USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=21 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 90 LYS NZ :NH3+ -132:sc= 0.214 (180deg=-2.21!) USER MOD Set 1.2: A 95 HIS :FLIP no HD1:sc= -5.71! F(o=-9.6,f=-5.5!) USER MOD Set 2.1: A 59 SER OG : rot -127:sc= 0.539 USER MOD Set 2.2: A 80 GLN : amide:sc= 1.1 K(o=1.6,f=-7.8!) USER MOD Set 3.1: A 20 LYS NZ :NH3+ -172:sc= -2.14! (180deg=-2.84!) USER MOD Set 3.2: A 43 THR OG1 : rot -139:sc= -1.99! USER MOD Single : A 19 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-3!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0159 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 -150:sc= -0.401 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -1.18 USER MOD Single : A 77 TYR OH : rot 156:sc= 1.17 USER MOD Single : A 85 TYR OH : rot -20:sc= -2.03! USER MOD Single : A 88 SER OG : rot -7:sc= -1.05! USER MOD Single : A 92 ASN : amide:sc= -0.534 K(o=-0.53,f=-1.6) USER MOD Single : A 99 SER OG : rot 50:sc= 0.332 USER MOD Single : A 107 SER OG : rot -136:sc= -9.49! USER MOD Single : A 109 SER OG : rot 180:sc= -0.288 USER MOD Single : B 11 SER OG : rot 180:sc= -1.72! USER MOD Single : B 12 SER OG : rot 180:sc= -0.113 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N GLY A 16 112.607 7.419 28.837 1.00 2.21 N ATOM 228 CA GLY A 16 111.157 7.083 28.913 1.00 2.06 C ATOM 229 C GLY A 16 110.771 5.997 27.902 1.00 1.98 C ATOM 230 O GLY A 16 110.754 6.219 26.709 1.00 2.44 O ATOM 0 HA2 GLY A 16 110.915 6.745 29.920 1.00 2.06 H new ATOM 0 HA3 GLY A 16 110.566 7.980 28.727 1.00 2.06 H new ATOM 234 N GLY A 17 110.423 4.835 28.391 1.00 1.81 N ATOM 235 CA GLY A 17 109.985 3.719 27.501 1.00 1.74 C ATOM 236 C GLY A 17 111.108 3.265 26.572 1.00 1.78 C ATOM 237 O GLY A 17 111.383 2.092 26.454 1.00 1.80 O ATOM 0 H GLY A 17 110.424 4.609 29.386 1.00 1.81 H new ATOM 0 HA2 GLY A 17 109.653 2.877 28.109 1.00 1.74 H new ATOM 0 HA3 GLY A 17 109.129 4.041 26.908 1.00 1.74 H new ATOM 241 N ALA A 18 111.743 4.174 25.897 1.00 1.84 N ATOM 242 CA ALA A 18 112.842 3.784 24.959 1.00 1.96 C ATOM 243 C ALA A 18 113.767 2.762 25.633 1.00 2.07 C ATOM 244 O ALA A 18 114.585 2.134 24.990 1.00 2.21 O ATOM 245 CB ALA A 18 113.626 5.045 24.547 1.00 2.09 C ATOM 0 H ALA A 18 111.553 5.175 25.949 1.00 1.84 H new ATOM 0 HA ALA A 18 112.420 3.322 24.066 1.00 1.96 H new ATOM 0 HB1 ALA A 18 114.428 4.767 23.863 1.00 2.09 H new ATOM 0 HB2 ALA A 18 112.954 5.746 24.052 1.00 2.09 H new ATOM 0 HB3 ALA A 18 114.051 5.515 25.434 1.00 2.09 H new ATOM 251 N HIS A 19 113.634 2.579 26.915 1.00 2.06 N ATOM 252 CA HIS A 19 114.488 1.592 27.616 1.00 2.21 C ATOM 253 C HIS A 19 113.876 0.188 27.473 1.00 2.15 C ATOM 254 O HIS A 19 114.581 -0.781 27.276 1.00 2.33 O ATOM 255 CB