HG2 LYS A 97 8.271 14.639 12.028 1.00 30.00 H new ATOM 0 HG3 LYS A 97 8.400 13.554 13.399 1.00 30.00 H new ATOM 0 HD2 LYS A 97 10.438 14.524 13.680 1.00 50.32 H new ATOM 0 HD3 LYS A 97 10.950 13.395 12.442 1.00 50.32 H new ATOM 0 HE2 LYS A 97 11.330 15.052 10.949 1.00 64.00 H new ATOM 0 HE3 LYS A 97 9.759 15.774 11.236 1.00 64.00 H new ATOM 0 HZ1 LYS A 97 11.540 17.283 11.832 1.00 70.34 H new ATOM 0 HZ2 LYS A 97 10.652 16.860 13.216 1.00 70.34 H new ATOM 0 HZ3 LYS A 97 12.173 16.160 12.937 1.00 70.34 H new ATOM 1460 N ALA A 98 8.143 11.420 8.432 1.00 73.34 N ATOM 1461 CA ALA A 98 8.079 10.229 7.593 1.00 13.20 C ATOM 1462 C ALA A 98 9.204 10.223 6.562 1.00 14.14 C ATOM 1463 O ALA A 98 9.590 11.270 6.045 1.00 44.20 O ATOM 1464 CB ALA A 98 6.727 10.144 6.900 1.00 24.11 C ATOM 0 H ALA A 98 7.338 12.040 8.347 1.00 73.34 H new ATOM 0 HA ALA A 98 8.203 9.356 8.234 1.00 13.20 H new ATOM 0 HB1 ALA A 98 6.693 9.250 6.277 1.00 24.11 H new ATOM 0 HB2 ALA A 98 5.937 10.094 7.649 1.00 24.11 H new ATOM 0 HB3 ALA A 98 6.581 11.026 6.277 1.00 24.11 H new ATOM 1470 N SER A 99 9.727 9.036 6.272 1.00 32.41 N ATOM 1471 CA SER A 99 10.811 8.894 5.308 1.00 24.25 C ATOM 1472 C SER A 99 10.272 8.488 3.939 1.00 72.54 C ATOM 1473 O SER A 99 9.808 7.363 3.750 1.00 33.23 O ATOM 1474 CB SER A 99 11.824 7.856 5.797 1.00 20.12 C ATOM 1475 OG SER A 99 11.311 7.119 6.893 1.00 53.53 O ATOM 0 H SER A 99 9.417 8.159 6.691 1.00 32.41 H new ATOM 0 HA SER A 99 11.307 9.860 5.212 1.00 24.25 H new ATOM 0 HB2 SER A 99 12.074 7.176 4.983 1.00 20.12 H new ATOM 0 HB3 SER A 99 12.748 8.355 6.091 1.00 20.12 H new ATOM 0 HG SER A 99 11.976 6.462 7.185 1.00 53.53 H new ATOM 1481 N VAL A 100 10.335 9.413 2.987 1.00 23.32 N ATOM 1482 CA VAL A 100 9.856 9.154 1.636 1.00 24.13 C ATOM 1483 C VAL A 100 10.693 8.078 0.951 1.00 32.01 C ATOM 1484 O VAL A 100 10.246 7.444 -0.003 1.00 71.54 O ATOM 1485 CB VAL A 100 9.880 10.430 0.776 1.00 11.20 C ATOM 1486 CG1 VAL A 100 8.909 11.463 1.326 1.00 13.21 C ATOM 1487 CG2 VAL A 100 11.291 10.997 0.705 1.00 33.21 C ATOM 0 H VAL A 100 10.714 10.350 3.127 1.00 23.32 H new ATOM 0 HA VAL A 100 8.827 8.806 1.729 1.00 24.13 H new ATOM 0 HB VAL A 100 9.564 10.172 -0.235 1.00 11.20 H new ATOM 0 HG11 VAL A 100 8.940 12.358 0.705 1.00 13.21 H new ATOM 0 HG12 VAL A 100 7.899 11.052 1.321 1.00 13.21 H new ATOM 0 HG13 VAL A 100 9.191 11.720 2.347 1.00 13.21 H new ATOM 0 HG21 VAL A 100 11.290 11.899 0.093 1.00 33.21 