USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 785 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 88 SER OG : rot -128:sc= -0.22 USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0.00466 USER MOD Set 2.1: A 85 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 97 THR OG1 : rot 66:sc= 1.02 USER MOD Set 3.1: A 18 MET CE :methyl 160:sc= -0.0306 (180deg=-0.29) USER MOD Set 3.2: A 60 SER OG : rot 68:sc= 0.675 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00687 USER MOD Single : A 17 GLN : amide:sc= -0.0794 X(o=-0.079,f=-0.079) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= 0.564 (180deg=0.48) USER MOD Single : A 26 THR OG1 : rot 75:sc= 0.00527 USER MOD Single : A 29 TYR OH : rot 1:sc= 0.349 USER MOD Single : A 33 SER OG : rot 180:sc= 0.349 USER MOD Single : A 43 SER OG : rot -124:sc= 0.981 USER MOD Single : A 46 HIS : no HD1:sc= -3.62! C(o=-3.6!,f=-4.9!) USER MOD Single : A 47 HIS : no HD1:sc= -0.535 X(o=-0.53,f=-0.1) USER MOD Single : A 48 GLN : amide:sc= -0.0125 X(o=-0.012,f=-0.012) USER MOD Single : A 56 CYS SG : rot -24:sc=-0.00311 USER MOD Single : A 58 THR OG1 : rot -44:sc= 1.25 USER MOD Single : A 59 LYS NZ :NH3+ 136:sc= 0.168 (180deg=-0.376) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00232 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 47:sc= 0.0829 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -1.22 K(o=-1.2,f=-7.9!) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.14 F(o=-2.7!,f=-0.14) USER MOD Single : A 79 LYS NZ :NH3+ -155:sc= 0.412 (180deg=0.206) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.219 F(o=-0.75,f=-0.22) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 217 N ALA A 14 -2.310 17.671 4.096 1.00 33.24 N ATOM 218 CA ALA A 14 -2.295 16.213 4.297 1.00 72.00 C ATOM 219 C ALA A 14 -0.907 15.627 4.042 1.00 1.51 C ATOM 220 O ALA A 14 -0.558 14.661 4.687 1.00 4.13 O ATOM 221 CB ALA A 14 -3.337 15.516 3.411 1.00 1.45 C ATOM 0 HA ALA A 14 -2.555 16.032 5.340 1.00 72.00 H new ATOM 0 HB1 ALA A 14 -3.300 14.440 3.583 1.00 1.45 H new ATOM 0 HB2 ALA A 14 -4.331 15.889 3.657 1.00 1.45 H new ATOM 0 HB3 ALA A 14 -3.120 15.723 2.363 1.00 1.45 H new ATOM 227 N THR A 15 -0.111 16.282 3.164 1.00 13.41 N ATOM 228 CA THR A 15 1.224 15.815 2.735 1.00 23.14 C ATOM 229 C THR A 15 2.081 15.299 3.914 1.00 3.31 C ATOM 230 O THR A 15 2.343 14.106 3.987 1.00 73.24 O ATOM 231 CB THR A 15 1.985 16.968 1.994 1.00 32.43 C ATOM 232 OG1 THR A 15 1.122 17.541 0.976 1.00 2.43 O ATOM 233 CG2 THR A 15 3.312 16.509 1.354 1.00 11.01 C ATOM 0 H THR A 15 -0.385 17.163 2.729 1.00 13.41 H new ATOM 0 HA THR A 15 1.065 14.976 2.057 1.00 23.14 H new ATOM 0 HB THR A 15 2.242 17.714 2.746 1.00 32.43 H new ATOM 0 HG1 THR A 15 1.596 18.263 0.513 1.00 2.43 H new ATOM 0 HG21 THR A 15 3.788 17.355 0.858 1.00 11.01 H new ATOM 0 HG22 THR A 15 3.975 16.123 2.128 1.00 11.01 H new ATOM 0 HG23 THR A 15 3.112 15.725 0.623 1.00 11.01 H new ATOM 241 N ALA A 16 2.403 16.203 4.861 1.00 42.12 N ATOM 242 CA ALA A 16 3.356 15.934 5.976 1.00 41.34 C ATOM 243 C ALA A 16 2.895 14.757 6.886 1.00 10.32 C ATOM 244 O ALA A 16 3.686 13.848 7.195 1.00 11.22 O ATOM 245 CB ALA A 16 3.525 17.207 6.814 1.00 35.02 C ATOM 0 H ALA A 16 2.013 17.145 4.881 1.00 42.12 H new ATOM 0 HA ALA A 16 4.308 15.640 5.534 1.00 41.34 H new ATOM 0 HB1 ALA A 16 4.221 17.015 7.631 1.00 35.02 H new ATOM 0 HB2 ALA A 16 3.915 18.007 6.185 1.00 35.02 H new ATOM 0 HB3 ALA A 16 2.559 17.504 7.223 1.00 35.02 H new ATOM 251 N GLN A 17 1.610 14.771 7.289 1.00 31.14 N ATOM 252 CA GLN A 17 1.065 13.821 8.279 1.00 54.42 C ATOM 253 C GLN A 17 0.733 12.458 7.628 1.00 32.10 C ATOM 254 O GLN A 17 1.042 11.399 8.200 1.00 34.32 O ATOM 255 CB GLN A 17 -0.182 14.429 8.973 1.00 21.44 C ATOM 256 CG GLN A 17 0.119 15.716 9.769 1.00 62.50 C ATOM 257 CD GLN A 17 1.209 15.557 10.847 1.00 10.24 C ATOM 258 OE1 GLN A 17 2.389 15.825 10.597 1.00 21.41 O ATOM 259 NE2 GLN A 17 0.838 15.090 12.031 1.00 73.02 N ATOM 0 H GLN A 17 0.922 15.438 6.939 1.00 31.14 H new ATOM 0 HA GLN A 17 1.828 13.640 9.036 1.00 54.42 H new ATOM 0 HB2 GLN A 17 -0.937 14.647 8.218 1.00 21.44 H new ATOM 0 HB3 GLN A 17 -0.610 13.687 9.647 1.00 21.44 H new ATOM 0 HG2 GLN A 17 0.425 16.496 9.072 1.00 62.50 H new ATOM 0 HG3 GLN A 17 -0.800 16.057 10.246 1.00 62.50 H new ATOM 0 HE21 GLN A 17 -0.143 14.877 12.211 1.00 73.02 H new ATOM 0 HE22 GLN A 17 1.534 14.944 12.762 1.00 73.02 H new ATOM 268 N MET A 18 0.096 12.506 6.436 1.00 51.13 N ATOM 269 CA MET A 18 -0.144 11.310 5.587 1.00 13.43 C ATOM 270 C MET A 18 1.200 10.596 5.307 1.00 54.33 C ATOM 271 O MET A 18 1.292 9.366 5.412 1.00 71.24 O ATOM 272 CB MET A 18 -0.795 11.710 4.236 1.00 62.31 C ATOM 273 CG MET A 18 -1.119 10.557 3.279 1.00 71.50 C ATOM 274 SD MET A 18 -1.247 11.108 1.570 1.00 73.25 S ATOM 275 CE MET A 18 0.487 11.417 1.166 1.00 44.20 C ATOM 0 H MET A 18 -0.266 13.371 6.034 1.00 51.13 H new ATOM 0 HA MET A 18 -0.822 10.643 6.120 1.00 13.43 H new ATOM 0 HB2 MET A 18 -1.717 12.252 4.446 1.00 62.31 H new ATOM 0 HB3 MET A 18 -0.127 12.404 3.725 1.00 62.31 H new ATOM 0 HG2 MET A 18 -0.344 9.794 3.356 1.00 71.50 H new ATOM 0 HG3 MET A 18 -2.057 10.090 3.580 1.00 71.50 H new ATOM 0 HE1 MET A 18 0.614 11.415 0.083 1.00 44.20 H new ATOM 0 HE2 MET A 18 0.786 12.386 1.565 1.00 44.20 H new ATOM 0 HE3 MET A 18 1.108 10.636 1.605 1.00 44.20 H new ATOM 285 N GLU A 19 2.228 11.404 4.977 1.00 41.12 N ATOM 286 CA GLU A 19 3.589 10.929 4.694 1.00 50.24 C ATOM 287 C GLU A 19 4.203 10.302 5.941 1.00 15.24 C ATOM 288 O GLU A 19 4.781 9.242 5.838 1.00 4.30 O ATOM 289 CB GLU A 19 4.494 12.082 4.212 1.00 41.25 C ATOM 290 CG GLU A 19 5.843 11.607 3.668 1.00 60.03 C ATOM 291 CD GLU A 19 6.837 12.730 3.322 1.00 44.32 C ATOM 292 OE1 GLU A 19 6.417 13.818 2.853 1.00 22.42 O ATOM 293 OE2 GLU A 19 8.055 12.507 3.497 1.00 41.04 O ATOM 0 H GLU A 19 2.130 12.416 4.900 1.00 41.12 H new ATOM 0 HA GLU A 19 3.518 10.182 3.903 1.00 50.24 H new ATOM 0 HB2 GLU A 19 3.974 12.642 3.435 1.00 41.25 H new ATOM 0 HB3 GLU A 19 4.666 12.770 5.040 1.00 41.25 H new ATOM 0 HG2 GLU A 19 6.304 10.949 4.405 1.00 60.03 H new ATOM 0 HG3 GLU A 19 5.667 11.010 2.773 1.00 60.03 H new ATOM 300 N GLU A 20 4.073 10.956 7.114 1.00 70.34 N ATOM 301 CA GLU A 20 4.636 10.436 8.387 1.00 32.33 C ATOM 302 C GLU A 20 3.974 9.101 8.802 1.00 74.40 C ATOM 303 O GLU A 20 4.626 8.249 9.408 1.00 22.51 O ATOM 304 CB GLU A 20 4.527 11.513 9.526 1.00 55.23 C ATOM 305 CG GLU A 20 5.881 12.106 9.996 1.00 2.54 C ATOM 306 CD GLU A 20 6.784 11.066 10.699 1.00 23.32 C ATOM 307 OE1 GLU A 20 6.382 10.558 11.772 1.00 41.20 O ATOM 308 OE2 GLU A 20 7.904 10.767 10.202 1.00 51.54 O ATOM 0 H GLU A 20 3.584 11.846 7.210 1.00 70.34 H new ATOM 0 HA GLU A 20 5.693 10.228 8.222 1.00 32.33 H new ATOM 0 HB2 GLU A 20 3.892 12.327 9.177 1.00 55.23 H new ATOM 0 HB3 GLU A 20 4.026 11.064 10.384 1.00 55.23 H new ATOM 0 HG2 GLU A 20 6.410 12.516 9.136 1.00 2.54 H new ATOM 0 HG3 GLU A 20 5.691 12.935 10.678 1.00 2.54 H new ATOM 315 N LYS A 21 2.685 8.934 8.467 1.00 72.05 N ATOM 316 CA LYS A 21 1.955 7.671 8.709 1.00 40.33 C ATOM 317 C LYS A 21 2.316 6.617 7.634 1.00 64.03 C ATOM 318 O LYS A 21 2.313 5.415 7.913 1.00 64.12 O ATOM 319 CB LYS A 21 0.426 7.941 8.775 1.00 61.10 C ATOM 320 CG LYS A 21 -0.479 6.700 9.019 1.00 34.43 C ATOM 321 CD LYS A 21 -0.065 5.831 10.238 1.00 52.13 C ATOM 322 CE LYS A 21 -0.123 6.572 11.590 1.00 74.52 C ATOM 323 NZ LYS A 21 0.331 5.704 12.717 1.00 33.44 N ATOM 0 H LYS A 21 2.121 9.660 8.025 1.00 72.05 H new ATOM 0 HA LYS A 21 2.259 7.261 9.672 1.00 40.33 H new ATOM 0 HB2 LYS A 21 0.239 8.663 9.570 1.00 61.10 H new ATOM 0 HB3 LYS A 21 0.120 8.410 7.840 1.00 61.10 H new ATOM 0 HG2 LYS A 21 -1.506 7.037 9.161 1.00 34.43 H new ATOM 0 HG3 LYS A 21 -0.469 6.077 8.125 1.00 34.43 H new ATOM 0 HD2 LYS A 21 -0.716 4.958 10.286 1.00 52.13 H new ATOM 0 HD3 LYS A 21 0.949 5.464 10.081 1.00 52.13 H new ATOM 0 HE2 LYS A 21 0.502 7.464 11.543 1.00 74.52 H new ATOM 0 HE3 LYS A 21 -1.143 6.907 11.777 1.00 74.52 H new ATOM 0 HZ1 LYS A 21 0.505 6.290 13.558 1.00 33.44 H new ATOM 0 HZ2 LYS A 21 -0.404 5.001 12.931 1.00 33.44 H new ATOM 0 HZ3 LYS A 21 1.209 5.216 12.447 1.00 33.44 H new ATOM 337 N LEU A 22 2.643 7.091 6.419 1.00 63.12 N ATOM 338 CA LEU A 22 3.159 6.239 5.322 1.00 51.20 C ATOM 339 C LEU A 22 4.563 5.750 5.716 1.00 40.01 C ATOM 340 O LEU A 22 4.928 4.593 5.479 1.00 22.25 O ATOM 341 CB LEU A 22 3.181 7.053 3.980 1.00 13.13 C ATOM 342 CG LEU A 22 3.225 6.259 2.619 1.00 34.23 C ATOM 343 CD1 LEU A 22 2.942 7.209 1.428 1.00 33.21 C ATOM 344 CD2 LEU A 22 4.561 5.501 2.407 1.00 12.53 C ATOM 0 H LEU A 22 2.559 8.075 6.165 1.00 63.12 H new ATOM 0 HA LEU A 22 2.514 5.375 5.164 1.00 51.20 H new ATOM 0 HB2 LEU A 22 2.296 7.689 3.964 1.00 13.13 H new ATOM 0 HB3 LEU A 22 4.048 7.713 4.007 1.00 13.13 H new ATOM 0 HG LEU A 22 2.441 5.503 2.669 1.00 34.23 H new ATOM 0 HD11 LEU A 22 2.976 6.644 0.496 1.00 33.21 H new ATOM 0 HD12 LEU A 22 1.955 7.656 1.546 1.00 33.21 H new ATOM 0 HD13 LEU A 22 3.696 7.996 1.403 1.00 33.21 H new ATOM 0 HD21 LEU A 22 4.533 4.973 1.454 1.00 12.53 H new ATOM 0 HD22 LEU A 22 5.387 6.213 2.403 1.00 12.53 H new ATOM 0 HD23 LEU A 22 4.704 4.783 3.215 1.00 12.53 H new ATOM 356 N ARG A 23 5.318 6.650 6.364 1.00 33.43 N ATOM 357 CA ARG A 23 6.656 6.363 6.864 1.00 40.24 C ATOM 358 C ARG A 23 6.536 5.294 7.954 1.00 20.14 C ATOM 359 O ARG A 23 7.151 4.259 7.843 1.00 0.10 O ATOM 360 CB ARG A 23 7.353 7.633 7.429 1.00 32.24 C ATOM 361 CG ARG A 23 7.734 8.737 6.402 1.00 54.30 C ATOM 362 CD ARG A 23 8.371 9.947 7.110 1.00 64.31 C ATOM 363 NE ARG A 23 8.469 11.178 6.299 1.00 70.02 N ATOM 364 CZ ARG A 23 8.800 12.389 6.805 1.00 1.42 C ATOM 365 NH1 ARG A 23 9.055 12.531 8.110 1.00 73.20 N ATOM 366 NH2 ARG A 23 8.872 13.452 6.015 1.00 5.23 N ATOM 0 H ARG A 23 5.008 7.603 6.553 1.00 33.43 H new ATOM 0 HA ARG A 23 7.274 6.007 6.039 1.00 40.24 H new ATOM 0 HB2 ARG A 23 6.696 8.077 8.177 1.00 32.24 H new ATOM 0 HB3 ARG A 23 8.261 7.321 7.946 1.00 32.24 H new ATOM 0 HG2 ARG A 23 8.430 8.332 5.668 1.00 54.30 H new ATOM 0 HG3 ARG A 23 6.845 9.055 5.857 1.00 54.30 H new ATOM 0 HD2 ARG A 23 7.791 10.168 8.006 1.00 64.31 H new ATOM 0 HD3 ARG A 23 9.372 9.668 7.439 1.00 64.31 H new ATOM 0 HE ARG A 23 8.276 11.111 5.300 1.00 70.02 H new ATOM 0 HH11 ARG A 23 9.001 11.724 8.731 1.00 73.20 H new ATOM 0 HH12 ARG A 23 9.304 13.447 8.484 1.00 73.20 H new ATOM 0 HH21 ARG A 23 8.677 13.361 5.018 1.00 5.23 H new ATOM 0 HH22 ARG A 23 9.122 14.361 6.405 1.00 5.23 H new ATOM 380 N ASP A 24 5.658 5.546 8.947 1.00 74.14 N ATOM 381 CA ASP A 24 5.421 4.646 10.106 1.00 30.05 C ATOM 382 C ASP A 24 5.004 3.228 9.647 1.00 74.31 C ATOM 383 O ASP A 24 5.472 2.220 10.203 1.00 5.23 O ATOM 384 CB ASP A 24 4.339 5.279 11.031 1.00 52.12 C ATOM 385 CG ASP A 24 4.022 4.455 12.297 1.00 43.01 C ATOM 386 OD1 ASP A 24 4.949 4.206 13.101 1.00 53.21 O ATOM 387 OD2 ASP A 24 2.842 4.081 12.511 1.00 13.30 O ATOM 0 H ASP A 24 5.084 6.389 8.971 1.00 74.14 H new ATOM 0 HA ASP A 24 6.351 4.536 10.664 1.00 30.05 H new ATOM 0 HB2 ASP A 24 4.672 6.272 11.332 