USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 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 59 SER OG : rot -110:sc= -0.053 USER MOD Set 1.2: A 80 GLN : amide:sc= 0 K(o=-0.053,f=-1.8) USER MOD Set 2.1: A 20 LYS NZ :NH3+ -144:sc= -1.4! (180deg=-3!) USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= -1.11! USER MOD Single : A 19 HIS : no HD1:sc= -2.11! C(o=-2.1!,f=-3.7!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -28:sc= 0.913 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 1:sc= -0.112 USER MOD Single : A 77 TYR OH : rot -53:sc= 0.422 USER MOD Single : A 85 TYR OH : rot -8:sc= -0.296 USER MOD Single : A 88 SER OG : rot 61:sc= -0.29 USER MOD Single : A 90 LYS NZ :NH3+ -126:sc= -1.05 (180deg=-3.02!) USER MOD Single : A 92 ASN :FLIP amide:sc= -0.0496 F(o=-1.5!,f=-0.05) USER MOD Single : A 95 HIS : no HD1:sc= -0.229 K(o=-0.23,f=-3.6!) USER MOD Single : A 99 SER OG : rot 60:sc= -0.237! USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= -0.31 USER MOD Single : B 11 SER OG : rot 180:sc= -1.63! USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N GLY A 16 113.750 6.033 29.355 1.00 2.21 N ATOM 228 CA GLY A 16 112.358 5.525 29.468 1.00 2.06 C ATOM 229 C GLY A 16 112.248 4.146 28.809 1.00 1.98 C ATOM 230 O GLY A 16 113.238 3.497 28.536 1.00 2.44 O ATOM 0 HA2 GLY A 16 112.070 5.460 30.517 1.00 2.06 H new ATOM 0 HA3 GLY A 16 111.668 6.221 28.991 1.00 2.06 H new ATOM 234 N GLY A 17 111.044 3.690 28.566 1.00 1.81 N ATOM 235 CA GLY A 17 110.851 2.351 27.941 1.00 1.74 C ATOM 236 C GLY A 17 111.847 2.135 26.796 1.00 1.78 C ATOM 237 O GLY A 17 112.106 1.018 26.401 1.00 1.80 O ATOM 0 H GLY A 17 110.182 4.194 28.776 1.00 1.81 H new ATOM 0 HA2 GLY A 17 110.980 1.572 28.693 1.00 1.74 H new ATOM 0 HA3 GLY A 17 109.832 2.264 27.564 1.00 1.74 H new ATOM 241 N ALA A 18 112.419 3.181 26.252 1.00 1.84 N ATOM 242 CA ALA A 18 113.403 2.989 25.143 1.00 1.96 C ATOM 243 C ALA A 18 114.400 1.888 25.534 1.00 2.07 C ATOM 244 O ALA A 18 115.144 1.391 24.713 1.00 2.21 O ATOM 245 CB ALA A 18 114.151 4.311 24.888 1.00 2.09 C ATOM 0 H ALA A 18 112.249 4.149 26.524 1.00 1.84 H new ATOM 0 HA ALA A 18 112.881 2.693 24.233 1.00 1.96 H new ATOM 0 HB1 ALA A 18 114.869 4.173 24.080 1.00 2.09 H new ATOM 0 HB2 ALA A 18 113.436 5.086 24.610 1.00 2.09 H new ATOM 0 HB3 ALA A 18 114.678 4.612 25.794 1.00 2.09 H new ATOM 251 N HIS A 19 114.415 1.504 26.784 1.00 2.06 N ATOM 252 CA HIS A 19 115.355 0.439 27.231 1.00 2.21 C ATOM 253 C HIS A 19 114.661 -0.930 27.171 1.00 2.15 C ATOM 254 O HIS A 19 115.174 -1.865 26.588 1.00 2.33 O ATOM 255 CB HIS A 19 115.793 0.733 28.669 1.00 2.33 C ATOM 256 CG HIS A 19 116.614 -0.413 29.196 1.00 2.51 C ATOM 257 ND1 HIS A 19 116.072 -1.669 29.420 1.00 2.79 N ATOM 258 CD2 HIS A 19 117.937 -0.508 29.549 1.00 2.86 C ATOM 259 CE1 HIS A 19 117.057 -2.458 29.887 1.00 2.87 C ATOM 260 NE2 HIS A 19 118.215 -1.800 29.985 1.00 2.87 N ATOM 0 H HIS A 19 113.814 1.885 27.515 1.00 2.06 H new ATOM 0 HA HIS A 19 116.226 0.422 26.576 1.00 2.21 H new ATOM 0 HB2 HIS A 19 116.375 1.654 28.701 1.00 2.33 H new ATOM 0 HB3 HIS A 19 114.918 0.887 29.301 1.00 2.33 H new ATOM 0 HD2 HIS A 19 118.654 0.298 29.496 1.00 2.86 H new ATOM 0 HE1 HIS A 19 116.927 -3.497 30.151 1.00 2.87 H new ATOM 0 HE2 HIS A 19 119.110 -2.166 30.309 1.00 2.87 H new ATOM 268 N LYS A 20 113.504 -1.065 27.771 1.00 2.02 N ATOM 269 CA LYS A 20 112.804 -2.384 27.739 1.00 2.01 C ATOM 270 C LYS A 20 112.305 -2.665 26.322 1.00 1.90 C ATOM 271 O LYS A 20 112.094 -3.800 25.943 1.00 1.96 O ATOM 272 CB LYS A 20 111.618 -2.374 28.722 1.00 1.99 C ATOM 273 CG LYS A 20 110.592 -1.275 28.340 1.00 1.81 C ATOM 274 CD LYS A 20 109.412 -1.879 27.553 1.00 1.74 C ATOM 275 CE LYS A 20 108.402 -0.780 27.183 1.00 1.58 C ATOM 276 NZ LYS A 20 107.766 -1.116 25.879 1.00 1.94 N ATOM 0 H LYS A 20 113.018 -0.325 28.277 1.00 2.02 H new ATOM 0 HA LYS A 20 113.501 -3.168 28.036 1.00 2.01 H new ATOM 0 HB2 LYS A 20 111.130 -3.349 28.720 1.00 1.99 H new ATOM 0 HB3 LYS A 20 111.981 -2.202 29.735 1.00 1.99 H new ATOM 0 HG2 LYS A 20 110.222 -0.787 29.242 1.00 1.81 H new ATOM 0 HG3 LYS A 20 111.081 -0.507 27.740 1.00 1.81 H new ATOM 0 HD2 LYS A 20 109.779 -2.365 26.649 1.00 1.74 H new ATOM 0 HD3 LYS A 20 108.922 -2.647 28.151 1.00 1.74 H new ATOM 0 HE2 LYS A 20 107.642 -0.692 27.959 1.00 1.58 H new ATOM 0 HE3 LYS A 20 108.905 0.185 27.118 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 107.600 -0.243 25.339 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 108.394 -1.744 25.338 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 106.859 -1.596 26.049 1.00 1.94 H new ATOM 290 N VAL A 21 112.111 -1.644 25.535 1.00 1.80 N ATOM 291 CA VAL A 21 111.623 -1.861 24.145 1.00 1.71 C ATOM 292 C VAL A 21 112.661 -2.661 23.359 1.00 1.76 C ATOM 293 O VAL A 21 113.745 -2.191 23.074 1.00 1.81 O ATOM 294 CB VAL A 21 111.386 -0.508 23.467 1.00 1.64 C ATOM 295 CG1 VAL A 21 111.072 -0.721 21.983 1.00 2.07 C ATOM 296 CG2 VAL A 21 110.204 0.198 24.139 1.00 1.75 C ATOM 0 H VAL A 21 112.269 -0.670 25.794 1.00 1.80 H new ATOM 0 HA VAL A 21 110.686 -2.417 24.171 1.00 1.71 H new ATOM 0 HB VAL A 21 112.283 0.105 23.563 1.00 1.64 H new ATOM 0 HG11 VAL A 21 110.904 0.244 21.504 1.00 2.07 H new ATOM 0 HG12 VAL A 21 111.911 -1.223 21.502 1.00 2.07 H new ATOM 0 HG13 VAL A 21 110.177 -1.335 21.885 1.00 2.07 H new ATOM 0 HG21 VAL A 21 110.034 1.161 23.658 1.00 1.75 H new ATOM 0 HG22 VAL A 21 109.310 -0.418 24.043 1.00 1.75 H new ATOM 0 HG23 VAL A 21 110.426 0.354 25.195 1.00 1.75 H new ATOM 306 N ARG A 22 112.326 -3.870 23.003 1.00 1.78 N ATOM 307 CA ARG A 22 113.267 -4.727 22.227 1.00 1.85 C ATOM 308 C ARG A 22 112.907 -4.633 20.747 1.00 1.74 C ATOM 309 O ARG A 22 111.750 -4.640 20.382 1.00 1.66 O ATOM 310 CB ARG A 22 113.121 -6.174 22.709 1.00 1.96 C ATOM 311 CG ARG A 22 113.965 -7.122 21.842 1.00 2.03 C ATOM 312 CD ARG A 22 115.435 -6.684 21.857 1.00 2.18 C ATOM 313 NE ARG A 22 116.298 -7.848 21.510 1.00 2.75 N ATOM 314 CZ ARG A 22 117.541 -7.660 21.160 1.00 3.10 C ATOM 315 NH1 ARG A 22 118.027 -6.450 21.104 1.00 3.50 N ATOM 316 NH2 ARG A 22 118.297 -8.681 20.864 1.00 3.33 N ATOM 0 H ARG A 22 111.430 -4.306 23.219 1.00 1.78 H new ATOM 0 HA ARG A 22 114.296 -4.398 22.371 1.00 1.85 H new ATOM 0 HB2 ARG A 22 113.434 -6.249 23.750 1.00 1.96 H new ATOM 0 HB3 ARG A 22 112.073 -6.472 22.669 1.00 1.96 H new ATOM 0 HG2 ARG A 22 113.878 -8.142 22.215 1.00 2.03 H new ATOM 0 HG3 ARG A 22 113.589 -7.123 20.819 1.00 2.03 H new ATOM 0 HD2 ARG A 22 115.593 -5.874 21.145 1.00 2.18 H new ATOM 0 HD3 ARG A 22 115.702 -6.299 22.841 1.00 2.18 H new ATOM 0 HE ARG A 22 115.917 -8.793 21.546 1.00 2.75 H new ATOM 0 HH11 ARG A 22 117.435 -5.652 21.334 1.00 3.50 H new ATOM 0 HH12 ARG A 22 118.999 -6.303 20.830 1.00 3.50 H new ATOM 0 HH21 ARG A 22 117.917 -9.626 20.906 1.00 3.33 H new ATOM 0 HH22 ARG A 22 119.269 -8.534 20.590 1.00 3.33 H new ATOM 330 N ALA A 23 113.889 -4.541 19.889 1.00 1.77 N ATOM 331 CA ALA A 23 113.606 -4.443 18.425 1.00 1.68 C ATOM 332 C ALA A 23 114.662 -5.233 17.653 1.00 1.77 C ATOM 333 O ALA A 23 115.826 -4.884 17.637 1.00 1.83 O ATOM 334 CB ALA A 23 113.651 -2.976 17.995 1.00 1.59 C ATOM 0 H ALA A 23 114.878 -4.529 20.139 1.00 1.77 H new ATOM 0 HA ALA A 23 112.618 -4.852 18.215 1.00 1.68 H new ATOM 0 HB1 ALA A 23 113.445 -2.903 16.927 1.00 1.59 H new ATOM 0 HB2 ALA A 23 112.901 -2.411 18.549 1.00 1.59 H new ATOM 0 HB3 ALA A 23 114.640 -2.566 18.202 1.00 1.59 H new ATOM 340 N GLY A 24 114.262 -6.297 17.013 1.00 1.80 N ATOM 341 CA GLY A 24 115.238 -7.119 16.238 1.00 1.90 C ATOM 342 C GLY A 24 114.506 -7.859 15.116 1.00 1.86 C ATOM 343 O GLY A 24 113.491 -8.490 15.337 1.00 1.86 O ATOM 0 H GLY A 24 113.300 -6.635 16.992 1.00 1.80 H new ATOM 0 HA2 GLY A 24 116.016 -6.480 15.820 1.00 1.90 H new ATOM 0 HA3 GLY A 24 115.732 -7.833 16.897 1.00 1.90 H new ATOM 347 N GLY A 25 115.011 -7.789 13.913 1.00 1.85 N ATOM 348 CA GLY A 25 114.337 -8.491 12.782 1.00 1.84 C ATOM 349 C GLY A 25 115.148 -8.298 11.498 1.00 1.84 C ATOM 350 O GLY A 25 116.084 -7.525 11.453 1.00 1.84 O ATOM 0 H GLY A 25 115.858 -7.278 13.665 1.00 1.85 H new ATOM 0 HA2 GLY A 25 114.241 -9.553 13.006 1.00 1.84 H new ATOM 0 HA3 GLY A 25 113.328 -8.101 12.648 1.00 1.84 H new ATOM 354 N THR A 26 114.792 -8.994 10.452 1.00 1.86 N ATOM 355 CA THR A 26 115.540 -8.851 9.170 1.00 1.87 C ATOM 356 C THR A 26 115.105 -7.564 8.469 1.00 1.75 C ATOM 357 O THR A 26 115.863 -6.949 7.741 1.00 1.76 O ATOM 358 CB THR A 26 115.238 -10.050 8.268 1.00 1.96 C ATOM 359 OG1 THR A 26 113.842 -10.316 8.291 1.00 2.31 O ATOM 360 CG2 THR A 26 116.002 -11.276 8.769 1.00 2.29 C ATOM 0 H THR A 26 114.016 -9.655 10.430 1.00 1.86 H new ATOM 0 HA THR A 26 116.610 -8.810 9.375 1.00 1.87 H new ATOM 0 HB THR A 26 115.550 -9.825 7.248 1.00 1.96 H new ATOM 0 HG1 THR A 26 113.645 -11.082 7.713 1.00 2.31 H new ATOM 0 HG21 THR A 26 115.785 -12.128 8.125 1.00 2.29 H new ATOM 0 HG22 THR A 26 117.072 -11.070 8.751 1.00 2.29 H new ATOM 0 HG23 THR A 26 115.694 -11.505 9.789 1.00 2.29 H new ATOM 368 N GLY A 27 113.889 -7.145 8.690 1.00 1.64 N ATOM 369 CA GLY A 27 113.408 -5.895 8.045 1.00 1.54 C ATOM 370 C GLY A 27 114.174 -4.720 8.641 1.00 1.50 C ATOM 371 O GLY A 27 114.211 -3.638 8.090 1.00 1.46 O ATOM 0 H GLY A 27 113.210 -7.615 9.289 1.00 1.64 H new ATOM 0 HA2 GLY A 27 113.563 -5.941 6.967 1.00 1.54 H new ATOM 0 HA3 GLY A 27 112.337 -5.772 8.208 1.00 1.54 H new ATOM 375 N LEU A 28 114.799 -4.937 9.765 1.00 1.57 N ATOM 376 CA LEU A 28 115.584 -3.852 10.412 1.00 1.59 C ATOM 377 C LEU A 28 116.989 -3.846 9.812 1.00 1.69 C ATOM 378 O LEU A 28 117.931 -3.369 10.413 1.00 1.83 O ATOM 379 CB LEU A 28 115.673 -4.120 11.918 1.00 1.65 C ATOM 380 CG LEU A 28 114.338 -3.782 12.600 1.00 1.58 C ATOM 381 CD1 LEU A 28 114.334 -4.373 14.014 1.00 1.66 C ATOM 382 CD2 LEU A 28 114.135 -2.254 12.678 1.00 1.61 C ATOM 0 H LEU A 28 114.799 -5.826 10.265 1.00 1.57 H new ATOM 0 HA LEU A 28 115.102 -2.888 10.246 1.00 1.59 H new ATOM 0 HB2 LEU A 28 115.924 -5.166 12.094 1.00 1.65 H new ATOM 0 HB3 LEU A 28 116.473 -3.522 12.354 1.00 1.65 H new ATOM 0 HG LEU A 28 113.524 -4.208 12.013 1.00 1.58 H new ATOM 0 HD11 LEU A 28 113.390 -4.137 14.504 1.00 1.66 H new ATOM 0 HD12 LEU A 