H new ATOM 0 HG22 VAL A 100 11.636 11.240 1.710 1.00 33.21 H new ATOM 0 HG23 VAL A 100 11.958 10.258 0.261 1.00 33.21 H new ATOM 1497 N GLU A 101 11.910 7.877 1.449 1.00 74.54 N ATOM 1498 CA GLU A 101 12.808 6.878 0.885 1.00 41.21 C ATOM 1499 C GLU A 101 12.304 5.467 1.175 1.00 25.30 C ATOM 1500 O GLU A 101 12.333 4.595 0.306 1.00 51.11 O ATOM 1501 CB GLU A 101 14.220 7.053 1.450 1.00 25.11 C ATOM 1502 CG GLU A 101 14.916 8.314 0.968 1.00 74.23 C ATOM 1503 CD GLU A 101 15.065 8.358 -0.542 1.00 14.35 C ATOM 1504 OE1 GLU A 101 15.887 7.586 -1.077 1.00 62.21 O ATOM 1505 OE2 GLU A 101 14.361 9.163 -1.185 1.00 33.13 O ATOM 0 H GLU A 101 12.295 8.392 2.241 1.00 74.54 H new ATOM 0 HA GLU A 101 12.836 7.020 -0.195 1.00 41.21 H new ATOM 0 HB2 GLU A 101 14.167 7.071 2.539 1.00 25.11 H new ATOM 0 HB3 GLU A 101 14.822 6.188 1.174 1.00 25.11 H new ATOM 0 HG2 GLU A 101 14.351 9.185 1.299 1.00 74.23 H new ATOM 0 HG3 GLU A 101 15.902 8.379 1.429 1.00 74.23 H new ATOM 1512 N GLN A 102 11.844 5.250 2.402 1.00 54.41 N ATOM 1513 CA GLN A 102 11.335 3.945 2.807 1.00 34.41 C ATOM 1514 C GLN A 102 9.936 3.709 2.246 1.00 13.12 C ATOM 1515 O GLN A 102 9.567 2.576 1.927 1.00 15.52 O ATOM 1516 CB GLN A 102 11.309 3.834 4.333 1.00 4.10 C ATOM 1517 CG GLN A 102 9.973 4.214 4.949 1.00 43.12 C ATOM 1518 CD GLN A 102 8.983 3.065 4.949 1.00 10.10 C ATOM 1519 OE1 GLN A 102 7.767 3.331 4.485 1.00 72.15 O flip ATOM 1520 NE2 GLN A 102 9.307 1.951 5.362 1.00 40.20 N flip ATOM 0 H GLN A 102 11.813 5.961 3.133 1.00 54.41 H new ATOM 0 HA GLN A 102 12.003 3.183 2.405 1.00 34.41 H new ATOM 0 HB2 GLN A 102 11.553 2.811 4.618 1.00 4.10 H new ATOM 0 HB3 GLN A 102 12.086 4.475 4.749 1.00 4.10 H new ATOM 0 HG2 GLN A 102 10.132 4.552 5.973 1.00 43.12 H new ATOM 0 HG3 GLN A 102 9.549 5.054 4.399 1.00 43.12 H new ATOM 0 HE21 GLN A 102 10.252 1.791 5.710 1.00 40.20 H new ATOM 0 HE22 GLN A 102 8.630 1.188 5.356 1.00 40.20 H new ATOM 1529 N LEU A 103 9.162 4.781 2.128 1.00 53.50 N ATOM 1530 CA LEU A 103 7.803 4.690 1.605 1.00 55.50 C ATOM 1531 C LEU A 103 7.807 4.212 0.158 1.00 24.31 C ATOM 1532 O LEU A 103 6.971 3.401 -0.240 1.00 32.10 O ATOM 1533 CB LEU A 103 7.105 6.049 1.704 1.00 44.12 C ATOM 1534 CG LEU A 103 5.857 6.100 2.585 1.00 11.33 C ATOM 1535 CD1 LEU A 103 5.394 7.537 2.773 1.00 45.02 C ATOM 1536 CD2 LEU A 103 4.745 5.254 1.983 1.00 53.50 C ATOM 0 H LEU A 103 9.452 5.724 2.387 1.00 53.50 H new ATOM 0 HA LEU A 103 7.257 