1.00 52.12 H new ATOM 0 HB3 ASP A 24 3.421 5.411 10.459 1.00 52.12 H new ATOM 392 N PHE A 25 4.142 3.194 8.612 1.00 14.23 N ATOM 393 CA PHE A 25 3.726 1.965 7.913 1.00 65.13 C ATOM 394 C PHE A 25 4.962 1.206 7.368 1.00 5.41 C ATOM 395 O PHE A 25 5.298 0.122 7.855 1.00 4.42 O ATOM 396 CB PHE A 25 2.735 2.362 6.770 1.00 61.34 C ATOM 397 CG PHE A 25 2.259 1.232 5.846 1.00 60.25 C ATOM 398 CD1 PHE A 25 1.208 0.396 6.213 1.00 43.55 C ATOM 399 CD2 PHE A 25 2.852 1.030 4.593 1.00 44.05 C ATOM 400 CE1 PHE A 25 0.772 -0.605 5.367 1.00 72.14 C ATOM 401 CE2 PHE A 25 2.416 0.027 3.751 1.00 62.15 C ATOM 402 CZ PHE A 25 1.373 -0.791 4.137 1.00 13.34 C ATOM 0 H PHE A 25 3.708 4.036 8.233 1.00 14.23 H new ATOM 0 HA PHE A 25 3.221 1.288 8.602 1.00 65.13 H new ATOM 0 HB2 PHE A 25 1.858 2.822 7.225 1.00 61.34 H new ATOM 0 HB3 PHE A 25 3.212 3.125 6.156 1.00 61.34 H new ATOM 0 HD1 PHE A 25 0.728 0.532 7.171 1.00 43.55 H new ATOM 0 HD2 PHE A 25 3.664 1.670 4.281 1.00 44.05 H new ATOM 0 HE1 PHE A 25 -0.043 -1.246 5.669 1.00 72.14 H new ATOM 0 HE2 PHE A 25 2.890 -0.118 2.791 1.00 62.15 H new ATOM 0 HZ PHE A 25 1.028 -1.575 3.479 1.00 13.34 H new ATOM 412 N THR A 26 5.677 1.833 6.415 1.00 12.52 N ATOM 413 CA THR A 26 6.752 1.170 5.640 1.00 50.33 C ATOM 414 C THR A 26 8.081 1.016 6.454 1.00 13.04 C ATOM 415 O THR A 26 8.959 0.241 6.075 1.00 60.44 O ATOM 416 CB THR A 26 7.004 1.937 4.294 1.00 4.12 C ATOM 417 OG1 THR A 26 5.756 2.423 3.775 1.00 4.31 O ATOM 418 CG2 THR A 26 7.646 1.029 3.224 1.00 21.31 C ATOM 0 H THR A 26 5.530 2.809 6.159 1.00 12.52 H new ATOM 0 HA THR A 26 6.410 0.160 5.417 1.00 50.33 H new ATOM 0 HB THR A 26 7.686 2.758 4.513 1.00 4.12 H new ATOM 0 HG1 THR A 26 5.461 3.195 4.301 1.00 4.31 H new ATOM 0 HG21 THR A 26 7.803 1.600 2.309 1.00 21.31 H new ATOM 0 HG22 THR A 26 8.604 0.658 3.589 1.00 21.31 H new ATOM 0 HG23 THR A 26 6.985 0.187 3.017 1.00 21.31 H new ATOM 426 N ARG A 27 8.213 1.759 7.574 1.00 14.12 N ATOM 427 CA ARG A 27 9.405 1.685 8.471 1.00 33.05 C ATOM 428 C ARG A 27 9.359 0.420 9.328 1.00 70.14 C ATOM 429 O ARG A 27 10.396 -0.051 9.804 1.00 20.24 O ATOM 430 CB ARG A 27 9.500 2.931 9.415 1.00 13.14 C ATOM 431 CG ARG A 27 10.107 4.201 8.771 1.00 40.24 C ATOM 432 CD ARG A 27 10.127 5.410 9.733 1.00 24.42 C ATOM 433 NE ARG A 27 10.751 6.603 9.114 1.00 62.33 N ATOM 434 CZ ARG A 27 10.462 7.887 9.410 1.00 53.41 C ATOM 435 NH1 ARG A 27 9.544 8.209 10.327 1.00 4.53 N ATOM 436 NH2 ARG A 27 11.100 8.859 8.763 1.00 52.40 N ATOM 0 H ARG A 27 7.506 2.425 7.887 1.00 14.12 H new ATOM 0 HA ARG A 27 10.284 1.665 7.827 1.00 33.05 H new ATOM 0 HB2 ARG A 27 8.500 3.169 9.777 1.00 13.14 H new ATOM 0 HB3 ARG A 27 10.099 2.663 10.285 1.00 13.14 H new ATOM 0 HG2 ARG A 27 11.124 3.986 8.444 1.00 40.24 H new ATOM 0 HG3 ARG A 27 9.534 4.460 7.881 1.00 40.24 H new ATOM 0 HD2 ARG A 27 9.107 5.650 10.035 1.00 24.42 H new ATOM 0 HD3 ARG A 27 10.673 5.144 10.638 1.00 24.42 H new ATOM 0 HE ARG A 27 11.462 6.439 8.401 1.00 62.33 H new ATOM 0 HH11 ARG A 27 9.040 7.474 10.824 1.00 4.53 H new ATOM 0 HH12 ARG A 27 9.347 9.189 10.529 1.00 4.53 H new ATOM 0 HH21 ARG A 27 11.797 8.628 8.054 1.00 52.40 H new ATOM 0 HH22 ARG A 27 10.893 9.835 8.976 1.00 52.40 H new ATOM 450 N ALA A 28 8.147 -0.105 9.541 1.00 30.34 N ATOM 451 CA ALA A 28 7.927 -1.279 10.389 1.00 23.54 C ATOM 452 C ALA A 28 8.527 -2.553 9.761 1.00 24.42 C ATOM 453 O ALA A 28 8.959 -3.447 10.492 1.00 32.15 O ATOM 454 CB ALA A 28 6.421 -1.458 10.673 1.00 55.41 C ATOM 0 H ALA A 28 7.293 0.272 9.130 1.00 30.34 H new ATOM 0 HA ALA A 28 8.442 -1.113 11.335 1.00 23.54 H new ATOM 0 HB1 ALA A 28 6.271 -2.334 11.304 1.00 55.41 H new ATOM 0 HB2 ALA A 28 6.039 -0.574 11.183 1.00 55.41 H new ATOM 0 HB3 ALA A 28 5.887 -1.593 9.732 1.00 55.41 H new ATOM 460 N TYR A 29 8.582 -2.616 8.409 1.00 13.30 N ATOM 461 CA TYR A 29 8.931 -3.861 7.688 1.00 2.33 C ATOM 462 C TYR A 29 9.420 -3.624 6.236 1.00 52.10 C ATOM 463 O TYR A 29 9.344 -2.518 5.696 1.00 33.33 O ATOM 464 CB TYR A 29 7.702 -4.831 7.707 1.00 64.00 C ATOM 465 CG TYR A 29 6.327 -4.148 7.631 1.00 70.34 C ATOM 466 CD1 TYR A 29 6.021 -3.239 6.620 1.00 23.42 C ATOM 467 CD2 TYR A 29 5.344 -4.397 8.596 1.00 55.43 C ATOM 468 CE1 TYR A 29 4.800 -2.608 6.575 1.00 20.42 C ATOM 469 CE2 TYR A 29 4.122 -3.772 8.547 1.00 4.23 C ATOM 470 CZ TYR A 29 3.854 -2.878 7.545 1.00 11.12 C ATOM 471 OH TYR A 29 2.634 -2.246 7.512 1.00 53.12 O ATOM 0 H TYR A 29 8.390 -1.822 7.799 1.00 13.30 H new ATOM 0 HA TYR A 29 9.775 -4.309 8.212 1.00 2.33 H new ATOM 0 HB2 TYR A 29 7.793 -5.523 6.870 1.00 64.00 H new ATOM 0 HB3 TYR A 29 7.744 -5.427 8.619 1.00 64.00 H new ATOM 0 HD1 TYR A 29 6.756 -3.026 5.858 1.00 23.42 H new ATOM 0 HD2 TYR A 29 5.551 -5.094 9.395 1.00 55.43 H new ATOM 0 HE1 TYR A 29 4.582 -1.905 5.785 1.00 20.42 H new ATOM 0 HE2 TYR A 29 3.374 -3.985 9.297 1.00 4.23 H new ATOM 0 HH TYR A 29 2.594 -1.652 6.733 1.00 53.12 H new ATOM 481 N GLU A 30 9.924 -4.726 5.646 1.00 51.43 N ATOM 482 CA GLU A 30 10.379 -4.823 4.238 1.00 71.14 C ATOM 483 C GLU A 30 9.746 -6.106 3.616 1.00 20.34 C ATOM 484 O GLU A 30 9.047 -6.838 4.340 1.00 31.41 O ATOM 485 CB GLU A 30 11.940 -4.899 4.179 1.00 4.30 C ATOM 486 CG GLU A 30 12.710 -3.686 4.770 1.00 42.31 C ATOM 487 CD GLU A 30 12.614 -2.361 3.972 1.00 23.20 C ATOM 488 OE1 GLU A 30 11.993 -2.308 2.879 1.00 41.05 O ATOM 489 OE2 GLU A 30 13.195 -1.358 4.434 1.00 74.43 O ATOM 0 H GLU A 30 10.031 -5.606 6.151 1.00 51.43 H new ATOM 0 HA GLU A 30 10.067 -3.942 3.677 1.00 71.14 H new ATOM 0 HB2 GLU A 30 12.259 -5.797 4.707 1.00 4.30 H new ATOM 0 HB3 GLU A 30 12.238 -5.019 3.137 1.00 4.30 H new ATOM 0 HG2 GLU A 30 12.342 -3.505 5.780 1.00 42.31 H new ATOM 0 HG3 GLU A 30 13.762 -3.958 4.858 1.00 42.31 H new ATOM 496 N PRO A 31 9.924 -6.413 2.276 1.00 12.10 N ATOM 497 CA PRO A 31 9.530 -7.735 1.714 1.00 30.43 C ATOM 498 C PRO A 31 10.214 -8.928 2.418 1.00 11.33 C ATOM 499 O PRO A 31 9.574 -9.932 2.733 1.00 73.22 O ATOM 500 CB PRO A 31 9.951 -7.643 0.227 1.00 1.41 C ATOM 501 CG PRO A 31 9.928 -6.178 -0.073 1.00 44.44 C ATOM 502 CD PRO A 31 10.421 -5.508 1.192 1.00 41.35 C ATOM 0 HA PRO A 31 8.466 -7.925 1.853 1.00 30.43 H new ATOM 0 HB2 PRO A 31 10.943 -8.066 0.067 1.00 1.41 H new ATOM 0 HB3 PRO A 31 9.263 -8.192 -0.416 1.00 1.41 H new ATOM 0 HG2 PRO A 31 10.570 -5.939 -0.921 1.00 44.44 H new ATOM 0 HG3 PRO A 31 8.923 -5.844 -0.330 1.00 44.44 H new ATOM 0 HD2 PRO A 31 11.508 -5.423 1.205 1.00 41.35 H new ATOM 0 HD3 PRO A 31 10.021 -4.499 1.295 1.00 41.35 H new ATOM 510 N ASP A 32 11.502 -8.757 2.691 1.00 55.43 N ATOM 511 CA ASP A 32 12.383 -9.807 3.231 1.00 31.21 C ATOM 512 C ASP A 32 12.151 -10.061 4.742 1.00 15.52 C ATOM 513 O ASP A 32 12.017 -11.214 5.173 1.00 41.32 O ATOM 514 CB ASP A 32 13.867 -9.409 2.949 1.00 42.34 C ATOM 515 CG ASP A 32 14.210 -7.966 3.401 1.00 33.40 C ATOM 516 OD1 ASP A 32 14.021 -7.024 2.593 1.00 70.33 O ATOM 517 OD2 ASP A 32 14.632 -7.769 4.562 1.00 61.43 O ATOM 0 H ASP A 32 11.981 -7.869 2.543 1.00 55.43 H new ATOM 0 HA ASP A 32 12.147 -10.746 2.731 1.00 31.21 H new ATOM 0 HB2 ASP A 32 14.527 -10.109 3.460 1.00 42.34 H new ATOM 0 HB3 ASP A 32 14.065 -9.505 1.882 1.00 42.34 H new ATOM 522 N SER A 33 12.064 -8.973 5.530 1.00 24.15 N ATOM 523 CA SER A 33 12.173 -9.020 7.005 1.00 11.30 C ATOM 524 C SER A 33 10.937 -9.629 7.728 1.00 71.14 C ATOM 525 O SER A 33 11.060 -10.075 8.879 1.00 2.04 O ATOM 526 CB SER A 33 12.491 -7.606 7.538 1.00 34.14 C ATOM 527 OG SER A 33 11.527 -6.657 7.106 1.00 15.11 O ATOM 0 H SER A 33 11.916 -8.033 5.163 1.00 24.15 H new ATOM 0 HA SER A 33 12.989 -9.705 7.235 1.00 11.30 H new ATOM 0 HB2 SER A 33 12.521 -7.625 8.627 1.00 34.14 H new ATOM 0 HB3 SER A 33 13.481 -7.302 7.197 1.00 34.14 H new ATOM 0 HG SER A 33 11.756 -5.773 7.462 1.00 15.11 H new ATOM 533 N VAL A 34 9.764 -9.658 7.068 1.00 43.10 N ATOM 534 CA VAL A 34 8.521 -10.258 7.654 1.00 42.01 C ATOM 535 C VAL A 34 8.456 -11.776 7.374 1.00 34.23 C ATOM 536 O VAL A 34 7.723 -12.505 8.049 1.00 44.40 O ATOM 537 CB VAL A 34 7.214 -9.616 7.036 1.00 31.43 C ATOM 538 CG1 VAL A 34 5.950 -9.954 7.873 1.00 43.53 C ATOM 539 CG2 VAL A 34 7.353 -8.106 6.835 1.00 42.21 C ATOM 0 H VAL A 34 9.637 -9.277 6.130 1.00 43.10 H new ATOM 0 HA VAL A 34 8.565 -10.062 8.725 1.00 42.01 H new ATOM 0 HB VAL A 34 7.086 -10.065 6.051 1.00 31.43 H new ATOM 0 HG11 VAL A 34 5.075 -9.494 7.413 1.00 43.53 H new ATOM 0 HG12 VAL A 34 5.815 -11.035 7.908 1.00 43.53 H new ATOM 0 HG13 VAL A 34 6.071 -9.571 8.886 1.00 43.53 H new ATOM 0 HG21 VAL A 34 6.432 -7.709 6.409 1.00 42.21 H new ATOM 0 HG22 VAL A 34 7.544 -7.627 7.795 1.00 42.21 H new ATOM 0 HG23 VAL A 34 8.183 -7.904 6.157 1.00 42.21 H new ATOM 549 N LEU A 35 9.338 -12.211 6.447 1.00 21.43 N ATOM 550 CA LEU A 35 9.136 -13.332 5.507 1.00 60.31 C ATOM 551 C LEU A 35 8.454 -12.750 4.242 1.00 21.40 C ATOM 552 O LEU A 35 7.567 -11.892 4.363 1.00 74.40 O ATOM 553 CB LEU A 35 8.345 -14.568 6.074 1.00 21.23 C ATOM 554 CG LEU A 35 9.106 -15.474 7.105 1.00 11.45 C ATOM 555 CD1 LEU A 35 8.196 -16.616 7.625 1.00 40.03 C ATOM 556 CD2 LEU A 35 10.426 -16.030 6.508 1.00 2.04 C ATOM 0 H LEU A 35 10.250 -11.770 6.330 1.00 21.43 H new ATOM 0 HA LEU A 35 10.116 -13.756 5.287 1.00 60.31 H new ATOM 0 HB2 LEU A 35 7.435 -14.202 6.549 1.00 21.23 H new ATOM 0 HB3 LEU A 35 8.038 -15.191 5.234 1.00 21.23 H new ATOM 0 HG LEU A 35 9.373 -14.849 7.957 1.00 11.45 H new ATOM 0 HD11 LEU A 35 8.750 -17.227 8.337 1.00 40.03 H new ATOM 0 HD12 LEU A 35 7.321 -16.189 8.116 1.00 40.03 H new ATOM 0 HD13 LEU A 35 7.876 -17.236 6.788 1.00 40.03 H new ATOM 0 HD21 LEU A 35 10.927 -16.653 7.249 1.00 2.04 H new ATOM 0 HD22 LEU A 35 10.202 -16.627 5.624 1.00 2.04 H new ATOM 0 HD23 LEU A 35 11.077 -15.201 6.231 1.00 2.04 H new ATOM 568 N PRO A 36 8.891 -13.146 3.006 1.00 63.14 N ATOM 569 CA PRO A 36 8.227 -12.711 1.745 1.00 45.23 C ATOM 570 C PRO A 36 6.874 -13.422 1.454 1.00 73.34 C ATOM 571 O PRO A 36 6.245 -13.140 0.429 1.00 71.24 O ATOM 572 CB PRO A 36 9.299 -13.018 0.678 1.00 73.03 C ATOM 573 CG PRO A 36 10.077 -14.171 1.235 1.00 42.45 C ATOM 574 CD PRO A 36 10.111 -13.962 2.731 1.00 61.32 C ATOM 0 HA PRO A 36 7.928 -11.663 1.780 1.00 45.23 H new ATOM 0 HB2 PRO A 36 8.843 -13.274 -0.278 1.00 73.03 H new ATOM 0 HB3 PRO A 36 9.942 -12.155 0.504 1.00 73.03 H new ATOM 0 HG2 PRO A 36 9.603 -15.120 0.984 1.00 42.45 H new ATOM 0 HG3 PRO A 36 11.085 -14.199 0.821 1.00 42.45 H new ATOM 0 HD2 PRO A 36 10.087 -14.910 3.268 1.00 61.32 H new ATOM 0 HD3 PRO A 36 11.018 -13.443 3.042 1.00 61.32 H new ATOM 582 N LEU A 37 6.446 -14.306 2.382 1.00 71.43 N ATOM 583 CA LEU A 37 5.155 -15.031 2.340 1.00 2.10 C ATOM 584 C LEU A 37 5.056 -15.973 1.108 1.00 11.14 C ATOM 585 O LEU A 37 4.313 -15.690 0.156 1.00 14.21 O ATOM 586 CB LEU A 37 3.902 -14.078 2.436 1.00 62.22 C ATOM 587 CG LEU A 37 3.710 -13.276 3.784 1.00 54.32 C ATOM 588 CD1 LEU A 37 4.479 -11.939 3.795 1.00 55.33 C ATOM 589 CD2 LEU A 37 2.216 -13.053 4.113 1.00 2.24 C ATOM 0 H LEU A 37 7.003 -14.542 3.203 1.00 71.43 H new ATOM 0 HA LEU A 37 5.138 -15.652 3.236 1.00 2.10 H new ATOM 0 HB2 LEU A 37 3.961 -13.358 1.620 