USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 790 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 89 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 102 ASN : amide:sc= -1.44 K(o=-1.4,f=0.13) USER MOD Set 2.1: A 91 SER OG : rot 180:sc= -0.269 USER MOD Set 2.2: A 100 THR OG1 : rot -93:sc= 0.00226 USER MOD Set 3.1: A 21 LYS NZ :NH3+ -112:sc= 2.01 (180deg=-0.572) USER MOD Set 3.2: A 23 GLN : amide:sc= -0.275 K(o=1.7,f=-12!) USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= 0.915 (180deg=0.913) USER MOD Single : A 17 MET CE :methyl 159:sc= 0 (180deg=-0.629) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 27:sc= 0.189 USER MOD Single : A 25 LYS NZ :NH3+ 160:sc= -0.734 (180deg=-1.61!) USER MOD Single : A 26 LYS NZ :NH3+ -143:sc= -2.84! (180deg=-5.84!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= 1.09 (180deg=0.895) USER MOD Single : A 37 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 38 GLN : amide:sc= -0.969 X(o=-0.97,f=-0.6) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.59) USER MOD Single : A 53 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.026) USER MOD Single : A 55 MET CE :methyl -155:sc= -0.132 (180deg=-0.728) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -2.55! C(o=-2.5!,f=-5.1!) USER MOD Single : A 60 THR OG1 : rot -143:sc= -0.158 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.76! K(o=-1.8!,f=-0.34) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 70 THR OG1 : rot -34:sc= 0.672 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 0.687 (180deg=0.672) USER MOD Single : A 81 ASN : amide:sc= -3.08! K(o=-3.1!,f=-0.48) USER MOD Single : A 82 LYS NZ :NH3+ 136:sc= -1.02 (180deg=-3.05!) USER MOD Single : A 83 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0143) USER MOD Single : A 88 TYR OH : rot -34:sc= -0.016 USER MOD Single : A 94 ASN : amide:sc= -2.16 K(o=-2.2,f=-7.2!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 140:sc= -0.435! USER MOD Single : A 103 THR OG1 : rot 129:sc= -0.975 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N LYS A 13 16.797 -16.726 6.276 1.00 74.44 N ATOM 198 CA LYS A 13 16.168 -16.102 5.107 1.00 44.14 C ATOM 199 C LYS A 13 14.704 -16.568 5.004 1.00 42.43 C ATOM 200 O LYS A 13 14.439 -17.768 4.888 1.00 22.42 O ATOM 201 CB LYS A 13 16.949 -16.488 3.835 1.00 13.31 C ATOM 202 CG LYS A 13 18.431 -16.095 3.878 1.00 65.24 C ATOM 203 CD LYS A 13 19.259 -16.843 2.830 1.00 40.30 C ATOM 204 CE LYS A 13 18.858 -16.486 1.402 1.00 40.15 C ATOM 205 NZ LYS A 13 19.245 -15.098 1.045 1.00 44.44 N ATOM 0 HA LYS A 13 16.185 -15.017 5.212 1.00 44.14 H new ATOM 0 HB2 LYS A 13 16.872 -17.565 3.685 1.00 13.31 H new ATOM 0 HB3 LYS A 13 16.481 -16.012 2.973 1.00 13.31 H new ATOM 0 HG2 LYS A 13 18.525 -15.021 3.714 1.00 65.24 H new ATOM 0 HG3 LYS A 13 18.831 -16.302 4.870 1.00 65.24 H new ATOM 0 HD2 LYS A 13 20.315 -16.614 2.975 1.00 40.30 H new ATOM 0 HD3 LYS A 13 19.142 -17.917 2.979 1.00 40.30 H new ATOM 0 HE2 LYS A 13 19.329 -17.183 0.709 1.00 40.15 H new ATOM 0 HE3 LYS A 13 17.780 -16.602 1.289 1.00 40.15 H new ATOM 0 HZ1 LYS A 13 18.769 -14.821 0.163 1.00 44.44 H new ATOM 0 HZ2 LYS A 13 18.962 -14.451 1.809 1.00 44.44 H new ATOM 0 HZ3 LYS A 13 20.275 -15.048 0.913 1.00 44.44 H new ATOM 219 N ARG A 14 13.754 -15.635 5.045 1.00 33.43 N ATOM 220 CA ARG A 14 12.330 -15.997 5.089 1.00 30.12 C ATOM 221 C ARG A 14 11.499 -15.184 4.085 1.00 11.33 C ATOM 222 O ARG A 14 11.465 -13.953 4.144 1.00 4.32 O ATOM 223 CB ARG A 14 11.780 -15.790 6.509 1.00 0.31 C ATOM 224 CG ARG A 14 10.451 -16.491 6.770 1.00 45.41 C ATOM 225 CD ARG A 14 10.604 -18.005 6.696 1.00 61.12 C ATOM 226 NE ARG A 14 9.344 -18.709 6.918 1.00 42.10 N ATOM 227 CZ ARG A 14 9.080 -19.898 6.446 1.00 3.03 C ATOM 228 NH1 ARG A 14 9.955 -20.529 5.725 1.00 44.11 N ATOM 229 NH2 ARG A 14 7.943 -20.456 6.706 1.00 51.43 N ATOM 0 H ARG A 14 13.937 -14.632 5.049 1.00 33.43 H new ATOM 0 HA ARG A 14 12.249 -17.048 4.811 1.00 30.12 H new ATOM 0 HB2 ARG A 14 12.516 -16.150 7.228 1.00 0.31 H new ATOM 0 HB3 ARG A 14 11.656 -14.722 6.687 1.00 0.31 H new ATOM 0 HG2 ARG A 14 10.074 -16.208 7.753 1.00 45.41 H new ATOM 0 HG3 ARG A 14 9.713 -16.161 6.039 1.00 45.41 H new ATOM 0 HD2 ARG A 14 11.001 -18.279 5.719 1.00 61.12 H new ATOM 0 HD3 ARG A 14 11.333 -18.329 7.439 1.00 61.12 H new ATOM 0 HE ARG A 14 8.627 -18.244 7.475 1.00 42.10 H new ATOM 0 HH11 ARG A 14 10.857 -20.097 5.523 1.00 44.11 H new ATOM 0 HH12 ARG A 14 9.741 -21.457 5.360 1.00 44.11 H new ATOM 0 HH21 ARG A 14 7.254 -19.968 7.279 1.00 51.43 H new ATOM 0 HH22 ARG A 14 7.735 -21.384 6.338 1.00 51.43 H new ATOM 243 N ALA A 15 10.825 -15.889 3.174 1.00 53.14 N ATOM 244 CA ALA A 15 9.988 -15.249 2.152 1.00 10.34 C ATOM 245 C ALA A 15 8.785 -14.512 2.772 1.00 14.44 C ATOM 246 O ALA A 15 8.178 -14.991 3.735 1.00 23.43 O ATOM 247 CB ALA A 15 9.515 -16.290 1.138 1.00 13.13 C ATOM 0 H ALA A 15 10.842 -16.908 3.122 1.00 53.14 H new ATOM 0 HA ALA A 15 10.596 -14.501 1.643 1.00 10.34 H new ATOM 0 HB1 ALA A 15 8.895 -15.807 0.383 1.00 13.13 H new ATOM 0 HB2 ALA A 15 10.379 -16.749 0.658 1.00 13.13 H new ATOM 0 HB3 ALA A 15 8.933 -17.057 1.649 1.00 13.13 H new ATOM 253 N PRO A 16 8.418 -13.335 2.215 1.00 11.41 N ATOM 254 CA PRO A 16 7.318 -12.508 2.745 1.00 54.01 C ATOM 255 C PRO A 16 5.930 -13.153 2.580 1.00 0.53 C ATOM 256 O PRO A 16 5.565 -13.610 1.498 1.00 13.45 O ATOM 257 CB PRO A 16 7.420 -11.213 1.923 1.00 43.14 C ATOM 258 CG PRO A 16 8.092 -11.618 0.656 1.00 2.21 C ATOM 259 CD PRO A 16 9.049 -12.718 1.029 1.00 14.10 C ATOM 0 HA PRO A 16 7.414 -12.360 3.821 1.00 54.01 H new ATOM 0 HB2 PRO A 16 6.435 -10.788 1.730 1.00 43.14 H new ATOM 0 HB3 PRO A 16 7.996 -10.454 2.451 1.00 43.14 H new ATOM 0 HG2 PRO A 16 7.365 -11.965 -0.078 1.00 2.21 H new ATOM 0 HG3 PRO A 16 8.620 -10.776 0.208 1.00 2.21 H new ATOM 0 HD2 PRO A 16 9.170 -13.437 0.219 1.00 14.10 H new ATOM 0 HD3 PRO A 16 10.040 -12.327 1.259 1.00 14.10 H new ATOM 267 N MET A 17 5.165 -13.183 3.668 1.00 20.14 N ATOM 268 CA MET A 17 3.806 -13.733 3.658 1.00 24.33 C ATOM 269 C MET A 17 2.774 -12.677 4.087 1.00 11.51 C ATOM 270 O MET A 17 2.865 -12.122 5.186 1.00 60.24 O ATOM 271 CB MET A 17 3.731 -14.951 4.593 1.00 50.25 C ATOM 272 CG MET A 17 2.311 -15.426 4.882 1.00 64.13 C ATOM 273 SD MET A 17 1.384 -15.812 3.384 1.00 50.13 S ATOM 274 CE MET A 17 -0.243 -16.141 4.066 1.00 20.33 C ATOM 0 H MET A 17 5.464 -12.830 4.577 1.00 20.14 H new ATOM 0 HA MET A 17 3.570 -14.040 2.639 1.00 24.33 H new ATOM 0 HB2 MET A 17 4.294 -15.772 4.149 1.00 50.25 H new ATOM 0 HB3 MET A 17 4.219 -14.703 5.536 1.00 50.25 H new ATOM 0 HG2 MET A 17 2.351 -16.311 5.517 1.00 64.13 H new ATOM 0 HG3 MET A 17 1.782 -14.655 5.443 1.00 64.13 H new ATOM 0 HE1 MET A 17 -0.995 -16.027 3.285 1.00 20.33 H new ATOM 0 HE2 MET A 17 -0.275 -17.159 4.455 1.00 20.33 H new ATOM 0 HE3 MET A 17 -0.448 -15.437 4.873 1.00 20.33 H new ATOM 284 N PHE A 18 1.797 -12.400 3.220 1.00 45.24 N ATOM 285 CA PHE A 18 0.693 -11.495 3.567 1.00 44.44 C ATOM 286 C PHE A 18 -0.260 -12.139 4.587 1.00 41.13 C ATOM 287 O PHE A 18 -1.054 -13.017 4.247 1.00 70.24 O ATOM 288 CB PHE A 18 -0.105 -11.090 2.314 1.00 41.44 C ATOM 289 CG PHE A 18 0.510 -9.970 1.508 1.00 25.13 C ATOM 290 CD1 PHE A 18 0.259 -8.646 1.839 1.00 2.11 C ATOM 291 CD2 PHE A 18 1.317 -10.238 0.410 1.00 61.12 C ATOM 292 CE1 PHE A 18 0.801 -7.615 1.097 1.00 34.35 C ATOM 293 CE2 PHE A 18 1.866 -9.208 -0.334 1.00 41.34 C ATOM 294 CZ PHE A 18 1.606 -7.894 0.009 1.00 70.43 C ATOM 0 H PHE A 18 1.746 -12.786 2.277 1.00 45.24 H new ATOM 0 HA PHE A 18 1.139 -10.606 4.012 1.00 44.44 H new ATOM 0 HB2 PHE A 18 -0.215 -11.964 1.672 1.00 41.44 H new ATOM 0 HB3 PHE A 18 -1.108 -10.791 2.619 1.00 41.44 H new ATOM 0 HD1 PHE A 18 -0.369 -8.419 2.688 1.00 2.11 H new ATOM 0 HD2 PHE A 18 1.519 -11.262 0.133 1.00 61.12 H new ATOM 0 HE1 PHE A 18 0.596 -6.590 1.367 1.00 34.35 H new ATOM 0 HE2 PHE A 18 2.497 -9.430 -1.182 1.00 41.34 H new ATOM 0 HZ PHE A 18 2.031 -7.088 -0.572 1.00 70.43 H new ATOM 304 N ILE A 19 -0.178 -11.697 5.836 1.00 10.13 N ATOM 305 CA ILE A 19 -1.115 -12.134 6.875 1.00 33.04 C ATOM 306 C ILE A 19 -2.463 -11.415 6.699 1.00 64.52 C ATOM 307 O ILE A 19 -3.522 -11.929 7.067 1.00 35.01 O ATOM 308 CB ILE A 19 -0.557 -11.847 8.292 1.00 62.21 C ATOM 309 CG1 ILE A 19 0.889 -12.355 8.414 1.00 61.42 C ATOM 310 CG2 ILE A 19 -1.443 -12.490 9.361 1.00 4.00 C ATOM 311 CD1 ILE A 19 1.545 -12.032 9.741 1.00 63.13 C ATOM 0 H ILE A 19 0.528 -11.035 6.159 1.00 10.13 H new ATOM 0 HA ILE A 19 -1.254 -13.210 6.772 1.00 33.04 H new ATOM 0 HB ILE A 19 -0.559 -10.768 8.449 1.00 62.21 H new ATOM 0 HG12 ILE A 19 0.897 -13.435 8.270 1.00 61.42 H new ATOM 0 HG13 ILE A 19 1.485 -11.921 7.611 1.00 61.42 H new ATOM 0 HG21 ILE A 19 -1.034 -12.277 10.349 1.00 4.00 H new ATOM 0 HG22 ILE A 19 -2.452 -12.083 9.290 1.00 4.00 H new ATOM 0 HG23 ILE A 19 -1.475 -13.569 9.207 1.00 4.00 H new ATOM 0 HD11 ILE A 19 2.562 -12.423 9.749 1.00 63.13 H new ATOM 0 HD12 ILE A 19 1.571 -10.951 9.881 1.00 63.13 H new ATOM 0 HD13 ILE A 19 0.974 -12.489 10.550 1.00 63.13 H new ATOM 323 N TYR A 20 -2.395 -10.208 6.139 1.00 33.11 N ATOM 324 CA TYR A 20 -3.580 -9.410 5.807 1.00 31.43 C ATOM 325 C TYR A 20 -3.366 -8.640 4.502 1.00 65.44 C ATOM 326 O TYR A 20 -2.256 -8.195 4.214 1.00 23.13 O ATOM 327 CB TYR A 20 -3.891 -8.383 6.906 1.00 71.34 C ATOM 328 CG TYR A 20 -4.336 -8.968 8.228 1.00 45.24 C ATOM 329 CD1 TYR A 20 -5.640 -9.416 8.408 1.00 53.55 C ATOM 330 CD2 TYR A 20 -3.463 -9.041 9.302 1.00 4.51 C ATOM 331 CE1 TYR A 20 -6.055 -9.921 9.623 1.00 41.42 C ATOM 332 CE2 TYR A 20 -3.866 -9.549 10.516 1.00 73.13 C ATOM 333 CZ TYR A 20 -5.166 -9.986 10.673 1.00 34.44 C ATOM 334 OH TYR A 20 -5.583 -10.473 11.890 1.00 0.24 O ATOM 0 H TYR A 20 -1.514 -9.752 5.901 1.00 33.11 H new ATOM 0 HA TYR A 20 -4.410 -10.109 5.708 1.00 31.43 H new ATOM 0 HB2 TYR A 20 -3.001 -7.777 7.076 1.00 71.34 H new ATOM 0 HB3 TYR A 20 -4.670 -7.712 6.544 1.00 71.34 H new ATOM 0 HD1 TYR A 20 -6.338 -9.368 7.585 1.00 53.55 H new ATOM 0 HD2 TYR A 20 -2.448 -8.693 9.184 1.00 4.51 H new ATOM 0 HE1 TYR A 20 -7.071 -10.263 9.750 1.00 41.42 H new ATOM 0 HE2 TYR A 20 -3.170 -9.605 11.340 1.00 73.13 H new ATOM 0 HH TYR A 20 -4.836 -10.453 12.524 1.00 0.24 H new ATOM 344 N LYS A 21 -4.425 -8.493 3.719 1.00 70.32 N ATOM 345 CA LYS A 21 -4.429 -7.546 2.603 1.00 42.12 C ATOM 346 C LYS A 21 -5.136 -6.246 3.023 1.00 35.21 C ATOM 347 O LYS A 21 -6.005 -6.262 3.902 1.00 0.45 O ATOM 348 CB LYS A 21 -5.125 -8.144 1.369 1.00 22.22 C ATOM 349 CG LYS A 21 -6.601 -8.472 1.581 1.00 21.33 C ATOM 350 CD LYS A 21 -7.316 -8.750 0.261 1.00 20.31 C ATOM 351 CE LYS A 21 -7.419 -7.497 -0.610 1.00 74.43 C ATOM 352 NZ LYS A 21 -8.234 -6.432 0.036 1.00 63.10 N ATOM 0 H LYS A 21 -5.294 -9.015 3.832 1.00 70.32 H new ATOM 0 HA LYS A 21 -3.394 -7.329 2.338 1.00 42.12 H new ATOM 0 HB2 LYS A 21 -5.036 -7.442 0.540 1.00 22.22 H new ATOM 0 HB3 LYS A 21 -4.601 -9.053 1.075 1.00 22.22 H new ATOM 0 HG2 LYS A 21 -6.690 -9.341 2.233 1.00 21.33 H new ATOM 0 HG3 LYS A 21 -7.088 -7.641 2.090 1.00 21.33 H new ATOM 0 HD2 LYS A 21 -6.781 -9.528 -0.284 1.00 20.31 H new ATOM 0 HD3 LYS A 21 -8.316 -9.134 0.464 1.00 20.31 H new ATOM 0 HE2 LYS