28 114.453 -5.455 13.956 1.00 1.66 H new ATOM 0 HD13 LEU A 28 115.157 -3.948 14.588 1.00 1.66 H new ATOM 0 HD21 LEU A 28 113.184 -2.038 13.164 1.00 1.61 H new ATOM 0 HD22 LEU A 28 114.946 -1.808 13.253 1.00 1.61 H new ATOM 0 HD23 LEU A 28 114.131 -1.836 11.672 1.00 1.61 H new ATOM 394 N GLU A 29 117.132 -4.383 8.624 1.00 1.73 N ATOM 395 CA GLU A 29 118.471 -4.430 7.959 1.00 1.84 C ATOM 396 C GLU A 29 118.333 -3.970 6.504 1.00 1.75 C ATOM 397 O GLU A 29 119.065 -3.116 6.045 1.00 1.78 O ATOM 398 CB GLU A 29 119.001 -5.867 7.999 1.00 2.00 C ATOM 399 CG GLU A 29 118.702 -6.482 9.368 1.00 2.06 C ATOM 400 CD GLU A 29 119.517 -7.766 9.539 1.00 1.98 C ATOM 401 OE1 GLU A 29 119.054 -8.802 9.091 1.00 2.21 O ATOM 402 OE2 GLU A 29 120.590 -7.691 10.115 1.00 2.34 O ATOM 0 H GLU A 29 116.371 -4.794 8.083 1.00 1.73 H new ATOM 0 HA GLU A 29 119.166 -3.771 8.480 1.00 1.84 H new ATOM 0 HB2 GLU A 29 118.535 -6.460 7.212 1.00 2.00 H new ATOM 0 HB3 GLU A 29 120.075 -5.876 7.811 1.00 2.00 H new ATOM 0 HG2 GLU A 29 118.949 -5.774 10.159 1.00 2.06 H new ATOM 0 HG3 GLU A 29 117.638 -6.700 9.456 1.00 2.06 H new ATOM 409 N ARG A 30 117.401 -4.524 5.773 1.00 1.69 N ATOM 410 CA ARG A 30 117.233 -4.102 4.349 1.00 1.64 C ATOM 411 C ARG A 30 115.862 -4.555 3.827 1.00 1.59 C ATOM 412 O ARG A 30 115.060 -5.109 4.552 1.00 1.61 O ATOM 413 CB ARG A 30 118.357 -4.717 3.496 1.00 1.75 C ATOM 414 CG ARG A 30 118.740 -6.089 4.056 1.00 2.21 C ATOM 415 CD ARG A 30 119.758 -6.759 3.128 1.00 2.47 C ATOM 416 NE ARG A 30 120.443 -7.862 3.859 1.00 2.96 N ATOM 417 CZ ARG A 30 121.130 -8.755 3.201 1.00 3.36 C ATOM 418 NH1 ARG A 30 121.222 -8.681 1.901 1.00 3.77 N ATOM 419 NH2 ARG A 30 121.726 -9.723 3.842 1.00 3.76 N ATOM 0 H ARG A 30 116.754 -5.244 6.096 1.00 1.69 H new ATOM 0 HA ARG A 30 117.289 -3.015 4.284 1.00 1.64 H new ATOM 0 HB2 ARG A 30 118.029 -4.815 2.461 1.00 1.75 H new ATOM 0 HB3 ARG A 30 119.226 -4.059 3.494 1.00 1.75 H new ATOM 0 HG2 ARG A 30 119.161 -5.980 5.055 1.00 2.21 H new ATOM 0 HG3 ARG A 30 117.852 -6.715 4.150 1.00 2.21 H new ATOM 0 HD2 ARG A 30 119.257 -7.151 2.243 1.00 2.47 H new ATOM 0 HD3 ARG A 30 120.489 -6.028 2.783 1.00 2.47 H new ATOM 0 HE ARG A 30 120.375 -7.919 4.875 1.00 2.96 H new ATOM 0 HH11 ARG A 30 120.757 -7.925 1.399 1.00 3.77 H new ATOM 0 HH12 ARG A 30 121.759 -9.379 1.387 1.00 3.77 H new ATOM 0 HH21 ARG A 30 121.655 -9.782 4.858 1.00 3.76 H new ATOM 0 HH22 ARG A 30 122.263 -10.421 3.327 1.00 3.76 H new ATOM 433 N GLY A 31 115.592 -4.316 2.569 1.00 1.54 N ATOM 434 CA GLY A 31 114.281 -4.720 1.985 1.00 1.52 C ATOM 435 C GLY A 31 114.438 -4.855 0.472 1.00 1.55 C ATOM 436 O GLY A 31 115.517 -4.676 -0.058 1.00 1.57 O ATOM 0 H GLY A 31 116.229 -3.855 1.919 1.00 1.54 H new ATOM 0 HA2 GLY A 31 113.951 -5.665 2.416 1.00 1.52 H new ATOM 0 HA3 GLY A 31 113.518 -3.978 2.221 1.00 1.52 H new ATOM 440 N VAL A 32 113.377 -5.176 -0.236 1.00 1.56 N ATOM 441 CA VAL A 32 113.480 -5.326 -1.727 1.00 1.60 C ATOM 442 C VAL A 32 112.307 -4.615 -2.427 1.00 1.53 C ATOM 443 O VAL A 32 111.231 -4.466 -1.881 1.00 1.50 O ATOM 444 CB VAL A 32 113.495 -6.823 -2.070 1.00 1.75 C ATOM 445 CG1 VAL A 32 113.248 -7.039 -3.570 1.00 1.80 C ATOM 446 CG2 VAL A 32 114.856 -7.420 -1.695 1.00 1.83 C ATOM 0 H VAL A 32 112.448 -5.340 0.152 1.00 1.56 H new ATOM 0 HA VAL A 32 114.401 -4.862 -2.080 1.00 1.60 H new ATOM 0 HB VAL A 32 112.702 -7.315 -1.507 1.00 1.75 H new ATOM 0 HG11 VAL A 32 113.263 -8.106 -3.791 1.00 1.80 H new ATOM 0 HG12 VAL A 32 112.277 -6.625 -3.842 1.00 1.80 H new ATOM 0 HG13 VAL A 32 114.029 -6.539 -4.143 1.00 1.80 H new ATOM 0 HG21 VAL A 32 114.867 -8.482 -1.938 1.00 1.83 H new ATOM 0 HG22 VAL A 32 115.642 -6.912 -2.253 1.00 1.83 H new ATOM 0 HG23 VAL A 32 115.028 -7.291 -0.626 1.00 1.83 H new ATOM 456 N ALA A 33 112.535 -4.170 -3.638 1.00 1.51 N ATOM 457 CA ALA A 33 111.482 -3.448 -4.421 1.00 1.46 C ATOM 458 C ALA A 33 110.117 -4.152 -4.357 1.00 1.53 C ATOM 459 O ALA A 33 109.929 -5.233 -4.878 1.00 1.64 O ATOM 460 CB ALA A 33 111.937 -3.357 -5.894 1.00 1.51 C ATOM 0 H ALA A 33 113.424 -4.279 -4.127 1.00 1.51 H new ATOM 0 HA ALA A 33 111.359 -2.457 -3.983 1.00 1.46 H new ATOM 0 HB1 ALA A 33 111.180 -2.833 -6.477 1.00 1.51 H new ATOM 0 HB2 ALA A 33 112.879 -2.812 -5.951 1.00 1.51 H new ATOM 0 HB3 ALA A 33 112.074 -4.361 -6.295 1.00 1.51 H new ATOM 466 N GLY A 34 109.158 -3.499 -3.766 1.00 1.46 N ATOM 467 CA GLY A 34 107.776 -4.050 -3.699 1.00 1.52 C ATOM 468 C GLY A 34 107.749 -5.415 -3.018 1.00 1.62 C ATOM 469 O GLY A 34 107.115 -6.333 -3.499 1.00 1.73 O ATOM 0 H GLY A 34 109.275 -2.590 -3.318 1.00 1.46 H new ATOM 0 HA2 GLY A 34 107.134 -3.358 -3.154 1.00 1.52 H new ATOM 0 HA3 GLY A 34 107.369 -4.137 -4.706 1.00 1.52 H new ATOM 473 N VAL A 35 108.413 -5.558 -1.898 1.00 1.59 N ATOM 474 CA VAL A 35 108.410 -6.869 -1.172 1.00 1.69 C ATOM 475 C VAL A 35 107.993 -6.624 0.301 1.00 1.61 C ATOM 476 O VAL A 35 108.668 -5.880 0.985 1.00 1.55 O ATOM 477 CB VAL A 35 109.824 -7.467 -1.222 1.00 1.77 C ATOM 478 CG1 VAL A 35 109.966 -8.586 -0.182 1.00 2.04 C ATOM 479 CG2 VAL A 35 110.073 -8.046 -2.619 1.00 2.19 C ATOM 0 H VAL A 35 108.960 -4.821 -1.452 1.00 1.59 H new ATOM 0 HA VAL A 35 107.708 -7.561 -1.637 1.00 1.69 H new ATOM 0 HB VAL A 35 110.550 -6.684 -1.003 1.00 1.77 H new ATOM 0 HG11 VAL A 35 110.973 -9.001 -0.229 1.00 2.04 H new ATOM 0 HG12 VAL A 35 109.786 -8.182 0.814 1.00 2.04 H new ATOM 0 HG13 VAL A 35 109.240 -9.372 -0.391 1.00 2.04 H new ATOM 0 HG21 VAL A 35 111.075 -8.473 -2.663 1.00 2.19 H new ATOM 0 HG22 VAL A 35 109.338 -8.824 -2.827 1.00 2.19 H new ATOM 0 HG23 VAL A 35 109.983 -7.254 -3.362 1.00 2.19 H new ATOM 489 N PRO A 36 106.911 -7.235 0.776 1.00 1.67 N ATOM 490 CA PRO A 36 106.488 -7.026 2.174 1.00 1.61 C ATOM 491 C PRO A 36 107.604 -7.480 3.125 1.00 1.61 C ATOM 492 O PRO A 36 107.910 -8.652 3.218 1.00 1.74 O ATOM 493 CB PRO A 36 105.210 -7.882 2.347 1.00 1.76 C ATOM 494 CG PRO A 36 104.935 -8.590 0.990 1.00 1.96 C ATOM 495 CD PRO A 36 106.040 -8.154 0.002 1.00 1.85 C ATOM 0 HA PRO A 36 106.289 -5.979 2.403 1.00 1.61 H new ATOM 0 HB2 PRO A 36 105.344 -8.616 3.142 1.00 1.76 H new ATOM 0 HB3 PRO A 36 104.364 -7.256 2.631 1.00 1.76 H new ATOM 0 HG2 PRO A 36 104.939 -9.673 1.115 1.00 1.96 H new ATOM 0 HG3 PRO A 36 103.951 -8.317 0.608 1.00 1.96 H new ATOM 0 HD2 PRO A 36 106.601 -9.013 -0.365 1.00 1.85 H new ATOM 0 HD3 PRO A 36 105.615 -7.655 -0.869 1.00 1.85 H new ATOM 503 N ALA A 37 108.203 -6.556 3.834 1.00 1.53 N ATOM 504 CA ALA A 37 109.297 -6.913 4.793 1.00 1.62 C ATOM 505 C ALA A 37 108.800 -6.640 6.208 1.00 1.53 C ATOM 506 O ALA A 37 107.907 -5.842 6.410 1.00 1.52 O ATOM 507 CB ALA A 37 110.525 -6.045 4.509 1.00 1.69 C ATOM 0 H ALA A 37 107.980 -5.562 3.790 1.00 1.53 H new ATOM 0 HA ALA A 37 109.568 -7.963 4.684 1.00 1.62 H new ATOM 0 HB1 ALA A 37 111.322 -6.303 5.206 1.00 1.69 H new ATOM 0 HB2 ALA A 37 110.865 -6.219 3.488 1.00 1.69 H new ATOM 0 HB3 ALA A 37 110.263 -4.994 4.630 1.00 1.69 H new ATOM 513 N GLU A 38 109.353 -7.288 7.199 1.00 1.50 N ATOM 514 CA GLU A 38 108.869 -7.030 8.584 1.00 1.45 C ATOM 515 C GLU A 38 109.915 -7.415 9.618 1.00 1.50 C ATOM 516 O GLU A 38 110.848 -8.148 9.356 1.00 1.60 O ATOM 517 CB GLU A 38 107.579 -7.831 8.840 1.00 1.54 C ATOM 518 CG GLU A 38 107.906 -9.303 9.132 1.00 1.68 C ATOM 519 CD GLU A 38 106.649 -10.158 8.951 1.00 1.83 C ATOM 520 OE1 GLU A 38 105.570 -9.651 9.213 1.00 2.12 O ATOM 521 OE2 GLU A 38 106.787 -11.303 8.554 1.00 2.23 O ATOM 0 H GLU A 38 110.105 -7.972 7.112 1.00 1.50 H new ATOM 0 HA GLU A 38 108.671 -5.962 8.678 1.00 1.45 H new ATOM 0 HB2 GLU A 38 107.037 -7.399 9.682 1.00 1.54 H new ATOM 0 HB3 GLU A 38 106.924 -7.764 7.971 1.00 1.54 H new ATOM 0 HG2 GLU A 38 108.693 -9.650 8.462 1.00 1.68 H new ATOM 0 HG3 GLU A 38 108.284 -9.406 10.149 1.00 1.68 H new ATOM 528 N PHE A 39 109.726 -6.929 10.810 1.00 1.46 N ATOM 529 CA PHE A 39 110.648 -7.247 11.927 1.00 1.54 C ATOM 530 C PHE A 39 109.795 -7.456 13.170 1.00 1.53 C ATOM 531 O PHE A 39 108.580 -7.484 13.093 1.00 1.50 O ATOM 532 CB PHE A 39 111.642 -6.099 12.150 1.00 1.54 C ATOM 533 CG PHE A 39 110.959 -4.766 11.940 1.00 1.31 C ATOM 534 CD1 PHE A 39 110.607 -4.361 10.650 1.00 1.36 C ATOM 535 CD2 PHE A 39 110.689 -3.930 13.031 1.00 1.34 C ATOM 536 CE1 PHE A 39 109.984 -3.125 10.447 1.00 1.32 C ATOM 537 CE2 PHE A 39 110.066 -2.693 12.826 1.00 1.37 C ATOM 538 CZ PHE A 39 109.713 -2.291 11.535 1.00 1.30 C ATOM 0 H PHE A 39 108.954 -6.311 11.060 1.00 1.46 H new ATOM 0 HA PHE A 39 111.228 -8.142 11.701 1.00 1.54 H new ATOM 0 HB2 PHE A 39 112.049 -6.152 13.160 1.00 1.54 H new ATOM 0 HB3 PHE A 39 112.482 -6.197 11.462 1.00 1.54 H new ATOM 0 HD1 PHE A 39 110.816 -5.004 9.808 1.00 1.36 H new ATOM 0 HD2 PHE A 39 110.961 -4.239 14.029 1.00 1.34 H new ATOM 0 HE1 PHE A 39 109.712 -2.815 9.449 1.00 1.32 H new ATOM 0 HE2 PHE A 39 109.858 -2.048 13.667 1.00 1.37 H new ATOM 0 HZ PHE A 39 109.231 -1.337 11.378 1.00 1.30 H new ATOM 548 N SER A 40 110.409 -7.614 14.307 1.00 1.60 N ATOM 549 CA SER A 40 109.629 -7.841 15.565 1.00 1.61 C ATOM 550 C SER A 40 109.955 -6.757 16.595 1.00 1.59 C ATOM 551 O SER A 40 111.056 -6.246 16.652 1.00 1.64 O ATOM 552 CB SER A 40 110.002 -9.206 16.144 1.00 1.73 C ATOM 553 OG SER A 40 109.794 -10.208 15.156 1.00 2.37 O ATOM 0 H SER A 40 111.422 -7.596 14.425 1.00 1.60 H new ATOM 0 HA SER A 40 108.564 -7.805 15.335 1.00 1.61 H new ATOM 0 HB2 SER A 40 111.044 -9.206 16.464 1.00 1.73 H new ATOM 0 HB3 SER A 40 109.397 -9.417 17.026 1.00 1.73 H new ATOM 0 HG SER A 40 110.034 -11.084 15.523 1.00 2.37 H new ATOM 559 N ILE A 41 109.000 -6.424 17.426 1.00 1.54 N ATOM 560 CA ILE A 41 109.224 -5.394 18.482 1.00 1.54 C ATOM 561 C ILE A 41 108.434 -5.812 19.724 1.00 1.60 C ATOM 562 O ILE A 41 107.233 -5.648 19.795 1.00 1.65 O ATOM 563 CB ILE A 41 108.746 -4.015 17.988 1.00 1.45 C ATOM 564 CG1 ILE A 41 109.795 -3.429 17.035 1.00 1.47 C ATOM 565 CG2 ILE A 41 108.563 -3.065 19.183 1.00 1.50 C ATOM 566 CD1 ILE A 41 109.238 -2.178 16.349 1.00 1.34 C ATOM 0 H ILE A 41 108.063 -6.828 17.416 1.00 1.54 H new ATOM 0 HA ILE A 41 110.286 -5.320 18.718 1.00 1.54 H new ATOM 0 HB ILE A 41 107.794 -4.129 17.470 1.00 1.45 H new ATOM 0 HG12 ILE A 41 110.701 -3.178 17.587 1.00 1.47 H new ATOM 0 HG13 ILE A 