1.00 62.22 H new ATOM 0 HB3 LEU A 37 3.007 -14.678 2.269 1.00 62.22 H new ATOM 0 HG LEU A 37 4.139 -13.900 4.568 1.00 54.32 H new ATOM 0 HD11 LEU A 37 4.311 -11.431 4.744 1.00 55.33 H new ATOM 0 HD12 LEU A 37 5.545 -12.131 3.670 1.00 55.33 H new ATOM 0 HD13 LEU A 37 4.125 -11.309 2.979 1.00 55.33 H new ATOM 0 HD21 LEU A 37 2.128 -12.498 5.047 1.00 2.24 H new ATOM 0 HD22 LEU A 37 1.747 -12.486 3.309 1.00 2.24 H new ATOM 0 HD23 LEU A 37 1.718 -14.017 4.216 1.00 2.24 H new ATOM 601 N ALA A 38 5.865 -17.064 1.135 1.00 34.41 N ATOM 602 CA ALA A 38 5.804 -18.197 0.172 1.00 51.13 C ATOM 603 C ALA A 38 6.247 -17.792 -1.247 1.00 53.11 C ATOM 604 O ALA A 38 6.972 -16.808 -1.430 1.00 40.34 O ATOM 605 CB ALA A 38 4.386 -18.833 0.162 1.00 43.02 C ATOM 0 H ALA A 38 6.592 -17.184 1.840 1.00 34.41 H new ATOM 0 HA ALA A 38 6.517 -18.947 0.514 1.00 51.13 H new ATOM 0 HB1 ALA A 38 4.363 -19.659 -0.549 1.00 43.02 H new ATOM 0 HB2 ALA A 38 4.147 -19.204 1.158 1.00 43.02 H new ATOM 0 HB3 ALA A 38 3.652 -18.082 -0.131 1.00 43.02 H new ATOM 611 N ASP A 39 5.874 -18.634 -2.232 1.00 11.54 N ATOM 612 CA ASP A 39 5.902 -18.295 -3.669 1.00 21.33 C ATOM 613 C ASP A 39 4.466 -18.004 -4.130 1.00 74.02 C ATOM 614 O ASP A 39 3.503 -18.535 -3.552 1.00 42.44 O ATOM 615 CB ASP A 39 6.455 -19.475 -4.513 1.00 14.55 C ATOM 616 CG ASP A 39 7.900 -19.865 -4.178 1.00 41.12 C ATOM 617 OD1 ASP A 39 8.843 -19.284 -4.761 1.00 14.05 O ATOM 618 OD2 ASP A 39 8.104 -20.764 -3.336 1.00 61.20 O ATOM 0 H ASP A 39 5.541 -19.581 -2.049 1.00 11.54 H new ATOM 0 HA ASP A 39 6.549 -17.429 -3.809 1.00 21.33 H new ATOM 0 HB2 ASP A 39 5.813 -20.344 -4.367 1.00 14.55 H new ATOM 0 HB3 ASP A 39 6.398 -19.210 -5.569 1.00 14.55 H new ATOM 623 N GLY A 40 4.324 -17.183 -5.183 1.00 25.24 N ATOM 624 CA GLY A 40 3.026 -16.946 -5.827 1.00 61.12 C ATOM 625 C GLY A 40 2.497 -15.533 -5.620 1.00 21.45 C ATOM 626 O GLY A 40 3.259 -14.558 -5.708 1.00 44.33 O ATOM 0 H GLY A 40 5.098 -16.671 -5.607 1.00 25.24 H new ATOM 0 HA2 GLY A 40 3.119 -17.138 -6.896 1.00 61.12 H new ATOM 0 HA3 GLY A 40 2.300 -17.659 -5.437 1.00 61.12 H new ATOM 630 N VAL A 41 1.181 -15.417 -5.325 1.00 61.22 N ATOM 631 CA VAL A 41 0.466 -14.130 -5.371 1.00 54.34 C ATOM 632 C VAL A 41 0.770 -13.250 -4.135 1.00 2.14 C ATOM 633 O VAL A 41 1.087 -12.089 -4.317 1.00 34.32 O ATOM 634 CB VAL A 41 -1.092 -14.310 -5.582 1.00 62.24 C ATOM 635 CG1 VAL A 41 -1.377 -15.234 -6.787 1.00 63.34 C ATOM 636 CG2 VAL A 41 -1.817 -14.815 -4.318 1.00 14.12 C ATOM 0 H VAL A 41 0.595 -16.206 -5.052 1.00 61.22 H new ATOM 0 HA VAL A 41 0.846 -13.604 -6.246 1.00 54.34 H new ATOM 0 HB VAL A 41 -1.495 -13.319 -5.793 1.00 62.24 H new ATOM 0 HG11 VAL A 41 -2.454 -15.344 -6.914 1.00 63.34 H new ATOM 0 HG12 VAL A 41 -0.948 -14.798 -7.689 1.00 63.34 H new ATOM 0 HG13 VAL A 41 -0.931 -16.212 -6.609 1.00 63.34 H new ATOM 0 HG21 VAL A 41 -2.882 -14.918 -4.526 1.00 14.12 H new ATOM 0 HG22 VAL A 41 -1.409 -15.783 -4.027 1.00 14.12 H new ATOM 0 HG23 VAL A 41 -1.673 -14.101 -3.507 1.00 14.12 H new ATOM 646 N LEU A 42 0.729 -13.810 -2.891 1.00 43.41 N ATOM 647 CA LEU A 42 0.940 -13.016 -1.639 1.00 42.30 C ATOM 648 C LEU A 42 2.350 -12.406 -1.611 1.00 32.02 C ATOM 649 O LEU A 42 2.555 -11.325 -1.058 1.00 44.31 O ATOM 650 CB LEU A 42 0.700 -13.849 -0.336 1.00 73.43 C ATOM 651 CG LEU A 42 -0.760 -14.376 -0.077 1.00 34.14 C ATOM 652 CD1 LEU A 42 -1.824 -13.301 -0.406 1.00 20.45 C ATOM 653 CD2 LEU A 42 -1.043 -15.712 -0.811 1.00 62.30 C ATOM 0 H LEU A 42 0.553 -14.801 -2.727 1.00 43.41 H new ATOM 0 HA LEU A 42 0.195 -12.221 -1.657 1.00 42.30 H new ATOM 0 HB2 LEU A 42 1.370 -14.708 -0.356 1.00 73.43 H new ATOM 0 HB3 LEU A 42 0.994 -13.236 0.516 1.00 73.43 H new ATOM 0 HG LEU A 42 -0.833 -14.586 0.990 1.00 34.14 H new ATOM 0 HD11 LEU A 42 -2.819 -13.703 -0.214 1.00 20.45 H new ATOM 0 HD12 LEU A 42 -1.660 -12.424 0.220 1.00 20.45 H new ATOM 0 HD13 LEU A 42 -1.743 -13.018 -1.456 1.00 20.45 H new ATOM 0 HD21 LEU A 42 -2.063 -16.034 -0.601 1.00 62.30 H new ATOM 0 HD22 LEU A 42 -0.922 -15.570 -1.885 1.00 62.30 H new ATOM 0 HD23 LEU A 42 -0.344 -16.473 -0.464 1.00 62.30 H new ATOM 665 N SER A 43 3.289 -13.131 -2.228 1.00 12.20 N ATOM 666 CA SER A 43 4.687 -12.709 -2.403 1.00 63.14 C ATOM 667 C SER A 43 4.768 -11.444 -3.276 1.00 71.33 C ATOM 668 O SER A 43 5.338 -10.410 -2.872 1.00 25.34 O ATOM 669 CB SER A 43 5.466 -13.866 -3.068 1.00 31.24 C ATOM 670 OG SER A 43 5.109 -15.101 -2.489 1.00 41.33 O ATOM 0 H SER A 43 3.096 -14.049 -2.629 1.00 12.20 H new ATOM 0 HA SER A 43 5.122 -12.473 -1.432 1.00 63.14 H new ATOM 0 HB2 SER A 43 5.256 -13.885 -4.138 1.00 31.24 H new ATOM 0 HB3 SER A 43 6.538 -13.702 -2.956 1.00 31.24 H new ATOM 0 HG SER A 43 5.914 -15.552 -2.158 1.00 41.33 H new ATOM 676 N PHE A 44 4.164 -11.562 -4.473 1.00 25.43 N ATOM 677 CA PHE A 44 4.061 -10.488 -5.471 1.00 2.55 C ATOM 678 C PHE A 44 3.396 -9.238 -4.870 1.00 41.42 C ATOM 679 O PHE A 44 3.923 -8.132 -4.990 1.00 20.31 O ATOM 680 CB PHE A 44 3.263 -11.023 -6.693 1.00 21.12 C ATOM 681 CG PHE A 44 2.847 -9.975 -7.730 1.00 40.32 C ATOM 682 CD1 PHE A 44 3.791 -9.355 -8.550 1.00 11.24 C ATOM 683 CD2 PHE A 44 1.499 -9.645 -7.908 1.00 3.21 C ATOM 684 CE1 PHE A 44 3.402 -8.431 -9.500 1.00 63.01 C ATOM 685 CE2 PHE A 44 1.115 -8.717 -8.853 1.00 72.55 C ATOM 686 CZ PHE A 44 2.064 -8.118 -9.657 1.00 74.03 C ATOM 0 H PHE A 44 3.724 -12.430 -4.778 1.00 25.43 H new ATOM 0 HA PHE A 44 5.058 -10.189 -5.794 1.00 2.55 H new ATOM 0 HB2 PHE A 44 3.866 -11.781 -7.193 1.00 21.12 H new ATOM 0 HB3 PHE A 44 2.365 -11.520 -6.327 1.00 21.12 H new ATOM 0 HD1 PHE A 44 4.837 -9.600 -8.440 1.00 11.24 H new ATOM 0 HD2 PHE A 44 0.749 -10.124 -7.297 1.00 3.21 H new ATOM 0 HE1 PHE A 44 4.144 -7.952 -10.121 1.00 63.01 H new ATOM 0 HE2 PHE A 44 0.072 -8.459 -8.964 1.00 72.55 H new ATOM 0 HZ PHE A 44 1.761 -7.404 -10.409 1.00 74.03 H new ATOM 696 N ILE A 45 2.273 -9.454 -4.176 1.00 23.52 N ATOM 697 CA ILE A 45 1.464 -8.392 -3.569 1.00 20.34 C ATOM 698 C ILE A 45 2.280 -7.667 -2.487 1.00 32.02 C ATOM 699 O ILE A 45 2.327 -6.454 -2.472 1.00 34.31 O ATOM 700 CB ILE A 45 0.156 -8.992 -2.930 1.00 70.41 C ATOM 701 CG1 ILE A 45 -0.733 -9.684 -4.016 1.00 1.25 C ATOM 702 CG2 ILE A 45 -0.640 -7.910 -2.164 1.00 53.51 C ATOM 703 CD1 ILE A 45 -1.862 -10.555 -3.476 1.00 42.30 C ATOM 0 H ILE A 45 1.895 -10.388 -4.018 1.00 23.52 H new ATOM 0 HA ILE A 45 1.182 -7.683 -4.348 1.00 20.34 H new ATOM 0 HB ILE A 45 0.456 -9.753 -2.210 1.00 70.41 H new ATOM 0 HG12 ILE A 45 -1.165 -8.913 -4.654 1.00 1.25 H new ATOM 0 HG13 ILE A 45 -0.093 -10.299 -4.648 1.00 1.25 H new ATOM 0 HG21 ILE A 45 -1.538 -8.355 -1.734 1.00 53.51 H new ATOM 0 HG22 ILE A 45 -0.021 -7.499 -1.366 1.00 53.51 H new ATOM 0 HG23 ILE A 45 -0.923 -7.112 -2.851 1.00 53.51 H new ATOM 0 HD11 ILE A 45 -2.417 -10.988 -4.308 1.00 42.30 H new ATOM 0 HD12 ILE A 45 -1.444 -11.354 -2.864 1.00 42.30 H new ATOM 0 HD13 ILE A 45 -2.533 -9.946 -2.870 1.00 42.30 H new ATOM 715 N HIS A 46 2.925 -8.451 -1.610 1.00 12.20 N ATOM 716 CA HIS A 46 3.784 -7.945 -0.509 1.00 22.52 C ATOM 717 C HIS A 46 4.916 -7.048 -1.063 1.00 14.30 C ATOM 718 O HIS A 46 5.218 -5.962 -0.495 1.00 60.04 O ATOM 719 CB HIS A 46 4.332 -9.165 0.274 1.00 41.41 C ATOM 720 CG HIS A 46 5.255 -8.880 1.429 1.00 43.03 C ATOM 721 ND1 HIS A 46 5.061 -7.870 2.351 1.00 43.21 N ATOM 722 CD2 HIS A 46 6.361 -9.544 1.835 1.00 40.10 C ATOM 723 CE1 HIS A 46 6.021 -7.923 3.261 1.00 35.45 C ATOM 724 NE2 HIS A 46 6.813 -8.934 2.971 1.00 44.33 N ATOM 0 H HIS A 46 2.869 -9.469 -1.639 1.00 12.20 H new ATOM 0 HA HIS A 46 3.205 -7.319 0.170 1.00 22.52 H new ATOM 0 HB2 HIS A 46 3.482 -9.734 0.652 1.00 41.41 H new ATOM 0 HB3 HIS A 46 4.859 -9.809 -0.429 1.00 41.41 H new ATOM 0 HD2 HIS A 46 6.806 -10.400 1.350 1.00 40.10 H new ATOM 0 HE1 HIS A 46 6.135 -7.251 4.099 1.00 35.45 H new ATOM 0 HE2 HIS A 46 7.633 -9.217 3.508 1.00 44.33 H new ATOM 733 N HIS A 47 5.494 -7.492 -2.211 1.00 44.45 N ATOM 734 CA HIS A 47 6.470 -6.691 -2.977 1.00 33.12 C ATOM 735 C HIS A 47 5.853 -5.337 -3.361 1.00 2.32 C ATOM 736 O HIS A 47 6.413 -4.300 -3.043 1.00 62.04 O ATOM 737 CB HIS A 47 6.923 -7.408 -4.277 1.00 24.12 C ATOM 738 CG HIS A 47 7.735 -8.654 -4.088 1.00 22.43 C ATOM 739 ND1 HIS A 47 7.700 -9.705 -4.980 1.00 30.13 N ATOM 740 CD2 HIS A 47 8.638 -9.000 -3.139 1.00 31.32 C ATOM 741 CE1 HIS A 47 8.540 -10.637 -4.588 1.00 12.12 C ATOM 742 NE2 HIS A 47 9.123 -10.235 -3.476 1.00 72.41 N ATOM 0 H HIS A 47 5.296 -8.404 -2.622 1.00 44.45 H new ATOM 0 HA HIS A 47 7.340 -6.552 -2.335 1.00 33.12 H new ATOM 0 HB2 HIS A 47 6.036 -7.660 -4.858 1.00 24.12 H new ATOM 0 HB3 HIS A 47 7.505 -6.705 -4.873 1.00 24.12 H new ATOM 0 HD2 HIS A 47 8.922 -8.412 -2.279 1.00 31.32 H new ATOM 0 HE1 HIS A 47 8.722 -11.575 -5.092 1.00 12.12 H new ATOM 0 HE2 HIS A 47 9.823 -10.760 -2.951 1.00 72.41 H new ATOM 751 N GLN A 48 4.676 -5.385 -4.016 1.00 62.55 N ATOM 752 CA GLN A 48 3.973 -4.176 -4.514 1.00 21.42 C ATOM 753 C GLN A 48 3.529 -3.252 -3.366 1.00 12.51 C ATOM 754 O GLN A 48 3.461 -2.044 -3.541 1.00 75.12 O ATOM 755 CB GLN A 48 2.744 -4.568 -5.373 1.00 40.33 C ATOM 756 CG GLN A 48 3.041 -5.566 -6.504 1.00 22.32 C ATOM 757 CD GLN A 48 4.182 -5.134 -7.426 1.00 61.51 C ATOM 758 OE1 GLN A 48 5.352 -5.454 -7.194 1.00 72.34 O ATOM 759 NE2 GLN A 48 3.843 -4.420 -8.472 1.00 52.01 N ATOM 0 H GLN A 48 4.184 -6.256 -4.216 1.00 62.55 H new ATOM 0 HA GLN A 48 4.685 -3.629 -5.132 1.00 21.42 H new ATOM 0 HB2 GLN A 48 1.983 -4.996 -4.720 1.00 40.33 H new ATOM 0 HB3 GLN A 48 2.319 -3.663 -5.808 1.00 40.33 H new ATOM 0 HG2 GLN A 48 3.287 -6.534 -6.067 1.00 22.32 H new ATOM 0 HG3 GLN A 48 2.139 -5.705 -7.099 1.00 22.32 H new ATOM 0 HE21 GLN A 48 2.865 -4.177 -8.628 1.00 52.01 H new ATOM 0 HE22 GLN A 48 4.557 -4.108 -9.130 1.00 52.01 H new ATOM 768 N ILE A 49 3.232 -3.844 -2.197 1.00 42.41 N ATOM 769 CA ILE A 49 2.842 -3.102 -0.989 1.00 23.40 C ATOM 770 C ILE A 49 4.017 -2.213 -0.567 1.00 11.31 C ATOM 771 O ILE A 49 3.888 -0.980 -0.548 1.00 33.23 O ATOM 772 CB ILE A 49 2.411 -4.073 0.197 1.00 21.25 C ATOM 773 CG1 ILE A 49 1.047 -4.782 -0.120 1.00 53.32 C ATOM 774 CG2 ILE A 49 2.349 -3.339 1.565 1.00 5.24 C ATOM 775 CD1 ILE A 49 0.583 -5.798 0.923 1.00 21.31 C ATOM 0 H ILE A 49 3.256 -4.855 -2.064 1.00 42.41 H new ATOM 0 HA ILE A 49 1.970 -2.489 -1.217 1.00 23.40 H new ATOM 0 HB ILE A 49 3.184 -4.837 0.277 1.00 21.25 H new ATOM 0 HG12 ILE A 49 0.276 -4.019 -0.229 1.00 53.32 H new ATOM 0 HG13 ILE A 49 1.133 -5.287 -1.082 1.00 53.32 H new ATOM 0 HG21 ILE A 49 2.051 -4.043 2.342 1.00 5.24 H new ATOM 0 HG22 ILE A 49 3.331 -2.930 1.803 1.00 5.24 H new ATOM 0 HG23 ILE A 49 1.622 -2.529 1.511 1.00 5.24 H new ATOM 0 HD11 ILE A 49 -0.368 -6.231 0.611 1.00 21.31 H new ATOM 0 HD12 ILE A 49 1.328 -6.588 1.018 1.00 21.31 H new ATOM 0 HD13 ILE A 49 0.457 -5.301 1.885 1.00 21.31 H new ATOM 787 N ILE A 50 5.182 -2.846 -0.295 1.00 24.30 N ATOM 788 CA ILE A 50 6.367 -2.093 0.180 1.00 43.21 C ATOM 789 C ILE A 50 6.917 -1.154 -0.932 1.00 5.43 C ATOM 790 O ILE A 50 7.274 -0.006 -0.653 1.00 45.21 O ATOM 791 CB ILE A 50 7.498 -3.049 0.707 1.00 71.30 C ATOM 