A 21 -6.419 -7.114 -0.814 1.00 74.43 H new ATOM 0 HE3 LYS A 21 -7.862 -7.759 -1.571 1.00 74.43 H new ATOM 0 HZ1 LYS A 21 -9.118 -6.300 -0.496 1.00 63.10 H new ATOM 0 HZ2 LYS A 21 -8.457 -6.710 1.013 1.00 63.10 H new ATOM 0 HZ3 LYS A 21 -7.698 -5.541 0.043 1.00 63.10 H new ATOM 366 N PRO A 22 -4.771 -5.096 2.430 1.00 13.30 N ATOM 367 CA PRO A 22 -5.458 -3.834 2.716 1.00 1.10 C ATOM 368 C PRO A 22 -6.877 -3.833 2.127 1.00 35.13 C ATOM 369 O PRO A 22 -7.093 -4.278 0.997 1.00 65.42 O ATOM 370 CB PRO A 22 -4.584 -2.755 2.059 1.00 24.23 C ATOM 371 CG PRO A 22 -3.395 -3.458 1.482 1.00 44.31 C ATOM 372 CD PRO A 22 -3.700 -4.934 1.441 1.00 0.12 C ATOM 0 HA PRO A 22 -5.580 -3.666 3.786 1.00 1.10 H new ATOM 0 HB2 PRO A 22 -5.138 -2.229 1.281 1.00 24.23 H new ATOM 0 HB3 PRO A 22 -4.275 -2.009 2.791 1.00 24.23 H new ATOM 0 HG2 PRO A 22 -3.181 -3.085 0.480 1.00 44.31 H new ATOM 0 HG3 PRO A 22 -2.509 -3.269 2.088 1.00 44.31 H new ATOM 0 HD2 PRO A 22 -4.021 -5.249 0.448 1.00 0.12 H new ATOM 0 HD3 PRO A 22 -2.825 -5.531 1.697 1.00 0.12 H new ATOM 380 N GLN A 23 -7.845 -3.350 2.894 1.00 53.34 N ATOM 381 CA GLN A 23 -9.247 -3.414 2.475 1.00 11.43 C ATOM 382 C GLN A 23 -9.728 -2.104 1.840 1.00 2.43 C ATOM 383 O GLN A 23 -9.298 -1.018 2.227 1.00 11.22 O ATOM 384 CB GLN A 23 -10.138 -3.796 3.663 1.00 1.24 C ATOM 385 CG GLN A 23 -9.826 -5.174 4.238 1.00 63.34 C ATOM 386 CD GLN A 23 -9.937 -6.282 3.202 1.00 14.21 C ATOM 387 OE1 GLN A 23 -8.975 -6.609 2.517 1.00 24.33 O ATOM 388 NE2 GLN A 23 -11.111 -6.862 3.074 1.00 32.03 N ATOM 0 H GLN A 23 -7.692 -2.912 3.803 1.00 53.34 H new ATOM 0 HA GLN A 23 -9.321 -4.184 1.707 1.00 11.43 H new ATOM 0 HB2 GLN A 23 -10.023 -3.049 4.448 1.00 1.24 H new ATOM 0 HB3 GLN A 23 -11.181 -3.770 3.348 1.00 1.24 H new ATOM 0 HG2 GLN A 23 -8.818 -5.170 4.653 1.00 63.34 H new ATOM 0 HG3 GLN A 23 -10.509 -5.383 5.061 1.00 63.34 H new ATOM 0 HE21 GLN A 23 -11.892 -6.567 3.660 1.00 32.03 H new ATOM 0 HE22 GLN A 23 -11.240 -7.607 2.389 1.00 32.03 H new ATOM 397 N SER A 24 -10.622 -2.224 0.858 1.00 61.05 N ATOM 398 CA SER A 24 -11.116 -1.065 0.100 1.00 72.52 C ATOM 399 C SER A 24 -11.802 -0.019 0.994 1.00 64.35 C ATOM 400 O SER A 24 -12.782 -0.307 1.688 1.00 45.45 O ATOM 401 CB SER A 24 -12.081 -1.517 -1.009 1.00 44.33 C ATOM 402 OG SER A 24 -13.194 -2.227 -0.481 1.00 43.21 O ATOM 0 H SER A 24 -11.023 -3.115 0.565 1.00 61.05 H new ATOM 0 HA SER A 24 -10.242 -0.589 -0.345 1.00 72.52 H new ATOM 0 HB2 SER A 24 -12.434 -0.646 -1.561 1.00 44.33 H new ATOM 0 HB3 SER A 24 -11.549 -2.150 -1.719 1.00 44.33 H new ATOM 0 HG SER A 24 -13.366 -1.929 0.437 1.00 43.21 H new ATOM 408 N LYS A 25 -11.280 1.204 0.959 1.00 13.32 N ATOM 409 CA LYS A 25 -11.854 2.323 1.712 1.00 71.22 C ATOM 410 C LYS A 25 -12.361 3.401 0.743 1.00 4.24 C ATOM 411 O LYS A 25 -11.713 3.695 -0.260 1.00 55.21 O ATOM 412 CB LYS A 25 -10.802 2.925 2.665 1.00 22.33 C ATOM 413 CG LYS A 25 -10.124 1.901 3.579 1.00 32.14 C ATOM 414 CD LYS A 25 -11.086 1.280 4.599 1.00 72.05 C ATOM 415 CE LYS A 25 -11.181 2.097 5.889 1.00 15.25 C ATOM 416 NZ LYS A 25 -11.747 3.456 5.673 1.00 71.11 N ATOM 0 H LYS A 25 -10.454 1.450 0.414 1.00 13.32 H new ATOM 0 HA LYS A 25 -12.691 1.953 2.304 1.00 71.22 H new ATOM 0 HB2 LYS A 25 -10.038 3.429 2.073 1.00 22.33 H new ATOM 0 HB3 LYS A 25 -11.280 3.686 3.282 1.00 22.33 H new ATOM 0 HG2 LYS A 25 -9.689 1.109 2.969 1.00 32.14 H new ATOM 0 HG3 LYS A 25 -9.302 2.383 4.109 1.00 32.14 H new ATOM 0 HD2 LYS A 25 -12.077 1.194 4.153 1.00 72.05 H new ATOM 0 HD3 LYS A 25 -10.755 0.269 4.837 1.00 72.05 H new ATOM 0 HE2 LYS A 25 -11.801 1.561 6.608 1.00 15.25 H new ATOM 0 HE3 LYS A 25 -10.188 2.188 6.329 1.00 15.25 H new ATOM 0 HZ1 LYS A 25 -12.102 3.832 6.576 1.00 71.11 H new ATOM 0 HZ2 LYS A 25 -11.007 4.086 5.303 1.00 71.11 H new ATOM 0 HZ3 LYS A 25 -12.529 3.402 4.989 1.00 71.11 H new ATOM 430 N LYS A 26 -13.526 3.975 1.030 1.00 41.24 N ATOM 431 CA LYS A 26 -14.117 4.996 0.155 1.00 23.40 C ATOM 432 C LYS A 26 -14.296 6.339 0.880 1.00 61.33 C ATOM 433 O LYS A 26 -15.046 6.446 1.851 1.00 71.32 O ATOM 434 CB LYS A 26 -15.451 4.493 -0.423 1.00 62.54 C ATOM 435 CG LYS A 26 -16.418 3.928 0.613 1.00 63.10 C ATOM 436 CD LYS A 26 -17.663 3.306 -0.032 1.00 12.03 C ATOM 437 CE LYS A 26 -17.354 2.029 -0.822 1.00 61.31 C ATOM 438 NZ LYS A 26 -16.573 2.289 -2.066 1.00 10.24 N ATOM 0 H LYS A 26 -14.081 3.755 1.857 1.00 41.24 H new ATOM 0 HA LYS A 26 -13.425 5.172 -0.669 1.00 23.40 H new ATOM 0 HB2 LYS A 26 -15.939 5.316 -0.946 1.00 62.54 H new ATOM 0 HB3 LYS A 26 -15.243 3.722 -1.165 1.00 62.54 H new ATOM 0 HG2 LYS A 26 -15.906 3.174 1.211 1.00 63.10 H new ATOM 0 HG3 LYS A 26 -16.723 4.723 1.294 1.00 63.10 H new ATOM 0 HD2 LYS A 26 -18.393 3.078 0.745 1.00 12.03 H new ATOM 0 HD3 LYS A 26 -18.124 4.036 -0.698 1.00 12.03 H new ATOM 0 HE2 LYS A 26 -16.796 1.341 -0.186 1.00 61.31 H new ATOM 0 HE3 LYS A 26 -18.290 1.534 -1.083 1.00 61.31 H new ATOM 0 HZ1 LYS A 26 -16.896 1.649 -2.819 1.00 10.24 H new ATOM 0 HZ2 LYS A 26 -16.715 3.275 -2.365 1.00 10.24 H new ATOM 0 HZ3 LYS A 26 -15.563 2.125 -1.882 1.00 10.24 H new ATOM 452 N VAL A 27 -13.603 7.365 0.387 1.00 41.31 N ATOM 453 CA VAL A 27 -13.615 8.699 1.008 1.00 2.32 C ATOM 454 C VAL A 27 -14.139 9.771 0.036 1.00 42.11 C ATOM 455 O VAL A 27 -14.467 9.471 -1.111 1.00 54.32 O ATOM 456 CB VAL A 27 -12.198 9.100 1.497 1.00 3.14 C ATOM 457 CG1 VAL A 27 -11.678 8.097 2.524 1.00 64.43 C ATOM 458 CG2 VAL A 27 -11.231 9.222 0.319 1.00 24.32 C ATOM 0 H VAL A 27 -13.020 7.301 -0.448 1.00 41.31 H new ATOM 0 HA VAL A 27 -14.288 8.643 1.864 1.00 2.32 H new ATOM 0 HB VAL A 27 -12.268 10.075 1.979 1.00 3.14 H new ATOM 0 HG11 VAL A 27 -10.683 8.397 2.854 1.00 64.43 H new ATOM 0 HG12 VAL A 27 -12.352 8.071 3.380 1.00 64.43 H new ATOM 0 HG13 VAL A 27 -11.627 7.106 2.072 1.00 64.43 H new ATOM 0 HG21 VAL A 27 -10.244 9.504 0.686 1.00 24.32 H new ATOM 0 HG22 VAL A 27 -11.166 8.265 -0.199 1.00 24.32 H new ATOM 0 HG23 VAL A 27 -11.593 9.984 -0.371 1.00 24.32 H new ATOM 468 N LEU A 28 -14.229 11.019 0.504 1.00 55.12 N ATOM 469 CA LEU A 28 -14.681 12.133 -0.342 1.00 62.54 C ATOM 470 C LEU A 28 -13.495 12.833 -1.031 1.00 55.32 C ATOM 471 O LEU A 28 -12.352 12.730 -0.582 1.00 50.52 O ATOM 472 CB LEU A 28 -15.467 13.161 0.491 1.00 71.11 C ATOM 473 CG LEU A 28 -16.782 12.658 1.108 1.00 72.31 C ATOM 474 CD1 LEU A 28 -17.403 13.729 2.005 1.00 51.35 C ATOM 475 CD2 LEU A 28 -17.764 12.238 0.016 1.00 54.03 C ATOM 0 H LEU A 28 -13.996 11.285 1.461 1.00 55.12 H new ATOM 0 HA LEU A 28 -15.331 11.714 -1.110 1.00 62.54 H new ATOM 0 HB2 LEU A 28 -14.823 13.517 1.295 1.00 71.11 H new ATOM 0 HB3 LEU A 28 -15.690 14.019 -0.143 1.00 71.11 H new ATOM 0 HG LEU A 28 -16.558 11.786 1.722 1.00 72.31 H new ATOM 0 HD11 LEU A 28 -18.333 13.352 2.431 1.00 51.35 H new ATOM 0 HD12 LEU A 28 -16.710 13.977 2.809 1.00 51.35 H new ATOM 0 HD13 LEU A 28 -17.610 14.622 1.415 1.00 51.35 H new ATOM 0 HD21 LEU A 28 -18.688 11.885 0.474 1.00 54.03 H new ATOM 0 HD22 LEU A 28 -17.980 13.091 -0.627 1.00 54.03 H new ATOM 0 HD23 LEU A 28 -17.325 11.437 -0.579 1.00 54.03 H new ATOM 487 N GLU A 29 -13.779 13.549 -2.119 1.00 60.01 N ATOM 488 CA GLU A 29 -12.741 14.262 -2.881 1.00 14.33 C ATOM 489 C GLU A 29 -11.946 15.257 -2.016 1.00 54.11 C ATOM 490 O GLU A 29 -12.462 16.300 -1.609 1.00 72.02 O ATOM 491 CB GLU A 29 -13.368 15.003 -4.073 1.00 2.34 C ATOM 492 CG GLU A 29 -13.924 14.080 -5.148 1.00 3.05 C ATOM 493 CD GLU A 29 -14.357 14.830 -6.398 1.00 13.32 C ATOM 494 OE1 GLU A 29 -15.523 15.267 -6.463 1.00 24.42 O ATOM 495 OE2 GLU A 29 -13.526 14.985 -7.319 1.00 71.52 O ATOM 0 H GLU A 29 -14.720 13.654 -2.497 1.00 60.01 H new ATOM 0 HA GLU A 29 -12.041 13.507 -3.238 1.00 14.33 H new ATOM 0 HB2 GLU A 29 -14.170 15.645 -3.708 1.00 2.34 H new ATOM 0 HB3 GLU A 29 -12.617 15.654 -4.520 1.00 2.34 H new ATOM 0 HG2 GLU A 29 -13.167 13.343 -5.415 1.00 3.05 H new ATOM 0 HG3 GLU A 29 -14.775 13.531 -4.745 1.00 3.05 H new ATOM 502 N GLY A 30 -10.686 14.922 -1.744 1.00 54.13 N ATOM 503 CA GLY A 30 -9.811 15.811 -0.988 1.00 42.12 C ATOM 504 C GLY A 30 -9.519 15.320 0.427 1.00 64.44 C ATOM 505 O GLY A 30 -8.662 15.873 1.117 1.00 54.10 O ATOM 0 H GLY A 30 -10.252 14.046 -2.035 1.00 54.13 H new ATOM 0 HA2 GLY A 30 -8.870 15.925 -1.526 1.00 42.12 H new ATOM 0 HA3 GLY A 30 -10.269 16.799 -0.934 1.00 42.12 H new ATOM 509 N ASP A 31 -10.226 14.282 0.863 1.00 2.35 N ATOM 510 CA ASP A 31 -10.023 13.717 2.201 1.00 22.21 C ATOM 511 C ASP A 31 -8.784 12.802 2.252 1.00 53.15 C ATOM 512 O ASP A 31 -8.056 12.659 1.266 1.00 20.24 O ATOM 513 CB ASP A 31 -11.274 12.949 2.647 1.00 33.42 C ATOM 514 CG ASP A 31 -12.469 13.859 2.897 1.00 44.15 C ATOM 515 OD1 ASP A 31 -12.295 15.100 2.930 1.00 3.32 O ATOM 516 OD2 ASP A 31 -13.587 13.335 3.087 1.00 60.40 O ATOM 0 H ASP A 31 -10.945 13.812 0.313 1.00 2.35 H new ATOM 0 HA ASP A 31 -9.848 14.545 2.888 1.00 22.21 H new ATOM 0 HB2 ASP A 31 -11.535 12.216 1.884 1.00 33.42 H new ATOM 0 HB3 ASP A 31 -11.049 12.395 3.558 1.00 33.42 H new ATOM 521 N SER A 32 -8.543 12.199 3.415 1.00 22.30 N ATOM 522 CA SER A 32 -7.381 11.319 3.612 1.00 73.32 C ATOM 523 C SER A 32 -7.802 9.872 3.891 1.00 13.45 C ATOM 524 O SER A 32 -8.933 9.602 4.316 1.00 61.42 O ATOM 525 CB SER A 32 -6.514 11.825 4.775 1.00 5.42 C ATOM 526 OG SER A 32 -7.222 11.780 6.008 1.00 31.44 O ATOM 0 H SER A 32 -9.135 12.301 4.239 1.00 22.30 H new ATOM 0 HA SER A 32 -6.806 11.338 2.686 1.00 73.32 H new ATOM 0 HB2 SER A 32 -5.612 11.218 4.849 1.00 5.42 H new ATOM 0 HB3 SER A 32 -6.194 12.848 4.574 1.00 5.42 H new ATOM 0 HG SER A 32 -6.644 12.106 6.729 1.00 31.44 H new ATOM 532 N VAL A 33 -6.882 8.943 3.654 1.00 24.35 N ATOM 533 CA VAL A 33 -7.130 7.518 3.894 1.00 2.12 C ATOM 534 C VAL A 33 -5.832 6.781 4.266 1.00 70.51 C ATOM 535 O VAL A 33 -4.739 7.183 3.853 1.00 50.43 O ATOM 536 CB VAL A 33 -7.756 6.843 2.645 1.00 1.31 C ATOM 537 CG1 VAL A 33 -6.782 6.874 1.468 1.00 12.52 C ATOM 538 CG2 VAL A 33 -8.198 5.412 2.956 1.00 31.21 C ATOM 0 H VAL A 33 -5.950 9.149 3.293 1.00 24.35 H new ATOM 0 HA VAL A 33 -7.829 7.452 4.728 1.00 2.12 H new ATOM 0 HB VAL A 33 -8.644 7.410 2.364 1.00 1.31 H new ATOM 0 HG11 VAL A 33 -7.241 6.396 0.603 1.00 12.52 H new ATOM 0 HG12 VAL A 33 -6.539 7.908 1.224 1.00 12.52 H new ATOM 0 HG13 VAL A 33 -5.870 6.340 1.736 1.00 12.52 H new ATOM 0 HG21 VAL A 33 -8.633 4.963 2.063 1.00 31.21 H new ATOM 0 HG22 VAL A 33 -7.336 4.826 3.273 1.00 31.21 H new ATOM 0 HG23 VAL A 33 -8.941 5.426 3.754 1.00 31.21 H new ATOM 548 N LYS A 34 -5.955 5.711 5.050 1.00 30.04 N ATOM 549 CA LYS A 34 -4.804 4.871 5.399 1.00 33.44 C ATOM 550 C LYS A 34 -5.061 3.392 5.058 1.00 53.21 C ATOM 551 O LYS A 34 -6.048 2.798 5.494 1.00 51.52 O ATOM 552 CB LYS A 34 -4.456 5.020 6.889 1.00 61.13 C ATOM 553 CG LYS A 34 -5.609 4.710 7.843 1.00 34.22 C ATOM 554 CD LYS A 34 -5.133 4.598 9.290 1.00 0.12 C ATOM 555 CE LYS A 34 -4.133 3.460 9.457 1.00 74.23 C ATOM 556 NZ LYS A 34 -3.707 3.283 10.869 1.00 10.45 N ATOM 0 H LYS A 34 -6.838 5.403 5.457 1.00 30.04 H new ATOM 0 HA LYS A 34 -3.957 5.211 4.803 1.00 33.44 H new ATOM 0 HB2 LYS A 34 -3.621 4.359 7.122 1.00 61.13 H new ATOM 0 HB3 LYS A 34 -4.116 6.040 7.070 1.00 61.13 H new ATOM 0 HG2 LYS A 34 -6.363 5.493 7.768 1.00 