41 110.073 -4.171 16.287 1.00 1.47 H new ATOM 0 HG21 ILE A 41 108.225 -2.092 18.826 1.00 1.50 H new ATOM 0 HG22 ILE A 41 107.821 -3.479 19.866 1.00 1.50 H new ATOM 0 HG23 ILE A 41 109.513 -2.950 19.705 1.00 1.50 H new ATOM 0 HD11 ILE A 41 109.989 -1.768 15.674 1.00 1.34 H new ATOM 0 HD12 ILE A 41 108.345 -2.441 15.782 1.00 1.34 H new ATOM 0 HD13 ILE A 41 108.982 -1.433 17.103 1.00 1.34 H new ATOM 578 N TRP A 42 109.100 -6.358 20.700 1.00 1.65 N ATOM 579 CA TRP A 42 108.397 -6.798 21.938 1.00 1.71 C ATOM 580 C TRP A 42 108.367 -5.630 22.936 1.00 1.77 C ATOM 581 O TRP A 42 109.327 -4.900 23.085 1.00 1.78 O ATOM 582 CB TRP A 42 109.151 -8.020 22.506 1.00 1.88 C ATOM 583 CG TRP A 42 109.088 -8.061 24.005 1.00 2.08 C ATOM 584 CD1 TRP A 42 109.795 -7.258 24.834 1.00 2.66 C ATOM 585 CD2 TRP A 42 108.290 -8.931 24.860 1.00 2.36 C ATOM 586 NE1 TRP A 42 109.482 -7.580 26.142 1.00 2.89 N ATOM 587 CE2 TRP A 42 108.558 -8.605 26.211 1.00 2.64 C ATOM 588 CE3 TRP A 42 107.368 -9.960 24.598 1.00 3.00 C ATOM 589 CZ2 TRP A 42 107.936 -9.276 27.263 1.00 3.08 C ATOM 590 CZ3 TRP A 42 106.739 -10.639 25.655 1.00 3.68 C ATOM 591 CH2 TRP A 42 107.022 -10.297 26.985 1.00 3.56 C ATOM 0 H TRP A 42 110.107 -6.520 20.695 1.00 1.65 H new ATOM 0 HA TRP A 42 107.366 -7.087 21.734 1.00 1.71 H new ATOM 0 HB2 TRP A 42 108.721 -8.935 22.098 1.00 1.88 H new ATOM 0 HB3 TRP A 42 110.192 -7.987 22.186 1.00 1.88 H new ATOM 0 HD1 TRP A 42 110.490 -6.491 24.525 1.00 2.66 H new ATOM 0 HE1 TRP A 42 109.884 -7.117 26.957 1.00 2.89 H new ATOM 0 HE3 TRP A 42 107.142 -10.230 23.577 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 108.159 -9.009 28.286 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 106.034 -11.429 25.442 1.00 3.68 H new ATOM 0 HH2 TRP A 42 106.535 -10.821 27.794 1.00 3.56 H new ATOM 602 N THR A 43 107.264 -5.452 23.614 1.00 1.91 N ATOM 603 CA THR A 43 107.154 -4.335 24.599 1.00 2.07 C ATOM 604 C THR A 43 106.143 -4.717 25.683 1.00 1.92 C ATOM 605 O THR A 43 104.987 -4.968 25.404 1.00 2.17 O ATOM 606 CB THR A 43 106.675 -3.064 23.883 1.00 2.42 C ATOM 607 OG1 THR A 43 105.940 -2.259 24.794 1.00 2.72 O ATOM 608 CG2 THR A 43 105.779 -3.442 22.702 1.00 2.89 C ATOM 0 H THR A 43 106.431 -6.034 23.528 1.00 1.91 H new ATOM 0 HA THR A 43 108.128 -4.151 25.052 1.00 2.07 H new ATOM 0 HB THR A 43 107.539 -2.509 23.517 1.00 2.42 H new ATOM 0 HG1 THR A 43 105.635 -1.446 24.339 1.00 2.72 H new ATOM 0 HG21 THR A 43 105.442 -2.537 22.197 1.00 2.89 H new ATOM 0 HG22 THR A 43 106.341 -4.060 22.002 1.00 2.89 H new ATOM 0 HG23 THR A 43 104.915 -3.999 23.064 1.00 2.89 H new ATOM 616 N ARG A 44 106.567 -4.766 26.917 1.00 1.96 N ATOM 617 CA ARG A 44 105.623 -5.134 28.008 1.00 1.92 C ATOM 618 C ARG A 44 106.281 -4.889 29.370 1.00 1.92 C ATOM 619 O ARG A 44 106.482 -5.803 30.144 1.00 2.18 O ATOM 620 CB ARG A 44 105.252 -6.614 27.879 1.00 2.09 C ATOM 621 CG ARG A 44 104.067 -6.931 28.796 1.00 2.62 C ATOM 622 CD ARG A 44 103.570 -8.354 28.519 1.00 3.00 C ATOM 623 NE ARG A 44 102.659 -8.804 29.626 1.00 3.63 N ATOM 624 CZ ARG A 44 103.065 -8.883 30.866 1.00 4.14 C ATOM 625 NH1 ARG A 44 104.326 -8.719 31.163 1.00 4.51 N ATOM 626 NH2 ARG A 44 102.212 -9.174 31.810 1.00 4.63 N ATOM 0 H ARG A 44 107.522 -4.568 27.215 1.00 1.96 H new ATOM 0 HA ARG A 44 104.725 -4.522 27.929 1.00 1.92 H new ATOM 0 HB2 ARG A 44 104.996 -6.846 26.845 1.00 2.09 H new ATOM 0 HB3 ARG A 44 106.106 -7.237 28.144 1.00 2.09 H new ATOM 0 HG2 ARG A 44 104.366 -6.836 29.840 1.00 2.62 H new ATOM 0 HG3 ARG A 44 103.263 -6.215 28.629 1.00 2.62 H new ATOM 0 HD2 ARG A 44 103.041 -8.384 27.566 1.00 3.00 H new ATOM 0 HD3 ARG A 44 104.417 -9.034 28.435 1.00 3.00 H new ATOM 0 HE ARG A 44 101.696 -9.055 29.403 1.00 3.63 H new ATOM 0 HH11 ARG A 44 105.003 -8.527 30.425 1.00 4.51 H new ATOM 0 HH12 ARG A 44 104.634 -8.782 32.133 1.00 4.51 H new ATOM 0 HH21 ARG A 44 101.232 -9.339 31.579 1.00 4.63 H new ATOM 0 HH22 ARG A 44 102.525 -9.237 32.779 1.00 4.63 H new ATOM 640 N GLU A 45 106.611 -3.660 29.674 1.00 1.87 N ATOM 641 CA GLU A 45 107.248 -3.365 30.992 1.00 1.94 C ATOM 642 C GLU A 45 107.019 -1.893 31.354 1.00 1.84 C ATOM 643 O GLU A 45 106.476 -1.581 32.394 1.00 1.87 O ATOM 644 CB GLU A 45 108.755 -3.652 30.916 1.00 2.09 C ATOM 645 CG GLU A 45 109.316 -3.851 32.328 1.00 2.37 C ATOM 646 CD GLU A 45 110.799 -4.217 32.241 1.00 2.40 C ATOM 647 OE1 GLU A 45 111.605 -3.313 32.099 1.00 2.73 O ATOM 648 OE2 GLU A 45 111.103 -5.396 32.319 1.00 2.89 O ATOM 0 H GLU A 45 106.468 -2.851 29.069 1.00 1.87 H new ATOM 0 HA GLU A 45 106.802 -3.999 31.758 1.00 1.94 H new ATOM 0 HB2 GLU A 45 108.935 -4.543 30.314 1.00 2.09 H new ATOM 0 HB3 GLU A 45 109.268 -2.826 30.424 1.00 2.09 H new ATOM 0 HG2 GLU A 45 109.189 -2.940 32.913 1.00 2.37 H new ATOM 0 HG3 GLU A 45 108.766 -4.639 32.842 1.00 2.37 H new ATOM 655 N ALA A 46 107.426 -0.985 30.506 1.00 1.74 N ATOM 656 CA ALA A 46 107.220 0.457 30.819 1.00 1.71 C ATOM 657 C ALA A 46 105.729 0.709 31.028 1.00 1.64 C ATOM 658 O ALA A 46 105.304 1.179 32.065 1.00 1.71 O ATOM 659 CB ALA A 46 107.729 1.326 29.664 1.00 1.66 C ATOM 0 H ALA A 46 107.888 -1.179 29.618 1.00 1.74 H new ATOM 0 HA ALA A 46 107.773 0.714 31.722 1.00 1.71 H new ATOM 0 HB1 ALA A 46 107.573 2.378 29.904 1.00 1.66 H new ATOM 0 HB2 ALA A 46 108.793 1.142 29.512 1.00 1.66 H new ATOM 0 HB3 ALA A 46 107.184 1.077 28.754 1.00 1.66 H new ATOM 665 N GLY A 47 104.929 0.394 30.043 1.00 1.60 N ATOM 666 CA GLY A 47 103.457 0.604 30.164 1.00 1.58 C ATOM 667 C GLY A 47 102.903 1.080 28.820 1.00 1.42 C ATOM 668 O GLY A 47 103.628 1.221 27.856 1.00 1.37 O ATOM 0 H GLY A 47 105.235 -0.002 29.154 1.00 1.60 H new ATOM 0 HA2 GLY A 47 102.969 -0.323 30.464 1.00 1.58 H new ATOM 0 HA3 GLY A 47 103.245 1.341 30.939 1.00 1.58 H new ATOM 672 N ALA A 48 101.624 1.331 28.745 1.00 1.40 N ATOM 673 CA ALA A 48 101.030 1.800 27.460 1.00 1.27 C ATOM 674 C ALA A 48 101.761 3.060 26.994 1.00 1.21 C ATOM 675 O ALA A 48 102.395 3.744 27.772 1.00 1.37 O ATOM 676 CB ALA A 48 99.549 2.120 27.669 1.00 1.32 C ATOM 0 H ALA A 48 100.965 1.232 29.517 1.00 1.40 H new ATOM 0 HA ALA A 48 101.130 1.019 26.706 1.00 1.27 H new ATOM 0 HB1 ALA A 48 99.115 2.463 26.730 1.00 1.32 H new ATOM 0 HB2 ALA A 48 99.027 1.224 28.004 1.00 1.32 H new ATOM 0 HB3 ALA A 48 99.448 2.902 28.422 1.00 1.32 H new ATOM 682 N GLY A 49 101.679 3.371 25.729 1.00 1.04 N ATOM 683 CA GLY A 49 102.373 4.586 25.217 1.00 1.02 C ATOM 684 C GLY A 49 102.058 4.769 23.733 1.00 0.87 C ATOM 685 O GLY A 49 101.396 3.951 23.125 1.00 0.71 O ATOM 0 H GLY A 49 101.163 2.837 25.030 1.00 1.04 H new ATOM 0 HA2 GLY A 49 102.053 5.464 25.778 1.00 1.02 H new ATOM 0 HA3 GLY A 49 103.449 4.491 25.362 1.00 1.02 H new ATOM 689 N GLY A 50 102.530 5.840 23.144 1.00 0.98 N ATOM 690 CA GLY A 50 102.269 6.095 21.692 1.00 0.86 C ATOM 691 C GLY A 50 103.550 5.852 20.895 1.00 0.86 C ATOM 692 O GLY A 50 104.574 6.455 21.149 1.00 1.06 O ATOM 0 H GLY A 50 103.089 6.554 23.610 1.00 0.98 H new ATOM 0 HA2 GLY A 50 101.475 5.440 21.334 1.00 0.86 H new ATOM 0 HA3 GLY A 50 101.927 7.120 21.547 1.00 0.86 H new ATOM 696 N LEU A 51 103.500 4.977 19.925 1.00 0.74 N ATOM 697 CA LEU A 51 104.711 4.691 19.096 1.00 0.75 C ATOM 698 C LEU A 51 104.594 5.464 17.789 1.00 0.68 C ATOM 699 O LEU A 51 103.900 5.048 16.892 1.00 0.60 O ATOM 700 CB LEU A 51 104.775 3.186 18.800 1.00 0.74 C ATOM 701 CG LEU A 51 106.102 2.829 18.098 1.00 0.81 C ATOM 702 CD1 LEU A 51 107.228 2.672 19.127 1.00 1.10 C ATOM 703 CD2 LEU A 51 105.938 1.509 17.337 1.00 0.77 C ATOM 0 H LEU A 51 102.668 4.445 19.669 1.00 0.74 H new ATOM 0 HA LEU A 51 105.614 4.992 19.627 1.00 0.75 H new ATOM 0 HB2 LEU A 51 104.685 2.623 19.729 1.00 0.74 H new ATOM 0 HB3 LEU A 51 103.934 2.897 18.169 1.00 0.74 H new ATOM 0 HG LEU A 51 106.357 3.633 17.407 1.00 0.81 H new ATOM 0 HD11 LEU A 51 108.157 2.420 18.615 1.00 1.10 H new ATOM 0 HD12 LEU A 51 107.356 3.607 19.672 1.00 1.10 H new ATOM 0 HD13 LEU A 51 106.973 1.877 19.827 1.00 1.10 H new ATOM 0 HD21 LEU A 51 106.875 1.256 16.841 1.00 0.77 H new ATOM 0 HD22 LEU A 51 105.672 0.716 18.036 1.00 0.77 H new ATOM 0 HD23 LEU A 51 105.150 1.614 16.592 1.00 0.77 H new ATOM 715 N SER A 52 105.271 6.582 17.681 1.00 0.75 N ATOM 716 CA SER A 52 105.209 7.393 16.431 1.00 0.71 C ATOM 717 C SER A 52 106.242 6.851 15.445 1.00 0.70 C ATOM 718 O SER A 52 107.307 6.427 15.850 1.00 0.78 O ATOM 719 CB SER A 52 105.531 8.853 16.758 1.00 0.82 C ATOM 720 OG SER A 52 104.847 9.229 17.946 1.00 1.56 O ATOM 0 H SER A 52 105.868 6.968 18.413 1.00 0.75 H new ATOM 0 HA SER A 52 104.212 7.334 15.995 1.00 0.71 H new ATOM 0 HB2 SER A 52 106.606 8.980 16.887 1.00 0.82 H new ATOM 0 HB3 SER A 52 105.231 9.498 15.932 1.00 0.82 H new ATOM 0 HG SER A 52 105.052 10.163 18.160 1.00 1.56 H new ATOM 726 N ILE A 53 105.951 6.852 14.158 1.00 0.61 N ATOM 727 CA ILE A 53 106.941 6.326 13.168 1.00 0.61 C ATOM 728 C ILE A 53 107.042 7.287 11.983 1.00 0.57 C ATOM 729 O ILE A 53 106.160 7.357 11.150 1.00 0.65 O ATOM 730 CB ILE A 53 106.484 4.955 12.665 1.00 0.56 C ATOM 731 CG1 ILE A 53 106.327 3.999 13.852 1.00 0.64 C ATOM 732 CG2 ILE A 53 107.526 4.398 11.693 1.00 0.63 C ATOM 733 CD1 ILE A 53 105.696 2.688 13.377 1.00 0.64 C ATOM 0 H ILE A 53 105.076 7.193 13.759 1.00 0.61 H new ATOM 0 HA ILE A 53 107.915 6.234 13.649 1.00 0.61 H new ATOM 0 HB ILE A 53 105.526 5.055 12.154 1.00 0.56 H new ATOM 0 HG12 ILE A 53 107.299 3.803 14.305 1.00 0.64 H new ATOM 0 HG13 ILE A 53 105.704 4.457 14.620 1.00 0.64 H new ATOM 0 HG21 ILE A 53 107.203 3.421 11.333 1.00 0.63 H new ATOM 0 HG22 ILE A 53 107.635 5.078 10.848 1.00 0.63 H new ATOM 0 HG23 ILE A 53 108.483 4.298 12.204 1.00 0.63 H new ATOM 0 HD11 ILE A 53 105.585 2.010 14.223 1.00 0.64 H new ATOM 0 HD12 ILE A 53 104.716 2.891 12.945 1.00 0.64 H new ATOM 0 HD13 ILE A 53 106.336 2.228 12.624 1.00 0.64 H new ATOM 745 N ALA A 54 108.120 8.021 11.891 1.00 0.60 N ATOM 746 CA ALA A 54 108.296 8.969 10.754 1.00 0.57 C ATOM 747 C ALA A 54 109.121 8.276 9.673 1.00 0.54 C ATOM 748 O ALA A 54 110.313 8.084 9.815 1.00 0.63 O ATOM 749 CB ALA A 54 109.036 10.218 11.239 1.00 0.69 C ATOM 0 H ALA A 54 108.890 8.003 12.560 1.00 0.60 H new ATOM 0 HA ALA A 54 107.325 9.263 10.356 1.00 0.57 H new ATOM 0 HB1 ALA A 54 109.164 10.911 