792 CG1 ILE A 50 6.926 -4.053 1.766 1.00 13.32 C ATOM 793 CG2 ILE A 50 8.696 -2.249 1.293 1.00 64.01 C ATOM 794 CD1 ILE A 50 6.310 -3.421 3.014 1.00 50.50 C ATOM 0 H ILE A 50 5.326 -3.851 -0.393 1.00 24.30 H new ATOM 0 HA ILE A 50 6.039 -1.479 1.019 1.00 43.21 H new ATOM 0 HB ILE A 50 7.870 -3.620 -0.143 1.00 71.30 H new ATOM 0 HG12 ILE A 50 6.169 -4.670 1.282 1.00 13.32 H new ATOM 0 HG13 ILE A 50 7.729 -4.720 2.078 1.00 13.32 H new ATOM 0 HG21 ILE A 50 9.458 -2.943 1.647 1.00 64.01 H new ATOM 0 HG22 ILE A 50 9.120 -1.609 0.519 1.00 64.01 H new ATOM 0 HG23 ILE A 50 8.351 -1.634 2.124 1.00 64.01 H new ATOM 0 HD11 ILE A 50 5.947 -4.206 3.678 1.00 50.50 H new ATOM 0 HD12 ILE A 50 7.064 -2.828 3.532 1.00 50.50 H new ATOM 0 HD13 ILE A 50 5.479 -2.778 2.724 1.00 50.50 H new ATOM 806 N GLU A 51 6.911 -1.640 -2.190 1.00 63.41 N ATOM 807 CA GLU A 51 7.448 -0.912 -3.365 1.00 64.34 C ATOM 808 C GLU A 51 6.668 0.376 -3.613 1.00 5.45 C ATOM 809 O GLU A 51 7.247 1.464 -3.666 1.00 71.14 O ATOM 810 CB GLU A 51 7.390 -1.809 -4.635 1.00 11.04 C ATOM 811 CG GLU A 51 7.807 -1.113 -5.949 1.00 14.42 C ATOM 812 CD GLU A 51 7.800 -2.056 -7.164 1.00 3.52 C ATOM 813 OE1 GLU A 51 8.847 -2.688 -7.443 1.00 3.30 O ATOM 814 OE2 GLU A 51 6.755 -2.170 -7.843 1.00 45.22 O ATOM 0 H GLU A 51 6.530 -2.557 -2.424 1.00 63.41 H new ATOM 0 HA GLU A 51 8.486 -0.657 -3.152 1.00 64.34 H new ATOM 0 HB2 GLU A 51 8.035 -2.674 -4.480 1.00 11.04 H new ATOM 0 HB3 GLU A 51 6.374 -2.186 -4.748 1.00 11.04 H new ATOM 0 HG2 GLU A 51 7.132 -0.279 -6.141 1.00 14.42 H new ATOM 0 HG3 GLU A 51 8.806 -0.693 -5.829 1.00 14.42 H new ATOM 821 N LEU A 52 5.341 0.234 -3.741 1.00 2.24 N ATOM 822 CA LEU A 52 4.451 1.348 -4.088 1.00 52.14 C ATOM 823 C LEU A 52 4.186 2.245 -2.873 1.00 51.23 C ATOM 824 O LEU A 52 3.747 3.377 -3.045 1.00 54.13 O ATOM 825 CB LEU A 52 3.147 0.810 -4.728 1.00 20.24 C ATOM 826 CG LEU A 52 3.346 0.022 -6.068 1.00 23.40 C ATOM 827 CD1 LEU A 52 2.027 -0.625 -6.550 1.00 43.11 C ATOM 828 CD2 LEU A 52 3.976 0.927 -7.157 1.00 31.13 C ATOM 0 H LEU A 52 4.857 -0.654 -3.607 1.00 2.24 H new ATOM 0 HA LEU A 52 4.943 1.977 -4.830 1.00 52.14 H new ATOM 0 HB2 LEU A 52 2.650 0.158 -4.010 1.00 20.24 H new ATOM 0 HB3 LEU A 52 2.477 1.650 -4.913 1.00 20.24 H new ATOM 0 HG LEU A 52 4.045 -0.792 -5.874 1.00 23.40 H new ATOM 0 HD11 LEU A 52 2.205 -1.162 -7.481 1.00 43.11 H new ATOM 0 HD12 LEU A 52 1.665 -1.321 -5.793 1.00 43.11 H new ATOM 0 HD13 LEU A 52 1.280 0.151 -6.716 1.00 43.11 H new ATOM 0 HD21 LEU A 52 4.103 0.355 -8.076 1.00 31.13 H new ATOM 0 HD22 LEU A 52 3.322 1.778 -7.346 1.00 31.13 H new ATOM 0 HD23 LEU A 52 4.947 1.285 -6.815 1.00 31.13 H new ATOM 840 N ALA A 53 4.447 1.736 -1.649 1.00 15.40 N ATOM 841 CA ALA A 53 4.541 2.594 -0.449 1.00 64.11 C ATOM 842 C ALA A 53 5.745 3.557 -0.577 1.00 74.10 C ATOM 843 O ALA A 53 5.577 4.781 -0.519 1.00 63.40 O ATOM 844 CB ALA A 53 4.653 1.742 0.820 1.00 64.14 C ATOM 0 H ALA A 53 4.595 0.743 -1.467 1.00 15.40 H new ATOM 0 HA ALA A 53 3.630 3.188 -0.372 1.00 64.11 H new ATOM 0 HB1 ALA A 53 4.721 2.394 1.691 1.00 64.14 H new ATOM 0 HB2 ALA A 53 3.772 1.106 0.910 1.00 64.14 H new ATOM 0 HB3 ALA A 53 5.546 1.119 0.762 1.00 64.14 H new ATOM 850 N ARG A 54 6.951 2.983 -0.792 1.00 3.30 N ATOM 851 CA ARG A 54 8.207 3.761 -0.990 1.00 41.44 C ATOM 852 C ARG A 54 8.081 4.728 -2.199 1.00 22.14 C ATOM 853 O ARG A 54 8.592 5.861 -2.173 1.00 21.34 O ATOM 854 CB ARG A 54 9.405 2.794 -1.216 1.00 5.34 C ATOM 855 CG ARG A 54 9.719 1.825 -0.045 1.00 71.23 C ATOM 856 CD ARG A 54 10.476 2.482 1.125 1.00 30.15 C ATOM 857 NE ARG A 54 10.823 1.496 2.178 1.00 11.23 N ATOM 858 CZ ARG A 54 11.090 1.795 3.459 1.00 2.45 C ATOM 859 NH1 ARG A 54 11.056 3.050 3.889 1.00 60.54 N ATOM 860 NH2 ARG A 54 11.370 0.824 4.316 1.00 32.51 N ATOM 0 H ARG A 54 7.086 1.973 -0.834 1.00 3.30 H new ATOM 0 HA ARG A 54 8.382 4.353 -0.091 1.00 41.44 H new ATOM 0 HB2 ARG A 54 9.207 2.202 -2.110 1.00 5.34 H new ATOM 0 HB3 ARG A 54 10.295 3.389 -1.419 1.00 5.34 H new ATOM 0 HG2 ARG A 54 8.784 1.408 0.329 1.00 71.23 H new ATOM 0 HG3 ARG A 54 10.310 0.992 -0.425 1.00 71.23 H new ATOM 0 HD2 ARG A 54 11.386 2.951 0.752 1.00 30.15 H new ATOM 0 HD3 ARG A 54 9.863 3.274 1.556 1.00 30.15 H new ATOM 0 HE ARG A 54 10.862 0.513 1.907 1.00 11.23 H new ATOM 0 HH11 ARG A 54 10.824 3.804 3.243 1.00 60.54 H new ATOM 0 HH12 ARG A 54 11.261 3.260 4.866 1.00 60.54 H new ATOM 0 HH21 ARG A 54 11.382 -0.146 4.001 1.00 32.51 H new ATOM 0 HH22 ARG A 54 11.574 1.047 5.290 1.00 32.51 H new ATOM 874 N ASP A 55 7.378 4.263 -3.242 1.00 41.11 N ATOM 875 CA ASP A 55 7.175 5.018 -4.491 1.00 23.32 C ATOM 876 C ASP A 55 6.184 6.177 -4.281 1.00 0.21 C ATOM 877 O ASP A 55 6.423 7.287 -4.743 1.00 63.44 O ATOM 878 CB ASP A 55 6.697 4.080 -5.624 1.00 62.11 C ATOM 879 CG ASP A 55 6.696 4.771 -6.996 1.00 33.33 C ATOM 880 OD1 ASP A 55 7.795 5.043 -7.529 1.00 20.35 O ATOM 881 OD2 ASP A 55 5.614 5.073 -7.534 1.00 62.34 O ATOM 0 H ASP A 55 6.931 3.346 -3.244 1.00 41.11 H new ATOM 0 HA ASP A 55 8.132 5.448 -4.786 1.00 23.32 H new ATOM 0 HB2 ASP A 55 7.343 3.203 -5.663 1.00 62.11 H new ATOM 0 HB3 ASP A 55 5.691 3.725 -5.398 1.00 62.11 H new ATOM 886 N CYS A 56 5.084 5.917 -3.553 1.00 21.43 N ATOM 887 CA CYS A 56 4.128 6.977 -3.148 1.00 41.50 C ATOM 888 C CYS A 56 4.842 8.020 -2.272 1.00 71.42 C ATOM 889 O CYS A 56 4.561 9.215 -2.353 1.00 25.01 O ATOM 890 CB CYS A 56 2.921 6.369 -2.398 1.00 3.21 C ATOM 891 SG CYS A 56 1.628 7.560 -1.974 1.00 65.21 S ATOM 0 H CYS A 56 4.830 4.983 -3.230 1.00 21.43 H new ATOM 0 HA CYS A 56 3.752 7.470 -4.045 1.00 41.50 H new ATOM 0 HB2 CYS A 56 2.485 5.582 -3.013 1.00 3.21 H new ATOM 0 HB3 CYS A 56 3.278 5.897 -1.482 1.00 3.21 H new ATOM 0 HG CYS A 56 2.139 8.754 -1.917 1.00 65.21 H new ATOM 897 N LEU A 57 5.805 7.531 -1.475 1.00 34.32 N ATOM 898 CA LEU A 57 6.652 8.354 -0.601 1.00 14.14 C ATOM 899 C LEU A 57 7.619 9.258 -1.426 1.00 22.01 C ATOM 900 O LEU A 57 7.851 10.414 -1.044 1.00 71.20 O ATOM 901 CB LEU A 57 7.381 7.390 0.382 1.00 63.11 C ATOM 902 CG LEU A 57 8.346 7.990 1.449 1.00 12.01 C ATOM 903 CD1 LEU A 57 7.722 9.186 2.179 1.00 34.41 C ATOM 904 CD2 LEU A 57 8.767 6.900 2.466 1.00 10.11 C ATOM 0 H LEU A 57 6.020 6.535 -1.420 1.00 34.32 H new ATOM 0 HA LEU A 57 6.052 9.057 -0.023 1.00 14.14 H new ATOM 0 HB2 LEU A 57 6.617 6.820 0.912 1.00 63.11 H new ATOM 0 HB3 LEU A 57 7.952 6.679 -0.216 1.00 63.11 H new ATOM 0 HG LEU A 57 9.230 8.352 0.924 1.00 12.01 H new ATOM 0 HD11 LEU A 57 8.428 9.573 2.913 1.00 34.41 H new ATOM 0 HD12 LEU A 57 7.483 9.968 1.458 1.00 34.41 H new ATOM 0 HD13 LEU A 57 6.810 8.868 2.685 1.00 34.41 H new ATOM 0 HD21 LEU A 57 9.441 7.333 3.205 1.00 10.11 H new ATOM 0 HD22 LEU A 57 7.882 6.509 2.967 1.00 10.11 H new ATOM 0 HD23 LEU A 57 9.275 6.090 1.942 1.00 10.11 H new ATOM 916 N THR A 58 8.162 8.753 -2.566 1.00 22.21 N ATOM 917 CA THR A 58 8.966 9.606 -3.494 1.00 64.52 C ATOM 918 C THR A 58 8.058 10.656 -4.195 1.00 65.31 C ATOM 919 O THR A 58 8.475 11.803 -4.414 1.00 12.15 O ATOM 920 CB THR A 58 9.753 8.774 -4.580 1.00 33.23 C ATOM 921 OG1 THR A 58 8.848 8.141 -5.496 1.00 10.31 O ATOM 922 CG2 THR A 58 10.675 7.706 -3.951 1.00 13.03 C ATOM 0 H THR A 58 8.063 7.782 -2.863 1.00 22.21 H new ATOM 0 HA THR A 58 9.709 10.110 -2.876 1.00 64.52 H new ATOM 0 HB THR A 58 10.379 9.486 -5.117 1.00 33.23 H new ATOM 0 HG1 THR A 58 8.100 7.748 -4.999 1.00 10.31 H new ATOM 0 HG21 THR A 58 11.193 7.162 -4.741 1.00 13.03 H new ATOM 0 HG22 THR A 58 11.406 8.192 -3.305 1.00 13.03 H new ATOM 0 HG23 THR A 58 10.077 7.010 -3.363 1.00 13.03 H new ATOM 930 N LYS A 59 6.813 10.241 -4.523 1.00 72.24 N ATOM 931 CA LYS A 59 5.781 11.119 -5.137 1.00 44.41 C ATOM 932 C LYS A 59 5.319 12.245 -4.164 1.00 73.53 C ATOM 933 O LYS A 59 5.016 13.369 -4.607 1.00 43.20 O ATOM 934 CB LYS A 59 4.557 10.258 -5.611 1.00 33.44 C ATOM 935 CG LYS A 59 4.587 9.749 -7.079 1.00 51.04 C ATOM 936 CD LYS A 59 5.746 8.778 -7.385 1.00 44.52 C ATOM 937 CE LYS A 59 5.707 8.256 -8.835 1.00 30.33 C ATOM 938 NZ LYS A 59 6.847 7.347 -9.134 1.00 41.20 N ATOM 0 H LYS A 59 6.491 9.285 -4.370 1.00 72.24 H new ATOM 0 HA LYS A 59 6.231 11.608 -6.001 1.00 44.41 H new ATOM 0 HB2 LYS A 59 4.474 9.393 -4.953 1.00 33.44 H new ATOM 0 HB3 LYS A 59 3.652 10.850 -5.475 1.00 33.44 H new ATOM 0 HG2 LYS A 59 3.643 9.251 -7.299 1.00 51.04 H new ATOM 0 HG3 LYS A 59 4.659 10.606 -7.748 1.00 51.04 H new ATOM 0 HD2 LYS A 59 6.696 9.283 -7.209 1.00 44.52 H new ATOM 0 HD3 LYS A 59 5.701 7.934 -6.696 1.00 44.52 H new ATOM 0 HE2 LYS A 59 4.769 7.728 -9.004 1.00 30.33 H new ATOM 0 HE3 LYS A 59 5.727 9.100 -9.524 1.00 30.33 H new ATOM 0 HZ1 LYS A 59 6.502 6.519 -9.660 1.00 41.20 H new ATOM 0 HZ2 LYS A 59 7.553 7.852 -9.707 1.00 41.20 H new ATOM 0 HZ3 LYS A 59 7.284 7.034 -8.244 1.00 41.20 H new ATOM 952 N SER A 60 5.249 11.926 -2.851 1.00 42.34 N ATOM 953 CA SER A 60 4.824 12.885 -1.797 1.00 65.44 C ATOM 954 C SER A 60 5.847 14.024 -1.612 1.00 65.23 C ATOM 955 O SER A 60 5.472 15.193 -1.433 1.00 40.14 O ATOM 956 CB SER A 60 4.606 12.147 -0.455 1.00 63.14 C ATOM 957 OG SER A 60 3.518 11.241 -0.539 1.00 53.23 O ATOM 0 H SER A 60 5.484 11.001 -2.490 1.00 42.34 H new ATOM 0 HA SER A 60 3.884 13.331 -2.121 1.00 65.44 H new ATOM 0 HB2 SER A 60 5.513 11.607 -0.183 1.00 63.14 H new ATOM 0 HB3 SER A 60 4.418 12.873 0.336 1.00 63.14 H new ATOM 0 HG SER A 60 3.748 10.509 -1.149 1.00 53.23 H new ATOM 963 N ARG A 61 7.143 13.670 -1.694 1.00 42.21 N ATOM 964 CA ARG A 61 8.274 14.618 -1.509 1.00 63.22 C ATOM 965 C ARG A 61 8.657 15.300 -2.835 1.00 54.23 C ATOM 966 O ARG A 61 9.834 15.586 -3.087 1.00 23.32 O ATOM 967 CB ARG A 61 9.479 13.848 -0.909 1.00 53.02 C ATOM 968 CG ARG A 61 9.196 13.251 0.479 1.00 41.44 C ATOM 969 CD ARG A 61 10.327 12.342 0.980 1.00 71.41 C ATOM 970 NE ARG A 61 10.555 11.204 0.063 1.00 73.50 N ATOM 971 CZ ARG A 61 11.186 10.065 0.381 1.00 51.54 C ATOM 972 NH1 ARG A 61 11.667 9.878 1.614 1.00 51.31 N ATOM 973 NH2 ARG A 61 11.316 9.117 -0.544 1.00 71.21 N ATOM 0 H ARG A 61 7.444 12.715 -1.891 1.00 42.21 H new ATOM 0 HA ARG A 61 7.970 15.409 -0.823 1.00 63.22 H new ATOM 0 HB2 ARG A 61 9.763 13.045 -1.590 1.00 53.02 H new ATOM 0 HB3 ARG A 61 10.332 14.523 -0.838 1.00 53.02 H new ATOM 0 HG2 ARG A 61 9.044 14.060 1.193 1.00 41.44 H new ATOM 0 HG3 ARG A 61 8.268 12.681 0.441 1.00 41.44 H new ATOM 0 HD2 ARG A 61 11.245 12.922 1.077 1.00 71.41 H new ATOM 0 HD3 ARG A 61 10.080 11.967 1.973 1.00 71.41 H new ATOM 0 HE ARG A 61 10.203 11.293 -0.890 1.00 73.50 H new ATOM 0 HH11 ARG A 61 11.555 10.605 2.321 1.00 51.31 H new ATOM 0 HH12 ARG A 61 12.146 9.008 1.848 1.00 51.31 H new ATOM 0 HH21 ARG A 61 10.938 9.263 -1.480 1.00 71.21 H new ATOM 0 HH22 ARG A 61 11.794 8.245 -0.317 1.00 71.21 H new ATOM 987 N ASP A 62 7.643 15.605 -3.648 1.00 10.15 N ATOM 988 CA ASP A 62 7.826 16.217 -4.974 1.00 63.53 C ATOM 989 C ASP A 62 6.715 17.250 -5.220 1.00 11.12 C ATOM 990 O ASP A 62 6.967 18.345 -5.731 1.00 52.21 O ATOM 991 CB ASP A 62 7.799 15.102 -6.074 1.00 23.33 C ATOM 992 CG ASP A 62 8.244 15.546 -7.487 1.00 22.25 C ATOM 993 OD1 ASP A 62 8.684 16.703 -7.685 1.00 23.43 O ATOM 994 OD2 ASP A 62 8.179 14.710 -8.414 1.00 33.44 O ATOM 0 H ASP A 62 6.666 15.435 -3.408 1.00 10.15 H new ATOM 0 HA ASP A 62 8.790 16.725 -5.017 1.00 63.53 H new ATOM 0 HB2 ASP A 62 8.441 14.283 -5.751 1.00 23.33 H new ATOM 0 HB3 ASP A 62 6.786 14.706 -6.140 1.00 23.33 H new ATOM 999 N GLY A 63 5.479 16.882 -4.831 1.00 0.42 N ATOM 1000 CA GLY A 63 4.284 17.660 -5.186 1.00 62.24 C ATOM 1001 C GLY A 63 3.706 17.230 -6.533 1.00 23.04 C ATOM 1002 O GLY A 63 2.628 17.691 -6.929 1.00 61.32 O ATOM 0 H GLY A 63 5.286 16.051 -4.272 1.00 0.42 H new ATOM 0 HA2 GLY A 63 3.528 17.538 -4.411 1.00 62.24 H new ATOM 0 HA3 GLY A 63 4.537 18.720 -5.221 1.00 62.24 H new ATOM 1006 N LEU A 64 4.403 16.289 -7.197 1.00 4.10 N ATOM 1007 CA LEU A 64 4.026 15.741 -8.490 1.00 34.42 C ATOM 1008 C LEU A 64 3.660 14.287 -8.201 1.00 64.51 C ATOM 1009 O LEU A 64 4.414 13.349 -8.500 1.00 24.54 O ATOM 1010 CB LEU A 64 5.193 15.893 -9.528 1.00 43.31 C ATOM 1011 CG LEU A 64 4.844 15.767 -11.059 1.00 53.02 C ATOM 1012 CD1 LEU A 64 6.084 16.106 -11.909 1.00 33.35 C ATOM 1013 CD2 LEU A 64 4.284 14.376 -11.445 1.00 44.20 C ATOM 0 H LEU A 64 5.265 15.886 -6.829 1.00 4.10 H new ATOM 0 HA LEU A 64 3.188 16.266 -8.948 1.00 34.42 H new ATOM 0 HB2 LEU A 64 5.655 16.868 -9.370 1.00 43.31 H new ATOM 0 HB3 LEU A 64 5.947 15.141 -9.295 1.00 43.31 H new ATOM 0 HG LEU A 64 4.048 16.483 -11.264 1.00 53.02 H new ATOM 0 HD11 LEU A 64 5.836 16.017 -12.967 1.00 33.35 H new ATOM 0 HD12 LEU A 64 6.403 17.126 -11.696 1.00 33.35 H new ATOM 0 HD13 LEU A 64 6.891 15.415 -11.666 1.00 33.35 H new ATOM 0 HD21 LEU A 64 4.064 14.356 -12.512 1.00 44.20 H new ATOM 0 HD22 LEU A 64 5.023 13.609 -11.212 1.00 44.20 H new ATOM 0 HD23 LEU A 64 3.370 14.183 -10.883 1.00 44.20 H new ATOM 1025 N ILE A 65 2.552 14.122 -7.488 1.00 64.20 N ATOM 1026 CA ILE A 65 1.913 12.847 -7.324 1.00 53.43 C ATOM 1027 C ILE A 65 0.763 12.817 -8.337 1.00 44.31 C ATOM 1028 O ILE A 65 -0.241 13.533 -8.188 1.00 1.35 O ATOM 1029 CB ILE A 65 1.475 12.598 -5.823 1.00 34.41 C ATOM 1030 CG1 ILE A 65 0.995 11.135 -5.653 1.00 45.52 C ATOM 1031 CG2 ILE A 65 0.427 13.617 -5.297 1.00 74.42 C ATOM 1032 CD1 ILE A 65 0.867 10.685 -4.207 1.00 3.20 C ATOM 0 H ILE A 65 2.077 14.886 -7.007 1.00 64.20 H new ATOM 0 HA ILE A 65 2.591 12.018 -7.526 1.00 53.43 H new ATOM 0 HB ILE A 65 2.355 12.761 -5.201 1.00 34.41 H new ATOM 0 HG12 ILE A 65 0.028 11.022 -6.144 1.00 45.52 H new ATOM 0 HG13 ILE A 65 1.692 10.474 -6.167 1.00 45.52 H new ATOM 0 HG21 ILE A 65 0.177 13.381 -4.263 1.00 74.42 H new ATOM 0 HG22 ILE A 65 0.840 14.624 -5.350 1.00 74.42 H new ATOM 0 HG23 ILE A 65 -0.473 13.562 -5.909 1.00 74.42 H new ATOM 0 HD11 ILE A 65 0.526 9.650 -4.177 1.00 3.20 H new ATOM 0 HD12 ILE A 65 1.836 10.762 -3.715 1.00 3.20 H new ATOM 0 HD13 ILE A 65 0.146 11.319 -3.691 1.00 3.20 H new ATOM 1044 N THR A 66 1.015 12.079 -9.435 1.00 12.44 N ATOM 1045 CA THR A 66 0.134 11.993 -10.605 1.00 63.31 C ATOM 1046 C THR A 66 -1.318 11.714 -10.171 1.00 53.24 C ATOM 1047 O THR A 66 -1.542 10.872 -9.292 1.00 43.44 O ATOM 1048 CB THR A 66 0.652 10.870 -11.573 1.00 54.25 C ATOM 1049 OG1 THR A 66 2.045 11.081 -11.857 1.00 22.14 O ATOM 1050 CG2 THR A 66 -0.127 10.817 -12.900 1.00 71.11 C ATOM 0 H THR A 66 1.859 11.514 -9.531 1.00 12.44 H new ATOM 0 HA THR A 66 0.148 12.947 -11.132 1.00 63.31 H new ATOM 0 HB THR A 66 0.499 9.919 -11.064 1.00 54.25 H new ATOM 0 HG1 THR A 66 2.366 10.378 -12.460 1.00 22.14 H new ATOM 0 HG21 THR A 66 0.276 10.022 -13.527 1.00 71.11 H new ATOM 0 HG22 THR A 66 -1.180 10.620 -12.696 1.00 71.11 H new ATOM 0 HG23 THR A 66 -0.030 11.772 -13.417 1.00 71.11 H new ATOM 1058 N THR A 67 -2.290 12.448 -10.759 1.00 45.22 N ATOM 1059 CA THR A 67 -3.717 12.305 -10.407 1.00 53.42 C ATOM 1060 C THR A 67 -4.162 10.843 -10.633 1.00 11.41 C ATOM 1061 O THR A 67 -4.850 10.260 -9.792 1.00 52.44 O ATOM 1062 CB THR A 67 -4.626 13.316 -11.207 1.00 54.52 C ATOM 1063 OG1 THR A 67 -5.965 13.333 -10.677 1.00 31.41 O ATOM 1064 CG2 THR A 67 -4.675 12.993 -12.711 1.00 35.54 C ATOM 0 H THR A 67 -2.109 13.146 -11.480 1.00 45.22 H new ATOM 0 HA THR A 67 -3.838 12.552 -9.352 1.00 53.42 H new ATOM 0 HB THR A 67 -4.174 14.301 -11.087 1.00 54.52 H new ATOM 0 HG1 THR A 67 -6.511 13.968 -11.187 1.00 31.41 H new ATOM 0 HG21 THR A 67 -5.313 13.717 -13.218 1.00 35.54 H new ATOM 0 HG22 THR A 67 -3.669 13.043 -13.127 1.00 35.54 H new ATOM 0 HG23 THR A 67 -5.078 11.991 -12.855 1.00 35.54 H new ATOM 1072 N VAL A 68 -3.638 10.239 -11.727 1.00 44.14 N ATOM 1073 CA VAL A 68 -3.909 8.841 -12.092 1.00 63.35 C ATOM 1074 C VAL A 68 -3.338 7.885 -11.030 1.00 34.14 C ATOM 1075 O VAL A 68 -3.957 6.868 -10.723 1.00 14.00 O ATOM 1076 CB VAL A 68 -3.293 8.495 -13.499 1.00 72.52 C ATOM 1077 CG1 VAL A 68 -3.588 7.030 -13.926 1.00 73.22 C ATOM 1078 CG2 VAL A 68 -3.760 9.511 -14.569 1.00 73.44 C ATOM 0 H VAL A 68 -3.014 10.716 -12.378 1.00 44.14 H new ATOM 0 HA VAL A 68 -4.991 8.715 -12.143 1.00 63.35 H new ATOM 0 HB VAL A 68 -2.210 8.576 -13.410 1.00 72.52 H new ATOM 0 HG11 VAL A 68 -3.143 6.839 -14.903 1.00 73.22 H new ATOM 0 HG12 VAL A 68 -3.162 6.345 -13.193 1.00 73.22 H new ATOM 0 HG13 VAL A 68 -4.666 6.877 -13.982 1.00 73.22 H new ATOM 0 HG21 VAL A 68 -3.322 9.252 -15.533 1.00 73.44 H new ATOM 0 HG22 VAL A 68 -4.847 9.485 -14.646 1.00 73.44 H new ATOM 0 HG23 VAL A 68 -3.441 10.513 -14.283 1.00 73.44 H new ATOM 1088 N TYR A 69 -2.170 8.264 -10.452 1.00 12.11 N ATOM 1089 CA TYR A 69 -1.400 7.406 -9.528 1.00 43.05 C ATOM 1090 C TYR A 69 -2.230 6.984 -8.304 1.00 73.01 C ATOM 1091 O TYR A 69 -2.133 5.847 -7.879 1.00 31.11 O ATOM 1092 CB TYR A 69 -0.089 8.101 -9.066 1.00 44.45 C ATOM 1093 CG TYR A 69 0.790 7.232 -8.156 1.00 62.10 C ATOM 1094 CD1 TYR A 69 1.528 6.171 -8.686 1.00 75.05 C ATOM 1095 CD2 TYR A 69 0.862 7.449 -6.774 1.00 4.21 C ATOM 1096 CE1 TYR A 69 2.301 5.365 -7.876 1.00 51.11 C ATOM 1097 CE2 TYR A 69 1.640 6.645 -5.966 1.00 34.34 C ATOM 1098 CZ TYR A 69 2.353 5.603 -6.520 1.00 24.02 C ATOM 1099 OH TYR A 69 3.123 4.798 -5.716 1.00 30.03 O ATOM 0 H TYR A 69 -1.739 9.174 -10.616 1.00 12.11 H new ATOM 0 HA TYR A 69 -1.141 6.507 -10.086 1.00 43.05 H new ATOM 0 HB2 TYR A 69 0.488 8.387 -9.945 1.00 44.45 H new ATOM 0 HB3 TYR A 69 -0.343 9.020 -8.538 1.00 44.45 H new ATOM 0 HD1 TYR A 69 1.493 5.978 -9.748 1.00 75.05 H new ATOM 0 HD2 TYR A 69 0.299 8.259 -6.334 1.00 4.21 H new ATOM 0 HE1 TYR A 69 2.864 4.549 -8.304 1.00 51.11 H new ATOM 0 HE2 TYR A 69 1.690 6.831 -4.903 1.00 34.34 H new ATOM 0 HH TYR A 69 4.007 4.679 -6.123 1.00 30.03 H new ATOM 1109 N PHE A 70 -3.036 7.912 -7.752 1.00 34.05 N ATOM 1110 CA PHE A 70 -3.876 7.628 -6.560 1.00 51.02 C ATOM 1111 C PHE A 70 -4.958 6.578 -6.873 1.00 55.51 C ATOM 1112 O PHE A 70 -5.177 5.667 -6.076 1.00 52.03 O ATOM 1113 CB PHE A 70 -4.490 8.951 -5.963 1.00 54.41 C ATOM 1114 CG PHE A 70 -3.830 9.457 -4.661 1.00 12.33 C ATOM 1115 CD1 PHE A 70 -2.640 8.900 -4.170 1.00 20.51 C ATOM 1116 CD2 PHE A 70 -4.410 10.492 -3.923 1.00 71.43 C ATOM 1117 CE1 PHE A 70 -2.071 9.355 -2.996 1.00 3.41 C ATOM 1118 CE2 PHE A 70 -3.834 10.945 -2.746 1.00 51.33 C ATOM 1119 CZ PHE A 70 -2.661 10.378 -2.286 1.00 63.15 C ATOM 0 H PHE A 70 -3.127 8.864 -8.108 1.00 34.05 H new ATOM 0 HA PHE A 70 -3.231 7.201 -5.792 1.00 51.02 H new ATOM 0 HB2 PHE A 70 -4.419 9.736 -6.715 1.00 54.41 H new ATOM 0 HB3 PHE A 70 -5.551 8.786 -5.773 1.00 54.41 H new ATOM 0 HD1 PHE A 70 -2.161 8.103 -4.718 1.00 20.51 H new ATOM 0 HD2 PHE A 70 -5.324 10.947 -4.276 1.00 71.43 H new ATOM 0 HE1 PHE A 70 -1.158 8.906 -2.633 1.00 3.41 H new ATOM 0 HE2 PHE A 70 -4.303 11.742 -2.188 1.00 51.33 H new ATOM 0 HZ PHE A 70 -2.208 10.735 -1.373 1.00 63.15 H new ATOM 1129 N TYR A 71 -5.601 6.695 -8.050 1.00 52.40 N ATOM 1130 CA TYR A 71 -6.650 5.744 -8.494 1.00 34.23 C ATOM 1131 C TYR A 71 -6.022 4.384 -8.858 1.00 1.40 C ATOM 1132 O TYR A 71 -6.607 3.320 -8.618 1.00 31.13 O ATOM 1133 CB TYR A 71 -7.422 6.320 -9.709 1.00 63.24 C ATOM 1134 CG TYR A 71 -7.941 7.756 -9.504 1.00 62.32 C ATOM 1135 CD1 TYR A 71 -8.882 8.067 -8.515 1.00 62.40 C ATOM 1136 CD2 TYR A 71 -7.494 8.801 -10.316 1.00 73.40 C ATOM 1137 CE1 TYR A 71 -9.343 9.364 -8.352 1.00 1.15 C ATOM 1138 CE2 TYR A 71 -7.951 10.092 -10.151 1.00 11.14 C ATOM 1139 CZ TYR A 71 -8.876 10.370 -9.176 1.00 0.13 C ATOM 1140 OH TYR A 71 -9.336 11.655 -9.032 1.00 31.55 O ATOM 0 H TYR A 71 -5.414 7.443 -8.718 1.00 52.40 H new ATOM 0 HA TYR A 71 -7.352 5.596 -7.673 1.00 34.23 H new ATOM 0 HB2 TYR A 71 -6.769 6.303 -10.582 1.00 63.24 H new ATOM 0 HB3 TYR A 71 -8.267 5.668 -9.930 1.00 63.24 H new ATOM 0 HD1 TYR A 71 -9.254 7.285 -7.870 1.00 62.40 H new ATOM 0 HD2 TYR A 71 -6.773 8.593 -11.092 1.00 73.40 H new ATOM 0 HE1 TYR A 71 -10.066 9.588 -7.582 1.00 1.15 H new ATOM 0 HE2 TYR A 71 -7.582 10.882 -10.788 1.00 11.14 H new ATOM 0 HH TYR A 71 -8.901 12.234 -9.692 1.00 31.55 H new ATOM 1150 N GLU A 72 -4.802 4.453 -9.412 1.00 21.43 N ATOM 1151 CA GLU A 72 -4.015 3.277 -9.817 1.00 15.14 C ATOM 1152 C GLU A 72 -3.564 2.531 -8.546 1.00 42.20 C ATOM 1153 O GLU A 72 -3.571 1.299 -8.495 1.00 71.21 O ATOM 1154 CB GLU A 72 -2.797 3.759 -10.668 1.00 75.41 C ATOM 1155 CG GLU A 72 -2.132 2.711 -11.598 1.00 71.05 C ATOM 1156 CD GLU A 72 -1.279 1.657 -10.867 1.00 30.03 C ATOM 1157 OE1 GLU A 72 -0.358 2.046 -10.117 1.00 72.11 O ATOM 1158 OE2 GLU A 72 -1.504 0.435 -11.051 1.00 14.33 O ATOM 0 H GLU A 72 -4.328 5.338 -9.594 1.00 21.43 H new ATOM 0 HA GLU A 72 -4.605 2.593 -10.426 1.00 15.14 H new ATOM 0 HB2 GLU A 72 -3.123 4.599 -11.282 1.00 75.41 H new ATOM 0 HB3 GLU A 72 -2.036 4.139 -9.986 1.00 75.41 H new ATOM 0 HG2 GLU A 72 -2.911 2.200 -12.164 1.00 71.05 H new ATOM 0 HG3 GLU A 72 -1.503 3.232 -12.320 1.00 71.05 H new ATOM 1165 N LEU A 73 -3.231 3.330 -7.511 1.00 73.24 N ATOM 1166 CA LEU A 73 -2.758 2.854 -6.197 1.00 4.10 C ATOM 1167 C LEU A 73 -3.937 2.171 -5.471 1.00 34.11 C ATOM 1168 O LEU A 73 -3.766 1.113 -4.847 1.00 42.35 O ATOM 1169 CB LEU A 73 -2.155 4.065 -5.388 1.00 53.44 C ATOM 1170 CG LEU A 73 -1.110 3.763 -4.251 1.00 32.15 C ATOM 1171 CD1 LEU A 73 -1.780 3.293 -2.947 1.00 14.11 C ATOM 1172 CD2 LEU A 73 -0.024 2.760 -4.730 1.00 1.05 C ATOM 0 H LEU A 73 -3.285 4.347 -7.568 1.00 73.24 H new ATOM 0 HA LEU A 73 -1.961 2.118 -6.302 1.00 4.10 H new ATOM 0 HB2 LEU A 73 -1.682 4.738 -6.103 1.00 53.44 H new ATOM 0 HB3 LEU A 73 -2.985 4.610 -4.939 1.00 53.44 H new ATOM 0 HG LEU A 73 -0.613 4.706 -4.023 1.00 32.15 H new ATOM 0 HD11 LEU A 73 -1.016 3.098 -2.195 1.00 14.11 H new ATOM 0 HD12 LEU A 73 -2.456 4.068 -2.585 1.00 14.11 H new ATOM 0 HD13 LEU A 73 -2.344 2.380 -3.136 1.00 14.11 H new ATOM 0 HD21 LEU A 73 0.682 2.574 -3.920 1.00 1.05 H new ATOM 0 HD22 LEU A 73 -0.498 1.823 -5.022 1.00 1.05 H new ATOM 0 HD23 LEU A 73 0.507 3.179 -5.585 1.00 1.05 H new ATOM 1184 N GLN A 74 -5.141 2.775 -5.617 1.00 53.02 N ATOM 1185 CA GLN A 74 -6.408 2.182 -5.146 1.00 23.50 C ATOM 1186 C GLN A 74 -6.654 0.828 -5.824 1.00 60.33 C ATOM 1187 O GLN A 74 -7.046 -0.152 -5.161 1.00 23.32 O ATOM 1188 CB GLN A 74 -7.627 3.123 -5.421 1.00 64.24 C ATOM 1189 CG GLN A 74 -7.692 4.416 -4.578 1.00 12.52 C ATOM 1190 CD GLN A 74 -7.879 4.179 -3.067 1.00 33.43 C ATOM 1191 OE1 GLN A 74 -7.396 3.207 -2.504 1.00 52.24 O ATOM 1192 NE2 GLN A 74 -8.591 5.062 -2.395 1.00 74.34 N ATOM 0 H GLN A 74 -5.257 3.685 -6.064 1.00 53.02 H new ATOM 0 HA GLN A 74 -6.315 2.043 -4.069 1.00 23.50 H new ATOM 0 HB2 GLN A 74 -7.615 3.401 -6.475 1.00 64.24 H new ATOM 0 HB3 GLN A 74 -8.543 2.557 -5.251 1.00 64.24 H new ATOM 0 HG2 GLN A 74 -6.775 4.984 -4.734 1.00 12.52 H new ATOM 0 HG3 GLN A 74 -8.514 5.032 -4.942 1.00 12.52 H new ATOM 0 HE21 GLN A 74 -8.989 5.869 -2.876 1.00 74.34 H new ATOM 0 HE22 GLN A 74 -8.744 4.938 -1.394 1.00 74.34 H new ATOM 1201 N GLU A 75 -6.417 0.795 -7.153 1.00 14.54 N ATOM 1202 CA GLU A 75 -6.598 -0.416 -7.955 1.00 13.20 C ATOM 1203 C GLU A 75 -5.619 -1.516 -7.508 1.00 52.34 C ATOM 1204 O GLU A 75 -6.020 -2.655 -7.406 1.00 54.13 O ATOM 1205 CB GLU A 75 -6.469 -0.130 -9.477 1.00 54.53 C ATOM 1206 CG GLU A 75 -6.854 -1.340 -10.359 1.00 62.42 C ATOM 1207 CD GLU A 75 -6.704 -1.092 -11.870 1.00 63.03 C ATOM 1208 OE1 GLU A 75 -7.577 -0.417 -12.461 1.00 24.44 O ATOM 1209 OE2 GLU A 75 -5.709 -1.566 -12.467 1.00 33.12 O ATOM 0 H GLU A 75 -6.098 1.603 -7.688 1.00 14.54 H new ATOM 0 HA GLU A 75 -7.614 -0.773 -7.785 1.00 13.20 H new ATOM 0 HB2 GLU A 75 -7.104 0.717 -9.736 1.00 54.53 H new ATOM 0 HB3 GLU A 75 -5.443 0.162 -9.700 1.00 54.53 H new ATOM 0 HG2 GLU A 75 -6.234 -2.192 -10.079 1.00 62.42 H new ATOM 0 HG3 GLU A 75 -7.887 -1.615 -10.148 1.00 62.42 H new ATOM 1216 N ASN A 76 -4.346 -1.166 -7.193 1.00 43.11 N ATOM 1217 CA ASN A 76 -3.362 -2.161 -6.682 1.00 64.40 C ATOM 1218 C ASN A 76 -3.867 -2.751 -5.372 1.00 53.31 C ATOM 1219 O ASN A 76 -4.095 -3.947 -5.270 1.00 54.34 O ATOM 1220 CB ASN A 76 -1.956 -1.562 -6.423 1.00 50.11 C ATOM 1221 CG ASN A 76 -1.264 -1.119 -7.690 1.00 43.00 C ATOM 1222 OD1 ASN A 76 -1.206 0.173 -7.908 1.00 14.44 O flip ATOM 1223 ND2 ASN A 76 -0.728 -1.941 -8.426 1.00 44.23 N flip ATOM 0 H ASN A 76 -3.979 -0.219 -7.281 1.00 43.11 H new ATOM 0 HA ASN A 76 -3.265 -2.919 -7.460 1.00 64.40 H new ATOM 0 HB2 ASN A 76 -2.048 -0.711 -5.748 1.00 50.11 H new ATOM 0 HB3 ASN A 76 -1.338 -2.304 -5.918 1.00 50.11 H new ATOM 0 HD21 ASN A 76 -0.800 -2.937 -8.216 1.00 44.23 H new ATOM 0 HD22 ASN A 76 -0.210 -1.629 -9.248 1.00 44.23 H new ATOM 1230 N LEU A 77 -4.097 -1.853 -4.413 1.00 75.43 N ATOM 1231 CA LEU A 77 -4.512 -2.195 -3.045 1.00 11.50 C ATOM 1232 C LEU A 77 -5.726 -3.143 -3.037 1.00 70.22 C ATOM 1233 O LEU A 77 -5.642 -4.248 -2.481 1.00 13.53 O ATOM 1234 CB LEU A 77 -4.768 -0.878 -2.243 1.00 72.33 C ATOM 1235 CG LEU A 77 -3.533 -0.301 -1.455 1.00 2.14 C ATOM 1236 CD1 LEU A 77 -2.228 -0.310 -2.293 1.00 2.43 C ATOM 1237 CD2 LEU A 77 -3.848 1.109 -0.911 1.00 63.12 C ATOM 0 H LEU A 77 -3.999 -0.849 -4.564 1.00 75.43 H new ATOM 0 HA LEU A 77 -3.711 -2.745 -2.552 1.00 11.50 H new ATOM 0 HB2 LEU A 77 -5.120 -0.115 -2.938 1.00 72.33 H new ATOM 0 HB3 LEU A 77 -5.575 -1.059 -1.533 1.00 72.33 H new ATOM 0 HG LEU A 77 -3.353 -0.965 -0.610 1.00 2.14 H new ATOM 0 HD11 LEU A 77 -1.411 0.099 -1.698 1.00 2.43 H new ATOM 0 HD12 LEU A 77 -1.989 -1.333 -2.583 1.00 2.43 H new ATOM 0 HD13 LEU A 77 -2.366 0.298 -3.187 1.00 2.43 H new ATOM 0 HD21 LEU A 77 -2.983 1.492 -0.369 1.00 63.12 H new ATOM 0 HD22 LEU A 77 -4.080 1.776 -1.741 1.00 63.12 H new ATOM 0 HD23 LEU A 77 -4.704 1.056 -0.238 1.00 63.12 H new ATOM 1249 N GLU A 78 -6.802 -2.757 -3.744 1.00 21.35 N ATOM 1250 CA GLU A 78 -8.060 -3.519 -3.726 1.00 41.12 C ATOM 1251 C GLU A 78 -7.995 -4.781 -4.620 1.00 1.20 C ATOM 1252 O GLU A 78 -8.494 -5.825 -4.229 1.00 71.04 O ATOM 1253 CB GLU A 78 -9.262 -2.651 -4.154 1.00 53.54 C ATOM 1254 CG GLU A 78 -10.624 -3.297 -3.807 1.00 44.02 C ATOM 1255 CD GLU A 78 -11.817 -2.626 -4.505 1.00 33.44 C ATOM 1256 OE1 GLU A 78 -12.116 -2.993 -5.666 1.00 43.04 O ATOM 1257 OE2 GLU A 78 -12.449 -1.733 -3.903 1.00 34.42 O ATOM 0 H GLU A 78 -6.825 -1.924 -4.333 1.00 21.35 H new ATOM 0 HA GLU A 78 -8.201 -3.835 -2.692 1.00 41.12 H new ATOM 0 HB2 GLU A 78 -9.193 -1.678 -3.668 1.00 53.54 H new ATOM 0 HB3 GLU A 78 -9.212 -2.475 -5.228 1.00 53.54 H new ATOM 0 HG2 GLU A 78 -10.598 -4.351 -4.083 1.00 44.02 H new ATOM 0 HG3 GLU A 78 -10.773 -3.254 -2.728 1.00 44.02 H new ATOM 1264 N LYS A 79 -7.404 -4.675 -5.824 1.00 22.44 N ATOM 1265 CA LYS A 79 -7.308 -5.825 -6.771 1.00 0.51 C ATOM 1266 C LYS A 79 -6.445 -6.949 -6.190 1.00 64.21 C ATOM 1267 O LYS A 79 -6.800 -8.117 -6.300 1.00 44.51 O ATOM 1268 CB LYS A 79 -6.773 -5.352 -8.140 1.00 60.12 C ATOM 1269 CG LYS A 79 -6.506 -6.442 -9.203 1.00 62.45 C ATOM 1270 CD LYS A 79 -6.068 -5.833 -10.561 1.00 54.53 C ATOM 1271 CE LYS A 79 -4.792 -4.979 -10.452 1.00 10.45 C ATOM 1272 NZ LYS A 79 -4.505 -4.240 -11.711 1.00 24.44 N ATOM 0 H LYS A 79 -6.984 -3.813 -6.172 1.00 22.44 H new ATOM 0 HA LYS A 79 -8.309 -6.231 -6.921 1.00 0.51 H new ATOM 0 HB2 LYS A 79 -7.487 -4.641 -8.556 1.00 60.12 H new ATOM 0 HB3 LYS A 79 -5.843 -4.808 -7.971 1.00 60.12 H new ATOM 0 HG2 LYS A 79 -5.731 -7.119 -8.842 1.00 62.45 H new ATOM 0 HG3 LYS A 79 -7.408 -7.037 -9.346 1.00 62.45 H new ATOM 0 HD2 LYS A 79 -5.900 -6.638 -11.277 1.00 54.53 H new ATOM 0 HD3 LYS A 79 -6.877 -5.219 -10.956 1.00 54.53 H new ATOM 0 HE2 LYS A 79 -4.900 -4.269 -9.632 1.00 10.45 H new ATOM 0 HE3 LYS A 79 -3.946 -5.621 -10.208 1.00 10.45 H new ATOM 0 HZ1 LYS A 79 -3.487 -4.034 -11.768 1.00 24.44 H new ATOM 0 HZ2 LYS A 79 -4.788 -4.820 -12.526 1.00 24.44 H new ATOM 0 HZ3 LYS A 79 -5.039 -3.348 -11.719 1.00 24.44 H new ATOM 1286 N LEU A 80 -5.343 -6.568 -5.534 1.00 34.04 N ATOM 1287 CA LEU A 80 -4.409 -7.517 -4.901 1.00 63.55 C ATOM 1288 C LEU A 80 -5.014 -8.078 -3.591 1.00 71.12 C ATOM 1289 O LEU A 80 -4.807 -9.254 -3.260 1.00 62.43 O ATOM 1290 CB LEU A 80 -3.044 -6.830 -4.657 1.00 64.13 C ATOM 1291 CG LEU A 80 -2.271 -6.341 -5.932 1.00 22.22 C ATOM 1292 CD1 LEU A 80 -0.968 -5.602 -5.539 1.00 72.11 C ATOM 1293 CD2 LEU A 80 -2.004 -7.500 -6.925 1.00 24.03 C ATOM 0 H LEU A 80 -5.070 -5.591 -5.425 1.00 34.04 H new ATOM 0 HA LEU A 80 -4.243 -8.362 -5.570 1.00 63.55 H new ATOM 0 HB2 LEU A 80 -3.205 -5.971 -4.005 1.00 64.13 H new ATOM 0 HB3 LEU A 80 -2.403 -7.526 -4.115 1.00 64.13 H new ATOM 0 HG LEU A 80 -2.909 -5.627 -6.453 1.00 22.22 H new ATOM 0 HD11 LEU A 80 -0.450 -5.273 -6.440 1.00 72.11 H new ATOM 0 HD12 LEU A 80 -1.212 -4.736 -4.924 1.00 72.11 H new ATOM 0 HD13 LEU A 80 -0.323 -6.276 -4.976 1.00 72.11 H new ATOM 0 HD21 LEU A 80 -1.467 -7.119 -7.793 1.00 24.03 H new ATOM 0 HD22 LEU A 80 -1.404 -8.267 -6.436 1.00 24.03 H new ATOM 0 HD23 LEU A 80 -2.953 -7.930 -7.245 1.00 24.03 H new ATOM 1305 N LEU A 81 -5.764 -7.222 -2.861 1.00 62.12 N ATOM 1306 CA LEU A 81 -6.684 -7.652 -1.770 1.00 15.51 C ATOM 1307 C LEU A 81 -7.610 -8.791 -2.263 1.00 43.41 C ATOM 1308 O LEU A 81 -7.778 -9.836 -1.604 1.00 53.31 O ATOM 1309 CB LEU A 81 -7.543 -6.431 -1.344 1.00 10.23 C ATOM 1310 CG LEU A 81 -8.705 -6.662 -0.326 1.00 1.02 C ATOM 1311 CD1 LEU A 81 -8.188 -6.728 1.115 1.00 2.23 C ATOM 1312 CD2 LEU A 81 -9.808 -5.586 -0.484 1.00 23.02 C ATOM 0 H LEU A 81 -5.752 -6.213 -3.007 1.00 62.12 H new ATOM 0 HA LEU A 81 -6.103 -8.022 -0.925 1.00 15.51 H new ATOM 0 HB2 LEU A 81 -6.872 -5.685 -0.919 1.00 10.23 H new ATOM 0 HB3 LEU A 81 -7.973 -5.996 -2.246 1.00 10.23 H new ATOM 0 HG LEU A 81 -9.152 -7.630 -0.552 1.00 1.02 H new ATOM 0 HD11 LEU A 81 -9.025 -6.890 1.795 1.00 2.23 H new ATOM 0 HD12 LEU A 81 -7.479 -7.551 1.210 1.00 2.23 H new ATOM 0 HD13 LEU A 81 -7.692 -5.791 1.367 1.00 2.23 H new ATOM 0 HD21 LEU A 81 -10.604 -5.772 0.237 1.00 23.02 H new ATOM 0 HD22 LEU A 81 -9.381 -4.599 -0.307 1.00 23.02 H new ATOM 0 HD23 LEU A 81 -10.216 -5.629 -1.494 1.00 23.02 H new ATOM 1324 N GLN A 82 -8.190 -8.572 -3.455 1.00 35.12 N ATOM 1325 CA GLN A 82 -9.110 -9.522 -4.077 1.00 24.53 C ATOM 1326 C GLN A 82 -8.368 -10.763 -4.604 1.00 30.20 C ATOM 1327 O GLN A 82 -8.913 -11.846 -4.539 1.00 52.43 O ATOM 1328 CB GLN A 82 -9.947 -8.842 -5.196 1.00 35.24 C ATOM 1329 CG GLN A 82 -10.899 -7.727 -4.706 1.00 55.01 C ATOM 1330 CD GLN A 82 -11.900 -8.182 -3.638 1.00 5.01 C ATOM 1331 OE1 GLN A 82 -11.527 -8.050 -2.373 1.00 64.42 O flip ATOM 1332 NE2 GLN A 82 -13.001 -8.632 -3.949 1.00 55.24 N flip ATOM 0 H GLN A 82 -8.031 -7.731 -4.009 1.00 35.12 H new ATOM 0 HA GLN A 82 -9.803 -9.862 -3.307 1.00 24.53 H new ATOM 0 HB2 GLN A 82 -9.265 -8.420 -5.935 1.00 35.24 H new ATOM 0 HB3 GLN A 82 -10.536 -9.605 -5.705 1.00 35.24 H new ATOM 0 HG2 GLN A 82 -10.304 -6.907 -4.305 1.00 55.01 H new ATOM 0 HG3 GLN A 82 -11.450 -7.333 -5.560 1.00 55.01 H new ATOM 0 HE21 GLN A 82 -13.257 -8.720 -4.933 1.00 55.24 H new ATOM 0 HE22 GLN A 82 -13.659 -8.917 -3.224 1.00 55.24 H new ATOM 1341 N ASP A 83 -7.115 -10.611 -5.086 1.00 42.24 N ATOM 1342 CA ASP A 83 -6.297 -11.766 -5.537 1.00 31.31 C ATOM 1343 C ASP A 83 -6.001 -12.688 -4.351 1.00 1.12 C ATOM 1344 O ASP A 83 -5.995 -13.918 -4.485 1.00 54.12 O ATOM 1345 CB ASP A 83 -4.972 -11.319 -6.225 1.00 31.41 C ATOM 1346 CG ASP A 83 -5.183 -10.734 -7.635 1.00 54.12 C ATOM 1347 OD1 ASP A 83 -5.708 -11.464 -8.506 1.00 31.01 O ATOM 1348 OD2 ASP A 83 -4.782 -9.575 -7.895 1.00 33.43 O ATOM 0 H ASP A 83 -6.648 -9.708 -5.174 1.00 42.24 H new ATOM 0 HA ASP A 83 -6.876 -12.309 -6.285 1.00 31.31 H new ATOM 0 HB2 ASP A 83 -4.480 -10.574 -5.600 1.00 31.41 H new ATOM 0 HB3 ASP A 83 -4.299 -12.174 -6.291 1.00 31.41 H new ATOM 1353 N ALA A 84 -5.793 -12.069 -3.190 1.00 71.45 N ATOM 1354 CA ALA A 84 -5.641 -12.778 -1.926 1.00 23.50 C ATOM 1355 C ALA A 84 -6.944 -13.532 -1.558 1.00 23.22 C ATOM 1356 O ALA A 84 -6.903 -14.712 -1.202 1.00 34.33 O ATOM 1357 CB ALA A 84 -5.237 -11.778 -0.840 1.00 4.55 C ATOM 0 H ALA A 84 -5.725 -11.055 -3.102 1.00 71.45 H new ATOM 0 HA ALA A 84 -4.857 -13.530 -2.018 1.00 23.50 H new ATOM 0 HB1 ALA A 84 -5.121 -12.300 0.110 1.00 4.55 H new ATOM 0 HB2 ALA A 84 -4.293 -11.306 -1.113 1.00 4.55 H new ATOM 0 HB3 ALA A 84 -6.009 -11.015 -0.743 1.00 4.55 H new ATOM 1363 N TYR A 85 -8.096 -12.840 -1.685 1.00 54.05 N ATOM 1364 CA TYR A 85 -9.424 -13.423 -1.359 1.00 74.24 C ATOM 1365 C TYR A 85 -9.925 -14.488 -2.376 1.00 74.33 C ATOM 1366 O TYR A 85 -10.678 -15.391 -1.996 1.00 20.22 O ATOM 1367 CB TYR A 85 -10.493 -12.300 -1.229 1.00 11.40 C ATOM 1368 CG TYR A 85 -10.438 -11.482 0.073 1.00 1.50 C ATOM 1369 CD1 TYR A 85 -10.187 -12.099 1.308 1.00 31.13 C ATOM 1370 CD2 TYR A 85 -10.681 -10.110 0.077 1.00 33.23 C ATOM 1371 CE1 TYR A 85 -10.180 -11.372 2.481 1.00 23.30 C ATOM 1372 CE2 TYR A 85 -10.669 -9.384 1.250 1.00 62.24 C ATOM 1373 CZ TYR A 85 -10.418 -10.017 2.447 1.00 32.34 C ATOM 1374 OH TYR A 85 -10.416 -9.298 3.619 1.00 65.53 O ATOM 0 H TYR A 85 -8.138 -11.875 -2.011 1.00 54.05 H new ATOM 0 HA TYR A 85 -9.285 -13.939 -0.409 1.00 74.24 H new ATOM 0 HB2 TYR A 85 -10.382 -11.617 -2.072 1.00 11.40 H new ATOM 0 HB3 TYR A 85 -11.481 -12.752 -1.313 1.00 11.40 H new ATOM 0 HD1 TYR A 85 -9.996 -13.161 1.341 1.00 31.13 H new ATOM 0 HD2 TYR A 85 -10.883 -9.605 -0.856 1.00 33.23 H new ATOM 0 HE1 TYR A 85 -9.988 -11.865 3.423 1.00 23.30 H new ATOM 0 HE2 TYR A 85 -10.856 -8.321 