34.22 H new ATOM 0 HG3 LYS A 34 -6.087 3.777 7.544 1.00 34.22 H new ATOM 0 HD2 LYS A 34 -4.673 5.537 9.598 1.00 0.12 H new ATOM 0 HD3 LYS A 34 -5.988 4.432 9.945 1.00 0.12 H new ATOM 0 HE2 LYS A 34 -4.578 2.533 9.096 1.00 74.23 H new ATOM 0 HE3 LYS A 34 -3.257 3.656 8.838 1.00 74.23 H new ATOM 0 HZ1 LYS A 34 -3.254 2.354 10.981 1.00 10.45 H new ATOM 0 HZ2 LYS A 34 -3.031 4.031 11.124 1.00 10.45 H new ATOM 0 HZ3 LYS A 34 -4.538 3.340 11.492 1.00 10.45 H new ATOM 570 N LEU A 35 -4.172 2.807 4.261 1.00 31.21 N ATOM 571 CA LEU A 35 -4.255 1.386 3.905 1.00 4.50 C ATOM 572 C LEU A 35 -3.101 0.606 4.553 1.00 1.12 C ATOM 573 O LEU A 35 -1.939 0.806 4.202 1.00 74.33 O ATOM 574 CB LEU A 35 -4.203 1.228 2.376 1.00 43.10 C ATOM 575 CG LEU A 35 -5.327 1.939 1.601 1.00 11.22 C ATOM 576 CD1 LEU A 35 -5.111 1.808 0.095 1.00 44.22 C ATOM 577 CD2 LEU A 35 -6.692 1.381 1.999 1.00 23.22 C ATOM 0 H LEU A 35 -3.379 3.295 3.845 1.00 31.21 H new ATOM 0 HA LEU A 35 -5.199 0.985 4.275 1.00 4.50 H new ATOM 0 HB2 LEU A 35 -3.244 1.606 2.021 1.00 43.10 H new ATOM 0 HB3 LEU A 35 -4.235 0.165 2.136 1.00 43.10 H new ATOM 0 HG LEU A 35 -5.301 2.998 1.859 1.00 11.22 H new ATOM 0 HD11 LEU A 35 -5.917 2.317 -0.434 1.00 44.22 H new ATOM 0 HD12 LEU A 35 -4.157 2.259 -0.176 1.00 44.22 H new ATOM 0 HD13 LEU A 35 -5.105 0.754 -0.181 1.00 44.22 H new ATOM 0 HD21 LEU A 35 -7.473 1.897 1.440 1.00 23.22 H new ATOM 0 HD22 LEU A 35 -6.729 0.315 1.775 1.00 23.22 H new ATOM 0 HD23 LEU A 35 -6.850 1.533 3.067 1.00 23.22 H new ATOM 589 N GLU A 36 -3.413 -0.280 5.500 1.00 65.22 N ATOM 590 CA GLU A 36 -2.370 -1.030 6.215 1.00 61.14 C ATOM 591 C GLU A 36 -2.594 -2.550 6.159 1.00 62.30 C ATOM 592 O GLU A 36 -3.721 -3.026 5.986 1.00 34.54 O ATOM 593 CB GLU A 36 -2.258 -0.557 7.675 1.00 34.21 C ATOM 594 CG GLU A 36 -3.544 -0.668 8.487 1.00 1.31 C ATOM 595 CD GLU A 36 -3.345 -0.261 9.943 1.00 60.35 C ATOM 596 OE1 GLU A 36 -2.730 0.795 10.197 1.00 74.15 O ATOM 597 OE2 GLU A 36 -3.813 -0.985 10.845 1.00 44.22 O ATOM 0 H GLU A 36 -4.367 -0.497 5.790 1.00 65.22 H new ATOM 0 HA GLU A 36 -1.430 -0.824 5.703 1.00 61.14 H new ATOM 0 HB2 GLU A 36 -1.481 -1.138 8.171 1.00 34.21 H new ATOM 0 HB3 GLU A 36 -1.931 0.483 7.681 1.00 34.21 H new ATOM 0 HG2 GLU A 36 -4.311 -0.037 8.037 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -3.910 -1.694 8.445 1.00 1.31 H new ATOM 604 N CYS A 37 -1.498 -3.303 6.301 1.00 5.03 N ATOM 605 CA CYS A 37 -1.527 -4.772 6.235 1.00 4.53 C ATOM 606 C CYS A 37 -0.352 -5.388 7.019 1.00 44.53 C ATOM 607 O CYS A 37 0.534 -4.674 7.495 1.00 1.15 O ATOM 608 CB CYS A 37 -1.471 -5.235 4.774 1.00 20.44 C ATOM 609 SG CYS A 37 0.019 -4.711 3.890 1.00 33.41 S ATOM 0 H CYS A 37 -0.569 -2.916 6.464 1.00 5.03 H new ATOM 0 HA CYS A 37 -2.458 -5.110 6.689 1.00 4.53 H new ATOM 0 HB2 CYS A 37 -1.533 -6.323 4.746 1.00 20.44 H new ATOM 0 HB3 CYS A 37 -2.346 -4.852 4.249 1.00 20.44 H new ATOM 0 HG CYS A 37 -0.024 -5.151 2.668 1.00 33.41 H new ATOM 615 N GLN A 38 -0.346 -6.719 7.148 1.00 34.41 N ATOM 616 CA GLN A 38 0.726 -7.431 7.865 1.00 34.30 C ATOM 617 C GLN A 38 1.506 -8.366 6.921 1.00 41.00 C ATOM 618 O GLN A 38 0.930 -9.273 6.320 1.00 44.55 O ATOM 619 CB GLN A 38 0.141 -8.248 9.029 1.00 63.41 C ATOM 620 CG GLN A 38 -0.518 -7.407 10.121 1.00 31.33 C ATOM 621 CD GLN A 38 0.460 -6.532 10.894 1.00 73.22 C ATOM 622 OE1 GLN A 38 0.114 -5.446 11.347 1.00 35.40 O ATOM 623 NE2 GLN A 38 1.679 -7.005 11.078 1.00 11.41 N ATOM 0 H GLN A 38 -1.070 -7.328 6.767 1.00 34.41 H new ATOM 0 HA GLN A 38 1.414 -6.682 8.257 1.00 34.30 H new ATOM 0 HB2 GLN A 38 -0.595 -8.948 8.632 1.00 63.41 H new ATOM 0 HB3 GLN A 38 0.938 -8.843 9.476 1.00 63.41 H new ATOM 0 HG2 GLN A 38 -1.280 -6.772 9.668 1.00 31.33 H new ATOM 0 HG3 GLN A 38 -1.029 -8.070 10.819 1.00 31.33 H new ATOM 0 HE21 GLN A 38 1.938 -7.912 10.689 1.00 11.41 H new ATOM 0 HE22 GLN A 38 2.361 -6.464 11.609 1.00 11.41 H new ATOM 632 N ILE A 39 2.816 -8.144 6.799 1.00 73.34 N ATOM 633 CA ILE A 39 3.684 -8.982 5.961 1.00 52.33 C ATOM 634 C ILE A 39 4.825 -9.603 6.789 1.00 72.54 C ATOM 635 O ILE A 39 5.643 -8.889 7.363 1.00 5.05 O ATOM 636 CB ILE A 39 4.306 -8.166 4.796 1.00 22.22 C ATOM 637 CG1 ILE A 39 3.206 -7.505 3.949 1.00 42.33 C ATOM 638 CG2 ILE A 39 5.188 -9.059 3.922 1.00 2.12 C ATOM 639 CD1 ILE A 39 3.735 -6.632 2.829 1.00 12.11 C ATOM 0 H ILE A 39 3.305 -7.385 7.273 1.00 73.34 H new ATOM 0 HA ILE A 39 3.055 -9.773 5.553 1.00 52.33 H new ATOM 0 HB ILE A 39 4.929 -7.381 5.225 1.00 22.22 H new ATOM 0 HG12 ILE A 39 2.573 -8.283 3.522 1.00 42.33 H new ATOM 0 HG13 ILE A 39 2.574 -6.901 4.600 1.00 42.33 H new ATOM 0 HG21 ILE A 39 5.614 -8.468 3.111 1.00 2.12 H new ATOM 0 HG22 ILE A 39 5.992 -9.479 4.526 1.00 2.12 H new ATOM 0 HG23 ILE A 39 4.587 -9.867 3.505 1.00 2.12 H new ATOM 0 HD11 ILE A 39 2.899 -6.202 2.277 1.00 12.11 H new ATOM 0 HD12 ILE A 39 4.344 -5.831 3.249 1.00 12.11 H new ATOM 0 HD13 ILE A 39 4.343 -7.235 2.154 1.00 12.11 H new ATOM 651 N SER A 40 4.881 -10.930 6.841 1.00 50.25 N ATOM 652 CA SER A 40 5.938 -11.630 7.594 1.00 23.02 C ATOM 653 C SER A 40 7.130 -11.999 6.697 1.00 3.12 C ATOM 654 O SER A 40 7.050 -12.943 5.909 1.00 2.03 O ATOM 655 CB SER A 40 5.372 -12.902 8.240 1.00 53.42 C ATOM 656 OG SER A 40 6.383 -13.649 8.897 1.00 55.21 O ATOM 0 H SER A 40 4.215 -11.547 6.376 1.00 50.25 H new ATOM 0 HA SER A 40 6.294 -10.948 8.367 1.00 23.02 H new ATOM 0 HB2 SER A 40 4.595 -12.632 8.955 1.00 53.42 H new ATOM 0 HB3 SER A 40 4.901 -13.520 7.476 1.00 53.42 H new ATOM 0 HG SER A 40 5.988 -14.451 9.298 1.00 55.21 H new ATOM 662 N ALA A 41 8.219 -11.232 6.793 1.00 31.20 N ATOM 663 CA ALA A 41 9.462 -11.532 6.059 1.00 30.41 C ATOM 664 C ALA A 41 10.702 -11.422 6.959 1.00 50.02 C ATOM 665 O ALA A 41 10.683 -10.708 7.962 1.00 13.52 O ATOM 666 CB ALA A 41 9.605 -10.604 4.864 1.00 53.43 C ATOM 0 H ALA A 41 8.270 -10.394 7.373 1.00 31.20 H new ATOM 0 HA ALA A 41 9.394 -12.563 5.713 1.00 30.41 H new ATOM 0 HB1 ALA A 41 10.527 -10.836 4.331 1.00 53.43 H new ATOM 0 HB2 ALA A 41 8.755 -10.739 4.195 1.00 53.43 H new ATOM 0 HB3 ALA A 41 9.636 -9.570 5.208 1.00 53.43 H new ATOM 672 N ILE A 42 11.782 -12.113 6.590 1.00 61.21 N ATOM 673 CA ILE A 42 13.059 -12.011 7.317 1.00 53.24 C ATOM 674 C ILE A 42 14.251 -12.004 6.340 1.00 13.11 C ATOM 675 O ILE A 42 14.571 -13.029 5.733 1.00 20.34 O ATOM 676 CB ILE A 42 13.247 -13.171 8.336 1.00 35.11 C ATOM 677 CG1 ILE A 42 12.102 -13.185 9.368 1.00 54.24 C ATOM 678 CG2 ILE A 42 14.602 -13.062 9.042 1.00 33.04 C ATOM 679 CD1 ILE A 42 12.205 -14.305 10.388 1.00 52.11 C ATOM 0 H ILE A 42 11.803 -12.750 5.794 1.00 61.21 H new ATOM 0 HA ILE A 42 13.027 -11.070 7.866 1.00 53.24 H new ATOM 0 HB ILE A 42 13.223 -14.110 7.783 1.00 35.11 H new ATOM 0 HG12 ILE A 42 12.087 -12.230 9.893 1.00 54.24 H new ATOM 0 HG13 ILE A 42 11.152 -13.274 8.841 1.00 54.24 H new ATOM 0 HG21 ILE A 42 14.711 -13.884 9.750 1.00 33.04 H new ATOM 0 HG22 ILE A 42 15.402 -13.111 8.303 1.00 33.04 H new ATOM 0 HG23 ILE A 42 14.659 -12.113 9.576 1.00 33.04 H new ATOM 0 HD11 ILE A 42 11.364 -14.247 11.078 1.00 52.11 H new ATOM 0 HD12 ILE A 42 12.188 -15.267 9.875 1.00 52.11 H new ATOM 0 HD13 ILE A 42 13.138 -14.207 10.944 1.00 52.11 H new ATOM 691 N PRO A 43 14.918 -10.844 6.146 1.00 61.52 N ATOM 692 CA PRO A 43 14.531 -9.556 6.763 1.00 43.33 C ATOM 693 C PRO A 43 13.356 -8.864 6.030 1.00 52.33 C ATOM 694 O PRO A 43 12.939 -9.312 4.960 1.00 42.10 O ATOM 695 CB PRO A 43 15.818 -8.734 6.627 1.00 1.31 C ATOM 696 CG PRO A 43 16.444 -9.235 5.369 1.00 41.03 C ATOM 697 CD PRO A 43 16.131 -10.709 5.310 1.00 50.23 C ATOM 0 HA PRO A 43 14.174 -9.674 7.786 1.00 43.33 H new ATOM 0 HB2 PRO A 43 15.604 -7.667 6.567 1.00 1.31 H new ATOM 0 HB3 PRO A 43 16.476 -8.880 7.484 1.00 1.31 H new ATOM 0 HG2 PRO A 43 16.042 -8.715 4.499 1.00 41.03 H new ATOM 0 HG3 PRO A 43 17.521 -9.064 5.373 1.00 41.03 H new ATOM 0 HD2 PRO A 43 15.951 -11.039 4.287 1.00 50.23 H new ATOM 0 HD3 PRO A 43 16.954 -11.309 5.699 1.00 50.23 H new ATOM 705 N PRO A 44 12.793 -7.771 6.604 1.00 31.41 N ATOM 706 CA PRO A 44 11.713 -6.997 5.956 1.00 43.54 C ATOM 707 C PRO A 44 11.994 -6.697 4.465 1.00 24.45 C ATOM 708 O PRO A 44 13.112 -6.325 4.096 1.00 74.21 O ATOM 709 CB PRO A 44 11.683 -5.703 6.777 1.00 62.51 C ATOM 710 CG PRO A 44 12.116 -6.124 8.141 1.00 72.55 C ATOM 711 CD PRO A 44 13.138 -7.219 7.933 1.00 61.31 C ATOM 0 HA PRO A 44 10.769 -7.541 5.945 1.00 43.54 H new ATOM 0 HB2 PRO A 44 12.354 -4.952 6.361 1.00 62.51 H new ATOM 0 HB3 PRO A 44 10.685 -5.265 6.794 1.00 62.51 H new ATOM 0 HG2 PRO A 44 12.547 -5.287 8.690 1.00 72.55 H new ATOM 0 HG3 PRO A 44 11.270 -6.486 8.725 1.00 72.55 H new ATOM 0 HD2 PRO A 44 14.155 -6.827 7.952 1.00 61.31 H new ATOM 0 HD3 PRO A 44 13.075 -7.979 8.711 1.00 61.31 H new ATOM 719 N PRO A 45 10.976 -6.847 3.587 1.00 64.23 N ATOM 720 CA PRO A 45 11.152 -6.723 2.135 1.00 42.13 C ATOM 721 C PRO A 45 10.991 -5.286 1.613 1.00 31.15 C ATOM 722 O PRO A 45 10.568 -4.385 2.341 1.00 13.30 O ATOM 723 CB PRO A 45 10.024 -7.613 1.609 1.00 53.14 C ATOM 724 CG PRO A 45 8.916 -7.424 2.597 1.00 70.53 C ATOM 725 CD PRO A 45 9.569 -7.133 3.932 1.00 44.03 C ATOM 0 HA PRO A 45 12.156 -7.003 1.816 1.00 42.13 H new ATOM 0 HB2 PRO A 45 9.718 -7.317 0.606 1.00 53.14 H new ATOM 0 HB3 PRO A 45 10.334 -8.657 1.553 1.00 53.14 H new ATOM 0 HG2 PRO A 45 8.266 -6.602 2.297 1.00 70.53 H new ATOM 0 HG3 PRO A 45 8.294 -8.317 2.657 1.00 70.53 H new ATOM 0 HD2 PRO A 45 9.100 -6.284 4.429 1.00 44.03 H new ATOM 0 HD3 PRO A 45 9.489 -7.983 4.609 1.00 44.03 H new ATOM 733 N LYS A 46 11.333 -5.083 0.341 1.00 11.41 N ATOM 734 CA LYS A 46 11.137 -3.790 -0.319 1.00 30.41 C ATOM 735 C LYS A 46 9.702 -3.686 -0.862 1.00 32.43 C ATOM 736 O LYS A 46 9.259 -4.544 -1.630 1.00 72.35 O ATOM 737 CB LYS A 46 12.149 -3.616 -1.459 1.00 42.01 C ATOM 738 CG LYS A 46 12.189 -2.206 -2.040 1.00 55.35 C ATOM 739 CD LYS A 46 12.700 -1.189 -1.021 1.00 30.03 C ATOM 740 CE LYS A 46 12.766 0.217 -1.606 1.00 43.03 C ATOM 741 NZ LYS A 46 13.343 1.192 -0.644 1.00 61.31 N ATOM 0 H LYS A 46 11.748 -5.799 -0.255 1.00 11.41 H new ATOM 0 HA LYS A 46 11.295 -2.996 0.411 1.00 30.41 H new ATOM 0 HB2 LYS A 46 13.142 -3.876 -1.093 1.00 42.01 H new ATOM 0 HB3 LYS A 46 11.909 -4.320 -2.256 1.00 42.01 H new ATOM 0 HG2 LYS A 46 12.832 -2.193 -2.920 1.00 55.35 H new ATOM 0 HG3 LYS A 46 11.190 -1.920 -2.370 1.00 55.35 H new ATOM 0 HD2 LYS A 46 12.046 -1.189 -0.149 1.00 30.03 H new ATOM 0 HD3 LYS A 46 13.691 -1.486 -0.677 1.00 30.03 H new ATOM 0 HE2 LYS A 46 13.368 0.204 -2.515 1.00 43.03 H new ATOM 0 HE3 LYS A 46 11.764 0.539 -1.892 1.00 43.03 H new ATOM 0 HZ1 LYS A 46 13.370 2.136 -1.080 1.00 61.31 H new ATOM 0 HZ2 LYS A 46 12.755 1.224 0.213 1.00 61.31 H new ATOM 0 HZ3 LYS A 46 14.308 0.900 -0.391 1.00 61.31 H new ATOM 755 N LEU A 47 8.980 -2.643 -0.456 1.00 4.22 N ATOM 756 CA LEU A 47 7.566 -2.483 -0.823 1.00 45.13 C ATOM 757 C LEU A 47 7.379 -1.597 -2.067 1.00 5.04 C ATOM 758 O LEU A 47 7.997 -0.541 -2.193 1.00 63.44 O ATOM 759 CB LEU A 47 6.792 -1.873 0.353 1.00 22.42 C ATOM 760 CG LEU A 47 6.927 -2.613 1.694 1.00 11.43 C ATOM 761 CD1 LEU A 47 6.182 -1.862 2.786 1.00 24.53 C ATOM 762 CD2 LEU A 47 6.418 -4.046 1.578 1.00 2.43 C ATOM 0 H LEU A 47 9.348 -1.892 0.129 1.00 4.22 H new ATOM 0 HA LEU A 47 7.180 -3.474 -1.061 1.00 45.13 H new ATOM 0 HB2 LEU A 47 7.127 -0.845 0.491 1.00 22.42 H new ATOM 0 HB3 LEU A 47 5.736 -1.831 0.087 1.00 22.42 H new ATOM 0 HG LEU A 47 7.983 -2.654 1.960 1.00 11.43 H new ATOM 0 HD11 LEU A 47 6.285 -2.396 3.730 1.00 24.53 H new ATOM 0 HD12 LEU A 47 6.599 -0.860 2.888 1.00 24.53 H new ATOM 0 HD13 LEU A 47 5.127 -1.790 2.523 1.00 24.53 H new ATOM 0 HD21 LEU A 47 6.524 -4.549 2.539 1.00 2.43 H new ATOM 0 HD22 LEU A 47 5.368 -4.037 1.287 1.00 2.43 H new ATOM 0 HD23 LEU A 47 6.998 -4.578 0.824 1.00 2.43 H new ATOM 774 N PHE A 48 6.512 -2.037 -2.979 1.00 24.52 N ATOM 775 CA PHE A 48 6.155 -1.250 -4.170 1.00 72.22 C ATOM 776 C PHE A 48 4.631 -1.161 -4.338 1.00 52.11 C ATOM 777 O PHE A 48 3.937 -2.179 -4.314 1.00 71.33 O ATOM 778 CB PHE A 48 6.774 -1.871 -5.431 1.00 32.34 C ATOM 779 CG PHE A 48 8.283 -1.886 -5.424 1.00 71.43 C ATOM 780 CD1 PHE A 48 9.005 -0.752 -5.774 1.00 32.34 C ATOM 781 CD2 PHE A 48 8.981 -3.034 -5.067 1.00 61.22 C ATOM 782 CE1 PHE A 48 10.386 -0.763 -5.765 1.00 14.12 C ATOM 783 CE2 PHE A 48 10.361 -3.046 -5.058 1.00 60.13 C ATOM 784 CZ PHE A 48 11.066 -1.910 -5.409 1.00 51.25 C ATOM 0 H PHE A 48 6.039 -2.939 -2.919 1.00 24.52 H new ATOM 0 HA PHE A 48 6.551 -0.244 -4.032 1.00 72.22 H new ATOM 0 HB2 PHE A 48 6.410 -2.893 -5.538 1.00 32.34 H new ATOM 0 HB3 PHE A 48 6.429 -1.317 -6.304 1.00 32.34 H new ATOM 0 HD1 PHE A 48 8.480 0.149 -6.056 1.00 32.34 H new ATOM 0 HD2 PHE A 48 8.437 -3.926 -4.794 1.00 61.22 H new ATOM 0 HE1 PHE A 48 10.934 0.127 -6.037 1.00 14.12 H new ATOM 0 HE2 PHE A 48 10.891 -3.944 -4.776 1.00 60.13 H new ATOM 0 HZ PHE A 48 12.146 -1.920 -5.405 1.00 51.25 H new ATOM 794 N TRP A 49 4.114 0.058 -4.508 1.00 33.02 N ATOM 795 CA TRP A 49 2.676 0.271 -4.733 1.00 2.23 C ATOM 796 C TRP A 49 2.408 0.842 -6.135 1.00 32.05 C ATOM 797 O TRP A 49 3.074 1.781 -6.580 1.00 63.11 O ATOM 798 CB TRP A 49 2.093 1.212 -3.670 1.00 3.35 C ATOM 799 CG TRP A 49 2.053 0.622 -2.291 1.00 1.02 C ATOM 800 CD1 TRP A 49 3.100 0.477 -1.425 1.00 61.34 C ATOM 801 CD2 TRP A 49 0.899 0.106 -1.615 1.00 44.03 C ATOM 802 NE1 TRP A 49 2.669 -0.101 -0.257 1.00 62.25 N ATOM 803 CE2 TRP A 49 1.324 -0.338 -0.348 1.00 13.04 C ATOM 804 CE3 TRP A 49 -0.450 -0.029 -1.960 1.00 15.31 C ATOM 805 CZ2 TRP A 49 0.449 -0.898 0.574 1.00 41.13 C ATOM 806 CZ3 TRP A 49 -1.319 -0.588 -1.041 1.00 54.03 C ATOM 807 CH2 TRP A 49 -0.865 -1.019 0.213 1.00 54.04 C ATOM 0 H TRP A 49 4.667 0.915 -4.495 1.00 33.02 H new ATOM 0 HA TRP A 49 2.187 -0.700 -4.656 1.00 2.23 H new ATOM 0 HB2 TRP A 49 2.684 2.127 -3.646 1.00 3.35 H new ATOM 0 HB3 TRP A 49 1.082 1.493 -3.963 1.00 3.35 H new ATOM 0 HD1 TRP A 49 4.118 0.774 -1.630 1.00 61.34 H new ATOM 0 HE1 TRP A 49 3.256 -0.319 0.548 1.00 62.25 H new ATOM 0 HE3 TRP A 49 -0.806 0.297 -2.926 1.00 15.31 H new ATOM 0 HZ2 TRP A 49 0.794 -1.227 1.543 1.00 41.13 H new ATOM 0 HZ3 TRP A 49 -2.364 -0.694 -1.293 1.00 54.03 H new ATOM 0 HH2 TRP A 49 -1.567 -1.455 0.908 1.00 54.04 H new ATOM 818 N LYS A 50 1.426 0.271 -6.825 1.00 33.23 N ATOM 819 CA LYS A 50 1.061 0.714 -8.173 1.00 71.23 C ATOM 820 C LYS A 50 -0.459 0.943 -8.280 1.00 4.32 C ATOM 821 O LYS A 50 -1.247 0.074 -7.929 1.00 73.14 O ATOM 822 CB LYS A 50 1.532 -0.341 -9.187 1.00 43.40 C ATOM 823 CG LYS A 50 1.236 -0.003 -10.644 1.00 50.12 C ATOM 824 CD LYS A 50 1.866 -1.019 -11.598 1.00 44.24 C ATOM 825 CE LYS A 50 1.374 -2.440 -11.334 1.00 60.53 C ATOM 826 NZ LYS A 50 2.030 -3.430 -12.230 1.00 61.42 N ATOM 0 H LYS A 50 0.864 -0.504 -6.473 1.00 33.23 H new ATOM 0 HA LYS A 50 1.549 1.665 -8.389 1.00 71.23 H new ATOM 0 HB2 LYS A 50 2.607 -0.481 -9.072 1.00 43.40 H new ATOM 0 HB3 LYS A 50 1.059 -1.293 -8.946 1.00 43.40 H new ATOM 0 HG2 LYS A 50 0.158 0.023 -10.800 1.00 50.12 H new ATOM 0 HG3 LYS A 50 1.615 0.993 -10.871 1.00 50.12 H new ATOM 0 HD2 LYS A 50 1.635 -0.741 -12.626 1.00 44.24 H new ATOM 0 HD3 LYS A 50 2.951 -0.987 -11.496 1.00 44.24 H new ATOM 0 HE2 LYS A 50 1.570 -2.705 -10.295 1.00 60.53 H new ATOM 0 HE3 LYS A 50 0.294 -2.482 -11.475 1.00 60.53 H new ATOM 0 HZ1 LYS A 50 1.669 -4.382 -12.019 1.00 61.42 H new ATOM 0 HZ2 LYS A 50 1.822 -3.193 -13.221 1.00 61.42 H new ATOM 0 HZ3 LYS A 50 3.059 -3.408 -12.077 1.00 61.42 H new ATOM 840 N ARG A 51 -0.860 2.107 -8.785 1.00 3.24 N ATOM 841 CA ARG A 51 -2.280 2.486 -8.855 1.00 31.11 C ATOM 842 C ARG A 51 -2.805 2.424 -10.294 1.00 12.53 C ATOM 843 O ARG A 51 -2.382 3.206 -11.141 1.00 3.12 O ATOM 844 CB ARG A 51 -2.454 3.920 -8.335 1.00 10.52 C ATOM 845 CG ARG A 51 -3.854 4.499 -8.550 1.00 50.32 C ATOM 846 CD ARG A 51 -3.865 6.018 -8.384 1.00 12.15 C ATOM 847 NE ARG A 51 -2.899 6.668 -9.273 1.00 74.50 N ATOM 848 CZ ARG A 51 -3.058 6.805 -10.565 1.00 53.32 C ATOM 849 NH1 ARG A 51 -4.146 6.412 -11.147 1.00 24.31 N ATOM 850 NH2 ARG A 51 -2.133 7.353 -11.277 1.00 11.11 N ATOM 0 H ARG A 51 -0.222 2.812 -9.155 1.00 3.24 H new ATOM 0 HA ARG A 51 -2.844 1.782 -8.243 1.00 31.11 H new ATOM 0 HB2 ARG A 51 -2.225 3.939 -7.270 1.00 10.52 H new ATOM 0 HB3 ARG A 51 -1.727 4.564 -8.829 1.00 10.52 H new ATOM 0 HG2 ARG A 51 -4.207 4.239 -9.548 1.00 50.32 H new ATOM 0 HG3 ARG A 51 -4.548 4.050 -7.839 1.00 50.32 H new ATOM 0 HD2 ARG A 51 -4.865 6.399 -8.592 1.00 12.15 H new ATOM 0 HD3 ARG A 51 -3.636 6.273 -7.349 1.00 12.15 H new ATOM 0 HE ARG A 51 -2.045 7.039 -8.857 1.00 74.50 H new ATOM 0 HH11 ARG A 51 -4.894 5.989 -10.598 1.00 24.31 H new ATOM 0 HH12 ARG A 51 -4.255 6.526 -12.155 1.00 24.31 H new ATOM 0 HH21 ARG A 51 -1.275 7.681 -10.834 1.00 11.11 H new ATOM 0 HH22 ARG A 51 -2.259 7.459 -12.284 1.00 11.11 H new ATOM 864 N ASN A 52 -3.741 1.512 -10.560 1.00 33.31 N ATOM 865 CA ASN A 52 -4.364 1.400 -11.887 1.00 35.51 C ATOM 866 C ASN A 52 -3.291 1.223 -12.982 1.00 71.33 C ATOM 867 O ASN A 52 -3.434 1.715 -14.101 1.00 2.12 O ATOM 868 CB ASN A 52 -5.232 2.645 -12.145 1.00 33.12 C ATOM 869 CG ASN A 52 -6.161 2.489 -13.337 1.00 71.45 C ATOM 870 OD1 ASN A 52 -5.842 2.886 -14.452 1.00 2.51 O ATOM 871 ND2 ASN A 52 -7.313 1.892 -13.117 1.00 2.22 N ATOM 0 H ASN A 52 -4.087 0.838 -9.877 1.00 33.31 H new ATOM 0 HA ASN A 52 -5.001 0.516 -11.916 1.00 35.51 H new ATOM 0 HB2 ASN A 52 -5.825 2.857 -11.255 1.00 33.12 H new ATOM 0 HB3 ASN A 52 -4.583 3.505 -12.308 1.00 33.12 H new ATOM 0 HD21 ASN A 52 -7.968 1.749 -13.886 1.00 2.22 H new ATOM 0 HD22 ASN A 52 -7.551 1.572 -12.178 1.00 2.22 H new ATOM 878 N ASN A 53 -2.225 0.499 -12.622 1.00 10.11 N ATOM 879 CA ASN A 53 -1.071 0.235 -13.503 1.00 1.43 C ATOM 880 C ASN A 53 -0.093 1.431 -13.567 1.00 4.32 C ATOM 881 O ASN A 53 1.001 1.322 -14.127 1.00 32.20 O ATOM 882 CB ASN A 53 -1.527 -0.184 -14.908 1.00 10.20 C ATOM 883 CG ASN A 53 -0.417 -0.848 -15.699 1.00 34.55 C ATOM 884 OD1 ASN A 53 -0.201 -2.049 -15.588 1.00 55.14 O ATOM 885 ND2 ASN A 53 0.284 -0.083 -16.507 1.00 15.43 N ATOM 0 H ASN A 53 -2.134 0.073 -11.700 1.00 10.11 H new ATOM 0 HA ASN A 53 -0.523 -0.598 -13.062 1.00 1.43 H new ATOM 0 HB2 ASN A 53 -2.371 -0.869 -14.825 1.00 10.20 H new ATOM 0 HB3 ASN A 53 -1.881 0.693 -15.449 1.00 10.20 H new ATOM 0 HD21 ASN A 53 1.035 -0.486 -17.067 1.00 15.43 H new ATOM 0 HD22 ASN A 53 0.076 0.913 -16.574 1.00 15.43 H new ATOM 892 N GLU A 54 -0.480 2.562 -12.983 1.00 43.04 N ATOM 893 CA GLU A 54 0.400 3.737 -12.874 1.00 14.42 C ATOM 894 C GLU A 54 1.117 3.744 -11.508 1.00 32.12 C ATOM 895 O GLU A 54 0.466 3.768 -10.465 1.00 14.10 O ATOM 896 CB GLU A 54 -0.422 5.027 -13.031 1.00 34.21 C ATOM 897 CG GLU A 54 -1.286 5.064 -14.289 1.00 63.23 C ATOM 898 CD GLU A 54 -2.133 6.325 -14.383 1.00 63.03 C ATOM 899 OE1 GLU A 54 -3.221 6.375 -13.762 1.00 4.13 O ATOM 900 OE2 GLU A 54 -1.722 7.280 -15.073 1.00 13.33 O ATOM 0 H GLU A 54 -1.404 2.696 -12.573 1.00 43.04 H new ATOM 0 HA GLU A 54 1.146 3.686 -13.667 1.00 14.42 H new ATOM 0 HB2 GLU A 54 -1.064 5.145 -12.158 1.00 34.21 H new ATOM 0 HB3 GLU A 54 0.257 5.879 -13.044 1.00 34.21 H new ATOM 0 HG2 GLU A 54 -0.644 4.996 -15.168 1.00 63.23 H new ATOM 0 HG3 GLU A 54 -1.939 4.191 -14.302 1.00 63.23 H new ATOM 907 N MET A 55 2.450 3.730 -11.512 1.00 72.24 N ATOM 908 CA MET A 55 3.230 3.642 -10.264 1.00 12.24 C ATOM 909 C MET A 55 2.986 4.836 -9.318 1.00 32.31 C ATOM 910 O MET A 55 2.846 5.984 -9.751 1.00 45.10 O ATOM 911 CB MET A 55 4.730 3.511 -10.569 1.00 73.03 C ATOM 912 CG MET A 55 5.613 3.597 -9.328 1.00 72.11 C ATOM 913 SD MET A 55 7.284 2.988 -9.608 1.00 44.04 S ATOM 914 CE MET A 55 6.958 1.245 -9.859 1.00 21.12 C ATOM 0 H MET A 55 3.016 3.778 -12.359 1.00 72.24 H new ATOM 0 HA MET A 55 2.884 2.747 -9.747 1.00 12.24 H new ATOM 0 HB2 MET A 55 4.909 2.558 -11.068 1.00 73.03 H new ATOM 0 HB3 MET A 55 5.021 4.296 -11.267 1.00 73.03 H new ATOM 0 HG2 MET A 55 5.661 4.634 -8.995 1.00 72.11 H new ATOM 0 HG3 MET A 55 5.154 3.024 -8.522 1.00 72.11 H new ATOM 0 HE1 MET A 55 7.848 0.668 -9.607 1.00 21.12 H new ATOM 0 HE2 MET A 55 6.131 0.934 -9.221 1.00 21.12 H new ATOM 0 HE3 MET A 55 6.696 1.070 -10.903 1.00 21.12 H new ATOM 924 N VAL A 56 2.949 4.546 -8.014 1.00 25.10 N ATOM 925 CA VAL A 56 2.733 5.569 -6.987 1.00 0.33 C ATOM 926 C VAL A 56 4.066 6.191 -6.530 1.00 43.00 C ATOM 927 O VAL A 56 5.032 5.477 -6.245 1.00 21.40 O ATOM 928 CB VAL A 56 2.007 4.968 -5.758 1.00 24.41 C ATOM 929 CG1 VAL A 56 1.617 6.058 -4.763 1.00 34.02 C ATOM 930 CG2 VAL A 56 0.788 4.157 -6.196 1.00 12.34 C ATOM 0 H VAL A 56 3.067 3.603 -7.643 1.00 25.10 H new ATOM 0 HA VAL A 56 2.112 6.347 -7.431 1.00 0.33 H new ATOM 0 HB VAL A 56 2.697 4.293 -5.252 1.00 24.41 H new ATOM 0 HG11 VAL A 56 1.109 5.607 -3.910 1.00 34.02 H new ATOM 0 HG12 VAL A 56 2.513 6.575 -4.420 1.00 34.02 H new ATOM 0 HG13 VAL A 56 0.950 6.771 -5.247 1.00 34.02 H new ATOM 0 HG21 VAL A 56 0.292 3.743 -5.318 1.00 12.34 H new ATOM 0 HG22 VAL A 56 0.095 4.804 -6.734 1.00 12.34 H new ATOM 0 HG23 VAL A 56 1.107 3.345 -6.849 1.00 12.34 H new ATOM 940 N GLN A 57 4.110 7.519 -6.462 1.00 13.43 N ATOM 941 CA GLN A 57 5.318 8.246 -6.049 1.00 11.34 C ATOM 942 C GLN A 57 5.152 8.840 -4.638 1.00 22.44 C ATOM 943 O GLN A 57 4.274 9.668 -4.401 1.00 62.30 O ATOM 944 CB GLN A 57 5.622 9.356 -7.066 1.00 31.45 C ATOM 945 CG GLN A 57 5.913 8.831 -8.471 1.00 43.03 C ATOM 946 CD GLN A 57 6.134 9.942 -9.484 1.00 2.20 C ATOM 947 OE1 GLN A 57 5.200 10.404 -10.132 1.00 72.43 O ATOM 948 NE2 GLN A 57 7.369 10.371 -9.634 1.00 11.15 N ATOM 0 H GLN A 57 3.319 8.122 -6.689 1.00 13.43 H new ATOM 0 HA GLN A 57 6.153 7.546 -6.018 1.00 11.34 H new ATOM 0 HB2 GLN A 57 4.774 10.040 -7.110 1.00 31.45 H new ATOM 0 HB3 GLN A 57 6.479 9.933 -6.717 1.00 31.45 H new ATOM 0 HG2 GLN A 57 6.797 8.194 -8.439 1.00 43.03 H new ATOM 0 HG3 GLN A 57 5.082 8.207 -8.799 1.00 43.03 H new ATOM 0 HE21 GLN A 57 8.121 9.964 -9.078 1.00 11.15 H new ATOM 0 HE22 GLN A 57 7.574 11.111 -10.306 1.00 11.15 H new ATOM 957 N PHE A 58 6.012 8.423 -3.707 1.00 4.43 N ATOM 958 CA PHE A 58 5.894 8.828 -2.295 1.00 51.44 C ATOM 959 C PHE A 58 6.775 10.050 -1.969 1.00 73.02 C ATOM 960 O PHE A 58 6.982 10.388 -0.803 1.00 72.21 O ATOM 961 CB PHE A 58 6.281 7.651 -1.386 1.00 43.14 C ATOM 962 CG PHE A 58 5.647 6.342 -1.792 1.00 22.31 C ATOM 963 CD1 PHE A 58 4.317 6.078 -1.502 1.00 3.15 C ATOM 964 CD2 PHE A 58 6.386 5.377 -2.468 1.00 4.22 C ATOM 965 CE1 