HIS A 19 114.580 1.977 29.097 1.00 2.33 C ATOM 256 CG HIS A 19 115.226 0.866 29.882 1.00 2.51 C ATOM 257 ND1 HIS A 19 116.083 -0.052 29.296 1.00 2.79 N ATOM 258 CD2 HIS A 19 115.149 0.512 31.207 1.00 2.86 C ATOM 259 CE1 HIS A 19 116.484 -0.905 30.256 1.00 2.87 C ATOM 260 NE2 HIS A 19 115.945 -0.606 31.441 1.00 2.87 N ATOM 0 H HIS A 19 112.967 3.074 27.507 1.00 2.06 H new ATOM 0 HA HIS A 19 115.487 1.587 27.179 1.00 2.21 H new ATOM 0 HB2 HIS A 19 115.158 2.894 29.207 1.00 2.33 H new ATOM 0 HB3 HIS A 19 113.584 2.179 29.491 1.00 2.33 H new ATOM 0 HD1 HIS A 19 116.360 -0.077 28.315 1.00 2.79 H new ATOM 0 HD2 HIS A 19 114.560 1.023 31.954 1.00 2.86 H new ATOM 0 HE1 HIS A 19 117.159 -1.731 30.089 1.00 2.87 H new ATOM 268 N LYS A 20 112.571 0.063 27.578 1.00 2.02 N ATOM 269 CA LYS A 20 111.935 -1.289 27.456 1.00 2.01 C ATOM 270 C LYS A 20 111.487 -1.543 26.013 1.00 1.90 C ATOM 271 O LYS A 20 110.886 -2.556 25.716 1.00 1.96 O ATOM 272 CB LYS A 20 110.722 -1.379 28.399 1.00 1.99 C ATOM 273 CG LYS A 20 109.659 -0.303 28.047 1.00 1.81 C ATOM 274 CD LYS A 20 108.519 -0.919 27.215 1.00 1.74 C ATOM 275 CE LYS A 20 107.541 0.177 26.770 1.00 1.58 C ATOM 276 NZ LYS A 20 108.051 0.824 25.530 1.00 1.94 N ATOM 0 H LYS A 20 111.924 0.834 27.742 1.00 2.02 H new ATOM 0 HA LYS A 20 112.668 -2.046 27.733 1.00 2.01 H new ATOM 0 HB2 LYS A 20 110.276 -2.371 28.330 1.00 1.99 H new ATOM 0 HB3 LYS A 20 111.049 -1.248 29.431 1.00 1.99 H new ATOM 0 HG2 LYS A 20 109.255 0.130 28.962 1.00 1.81 H new ATOM 0 HG3 LYS A 20 110.126 0.509 27.489 1.00 1.81 H new ATOM 0 HD2 LYS A 20 108.929 -1.428 26.343 1.00 1.74 H new ATOM 0 HD3 LYS A 20 107.993 -1.670 27.804 1.00 1.74 H new ATOM 0 HE2 LYS A 20 106.555 -0.252 26.590 1.00 1.58 H new ATOM 0 HE3 LYS A 20 107.426 0.920 27.560 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 107.464 1.652 25.304 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 109.035 1.127 25.676 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 108.011 0.146 24.743 1.00 1.94 H new ATOM 290 N VAL A 21 111.775 -0.645 25.107 1.00 1.80 N ATOM 291 CA VAL A 21 111.358 -0.865 23.689 1.00 1.71 C ATOM 292 C VAL A 21 112.388 -1.755 22.993 1.00 1.76 C ATOM 293 O VAL A 21 113.525 -1.373 22.796 1.00 1.81 O ATOM 294 CB VAL A 21 111.250 0.482 22.962 1.00 1.64 C ATOM 295 CG1 VAL A 21 111.035 0.247 21.464 1.00 2.07 C ATOM 296 CG2 VAL A 21 110.058 1.262 23.519 1.00 1.75 C ATOM 0 H VAL A 21 112.277 0.225 25.285 1.00 1.80 H new ATOM 0 HA VAL A 21 110.384 -1.354 23.667 1.00 1.71 H new ATOM 0 HB VAL A 21 112.170 1.047 23.114 1.00 1.64 H new ATOM 0 HG11 VAL A 21 110.959 1.206 20.952 1.00 2.07 H new ATOM 0 HG12 VAL A 21 111.877 -0.314 21.059 1.00 2.07 H new ATOM 0 HG13 VAL A 21 110.116 -0.319 21.313 1.00 2.07 