1.230 1.00 62.24 H new ATOM 0 HH TYR A 85 -10.599 -8.355 3.425 1.00 65.53 H new ATOM 1384 N GLU A 86 -9.534 -14.384 -3.655 1.00 52.54 N ATOM 1385 CA GLU A 86 -10.200 -15.142 -4.757 1.00 61.20 C ATOM 1386 C GLU A 86 -9.411 -16.397 -5.213 1.00 3.41 C ATOM 1387 O GLU A 86 -9.614 -16.885 -6.325 1.00 34.24 O ATOM 1388 CB GLU A 86 -10.522 -14.169 -5.932 1.00 2.05 C ATOM 1389 CG GLU A 86 -11.595 -13.075 -5.588 1.00 40.23 C ATOM 1390 CD GLU A 86 -12.993 -13.281 -6.208 1.00 1.22 C ATOM 1391 OE1 GLU A 86 -13.228 -14.297 -6.905 1.00 32.04 O ATOM 1392 OE2 GLU A 86 -13.870 -12.416 -5.992 1.00 74.31 O ATOM 0 H GLU A 86 -8.765 -13.789 -3.964 1.00 52.54 H new ATOM 0 HA GLU A 86 -11.136 -15.545 -4.369 1.00 61.20 H new ATOM 0 HB2 GLU A 86 -9.601 -13.674 -6.241 1.00 2.05 H new ATOM 0 HB3 GLU A 86 -10.873 -14.751 -6.784 1.00 2.05 H new ATOM 0 HG2 GLU A 86 -11.703 -13.028 -4.504 1.00 40.23 H new ATOM 0 HG3 GLU A 86 -11.215 -12.106 -5.912 1.00 40.23 H new ATOM 1399 N ARG A 87 -8.544 -16.917 -4.327 1.00 44.05 N ATOM 1400 CA ARG A 87 -7.971 -18.285 -4.407 1.00 33.32 C ATOM 1401 C ARG A 87 -7.628 -18.733 -2.974 1.00 34.34 C ATOM 1402 O ARG A 87 -6.536 -18.423 -2.464 1.00 52.43 O ATOM 1403 CB ARG A 87 -6.724 -18.414 -5.358 1.00 63.43 C ATOM 1404 CG ARG A 87 -7.063 -18.580 -6.867 1.00 74.41 C ATOM 1405 CD ARG A 87 -5.834 -18.899 -7.735 1.00 21.32 C ATOM 1406 NE ARG A 87 -5.306 -20.263 -7.494 1.00 41.32 N ATOM 1407 CZ ARG A 87 -4.209 -20.787 -8.084 1.00 64.31 C ATOM 1408 NH1 ARG A 87 -3.481 -20.063 -8.939 1.00 14.22 N ATOM 1409 NH2 ARG A 87 -3.864 -22.047 -7.832 1.00 63.41 N ATOM 0 H ARG A 87 -8.211 -16.394 -3.517 1.00 44.05 H new ATOM 0 HA ARG A 87 -8.719 -18.937 -4.859 1.00 33.32 H new ATOM 0 HB2 ARG A 87 -6.100 -17.529 -5.236 1.00 63.43 H new ATOM 0 HB3 ARG A 87 -6.129 -19.270 -5.038 1.00 63.43 H new ATOM 0 HG2 ARG A 87 -7.797 -19.378 -6.982 1.00 74.41 H new ATOM 0 HG3 ARG A 87 -7.528 -17.664 -7.231 1.00 74.41 H new ATOM 0 HD2 ARG A 87 -6.100 -18.797 -8.787 1.00 21.32 H new ATOM 0 HD3 ARG A 87 -5.051 -18.169 -7.532 1.00 21.32 H new ATOM 0 HE ARG A 87 -5.810 -20.852 -6.831 1.00 41.32 H new ATOM 0 HH11 ARG A 87 -3.751 -19.103 -9.153 1.00 14.22 H new ATOM 0 HH12 ARG A 87 -2.655 -20.470 -9.378 1.00 14.22 H new ATOM 0 HH21 ARG A 87 -4.427 -22.612 -7.196 1.00 63.41 H new ATOM 0 HH22 ARG A 87 -3.037 -22.448 -8.275 1.00 63.41 H new ATOM 1423 N SER A 88 -8.619 -19.409 -2.334 1.00 31.14 N ATOM 1424 CA SER A 88 -8.577 -19.852 -0.922 1.00 0.20 C ATOM 1425 C SER A 88 -8.619 -18.638 0.040 1.00 42.11 C ATOM 1426 O SER A 88 -8.614 -17.477 -0.398 1.00 52.02 O ATOM 1427 CB SER A 88 -7.322 -20.737 -0.663 1.00 30.20 C ATOM 1428 OG SER A 88 -7.223 -21.171 0.688 1.00 63.33 O ATOM 0 H SER A 88 -9.489 -19.665 -2.801 1.00 31.14 H new ATOM 0 HA SER A 88 -9.461 -20.458 -0.726 1.00 0.20 H new ATOM 0 HB2 SER A 88 -7.356 -21.608 -1.318 1.00 30.20 H new ATOM 0 HB3 SER A 88 -6.426 -20.175 -0.926 1.00 30.20 H new ATOM 0 HG SER A 88 -6.333 -20.955 1.036 1.00 63.33 H new ATOM 1434 N GLU A 89 -8.737 -18.909 1.352 1.00 63.32 N ATOM 1435 CA GLU A 89 -8.425 -17.904 2.381 1.00 73.22 C ATOM 1436 C GLU A 89 -6.928 -18.017 2.722 1.00 64.41 C ATOM 1437 O GLU A 89 -6.117 -17.418 2.030 1.00 61.20 O ATOM 1438 CB GLU A 89 -9.303 -18.053 3.647 1.00 30.25 C ATOM 1439 CG GLU A 89 -10.796 -17.760 3.427 1.00 11.32 C ATOM 1440 CD GLU A 89 -11.616 -17.771 4.727 1.00 72.12 C ATOM 1441 OE1 GLU A 89 -11.737 -16.708 5.384 1.00 1.20 O ATOM 1442 OE2 GLU A 89 -12.132 -18.845 5.107 1.00 13.32 O ATOM 0 H GLU A 89 -9.044 -19.809 1.722 1.00 63.32 H new ATOM 0 HA GLU A 89 -8.649 -16.913 1.986 1.00 73.22 H new ATOM 0 HB2 GLU A 89 -9.198 -19.068 4.029 1.00 30.25 H new ATOM 0 HB3 GLU A 89 -8.924 -17.382 4.417 1.00 30.25 H new ATOM 0 HG2 GLU A 89 -10.901 -16.787 2.947 1.00 11.32 H new ATOM 0 HG3 GLU A 89 -11.207 -18.500 2.740 1.00 11.32 H new ATOM 1449 N SER A 90 -6.576 -18.874 3.723 1.00 33.43 N ATOM 1450 CA SER A 90 -5.210 -18.980 4.285 1.00 11.53 C ATOM 1451 C SER A 90 -4.741 -17.591 4.766 1.00 2.22 C ATOM 1452 O SER A 90 -4.211 -16.805 3.980 1.00 54.43 O ATOM 1453 CB SER A 90 -4.233 -19.614 3.253 1.00 11.02 C ATOM 1454 OG SER A 90 -4.737 -20.854 2.775 1.00 24.40 O ATOM 0 H SER A 90 -7.241 -19.512 4.161 1.00 33.43 H new ATOM 0 HA SER A 90 -5.221 -19.646 5.148 1.00 11.53 H new ATOM 0 HB2 SER A 90 -4.086 -18.930 2.417 1.00 11.02 H new ATOM 0 HB3 SER A 90 -3.258 -19.767 3.715 1.00 11.02 H new ATOM 0 HG SER A 90 -4.108 -21.234 2.126 1.00 24.40 H new ATOM 1460 N LEU A 91 -4.922 -17.309 6.073 1.00 10.51 N ATOM 1461 CA LEU A 91 -4.966 -15.933 6.622 1.00 31.24 C ATOM 1462 C LEU A 91 -3.584 -15.237 6.740 1.00 11.03 C ATOM 1463 O LEU A 91 -3.387 -14.352 7.571 1.00 51.24 O ATOM 1464 CB LEU A 91 -5.731 -15.950 7.975 1.00 33.31 C ATOM 1465 CG LEU A 91 -7.200 -16.503 7.903 1.00 54.45 C ATOM 1466 CD1 LEU A 91 -7.872 -16.570 9.294 1.00 1.32 C ATOM 1467 CD2 LEU A 91 -8.059 -15.682 6.913 1.00 71.32 C ATOM 0 H LEU A 91 -5.043 -18.032 6.783 1.00 10.51 H new ATOM 0 HA LEU A 91 -5.503 -15.318 5.900 1.00 31.24 H new ATOM 0 HB2 LEU A 91 -5.167 -16.553 8.686 1.00 33.31 H new ATOM 0 HB3 LEU A 91 -5.760 -14.935 8.371 1.00 33.31 H new ATOM 0 HG LEU A 91 -7.133 -17.525 7.531 1.00 54.45 H new ATOM 0 HD11 LEU A 91 -8.885 -16.958 9.190 1.00 1.32 H new ATOM 0 HD12 LEU A 91 -7.296 -17.228 9.945 1.00 1.32 H new ATOM 0 HD13 LEU A 91 -7.909 -15.571 9.729 1.00 1.32 H new ATOM 0 HD21 LEU A 91 -9.070 -16.088 6.885 1.00 71.32 H new ATOM 0 HD22 LEU A 91 -8.095 -14.642 7.238 1.00 71.32 H new ATOM 0 HD23 LEU A 91 -7.618 -15.736 5.917 1.00 71.32 H new ATOM 1479 N GLU A 92 -2.654 -15.627 5.868 1.00 64.01 N ATOM 1480 CA GLU A 92 -1.500 -14.801 5.480 1.00 55.30 C ATOM 1481 C GLU A 92 -1.965 -13.763 4.424 1.00 32.13 C ATOM 1482 O GLU A 92 -1.269 -12.787 4.130 1.00 24.10 O ATOM 1483 CB GLU A 92 -0.395 -15.742 4.948 1.00 40.10 C ATOM 1484 CG GLU A 92 0.044 -16.791 5.997 1.00 11.43 C ATOM 1485 CD GLU A 92 0.824 -17.967 5.406 1.00 14.31 C ATOM 1486 OE1 GLU A 92 0.274 -18.671 4.533 1.00 53.30 O ATOM 1487 OE2 GLU A 92 1.966 -18.226 5.842 1.00 73.05 O ATOM 0 H GLU A 92 -2.677 -16.535 5.403 1.00 64.01 H new ATOM 0 HA GLU A 92 -1.091 -14.245 6.324 1.00 55.30 H new ATOM 0 HB2 GLU A 92 -0.756 -16.254 4.056 1.00 40.10 H new ATOM 0 HB3 GLU A 92 0.469 -15.149 4.648 1.00 40.10 H new ATOM 0 HG2 GLU A 92 0.660 -16.301 6.751 1.00 11.43 H new ATOM 0 HG3 GLU A 92 -0.840 -17.173 6.507 1.00 11.43 H new ATOM 1494 N VAL A 93 -3.184 -14.002 3.881 1.00 12.13 N ATOM 1495 CA VAL A 93 -3.939 -13.025 3.090 1.00 54.13 C ATOM 1496 C VAL A 93 -4.446 -11.897 3.995 1.00 23.23 C ATOM 1497 O VAL A 93 -4.712 -10.813 3.509 1.00 20.12 O ATOM 1498 CB VAL A 93 -5.164 -13.679 2.331 1.00 32.32 C ATOM 1499 CG1 VAL A 93 -4.693 -14.816 1.398 1.00 23.34 C ATOM 1500 CG2 VAL A 93 -6.274 -14.178 3.300 1.00 61.20 C ATOM 0 H VAL A 93 -3.668 -14.893 3.987 1.00 12.13 H new ATOM 0 HA VAL A 93 -3.257 -12.628 2.338 1.00 54.13 H new ATOM 0 HB VAL A 93 -5.610 -12.893 1.722 1.00 32.32 H new ATOM 0 HG11 VAL A 93 -5.554 -15.249 0.888 1.00 23.34 H new ATOM 0 HG12 VAL A 93 -3.997 -14.416 0.660 1.00 23.34 H new ATOM 0 HG13 VAL A 93 -4.195 -15.587 1.986 1.00 23.34 H new ATOM 0 HG21 VAL A 93 -7.089 -14.617 2.724 1.00 61.20 H new ATOM 0 HG22 VAL A 93 -5.859 -14.929 3.973 1.00 61.20 H new ATOM 0 HG23 VAL A 93 -6.653 -13.338 3.883 1.00 61.20 H new ATOM 1510 N ALA A 94 -4.590 -12.190 5.309 1.00 64.41 N ATOM 1511 CA ALA A 94 -5.016 -11.202 6.322 1.00 0.31 C ATOM 1512 C ALA A 94 -3.910 -10.173 6.598 1.00 61.33 C ATOM 1513 O ALA A 94 -4.201 -9.031 6.982 1.00 72.54 O ATOM 1514 CB ALA A 94 -5.441 -11.906 7.614 1.00 71.22 C ATOM 0 H ALA A 94 -4.414 -13.118 5.694 1.00 64.41 H new ATOM 0 HA ALA A 94 -5.876 -10.663 5.925 1.00 0.31 H new ATOM 0 HB1 ALA A 94 -5.751 -11.163 8.348 1.00 71.22 H new ATOM 0 HB2 ALA A 94 -6.273 -12.579 7.405 1.00 71.22 H new ATOM 0 HB3 ALA A 94 -4.602 -12.478 8.010 1.00 71.22 H new ATOM 1520 N PHE A 95 -2.644 -10.602 6.416 1.00 24.01 N ATOM 1521 CA PHE A 95 -1.488 -9.694 6.381 1.00 5.14 C ATOM 1522 C PHE A 95 -1.698 -8.694 5.231 1.00 72.51 C ATOM 1523 O PHE A 95 -1.773 -7.490 5.452 1.00 0.20 O ATOM 1524 CB PHE A 95 -0.168 -10.497 6.194 1.00 61.53 C ATOM 1525 CG PHE A 95 1.075 -9.625 5.980 1.00 32.53 C ATOM 1526 CD1 PHE A 95 1.756 -9.068 7.060 1.00 41.24 C ATOM 1527 CD2 PHE A 95 1.542 -9.342 4.690 1.00 4.01 C ATOM 1528 CE1 PHE A 95 2.852 -8.252 6.859 1.00 62.52 C ATOM 1529 CE2 PHE A 95 2.640 -8.535 4.494 1.00 70.54 C ATOM 1530 CZ PHE A 95 3.297 -7.988 5.578 1.00 23.22 C ATOM 0 H PHE A 95 -2.399 -11.584 6.290 1.00 24.01 H new ATOM 0 HA PHE A 95 -1.405 -9.154 7.324 1.00 5.14 H new ATOM 0 HB2 PHE A 95 -0.011 -11.125 7.071 1.00 61.53 H new ATOM 0 HB3 PHE A 95 -0.280 -11.165 5.340 1.00 61.53 H new ATOM 0 HD1 PHE A 95 1.423 -9.277 8.066 1.00 41.24 H new ATOM 0 HD2 PHE A 95 1.033 -9.763 3.836 1.00 4.01 H new ATOM 0 HE1 PHE A 95 3.363 -7.819 7.706 1.00 62.52 H new ATOM 0 HE2 PHE A 95 2.987 -8.330 3.492 1.00 70.54 H new ATOM 0 HZ PHE A 95 4.158 -7.354 5.425 1.00 23.22 H new ATOM 1540 N VAL A 96 -1.849 -9.248 4.015 1.00 71.03 N ATOM 1541 CA VAL A 96 -2.114 -8.482 2.781 1.00 51.35 C ATOM 1542 C VAL A 96 -3.340 -7.548 2.945 1.00 74.12 C ATOM 1543 O VAL A 96 -3.282 -6.373 2.554 1.00 35.04 O ATOM 1544 CB VAL A 96 -2.282 -9.477 1.559 1.00 71.01 C ATOM 1545 CG1 VAL A 96 -3.017 -8.840 0.352 1.00 23.22 C ATOM 1546 CG2 VAL A 96 -0.897 -10.045 1.143 1.00 43.02 C ATOM 0 H VAL A 96 -1.790 -10.254 3.858 1.00 71.03 H new ATOM 0 HA VAL A 96 -1.261 -7.835 2.578 1.00 51.35 H new ATOM 0 HB VAL A 96 -2.919 -10.296 1.894 1.00 71.01 H new ATOM 0 HG11 VAL A 96 -3.100 -9.572 -0.451 1.00 23.22 H new ATOM 0 HG12 VAL A 96 -4.014 -8.523 0.659 1.00 23.22 H new ATOM 0 HG13 VAL A 96 -2.455 -7.976 -0.002 1.00 23.22 H new ATOM 0 HG21 VAL A 96 -1.021 -10.728 0.303 1.00 43.02 H new ATOM 0 HG22 VAL A 96 -0.241 -9.225 0.851 1.00 43.02 H new ATOM 0 HG23 VAL A 96 -0.456 -10.581 1.984 1.00 43.02 H new ATOM 1556 N THR A 97 -4.408 -8.068 3.594 1.00 31.45 N ATOM 1557 CA THR A 97 -5.648 -7.320 3.842 1.00 2.14 C ATOM 1558 C THR A 97 -5.351 -6.086 4.704 1.00 75.32 C ATOM 1559 O THR A 97 -5.488 -4.963 4.225 1.00 21.30 O ATOM 1560 CB THR A 97 -6.738 -8.222 4.528 1.00 41.12 C ATOM 1561 OG1 THR A 97 -7.087 -9.309 3.655 1.00 23.23 O ATOM 1562 CG2 THR A 97 -8.017 -7.438 4.903 1.00 31.40 C ATOM 0 H THR A 97 -4.427 -9.021 3.958 1.00 31.45 H new ATOM 0 HA THR A 97 -6.047 -6.997 2.881 1.00 2.14 H new ATOM 0 HB THR A 97 -6.302 -8.597 5.454 1.00 41.12 H new ATOM 0 HG1 THR A 97 -6.312 -9.897 3.539 1.00 23.23 H new ATOM 0 HG21 THR A 97 -8.733 -8.113 5.373 1.00 31.40 H new ATOM 0 HG22 THR A 97 -7.763 -6.638 5.598 1.00 31.40 H new ATOM 0 HG23 THR A 97 -8.458 -7.010 4.003 1.00 31.40 H new ATOM 1570 N GLN A 98 -4.853 -6.311 5.937 1.00 12.23 N ATOM 1571 CA GLN A 98 -4.612 -5.233 6.919 1.00 22.31 C ATOM 1572 C GLN A 98 -3.611 -4.193 6.376 1.00 63.02 C ATOM 1573 O GLN A 98 -3.783 -2.993 6.593 1.00 4.12 O ATOM 1574 CB GLN A 98 -4.104 -5.824 8.259 1.00 32.21 C ATOM 1575 CG GLN A 98 -3.891 -4.778 9.371 1.00 52.34 C ATOM 1576 CD GLN A 98 -3.316 -5.369 10.658 1.00 12.33 C