PHE A 58 3.736 4.881 -1.881 1.00 73.02 C ATOM 966 CE2 PHE A 58 5.810 4.181 -2.847 1.00 2.12 C ATOM 967 CZ PHE A 58 4.484 3.931 -2.552 1.00 34.01 C ATOM 0 H PHE A 58 6.800 7.805 -3.900 1.00 4.43 H new ATOM 0 HA PHE A 58 4.857 9.113 -2.117 1.00 51.44 H new ATOM 0 HB2 PHE A 58 7.365 7.538 -1.393 1.00 43.14 H new ATOM 0 HB3 PHE A 58 5.991 7.883 -0.361 1.00 43.14 H new ATOM 0 HD1 PHE A 58 3.729 6.814 -0.975 1.00 3.15 H new ATOM 0 HD2 PHE A 58 7.424 5.566 -2.699 1.00 4.22 H new ATOM 0 HE1 PHE A 58 2.698 4.688 -1.653 1.00 73.02 H new ATOM 0 HE2 PHE A 58 6.395 3.442 -3.373 1.00 2.12 H new ATOM 0 HZ PHE A 58 4.032 2.995 -2.845 1.00 34.01 H new ATOM 977 N ASN A 59 7.271 10.724 -3.006 1.00 52.52 N ATOM 978 CA ASN A 59 8.161 11.884 -2.835 1.00 70.33 C ATOM 979 C ASN A 59 7.379 13.192 -2.596 1.00 41.34 C ATOM 980 O ASN A 59 7.902 14.287 -2.813 1.00 44.45 O ATOM 981 CB ASN A 59 9.071 12.027 -4.063 1.00 13.22 C ATOM 982 CG ASN A 59 8.291 12.016 -5.364 1.00 50.02 C ATOM 983 OD1 ASN A 59 8.075 10.967 -5.955 1.00 34.32 O ATOM 984 ND2 ASN A 59 7.857 13.173 -5.818 1.00 12.34 N ATOM 0 H ASN A 59 7.074 10.490 -3.979 1.00 52.52 H new ATOM 0 HA ASN A 59 8.767 11.705 -1.946 1.00 70.33 H new ATOM 0 HB2 ASN A 59 9.635 12.957 -3.988 1.00 13.22 H new ATOM 0 HB3 ASN A 59 9.797 11.214 -4.071 1.00 13.22 H new ATOM 0 HD21 ASN A 59 7.324 13.212 -6.687 1.00 12.34 H new ATOM 0 HD22 ASN A 59 8.054 14.030 -5.301 1.00 12.34 H new ATOM 991 N THR A 60 6.143 13.076 -2.120 1.00 60.31 N ATOM 992 CA THR A 60 5.307 14.250 -1.818 1.00 14.21 C ATOM 993 C THR A 60 4.800 14.223 -0.370 1.00 5.35 C ATOM 994 O THR A 60 4.848 13.193 0.301 1.00 1.44 O ATOM 995 CB THR A 60 4.094 14.367 -2.778 1.00 43.21 C ATOM 996 OG1 THR A 60 3.127 15.295 -2.253 1.00 5.54 O ATOM 997 CG2 THR A 60 3.434 13.011 -3.005 1.00 61.00 C ATOM 0 H THR A 60 5.690 12.181 -1.932 1.00 60.31 H new ATOM 0 HA THR A 60 5.948 15.120 -1.959 1.00 14.21 H new ATOM 0 HB THR A 60 4.464 14.734 -3.735 1.00 43.21 H new ATOM 0 HG1 THR A 60 2.223 14.974 -2.453 1.00 5.54 H new ATOM 0 HG21 THR A 60 2.588 13.127 -3.682 1.00 61.00 H new ATOM 0 HG22 THR A 60 4.157 12.323 -3.443 1.00 61.00 H new ATOM 0 HG23 THR A 60 3.085 12.612 -2.053 1.00 61.00 H new ATOM 1005 N ASP A 61 4.318 15.366 0.103 1.00 11.31 N ATOM 1006 CA ASP A 61 3.802 15.494 1.469 1.00 52.50 C ATOM 1007 C ASP A 61 2.363 14.945 1.578 1.00 14.34 C ATOM 1008 O ASP A 61 1.846 14.729 2.679 1.00 65.33 O ATOM 1009 CB ASP A 61 3.857 16.967 1.895 1.00 42.43 C ATOM 1010 CG ASP A 61 3.460 17.171 3.343 1.00 14.22 C ATOM 1011 OD1 ASP A 61 4.134 16.610 4.233 1.00 43.12 O ATOM 1012 OD2 ASP A 61 2.479 17.900 3.601 1.00 21.54 O ATOM 0 H ASP A 61 4.272 16.227 -0.442 1.00 11.31 H new ATOM 0 HA ASP A 61 4.426 14.901 2.138 1.00 52.50 H new ATOM 0 HB2 ASP A 61 4.867 17.348 1.742 1.00 42.43 H new ATOM 0 HB3 ASP A 61 3.196 17.551 1.255 1.00 42.43 H new ATOM 1017 N ARG A 62 1.723 14.720 0.427 1.00 30.23 N ATOM 1018 CA ARG A 62 0.354 14.187 0.393 1.00 73.03 C ATOM 1019 C ARG A 62 0.339 12.649 0.339 1.00 35.12 C ATOM 1020 O ARG A 62 -0.606 12.014 0.806 1.00 73.50 O ATOM 1021 CB ARG A 62 -0.419 14.762 -0.802 1.00 12.24 C ATOM 1022 CG ARG A 62 -0.433 16.287 -0.841 1.00 22.11 C ATOM 1023 CD ARG A 62 -1.489 16.833 -1.799 1.00 43.21 C ATOM 1024 NE ARG A 62 -1.350 16.316 -3.163 1.00 35.43 N ATOM 1025 CZ ARG A 62 -1.307 17.067 -4.231 1.00 74.34 C ATOM 1026 NH1 ARG A 62 -1.248 18.356 -4.131 1.00 1.44 N ATOM 1027 NH2 ARG A 62 -1.287 16.524 -5.402 1.00 14.45 N ATOM 0 H ARG A 62 2.128 14.897 -0.492 1.00 30.23 H new ATOM 0 HA ARG A 62 -0.135 14.493 1.318 1.00 73.03 H new ATOM 0 HB2 ARG A 62 0.023 14.387 -1.725 1.00 12.24 H new ATOM 0 HB3 ARG A 62 -1.446 14.398 -0.770 1.00 12.24 H new ATOM 0 HG2 ARG A 62 -0.621 16.672 0.161 1.00 22.11 H new ATOM 0 HG3 ARG A 62 0.550 16.649 -1.142 1.00 22.11 H new ATOM 0 HD2 ARG A 62 -2.480 16.581 -1.420 1.00 43.21 H new ATOM 0 HD3 ARG A 62 -1.424 17.921 -1.821 1.00 43.21 H new ATOM 0 HE ARG A 62 -1.283 15.306 -3.286 1.00 35.43 H new ATOM 0 HH11 ARG A 62 -1.235 18.796 -3.211 1.00 1.44 H new ATOM 0 HH12 ARG A 62 -1.215 18.932 -4.972 1.00 1.44 H new ATOM 0 HH21 ARG A 62 -1.305 15.508 -5.494 1.00 14.45 H new ATOM 0 HH22 ARG A 62 -1.253 17.111 -6.236 1.00 14.45 H new ATOM 1041 N ILE A 63 1.389 12.058 -0.230 1.00 41.25 N ATOM 1042 CA ILE A 63 1.503 10.593 -0.341 1.00 62.10 C ATOM 1043 C ILE A 63 2.723 10.083 0.441 1.00 11.01 C ATOM 1044 O ILE A 63 3.844 10.548 0.231 1.00 43.02 O ATOM 1045 CB ILE A 63 1.625 10.137 -1.822 1.00 73.44 C ATOM 1046 CG1 ILE A 63 0.450 10.677 -2.659 1.00 41.54 C ATOM 1047 CG2 ILE A 63 1.700 8.611 -1.916 1.00 5.31 C ATOM 1048 CD1 ILE A 63 -0.912 10.208 -2.192 1.00 52.11 C ATOM 0 H ILE A 63 2.179 12.568 -0.625 1.00 41.25 H new ATOM 0 HA ILE A 63 0.591 10.170 0.081 1.00 62.10 H new ATOM 0 HB ILE A 63 2.549 10.549 -2.228 1.00 73.44 H new ATOM 0 HG12 ILE A 63 0.474 11.767 -2.637 1.00 41.54 H new ATOM 0 HG13 ILE A 63 0.589 10.376 -3.697 1.00 41.54 H new ATOM 0 HG21 ILE A 63 1.785 8.315 -2.961 1.00 5.31 H new ATOM 0 HG22 ILE A 63 2.571 8.255 -1.366 1.00 5.31 H new ATOM 0 HG23 ILE A 63 0.797 8.175 -1.488 1.00 5.31 H new ATOM 0 HD11 ILE A 63 -1.683 10.633 -2.834 1.00 52.11 H new ATOM 0 HD12 ILE A 63 -0.959 9.120 -2.241 1.00 52.11 H new ATOM 0 HD13 ILE A 63 -1.076 10.533 -1.164 1.00 52.11 H new ATOM 1060 N SER A 64 2.505 9.128 1.343 1.00 24.30 N ATOM 1061 CA SER A 64 3.591 8.602 2.186 1.00 52.12 C ATOM 1062 C SER A 64 3.431 7.103 2.460 1.00 30.10 C ATOM 1063 O SER A 64 2.319 6.579 2.481 1.00 73.15 O ATOM 1064 CB SER A 64 3.647 9.364 3.516 1.00 44.30 C ATOM 1065 OG SER A 64 3.907 10.747 3.308 1.00 63.15 O ATOM 0 H SER A 64 1.594 8.701 1.513 1.00 24.30 H new ATOM 0 HA SER A 64 4.523 8.746 1.639 1.00 52.12 H new ATOM 0 HB2 SER A 64 2.702 9.245 4.046 1.00 44.30 H new ATOM 0 HB3 SER A 64 4.424 8.937 4.150 1.00 44.30 H new ATOM 0 HG SER A 64 3.936 11.208 4.172 1.00 63.15 H new ATOM 1071 N LEU A 65 4.556 6.424 2.682 1.00 44.14 N ATOM 1072 CA LEU A 65 4.559 4.978 2.942 1.00 31.33 C ATOM 1073 C LEU A 65 5.620 4.597 3.984 1.00 51.44 C ATOM 1074 O LEU A 65 6.800 4.908 3.823 1.00 43.02 O ATOM 1075 CB LEU A 65 4.823 4.205 1.642 1.00 2.33 C ATOM 1076 CG LEU A 65 4.921 2.674 1.790 1.00 45.32 C ATOM 1077 CD1 LEU A 65 3.574 2.074 2.189 1.00 23.25 C ATOM 1078 CD2 LEU A 65 5.442 2.040 0.502 1.00 0.01 C ATOM 0 H LEU A 65 5.482 6.851 2.688 1.00 44.14 H new ATOM 0 HA LEU A 65 3.578 4.713 3.335 1.00 31.33 H new ATOM 0 HB2 LEU A 65 4.026 4.434 0.935 1.00 2.33 H new ATOM 0 HB3 LEU A 65 5.752 4.571 1.204 1.00 2.33 H new ATOM 0 HG LEU A 65 5.631 2.456 2.587 1.00 45.32 H new ATOM 0 HD11 LEU A 65 3.672 0.993 2.286 1.00 23.25 H new ATOM 0 HD12 LEU A 65 3.255 2.497 3.142 1.00 23.25 H new ATOM 0 HD13 LEU A 65 2.832 2.304 1.424 1.00 23.25 H new ATOM 0 HD21 LEU A 65 5.504 0.959 0.628 1.00 0.01 H new ATOM 0 HD22 LEU A 65 4.763 2.272 -0.318 1.00 0.01 H new ATOM 0 HD23 LEU A 65 6.432 2.436 0.276 1.00 0.01 H new ATOM 1090 N TYR A 66 5.198 3.911 5.043 1.00 50.11 N ATOM 1091 CA TYR A 66 6.134 3.416 6.058 1.00 52.03 C ATOM 1092 C TYR A 66 5.746 2.007 6.529 1.00 51.02 C ATOM 1093 O TYR A 66 4.590 1.594 6.411 1.00 44.22 O ATOM 1094 CB TYR A 66 6.215 4.384 7.250 1.00 71.43 C ATOM 1095 CG TYR A 66 4.963 4.458 8.107 1.00 4.43 C ATOM 1096 CD1 TYR A 66 3.883 5.255 7.740 1.00 44.44 C ATOM 1097 CD2 TYR A 66 4.870 3.740 9.296 1.00 54.33 C ATOM 1098 CE1 TYR A 66 2.753 5.335 8.533 1.00 41.31 C ATOM 1099 CE2 TYR A 66 3.745 3.817 10.092 1.00 42.25 C ATOM 1100 CZ TYR A 66 2.689 4.614 9.707 1.00 44.23 C ATOM 1101 OH TYR A 66 1.565 4.694 10.502 1.00 44.55 O ATOM 0 H TYR A 66 4.220 3.684 5.223 1.00 50.11 H new ATOM 0 HA TYR A 66 7.121 3.358 5.599 1.00 52.03 H new ATOM 0 HB2 TYR A 66 7.052 4.088 7.882 1.00 71.43 H new ATOM 0 HB3 TYR A 66 6.438 5.382 6.873 1.00 71.43 H new ATOM 0 HD1 TYR A 66 3.928 5.820 6.821 1.00 44.44 H new ATOM 0 HD2 TYR A 66 5.693 3.111 9.601 1.00 54.33 H new ATOM 0 HE1 TYR A 66 1.924 5.959 8.234 1.00 41.31 H new ATOM 0 HE2 TYR A 66 3.693 3.255 11.013 1.00 42.25 H new ATOM 0 HH TYR A 66 1.681 4.124 11.291 1.00 44.55 H new ATOM 1111 N GLN A 67 6.721 1.271 7.053 1.00 34.44 N ATOM 1112 CA GLN A 67 6.497 -0.106 7.497 1.00 31.45 C ATOM 1113 C GLN A 67 7.392 -0.459 8.694 1.00 72.25 C ATOM 1114 O GLN A 67 8.582 -0.145 8.709 1.00 1.10 O ATOM 1115 CB GLN A 67 6.722 -1.081 6.323 1.00 5.44 C ATOM 1116 CG GLN A 67 8.111 -0.998 5.676 1.00 54.13 C ATOM 1117 CD GLN A 67 9.157 -1.898 6.325 1.00 43.21 C ATOM 1118 OE1 GLN A 67 10.334 -1.556 6.383 1.00 44.31 O ATOM 1119 NE2 GLN A 67 8.751 -3.066 6.785 1.00 14.40 N ATOM 0 H GLN A 67 7.677 1.603 7.182 1.00 34.44 H new ATOM 0 HA GLN A 67 5.464 -0.198 7.831 1.00 31.45 H new ATOM 0 HB2 GLN A 67 6.562 -2.099 6.679 1.00 5.44 H new ATOM 0 HB3 GLN A 67 5.969 -0.888 5.559 1.00 5.44 H new ATOM 0 HG2 GLN A 67 8.025 -1.261 4.622 1.00 54.13 H new ATOM 0 HG3 GLN A 67 8.459 0.034 5.719 1.00 54.13 H new ATOM 0 HE21 GLN A 67 7.766 -3.324 6.724 1.00 14.40 H new ATOM 0 HE22 GLN A 67 9.422 -3.711 7.202 1.00 14.40 H new ATOM 1128 N ASP A 68 6.807 -1.100 9.700 1.00 11.31 N ATOM 1129 CA ASP A 68 7.539 -1.460 10.919 1.00 21.11 C ATOM 1130 C ASP A 68 8.184 -2.856 10.801 1.00 35.32 C ATOM 1131 O ASP A 68 7.769 -3.677 9.978 1.00 2.03 O ATOM 1132 CB ASP A 68 6.593 -1.408 12.124 1.00 2.20 C ATOM 1133 CG ASP A 68 7.330 -1.553 13.444 1.00 43.51 C ATOM 1134 OD1 ASP A 68 7.811 -0.534 13.973 1.00 34.31 O ATOM 1135 OD2 ASP A 68 7.454 -2.686 13.947 1.00 14.43 O ATOM 0 H ASP A 68 5.827 -1.383 9.700 1.00 11.31 H new ATOM 0 HA ASP A 68 8.344 -0.738 11.059 1.00 21.11 H new ATOM 0 HB2 ASP A 68 6.050 -0.463 12.116 1.00 2.20 H new ATOM 0 HB3 ASP A 68 5.852 -2.202 12.035 1.00 2.20 H new ATOM 1140 N ASN A 69 9.195 -3.117 11.639 1.00 0.15 N ATOM 1141 CA ASN A 69 9.898 -4.411 11.653 1.00 24.13 C ATOM 1142 C ASN A 69 8.943 -5.580 11.962 1.00 15.10 C ATOM 1143 O ASN A 69 9.186 -6.717 11.556 1.00 61.35 O ATOM 1144 CB ASN A 69 11.049 -4.378 12.671 1.00 13.40 C ATOM 1145 CG ASN A 69 11.817 -5.689 12.727 1.00 14.51 C ATOM 1146 OD1 ASN A 69 11.528 -6.559 13.545 1.00 43.12 O ATOM 1147 ND2 ASN A 69 12.796 -5.846 11.857 1.00 74.15 N ATOM 0 H ASN A 69 9.548 -2.446 12.321 1.00 0.15 H new ATOM 0 HA ASN A 69 10.305 -4.576 10.655 1.00 24.13 H new ATOM 0 HB2 ASN A 69 11.734 -3.570 12.413 1.00 13.40 H new ATOM 0 HB3 ASN A 69 10.649 -4.153 13.660 1.00 13.40 H new ATOM 0 HD21 ASN A 69 13.339 -6.710 11.850 1.00 74.15 H new ATOM 0 HD22 ASN A 69 13.010 -5.104 11.191 1.00 74.15 H new ATOM 1154 N THR A 70 7.849 -5.294 12.671 1.00 34.31 N ATOM 1155 CA THR A 70 6.821 -6.311 12.956 1.00 73.10 C ATOM 1156 C THR A 70 6.092 -6.755 11.675 1.00 63.25 C ATOM 1157 O THR A 70 5.250 -7.654 11.706 1.00 71.23 O ATOM 1158 CB THR A 70 5.767 -5.804 13.975 1.00 73.45 C ATOM 1159 OG1 THR A 70 4.862 -6.866 14.334 1.00 31.35 O ATOM 1160 CG2 THR A 70 4.966 -4.631 13.415 1.00 63.01 C ATOM 0 H THR A 70 7.648 -4.372 13.059 1.00 34.31 H new ATOM 0 HA THR A 70 7.352 -7.160 13.386 1.00 73.10 H new ATOM 0 HB THR A 70 6.307 -5.466 14.859 1.00 73.45 H new ATOM 0 HG1 THR A 70 4.719 -7.449 13.560 1.00 31.35 H new ATOM 0 HG21 THR A 70 4.237 -4.302 14.156 1.00 63.01 H new ATOM 0 HG22 THR A 70 5.641 -3.808 13.180 1.00 63.01 H new ATOM 0 HG23 THR A 70 4.447 -4.944 12.509 1.00 63.01 