10.407 1.00 0.69 H new ATOM 0 HB2 ALA A 54 108.458 10.700 12.027 1.00 0.69 H new ATOM 0 HB3 ALA A 54 110.013 9.934 11.628 1.00 0.69 H new ATOM 755 N VAL A 55 108.492 7.885 8.598 1.00 0.45 N ATOM 756 CA VAL A 55 109.227 7.185 7.499 1.00 0.47 C ATOM 757 C VAL A 55 109.599 8.185 6.400 1.00 0.41 C ATOM 758 O VAL A 55 108.864 9.103 6.097 1.00 0.39 O ATOM 759 CB VAL A 55 108.335 6.072 6.898 1.00 0.47 C ATOM 760 CG1 VAL A 55 108.624 4.729 7.583 1.00 0.91 C ATOM 761 CG2 VAL A 55 106.857 6.428 7.099 1.00 0.79 C ATOM 0 H VAL A 55 107.495 8.020 8.430 1.00 0.45 H new ATOM 0 HA VAL A 55 110.135 6.743 7.908 1.00 0.47 H new ATOM 0 HB VAL A 55 108.555 5.988 5.834 1.00 0.47 H new ATOM 0 HG11 VAL A 55 107.989 3.956 7.150 1.00 0.91 H new ATOM 0 HG12 VAL A 55 109.671 4.464 7.436 1.00 0.91 H new ATOM 0 HG13 VAL A 55 108.417 4.813 8.650 1.00 0.91 H new ATOM 0 HG21 VAL A 55 106.232 5.642 6.675 1.00 0.79 H new ATOM 0 HG22 VAL A 55 106.647 6.523 8.164 1.00 0.79 H new ATOM 0 HG23 VAL A 55 106.639 7.373 6.601 1.00 0.79 H new ATOM 771 N GLU A 56 110.735 7.984 5.788 1.00 0.44 N ATOM 772 CA GLU A 56 111.180 8.881 4.683 1.00 0.40 C ATOM 773 C GLU A 56 111.855 8.005 3.620 1.00 0.43 C ATOM 774 O GLU A 56 112.492 7.020 3.935 1.00 0.52 O ATOM 775 CB GLU A 56 112.150 9.938 5.241 1.00 0.47 C ATOM 776 CG GLU A 56 113.009 10.523 4.112 1.00 0.49 C ATOM 777 CD GLU A 56 113.631 11.847 4.565 1.00 1.08 C ATOM 778 OE1 GLU A 56 113.537 12.152 5.742 1.00 1.71 O ATOM 779 OE2 GLU A 56 114.191 12.533 3.725 1.00 1.80 O ATOM 0 H GLU A 56 111.381 7.227 6.010 1.00 0.44 H new ATOM 0 HA GLU A 56 110.339 9.411 4.236 1.00 0.40 H new ATOM 0 HB2 GLU A 56 111.589 10.734 5.730 1.00 0.47 H new ATOM 0 HB3 GLU A 56 112.791 9.488 5.999 1.00 0.47 H new ATOM 0 HG2 GLU A 56 113.793 9.818 3.837 1.00 0.49 H new ATOM 0 HG3 GLU A 56 112.398 10.683 3.224 1.00 0.49 H new ATOM 786 N GLY A 57 111.709 8.337 2.366 1.00 0.41 N ATOM 787 CA GLY A 57 112.332 7.499 1.306 1.00 0.49 C ATOM 788 C GLY A 57 111.666 7.797 -0.046 1.00 0.45 C ATOM 789 O GLY A 57 110.899 8.732 -0.155 1.00 0.44 O ATOM 0 H GLY A 57 111.188 9.148 2.032 1.00 0.41 H new ATOM 0 HA2 GLY A 57 113.401 7.703 1.249 1.00 0.49 H new ATOM 0 HA3 GLY A 57 112.222 6.443 1.552 1.00 0.49 H new ATOM 793 N PRO A 58 111.987 7.001 -1.044 1.00 0.50 N ATOM 794 CA PRO A 58 111.427 7.179 -2.401 1.00 0.52 C ATOM 795 C PRO A 58 109.909 6.960 -2.420 1.00 0.54 C ATOM 796 O PRO A 58 109.208 7.550 -3.218 1.00 0.56 O ATOM 797 CB PRO A 58 112.148 6.127 -3.268 1.00 0.63 C ATOM 798 CG PRO A 58 113.160 5.376 -2.354 1.00 0.66 C ATOM 799 CD PRO A 58 112.939 5.878 -0.911 1.00 0.60 C ATOM 0 HA PRO A 58 111.581 8.193 -2.769 1.00 0.52 H new ATOM 0 HB2 PRO A 58 111.430 5.429 -3.699 1.00 0.63 H new ATOM 0 HB3 PRO A 58 112.665 6.606 -4.099 1.00 0.63 H new ATOM 0 HG2 PRO A 58 113.005 4.299 -2.414 1.00 0.66 H new ATOM 0 HG3 PRO A 58 114.184 5.569 -2.675 1.00 0.66 H new ATOM 0 HD2 PRO A 58 112.535 5.090 -0.275 1.00 0.60 H new ATOM 0 HD3 PRO A 58 113.875 6.204 -0.458 1.00 0.60 H new ATOM 807 N SER A 59 109.394 6.124 -1.562 1.00 0.56 N ATOM 808 CA SER A 59 107.915 5.880 -1.550 1.00 0.60 C ATOM 809 C SER A 59 107.420 5.720 -0.113 1.00 0.55 C ATOM 810 O SER A 59 108.190 5.527 0.806 1.00 0.55 O ATOM 811 CB SER A 59 107.602 4.609 -2.336 1.00 0.71 C ATOM 812 OG SER A 59 106.193 4.458 -2.443 1.00 1.55 O ATOM 0 H SER A 59 109.927 5.598 -0.869 1.00 0.56 H new ATOM 0 HA SER A 59 107.412 6.731 -2.009 1.00 0.60 H new ATOM 0 HB2 SER A 59 108.050 4.662 -3.328 1.00 0.71 H new ATOM 0 HB3 SER A 59 108.035 3.743 -1.836 1.00 0.71 H new ATOM 0 HG SER A 59 105.903 3.700 -1.894 1.00 1.55 H new ATOM 818 N LYS A 60 106.131 5.804 0.082 1.00 0.59 N ATOM 819 CA LYS A 60 105.565 5.664 1.453 1.00 0.57 C ATOM 820 C LYS A 60 105.377 4.180 1.781 1.00 0.63 C ATOM 821 O LYS A 60 104.494 3.527 1.262 1.00 0.73 O ATOM 822 CB LYS A 60 104.211 6.379 1.511 1.00 0.63 C ATOM 823 CG LYS A 60 104.301 7.701 0.745 1.00 1.23 C ATOM 824 CD LYS A 60 103.020 8.507 0.967 1.00 1.29 C ATOM 825 CE LYS A 60 103.041 9.754 0.080 1.00 1.87 C ATOM 826 NZ LYS A 60 101.689 10.382 0.075 1.00 2.53 N ATOM 0 H LYS A 60 105.443 5.964 -0.654 1.00 0.59 H new ATOM 0 HA LYS A 60 106.246 6.108 2.179 1.00 0.57 H new ATOM 0 HB2 LYS A 60 103.435 5.747 1.078 1.00 0.63 H new ATOM 0 HB3 LYS A 60 103.930 6.565 2.548 1.00 0.63 H new ATOM 0 HG2 LYS A 60 105.166 8.272 1.084 1.00 1.23 H new ATOM 0 HG3 LYS A 60 104.443 7.509 -0.318 1.00 1.23 H new ATOM 0 HD2 LYS A 60 102.148 7.896 0.733 1.00 1.29 H new ATOM 0 HD3 LYS A 60 102.936 8.795 2.015 1.00 1.29 H new ATOM 0 HE2 LYS A 60 103.782 10.463 0.449 1.00 1.87 H new ATOM 0 HE3 LYS A 60 103.333 9.486 -0.935 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 101.702 11.230 -0.528 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 100.993 9.704 -0.296 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 101.428 10.651 1.045 1.00 2.53 H new ATOM 840 N ALA A 61 106.198 3.644 2.640 1.00 0.66 N ATOM 841 CA ALA A 61 106.062 2.204 2.999 1.00 0.76 C ATOM 842 C ALA A 61 104.753 1.992 3.763 1.00 0.77 C ATOM 843 O ALA A 61 104.338 2.824 4.546 1.00 0.78 O ATOM 844 CB ALA A 61 107.238 1.781 3.880 1.00 0.82 C ATOM 0 H ALA A 61 106.956 4.139 3.109 1.00 0.66 H new ATOM 0 HA ALA A 61 106.057 1.603 2.089 1.00 0.76 H new ATOM 0 HB1 ALA A 61 107.136 0.728 4.141 1.00 0.82 H new ATOM 0 HB2 ALA A 61 108.172 1.932 3.338 1.00 0.82 H new ATOM 0 HB3 ALA A 61 107.246 2.381 4.790 1.00 0.82 H new ATOM 850 N GLU A 62 104.097 0.882 3.542 1.00 0.88 N ATOM 851 CA GLU A 62 102.810 0.612 4.254 1.00 0.93 C ATOM 852 C GLU A 62 103.088 -0.192 5.527 1.00 0.96 C ATOM 853 O GLU A 62 103.111 -1.406 5.510 1.00 1.43 O ATOM 854 CB GLU A 62 101.872 -0.188 3.337 1.00 1.11 C ATOM 855 CG GLU A 62 100.426 -0.043 3.823 1.00 1.50 C ATOM 856 CD GLU A 62 99.532 -1.024 3.063 1.00 1.72 C ATOM 857 OE1 GLU A 62 100.003 -2.105 2.751 1.00 2.30 O ATOM 858 OE2 GLU A 62 98.391 -0.677 2.806 1.00 2.14 O ATOM 0 H GLU A 62 104.397 0.149 2.899 1.00 0.88 H new ATOM 0 HA GLU A 62 102.338 1.558 4.518 1.00 0.93 H new ATOM 0 HB2 GLU A 62 101.958 0.170 2.311 1.00 1.11 H new ATOM 0 HB3 GLU A 62 102.161 -1.239 3.333 1.00 1.11 H new ATOM 0 HG2 GLU A 62 100.370 -0.238 4.894 1.00 1.50 H new ATOM 0 HG3 GLU A 62 100.079 0.978 3.666 1.00 1.50 H new ATOM 865 N ILE A 63 103.292 0.489 6.625 1.00 0.97 N ATOM 866 CA ILE A 63 103.563 -0.200 7.923 1.00 0.94 C ATOM 867 C ILE A 63 102.366 -1.088 8.280 1.00 1.01 C ATOM 868 O ILE A 63 101.261 -0.856 7.832 1.00 1.06 O ATOM 869 CB ILE A 63 103.773 0.855 9.023 1.00 0.89 C ATOM 870 CG1 ILE A 63 105.137 1.537 8.836 1.00 1.06 C ATOM 871 CG2 ILE A 63 103.736 0.184 10.400 1.00 1.28 C ATOM 872 CD1 ILE A 63 105.132 2.412 7.577 1.00 1.40 C ATOM 0 H ILE A 63 103.282 1.508 6.678 1.00 0.97 H new ATOM 0 HA ILE A 63 104.459 -0.815 7.837 1.00 0.94 H new ATOM 0 HB ILE A 63 102.978 1.598 8.955 1.00 0.89 H new ATOM 0 HG12 ILE A 63 105.368 2.147 9.709 1.00 1.06 H new ATOM 0 HG13 ILE A 63 105.920 0.783 8.759 1.00 1.06 H new ATOM 0 HG21 ILE A 63 103.885 0.936 11.175 1.00 1.28 H new ATOM 0 HG22 ILE A 63 102.769 -0.299 10.544 1.00 1.28 H new ATOM 0 HG23 ILE A 63 104.527 -0.563 10.462 1.00 1.28 H new ATOM 0 HD11 ILE A 63 106.106 2.887 7.460 1.00 1.40 H new ATOM 0 HD12 ILE A 63 104.923 1.793 6.704 1.00 1.40 H new ATOM 0 HD13 ILE A 63 104.363 3.179 7.670 1.00 1.40 H new ATOM 884 N ALA A 64 102.568 -2.102 9.089 1.00 1.04 N ATOM 885 CA ALA A 64 101.429 -2.989 9.471 1.00 1.13 C ATOM 886 C ALA A 64 101.641 -3.463 10.913 1.00 1.14 C ATOM 887 O ALA A 64 102.655 -3.188 11.516 1.00 1.36 O ATOM 888 CB ALA A 64 101.368 -4.193 8.505 1.00 1.26 C ATOM 0 H ALA A 64 103.469 -2.351 9.498 1.00 1.04 H new ATOM 0 HA ALA A 64 100.485 -2.447 9.406 1.00 1.13 H new ATOM 0 HB1 ALA A 64 100.537 -4.841 8.783 1.00 1.26 H new ATOM 0 HB2 ALA A 64 101.223 -3.835 7.486 1.00 1.26 H new ATOM 0 HB3 ALA A 64 102.301 -4.754 8.563 1.00 1.26 H new ATOM 894 N PHE A 65 100.695 -4.171 11.471 1.00 1.16 N ATOM 895 CA PHE A 65 100.850 -4.660 12.876 1.00 1.16 C ATOM 896 C PHE A 65 100.135 -6.003 13.035 1.00 1.28 C ATOM 897 O PHE A 65 98.929 -6.092 12.912 1.00 1.35 O ATOM 898 CB PHE A 65 100.238 -3.641 13.839 1.00 1.11 C ATOM 899 CG PHE A 65 98.753 -3.535 13.581 1.00 1.20 C ATOM 900 CD1 PHE A 65 98.285 -2.809 12.480 1.00 1.23 C ATOM 901 CD2 PHE A 65 97.845 -4.164 14.443 1.00 1.30 C ATOM 902 CE1 PHE A 65 96.909 -2.710 12.240 1.00 1.37 C ATOM 903 CE2 PHE A 65 96.469 -4.065 14.202 1.00 1.43 C ATOM 904 CZ PHE A 65 96.001 -3.338 13.101 1.00 1.47 C ATOM 0 H PHE A 65 99.821 -4.433 11.016 1.00 1.16 H new ATOM 0 HA PHE A 65 101.909 -4.786 13.101 1.00 1.16 H new ATOM 0 HB2 PHE A 65 100.418 -3.945 14.870 1.00 1.11 H new ATOM 0 HB3 PHE A 65 100.712 -2.668 13.706 1.00 1.11 H new ATOM 0 HD1 PHE A 65 98.985 -2.325 11.815 1.00 1.23 H new ATOM 0 HD2 PHE A 65 98.206 -4.725 15.293 1.00 1.30 H new ATOM 0 HE1 PHE A 65 96.548 -2.149 11.391 1.00 1.37 H new ATOM 0 HE2 PHE A 65 95.769 -4.550 14.866 1.00 1.43 H new ATOM 0 HZ PHE A 65 94.940 -3.262 12.916 1.00 1.47 H new ATOM 914 N GLU A 66 100.868 -7.052 13.314 1.00 1.35 N ATOM 915 CA GLU A 66 100.235 -8.397 13.488 1.00 1.50 C ATOM 916 C GLU A 66 100.939 -9.150 14.619 1.00 1.54 C ATOM 917 O GLU A 66 102.121 -9.427 14.552 1.00 1.61 O ATOM 918 CB GLU A 66 100.367 -9.193 12.188 1.00 1.62 C ATOM 919 CG GLU A 66 99.698 -10.559 12.355 1.00 1.80 C ATOM 920 CD GLU A 66 99.628 -11.262 10.999 1.00 1.94 C ATOM 921 OE1 GLU A 66 100.655 -11.355 10.348 1.00 2.51 O ATOM 922 OE2 GLU A 66 98.547 -11.696 10.634 1.00 2.01 O ATOM 0 H GLU A 66 101.881 -7.035 13.429 1.00 1.35 H new ATOM 0 HA GLU A 66 99.181 -8.273 13.735 1.00 1.50 H new ATOM 0 HB2 GLU A 66 99.903 -8.647 11.366 1.00 1.62 H new ATOM 0 HB3 GLU A 66 101.419 -9.320 11.932 1.00 1.62 H new ATOM 0 HG2 GLU A 66 100.261 -11.167 13.063 1.00 1.80 H new ATOM 0 HG3 GLU A 66 98.696 -10.437 12.766 1.00 1.80 H new ATOM 1006 N SER A 72 105.064 -10.644 21.269 1.00 1.78 N ATOM 1007 CA SER A 72 106.043 -9.960 20.370 1.00 1.72 C ATOM 1008 C SER A 72 105.282 -9.254 19.247 1.00 1.60 C ATOM 1009 O SER A 72 104.628 -9.882 18.438 1.00 1.64 O ATOM 1010 CB SER A 72 106.989 -11.000 19.764 1.00 1.82 C ATOM 1011 OG SER A 72 106.407 -11.528 18.579 1.00 2.20 O ATOM 0 HA SER A 72 106.620 -9.232 20.940 1.00 1.72 H new ATOM 0 HB2 