3.963 2.206 1.00 55.50 H new ATOM 0 HB2 LEU A 103 7.823 6.777 2.083 1.00 44.12 H new ATOM 0 HB3 LEU A 103 6.829 6.367 0.699 1.00 44.12 H new ATOM 0 HG LEU A 103 6.109 5.691 3.563 1.00 11.33 H new ATOM 0 HD11 LEU A 103 4.505 7.553 3.403 1.00 45.02 H new ATOM 0 HD12 LEU A 103 6.186 8.115 3.249 1.00 45.02 H new ATOM 0 HD13 LEU A 103 5.159 7.974 1.802 1.00 45.02 H new ATOM 0 HD21 LEU A 103 3.864 5.302 2.623 1.00 53.50 H new ATOM 0 HD22 LEU A 103 4.495 5.634 0.992 1.00 53.50 H new ATOM 0 HD23 LEU A 103 5.078 4.219 1.901 1.00 53.50 H new ATOM 1548 N GLN A 104 8.754 4.719 -0.624 1.00 71.44 N ATOM 1549 CA GLN A 104 8.868 4.341 -2.029 1.00 55.24 C ATOM 1550 C GLN A 104 9.304 2.886 -2.168 1.00 72.13 C ATOM 1551 O GLN A 104 8.867 2.181 -3.077 1.00 4.43 O ATOM 1552 CB GLN A 104 9.863 5.255 -2.746 1.00 24.24 C ATOM 1553 CG GLN A 104 10.007 4.953 -4.229 1.00 12.53 C ATOM 1554 CD GLN A 104 10.878 5.965 -4.948 1.00 13.23 C ATOM 1555 OE1 GLN A 104 12.048 6.146 -4.610 1.00 22.23 O ATOM 1556 NE2 GLN A 104 10.310 6.632 -5.946 1.00 33.11 N ATOM 0 H GLN A 104 9.453 5.392 -0.310 1.00 71.44 H new ATOM 0 HA GLN A 104 7.886 4.452 -2.490 1.00 55.24 H new ATOM 0 HB2 GLN A 104 9.546 6.291 -2.624 1.00 24.24 H new ATOM 0 HB3 GLN A 104 10.838 5.162 -2.268 1.00 24.24 H new ATOM 0 HG2 GLN A 104 10.434 3.958 -4.354 1.00 12.53 H new ATOM 0 HG3 GLN A 104 9.020 4.936 -4.690 1.00 12.53 H new ATOM 0 HE21 GLN A 104 9.337 6.450 -6.192 1.00 33.11 H new ATOM 0 HE22 GLN A 104 10.847 7.326 -6.466 1.00 33.11 H new ATOM 1565 N LYS A 105 10.167 2.443 -1.261 1.00 14.12 N ATOM 1566 CA LYS A 105 10.662 1.073 -1.279 1.00 22.43 C ATOM 1567 C LYS A 105 9.524 0.079 -1.064 1.00 51.05 C ATOM 1568 O LYS A 105 9.396 -0.900 -1.800 1.00 75.34 O ATOM 1569 CB LYS A 105 11.731 0.878 -0.202 1.00 31.11 C ATOM 1570 CG LYS A 105 12.637 -0.317 -0.450 1.00 74.13 C ATOM 1571 CD LYS A 105 13.239 -0.837 0.843 1.00 12.15 C ATOM 1572 CE LYS A 105 14.653 -0.315 1.049 1.00 64.42 C ATOM 1573 NZ LYS A 105 15.192 -0.685 2.387 1.00 22.44 N ATOM 0 H LYS A 105 10.539 3.015 -0.503 1.00 14.12 H new ATOM 0 HA LYS A 105 11.104 0.888 -2.258 1.00 22.43 H new ATOM 0 HB2 LYS A 105 12.341 1.779 -0.141 1.00 31.11 H new ATOM 0 HB3 LYS A 105 11.242 0.758 0.765 1.00 31.11 H new ATOM 0 HG2 LYS A 105 12.069 -1.112 -0.933 1.00 74.13 H new ATOM 0 HG3 LYS A 105 13.435 -0.034 -1.136 1.00 74.13 H new ATOM 0 HD2 LYS A 105 12.613 -0.537 1.683 1.00 12.15 H new ATOM 0 HD3 LYS A 105 13.251 -1.927 0.828 1.00 12.15 H new ATOM 0 HE2 LYS A 105 15.304 -0.715 0.272 1.00 64.42 H new ATOM 0 HE3 LYS A 105 14.659 0.770 0.943 1.00 64.42 H new ATOM 0 HZ1 LYS A 105 16.157 -0.311 2.488 1.00 22.44 H new ATOM 0 HZ2 LYS A 105 14.585 -0.282 3.129 1.00 22.44 H new ATOM 0 HZ3 LYS A 105 15.211 -1.721 2.479 1.00 22.44 H new ATOM 1587 N ILE A 106 8.700 0.339 -0.056 1.00 11.15 N ATOM 1588 CA ILE A 106 7.571 -0.529 0.254 1.00 65.30 C ATOM 1589 C ILE A 106 6.501 -0.445 -0.828 1.00 14.02 C ATOM 1590 O ILE A 106 5.885 -1.449 -1.188 1.00 5.13 O ATOM 1591 CB ILE A 106 6.941 -0.173 1.614 1.00 23.23 C ATOM 1592 CG1 ILE A 106 5.737 -1.074 1.894 1.00 71.12 C ATOM 1593 CG2 ILE A 106 6.533 1.291 1.640 1.00 62.41 C ATOM 1594 CD1 ILE A 106 5.049 -0.771 3.205 1.00 54.14 C ATOM 0 H ILE A 106 8.793 1.145 0.562 1.00 11.15 H new ATOM 0 HA ILE A 106 7.959 -1.546 0.300 1.00 65.30 H new ATOM 0 HB ILE A 106 7.682 -0.337 2.396 1.00 23.23 H new ATOM 0 HG12 ILE A 106 5.017 -0.968 1.082 1.00 71.12 H new ATOM 0 HG13 ILE A 106 6.064 -2.114 1.896 1.00 71.12 H new ATOM 0 HG21 ILE A 106 6.089 1.528 2.607 1.00 62.41 H new ATOM 0 HG22 ILE A 106 7.411 1.916 1.481 1.00 62.41 H new ATOM 0 HG23 ILE A 106 5.805 1.480 0.851 1.00 62.41 H new ATOM 0 HD11 ILE A 106 4.205 -1.448 3.338 1.00 54.14 H new ATOM 0 HD12 ILE A 106 5.754 -0.905 4.025 1.00 54.14 H new ATOM 0 HD13 ILE A 106 4.691 0.259 3.199 1.00 54.14 H new ATOM 1606 N ARG A 107 6.282 0.760 -1.345 1.00 5.43 N ATOM 1607 CA ARG A 107 5.286 0.976 -2.387 1.00 64.21 C ATOM 1608 C ARG A 107 5.727 0.338 -3.701 1.00 32.13 C ATOM 1609 O ARG A 107 4.897 -0.022 -4.536 1.00 35.45 O ATOM 1610 CB ARG A 107 5.047 2.474 -2.590 1.00 20.12 C ATOM 1611 CG ARG A 107 5.752 3.043 -3.811 1.00 24.33 C ATOM 1612 CD ARG A 107 5.673 4.561 -3.841 1.00 54.35 C ATOM 1613 NE ARG A 107 4.712 5.040 -4.832 1.00 31.51 N ATOM 1614 CZ ARG A 107 4.930 5.009 -6.141 1.00 31.31 C ATOM 1615 NH1 ARG A 107 6.069 4.525 -6.616 1.00 60.42 N ATOM 1616 NH2 ARG A 107 4.007 5.462 -6.979 1.00 54.14 N ATOM 0 H ARG A 107 6.782 1.602 -1.059 1.00 5.43 H new ATOM 0 HA ARG A 107 4.355 0.506 -2.069 1.00 64.21 H new ATOM 0 HB2 ARG A 107 3.976 2.653 -2.683 1.00 20.12 H new ATOM 0 HB3 ARG A 107 5.384 3.011 -1.703 1.00 20.12 H new ATOM 0 HG2 ARG A 107 6.797 2.732 -3.808 1.00 24.33 H new ATOM 0 HG3 ARG A 107 5.301 2.636 -4.716 1.00 24.33 H new ATOM 0 HD2 ARG A 107 5.390 4.929 -2.855 1.00 54.35 H new ATOM 0 HD3 ARG A 107 6.658 4.971 -4.064 1.00 