H new ATOM 0 HG21 VAL A 21 109.978 2.220 23.005 1.00 1.75 H new ATOM 0 HG22 VAL A 21 109.144 0.689 23.364 1.00 1.75 H new ATOM 0 HG23 VAL A 21 110.202 1.434 24.586 1.00 1.75 H new ATOM 306 N ARG A 22 111.987 -2.946 22.627 1.00 1.78 N ATOM 307 CA ARG A 22 112.918 -3.898 21.946 1.00 1.85 C ATOM 308 C ARG A 22 112.488 -4.084 20.489 1.00 1.74 C ATOM 309 O ARG A 22 111.320 -4.228 20.187 1.00 1.66 O ATOM 310 CB ARG A 22 112.857 -5.244 22.675 1.00 1.96 C ATOM 311 CG ARG A 22 113.710 -6.296 21.943 1.00 2.03 C ATOM 312 CD ARG A 22 115.153 -5.795 21.795 1.00 2.18 C ATOM 313 NE ARG A 22 116.067 -6.958 21.631 1.00 2.75 N ATOM 314 CZ ARG A 22 117.283 -6.774 21.197 1.00 3.10 C ATOM 315 NH1 ARG A 22 117.696 -5.570 20.909 1.00 3.50 N ATOM 316 NH2 ARG A 22 118.086 -7.792 21.051 1.00 3.33 N ATOM 0 H ARG A 22 111.043 -3.304 22.773 1.00 1.78 H new ATOM 0 HA ARG A 22 113.935 -3.506 21.968 1.00 1.85 H new ATOM 0 HB2 ARG A 22 113.214 -5.126 23.698 1.00 1.96 H new ATOM 0 HB3 ARG A 22 111.823 -5.584 22.736 1.00 1.96 H new ATOM 0 HG2 ARG A 22 113.698 -7.235 22.497 1.00 2.03 H new ATOM 0 HG3 ARG A 22 113.285 -6.500 20.960 1.00 2.03 H new ATOM 0 HD2 ARG A 22 115.233 -5.132 20.934 1.00 2.18 H new ATOM 0 HD3 ARG A 22 115.440 -5.214 22.672 1.00 2.18 H new ATOM 0 HE ARG A 22 115.743 -7.898 21.858 1.00 2.75 H new ATOM 0 HH11 ARG A 22 117.068 -4.774 21.023 1.00 3.50 H new ATOM 0 HH12 ARG A 22 118.647 -5.425 20.569 1.00 3.50 H new ATOM 0 HH21 ARG A 22 117.763 -8.733 21.276 1.00 3.33 H new ATOM 0 HH22 ARG A 22 119.037 -7.647 20.711 1.00 3.33 H new ATOM 330 N ALA A 23 113.433 -4.093 19.586 1.00 1.77 N ATOM 331 CA ALA A 23 113.104 -4.282 18.142 1.00 1.68 C ATOM 332 C ALA A 23 114.216 -5.104 17.488 1.00 1.77 C ATOM 333 O ALA A 23 115.343 -4.664 17.380 1.00 1.83 O ATOM 334 CB ALA A 23 113.003 -2.915 17.456 1.00 1.59 C ATOM 0 H ALA A 23 114.426 -3.977 19.788 1.00 1.77 H new ATOM 0 HA ALA A 23 112.151 -4.802 18.042 1.00 1.68 H new ATOM 0 HB1 ALA A 23 112.763 -3.054 16.402 1.00 1.59 H new ATOM 0 HB2 ALA A 23 112.219 -2.326 17.932 1.00 1.59 H new ATOM 0 HB3 ALA A 23 113.955 -2.392 17.545 1.00 1.59 H new ATOM 340 N GLY A 24 113.912 -6.300 17.060 1.00 1.80 N ATOM 341 CA GLY A 24 114.959 -7.153 16.424 1.00 1.90 C ATOM 342 C GLY A 24 114.308 -8.139 15.450 1.00 1.86 C ATOM 343 O GLY A 24 113.378 -8.846 15.791 1.00 1.86 O ATOM 0 H GLY A 24 112.986 -6.723 17.123 1.00 1.80 H new ATOM 0 HA2 GLY A 24 115.678 -6.527 15.895 1.00 1.90 H new ATOM 0 HA3 GLY A 24 115.512 -7.697 17.190 1.00 1.90 H new ATOM 347 N GLY A 25 114.787 -8.193 14.236 1.00 1.85 N ATOM 348 CA GLY A 25 114.197 -9.138 13.248 1.00 1.84 C ATOM 349 C GLY A 25 114.923 -9.011 11.907 1.00 1.84 C ATOM 350 O GLY A 25 115.900 -8.300 11.783 1.00 1.84 O ATOM 0 H GLY A 25 