ATOM 1577 OE1 GLN A 98 -4.054 -5.795 11.546 1.00 73.34 O ATOM 1578 NE2 GLN A 98 -1.992 -5.416 10.759 1.00 60.32 N ATOM 0 H GLN A 98 -4.608 -7.240 6.279 1.00 12.23 H new ATOM 0 HA GLN A 98 -5.560 -4.725 7.096 1.00 22.31 H new ATOM 0 HB2 GLN A 98 -4.819 -6.569 8.609 1.00 32.21 H new ATOM 0 HB3 GLN A 98 -3.163 -6.344 8.080 1.00 32.21 H new ATOM 0 HG2 GLN A 98 -3.220 -4.001 9.005 1.00 52.34 H new ATOM 0 HG3 GLN A 98 -4.843 -4.297 9.595 1.00 52.34 H new ATOM 0 HE21 GLN A 98 -1.410 -5.054 10.004 1.00 60.32 H new ATOM 0 HE22 GLN A 98 -1.558 -5.814 11.592 1.00 60.32 H new ATOM 1587 N LEU A 99 -2.605 -4.676 5.640 1.00 51.24 N ATOM 1588 CA LEU A 99 -1.563 -3.829 5.015 1.00 21.12 C ATOM 1589 C LEU A 99 -2.189 -2.854 4.004 1.00 20.14 C ATOM 1590 O LEU A 99 -2.022 -1.624 4.132 1.00 71.34 O ATOM 1591 CB LEU A 99 -0.497 -4.729 4.317 1.00 25.24 C ATOM 1592 CG LEU A 99 0.673 -5.312 5.199 1.00 51.31 C ATOM 1593 CD1 LEU A 99 1.960 -4.478 5.063 1.00 10.51 C ATOM 1594 CD2 LEU A 99 0.289 -5.467 6.695 1.00 62.14 C ATOM 0 H LEU A 99 -2.483 -5.672 5.455 1.00 51.24 H new ATOM 0 HA LEU A 99 -1.076 -3.242 5.794 1.00 21.12 H new ATOM 0 HB2 LEU A 99 -1.018 -5.568 3.857 1.00 25.24 H new ATOM 0 HB3 LEU A 99 -0.049 -4.151 3.509 1.00 25.24 H new ATOM 0 HG LEU A 99 0.862 -6.312 4.809 1.00 51.31 H new ATOM 0 HD11 LEU A 99 2.742 -4.912 5.686 1.00 10.51 H new ATOM 0 HD12 LEU A 99 2.284 -4.476 4.022 1.00 10.51 H new ATOM 0 HD13 LEU A 99 1.766 -3.455 5.385 1.00 10.51 H new ATOM 0 HD21 LEU A 99 1.136 -5.873 7.248 1.00 62.14 H new ATOM 0 HD22 LEU A 99 0.021 -4.493 7.105 1.00 62.14 H new ATOM 0 HD23 LEU A 99 -0.560 -6.144 6.784 1.00 62.14 H new ATOM 1606 N VAL A 100 -2.932 -3.405 3.016 1.00 60.21 N ATOM 1607 CA VAL A 100 -3.578 -2.578 1.983 1.00 73.11 C ATOM 1608 C VAL A 100 -4.712 -1.726 2.583 1.00 30.21 C ATOM 1609 O VAL A 100 -5.042 -0.689 2.022 1.00 24.42 O ATOM 1610 CB VAL A 100 -4.096 -3.415 0.751 1.00 31.11 C ATOM 1611 CG1 VAL A 100 -2.947 -4.229 0.106 1.00 35.41 C ATOM 1612 CG2 VAL A 100 -5.306 -4.308 1.103 1.00 64.44 C ATOM 0 H VAL A 100 -3.095 -4.407 2.917 1.00 60.21 H new ATOM 0 HA VAL A 100 -2.805 -1.912 1.600 1.00 73.11 H new ATOM 0 HB VAL A 100 -4.454 -2.700 0.011 1.00 31.11 H new ATOM 0 HG11 VAL A 100 -3.334 -4.796 -0.741 1.00 35.41 H new ATOM 0 HG12 VAL A 100 -2.168 -3.549 -0.238 1.00 35.41 H new ATOM 0 HG13 VAL A 100 -2.530 -4.916 0.842 1.00 35.41 H new ATOM 0 HG21 VAL A 100 -5.620 -4.861 0.218 1.00 64.44 H new ATOM 0 HG22 VAL A 100 -5.024 -5.010 1.888 1.00 64.44 H new ATOM 0 HG23 VAL A 100 -6.129 -3.684 1.452 1.00 64.44 H new ATOM 1622 N LYS A 101 -5.273 -2.165 3.744 1.00 2.13 N ATOM 1623 CA LYS A 101 -6.258 -1.370 4.511 1.00 50.53 C ATOM 1624 C LYS A 101 -5.588 -0.111 5.080 1.00 24.14 C ATOM 1625 O LYS A 101 -6.110 0.980 4.919 1.00 30.41 O ATOM 1626 CB LYS A 101 -6.899 -2.177 5.685 1.00 75.12 C ATOM 1627 CG LYS A 101 -7.865 -3.329 5.311 1.00 23.22 C ATOM 1628 CD LYS A 101 -9.149 -2.894 4.545 1.00 71.22 C ATOM 1629 CE LYS A 101 -9.012 -2.967 3.012 1.00 71.43 C ATOM 1630 NZ LYS A 101 -10.302 -2.680 2.321 1.00 74.45 N ATOM 0 H LYS A 101 -5.055 -3.068 4.165 1.00 2.13 H new ATOM 0 HA LYS A 101 -7.054 -1.101 3.816 1.00 50.53 H new ATOM 0 HB2 LYS A 101 -6.092 -2.595 6.287 1.00 75.12 H new ATOM 0 HB3 LYS A 101 -7.440 -1.476 6.320 1.00 75.12 H new ATOM 0 HG2 LYS A 101 -7.324 -4.052 4.700 1.00 23.22 H new ATOM 0 HG3 LYS A 101 -8.163 -3.843 6.225 1.00 23.22 H new ATOM 0 HD2 LYS A 101 -9.979 -3.527 4.857 1.00 71.22 H new ATOM 0 HD3 LYS A 101 -9.403 -1.873 4.830 1.00 71.22 H new ATOM 0 HE2 LYS A 101 -8.257 -2.254 2.681 1.00 71.43 H new ATOM 0 HE3 LYS A 101 -8.661 -3.958 2.726 1.00 71.43 H new ATOM 0 HZ1 LYS A 101 -10.165 -2.740 1.292 1.00 74.45 H new ATOM 0 HZ2 LYS A 101 -11.016 -3.376 2.616 1.00 74.45 H new ATOM 0 HZ3 LYS A 101 -10.625 -1.724 2.572 1.00 74.45 H new ATOM 1644 N LYS A 102 -4.427 -0.287 5.744 1.00 65.41 N ATOM 1645 CA LYS A 102 -3.691 0.834 6.363 1.00 50.41 C ATOM 1646 C LYS A 102 -3.268 1.843 5.295 1.00 50.02 C ATOM 1647 O LYS A 102 -3.516 3.043 5.443 1.00 33.34 O ATOM 1648 CB LYS A 102 -2.451 0.333 7.158 1.00 70.12 C ATOM 1649 CG LYS A 102 -2.784 -0.574 8.361 1.00 33.52 C ATOM 1650 CD LYS A 102 -3.629 0.127 9.453 1.00 25.33 C ATOM 1651 CE LYS A 102 -2.856 1.241 10.179 1.00 71.45 C ATOM 1652 NZ LYS A 102 -3.657 1.864 11.269 1.00 14.32 N ATOM 0 H LYS A 102 -3.979 -1.195 5.865 1.00 65.41 H new ATOM 0 HA LYS A 102 -4.361 1.324 7.069 1.00 50.41 H new ATOM 0 HB2 LYS A 102 -1.796 -0.212 6.479 1.00 70.12 H new ATOM 0 HB3 LYS A 102 -1.891 1.197 7.515 1.00 70.12 H new ATOM 0 HG2 LYS A 102 -3.323 -1.452 8.005 1.00 33.52 H new ATOM 0 HG3 LYS A 102 -1.854 -0.929 8.805 1.00 33.52 H new ATOM 0 HD2 LYS A 102 -4.525 0.549 8.998 1.00 25.33 H new ATOM 0 HD3 LYS A 102 -3.960 -0.613 10.181 1.00 25.33 H new ATOM 0 HE2 LYS A 102 -1.936 0.830 10.596 1.00 71.45 H new ATOM 0 HE3 LYS A 102 -2.566 2.007 9.460 1.00 71.45 H new ATOM 0 HZ1 LYS A 102 -3.096 2.609 11.730 1.00 14.32 H new ATOM 0 HZ2 LYS A 102 -4.523 2.280 10.870 1.00 14.32 H new ATOM 0 HZ3 LYS A 102 -3.912 1.139 11.970 1.00 14.32 H new ATOM 1666 N LEU A 103 -2.669 1.336 4.199 1.00 21.33 N ATOM 1667 CA LEU A 103 -2.229 2.191 3.086 1.00 71.14 C ATOM 1668 C LEU A 103 -3.440 2.836 2.357 1.00 64.25 C ATOM 1669 O LEU A 103 -3.320 3.948 1.847 1.00 22.12 O ATOM 1670 CB LEU A 103 -1.312 1.410 2.105 1.00 41.01 C ATOM 1671 CG LEU A 103 -0.582 2.277 1.018 1.00 22.03 C ATOM 1672 CD1 LEU A 103 0.213 3.450 1.660 1.00 11.21 C ATOM 1673 CD2 LEU A 103 0.328 1.400 0.117 1.00 20.20 C ATOM 0 H LEU A 103 -2.481 0.343 4.064 1.00 21.33 H new ATOM 0 HA LEU A 103 -1.636 3.004 3.504 1.00 71.14 H new ATOM 0 HB2 LEU A 103 -0.558 0.879 2.686 1.00 41.01 H new ATOM 0 HB3 LEU A 103 -1.913 0.655 1.598 1.00 41.01 H new ATOM 0 HG LEU A 103 -1.350 2.718 0.382 1.00 22.03 H new ATOM 0 HD11 LEU A 103 0.705 4.028 0.877 1.00 11.21 H new ATOM 0 HD12 LEU A 103 -0.472 4.095 2.211 1.00 11.21 H new ATOM 0 HD13 LEU A 103 0.964 3.051 2.342 1.00 11.21 H new ATOM 0 HD21 LEU A 103 0.820 2.029 -0.625 1.00 20.20 H new ATOM 0 HD22 LEU A 103 1.082 0.907 0.731 1.00 20.20 H new ATOM 0 HD23 LEU A 103 -0.277 0.647 -0.388 1.00 20.20 H new ATOM 1685 N LEU A 104 -4.602 2.126 2.343 1.00 45.54 N ATOM 1686 CA LEU A 104 -5.903 2.673 1.848 1.00 4.34 C ATOM 1687 C LEU A 104 -6.249 3.936 2.658 1.00 40.04 C ATOM 1688 O LEU A 104 -6.484 5.001 2.103 1.00 64.32 O ATOM 1689 CB LEU A 104 -7.059 1.607 2.013 1.00 12.43 C ATOM 1690 CG LEU A 104 -8.169 1.541 0.911 1.00 45.43 C ATOM 1691 CD1 LEU A 104 -8.870 2.903 0.681 1.00 71.22 C ATOM 1692 CD2 LEU A 104 -7.588 0.957 -0.398 1.00 14.33 C ATOM 0 H LEU A 104 -4.666 1.163 2.672 1.00 45.54 H new ATOM 0 HA LEU A 104 -5.808 2.915 0.789 1.00 4.34 H new ATOM 0 HB2 LEU A 104 -6.596 0.622 2.079 1.00 12.43 H new ATOM 0 HB3 LEU A 104 -7.549 1.793 2.968 1.00 12.43 H new ATOM 0 HG LEU A 104 -8.949 0.870 1.270 1.00 45.43 H new ATOM 0 HD11 LEU A 104 -9.629 2.795 -0.094 1.00 71.22 H new ATOM 0 HD12 LEU A 104 -9.341 3.231 1.608 1.00 71.22 H new ATOM 0 HD13 LEU A 104 -8.134 3.643 0.367 1.00 71.22 H new ATOM 0 HD21 LEU A 104 -8.370 0.916 -1.157 1.00 14.33 H new ATOM 0 HD22 LEU A 104 -6.774 1.591 -0.749 1.00 14.33 H new ATOM 0 HD23 LEU A 104 -7.210 -0.048 -0.212 1.00 14.33 H new ATOM 1704 N ILE A 105 -6.232 3.758 3.985 1.00 22.33 N ATOM 1705 CA ILE A 105 -6.599 4.777 4.985 1.00 23.01 C ATOM 1706 C ILE A 105 -5.623 5.990 4.958 1.00 21.34 C ATOM 1707 O ILE A 105 -6.027 7.133 5.226 1.00 40.42 O ATOM 1708 CB ILE A 105 -6.653 4.083 6.414 1.00 75.31 C ATOM 1709 CG1 ILE A 105 -7.816 3.023 6.456 1.00 13.01 C ATOM 1710 CG2 ILE A 105 -6.775 5.103 7.577 1.00 53.34 C ATOM 1711 CD1 ILE A 105 -7.796 2.096 7.663 1.00 64.02 C ATOM 0 H ILE A 105 -5.954 2.873 4.409 1.00 22.33 H new ATOM 0 HA ILE A 105 -7.582 5.184 4.748 1.00 23.01 H new ATOM 0 HB ILE A 105 -5.702 3.572 6.563 1.00 75.31 H new ATOM 0 HG12 ILE A 105 -8.770 3.551 6.437 1.00 13.01 H new ATOM 0 HG13 ILE A 105 -7.769 2.418 5.551 1.00 13.01 H new ATOM 0 HG21 ILE A 105 -6.807 4.569 8.527 1.00 53.34 H new ATOM 0 HG22 ILE A 105 -5.915 5.772 7.566 1.00 53.34 H new ATOM 0 HG23 ILE A 105 -7.689 5.685 7.456 1.00 53.34 H new ATOM 0 HD11 ILE A 105 -8.635 1.402 7.603 1.00 64.02 H new ATOM 0 HD12 ILE A 105 -6.861 1.535 7.676 1.00 64.02 H new ATOM 0 HD13 ILE A 105 -7.878 2.686 8.576 1.00 64.02 H new ATOM 1723 N ILE A 106 -4.346 5.723 4.622 1.00 11.42 N ATOM 1724 CA ILE A 106 -3.305 6.757 4.465 1.00 44.23 C ATOM 1725 C ILE A 106 -3.610 7.670 3.245 1.00 3.11 C ATOM 1726 O ILE A 106 -3.844 8.876 3.415 1.00 63.43 O ATOM 1727 CB ILE A 106 -1.887 6.069 4.330 1.00 74.31 C ATOM 1728 CG1 ILE A 106 -1.494 5.369 5.672 1.00 24.33 C ATOM 1729 CG2 ILE A 106 -0.794 7.068 3.885 1.00 50.43 C ATOM 1730 CD1 ILE A 106 -0.231 4.526 5.590 1.00 61.45 C ATOM 0 H ILE A 106 -4.006 4.777 4.451 1.00 11.42 H new ATOM 0 HA ILE A 106 -3.299 7.392 5.351 1.00 44.23 H new ATOM 0 HB ILE A 106 -1.961 5.313 3.548 1.00 74.31 H new ATOM 0 HG12 ILE A 106 -1.359 6.131 6.440 1.00 24.33 H new ATOM 0 HG13 ILE A 106 -2.320 4.735 5.993 1.00 24.33 H new ATOM 0 HG21 ILE A 106 0.162 6.550 3.806 1.00 50.43 H new ATOM 0 HG22 ILE A 106 -1.059 7.490 2.916 1.00 50.43 H new ATOM 0 HG23 ILE A 106 -0.713 7.869 4.619 1.00 50.43 H new ATOM 0 HD11 ILE A 106 -0.030 4.076 6.562 1.00 61.45 H new ATOM 0 HD12 ILE A 106 -0.366 3.740 4.848 1.00 61.45 H new ATOM 0 HD13 ILE A 106 0.610 5.157 5.301 1.00 61.45 H new ATOM 1742 N ILE A 107 -3.676 7.077 2.036 1.00 50.35 N ATOM 1743 CA ILE A 107 -3.761 7.850 0.767 1.00 11.23 C ATOM 1744 C ILE A 107 -5.193 8.357 0.481 1.00 33.04 C ATOM 1745 O ILE A 107 -5.380 9.341 -0.241 1.00 31.55 O ATOM 1746 CB ILE A 107 -3.159 7.025 -0.442 1.00 75.44 C ATOM 1747 CG1 ILE A 107 -3.869 5.638 -0.672 1.00 50.14 C ATOM 1748 CG2 ILE A 107 -1.630 6.840 -0.220 1.00 52.51 C ATOM 1749 CD1 ILE A 107 -5.147 5.648 -1.502 1.00 42.15 C ATOM 0 H ILE A 107 -3.672 6.065 1.905 1.00 50.35 H new ATOM 0 HA ILE A 107 -3.148 8.743 0.888 1.00 11.23 H new ATOM 0 HB ILE A 107 -3.340 7.597 -1.352 1.00 75.44 H new ATOM 0 HG12 ILE A 107 -3.157 4.968 -1.153 1.00 50.14 H new ATOM 0 HG13 ILE A 107 -4.101 5.210 0.303 1.00 50.14 H new ATOM 0 HG21 ILE A 107 -1.208 6.272 -1.049 1.00 52.51 H new ATOM 0 HG22 ILE A 107 -1.149 7.817 -0.167 1.00 52.51 H new ATOM 0 HG23 ILE A 107 -1.460 6.301 0.712 1.00 52.51 H new ATOM 0 HD11 ILE A 107 -5.535 4.633 -1.585 1.00 42.15 H new ATOM 0 HD12 ILE A 107 -5.890 6.282 -1.018 1.00 42.15 H new ATOM 0 HD13 ILE A 107 -4.931 6.036 -2.497 1.00 42.15 H new ATOM 1761 N SER A 108 -6.193 7.675 1.056 1.00 70.40 N ATOM 1762 CA SER A 108 -7.606 8.086 1.005 1.00 4.24 C ATOM 1763 C SER A 108 -8.158 8.025 2.436 1.00 40.42 C ATOM 1764 O SER A 108 -8.373 6.937 2.978 1.00 21.14 O ATOM 1765 CB SER A 108 -8.415 7.162 0.065 1.00 72.51 C ATOM 1766 OG SER A 108 -9.778 7.558 -0.038 1.00 41.22 O ATOM 0 H SER A 108 -6.043 6.811 1.577 1.00 70.40 H new ATOM 0 HA SER A 108 -7.691 9.098 0.609 1.00 4.24 H new ATOM 0 HB2 SER A 108 -7.961 7.168 -0.926 1.00 72.51 H new ATOM 0 HB3 SER A 108 -8.363 6.137 0.433 1.00 72.51 H new ATOM 0 HG SER A 108 -10.251 6.948 -0.642 1.00 41.22 H new