54.35 H new ATOM 0 HE ARG A 107 3.825 5.419 -4.500 1.00 31.51 H new ATOM 0 HH11 ARG A 107 6.781 4.175 -5.975 1.00 60.42 H new ATOM 0 HH12 ARG A 107 6.233 4.503 -7.622 1.00 60.42 H new ATOM 0 HH21 ARG A 107 3.129 5.835 -6.618 1.00 54.14 H new ATOM 0 HH22 ARG A 107 4.175 5.438 -7.985 1.00 54.14 H new ATOM 1630 N ASP A 108 7.036 0.202 -3.878 1.00 12.41 N ATOM 1631 CA ASP A 108 7.586 -0.393 -5.089 1.00 23.24 C ATOM 1632 C ASP A 108 7.034 -1.800 -5.303 1.00 23.01 C ATOM 1633 O ASP A 108 6.787 -2.215 -6.436 1.00 13.30 O ATOM 1634 CB ASP A 108 9.113 -0.439 -5.014 1.00 12.44 C ATOM 1635 CG ASP A 108 9.764 -0.345 -6.379 1.00 3.22 C ATOM 1636 OD1 ASP A 108 9.311 -1.054 -7.302 1.00 73.14 O ATOM 1637 OD2 ASP A 108 10.729 0.435 -6.525 1.00 21.21 O ATOM 0 H ASP A 108 7.736 0.496 -3.197 1.00 12.41 H new ATOM 0 HA ASP A 108 7.290 0.228 -5.934 1.00 23.24 H new ATOM 0 HB2 ASP A 108 9.468 0.380 -4.389 1.00 12.44 H new ATOM 0 HB3 ASP A 108 9.422 -1.366 -4.531 1.00 12.44 H new ATOM 1642 N LEU A 109 6.843 -2.528 -4.208 1.00 52.45 N ATOM 1643 CA LEU A 109 6.320 -3.888 -4.276 1.00 70.32 C ATOM 1644 C LEU A 109 4.840 -3.885 -4.644 1.00 35.11 C ATOM 1645 O LEU A 109 4.359 -4.784 -5.336 1.00 0.31 O ATOM 1646 CB LEU A 109 6.524 -4.600 -2.937 1.00 73.52 C ATOM 1647 CG LEU A 109 7.867 -5.307 -2.751 1.00 52.23 C ATOM 1648 CD1 LEU A 109 8.707 -4.587 -1.707 1.00 12.31 C ATOM 1649 CD2 LEU A 109 7.655 -6.760 -2.357 1.00 23.40 C ATOM 0 H LEU A 109 7.042 -2.199 -3.263 1.00 52.45 H new ATOM 0 HA LEU A 109 6.866 -4.423 -5.053 1.00 70.32 H new ATOM 0 HB2 LEU A 109 6.407 -3.868 -2.138 1.00 73.52 H new ATOM 0 HB3 LEU A 109 5.729 -5.335 -2.814 1.00 73.52 H new ATOM 0 HG LEU A 109 8.403 -5.284 -3.700 1.00 52.23 H new ATOM 0 HD11 LEU A 109 9.659 -5.103 -1.587 1.00 12.31 H new ATOM 0 HD12 LEU A 109 8.888 -3.562 -2.030 1.00 12.31 H new ATOM 0 HD13 LEU A 109 8.176 -4.579 -0.755 1.00 12.31 H new ATOM 0 HD21 LEU A 109 8.622 -7.247 -2.229 1.00 23.40 H new ATOM 0 HD22 LEU A 109 7.099 -6.806 -1.421 1.00 23.40 H new ATOM 0 HD23 LEU A 109 7.092 -7.270 -3.138 1.00 23.40 H new ATOM 1661 N ILE A 110 4.122 -2.869 -4.178 1.00 43.24 N ATOM 1662 CA ILE A 110 2.697 -2.747 -4.461 1.00 62.31 C ATOM 1663 C ILE A 110 2.455 -2.399 -5.926 1.00 22.44 C ATOM 1664 O ILE A 110 1.606 -3.000 -6.584 1.00 64.15 O ATOM 1665 CB ILE A 110 2.036 -1.673 -3.576 1.00 41.43 C ATOM 1666 CG1 ILE A 110 2.615 -1.724 -2.160 1.00 70.12 C ATOM 1667 CG2 ILE A 110 0.528 -1.867 -3.545 1.00 12.33 C ATOM 1668 CD1 ILE A 110 2.665 -3.117 -1.576 1.00 21.40 C ATOM 0 H ILE A 110 4.504 -2.118 -3.603 1.00 43.24 H new ATOM 0 HA ILE A 110 2.249 -3.716 -4.240 1.00 62.31 H new ATOM 0 HB ILE A 110 2.247 -0.691 -4.000 1.00 41.43 H new ATOM 0 HG12 ILE A 110 3.623 -1.308 -2.173 1.00 70.12 H new ATOM 0 HG13 ILE A 110 2.016 -1.087 -1.509 1.00 70.12 H new ATOM 0 HG21 ILE A 110 0.075 -1.101 -2.916 1.00 12.33 H new ATOM 0 HG22 ILE A 110 0.130 -1.787 -4.557 1.00 12.33 H new ATOM 0 HG23 ILE A 110 0.296 -2.852 -3.140 1.00 12.33 H new ATOM 0 HD11 ILE A 110 3.086 -3.076 -0.572 1.00 21.40 H new ATOM 0 HD12 ILE A 110 1.657 -3.529 -1.530 1.00 21.40 H new ATOM 0 HD13 ILE A 110 3.288 -3.753 -2.205 1.00 21.40 H new ATOM 1680 N ALA A 111 3.209 -1.430 -6.431 1.00 71.25 N ATOM 1681 CA ALA A 111 3.080 -1.006 -7.819 1.00 73.35 C ATOM 1682 C ALA A 111 3.261 -2.183 -8.773 1.00 14.11 C ATOM 1683 O ALA A 111 2.496 -2.346 -9.725 1.00 14.10 O ATOM 1684 CB ALA A 111 4.087 0.090 -8.134 1.00 44.11 C ATOM 0 H ALA A 111 3.917 -0.923 -5.899 1.00 71.25 H new ATOM 0 HA ALA A 111 2.074 -0.610 -7.958 1.00 73.35 H new ATOM 0 HB1 ALA A 111 3.978 0.396 -9.174 1.00 44.11 H new ATOM 0 HB2 ALA A 111 3.908 0.946 -7.483 1.00 44.11 H new ATOM 0 HB3 ALA A 111 5.097 -0.286 -7.970 1.00 44.11 H new ATOM 1690 N ILE A 112 4.276 -2.999 -8.510 1.00 65.31 N ATOM 1691 CA ILE A 112 4.556 -4.161 -9.344 1.00 62.35 C ATOM 1692 C ILE A 112 3.523 -5.259 -9.121 1.00 63.33 C ATOM 1693 O ILE A 112 3.152 -5.974 -10.052 1.00 71.23 O ATOM 1694 CB ILE A 112 5.961 -4.726 -9.067 1.00 31.44 C ATOM 1695 CG1 ILE A 112 6.254 -5.903 -10.000 1.00 33.33 C ATOM 1696 CG2 ILE A 112 6.081 -5.156 -7.612 1.00 52.42 C ATOM 1697 CD1 ILE A 112 5.922 -7.251 -9.397 1.00 71.34 C ATOM 0 H ILE A 112 4.918 -2.877 -7.727 1.00 65.31 H new ATOM 0 HA ILE A 112 4.507 -3.826 -10.380 1.00 62.35 H new ATOM 0 HB ILE A 112 6.695 -3.943 -9.257 1.00 31.44 H new ATOM 0 HG12 ILE A 112 5.685 -5.776 -10.921 1.00 33.33 H new ATOM 0 HG13 ILE A 112 7.309 -5.886 -10.272 1.00 33.33 H new ATOM 0 HG21 ILE A 112 7.080 -5.553 -7.431 1.00 52.42 H new ATOM 0 HG22 ILE A 112 5.909 -4.297 -6.963 1.00 52.42 H new ATOM 0 HG23 ILE A 112 5.340 -5.926 -7.398 1.00 52.42 H new ATOM 0 HD11 ILE A 112 6.155 -8.038 -10.114 1.00 71.34 H new ATOM 0 HD12 ILE A 112 6.510 -7.399 -8.492 1.00 71.34 H new ATOM 0 HD13 ILE A 112 4.861 -7.288 -9.150 1.00 71.34 H new ATOM 1709 N GLU A 113 3.062 -5.388 -7.881 1.00 