115.559 -7.625 13.888 1.00 1.85 H new ATOM 0 HA2 GLY A 25 114.275 -10.160 13.618 1.00 1.84 H new ATOM 0 HA3 GLY A 25 113.136 -8.926 13.118 1.00 1.84 H new ATOM 354 N THR A 26 114.443 -9.688 10.899 1.00 1.86 N ATOM 355 CA THR A 26 115.097 -9.601 9.562 1.00 1.87 C ATOM 356 C THR A 26 114.671 -8.301 8.876 1.00 1.75 C ATOM 357 O THR A 26 115.375 -7.765 8.040 1.00 1.76 O ATOM 358 CB THR A 26 114.670 -10.792 8.703 1.00 1.96 C ATOM 359 OG1 THR A 26 113.261 -10.957 8.793 1.00 2.31 O ATOM 360 CG2 THR A 26 115.367 -12.062 9.195 1.00 2.29 C ATOM 0 H THR A 26 113.626 -10.297 10.944 1.00 1.86 H new ATOM 0 HA THR A 26 116.180 -9.614 9.685 1.00 1.87 H new ATOM 0 HB THR A 26 114.951 -10.609 7.666 1.00 1.96 H new ATOM 0 HG1 THR A 26 112.985 -11.719 8.242 1.00 2.31 H new ATOM 0 HG21 THR A 26 115.059 -12.908 8.580 1.00 2.29 H new ATOM 0 HG22 THR A 26 116.447 -11.935 9.123 1.00 2.29 H new ATOM 0 HG23 THR A 26 115.092 -12.249 10.233 1.00 2.29 H new ATOM 368 N GLY A 27 113.524 -7.785 9.229 1.00 1.64 N ATOM 369 CA GLY A 27 113.057 -6.517 8.606 1.00 1.54 C ATOM 370 C GLY A 27 114.000 -5.398 9.029 1.00 1.50 C ATOM 371 O GLY A 27 114.055 -4.346 8.423 1.00 1.46 O ATOM 0 H GLY A 27 112.892 -8.188 9.921 1.00 1.64 H new ATOM 0 HA2 GLY A 27 113.043 -6.611 7.520 1.00 1.54 H new ATOM 0 HA3 GLY A 27 112.038 -6.293 8.920 1.00 1.54 H new ATOM 375 N LEU A 28 114.754 -5.630 10.069 1.00 1.57 N ATOM 376 CA LEU A 28 115.718 -4.601 10.552 1.00 1.59 C ATOM 377 C LEU A 28 117.083 -4.882 9.922 1.00 1.69 C ATOM 378 O LEU A 28 118.114 -4.642 10.517 1.00 1.83 O ATOM 379 CB LEU A 28 115.829 -4.691 12.083 1.00 1.65 C ATOM 380 CG LEU A 28 114.654 -3.948 12.751 1.00 1.58 C ATOM 381 CD1 LEU A 28 114.440 -4.495 14.165 1.00 1.66 C ATOM 382 CD2 LEU A 28 114.958 -2.446 12.843 1.00 1.61 C ATOM 0 H LEU A 28 114.743 -6.495 10.609 1.00 1.57 H new ATOM 0 HA LEU A 28 115.378 -3.603 10.274 1.00 1.59 H new ATOM 0 HB2 LEU A 28 115.830 -5.736 12.393 1.00 1.65 H new ATOM 0 HB3 LEU A 28 116.775 -4.260 12.412 1.00 1.65 H new ATOM 0 HG LEU A 28 113.758 -4.100 12.150 1.00 1.58 H new ATOM 0 HD11 LEU A 28 113.610 -3.970 14.637 1.00 1.66 H new ATOM 0 HD12 LEU A 28 114.213 -5.560 14.113 1.00 1.66 H new ATOM 0 HD13 LEU A 28 115.345 -4.346 14.754 1.00 1.66 H new ATOM 0 HD21 LEU A 28 114.120 -1.934 13.316 1.00 1.61 H new ATOM 0 HD22 LEU A 28 115.859 -2.293 13.436 1.00 1.61 H new ATOM 0 HD23 LEU A 28 115.110 -2.044 11.842 1.00 1.61 H new ATOM 394 N GLU A 29 117.093 -5.401 8.721 1.00 1.73 N ATOM 395 CA GLU A 29 118.386 -5.713 8.042 1.00 1.84 C ATOM 396 C GLU A 29 118.288 -5.350 6.559 1.00 1.75 C ATOM 397 O GLU A 29 119.135 -4.660 6.028 1.00 1.78 O ATOM 398 CB GLU A 29 118.682 -7.208 8.188 1.00 2.00 C ATOM 399 CG GLU A 29 118.375 -7.647 9.621 1.00 2.06 C ATOM 