SER A 72 107.953 -10.544 19.538 1.00 1.82 H new ATOM 0 HB3 SER A 72 107.175 -11.801 20.480 1.00 1.82 H new ATOM 0 HG SER A 72 105.430 -11.478 18.644 1.00 2.20 H new ATOM 1017 N CYS A 73 105.358 -7.953 19.191 1.00 1.50 N ATOM 1018 CA CYS A 73 104.632 -7.216 18.119 1.00 1.40 C ATOM 1019 C CYS A 73 105.375 -7.377 16.791 1.00 1.37 C ATOM 1020 O CYS A 73 106.587 -7.462 16.756 1.00 1.39 O ATOM 1021 CB CYS A 73 104.546 -5.731 18.484 1.00 1.31 C ATOM 1022 SG CYS A 73 103.239 -4.946 17.509 1.00 2.05 S ATOM 0 H CYS A 73 105.889 -7.370 19.838 1.00 1.50 H new ATOM 0 HA CYS A 73 103.625 -7.622 18.020 1.00 1.40 H new ATOM 0 HB2 CYS A 73 104.338 -5.618 19.548 1.00 1.31 H new ATOM 0 HB3 CYS A 73 105.501 -5.242 18.292 1.00 1.31 H new ATOM 0 HG CYS A 73 103.163 -3.686 17.819 1.00 2.05 H new ATOM 1028 N GLY A 74 104.650 -7.419 15.699 1.00 1.39 N ATOM 1029 CA GLY A 74 105.291 -7.573 14.353 1.00 1.38 C ATOM 1030 C GLY A 74 104.935 -6.369 13.483 1.00 1.28 C ATOM 1031 O GLY A 74 103.801 -6.187 13.086 1.00 1.26 O ATOM 0 H GLY A 74 103.632 -7.353 15.682 1.00 1.39 H new ATOM 0 HA2 GLY A 74 106.373 -7.652 14.460 1.00 1.38 H new ATOM 0 HA3 GLY A 74 104.950 -8.493 13.878 1.00 1.38 H new ATOM 1035 N VAL A 75 105.902 -5.549 13.183 1.00 1.25 N ATOM 1036 CA VAL A 75 105.645 -4.344 12.331 1.00 1.16 C ATOM 1037 C VAL A 75 106.070 -4.646 10.898 1.00 1.20 C ATOM 1038 O VAL A 75 107.244 -4.705 10.588 1.00 1.25 O ATOM 1039 CB VAL A 75 106.451 -3.161 12.875 1.00 1.11 C ATOM 1040 CG1 VAL A 75 106.058 -1.884 12.130 1.00 1.31 C ATOM 1041 CG2 VAL A 75 106.154 -2.989 14.370 1.00 1.57 C ATOM 0 H VAL A 75 106.868 -5.658 13.491 1.00 1.25 H new ATOM 0 HA VAL A 75 104.584 -4.094 12.348 1.00 1.16 H new ATOM 0 HB VAL A 75 107.515 -3.351 12.731 1.00 1.11 H new ATOM 0 HG11 VAL A 75 106.633 -1.044 12.519 1.00 1.31 H new ATOM 0 HG12 VAL A 75 106.266 -2.004 11.067 1.00 1.31 H new ATOM 0 HG13 VAL A 75 104.994 -1.692 12.272 1.00 1.31 H new ATOM 0 HG21 VAL A 75 106.726 -2.147 14.760 1.00 1.57 H new ATOM 0 HG22 VAL A 75 105.090 -2.800 14.510 1.00 1.57 H new ATOM 0 HG23 VAL A 75 106.435 -3.897 14.904 1.00 1.57 H new ATOM 1051 N SER A 76 105.118 -4.844 10.019 1.00 1.22 N ATOM 1052 CA SER A 76 105.455 -5.152 8.596 1.00 1.29 C ATOM 1053 C SER A 76 105.319 -3.891 7.745 1.00 1.19 C ATOM 1054 O SER A 76 104.367 -3.149 7.863 1.00 1.20 O ATOM 1055 CB SER A 76 104.510 -6.232 8.064 1.00 1.40 C ATOM 1056 OG SER A 76 105.077 -6.816 6.897 1.00 1.85 O ATOM 0 H SER A 76 104.120 -4.805 10.227 1.00 1.22 H new ATOM 0 HA SER A 76 106.483 -5.512 8.544 1.00 1.29 H new ATOM 0 HB2 SER A 76 104.346 -6.996 8.824 1.00 1.40 H new ATOM 0 HB3 SER A 76 103.537 -5.799 7.832 1.00 1.40 H new ATOM 0 HG SER A 76 105.949 -6.407 6.717 1.00 1.85 H new ATOM 1062 N TYR A 77 106.274 -3.652 6.884 1.00 1.21 N ATOM 1063 CA TYR A 77 106.235 -2.446 6.004 1.00 1.12 C ATOM 1064 C TYR A 77 106.570 -2.869 4.573 1.00 1.20 C ATOM 1065 O TYR A 77 107.533 -3.572 4.339 1.00 1.43 O ATOM 1066 CB TYR A 77 107.256 -1.413 6.504 1.00 1.07 C ATOM 1067 CG TYR A 77 108.672 -1.902 6.256 1.00 1.14 C ATOM 1068 CD1 TYR A 77 109.149 -3.045 6.914 1.00 1.33 C ATOM 1069 CD2 TYR A 77 109.511 -1.206 5.374 1.00 1.18 C ATOM 1070 CE1 TYR A 77 110.456 -3.489 6.688 1.00 1.47 C ATOM 1071 CE2 TYR A 77 110.819 -1.652 5.151 1.00 1.28 C ATOM 1072 CZ TYR A 77 111.291 -2.794 5.807 1.00 1.39 C ATOM 1073 OH TYR A 77 112.581 -3.234 5.586 1.00 1.54 O ATOM 0 H TYR A 77 107.090 -4.249 6.752 1.00 1.21 H new ATOM 0 HA TYR A 77 105.242 -1.997 6.027 1.00 1.12 H new ATOM 0 HB2 TYR A 77 107.099 -0.462 5.995 1.00 1.07 H new ATOM 0 HB3 TYR A 77 107.108 -1.233 7.569 1.00 1.07 H new ATOM 0 HD1 TYR A 77 108.507 -3.583 7.596 1.00 1.33 H new ATOM 0 HD2 TYR A 77 109.148 -0.325 4.866 1.00 1.18 H new ATOM 0 HE1 TYR A 77 110.821 -4.370 7.195 1.00 1.47 H new ATOM 0 HE2 TYR A 77 111.464 -1.114 4.472 1.00 1.28 H new ATOM 0 HH TYR A 77 113.042 -3.339 6.444 1.00 1.54 H new ATOM 1083 N VAL A 78 105.780 -2.452 3.610 1.00 1.13 N ATOM 1084 CA VAL A 78 106.053 -2.840 2.189 1.00 1.21 C ATOM 1085 C VAL A 78 106.742 -1.680 1.476 1.00 1.14 C ATOM 1086 O VAL A 78 106.184 -0.613 1.313 1.00 1.11 O ATOM 1087 CB VAL A 78 104.732 -3.193 1.482 1.00 1.29 C ATOM 1088 CG1 VAL A 78 103.918 -1.924 1.185 1.00 1.81 C ATOM 1089 CG2 VAL A 78 105.042 -3.922 0.169 1.00 1.90 C ATOM 0 H VAL A 78 104.960 -1.861 3.747 1.00 1.13 H new ATOM 0 HA VAL A 78 106.704 -3.714 2.165 1.00 1.21 H new ATOM 0 HB VAL A 78 104.144 -3.836 2.137 1.00 1.29 H new ATOM 0 HG11 VAL A 78 102.988 -2.197 0.685 1.00 1.81 H new ATOM 0 HG12 VAL A 78 103.691 -1.411 2.119 1.00 1.81 H new ATOM 0 HG13 VAL A 78 104.497 -1.263 0.540 1.00 1.81 H new ATOM 0 HG21 VAL A 78 104.110 -4.174 -0.336 1.00 1.90 H new ATOM 0 HG22 VAL A 78 105.639 -3.275 -0.474 1.00 1.90 H new ATOM 0 HG23 VAL A 78 105.598 -4.835 0.382 1.00 1.90 H new ATOM 1099 N VAL A 79 107.959 -1.876 1.055 1.00 1.17 N ATOM 1100 CA VAL A 79 108.687 -0.782 0.359 1.00 1.11 C ATOM 1101 C VAL A 79 108.316 -0.797 -1.123 1.00 1.15 C ATOM 1102 O VAL A 79 107.770 -1.759 -1.616 1.00 1.24 O ATOM 1103 CB VAL A 79 110.194 -0.993 0.513 1.00 1.14 C ATOM 1104 CG1 VAL A 79 110.571 -0.893 1.996 1.00 1.13 C ATOM 1105 CG2 VAL A 79 110.574 -2.378 -0.021 1.00 1.27 C ATOM 0 H VAL A 79 108.480 -2.746 1.163 1.00 1.17 H new ATOM 0 HA VAL A 79 108.412 0.178 0.795 1.00 1.11 H new ATOM 0 HB VAL A 79 110.729 -0.230 -0.051 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.645 -1.043 2.109 1.00 1.13 H new ATOM 0 HG12 VAL A 79 110.300 0.093 2.375 1.00 1.13 H new ATOM 0 HG13 VAL A 79 110.036 -1.658 2.560 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.648 -2.528 0.089 1.00 1.27 H new ATOM 0 HG22 VAL A 79 110.041 -3.144 0.542 1.00 1.27 H new ATOM 0 HG23 VAL A 79 110.304 -2.448 -1.075 1.00 1.27 H new ATOM 1115 N GLN A 80 108.604 0.262 -1.838 1.00 1.10 N ATOM 1116 CA GLN A 80 108.258 0.308 -3.295 1.00 1.15 C ATOM 1117 C GLN A 80 109.506 0.059 -4.146 1.00 1.17 C ATOM 1118 O GLN A 80 109.487 -0.742 -5.060 1.00 1.25 O ATOM 1119 CB GLN A 80 107.684 1.685 -3.637 1.00 1.11 C ATOM 1120 CG GLN A 80 106.991 1.629 -5.000 1.00 1.18 C ATOM 1121 CD GLN A 80 106.703 3.051 -5.485 1.00 1.80 C ATOM 1122 OE1 GLN A 80 107.611 3.798 -5.790 1.00 2.47 O ATOM 1123 NE2 GLN A 80 105.466 3.460 -5.568 1.00 2.48 N ATOM 0 H GLN A 80 109.064 1.098 -1.477 1.00 1.10 H new ATOM 0 HA GLN A 80 107.522 -0.467 -3.507 1.00 1.15 H new ATOM 0 HB2 GLN A 80 106.975 1.995 -2.870 1.00 1.11 H new ATOM 0 HB3 GLN A 80 108.481 2.428 -3.653 1.00 1.11 H new ATOM 0 HG2 GLN A 80 107.623 1.109 -5.720 1.00 1.18 H new ATOM 0 HG3 GLN A 80 106.062 1.064 -4.925 1.00 1.18 H new ATOM 0 HE21 GLN A 80 104.703 2.833 -5.312 1.00 2.48 H new ATOM 0 HE22 GLN A 80 105.262 4.407 -5.889 1.00 2.48 H new ATOM 1132 N GLU A 81 110.590 0.745 -3.874 1.00 1.11 N ATOM 1133 CA GLU A 81 111.823 0.535 -4.705 1.00 1.13 C ATOM 1134 C GLU A 81 113.098 0.957 -3.931 1.00 1.07 C ATOM 1135 O GLU A 81 113.033 1.800 -3.059 1.00 0.98 O ATOM 1136 CB GLU A 81 111.712 1.344 -6.018 1.00 1.11 C ATOM 1137 CG GLU A 81 110.751 2.508 -5.815 1.00 1.43 C ATOM 1138 CD GLU A 81 110.768 3.412 -7.050 1.00 1.37 C ATOM 1139 OE1 GLU A 81 110.058 3.105 -7.994 1.00 1.92 O ATOM 1140 OE2 GLU A 81 111.490 4.395 -7.029 1.00 1.65 O ATOM 0 H GLU A 81 110.677 1.432 -3.125 1.00 1.11 H new ATOM 0 HA GLU A 81 111.903 -0.527 -4.936 1.00 1.13 H new ATOM 0 HB2 GLU A 81 112.693 1.715 -6.313 1.00 1.11 H new ATOM 0 HB3 GLU A 81 111.358 0.702 -6.825 1.00 1.11 H new ATOM 0 HG2 GLU A 81 109.742 2.133 -5.640 1.00 1.43 H new ATOM 0 HG3 GLU A 81 111.037 3.078 -4.931 1.00 1.43 H new ATOM 1147 N PRO A 82 114.229 0.358 -4.291 1.00 1.14 N ATOM 1148 CA PRO A 82 115.534 0.649 -3.671 1.00 1.14 C ATOM 1149 C PRO A 82 115.715 2.106 -3.282 1.00 1.00 C ATOM 1150 O PRO A 82 115.081 3.004 -3.798 1.00 0.91 O ATOM 1151 CB PRO A 82 116.544 0.211 -4.733 1.00 1.23 C ATOM 1152 CG PRO A 82 115.836 -0.912 -5.514 1.00 1.30 C ATOM 1153 CD PRO A 82 114.321 -0.677 -5.344 1.00 1.26 C ATOM 0 HA PRO A 82 115.651 0.124 -2.723 1.00 1.14 H new ATOM 0 HB2 PRO A 82 116.812 1.040 -5.388 1.00 1.23 H new ATOM 0 HB3 PRO A 82 117.467 -0.146 -4.277 1.00 1.23 H new ATOM 0 HG2 PRO A 82 116.116 -0.888 -6.567 1.00 1.30 H new ATOM 0 HG3 PRO A 82 116.122 -1.891 -5.130 1.00 1.30 H new ATOM 0 HD2 PRO A 82 113.864 -0.340 -6.274 1.00 1.26 H new ATOM 0 HD3 PRO A 82 113.807 -1.592 -5.049 1.00 1.26 H new ATOM 1161 N GLY A 83 116.598 2.318 -2.347 1.00 0.99 N ATOM 1162 CA GLY A 83 116.882 3.696 -1.853 1.00 0.89 C ATOM 1163 C GLY A 83 117.272 3.613 -0.377 1.00 0.92 C ATOM 1164 O GLY A 83 117.468 2.540 0.155 1.00 1.02 O ATOM 0 H GLY A 83 117.144 1.584 -1.897 1.00 0.99 H new ATOM 0 HA2 GLY A 83 117.687 4.147 -2.432 1.00 0.89 H new ATOM 0 HA3 GLY A 83 116.005 4.331 -1.978 1.00 0.89 H new ATOM 1168 N ASP A 84 117.372 4.734 0.292 1.00 0.87 N ATOM 1169 CA ASP A 84 117.736 4.727 1.744 1.00 0.93 C ATOM 1170 C ASP A 84 116.492 5.072 2.555 1.00 0.83 C ATOM 1171 O ASP A 84 116.178 6.225 2.776 1.00 0.76 O ATOM 1172 CB ASP A 84 118.829 5.765 2.013 1.00 0.98 C ATOM 1173 CG ASP A 84 118.494 7.071 1.295 1.00 1.39 C ATOM 1174 OD1 ASP A 84 118.167 7.014 0.121 1.00 2.13 O ATOM 1175 OD2 ASP A 84 118.571 8.108 1.933 1.00 2.06 O ATOM 0 H ASP A 84 117.216 5.660 -0.107 1.00 0.87 H new ATOM 0 HA ASP A 84 118.110 3.743 2.028 1.00 0.93 H new ATOM 0 HB2 ASP A 84 118.919 5.942 3.085 1.00 0.98 H new ATOM 0 HB3 ASP A 84 119.793 5.388 1.670 1.00 0.98 H new ATOM 1180 N TYR A 85 115.779 4.078 2.995 1.00 0.84 N ATOM 1181 CA TYR A 85 114.551 4.332 3.788 1.00 0.76 C ATOM 1182 C TYR A 85 114.965 4.706 5.213 1.00 0.80 C ATOM 1183 O TYR A 85 115.784 4.051 5.825 1.00 0.92 O ATOM 1184 CB TYR A 85 113.688 3.053 3.778 1.00 0.80 C ATOM 1185 CG TYR A 85 112.568 3.173 2.768 1.00 0.73 C ATOM 1186 CD1 TYR A 85 111.366 3.794 3.125 1.00 0.64 C ATOM 1187 CD2 TYR A 85 112.735 2.658 1.478 1.00 0.78 C ATOM 1188 CE1 TYR A 85 110.331 3.901 2.191 1.00 0.61 C ATOM 1189 CE2 TYR A 85 111.701 2.765 0.544 1.00 0.75 C ATOM 1190 CZ TYR A 85 110.499 3.386 0.900 1.00 0.67 C ATOM 1191 OH TYR A 85 109.479 3.492 -0.021 1.00 0.68 O ATOM 0 H TYR A 85 115.996 3.094 2.838 1.00 0.84 H new ATOM 0 HA TYR A 85 113.968 5.150 3.366 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.310 2.190 3.539 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.272 