10.31 N ATOM 1710 CA GLU A 113 2.070 -6.400 -7.536 1.00 63.35 C ATOM 1711 C GLU A 113 0.766 -6.165 -8.295 1.00 4.24 C ATOM 1712 O GLU A 113 0.070 -7.113 -8.661 1.00 44.23 O ATOM 1713 CB GLU A 113 1.805 -6.392 -6.030 1.00 72.51 C ATOM 1714 CG GLU A 113 0.980 -7.575 -5.551 1.00 72.55 C ATOM 1715 CD GLU A 113 1.791 -8.854 -5.455 1.00 55.55 C ATOM 1716 OE1 GLU A 113 2.096 -9.444 -6.513 1.00 20.10 O ATOM 1717 OE2 GLU A 113 2.121 -9.261 -4.322 1.00 12.05 O ATOM 0 H GLU A 113 3.359 -4.805 -7.099 1.00 10.31 H new ATOM 0 HA GLU A 113 2.466 -7.374 -7.823 1.00 63.35 H new ATOM 0 HB2 GLU A 113 2.758 -6.387 -5.502 1.00 72.51 H new ATOM 0 HB3 GLU A 113 1.289 -5.469 -5.765 1.00 72.51 H new ATOM 0 HG2 GLU A 113 0.555 -7.345 -4.574 1.00 72.55 H new ATOM 0 HG3 GLU A 113 0.144 -7.730 -6.233 1.00 72.55 H new ATOM 1724 N ARG A 114 0.444 -4.897 -8.526 1.00 34.52 N ATOM 1725 CA ARG A 114 -0.776 -4.537 -9.239 1.00 31.15 C ATOM 1726 C ARG A 114 -0.827 -5.214 -10.605 1.00 34.20 C ATOM 1727 O ARG A 114 -1.848 -5.785 -10.988 1.00 24.13 O ATOM 1728 CB ARG A 114 -0.866 -3.019 -9.406 1.00 32.44 C ATOM 1729 CG ARG A 114 -1.236 -2.286 -8.126 1.00 75.41 C ATOM 1730 CD ARG A 114 -1.310 -0.784 -8.347 1.00 52.14 C ATOM 1731 NE ARG A 114 -0.170 -0.286 -9.114 1.00 32.43 N ATOM 1732 CZ ARG A 114 -0.150 0.900 -9.711 1.00 4.15 C ATOM 1733 NH1 ARG A 114 -1.199 1.706 -9.630 1.00 64.44 N ATOM 1734 NH2 ARG A 114 0.925 1.281 -10.392 1.00 70.03 N ATOM 0 H ARG A 114 1.010 -4.102 -8.230 1.00 34.52 H new ATOM 0 HA ARG A 114 -1.626 -4.881 -8.650 1.00 31.15 H new ATOM 0 HB2 ARG A 114 0.092 -2.644 -9.765 1.00 32.44 H new ATOM 0 HB3 ARG A 114 -1.606 -2.790 -10.173 1.00 32.44 H new ATOM 0 HG2 ARG A 114 -2.197 -2.649 -7.762 1.00 75.41 H new ATOM 0 HG3 ARG A 114 -0.499 -2.505 -7.353 1.00 75.41 H new ATOM 0 HD2 ARG A 114 -2.234 -0.540 -8.871 1.00 52.14 H new ATOM 0 HD3 ARG A 114 -1.347 -0.277 -7.383 1.00 52.14 H new ATOM 0 HE ARG A 114 0.654 -0.881 -9.195 1.00 32.43 H new ATOM 0 HH11 ARG A 114 -2.026 1.416 -9.108 1.00 64.44 H new ATOM 0 HH12 ARG A 114 -1.180 2.616 -10.090 1.00 64.44 H new ATOM 0 HH21 ARG A 114 1.734 0.663 -10.456 1.00 70.03 H new ATOM 0 HH22 ARG A 114 0.942 2.192 -10.851 1.00 70.03 H new ATOM 1748 N SER A 115 0.281 -5.144 -11.336 1.00 50.25 N ATOM 1749 CA SER A 115 0.362 -5.746 -12.662 1.00 35.21 C ATOM 1750 C SER A 115 0.405 -7.268 -12.566 1.00 30.21 C ATOM 1751 O SER A 115 -0.109 -7.971 -13.435 1.00 32.44 O ATOM 1752 CB SER