400 CD GLU A 29 118.818 -9.098 9.817 1.00 1.98 C ATOM 401 OE1 GLU A 29 118.720 -9.860 8.870 1.00 2.21 O ATOM 402 OE2 GLU A 29 119.250 -9.422 10.912 1.00 2.34 O ATOM 0 H GLU A 29 116.258 -5.623 8.179 1.00 1.73 H new ATOM 0 HA GLU A 29 119.189 -5.135 8.499 1.00 1.84 H new ATOM 0 HB2 GLU A 29 118.079 -7.780 7.483 1.00 2.00 H new ATOM 0 HB3 GLU A 29 119.727 -7.409 7.950 1.00 2.00 H new ATOM 0 HG2 GLU A 29 118.891 -6.999 10.329 1.00 2.06 H new ATOM 0 HG3 GLU A 29 117.308 -7.551 9.821 1.00 2.06 H new ATOM 409 N ARG A 30 117.269 -5.806 5.879 1.00 1.69 N ATOM 410 CA ARG A 30 117.150 -5.472 4.430 1.00 1.64 C ATOM 411 C ARG A 30 115.800 -5.940 3.879 1.00 1.59 C ATOM 412 O ARG A 30 115.036 -6.607 4.548 1.00 1.61 O ATOM 413 CB ARG A 30 118.273 -6.169 3.659 1.00 1.75 C ATOM 414 CG ARG A 30 118.263 -7.663 3.990 1.00 2.21 C ATOM 415 CD ARG A 30 119.379 -8.367 3.217 1.00 2.47 C ATOM 416 NE ARG A 30 119.271 -9.839 3.420 1.00 2.96 N ATOM 417 CZ ARG A 30 119.923 -10.656 2.638 1.00 3.36 C ATOM 418 NH1 ARG A 30 120.671 -10.183 1.680 1.00 3.77 N ATOM 419 NH2 ARG A 30 119.827 -11.945 2.815 1.00 3.76 N ATOM 0 H ARG A 30 116.523 -6.388 6.259 1.00 1.69 H new ATOM 0 HA ARG A 30 117.224 -4.391 4.312 1.00 1.64 H new ATOM 0 HB2 ARG A 30 118.140 -6.021 2.587 1.00 1.75 H new ATOM 0 HB3 ARG A 30 119.236 -5.733 3.923 1.00 1.75 H new ATOM 0 HG2 ARG A 30 118.401 -7.809 5.061 1.00 2.21 H new ATOM 0 HG3 ARG A 30 117.297 -8.097 3.730 1.00 2.21 H new ATOM 0 HD2 ARG A 30 119.307 -8.129 2.156 1.00 2.47 H new ATOM 0 HD3 ARG A 30 120.352 -8.012 3.558 1.00 2.47 H new ATOM 0 HE ARG A 30 118.687 -10.209 4.170 1.00 2.96 H new ATOM 0 HH11 ARG A 30 120.746 -9.175 1.542 1.00 3.77 H new ATOM 0 HH12 ARG A 30 121.181 -10.821 1.069 1.00 3.77 H new ATOM 0 HH21 ARG A 30 119.242 -12.315 3.565 1.00 3.76 H new ATOM 0 HH22 ARG A 30 120.337 -12.583 2.204 1.00 3.76 H new ATOM 433 N GLY A 31 115.514 -5.597 2.649 1.00 1.54 N ATOM 434 CA GLY A 31 114.230 -6.013 2.014 1.00 1.52 C ATOM 435 C GLY A 31 114.472 -6.149 0.513 1.00 1.55 C ATOM 436 O GLY A 31 115.555 -5.872 0.036 1.00 1.57 O ATOM 0 H GLY A 31 116.124 -5.039 2.051 1.00 1.54 H new ATOM 0 HA2 GLY A 31 113.886 -6.959 2.432 1.00 1.52 H new ATOM 0 HA3 GLY A 31 113.451 -5.276 2.210 1.00 1.52 H new ATOM 440 N VAL A 32 113.489 -6.579 -0.245 1.00 1.56 N ATOM 441 CA VAL A 32 113.691 -6.734 -1.725 1.00 1.60 C ATOM 442 C VAL A 32 112.507 -6.136 -2.502 1.00 1.53 C ATOM 443 O VAL A 32 111.397 -6.050 -2.015 1.00 1.50 O ATOM 444 CB VAL A 32 113.850 -8.227 -2.048 1.00 1.75 C ATOM 445 CG1 VAL A 32 113.702 -8.473 -3.557 1.00 1.80 C ATOM 446 CG2 VAL A 32 115.231 -8.714 -1.582 1.00 1.83 C ATOM 0 H VAL A 32 112.560 -6.828 0.094 1.00 1.56 H new ATOM 0 HA VAL A 32 114.589 -6.196 -2.027 1.00 1.60 H new ATOM 