2.881 4.771 1.00 0.80 H new ATOM 0 HD1 TYR A 85 111.238 4.190 4.121 1.00 0.64 H new ATOM 0 HD2 TYR A 85 113.663 2.178 1.204 1.00 0.78 H new ATOM 0 HE1 TYR A 85 109.403 4.380 2.465 1.00 0.61 H new ATOM 0 HE2 TYR A 85 111.830 2.368 -0.452 1.00 0.75 H new ATOM 0 HH TYR A 85 108.673 3.832 0.421 1.00 0.68 H new ATOM 1201 N GLU A 86 114.406 5.767 5.730 1.00 0.73 N ATOM 1202 CA GLU A 86 114.750 6.234 7.114 1.00 0.78 C ATOM 1203 C GLU A 86 113.519 6.053 8.007 1.00 0.74 C ATOM 1204 O GLU A 86 112.445 6.515 7.686 1.00 0.68 O ATOM 1205 CB GLU A 86 115.172 7.738 7.081 1.00 0.78 C ATOM 1206 CG GLU A 86 115.184 8.277 5.639 1.00 0.72 C ATOM 1207 CD GLU A 86 116.410 7.737 4.901 1.00 0.85 C ATOM 1208 OE1 GLU A 86 116.854 6.654 5.243 1.00 1.26 O ATOM 1209 OE2 GLU A 86 116.886 8.417 4.007 1.00 1.53 O ATOM 0 H GLU A 86 113.715 6.342 5.248 1.00 0.73 H new ATOM 0 HA GLU A 86 115.583 5.652 7.508 1.00 0.78 H new ATOM 0 HB2 GLU A 86 114.483 8.326 7.687 1.00 0.78 H new ATOM 0 HB3 GLU A 86 116.162 7.851 7.523 1.00 0.78 H new ATOM 0 HG2 GLU A 86 114.273 7.978 5.120 1.00 0.72 H new ATOM 0 HG3 GLU A 86 115.202 9.367 5.647 1.00 0.72 H new ATOM 1216 N VAL A 87 113.670 5.379 9.122 1.00 0.81 N ATOM 1217 CA VAL A 87 112.513 5.154 10.044 1.00 0.78 C ATOM 1218 C VAL A 87 112.875 5.627 11.455 1.00 0.86 C ATOM 1219 O VAL A 87 113.940 5.329 11.964 1.00 0.99 O ATOM 1220 CB VAL A 87 112.179 3.658 10.054 1.00 0.84 C ATOM 1221 CG1 VAL A 87 113.204 2.881 10.884 1.00 1.00 C ATOM 1222 CG2 VAL A 87 110.781 3.446 10.641 1.00 0.83 C ATOM 0 H VAL A 87 114.552 4.972 9.434 1.00 0.81 H new ATOM 0 HA VAL A 87 111.646 5.720 9.703 1.00 0.78 H new ATOM 0 HB VAL A 87 112.208 3.290 9.028 1.00 0.84 H new ATOM 0 HG11 VAL A 87 112.949 1.821 10.878 1.00 1.00 H new ATOM 0 HG12 VAL A 87 114.197 3.017 10.456 1.00 1.00 H new ATOM 0 HG13 VAL A 87 113.197 3.250 11.909 1.00 1.00 H new ATOM 0 HG21 VAL A 87 110.546 2.382 10.647 1.00 0.83 H new ATOM 0 HG22 VAL A 87 110.753 3.829 11.661 1.00 0.83 H new ATOM 0 HG23 VAL A 87 110.047 3.976 10.034 1.00 0.83 H new ATOM 1232 N SER A 88 111.986 6.359 12.086 1.00 0.81 N ATOM 1233 CA SER A 88 112.247 6.866 13.472 1.00 0.91 C ATOM 1234 C SER A 88 111.115 6.419 14.390 1.00 0.87 C ATOM 1235 O SER A 88 110.023 6.947 14.345 1.00 0.84 O ATOM 1236 CB SER A 88 112.315 8.393 13.452 1.00 0.94 C ATOM 1237 OG SER A 88 110.995 8.922 13.457 1.00 1.59 O ATOM 0 H SER A 88 111.083 6.629 11.696 1.00 0.81 H new ATOM 0 HA SER A 88 113.194 6.467 13.836 1.00 0.91 H new ATOM 0 HB2 SER A 88 112.868 8.755 14.319 1.00 0.94 H new ATOM 0 HB3 SER A 88 112.852 8.733 12.567 1.00 0.94 H new ATOM 0 HG SER A 88 110.532 8.639 14.273 1.00 1.59 H new ATOM 1243 N ILE A 89 111.371 5.436 15.218 1.00 0.99 N ATOM 1244 CA ILE A 89 110.316 4.920 16.144 1.00 0.98 C ATOM 1245 C ILE A 89 110.625 5.334 17.590 1.00 1.08 C ATOM 1246 O ILE A 89 111.732 5.189 18.070 1.00 1.20 O ATOM 1247 CB ILE A 89 110.263 3.388 16.022 1.00 1.03 C ATOM 1248 CG1 ILE A 89 111.378 2.747 16.871 1.00 1.19 C ATOM 1249 CG2 ILE A 89 110.442 3.001 14.548 1.00 1.00 C ATOM 1250 CD1 ILE A 89 111.594 1.283 16.461 1.00 1.29 C ATOM 0 H ILE A 89 112.273 4.966 15.292 1.00 0.99 H new ATOM 0 HA ILE A 89 109.348 5.343 15.874 1.00 0.98 H new ATOM 0 HB ILE A 89 109.301 3.027 16.385 1.00 1.03 H new ATOM 0 HG12 ILE A 89 112.305 3.306 16.746 1.00 1.19 H new ATOM 0 HG13 ILE A 89 111.114 2.800 17.927 1.00 1.19 H new ATOM 0 HG21 ILE A 89 110.406 1.916 14.450 1.00 1.00 H new ATOM 0 HG22 ILE A 89 109.643 3.446 13.955 1.00 1.00 H new ATOM 0 HG23 ILE A 89 111.405 3.366 14.190 1.00 1.00 H new ATOM 0 HD11 ILE A 89 112.385 0.847 17.071 1.00 1.29 H new ATOM 0 HD12 ILE A 89 110.671 0.723 16.610 1.00 1.29 H new ATOM 0 HD13 ILE A 89 111.880 1.238 15.410 1.00 1.29 H new ATOM 1262 N LYS A 90 109.640 5.834 18.283 1.00 1.05 N ATOM 1263 CA LYS A 90 109.824 6.253 19.699 1.00 1.16 C ATOM 1264 C LYS A 90 108.606 5.796 20.484 1.00 1.11 C ATOM 1265 O LYS A 90 107.496 6.169 20.173 1.00 1.01 O ATOM 1266 CB LYS A 90 109.883 7.778 19.773 1.00 1.22 C ATOM 1267 CG LYS A 90 108.560 8.378 19.230 1.00 1.15 C ATOM 1268 CD LYS A 90 108.837 9.707 18.507 1.00 1.34 C ATOM 1269 CE LYS A 90 109.504 9.439 17.143 1.00 1.04 C ATOM 1270 NZ LYS A 90 110.983 9.554 17.284 1.00 1.58 N ATOM 0 H LYS A 90 108.697 5.972 17.919 1.00 1.05 H new ATOM 0 HA LYS A 90 110.742 5.823 20.099 1.00 1.16 H new ATOM 0 HB2 LYS A 90 110.042 8.096 20.803 1.00 1.22 H new ATOM 0 HB3 LYS A 90 110.727 8.148 19.191 1.00 1.22 H new ATOM 0 HG2 LYS A 90 108.087 7.674 18.545 1.00 1.15 H new ATOM 0 HG3 LYS A 90 107.862 8.541 20.051 1.00 1.15 H new ATOM 0 HD2 LYS A 90 107.905 10.253 18.364 1.00 1.34 H new ATOM 0 HD3 LYS A 90 109.484 10.335 19.120 1.00 1.34 H new ATOM 0 HE2 LYS A 90 109.238 8.444 16.785 1.00 1.04 H new ATOM 0 HE3 LYS A 90 109.142 10.152 16.402 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 111.347 10.232 16.584 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 111.216 9.887 18.242 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 111.420 8.624 17.125 1.00 1.58 H new ATOM 1284 N PHE A 91 108.775 5.014 21.508 1.00 1.21 N ATOM 1285 CA PHE A 91 107.572 4.590 22.277 1.00 1.18 C ATOM 1286 C PHE A 91 107.228 5.705 23.265 1.00 1.22 C ATOM 1287 O PHE A 91 107.842 5.854 24.298 1.00 1.34 O ATOM 1288 CB PHE A 91 107.851 3.272 23.000 1.00 1.29 C ATOM 1289 CG PHE A 91 106.604 2.821 23.721 1.00 1.24 C ATOM 1290 CD1 PHE A 91 105.516 2.333 22.989 1.00 1.19 C ATOM 1291 CD2 PHE A 91 106.534 2.887 25.118 1.00 1.32 C ATOM 1292 CE1 PHE A 91 104.359 1.910 23.651 1.00 1.22 C ATOM 1293 CE2 PHE A 91 105.376 2.465 25.781 1.00 1.29 C ATOM 1294 CZ PHE A 91 104.289 1.976 25.046 1.00 1.24 C ATOM 0 H PHE A 91 109.670 4.656 21.842 1.00 1.21 H new ATOM 0 HA PHE A 91 106.726 4.422 21.611 1.00 1.18 H new ATOM 0 HB2 PHE A 91 108.166 2.512 22.285 1.00 1.29 H new ATOM 0 HB3 PHE A 91 108.668 3.400 23.710 1.00 1.29 H new ATOM 0 HD1 PHE A 91 105.570 2.283 21.912 1.00 1.19 H new ATOM 0 HD2 PHE A 91 107.373 3.263 25.684 1.00 1.32 H new ATOM 0 HE1 PHE A 91 103.520 1.533 23.085 1.00 1.22 H new ATOM 0 HE2 PHE A 91 105.321 2.516 26.858 1.00 1.29 H new ATOM 0 HZ PHE A 91 103.395 1.649 25.557 1.00 1.24 H new ATOM 1304 N ASN A 92 106.265 6.515 22.928 1.00 1.15 N ATOM 1305 CA ASN A 92 105.889 7.645 23.820 1.00 1.23 C ATOM 1306 C ASN A 92 106.987 8.716 23.759 1.00 1.32 C ATOM 1307 O ASN A 92 107.270 9.374 24.738 1.00 1.42 O ATOM 1308 CB ASN A 92 105.717 7.139 25.267 1.00 1.32 C ATOM 1309 CG ASN A 92 104.699 8.011 26.011 1.00 1.74 C ATOM 1310 OD1 ASN A 92 103.513 8.191 25.497 1.00 2.32 O flip ATOM 1311 ND2 ASN A 92 104.987 8.533 27.070 1.00 2.24 N flip ATOM 0 H ASN A 92 105.720 6.442 22.069 1.00 1.15 H new ATOM 0 HA ASN A 92 104.943 8.075 23.490 1.00 1.23 H new ATOM 0 HB2 ASN A 92 105.383 6.101 25.261 1.00 1.32 H new ATOM 0 HB3 ASN A 92 106.676 7.162 25.785 1.00 1.32 H new ATOM 0 HD21 ASN A 92 105.914 8.393 27.472 1.00 2.24 H new ATOM 0 HD22 ASN A 92 104.302 9.111 27.556 1.00 2.24 H new ATOM 1318 N ASP A 93 107.595 8.894 22.607 1.00 1.28 N ATOM 1319 CA ASP A 93 108.669 9.926 22.447 1.00 1.37 C ATOM 1320 C ASP A 93 110.015 9.427 22.976 1.00 1.45 C ATOM 1321 O ASP A 93 110.938 10.205 23.117 1.00 1.53 O ATOM 1322 CB ASP A 93 108.295 11.229 23.162 1.00 1.46 C ATOM 1323 CG ASP A 93 106.792 11.481 23.029 1.00 1.46 C ATOM 1324 OD1 ASP A 93 106.267 11.261 21.950 1.00 1.92 O ATOM 1325 OD2 ASP A 93 106.190 11.889 24.009 1.00 1.83 O ATOM 0 H ASP A 93 107.389 8.361 21.762 1.00 1.28 H new ATOM 0 HA ASP A 93 108.763 10.118 21.378 1.00 1.37 H new ATOM 0 HB2 ASP A 93 108.571 11.169 24.215 1.00 1.46 H new ATOM 0 HB3 ASP A 93 108.852 12.062 22.734 1.00 1.46 H new ATOM 1330 N GLU A 94 110.170 8.145 23.232 1.00 1.43 N ATOM 1331 CA GLU A 94 111.504 7.649 23.704 1.00 1.53 C ATOM 1332 C GLU A 94 112.210 7.023 22.505 1.00 1.52 C ATOM 1333 O GLU A 94 111.935 5.904 22.112 1.00 1.48 O ATOM 1334 CB GLU A 94 111.331 6.633 24.837 1.00 1.56 C ATOM 1335 CG GLU A 94 110.629 5.365 24.334 1.00 1.95 C ATOM 1336 CD GLU A 94 109.864 4.713 25.491 1.00 1.88 C ATOM 1337 OE1 GLU A 94 109.198 5.431 26.219 1.00 2.25 O ATOM 1338 OE2 GLU A 94 109.958 3.508 25.624 1.00 2.24 O ATOM 0 H GLU A 94 109.445 7.434 23.136 1.00 1.43 H new ATOM 0 HA GLU A 94 112.100 8.470 24.103 1.00 1.53 H new ATOM 0 HB2 GLU A 94 112.306 6.374 25.250 1.00 1.56 H new ATOM 0 HB3 GLU A 94 110.750 7.079 25.645 1.00 1.56 H new ATOM 0 HG2 GLU A 94 109.943 5.613 23.524 1.00 1.95 H new ATOM 0 HG3 GLU A 94 111.362 4.667 23.929 1.00 1.95 H new ATOM 1345 N HIS A 95 113.092 7.767 21.894 1.00 1.59 N ATOM 1346 CA HIS A 95 113.807 7.262 20.690 1.00 1.59 C ATOM 1347 C HIS A 95 114.698 6.080 21.062 1.00 1.71 C ATOM 1348 O HIS A 95 115.796 6.245 21.554 1.00 1.86 O ATOM 1349 CB HIS A 95 114.668 8.382 20.103 1.00 1.65 C ATOM 1350 CG HIS A 95 115.486 9.012 21.197 1.00 1.94 C ATOM 1351 ND1 HIS A 95 114.952 9.936 22.081 1.00 2.24 N ATOM 1352 CD2 HIS A 95 116.801 8.860 21.563 1.00 2.62 C ATOM 1353 CE1 HIS A 95 115.932 10.301 22.928 1.00 2.68 C ATOM 1354 NE2 HIS A 95 117.080 9.675 22.656 1.00 2.88 N ATOM 0 H HIS A 95 113.349 8.711 22.181 1.00 1.59 H new ATOM 0 HA HIS A 95 113.073 6.935 19.953 1.00 1.59 H new ATOM 0 HB2 HIS A 95 115.323 7.984 19.328 1.00 1.65 H new ATOM 0 HB3 HIS A 95 114.034 9.132 19.630 1.00 1.65 H new ATOM 0 HD2 HIS A 95 117.511 8.207 21.077 1.00 2.62 H new ATOM 0 HE1 HIS A 95 115.806 11.013 23.730 1.00 2.68 H new ATOM 0 HE2 HIS A 95 117.970 9.773 23.144 1.00 2.88 H new ATOM 1362 N ILE A 96 114.238 4.889 20.811 1.00 1.67 N ATOM 1363 CA ILE A 96 115.060 3.688 21.128 1.00 1.82 C ATOM 1364 C ILE A 96 116.465 3.893 20.509 1.00 1.88 C ATOM 1365 O ILE A 96 116.551 4.339 19.382 1.00 1.77 O ATOM 1366 CB ILE A 96 114.377 2.467 20.495 1.00 1.82 C ATOM 1367 CG1 ILE A 96 115.153 1.184 20.827 1.00 1.98 C ATOM 1368 CG2 ILE A 96 114.318 2.655 18.977 1.00 2.35 C ATOM 1369 CD1 ILE A 96 114.584 0.011 20.023 1.00 2.27 C ATOM 0 H ILE A 96 113.326 4.693 20.399 1.00 1.67 H new ATOM 0 HA ILE A 96 115.154 3.537 22.203 1.00 1.82 H new ATOM 0 HB ILE A 96 113.368 2.376 20.897 1.00 1.82 H new ATOM 0 HG12 ILE A 96 116.210 1.317 20.595 1.00 1.98 H new ATOM 0 HG13 ILE A 96 115.085 0.973 21.894 1.00 1.98 H new ATOM 0 HG21 ILE A 96 113.834 1.791 18.522 1.00 2.35 H new