H new ATOM 1168 N GLY A 71 6.416 -6.111 10.554 1.00 71.33 N ATOM 1169 CA GLY A 71 5.814 -6.455 9.271 1.00 40.41 C ATOM 1170 C GLY A 71 4.588 -5.613 8.934 1.00 41.25 C ATOM 1171 O GLY A 71 3.922 -5.849 7.928 1.00 4.04 O ATOM 0 H GLY A 71 7.092 -5.349 10.511 1.00 71.33 H new ATOM 0 HA2 GLY A 71 6.558 -6.332 8.484 1.00 40.41 H new ATOM 0 HA3 GLY A 71 5.531 -7.508 9.281 1.00 40.41 H new ATOM 1175 N ARG A 72 4.293 -4.621 9.767 1.00 23.33 N ATOM 1176 CA ARG A 72 3.109 -3.779 9.566 1.00 40.11 C ATOM 1177 C ARG A 72 3.366 -2.688 8.515 1.00 65.41 C ATOM 1178 O ARG A 72 4.154 -1.769 8.738 1.00 71.21 O ATOM 1179 CB ARG A 72 2.676 -3.137 10.891 1.00 23.14 C ATOM 1180 CG ARG A 72 1.321 -2.436 10.815 1.00 41.31 C ATOM 1181 CD ARG A 72 0.934 -1.802 12.144 1.00 24.44 C ATOM 1182 NE ARG A 72 -0.455 -1.354 12.153 1.00 10.45 N ATOM 1183 CZ ARG A 72 -1.016 -0.755 13.164 1.00 43.04 C ATOM 1184 NH1 ARG A 72 -0.315 -0.421 14.202 1.00 5.42 N ATOM 1185 NH2 ARG A 72 -2.273 -0.465 13.119 1.00 54.34 N ATOM 0 H ARG A 72 4.851 -4.377 10.585 1.00 23.33 H new ATOM 0 HA ARG A 72 2.308 -4.421 9.200 1.00 40.11 H new ATOM 0 HB2 ARG A 72 2.635 -3.906 11.662 1.00 23.14 H new ATOM 0 HB3 ARG A 72 3.432 -2.416 11.200 1.00 23.14 H new ATOM 0 HG2 ARG A 72 1.352 -1.668 10.042 1.00 41.31 H new ATOM 0 HG3 ARG A 72 0.557 -3.155 10.519 1.00 41.31 H new ATOM 0 HD2 ARG A 72 1.088 -2.522 12.948 1.00 24.44 H new ATOM 0 HD3 ARG A 72 1.589 -0.955 12.346 1.00 24.44 H new ATOM 0 HE ARG A 72 -1.019 -1.520 11.319 1.00 10.45 H new ATOM 0 HH11 ARG A 72 0.684 -0.627 14.231 1.00 5.42 H new ATOM 0 HH12 ARG A 72 -0.762 0.048 14.990 1.00 5.42 H new ATOM 0 HH21 ARG A 72 -2.823 -0.705 12.294 1.00 54.34 H new ATOM 0 HH22 ARG A 72 -2.717 0.004 13.909 1.00 54.34 H new ATOM 1199 N VAL A 73 2.698 -2.804 7.373 1.00 15.25 N ATOM 1200 CA VAL A 73 2.798 -1.809 6.302 1.00 55.43 C ATOM 1201 C VAL A 73 1.660 -0.785 6.405 1.00 1.30 C ATOM 1202 O VAL A 73 0.522 -1.154 6.672 1.00 3.45 O ATOM 1203 CB VAL A 73 2.732 -2.490 4.913 1.00 4.30 C ATOM 1204 CG1 VAL A 73 2.850 -1.461 3.788 1.00 4.53 C ATOM 1205 CG2 VAL A 73 3.810 -3.567 4.791 1.00 14.11 C ATOM 0 H VAL A 73 2.075 -3.583 7.160 1.00 15.25 H new ATOM 0 HA VAL A 73 3.756 -1.302 6.413 1.00 55.43 H new ATOM 0 HB VAL A 73 1.759 -2.972 4.817 1.00 4.30 H new ATOM 0 HG11 VAL A 73 2.800 -1.968 2.824 1.00 4.53 H new ATOM 0 HG12 VAL A 73 2.032 -0.744 3.863 1.00 4.53 H new ATOM 0 HG13 VAL A 73 3.802 -0.936 3.873 1.00 4.53 H new ATOM 0 HG21 VAL A 73 3.748 -4.034 3.808 1.00 14.11 H new ATOM 0 HG22 VAL A 73 4.793 -3.113 4.916 1.00 14.11 H new ATOM 0 HG23 VAL A 73 3.659 -4.322 5.562 1.00 14.11 H new ATOM 1215 N THR A 74 1.966 0.497 6.211 1.00 54.21 N ATOM 1216 CA THR A 74 0.937 1.549 6.254 1.00 32.14 C ATOM 1217 C THR A 74 1.119 2.580 5.127 1.00 41.25 C ATOM 1218 O THR A 74 2.153 3.246 5.036 1.00 13.34 O ATOM 1219 CB THR A 74 0.932 2.291 7.615 1.00 42.24 C ATOM 1220 OG1 THR A 74 0.785 1.350 8.694 1.00 64.14 O ATOM 1221 CG2 THR A 74 -0.199 3.314 7.679 1.00 10.50 C ATOM 0 H THR A 74 2.909 0.836 6.023 1.00 54.21 H new ATOM 0 HA THR A 74 -0.017 1.040 6.118 1.00 32.14 H new ATOM 0 HB THR A 74 1.883 2.814 7.713 1.00 42.24 H new ATOM 0 HG1 THR A 74 0.785 1.830 9.549 1.00 64.14 H new ATOM 0 HG21 THR A 74 -0.178 3.819 8.645 1.00 10.50 H new ATOM 0 HG22 THR A 74 -0.072 4.047 6.883 1.00 10.50 H new ATOM 0 HG23 THR A 74 -1.156 2.807 7.555 1.00 10.50 H new ATOM 1229 N LEU A 75 0.104 2.703 4.274 1.00 34.11 N ATOM 1230 CA LEU A 75 0.094 3.696 3.190 1.00 24.04 C ATOM 1231 C LEU A 75 -0.847 4.867 3.531 1.00 4.41 C ATOM 1232 O LEU A 75 -2.005 4.655 3.896 1.00 1.13 O ATOM 1233 CB LEU A 75 -0.354 3.037 1.875 1.00 2.05 C ATOM 1234 CG LEU A 75 -0.453 3.978 0.659 1.00 1.31 C ATOM 1235 CD1 LEU A 75 0.914 4.555 0.302 1.00 31.34 C ATOM 1236 CD2 LEU A 75 -1.061 3.252 -0.538 1.00 22.34 C ATOM 0 H LEU A 75 -0.734 2.122 4.310 1.00 34.11 H new ATOM 0 HA LEU A 75 1.106 4.085 3.073 1.00 24.04 H new ATOM 0 HB2 LEU A 75 0.344 2.235 1.635 1.00 2.05 H new ATOM 0 HB3 LEU A 75 -1.328 2.575 2.034 1.00 2.05 H new ATOM 0 HG LEU A 75 -1.109 4.806 0.927 1.00 1.31 H new ATOM 0 HD11 LEU A 75 0.816 5.216 -0.559 1.00 31.34 H new ATOM 0 HD12 LEU A 75 1.303 5.119 1.150 1.00 31.34 H new ATOM 0 HD13 LEU A 75 1.600 3.743 0.061 1.00 31.34 H new ATOM 0 HD21 LEU A 75 -1.122 3.935 -1.385 1.00 22.34 H new ATOM 0 HD22 LEU A 75 -0.435 2.400 -0.803 1.00 22.34 H new ATOM 0 HD23 LEU A 75 -2.061 2.902 -0.282 1.00 22.34 H new ATOM 1248 N LEU A 76 -0.343 6.094 3.408 1.00 70.43 N ATOM 1249 CA LEU A 76 -1.128 7.300 3.721 1.00 62.24 C ATOM 1250 C LEU A 76 -1.354 8.163 2.467 1.00 21.22 C ATOM 1251 O LEU A 76 -0.399 8.631 1.841 1.00 12.43 O ATOM 1252 CB LEU A 76 -0.409 8.124 4.804 1.00 72.23 C ATOM 1253 CG LEU A 76 -0.141 7.379 6.124 1.00 52.32 C ATOM 1254 CD1 LEU A 76 0.694 8.234 7.072 1.00 53.11 C ATOM 1255 CD2 LEU A 76 -1.451 6.963 6.791 1.00 62.24 C ATOM 0 H LEU A 76 0.608 6.285 3.093 1.00 70.43 H new ATOM 0 HA LEU A 76 -2.103 6.983 4.091 1.00 62.24 H new ATOM 0 HB2 LEU A 76 0.543 8.471 4.402 1.00 72.23 H new ATOM 0 HB3 LEU A 76 -1.006 9.010 5.020 1.00 72.23 H new ATOM 0 HG LEU A 76 0.425 6.477 5.890 1.00 52.32 H new ATOM 0 HD11 LEU A 76 0.870 7.685 7.997 1.00 53.11 H new ATOM 0 HD12 LEU A 76 1.649 8.470 6.603 1.00 53.11 H new ATOM 0 HD13 LEU A 76 0.160 9.158 7.294 1.00 53.11 H new ATOM 0 HD21 LEU A 76 -1.235 6.438 7.722 1.00 62.24 H new ATOM 0 HD22 LEU A 76 -2.048 7.850 7.004 1.00 62.24 H new ATOM 0 HD23 LEU A 76 -2.006 6.304 6.123 1.00 62.24 H new ATOM 1267 N ILE A 77 -2.623 8.372 2.111 1.00 3.35 N ATOM 1268 CA ILE A 77 -2.984 9.163 0.926 1.00 42.32 C ATOM 1269 C ILE A 77 -3.829 10.396 1.304 1.00 42.11 C ATOM 1270 O ILE A 77 -4.886 10.272 1.928 1.00 40.42 O ATOM 1271 CB ILE A 77 -3.765 8.294 -0.097 1.00 34.24 C ATOM 1272 CG1 ILE A 77 -2.889 7.125 -0.581 1.00 2.54 C ATOM 1273 CG2 ILE A 77 -4.250 9.138 -1.278 1.00 44.42 C ATOM 1274 CD1 ILE A 77 -3.614 6.141 -1.477 1.00 33.34 C ATOM 0 H ILE A 77 -3.423 8.004 2.627 1.00 3.35 H new ATOM 0 HA ILE A 77 -2.054 9.507 0.473 1.00 42.32 H new ATOM 0 HB ILE A 77 -4.644 7.885 0.401 1.00 34.24 H new ATOM 0 HG12 ILE A 77 -2.030 7.526 -1.119 1.00 2.54 H new ATOM 0 HG13 ILE A 77 -2.500 6.592 0.287 1.00 2.54 H new ATOM 0 HG21 ILE A 77 -4.794 8.505 -1.979 1.00 44.42 H new ATOM 0 HG22 ILE A 77 -4.909 9.927 -0.915 1.00 44.42 H new ATOM 0 HG23 ILE A 77 -3.393 9.585 -1.782 1.00 44.42 H new ATOM 0 HD11 ILE A 77 -2.929 5.347 -1.775 1.00 33.34 H new ATOM 0 HD12 ILE A 77 -4.456 5.709 -0.937 1.00 33.34 H new ATOM 0 HD13 ILE A 77 -3.979 6.658 -2.365 1.00 33.34 H new ATOM 1286 N LYS A 78 -3.346 11.585 0.933 1.00 70.14 N ATOM 1287 CA LYS A 78 -4.056 12.849 1.205 1.00 32.44 C ATOM 1288 C LYS A 78 -4.550 13.512 -0.098 1.00 41.24 C ATOM 1289 O LYS A 78 -3.975 13.299 -1.168 1.00 43.52 O ATOM 1290 CB LYS A 78 -3.127 13.834 1.936 1.00 3.41 C ATOM 1291 CG LYS A 78 -2.458 13.273 3.190 1.00 72.54 C ATOM 1292 CD LYS A 78 -1.407 14.242 3.736 1.00 5.32 C ATOM 1293 CE LYS A 78 -0.616 13.641 4.891 1.00 40.40 C ATOM 1294 NZ LYS A 78 0.511 14.519 5.303 1.00 20.32 N ATOM 0 H LYS A 78 -2.461 11.704 0.440 1.00 70.14 H new ATOM 0 HA LYS A 78 -4.917 12.609 1.828 1.00 32.44 H new ATOM 0 HB2 LYS A 78 -2.352 14.162 1.244 1.00 3.41 H new ATOM 0 HB3 LYS A 78 -3.703 14.717 2.213 1.00 3.41 H new ATOM 0 HG2 LYS A 78 -3.212 13.082 3.953 1.00 72.54 H new ATOM 0 HG3 LYS A 78 -1.989 12.316 2.959 1.00 72.54 H new ATOM 0 HD2 LYS A 78 -0.722 14.522 2.935 1.00 5.32 H new ATOM 0 HD3 LYS A 78 -1.897 15.156 4.070 1.00 5.32 H new ATOM 0 HE2 LYS A 78 -1.279 13.478 5.740 1.00 40.40 H new ATOM 0 HE3 LYS A 78 -0.228 12.665 4.598 1.00 40.40 H new ATOM 0 HZ1 LYS A 78 1.066 14.046 6.045 1.00 20.32 H new ATOM 0 HZ2 LYS A 78 1.121 14.709 4.482 1.00 20.32 H new ATOM 0 HZ3 LYS A 78 0.135 15.416 5.671 1.00 20.32 H new ATOM 1308 N ASP A 79 -5.608 14.322 0.014 1.00 73.14 N ATOM 1309 CA ASP A 79 -6.104 15.149 -1.103 1.00 55.44 C ATOM 1310 C ASP A 79 -6.462 14.296 -2.342 1.00 21.34 C ATOM 1311 O ASP A 79 -6.282 14.715 -3.486 1.00 75.10 O ATOM 1312 CB ASP A 79 -5.053 16.220 -1.448 1.00 62.33 C ATOM 1313 CG ASP A 79 -5.637 17.405 -2.201 1.00 30.41 C ATOM 1314 OD1 ASP A 79 -6.529 18.084 -1.644 1.00 41.41 O ATOM 1315 OD2 ASP A 79 -5.189 17.688 -3.332 1.00 4.52 O ATOM 0 H ASP A 79 -6.146 14.426 0.875 1.00 73.14 H new ATOM 0 HA ASP A 79 -7.026 15.637 -0.788 1.00 55.44 H new ATOM 0 HB2 ASP A 79 -4.588 16.575 -0.528 1.00 62.33 H new ATOM 0 HB3 ASP A 79 -4.265 15.767 -2.049 1.00 62.33 H new ATOM 1320 N VAL A 80 -7.002 13.108 -2.096 1.00 11.12 N ATOM 1321 CA VAL A 80 -7.367 12.178 -3.174 1.00 64.04 C ATOM 1322 C VAL A 80 -8.759 12.517 -3.761 1.00 73.34 C ATOM 1323 O VAL A 80 -9.743 12.611 -3.027 1.00 52.31 O ATOM 1324 CB VAL A 80 -7.344 10.712 -2.643 1.00 14.54 C ATOM 1325 CG1 VAL A 80 -8.479 10.451 -1.662 1.00 61.14 C ATOM 1326 CG2 VAL A 80 -7.381 9.699 -3.779 1.00 74.12 C ATOM 0 H VAL A 80 -7.200 12.759 -1.158 1.00 11.12 H new ATOM 0 HA VAL A 80 -6.634 12.280 -3.975 1.00 64.04 H new ATOM 0 HB VAL A 80 -6.401 10.588 -2.111 1.00 14.54 H new ATOM 0 HG11 VAL A 80 -8.429 9.419 -1.314 1.00 61.14 H new ATOM 0 HG12 VAL A 80 -8.387 11.126 -0.811 1.00 61.14 H new ATOM 0 HG13 VAL A 80 -9.435 10.621 -2.158 1.00 61.14 H new ATOM 0 HG21 VAL A 80 -7.364 8.690 -3.367 1.00 74.12 H new ATOM 0 HG22 VAL A 80 -8.292 9.838 -4.361 1.00 74.12 H new ATOM 0 HG23 VAL A 80 -6.514 9.843 -4.423 1.00 74.12 H new ATOM 1336 N ASN A 81 -8.849 12.731 -5.078 1.00 41.04 N ATOM 1337 CA ASN A 81 -10.158 12.987 -5.711 1.00 43.22 C ATOM 1338 C ASN A 81 -10.506 11.900 -6.739 1.00 61.24 C ATOM 1339 O ASN A 81 -9.763 10.935 -6.902 1.00 70.42 O ATOM 1340 CB ASN A 81 -10.235 14.406 -6.324 1.00 11.31 C ATOM 1341 CG ASN A 81 -9.677 14.557 -7.735 1.00 24.12 C ATOM 1342 OD1 ASN A 81 -10.158 15.376 -8.509 1.00 60.10 O ATOM 1343 ND2 ASN A 81 -8.683 13.782 -8.101 1.00 4.01 N ATOM 0 H ASN A 81 -8.055 12.734 -5.718 1.00 41.04 H new ATOM 0 HA ASN A 81 -10.912 12.943 -4.925 1.00 43.22 H new ATOM 0 HB2 ASN A 81 -11.279 14.720 -6.332 1.00 11.31 H new ATOM 0 HB3 ASN A 81 -9.700 15.093 -5.668 1.00 11.31 H new ATOM 0 HD21 ASN A 81 -8.299 13.856 -9.043 1.00 4.01 H new ATOM 0 HD22 ASN A 81 -8.295 13.106 -7.443 1.00 4.01 H new ATOM 1350 N LYS A 82 -11.638 12.061 -7.432 1.00 12.53 N ATOM 1351 CA LYS A 82 -12.149 11.025 -8.350 1.00 23.34 C ATOM 1352 C LYS A 82 -11.091 10.548 -9.369 1.00 64.41 C ATOM 1353 O LYS A 82 -11.195 9.445 -9.908 1.00 31.50 O ATOM 1354 CB LYS A 82 -13.395 11.540 -9.089 1.00 73.40 C ATOM 1355 CG LYS A 82 -14.534 11.967 -8.165 1.00 34.22 C ATOM 1356 CD LYS A 82 -15.154 10.799 -7.403 1.00 62.02 C ATOM 1357 CE LYS A 82 -16.110 9.979 -8.264 1.00 0.33 C ATOM 1358 NZ LYS A 82 -15.409 9.113 -9.251 1.00 62.20 N ATOM 0 H LYS A 82 -12.221 12.896 -7.378 1.00 12.53 H new ATOM 0 HA LYS A 82 -12.411 10.163 -7.736 1.00 23.34 H new ATOM 0 HB2 LYS A 82 -13.110 12.387 -9.713 1.00 73.40 H new ATOM 0 HB3 LYS A 82 -13.757 10.759 -9.758 1.00 73.40 H new ATOM 0 HG2 LYS A 82 -14.160 12.701 -7.452 1.00 34.22 H new ATOM 0 HG3 LYS A 82 -15.307 12.460 -8.754 1.00 34.22 H new ATOM 0 HD2 LYS A 82 -14.361 10.151 -7.030 1.00 62.02 H new ATOM 0 HD3 LYS A 82 -15.690 11.180 -6.534 1.00 62.02 H new ATOM 0 HE2 LYS A 82 -16.728 9.356 -7.618 1.00 0.33 H new