0 HB VAL A 32 113.070 -8.780 -1.525 1.00 1.75 H new ATOM 0 HG11 VAL A 32 113.818 -9.537 -3.765 1.00 1.80 H new ATOM 0 HG12 VAL A 32 112.716 -8.145 -3.884 1.00 1.80 H new ATOM 0 HG13 VAL A 32 114.467 -7.913 -4.094 1.00 1.80 H new ATOM 0 HG21 VAL A 32 115.340 -9.774 -1.813 1.00 1.83 H new ATOM 0 HG22 VAL A 32 116.009 -8.149 -2.096 1.00 1.83 H new ATOM 0 HG23 VAL A 32 115.325 -8.565 -0.506 1.00 1.83 H new ATOM 456 N ALA A 33 112.765 -5.712 -3.712 1.00 1.51 N ATOM 457 CA ALA A 33 111.705 -5.095 -4.570 1.00 1.46 C ATOM 458 C ALA A 33 110.357 -5.828 -4.442 1.00 1.53 C ATOM 459 O ALA A 33 110.201 -6.953 -4.873 1.00 1.64 O ATOM 460 CB ALA A 33 112.174 -5.137 -6.044 1.00 1.51 C ATOM 0 H ALA A 33 113.684 -5.768 -4.152 1.00 1.51 H new ATOM 0 HA ALA A 33 111.553 -4.068 -4.238 1.00 1.46 H new ATOM 0 HB1 ALA A 33 111.411 -4.690 -6.681 1.00 1.51 H new ATOM 0 HB2 ALA A 33 113.104 -4.578 -6.146 1.00 1.51 H new ATOM 0 HB3 ALA A 33 112.338 -6.172 -6.344 1.00 1.51 H new ATOM 466 N GLY A 34 109.376 -5.161 -3.903 1.00 1.46 N ATOM 467 CA GLY A 34 108.014 -5.755 -3.792 1.00 1.52 C ATOM 468 C GLY A 34 108.044 -7.077 -3.034 1.00 1.62 C ATOM 469 O GLY A 34 107.429 -8.041 -3.446 1.00 1.73 O ATOM 0 H GLY A 34 109.461 -4.216 -3.529 1.00 1.46 H new ATOM 0 HA2 GLY A 34 107.351 -5.056 -3.282 1.00 1.52 H new ATOM 0 HA3 GLY A 34 107.603 -5.915 -4.789 1.00 1.52 H new ATOM 473 N VAL A 35 108.731 -7.130 -1.921 1.00 1.59 N ATOM 474 CA VAL A 35 108.781 -8.392 -1.117 1.00 1.69 C ATOM 475 C VAL A 35 108.369 -8.056 0.339 1.00 1.61 C ATOM 476 O VAL A 35 108.994 -7.209 0.946 1.00 1.55 O ATOM 477 CB VAL A 35 110.211 -8.950 -1.147 1.00 1.77 C ATOM 478 CG1 VAL A 35 110.382 -10.019 -0.061 1.00 2.04 C ATOM 479 CG2 VAL A 35 110.471 -9.582 -2.521 1.00 2.19 C ATOM 0 H VAL A 35 109.262 -6.351 -1.532 1.00 1.59 H new ATOM 0 HA VAL A 35 108.102 -9.139 -1.528 1.00 1.69 H new ATOM 0 HB VAL A 35 110.918 -8.140 -0.965 1.00 1.77 H new ATOM 0 HG11 VAL A 35 111.400 -10.408 -0.091 1.00 2.04 H new ATOM 0 HG12 VAL A 35 110.191 -9.578 0.917 1.00 2.04 H new ATOM 0 HG13 VAL A 35 109.677 -10.832 -0.236 1.00 2.04 H new ATOM 0 HG21 VAL A 35 111.485 -9.981 -2.552 1.00 2.19 H new ATOM 0 HG22 VAL A 35 109.758 -10.389 -2.691 1.00 2.19 H new ATOM 0 HG23 VAL A 35 110.355 -8.826 -3.297 1.00 2.19 H new ATOM 489 N PRO A 36 107.336 -8.697 0.880 1.00 1.67 N ATOM 490 CA PRO A 36 106.906 -8.394 2.259 1.00 1.61 C ATOM 491 C PRO A 36 108.052 -8.661 3.244 1.00 1.61 C ATOM 492 O PRO A 36 108.541 -9.768 3.358 1.00 1.74 O ATOM 493 CB PRO A 36 105.702 -9.332 2.527 1.00 1.76 C ATOM 494 CG PRO A 36 105.487 -10.192 1.249 1.00 1.96 C ATOM 495 CD PRO A 36 106.529 -9.741 0.201 1.00 1.85 C ATOM 0 HA PRO A 36 106.628 -7.348 2.386 1.00 1.61 H new ATOM 0 HB2 PRO A 36 105.897 -9.969 3.390 1.00 1.76 H new ATOM 0 HB3 PRO A 36 104.807 -8.752 2.754 1.00 1.76 H new ATOM 0 HG2 PRO A 36 105.606 -11.251 1.476 1.00 1.96 H new ATOM 0 HG3 PRO A 36 104.476 -10.060 0.865 1.00 1.96 H new ATOM 0 HD2 PRO A 36 107.153 -10.576 -0.118 1.00 1.85 H new ATOM 0 HD3 PRO A 36 106.044 -9.346 -0.692 1.00 1.85 H new ATOM 503 N ALA A 37 108.466 -7.650 3.967 1.00 1.53 N ATOM 504 CA ALA A 37 109.566 -7.815 4.969 1.00 1.62 C ATOM 505 C ALA A 37 108.986 -7.526 6.351 1.00 1.53 C ATOM 506 O ALA A 37 107.941 -6.917 6.470 1.00 1.52 O ATOM 507 CB ALA A 37 110.691 -6.824 4.659 1.00 1.69 C ATOM 0 H ALA A 37 108.084 -6.706 3.905 1.00 1.53 H new ATOM 0 HA ALA A 37 109.972 -8.826 4.933 1.00 1.62 H new ATOM 0 HB1 ALA A 37 111.492 -6.943 5.388 1.00 1.69 H new ATOM 0 HB2 ALA A 37 111.079 -7.015 3.659 1.00 1.69 H new ATOM 0 HB3 ALA A 37 110.304 -5.806 4.709 1.00 1.69 H new ATOM 513 N GLU A 38 109.629 -7.955 7.402 1.00 1.50 N ATOM 514 CA GLU A 38 109.054 -7.682 8.748 1.00 1.45 C ATOM 515 C GLU A 38 110.087 -7.884 9.848 1.00 1.50 C ATOM 516 O GLU A 38 111.179 -8.369 9.631 1.00 1.60 O ATOM 517 CB GLU A 38 107.865 -8.626 8.995 1.00 1.54 C ATOM 518 CG GLU A 38 108.363 -10.033 9.359 1.00 1.68 C ATOM 519 CD GLU A 38 107.241 -11.052 9.141 1.00 1.83 C ATOM 520 OE1 GLU A 38 107.112 -11.532 8.027 1.00 2.12 O ATOM 521 OE2 GLU A 38 106.531 -11.334 10.092 1.00 2.23 O ATOM 0 H GLU A 38 110.508 -8.472 7.390 1.00 1.50 H new ATOM 0 HA GLU A 38 108.728 -6.642 8.771 1.00 1.45 H new ATOM 0 HB2 GLU A 38 107.243 -8.234 9.800 1.00 1.54 H new ATOM 0 HB3 GLU A 38 107.240 -8.674 8.103 1.00 1.54 H new ATOM 0 HG2 GLU A 38 109.227 -10.293 8.747 1.00 1.68 H new ATOM 0 HG3 GLU A 38 108.690 -10.055 10.398 1.00 1.68 H new ATOM 528 N PHE A 39 109.707 -7.530 11.038 1.00 1.46 N ATOM 529 CA PHE A 39 110.598 -7.702 12.204 1.00 1.54 C ATOM 530 C PHE A 39 109.725 -7.731 13.452 1.00 1.53 C ATOM 531 O PHE A 39 108.558 -7.393 13.409 1.00 1.50 O ATOM 532 CB PHE A 39 111.629 -6.567 12.282 1.00 1.54 C ATOM 533 CG PHE A 39 110.942 -5.231 12.460 1.00 1.31 C ATOM 534 CD1 PHE A 39 110.157 -4.708 11.429 1.00 1.36 C ATOM 535 CD2 PHE A 39 111.106 -4.507 13.648 1.00 1.34 C ATOM 536 CE1 PHE A 39 109.531 -3.466 11.582 1.00 1.32 C ATOM 537 CE2 PHE A 39 110.484 -3.263 13.801 1.00 1.37 C ATOM 538 CZ PHE A 39 109.695 -2.743 12.769 1.00 1.30 C ATOM 0 H PHE A 39 108.798 -7.121 11.253 1.00 1.46 H new ATOM 0 HA PHE A 39 111.159 -8.632 12.114 1.00 1.54 H new ATOM 0 HB2 PHE A 39 112.310 -6.745 13.114 1.00 1.54 H new ATOM 0 HB3 PHE A 39 112.232 -6.553 11.374 1.00 1.54 H new ATOM 0 HD1 PHE A 39 110.033 -5.264 10.511 1.00 1.36 H new ATOM 0 HD2 PHE A 39 111.713 -4.909 14.446 1.00 1.34 H new ATOM 0 HE1 PHE A 39 108.922 -3.066 10.785 1.00 1.32 H new ATOM 0 HE2 PHE