ATOM 0 HG22 ILE A 96 113.749 3.555 18.744 1.00 2.35 H new ATOM 0 HG23 ILE A 96 115.330 2.754 18.583 1.00 2.35 H new ATOM 0 HD11 ILE A 96 115.138 -0.897 20.262 1.00 2.27 H new ATOM 0 HD12 ILE A 96 113.533 -0.128 20.276 1.00 2.27 H new ATOM 0 HD13 ILE A 96 114.676 0.222 18.958 1.00 2.27 H new ATOM 1381 N PRO A 97 117.536 3.583 21.229 1.00 2.08 N ATOM 1382 CA PRO A 97 118.891 3.772 20.677 1.00 2.18 C ATOM 1383 C PRO A 97 118.969 3.181 19.263 1.00 2.06 C ATOM 1384 O PRO A 97 119.276 2.022 19.076 1.00 2.32 O ATOM 1385 CB PRO A 97 119.830 3.048 21.670 1.00 2.43 C ATOM 1386 CG PRO A 97 118.978 2.671 22.918 1.00 2.48 C ATOM 1387 CD PRO A 97 117.506 3.028 22.602 1.00 2.25 C ATOM 0 HA PRO A 97 119.169 4.821 20.576 1.00 2.18 H new ATOM 0 HB2 PRO A 97 120.259 2.156 21.213 1.00 2.43 H new ATOM 0 HB3 PRO A 97 120.662 3.693 21.953 1.00 2.43 H new ATOM 0 HG2 PRO A 97 119.075 1.609 23.142 1.00 2.48 H new ATOM 0 HG3 PRO A 97 119.324 3.215 23.797 1.00 2.48 H new ATOM 0 HD2 PRO A 97 116.865 2.148 22.659 1.00 2.25 H new ATOM 0 HD3 PRO A 97 117.114 3.755 23.314 1.00 2.25 H new ATOM 1395 N ASP A 98 118.680 3.984 18.272 1.00 2.10 N ATOM 1396 CA ASP A 98 118.716 3.506 16.857 1.00 1.98 C ATOM 1397 C ASP A 98 118.021 4.539 15.982 1.00 1.76 C ATOM 1398 O ASP A 98 118.588 5.045 15.034 1.00 1.73 O ATOM 1399 CB ASP A 98 117.997 2.135 16.743 1.00 1.95 C ATOM 1400 CG ASP A 98 119.025 0.995 16.704 1.00 2.28 C ATOM 1401 OD1 ASP A 98 119.884 1.027 15.838 1.00 2.64 O ATOM 1402 OD2 ASP A 98 118.933 0.113 17.542 1.00 2.65 O ATOM 0 H ASP A 98 118.417 4.963 18.384 1.00 2.10 H new ATOM 0 HA ASP A 98 119.748 3.380 16.530 1.00 1.98 H new ATOM 0 HB2 ASP A 98 117.324 1.998 17.590 1.00 1.95 H new ATOM 0 HB3 ASP A 98 117.384 2.112 15.842 1.00 1.95 H new ATOM 1407 N SER A 99 116.790 4.832 16.264 1.00 1.67 N ATOM 1408 CA SER A 99 116.054 5.803 15.417 1.00 1.48 C ATOM 1409 C SER A 99 116.838 7.131 15.351 1.00 1.62 C ATOM 1410 O SER A 99 117.307 7.587 16.375 1.00 1.87 O ATOM 1411 CB SER A 99 114.678 6.050 16.049 1.00 1.48 C ATOM 1412 OG SER A 99 113.773 5.045 15.611 1.00 2.00 O ATOM 0 H SER A 99 116.260 4.442 17.044 1.00 1.67 H new ATOM 0 HA SER A 99 115.939 5.409 14.407 1.00 1.48 H new ATOM 0 HB2 SER A 99 114.757 6.036 17.136 1.00 1.48 H new ATOM 0 HB3 SER A 99 114.308 7.036 15.769 1.00 1.48 H new ATOM 0 HG SER A 99 114.106 4.164 15.882 1.00 2.00 H new ATOM 1418 N PRO A 100 116.941 7.763 14.182 1.00 1.55 N ATOM 1419 CA PRO A 100 116.405 7.294 12.869 1.00 1.33 C ATOM 1420 C PRO A 100 117.465 6.433 12.133 1.00 1.33 C ATOM 1421 O PRO A 100 118.491 6.952 11.741 1.00 1.47 O ATOM 1422 CB PRO A 100 116.204 8.611 12.087 1.00 1.43 C ATOM 1423 CG PRO A 100 117.114 9.678 12.762 1.00 1.74 C ATOM 1424 CD PRO A 100 117.592 9.084 14.107 1.00 1.79 C ATOM 0 HA PRO A 100 115.504 6.690 12.969 1.00 1.33 H new ATOM 0 HB2 PRO A 100 116.471 8.483 11.038 1.00 1.43 H new ATOM 0 HB3 PRO A 100 115.159 8.921 12.114 1.00 1.43 H new ATOM 0 HG2 PRO A 100 117.964 9.918 12.124 1.00 1.74 H new ATOM 0 HG3 PRO A 100 116.565 10.605 12.924 1.00 1.74 H new ATOM 0 HD2 PRO A 100 118.678 8.993 14.137 1.00 1.79 H new ATOM 0 HD3 PRO A 100 117.302 9.717 14.946 1.00 1.79 H new ATOM 1432 N PHE A 101 117.239 5.146 11.906 1.00 1.25 N ATOM 1433 CA PHE A 101 118.276 4.337 11.154 1.00 1.36 C ATOM 1434 C PHE A 101 117.884 4.247 9.678 1.00 1.24 C ATOM 1435 O PHE A 101 116.758 4.506 9.303 1.00 1.16 O ATOM 1436 CB PHE A 101 118.430 2.912 11.728 1.00 1.55 C ATOM 1437 CG PHE A 101 117.107 2.361 12.190 1.00 1.46 C ATOM 1438 CD1 PHE A 101 116.600 2.772 13.409 1.00 1.50 C ATOM 1439 CD2 PHE A 101 116.412 1.421 11.423 1.00 1.78 C ATOM 1440 CE1 PHE A 101 115.397 2.262 13.888 1.00 1.83 C ATOM 1441 CE2 PHE A 101 115.198 0.904 11.893 1.00 2.18 C ATOM 1442 CZ PHE A 101 114.689 1.325 13.129 1.00 2.19 C ATOM 0 H PHE A 101 116.407 4.634 12.199 1.00 1.25 H new ATOM 0 HA PHE A 101 119.233 4.847 11.264 1.00 1.36 H new ATOM 0 HB2 PHE A 101 118.854 2.256 10.968 1.00 1.55 H new ATOM 0 HB3 PHE A 101 119.131 2.928 12.563 1.00 1.55 H new ATOM 0 HD1 PHE A 101 117.144 3.497 13.996 1.00 1.50 H new ATOM 0 HD2 PHE A 101 116.809 1.095 10.473 1.00 1.78 H new ATOM 0 HE1 PHE A 101 115.012 2.589 14.843 1.00 1.83 H new ATOM 0 HE2 PHE A 101 114.654 0.181 11.303 1.00 2.18 H new ATOM 0 HZ PHE A 101 113.754 0.927 13.494 1.00 2.19 H new ATOM 1452 N VAL A 102 118.820 3.883 8.838 1.00 1.28 N ATOM 1453 CA VAL A 102 118.532 3.774 7.378 1.00 1.21 C ATOM 1454 C VAL A 102 118.182 2.324 7.024 1.00 1.23 C ATOM 1455 O VAL A 102 118.666 1.391 7.634 1.00 1.34 O ATOM 1456 CB VAL A 102 119.770 4.209 6.590 1.00 1.31 C ATOM 1457 CG1 VAL A 102 120.956 3.314 6.960 1.00 1.44 C ATOM 1458 CG2 VAL A 102 119.490 4.093 5.090 1.00 1.29 C ATOM 0 H VAL A 102 119.778 3.655 9.105 1.00 1.28 H new ATOM 0 HA VAL A 102 117.688 4.416 7.124 1.00 1.21 H new ATOM 0 HB VAL A 102 120.008 5.244 6.835 1.00 1.31 H new ATOM 0 HG11 VAL A 102 121.836 3.626 6.398 1.00 1.44 H new ATOM 0 HG12 VAL A 102 121.158 3.401 8.028 1.00 1.44 H new ATOM 0 HG13 VAL A 102 120.719 2.278 6.718 1.00 1.44 H new ATOM 0 HG21 VAL A 102 120.372 4.403 4.530 1.00 1.29 H new ATOM 0 HG22 VAL A 102 119.249 3.059 4.844 1.00 1.29 H new ATOM 0 HG23 VAL A 102 118.649 4.734 4.826 1.00 1.29 H new ATOM 1468 N VAL A 103 117.342 2.136 6.036 1.00 1.15 N ATOM 1469 CA VAL A 103 116.937 0.757 5.610 1.00 1.19 C ATOM 1470 C VAL A 103 117.146 0.636 4.084 1.00 1.19 C ATOM 1471 O VAL A 103 116.234 0.899 3.327 1.00 1.10 O ATOM 1472 CB VAL A 103 115.455 0.558 5.949 1.00 1.11 C ATOM 1473 CG1 VAL A 103 114.945 -0.754 5.338 1.00 1.18 C ATOM 1474 CG2 VAL A 103 115.293 0.508 7.472 1.00 1.14 C ATOM 0 H VAL A 103 116.913 2.889 5.498 1.00 1.15 H new ATOM 0 HA VAL A 103 117.533 0.001 6.122 1.00 1.19 H new ATOM 0 HB VAL A 103 114.877 1.387 5.539 1.00 1.11 H new ATOM 0 HG11 VAL A 103 113.891 -0.885 5.585 1.00 1.18 H new ATOM 0 HG12 VAL A 103 115.062 -0.721 4.255 1.00 1.18 H new ATOM 0 HG13 VAL A 103 115.518 -1.589 5.740 1.00 1.18 H new ATOM 0 HG21 VAL A 103 114.241 0.367 7.722 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.876 -0.321 7.873 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.646 1.443 7.906 1.00 1.14 H new ATOM 1484 N PRO A 104 118.346 0.281 3.660 1.00 1.29 N ATOM 1485 CA PRO A 104 118.655 0.178 2.217 1.00 1.30 C ATOM 1486 C PRO A 104 117.825 -0.923 1.531 1.00 1.33 C ATOM 1487 O PRO A 104 118.020 -2.101 1.760 1.00 1.44 O ATOM 1488 CB PRO A 104 120.171 -0.141 2.157 1.00 1.42 C ATOM 1489 CG PRO A 104 120.696 -0.201 3.621 1.00 1.49 C ATOM 1490 CD PRO A 104 119.479 -0.038 4.557 1.00 1.41 C ATOM 0 HA PRO A 104 118.407 1.097 1.686 1.00 1.30 H new ATOM 0 HB2 PRO A 104 120.343 -1.090 1.649 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.702 0.624 1.591 1.00 1.42 H new ATOM 0 HG2 PRO A 104 121.200 -1.149 3.809 1.00 1.49 H new ATOM 0 HG3 PRO A 104 121.426 0.589 3.799 1.00 1.49 H new ATOM 0 HD2 PRO A 104 119.290 -0.951 5.122 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.644 0.758 5.283 1.00 1.41 H new ATOM 1498 N VAL A 105 116.922 -0.537 0.664 1.00 1.25 N ATOM 1499 CA VAL A 105 116.097 -1.538 -0.078 1.00 1.29 C ATOM 1500 C VAL A 105 116.833 -1.862 -1.394 1.00 1.35 C ATOM 1501 O VAL A 105 117.525 -1.017 -1.940 1.00 1.31 O ATOM 1502 CB VAL A 105 114.711 -0.930 -0.347 1.00 1.19 C ATOM 1503 CG1 VAL A 105 113.915 -1.794 -1.336 1.00 1.26 C ATOM 1504 CG2 VAL A 105 113.943 -0.849 0.971 1.00 1.15 C ATOM 0 H VAL A 105 116.720 0.437 0.437 1.00 1.25 H new ATOM 0 HA VAL A 105 115.960 -2.456 0.493 1.00 1.29 H new ATOM 0 HB VAL A 105 114.842 0.062 -0.779 1.00 1.19 H new ATOM 0 HG11 VAL A 105 112.938 -1.342 -1.510 1.00 1.26 H new ATOM 0 HG12 VAL A 105 114.457 -1.860 -2.279 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.784 -2.794 -0.922 1.00 1.26 H new ATOM 0 HG21 VAL A 105 112.958 -0.419 0.792 1.00 1.15 H new ATOM 0 HG22 VAL A 105 113.832 -1.849 1.389 1.00 1.15 H new ATOM 0 HG23 VAL A 105 114.491 -0.221 1.673 1.00 1.15 H new ATOM 1514 N ALA A 106 116.723 -3.082 -1.885 1.00 1.46 N ATOM 1515 CA ALA A 106 117.452 -3.477 -3.145 1.00 1.53 C ATOM 1516 C ALA A 106 116.527 -4.282 -4.089 1.00 1.59 C ATOM 1517 O ALA A 106 115.834 -5.182 -3.684 1.00 1.66 O ATOM 1518 CB ALA A 106 118.667 -4.329 -2.743 1.00 1.67 C ATOM 0 H ALA A 106 116.159 -3.822 -1.467 1.00 1.46 H new ATOM 0 HA ALA A 106 117.772 -2.583 -3.681 1.00 1.53 H new ATOM 0 HB1 ALA A 106 119.213 -4.629 -3.637 1.00 1.67 H new ATOM 0 HB2 ALA A 106 119.322 -3.746 -2.096 1.00 1.67 H new ATOM 0 HB3 ALA A 106 118.328 -5.217 -2.210 1.00 1.67 H new ATOM 1524 N SER A 107 116.524 -3.960 -5.351 1.00 1.59 N ATOM 1525 CA SER A 107 115.662 -4.693 -6.324 1.00 1.67 C ATOM 1526 C SER A 107 116.439 -5.895 -6.830 1.00 1.81 C ATOM 1527 O SER A 107 116.841 -5.962 -7.975 1.00 1.83 O ATOM 1528 CB SER A 107 115.311 -3.777 -7.497 1.00 1.60 C ATOM 1529 OG SER A 107 114.318 -4.403 -8.299 1.00 2.04 O ATOM 0 H SER A 107 117.087 -3.212 -5.756 1.00 1.59 H new ATOM 0 HA SER A 107 114.738 -5.014 -5.842 1.00 1.67 H new ATOM 0 HB2 SER A 107 114.946 -2.818 -7.129 1.00 1.60 H new ATOM 0 HB3 SER A 107 116.201 -3.572 -8.093 1.00 1.60 H new ATOM 0 HG SER A 107 114.089 -3.818 -9.051 1.00 2.04 H new ATOM 1535 N LEU A 108 116.675 -6.831 -5.967 1.00 1.98 N ATOM 1536 CA LEU A 108 117.458 -8.030 -6.360 1.00 2.16 C ATOM 1537 C LEU A 108 118.908 -7.578 -6.531 1.00 2.13 C ATOM 1538 O LEU A 108 119.802 -8.356 -6.796 1.00 2.33 O ATOM 1539 CB LEU A 108 116.890 -8.599 -7.680 1.00 2.25 C ATOM 1540 CG LEU A 108 116.890 -10.134 -7.659 1.00 2.76 C ATOM 1541 CD1 LEU A 108 116.080 -10.644 -8.847 1.00 3.20 C ATOM 1542 CD2 LEU A 108 118.326 -10.658 -7.756 1.00 3.20 C ATOM 0 H LEU A 108 116.358 -6.820 -4.998 1.00 1.98 H new ATOM 0 HA LEU A 108 117.400 -8.818 -5.609 1.00 2.16 H new ATOM 0 HB2 LEU A 108 115.874 -8.233 -7.831 1.00 2.25 H new ATOM 0 HB3 LEU A 108 117.486 -8.243 -8.520 1.00 2.25 H new ATOM 0 HG LEU A 108 116.447 -10.486 -6.727 1.00 2.76 H new ATOM 0 HD11 LEU A 108 116.073 -11.734 -8.842 1.00 3.20 H new ATOM 0 HD12 LEU A 108 115.057 -10.275 -8.775 1.00 3.20 H new ATOM 0 HD13 LEU A 108 116.530 -10.288 -9.774 1.00 3.20 H new ATOM 0 HD21 LEU A 108 118.317 -11.748 -7.740 1.00 3.20 H new ATOM 0 HD22 LEU A 108 118.778 -10.312 -8.686 1.00 3.20 H new ATOM 0 HD23 LEU A 108 118.906 -10.288 -6.911 1.00 