ATOM 0 HE3 LYS A 82 -16.782 10.654 -8.794 1.00 0.33 H new ATOM 0 HZ1 LYS A 82 -15.846 8.170 -9.257 1.00 62.20 H new ATOM 0 HZ2 LYS A 82 -15.484 9.536 -10.198 1.00 62.20 H new ATOM 0 HZ3 LYS A 82 -14.406 9.028 -8.988 1.00 62.20 H new ATOM 1372 N LYS A 83 -10.082 11.375 -9.628 1.00 4.21 N ATOM 1373 CA LYS A 83 -8.991 11.011 -10.543 1.00 12.31 C ATOM 1374 C LYS A 83 -8.046 9.965 -9.932 1.00 62.35 C ATOM 1375 O LYS A 83 -7.619 9.027 -10.606 1.00 33.50 O ATOM 1376 CB LYS A 83 -8.177 12.258 -10.912 1.00 24.11 C ATOM 1377 CG LYS A 83 -8.980 13.336 -11.629 1.00 61.31 C ATOM 1378 CD LYS A 83 -9.561 12.813 -12.934 1.00 63.51 C ATOM 1379 CE LYS A 83 -10.270 13.905 -13.728 1.00 22.21 C ATOM 1380 NZ LYS A 83 -11.462 14.441 -13.017 1.00 20.51 N ATOM 0 H LYS A 83 -9.992 12.305 -9.219 1.00 4.21 H new ATOM 0 HA LYS A 83 -9.451 10.578 -11.432 1.00 12.31 H new ATOM 0 HB2 LYS A 83 -7.750 12.682 -10.003 1.00 24.11 H new ATOM 0 HB3 LYS A 83 -7.343 11.959 -11.547 1.00 24.11 H new ATOM 0 HG2 LYS A 83 -9.786 13.683 -10.982 1.00 61.31 H new ATOM 0 HG3 LYS A 83 -8.341 14.195 -11.831 1.00 61.31 H new ATOM 0 HD2 LYS A 83 -8.762 12.386 -13.540 1.00 63.51 H new ATOM 0 HD3 LYS A 83 -10.264 12.008 -12.720 1.00 63.51 H new ATOM 0 HE2 LYS A 83 -9.572 14.718 -13.925 1.00 22.21 H new ATOM 0 HE3 LYS A 83 -10.576 13.506 -14.695 1.00 22.21 H new ATOM 0 HZ1 LYS A 83 -11.938 15.143 -13.618 1.00 20.51 H new ATOM 0 HZ2 LYS A 83 -12.119 13.663 -12.806 1.00 20.51 H new ATOM 0 HZ3 LYS A 83 -11.163 14.892 -12.129 1.00 20.51 H new ATOM 1394 N ASP A 84 -7.740 10.129 -8.648 1.00 23.34 N ATOM 1395 CA ASP A 84 -6.709 9.330 -7.977 1.00 43.41 C ATOM 1396 C ASP A 84 -7.227 7.958 -7.501 1.00 11.24 C ATOM 1397 O ASP A 84 -6.470 7.168 -6.933 1.00 60.21 O ATOM 1398 CB ASP A 84 -6.155 10.110 -6.784 1.00 30.34 C ATOM 1399 CG ASP A 84 -5.774 11.531 -7.148 1.00 75.22 C ATOM 1400 OD1 ASP A 84 -4.621 11.758 -7.571 1.00 54.24 O ATOM 1401 OD2 ASP A 84 -6.632 12.427 -7.020 1.00 11.41 O ATOM 0 H ASP A 84 -8.194 10.814 -8.043 1.00 23.34 H new ATOM 0 HA ASP A 84 -5.924 9.139 -8.709 1.00 43.41 H new ATOM 0 HB2 ASP A 84 -6.900 10.129 -5.989 1.00 30.34 H new ATOM 0 HB3 ASP A 84 -5.281 9.592 -6.389 1.00 30.34 H new ATOM 1406 N ALA A 85 -8.505 7.667 -7.732 1.00 55.43 N ATOM 1407 CA ALA A 85 -9.074 6.390 -7.287 1.00 15.35 C ATOM 1408 C ALA A 85 -8.735 5.262 -8.270 1.00 62.14 C ATOM 1409 O ALA A 85 -8.699 5.463 -9.485 1.00 55.45 O ATOM 1410 CB ALA A 85 -10.587 6.514 -7.125 1.00 31.22 C ATOM 0 H ALA A 85 -9.159 8.283 -8.215 1.00 55.43 H new ATOM 0 HA ALA A 85 -8.634 6.141 -6.322 1.00 15.35 H new ATOM 0 HB1 ALA A 85 -10.997 5.560 -6.794 1.00 31.22 H new ATOM 0 HB2 ALA A 85 -10.812 7.282 -6.384 1.00 31.22 H new ATOM 0 HB3 ALA A 85 -11.034 6.789 -8.080 1.00 31.22 H new ATOM 1416 N GLY A 86 -8.480 4.073 -7.736 1.00 25.34 N ATOM 1417 CA GLY A 86 -8.106 2.944 -8.573 1.00 12.13 C ATOM 1418 C GLY A 86 -7.791 1.685 -7.774 1.00 61.52 C ATOM 1419 O GLY A 86 -8.002 1.634 -6.559 1.00 45.40 O ATOM 0 H GLY A 86 -8.525 3.869 -6.738 1.00 25.34 H new ATOM 0 HA2 GLY A 86 -8.917 2.731 -9.269 1.00 12.13 H new ATOM 0 HA3 GLY A 86 -7.236 3.215 -9.170 1.00 12.13 H new ATOM 1423 N TRP A 87 -7.284 0.667 -8.459 1.00 41.13 N ATOM 1424 CA TRP A 87 -6.778 -0.533 -7.794 1.00 75.05 C ATOM 1425 C TRP A 87 -5.271 -0.412 -7.524 1.00 2.43 C ATOM 1426 O TRP A 87 -4.471 -0.256 -8.448 1.00 61.55 O ATOM 1427 CB TRP A 87 -7.075 -1.779 -8.635 1.00 32.35 C ATOM 1428 CG TRP A 87 -8.511 -2.210 -8.562 1.00 54.31 C ATOM 1429 CD1 TRP A 87 -9.568 -1.692 -9.256 1.00 72.34 C ATOM 1430 CD2 TRP A 87 -9.044 -3.247 -7.734 1.00 2.34 C ATOM 1431 NE1 TRP A 87 -10.725 -2.347 -8.908 1.00 45.42 N ATOM 1432 CE2 TRP A 87 -10.429 -3.309 -7.976 1.00 61.33 C ATOM 1433 CE3 TRP A 87 -8.481 -4.133 -6.811 1.00 24.21 C ATOM 1434 CZ2 TRP A 87 -11.259 -4.220 -7.327 1.00 50.44 C ATOM 1435 CZ3 TRP A 87 -9.303 -5.037 -6.168 1.00 42.42 C ATOM 1436 CH2 TRP A 87 -10.679 -5.076 -6.428 1.00 31.34 C ATOM 0 H TRP A 87 -7.211 0.646 -9.476 1.00 41.13 H new ATOM 0 HA TRP A 87 -7.289 -0.633 -6.836 1.00 75.05 H new ATOM 0 HB2 TRP A 87 -6.814 -1.579 -9.674 1.00 32.35 H new ATOM 0 HB3 TRP A 87 -6.439 -2.597 -8.298 1.00 32.35 H new ATOM 0 HD1 TRP A 87 -9.504 -0.886 -9.972 1.00 72.34 H new ATOM 0 HE1 TRP A 87 -11.653 -2.150 -9.282 1.00 45.42 H new ATOM 0 HE3 TRP A 87 -7.421 -4.111 -6.604 1.00 24.21 H new ATOM 0 HZ2 TRP A 87 -12.320 -4.251 -7.525 1.00 50.44 H new ATOM 0 HZ3 TRP A 87 -8.878 -5.726 -5.453 1.00 42.42 H new ATOM 0 HH2 TRP A 87 -11.295 -5.795 -5.909 1.00 31.34 H new ATOM 1447 N TYR A 88 -4.903 -0.466 -6.247 1.00 64.34 N ATOM 1448 CA TYR A 88 -3.502 -0.401 -5.824 1.00 61.15 C ATOM 1449 C TYR A 88 -2.913 -1.808 -5.653 1.00 44.24 C ATOM 1450 O TYR A 88 -3.344 -2.580 -4.798 1.00 61.22 O ATOM 1451 CB TYR A 88 -3.375 0.378 -4.505 1.00 11.12 C ATOM 1452 CG TYR A 88 -3.623 1.873 -4.641 1.00 44.22 C ATOM 1453 CD1 TYR A 88 -4.896 2.373 -4.900 1.00 5.34 C ATOM 1454 CD2 TYR A 88 -2.577 2.782 -4.508 1.00 25.01 C ATOM 1455 CE1 TYR A 88 -5.118 3.733 -5.023 1.00 51.40 C ATOM 1456 CE2 TYR A 88 -2.792 4.141 -4.629 1.00 10.25 C ATOM 1457 CZ TYR A 88 -4.062 4.613 -4.887 1.00 30.11 C ATOM 1458 OH TYR A 88 -4.276 5.968 -5.012 1.00 72.02 O ATOM 0 H TYR A 88 -5.564 -0.556 -5.475 1.00 64.34 H new ATOM 0 HA TYR A 88 -2.942 0.118 -6.602 1.00 61.15 H new ATOM 0 HB2 TYR A 88 -4.081 -0.033 -3.783 1.00 11.12 H new ATOM 0 HB3 TYR A 88 -2.376 0.222 -4.098 1.00 11.12 H new ATOM 0 HD1 TYR A 88 -5.724 1.688 -5.007 1.00 5.34 H new ATOM 0 HD2 TYR A 88 -1.580 2.418 -4.307 1.00 25.01 H new ATOM 0 HE1 TYR A 88 -6.112 4.105 -5.224 1.00 51.40 H new ATOM 0 HE2 TYR A 88 -1.969 4.832 -4.522 1.00 10.25 H new ATOM 0 HH TYR A 88 -4.978 6.128 -5.677 1.00 72.02 H new ATOM 1468 N THR A 89 -1.924 -2.131 -6.469 1.00 41.32 N ATOM 1469 CA THR A 89 -1.261 -3.433 -6.414 1.00 44.52 C ATOM 1470 C THR A 89 0.034 -3.340 -5.599 1.00 33.33 C ATOM 1471 O THR A 89 0.974 -2.643 -5.988 1.00 3.33 O ATOM 1472 CB THR A 89 -0.931 -3.958 -7.834 1.00 53.22 C ATOM 1473 OG1 THR A 89 -2.133 -4.037 -8.622 1.00 65.34 O ATOM 1474 CG2 THR A 89 -0.263 -5.330 -7.781 1.00 23.33 C ATOM 0 H THR A 89 -1.556 -1.506 -7.186 1.00 41.32 H new ATOM 0 HA THR A 89 -1.948 -4.129 -5.934 1.00 44.52 H new ATOM 0 HB THR A 89 -0.235 -3.257 -8.294 1.00 53.22 H new ATOM 0 HG1 THR A 89 -1.915 -4.368 -9.518 1.00 65.34 H new ATOM 0 HG21 THR A 89 -0.045 -5.668 -8.794 1.00 23.33 H new ATOM 0 HG22 THR A 89 0.665 -5.261 -7.214 1.00 23.33 H new ATOM 0 HG23 THR A 89 -0.932 -6.042 -7.297 1.00 23.33 H new ATOM 1482 N VAL A 90 0.073 -4.038 -4.468 1.00 21.35 N ATOM 1483 CA VAL A 90 1.234 -3.996 -3.572 1.00 13.24 C ATOM 1484 C VAL A 90 2.140 -5.223 -3.772 1.00 53.15 C ATOM 1485 O VAL A 90 1.675 -6.366 -3.772 1.00 31.54 O ATOM 1486 CB VAL A 90 0.802 -3.899 -2.082 1.00 5.34 C ATOM 1487 CG1 VAL A 90 -0.129 -5.051 -1.703 1.00 54.14 C ATOM 1488 CG2 VAL A 90 2.025 -3.856 -1.161 1.00 2.20 C ATOM 0 H VAL A 90 -0.684 -4.641 -4.146 1.00 21.35 H new ATOM 0 HA VAL A 90 1.798 -3.099 -3.828 1.00 13.24 H new ATOM 0 HB VAL A 90 0.250 -2.968 -1.953 1.00 5.34 H new ATOM 0 HG11 VAL A 90 -0.415 -4.958 -0.655 1.00 54.14 H new ATOM 0 HG12 VAL A 90 -1.022 -5.018 -2.327 1.00 54.14 H new ATOM 0 HG13 VAL A 90 0.385 -6.000 -1.856 1.00 54.14 H new ATOM 0 HG21 VAL A 90 1.697 -3.788 -0.124 1.00 2.20 H new ATOM 0 HG22 VAL A 90 2.615 -4.763 -1.297 1.00 2.20 H new ATOM 0 HG23 VAL A 90 2.635 -2.987 -1.406 1.00 2.20 H new ATOM 1498 N SER A 91 3.432 -4.971 -3.957 1.00 53.52 N ATOM 1499 CA SER A 91 4.417 -6.042 -4.157 1.00 63.42 C ATOM 1500 C SER A 91 5.554 -5.944 -3.134 1.00 74.34 C ATOM 1501 O SER A 91 6.223 -4.914 -3.031 1.00 35.41 O ATOM 1502 CB SER A 91 4.991 -5.981 -5.581 1.00 15.40 C ATOM 1503 OG SER A 91 3.960 -6.073 -6.555 1.00 64.44 O ATOM 0 H SER A 91 3.828 -4.031 -3.973 1.00 53.52 H new ATOM 0 HA SER A 91 3.908 -6.995 -4.016 1.00 63.42 H new ATOM 0 HB2 SER A 91 5.540 -5.049 -5.715 1.00 15.40 H new ATOM 0 HB3 SER A 91 5.703 -6.793 -5.724 1.00 15.40 H new ATOM 0 HG SER A 91 4.353 -6.030 -7.452 1.00 64.44 H new ATOM 1509 N ALA A 92 5.760 -7.013 -2.371 1.00 13.32 N ATOM 1510 CA ALA A 92 6.846 -7.069 -1.390 1.00 61.42 C ATOM 1511 C ALA A 92 7.938 -8.044 -1.849 1.00 30.44 C ATOM 1512 O ALA A 92 7.707 -9.252 -1.935 1.00 24.43 O ATOM 1513 CB ALA A 92 6.297 -7.481 -0.028 1.00 73.54 C ATOM 0 H ALA A 92 5.188 -7.857 -2.411 1.00 13.32 H new ATOM 0 HA ALA A 92 7.291 -6.078 -1.303 1.00 61.42 H new ATOM 0 HB1 ALA A 92 7.111 -7.520 0.696 1.00 73.54 H new ATOM 0 HB2 ALA A 92 5.554 -6.754 0.300 1.00 73.54 H new ATOM 0 HB3 ALA A 92 5.832 -8.464 -0.105 1.00 73.54 H new ATOM 1519 N VAL A 93 9.128 -7.521 -2.139 1.00 13.11 N ATOM 1520 CA VAL A 93 10.229 -8.351 -2.645 1.00 61.53 C ATOM 1521 C VAL A 93 11.364 -8.510 -1.617 1.00 62.01 C ATOM 1522 O VAL A 93 12.020 -7.543 -1.224 1.00 43.15 O ATOM 1523 CB VAL A 93 10.796 -7.788 -3.976 1.00 2.40 C ATOM 1524 CG1 VAL A 93 11.278 -6.350 -3.808 1.00 24.43 C ATOM 1525 CG2 VAL A 93 11.913 -8.684 -4.513 1.00 0.44 C ATOM 0 H VAL A 93 9.358 -6.533 -2.034 1.00 13.11 H new ATOM 0 HA VAL A 93 9.806 -9.338 -2.830 1.00 61.53 H new ATOM 0 HB VAL A 93 9.988 -7.781 -4.707 1.00 2.40 H new ATOM 0 HG11 VAL A 93 11.669 -5.984 -4.757 1.00 24.43 H new ATOM 0 HG12 VAL A 93 10.445 -5.722 -3.492 1.00 24.43 H new ATOM 0 HG13 VAL A 93 12.064 -6.316 -3.054 1.00 24.43 H new ATOM 0 HG21 VAL A 93 12.295 -8.270 -5.446 1.00 0.44 H new ATOM 0 HG22 VAL A 93 12.720 -8.737 -3.782 1.00 0.44 H new ATOM 0 HG23 VAL A 93 11.521 -9.685 -4.694 1.00 0.44 H new ATOM 1535 N ASN A 94 11.561 -9.744 -1.165 1.00 3.21 N ATOM 1536 CA ASN A 94 12.664 -10.099 -0.265 1.00 4.51 C ATOM 1537 C ASN A 94 13.678 -11.005 -0.990 1.00 14.21 C ATOM 1538 O ASN A 94 13.338 -11.668 -1.969 1.00 31.54 O ATOM 1539 CB ASN A 94 12.093 -10.787 0.988 1.00 62.21 C ATOM 1540 CG ASN A 94 13.157 -11.354 1.908 1.00 31.34 C ATOM 1541 OD1 ASN A 94 13.502 -12.519 1.822 1.00 41.11 O ATOM 1542 ND2 ASN A 94 13.694 -10.539 2.784 1.00 70.41 N ATOM 0 H ASN A 94 10.961 -10.532 -1.410 1.00 3.21 H new ATOM 0 HA ASN A 94 13.193 -9.197 0.042 1.00 4.51 H new ATOM 0 HB2 ASN A 94 11.490 -10.069 1.543 1.00 62.21 H new ATOM 0 HB3 ASN A 94 11.426 -11.592 0.678 1.00 62.21 H new ATOM 0 HD21 ASN A 94 14.420 -10.876 3.416 1.00 70.41 H new ATOM 0 HD22 ASN A 94 13.385 -9.568 2.833 1.00 70.41 H new ATOM 1549 N GLU A 95 14.927 -11.009 -0.523 1.00 1.44 N ATOM 1550 CA GLU A 95 15.978 -11.867 -1.098 1.00 43.21 C ATOM 1551 C GLU A 95 15.552 -13.350 -1.164 1.00 30.33 C ATOM 1552 O GLU A 95 15.894 -14.069 -2.107 1.00 4.43 O ATOM 1553 CB GLU A 95 17.263 -11.724 -0.270 1.00 43.13 C ATOM 1554 CG GLU A 95 17.067 -11.996 1.222 1.00 62.50 C ATOM 1555 CD GLU A 95 18.333 -11.778 2.033 1.00 32.31 C ATOM 1556 OE1 GLU A 95 18.569 -10.639 2.488 1.00 54.21 O ATOM 1557 OE2 GLU A 95 19.099 -12.746 2.218 1.00 54.14 O ATOM 0 H GLU A 95 15.242 -10.428 0.254 1.00 1.44 H new ATOM 0 HA GLU A 95 16.154 -11.538 -2.122 1.00 43.21 H new ATOM 0 HB2 GLU A 95 18.014 -12.411 -0.660 1.00 43.13 H new ATOM 0 HB3 GLU A 95 17.657 -10.716 -0.398 1.00 43.13 H new ATOM 0 HG2 GLU A 95 16.280 -11.346 1.604 1.00 62.50 H new ATOM 0 HG3 GLU A 95 16.727 -13.023 1.358 1.00 62.50 H new ATOM 1564 N ALA A 96 14.821 -13.797 -0.149 1.00 3.55 N ATOM 1565 CA ALA A 96 