A 115 1.598 -5.235 -13.403 1.00 41.45 C ATOM 1753 OG SER A 115 2.091 -4.046 -12.811 1.00 1.31 O ATOM 0 H SER A 115 1.135 -4.676 -11.032 1.00 50.25 H new ATOM 0 HA SER A 115 -0.530 -5.460 -13.219 1.00 35.21 H new ATOM 0 HB2 SER A 115 2.375 -6.000 -13.392 1.00 41.45 H new ATOM 0 HB3 SER A 115 1.349 -5.049 -14.448 1.00 41.45 H new ATOM 0 HG SER A 115 2.882 -3.740 -13.302 1.00 1.31 H new ATOM 1759 N SER A 116 1.024 -7.769 -11.501 1.00 22.41 N ATOM 1760 CA SER A 116 1.139 -9.208 -11.291 1.00 2.14 C ATOM 1761 C SER A 116 -0.237 -9.848 -11.142 1.00 51.22 C ATOM 1762 O SER A 116 -0.456 -10.983 -11.564 1.00 24.35 O ATOM 1763 CB SER A 116 1.986 -9.498 -10.050 1.00 60.05 C ATOM 1764 OG SER A 116 2.345 -10.868 -9.986 1.00 41.53 O ATOM 0 H SER A 116 1.453 -7.200 -10.771 1.00 22.41 H new ATOM 0 HA SER A 116 1.628 -9.639 -12.165 1.00 2.14 H new ATOM 0 HB2 SER A 116 2.886 -8.883 -10.068 1.00 60.05 H new ATOM 0 HB3 SER A 116 1.430 -9.222 -9.154 1.00 60.05 H new ATOM 0 HG SER A 116 2.887 -11.027 -9.185 1.00 41.53 H new ATOM 1770 N ARG A 117 -1.163 -9.110 -10.539 1.00 35.51 N ATOM 1771 CA ARG A 117 -2.519 -9.604 -10.333 1.00 30.24 C ATOM 1772 C ARG A 117 -3.341 -9.486 -11.612 1.00 33.41 C ATOM 1773 O ARG A 117 -4.282 -10.251 -11.831 1.00 21.40 O ATOM 1774 CB ARG A 117 -3.200 -8.831 -9.201 1.00 70.44 C ATOM 1775 CG ARG A 117 -4.584 -9.354 -8.854 1.00 0.42 C ATOM 1776 CD ARG A 117 -4.509 -10.532 -7.896 1.00 34.11 C ATOM 1777 NE ARG A 117 -4.314 -11.798 -8.596 1.00 63.21 N ATOM 1778 CZ ARG A 117 -5.297 -12.478 -9.174 1.00 34.12 C ATOM 1779 NH1 ARG A 117 -6.540 -12.017 -9.132 1.00 2.00 N ATOM 1780 NH2 ARG A 117 -5.040 -13.623 -9.793 1.00 74.35 N ATOM 0 H ARG A 117 -0.999 -8.168 -10.185 1.00 35.51 H new ATOM 0 HA ARG A 117 -2.458 -10.657 -10.058 1.00 30.24 H new ATOM 0 HB2 ARG A 117 -2.571 -8.875 -8.312 1.00 70.44 H new ATOM 0 HB3 ARG A 117 -3.278 -7.781 -9.485 1.00 70.44 H new ATOM 0 HG2 ARG A 117 -5.174 -8.555 -8.405 1.00 0.42 H new ATOM 0 HG3 ARG A 117 -5.099 -9.657 -9.766 1.00 0.42 H new ATOM 0 HD2 ARG A 117 -3.690 -10.376 -7.194 1.00 34.11 H new ATOM 0 HD3 ARG A 117 -5.426 -10.580 -7.309 1.00 34.11 H new ATOM 0 HE ARG A 117 -3.370 -12.182 -8.644 1.00 63.21 H new ATOM 0 HH11 ARG A 117 -6.742 -11.138 -8.655 1.00 2.00 H new ATOM 0 HH12 ARG A 117 -7.294 -12.541 -9.577 1.00 2.00 H new ATOM 0 HH21 ARG A 117 -4.086 -13.982 -9.825 1.00 74.35 H new ATOM 0 HH22 ARG A 117 -5.797 -14.144 -10.236 1.00 74.35 H new