3.20 H new ATOM 1554 N SER A 109 119.128 -6.303 -6.361 1.00 1.93 N ATOM 1555 CA SER A 109 120.493 -5.737 -6.486 1.00 1.92 C ATOM 1556 C SER A 109 121.240 -5.936 -5.171 1.00 2.00 C ATOM 1557 O SER A 109 122.454 -5.914 -5.129 1.00 2.09 O ATOM 1558 CB SER A 109 120.380 -4.253 -6.807 1.00 1.77 C ATOM 1559 OG SER A 109 119.876 -3.566 -5.669 1.00 2.06 O ATOM 0 H SER A 109 118.403 -5.621 -6.137 1.00 1.93 H new ATOM 0 HA SER A 109 121.041 -6.239 -7.284 1.00 1.92 H new ATOM 0 HB2 SER A 109 121.355 -3.854 -7.085 1.00 1.77 H new ATOM 0 HB3 SER A 109 119.718 -4.102 -7.660 1.00 1.77 H new ATOM 0 HG SER A 109 119.803 -2.610 -5.870 1.00 2.06 H new ATOM 1565 N ASP A 110 120.527 -6.122 -4.089 1.00 1.99 N ATOM 1566 CA ASP A 110 121.207 -6.310 -2.772 1.00 2.10 C ATOM 1567 C ASP A 110 122.251 -5.209 -2.610 1.00 2.06 C ATOM 1568 O ASP A 110 123.156 -5.295 -1.804 1.00 2.19 O ATOM 1569 CB ASP A 110 121.892 -7.677 -2.737 1.00 2.32 C ATOM 1570 CG ASP A 110 122.470 -7.924 -1.343 1.00 2.37 C ATOM 1571 OD1 ASP A 110 122.259 -7.088 -0.479 1.00 2.85 O ATOM 1572 OD2 ASP A 110 123.115 -8.943 -1.162 1.00 2.61 O ATOM 0 H ASP A 110 119.508 -6.152 -4.060 1.00 1.99 H new ATOM 0 HA ASP A 110 120.479 -6.260 -1.963 1.00 2.10 H new ATOM 0 HB2 ASP A 110 121.177 -8.460 -2.990 1.00 2.32 H new ATOM 0 HB3 ASP A 110 122.685 -7.717 -3.483 1.00 2.32 H new ATOM 1836 N ARG B 8 113.987 12.685 -1.062 1.00 0.48 N ATOM 1837 CA ARG B 8 113.145 11.512 -1.445 1.00 0.50 C ATOM 1838 C ARG B 8 111.722 11.743 -0.937 1.00 0.48 C ATOM 1839 O ARG B 8 111.485 12.586 -0.095 1.00 0.96 O ATOM 1840 CB ARG B 8 113.732 10.248 -0.803 1.00 0.67 C ATOM 1841 CG ARG B 8 115.261 10.331 -0.863 1.00 0.80 C ATOM 1842 CD ARG B 8 115.902 8.966 -0.540 1.00 1.18 C ATOM 1843 NE ARG B 8 117.083 9.168 0.359 1.00 1.76 N ATOM 1844 CZ ARG B 8 117.993 10.069 0.092 1.00 2.26 C ATOM 1845 NH1 ARG B 8 117.959 10.732 -1.031 1.00 3.04 N ATOM 1846 NH2 ARG B 8 118.964 10.281 0.939 1.00 2.64 N ATOM 0 HA ARG B 8 113.129 11.391 -2.528 1.00 0.50 H new ATOM 0 HB2 ARG B 8 113.399 10.160 0.231 1.00 0.67 H new ATOM 0 HB3 ARG B 8 113.381 9.360 -1.328 1.00 0.67 H new ATOM 0 HG2 ARG B 8 115.572 10.657 -1.855 1.00 0.80 H new ATOM 0 HG3 ARG B 8 115.616 11.080 -0.155 1.00 0.80 H new ATOM 0 HD2 ARG B 8 115.173 8.315 -0.059 1.00 1.18 H new ATOM 0 HD3 ARG B 8 116.213 8.471 -1.460 1.00 1.18 H new ATOM 0 HE ARG B 8 117.179 8.592 1.195 1.00 1.76 H new ATOM 0 HH11 ARG B 8 117.219 10.550 -1.709 1.00 3.04 H new ATOM 0 HH12 ARG B 8 118.672 11.433 -1.231 1.00 3.04 H new ATOM 0 HH21 ARG B 8 119.011 9.745 1.805 1.00 2.64 H new ATOM 0 HH22 ARG B 8 119.675 10.983 0.734 1.00 2.64 H new ATOM 1860 N VAL B 9 110.774 11.002 -1.433 1.00 0.42 N ATOM 1861 CA VAL B 9 109.375 11.187 -0.964 1.00 0.36 C ATOM 1862 C VAL B 9 109.362 11.137 0.568 1.00 0.28 C ATOM 1863 O VAL B 9 110.265 10.608 1.185 1.00 0.38 O ATOM 1864 CB VAL B 9 108.501 10.071 -1.551 1.00 0.45 C ATOM 1865 CG1 VAL B 9 107.181 9.956 -0.777 1.00 0.67 C ATOM 1866 CG2 VAL B 9 108.200 10.383 -3.020 1.00 0.66 C ATOM 0 H VAL B 9 110.906 10.279 -2.140 1.00 0.42 H new ATOM 0 HA VAL B 9 108.981 12.149 -1.292 1.00 0.36 H new ATOM 0 HB VAL B 9 109.039 9.126 -1.471 1.00 0.45 H new ATOM 0 HG11 VAL B 9 106.575 9.159 -1.208 1.00 0.67 H new ATOM 0 HG12 VAL B 9 107.391 9.728 0.268 1.00 0.67 H new ATOM 0 HG13 VAL B 9 106.639 10.899 -0.840 1.00 0.67 H new ATOM 0 HG21 VAL B 9 107.579 9.592 -3.440 1.00 0.66 H new ATOM 0 HG22 VAL B 9 107.672 11.334 -3.089 1.00 0.66 H new ATOM 0 HG23 VAL B 9 109.135 10.445 -3.578 1.00 0.66 H new ATOM 1876 N ALA B 10 108.350 11.698 1.179 1.00 0.27 N ATOM 1877 CA ALA B 10 108.265 11.708 2.676 1.00 0.35 C ATOM 1878 C ALA B 10 106.976 11.019 3.122 1.00 0.26 C ATOM 1879 O ALA B 10 105.961 11.086 2.456 1.00 0.40 O ATOM 1880 CB ALA B 10 108.257 13.156 3.169 1.00 0.58 C ATOM 0 H ALA B 10 107.571 12.154 0.703 1.00 0.27 H new ATOM 0 HA ALA B 10 109.122 11.179 3.092 1.00 0.35 H new ATOM 0 HB1 ALA B 10 108.195 13.170 4.257 1.00 0.58 H new ATOM 0 HB2 ALA B 10 109.173 13.654 2.851 1.00 0.58 H new ATOM 0 HB3 ALA B 10 107.397 13.678 2.750 1.00 0.58 H new ATOM 1886 N SER B 11 107.009 10.355 4.249 1.00 0.23 N ATOM 1887 CA SER B 11 105.786 9.655 4.755 1.00 0.22 C ATOM 1888 C SER B 11 105.694 9.824 6.274 1.00 0.23 C ATOM 1889 O SER B 11 106.692 9.829 6.968 1.00 0.30 O ATOM 1890 CB SER B 11 105.876 8.168 4.413 1.00 0.36 C ATOM 1891 OG SER B 11 104.989 7.440 5.252 1.00 1.19 O ATOM 0 H SER B 11 107.833 10.266 4.844 1.00 0.23 H new ATOM 0 HA SER B 11 104.900 10.084 4.287 1.00 0.22 H new ATOM 0 HB2 SER B 11 105.619 8.007 3.366 1.00 0.36 H new ATOM 0 HB3 SER B 11 106.898 7.813 4.549 1.00 0.36 H new ATOM 0 HG SER B 11 105.042 6.486 5.035 1.00 1.19 H new ATOM 1897 N SER B 12 104.501 9.965 6.796 1.00 0.27 N ATOM 1898 CA SER B 12 104.335 10.139 8.274 1.00 0.35 C ATOM 1899 C SER B 12 103.099 9.371 8.748 1.00 0.31 C ATOM 1900 O SER B 12 101.984 9.666 8.364 1.00 0.41 O ATOM 1901 CB SER B 12 104.161 11.624 8.594 1.00 0.52 C ATOM 1902 OG SER B 12 103.982 11.784 9.995 1.00 1.38 O ATOM 0 H SER B 12 103.632 9.967 6.262 1.00 0.27 H new ATOM 0 HA SER B 12 105.218 9.754 8.784 1.00 0.35 H new ATOM 0 HB2 SER B 12 105.034 12.185 8.261 1.00 0.52 H new ATOM 0 HB3 SER B 12 103.301 12.025 8.058 1.00 0.52 H new ATOM 0 HG SER B 12 103.872 12.735 10.204 1.00 1.38 H new ATOM 1908 N VAL B 13 103.291 8.387 9.584 1.00 0.27 N ATOM 1909 CA VAL B 13 102.136 7.594 10.092 1.00 0.27 C ATOM 1910 C VAL B 13 102.585 6.781 11.305 1.00 0.32 C ATOM 1911 O VAL B 13 103.766 6.708 11.614 1.00 0.41 O ATOM 1912 CB VAL B 13 101.645 6.652 8.990 1.00 0.32 C ATOM 1913 CG1 VAL B 13 102.806 5.780 8.508 1.00 0.42 C ATOM 1914 CG2 VAL B 13 100.516 5.759 9.524 1.00 0.41 C ATOM 0 H VAL B 13 104.203 8.097 9.938 1.00 0.27 H new ATOM 0 HA VAL B 13 101.324 8.262 10.381 1.00 0.27 H new ATOM 0 HB VAL B 13 101.264 7.245 8.158 1.00 0.32 H new ATOM 0 HG11 VAL B 13 102.456 5.109 7.723 1.00 0.42 H new ATOM 0 HG12 VAL B 13 103.600 6.415 8.115 1.00 0.42 H new ATOM 0 HG13 VAL B 13 103.191 5.193 9.342 1.00 0.42 H new ATOM 0 HG21 VAL B 13 100.174 5.093 8.732 1.00 0.41 H new ATOM 0 HG22 VAL B 13 100.885 5.167 10.362 1.00 0.41 H new ATOM 0 HG23 VAL B 13 99.686 6.382 9.858 1.00 0.41 H new ATOM 1924 N PHE B 14 101.658 6.171 12.001 1.00 0.36 N ATOM 1925 CA PHE B 14 102.051 5.369 13.192 1.00 0.45 C ATOM 1926 C PHE B 14 100.857 4.649 13.822 1.00 0.34 C ATOM 1927 O PHE B 14 99.812 4.492 13.223 1.00 0.35 O ATOM 1928 CB PHE B 14 102.659 6.280 14.244 1.00 0.59 C ATOM 1929 CG PHE B 14 101.613 7.213 14.820 1.00 0.71 C ATOM 1930 CD1 PHE B 14 101.068 8.229 14.026 1.00 0.70 C ATOM 1931 CD2 PHE B 14 101.200 7.070 16.152 1.00 1.40 C ATOM 1932 CE1 PHE B 14 100.111 9.098 14.561 1.00 1.03 C ATOM 1933 CE2 PHE B 14 100.245 7.940 16.686 1.00 1.79 C ATOM 1934 CZ PHE B 14 99.699 8.954 15.891 1.00 1.54 C ATOM 0 H PHE B 14 100.659 6.195 11.797 1.00 0.36 H new ATOM 0 HA PHE B 14 102.770 4.623 12.852 1.00 0.45 H new ATOM 0 HB2 PHE B 14 103.096 5.680 15.042 1.00 0.59 H new ATOM 0 HB3 PHE B 14 103.468 6.862 13.803 1.00 0.59 H new ATOM 0 HD1 PHE B 14 101.386 8.342 13.000 1.00 0.70 H new ATOM 0 HD2 PHE B 14 101.620 6.287 16.766 1.00 1.40 H new ATOM 0 HE1 PHE B 14 99.690 9.881 13.947 1.00 1.03 H new ATOM 0 HE2 PHE B 14 99.928 7.830 17.713 1.00 1.79 H new ATOM 0 HZ PHE B 14 98.960 9.625 16.303 1.00 1.54 H new ATOM 1944 N ILE B 15 101.030 4.207 15.049 1.00 0.34 N ATOM 1945 CA ILE B 15 99.946 3.488 15.767 1.00 0.33 C ATOM 1946 C ILE B 15 100.092 3.743 17.278 1.00 0.31 C ATOM 1947 O ILE B 15 101.117 4.209 17.743 1.00 0.58 O ATOM 1948 CB ILE B 15 100.078 1.987 15.480 1.00 0.51 C ATOM 1949 CG1 ILE B 15 101.561 1.616 15.402 1.00 0.62 C ATOM 1950 CG2 ILE B 15 99.401 1.644 14.149 1.00 0.83 C ATOM 1951 CD1 ILE B 15 101.711 0.094 15.410 1.00 1.25 C ATOM 0 H ILE B 15 101.892 4.320 15.583 1.00 0.34 H new ATOM 0 HA ILE B 15 98.970 3.841 15.433 1.00 0.33 H new ATOM 0 HB ILE B 15 99.596 1.427 16.281 1.00 0.51 H new ATOM 0 HG12 ILE B 15 102.002 2.030 14.496 1.00 0.62 H new ATOM 0 HG13 ILE B 15 102.099 2.049 16.245 1.00 0.62 H new ATOM 0 HG21 ILE B 15 99.501 0.576 13.955 1.00 0.83 H new ATOM 0 HG22 ILE B 15 98.344 1.907 14.200 1.00 0.83 H new ATOM 0 HG23 ILE B 15 99.876 2.205 13.344 1.00 0.83 H new ATOM 0 HD11 ILE B 15 102.768 -0.168 15.354 1.00 1.25 H new ATOM 0 HD12 ILE B 15 101.285 -0.309 16.329 1.00 1.25 H new ATOM 0 HD13 ILE B 15 101.187 -0.328 14.552 1.00 1.25 H new ATOM 1963 N THR B 16 99.072 3.436 18.044 1.00 0.35 N ATOM 1964 CA THR B 16 99.127 3.652 19.529 1.00 0.47 C ATOM 1965 C THR B 16 98.805 2.339 20.247 1.00 0.31 C ATOM 1966 O THR B 16 97.815 1.694 19.964 1.00 0.35 O ATOM 1967 CB THR B 16 98.092 4.709 19.920 1.00 0.75 C ATOM 1968 OG1 THR B 16 98.225 5.835 19.064 1.00 1.61 O ATOM 1969 CG2 THR B 16 98.316 5.139 21.371 1.00 1.40 C ATOM 0 H THR B 16 98.195 3.042 17.703 1.00 0.35 H new ATOM 0 HA THR B 16 100.124 3.988 19.814 1.00 0.47 H new ATOM 0 HB THR B 16 97.090 4.291 19.821 1.00 0.75 H new ATOM 0 HG1 THR B 16 97.562 6.513 19.311 1.00 1.61 H new ATOM 0 HG21 THR B 16 97.577 5.892 21.646 1.00 1.40 H new ATOM 0 HG22 THR B 16 98.214 4.274 22.027 1.00 1.40 H new ATOM 0 HG23 THR B 16 99.317 5.558 21.476 1.00 1.40 H new ATOM 1977 N LEU B 17 99.639 1.934 21.174 1.00 0.39 N ATOM 1978 CA LEU B 17 99.391 0.656 21.913 1.00 0.44 C ATOM 1979 C LEU B 17 98.749 0.955 23.273 1.00 0.31 C ATOM 1980 O LEU B 17 99.135 1.878 23.964 1.00 0.54 O ATOM 1981 CB LEU B 17 100.724 -0.073 22.133 1.00 0.72 C ATOM 1982 CG LEU B 17 101.597 0.060 20.885 1.00 0.83 C ATOM 1983 CD1 LEU B 17 102.881 -0.751 21.073 1.00 1.06 C ATOM 1984 CD2 LEU B 17 100.835 -0.470 19.667 1.00 1.32 C ATOM 0 H LEU B 17 100.483 2.435 21.451 1.00 0.39 H new ATOM 0 HA LEU B 17 98.719 0.029 21.327 1.00 0.44 H new ATOM 0 HB2 LEU B 17 101.241 0.347 22.996 1.00 0.72 H new ATOM 0 HB3 LEU B 17 100.542 -1.125 22.351 1.00 0.72 H new ATOM 0 HG LEU B 17 101.847 1.109 20.728 1.00 0.83 H new ATOM 0 HD11 LEU B 17 103.504 -0.657 20.184 1.00 1.06 H new ATOM 0 HD12 LEU B 17 103.425 -0.375 21.939 1.00 1.06 H new ATOM 0 HD13 LEU B 17 102.629 -1.800 21.230 1.00 1.06 H new ATOM 0 HD21 LEU B 17 101.458 -0.375 18.778 1.00 1.32 H new ATOM 0 HD22 LEU B 17 100.584 -1.519 19.823 1.00 1.32 H new ATOM 0 HD23 LEU B 17 99.920 0.106 19.532 1.00 1.32 H new