14.302 -15.169 -0.089 1.00 60.43 C ATOM 1566 C ALA A 96 13.159 -15.411 -1.097 1.00 2.34 C ATOM 1567 O ALA A 96 12.989 -16.523 -1.596 1.00 22.15 O ATOM 1568 CB ALA A 96 13.835 -15.482 1.328 1.00 42.04 C ATOM 0 H ALA A 96 14.569 -13.224 0.656 1.00 3.55 H new ATOM 0 HA ALA A 96 15.115 -15.840 -0.365 1.00 60.43 H new ATOM 0 HB1 ALA A 96 13.451 -16.501 1.368 1.00 42.04 H new ATOM 0 HB2 ALA A 96 14.673 -15.383 2.018 1.00 42.04 H new ATOM 0 HB3 ALA A 96 13.047 -14.786 1.613 1.00 42.04 H new ATOM 1574 N GLY A 97 12.379 -14.367 -1.387 1.00 43.23 N ATOM 1575 CA GLY A 97 11.246 -14.505 -2.305 1.00 14.40 C ATOM 1576 C GLY A 97 10.381 -13.248 -2.401 1.00 21.54 C ATOM 1577 O GLY A 97 10.552 -12.301 -1.633 1.00 33.02 O ATOM 0 H GLY A 97 12.508 -13.430 -1.006 1.00 43.23 H new ATOM 0 HA2 GLY A 97 11.621 -14.755 -3.297 1.00 14.40 H new ATOM 0 HA3 GLY A 97 10.625 -15.340 -1.980 1.00 14.40 H new ATOM 1581 N VAL A 98 9.440 -13.242 -3.343 1.00 3.04 N ATOM 1582 CA VAL A 98 8.557 -12.086 -3.562 1.00 5.42 C ATOM 1583 C VAL A 98 7.068 -12.486 -3.527 1.00 25.01 C ATOM 1584 O VAL A 98 6.701 -13.609 -3.887 1.00 41.41 O ATOM 1585 CB VAL A 98 8.878 -11.394 -4.916 1.00 71.00 C ATOM 1586 CG1 VAL A 98 8.704 -12.368 -6.080 1.00 34.21 C ATOM 1587 CG2 VAL A 98 8.019 -10.143 -5.120 1.00 11.03 C ATOM 0 H VAL A 98 9.265 -14.026 -3.972 1.00 3.04 H new ATOM 0 HA VAL A 98 8.742 -11.387 -2.747 1.00 5.42 H new ATOM 0 HB VAL A 98 9.921 -11.079 -4.888 1.00 71.00 H new ATOM 0 HG11 VAL A 98 8.934 -11.860 -7.017 1.00 34.21 H new ATOM 0 HG12 VAL A 98 9.379 -13.214 -5.950 1.00 34.21 H new ATOM 0 HG13 VAL A 98 7.675 -12.725 -6.105 1.00 34.21 H new ATOM 0 HG21 VAL A 98 8.268 -9.683 -6.076 1.00 11.03 H new ATOM 0 HG22 VAL A 98 6.965 -10.421 -5.114 1.00 11.03 H new ATOM 0 HG23 VAL A 98 8.212 -9.434 -4.315 1.00 11.03 H new ATOM 1597 N THR A 99 6.216 -11.561 -3.084 1.00 14.32 N ATOM 1598 CA THR A 99 4.763 -11.794 -3.015 1.00 41.13 C ATOM 1599 C THR A 99 3.972 -10.542 -3.423 1.00 65.13 C ATOM 1600 O THR A 99 4.371 -9.417 -3.114 1.00 44.51 O ATOM 1601 CB THR A 99 4.318 -12.233 -1.599 1.00 52.30 C ATOM 1602 OG1 THR A 99 2.897 -12.444 -1.570 1.00 31.23 O ATOM 1603 CG2 THR A 99 4.705 -11.197 -0.548 1.00 11.44 C ATOM 0 H THR A 99 6.504 -10.636 -2.765 1.00 14.32 H new ATOM 0 HA THR A 99 4.548 -12.599 -3.718 1.00 41.13 H new ATOM 0 HB THR A 99 4.830 -13.166 -1.364 1.00 52.30 H new ATOM 0 HG1 THR A 99 2.626 -12.723 -0.670 1.00 31.23 H new ATOM 0 HG21 THR A 99 4.378 -11.536 0.435 1.00 11.44 H new ATOM 0 HG22 THR A 99 5.787 -11.068 -0.546 1.00 11.44 H new ATOM 0 HG23 THR A 99 4.227 -10.246 -0.781 1.00 11.44 H new ATOM 1611 N THR A 100 2.852 -10.734 -4.117 1.00 20.11 N ATOM 1612 CA THR A 100 2.071 -9.606 -4.648 1.00 65.15 C ATOM 1613 C THR A 100 0.569 -9.754 -4.344 1.00 61.11 C ATOM 1614 O THR A 100 0.020 -10.854 -4.387 1.00 43.13 O ATOM 1615 CB THR A 100 2.267 -9.470 -6.182 1.00 41.33 C ATOM 1616 OG1 THR A 100 3.671 -9.391 -6.499 1.00 20.13 O ATOM 1617 CG2 THR A 100 1.551 -8.236 -6.730 1.00 53.13 C ATOM 0 H THR A 100 2.462 -11.653 -4.327 1.00 20.11 H new ATOM 0 HA THR A 100 2.440 -8.709 -4.151 1.00 65.15 H new ATOM 0 HB THR A 100 1.834 -10.354 -6.650 1.00 41.33 H new ATOM 0 HG1 THR A 100 3.944 -8.451 -6.543 1.00 20.13 H new ATOM 0 HG21 THR A 100 1.709 -8.172 -7.807 1.00 53.13 H new ATOM 0 HG22 THR A 100 0.483 -8.313 -6.524 1.00 53.13 H new ATOM 0 HG23 THR A 100 1.949 -7.342 -6.251 1.00 53.13 H new ATOM 1625 N CYS A 101 -0.091 -8.637 -4.030 1.00 52.51 N ATOM 1626 CA CYS A 101 -1.540 -8.634 -3.752 1.00 74.32 C ATOM 1627 C CYS A 101 -2.212 -7.366 -4.305 1.00 31.14 C ATOM 1628 O CYS A 101 -1.535 -6.416 -4.704 1.00 14.11 O ATOM 1629 CB CYS A 101 -1.800 -8.743 -2.244 1.00 42.22 C ATOM 1630 SG CYS A 101 -3.552 -8.818 -1.799 1.00 65.33 S ATOM 0 H CYS A 101 0.350 -7.720 -3.960 1.00 52.51 H new ATOM 0 HA CYS A 101 -1.973 -9.500 -4.253 1.00 74.32 H new ATOM 0 HB2 CYS A 101 -1.301 -9.635 -1.864 1.00 42.22 H new ATOM 0 HB3 CYS A 101 -1.346 -7.887 -1.745 1.00 42.22 H new ATOM 0 HG CYS A 101 -3.719 -9.679 -0.839 1.00 65.33 H new ATOM 1636 N ASN A 102 -3.545 -7.349 -4.323 1.00 51.33 N ATOM 1637 CA ASN A 102 -4.300 -6.213 -4.869 1.00 10.12 C ATOM 1638 C ASN A 102 -5.107 -5.481 -3.783 1.00 3.04 C ATOM 1639 O ASN A 102 -5.534 -6.075 -2.795 1.00 74.21 O ATOM 1640 CB ASN A 102 -5.246 -6.683 -5.984 1.00 44.23 C ATOM 1641 CG ASN A 102 -4.516 -7.272 -7.183 1.00 73.45 C ATOM 1642 OD1 ASN A 102 -5.026 -8.155 -7.862 1.00 65.51 O ATOM 1643 ND2 ASN A 102 -3.325 -6.779 -7.473 1.00 23.24 N ATOM 0 H ASN A 102 -4.127 -8.107 -3.967 1.00 51.33 H new ATOM 0 HA ASN A 102 -3.572 -5.512 -5.277 1.00 10.12 H new ATOM 0 HB2 ASN A 102 -5.930 -7.430 -5.580 1.00 44.23 H new ATOM 0 HB3 ASN A 102 -5.854 -5.841 -6.315 1.00 44.23 H new ATOM 0 HD21 ASN A 102 -2.809 -7.133 -8.278 1.00 23.24 H new ATOM 0 HD22 ASN A 102 -2.922 -6.044 -6.892 1.00 23.24 H new ATOM 1650 N THR A 103 -5.311 -4.184 -3.991 1.00 40.25 N ATOM 1651 CA THR A 103 -6.076 -3.335 -3.068 1.00 75.01 C ATOM 1652 C THR A 103 -6.955 -2.361 -3.855 1.00 21.24 C ATOM 1653 O THR A 103 -6.597 -1.959 -4.956 1.00 11.33 O ATOM 1654 CB THR A 103 -5.139 -2.515 -2.144 1.00 22.01 C ATOM 1655 OG1 THR A 103 -4.211 -3.382 -1.479 1.00 33.44 O ATOM 1656 CG2 THR A 103 -5.933 -1.727 -1.106 1.00 53.33 C ATOM 0 H THR A 103 -4.952 -3.685 -4.805 1.00 40.25 H new ATOM 0 HA THR A 103 -6.693 -3.993 -2.456 1.00 75.01 H new ATOM 0 HB THR A 103 -4.593 -1.809 -2.771 1.00 22.01 H new ATOM 0 HG1 THR A 103 -3.300 -3.042 -1.601 1.00 33.44 H new ATOM 0 HG21 THR A 103 -5.247 -1.163 -0.474 1.00 53.33 H new ATOM 0 HG22 THR A 103 -6.610 -1.038 -1.612 1.00 53.33 H new ATOM 0 HG23 THR A 103 -6.510 -2.416 -0.490 1.00 53.33 H new ATOM 1664 N ARG A 104 -8.109 -1.991 -3.314 1.00 70.34 N ATOM 1665 CA ARG A 104 -8.982 -1.019 -3.984 1.00 22.11 C ATOM 1666 C ARG A 104 -9.164 0.257 -3.147 1.00 44.13 C ATOM 1667 O ARG A 104 -9.233 0.207 -1.920 1.00 73.32 O ATOM 1668 CB ARG A 104 -10.349 -1.648 -4.293 1.00 24.40 C ATOM 1669 CG ARG A 104 -11.337 -0.673 -4.928 1.00 15.50 C ATOM 1670 CD ARG A 104 -12.633 -1.354 -5.350 1.00 45.10 C ATOM 1671 NE ARG A 104 -13.618 -0.382 -5.818 1.00 32.31 N ATOM 1672 CZ ARG A 104 -14.579 -0.649 -6.649 1.00 35.41 C ATOM 1673 NH1 ARG A 104 -14.772 -1.857 -7.066 1.00 4.21 N ATOM 1674 NH2 ARG A 104 -15.373 0.295 -7.029 1.00 40.12 N ATOM 0 H ARG A 104 -8.464 -2.341 -2.424 1.00 70.34 H new ATOM 0 HA ARG A 104 -8.498 -0.737 -4.919 1.00 22.11 H new ATOM 0 HB2 ARG A 104 -10.207 -2.497 -4.962 1.00 24.40 H new ATOM 0 HB3 ARG A 104 -10.778 -2.038 -3.370 1.00 24.40 H new ATOM 0 HG2 ARG A 104 -11.562 0.125 -4.220 1.00 15.50 H new ATOM 0 HG3 ARG A 104 -10.875 -0.206 -5.798 1.00 15.50 H new ATOM 0 HD2 ARG A 104 -12.426 -2.075 -6.141 1.00 45.10 H new ATOM 0 HD3 ARG A 104 -13.043 -1.913 -4.509 1.00 45.10 H new ATOM 0 HE ARG A 104 -13.546 0.573 -5.467 1.00 32.31 H new ATOM 0 HH11 ARG A 104 -14.166 -2.611 -6.742 1.00 4.21 H new ATOM 0 HH12 ARG A 104 -15.530 -2.056 -7.719 1.00 4.21 H new ATOM 0 HH21 ARG A 104 -15.243 1.243 -6.677 1.00 40.12 H new ATOM 0 HH22 ARG A 104 -16.130 0.093 -7.682 1.00 40.12 H new ATOM 1688 N LEU A 105 -9.234 1.399 -3.824 1.00 41.05 N ATOM 1689 CA LEU A 105 -9.499 2.684 -3.169 1.00 43.34 C ATOM 1690 C LEU A 105 -10.557 3.477 -3.951 1.00 15.41 C ATOM 1691 O LEU A 105 -10.375 3.764 -5.138 1.00 11.13 O ATOM 1692 CB LEU A 105 -8.205 3.508 -3.056 1.00 71.22 C ATOM 1693 CG LEU A 105 -8.341 4.848 -2.314 1.00 64.32 C ATOM 1694 CD1 LEU A 105 -8.714 4.616 -0.853 1.00 63.23 C ATOM 1695 CD2 LEU A 105 -7.055 5.664 -2.429 1.00 42.14 C ATOM 0 H LEU A 105 -9.110 1.465 -4.834 1.00 41.05 H new ATOM 0 HA LEU A 105 -9.878 2.484 -2.167 1.00 43.34 H new ATOM 0 HB2 LEU A 105 -7.453 2.905 -2.547 1.00 71.22 H new ATOM 0 HB3 LEU A 105 -7.830 3.704 -4.060 1.00 71.22 H new ATOM 0 HG LEU A 105 -9.143 5.420 -2.781 1.00 64.32 H new ATOM 0 HD11 LEU A 105 -8.806 5.576 -0.344 1.00 63.23 H new ATOM 0 HD12 LEU A 105 -9.664 4.085 -0.800 1.00 63.23 H new ATOM 0 HD13 LEU A 105 -7.939 4.022 -0.370 1.00 63.23 H new ATOM 0 HD21 LEU A 105 -7.174 6.608 -1.897 1.00 42.14 H new ATOM 0 HD22 LEU A 105 -6.228 5.103 -1.993 1.00 42.14 H new ATOM 0 HD23 LEU A 105 -6.844 5.864 -3.479 1.00 42.14 H new ATOM 1707 N ASP A 106 -11.658 3.828 -3.285 1.00 41.05 N ATOM 1708 CA ASP A 106 -12.748 4.568 -3.928 1.00 10.53 C ATOM 1709 C ASP A 106 -12.835 6.011 -3.418 1.00 13.14 C ATOM 1710 O ASP A 106 -12.603 6.289 -2.239 1.00 24.31 O ATOM 1711 CB ASP A 106 -14.091 3.876 -3.683 1.00 34.33 C ATOM 1712 CG ASP A 106 -14.183 2.516 -4.344 1.00 60.31 C ATOM 1713 OD1 ASP A 106 -14.344 2.461 -5.582 1.00 50.34 O ATOM 1714 OD2 ASP A 106 -14.112 1.497 -3.627 1.00 42.24 O ATOM 0 H ASP A 106 -11.820 3.613 -2.301 1.00 41.05 H new ATOM 0 HA ASP A 106 -12.529 4.586 -4.996 1.00 10.53 H new ATOM 0 HB2 ASP A 106 -14.246 3.764 -2.610 1.00 34.33 H new ATOM 0 HB3 ASP A 106 -14.895 4.511 -4.056 1.00 34.33 H new ATOM 1719 N VAL A 107 -13.187 6.923 -4.315 1.00 11.41 N ATOM 1720 CA VAL A 107 -13.441 8.316 -3.949 1.00 43.14 C ATOM 1721 C VAL A 107 -14.851 8.734 -4.390 1.00 71.23 C ATOM 1722 O VAL A 107 -15.331 8.314 -5.445 1.00 12.23 O ATOM 1723 CB VAL A 107 -12.398 9.276 -4.575 1.00 71.34 C ATOM 1724 CG1 VAL A 107 -12.653 10.715 -4.133 1.00 41.05 C ATOM 1725 CG2 VAL A 107 -10.977 8.841 -4.217 1.00 53.41 C ATOM 0 H VAL A 107 -13.304 6.724 -5.308 1.00 11.41 H new ATOM 0 HA VAL A 107 -13.358 8.386 -2.864 1.00 43.14 H new ATOM 0 HB VAL A 107 -12.503 9.231 -5.659 1.00 71.34 H new ATOM 0 HG11 VAL A 107 -11.909 11.371 -4.584 1.00 41.05 H new ATOM 0 HG12 VAL A 107 -13.649 11.022 -4.451 1.00 41.05 H new ATOM 0 HG13 VAL A 107 -12.583 10.780 -3.047 1.00 41.05 H new ATOM 0 HG21 VAL A 107 -10.262 9.529 -4.667 1.00 53.41 H new ATOM 0 HG22 VAL A 107 -10.856 8.849 -3.134 1.00 53.41 H new ATOM 0 HG23 VAL A 107 -10.799 7.834 -4.595 1.00 53.41 H new ATOM 1735 N THR A 108 -15.503 9.559 -3.580 1.00 5.24 N ATOM 1736 CA THR A 108 -16.871 10.009 -3.857 1.00 0.15 C ATOM 1737 C THR A 108 -16.915 11.528 -4.061 1.00 54.33 C ATOM 1738 O THR A 108 -16.156 12.273 -3.432 1.00 1.04 O ATOM 1739 CB THR A 108 -17.839 9.628 -2.705 1.00 62.00 C ATOM 1740 OG1 THR A 108 -17.722 8.229 -2.393 1.00 72.05 O ATOM 1741 CG2 THR A 108 -19.289 9.945 -3.067 1.00 32.22 C ATOM 0 H THR A 108 -15.107 9.935 -2.719 1.00 5.24 H new ATOM 0 HA THR A 108 -17.192 9.507 -4.770 1.00 0.15 H new ATOM 0 HB THR A 108 -17.560 10.222 -1.834 1.00 62.00 H new ATOM 0 HG1 THR A 108 -18.337 8.004 -1.664 1.00 72.05 H new ATOM 0 HG21 THR A 108 -19.940 9.666 -2.239 1.00 32.22 H new ATOM 0 HG22 THR A 108 -19.390 11.012 -3.264 1.00 32.22 H new ATOM 0 HG23 THR A 108 -19.573 9.383 -3.957 1.00 32.22 H new ATOM 1749 N ALA A 109 -17.813 11.984 -4.927 1.00 1.10 N ATOM 1750 CA ALA A 109 -17.931 13.409 -5.240 1.00 74.01 C ATOM 1751 C ALA A 109 -18.609 14.188 -4.105 1.00 14.43 C ATOM 1752 O ALA A 109 -19.687 13.819 -3.629 1.00 23.32 O ATOM 1753 CB ALA A 109 -18.699 13.594 -6.542 1.00 34.33 C ATOM 0 H ALA A 109 -18.473 11.388 -5.427 1.00 1.10 H new ATOM 0 HA ALA A 109 -16.924 13.810 -5.355 1.00 74.01 H new ATOM 0 HB1 ALA A 109 -18.782 14.657 -6.767 1.00 34.33 H new ATOM 0 HB2 ALA A 109 -18.169 13.092 -7.351 1.00 34.33 H new ATOM 0 HB3 ALA A 109 -19.696 13.166 -6.440 1.00 34.33 H new