A 39 110.613 -2.704 14.716 1.00 1.37 H new ATOM 0 HZ PHE A 39 109.213 -1.784 12.888 1.00 1.30 H new ATOM 548 N SER A 40 110.264 -8.163 14.551 1.00 1.60 N ATOM 549 CA SER A 40 109.454 -8.259 15.805 1.00 1.61 C ATOM 550 C SER A 40 109.724 -7.062 16.721 1.00 1.59 C ATOM 551 O SER A 40 110.811 -6.521 16.757 1.00 1.64 O ATOM 552 CB SER A 40 109.831 -9.545 16.542 1.00 1.73 C ATOM 553 OG SER A 40 109.374 -10.664 15.794 1.00 2.37 O ATOM 0 H SER A 40 111.236 -8.457 14.642 1.00 1.60 H new ATOM 0 HA SER A 40 108.397 -8.265 15.540 1.00 1.61 H new ATOM 0 HB2 SER A 40 110.912 -9.598 16.675 1.00 1.73 H new ATOM 0 HB3 SER A 40 109.386 -9.552 17.537 1.00 1.73 H new ATOM 0 HG SER A 40 109.615 -11.491 16.262 1.00 2.37 H new ATOM 559 N ILE A 41 108.733 -6.663 17.479 1.00 1.54 N ATOM 560 CA ILE A 41 108.901 -5.517 18.426 1.00 1.54 C ATOM 561 C ILE A 41 108.217 -5.879 19.747 1.00 1.60 C ATOM 562 O ILE A 41 107.010 -5.827 19.863 1.00 1.65 O ATOM 563 CB ILE A 41 108.248 -4.259 17.847 1.00 1.45 C ATOM 564 CG1 ILE A 41 109.017 -3.808 16.596 1.00 1.47 C ATOM 565 CG2 ILE A 41 108.277 -3.140 18.894 1.00 1.50 C ATOM 566 CD1 ILE A 41 108.274 -2.660 15.884 1.00 1.34 C ATOM 0 H ILE A 41 107.805 -7.087 17.482 1.00 1.54 H new ATOM 0 HA ILE A 41 109.962 -5.322 18.586 1.00 1.54 H new ATOM 0 HB ILE A 41 107.215 -4.480 17.577 1.00 1.45 H new ATOM 0 HG12 ILE A 41 110.018 -3.481 16.877 1.00 1.47 H new ATOM 0 HG13 ILE A 41 109.136 -4.649 15.913 1.00 1.47 H new ATOM 0 HG21 ILE A 41 107.812 -2.244 18.482 1.00 1.50 H new ATOM 0 HG22 ILE A 41 107.729 -3.458 19.781 1.00 1.50 H new ATOM 0 HG23 ILE A 41 109.310 -2.921 19.164 1.00 1.50 H new ATOM 0 HD11 ILE A 41 108.836 -2.356 15.001 1.00 1.34 H new ATOM 0 HD12 ILE A 41 107.282 -2.999 15.584 1.00 1.34 H new ATOM 0 HD13 ILE A 41 108.178 -1.813 16.563 1.00 1.34 H new ATOM 578 N TRP A 42 108.980 -6.250 20.742 1.00 1.65 N ATOM 579 CA TRP A 42 108.381 -6.625 22.062 1.00 1.71 C ATOM 580 C TRP A 42 108.515 -5.433 23.019 1.00 1.77 C ATOM 581 O TRP A 42 109.563 -4.830 23.133 1.00 1.78 O ATOM 582 CB TRP A 42 109.124 -7.873 22.596 1.00 1.88 C ATOM 583 CG TRP A 42 109.248 -7.851 24.093 1.00 2.08 C ATOM 584 CD1 TRP A 42 110.418 -7.859 24.773 1.00 2.66 C ATOM 585 CD2 TRP A 42 108.192 -7.819 25.098 1.00 2.36 C ATOM 586 NE1 TRP A 42 110.149 -7.835 26.129 1.00 2.89 N ATOM 587 CE2 TRP A 42 108.792 -7.809 26.380 1.00 2.64 C ATOM 588 CE3 TRP A 42 106.787 -7.797 25.024 1.00 3.00 C ATOM 589 CZ2 TRP A 42 108.026 -7.779 27.546 1.00 3.08 C ATOM 590 CZ3 TRP A 42 106.013 -7.767 26.196 1.00 3.68 C ATOM 591 CH2 TRP A 42 106.632 -7.757 27.454 1.00 3.56 C ATOM 0 H TRP A 42 109.997 -6.310 20.699 1.00 1.65 H new ATOM 0 HA TRP A 42 107.322 -6.867 21.967 1.00 1.71 H new ATOM 0 HB2 TRP A 42 108.591 -8.773 22.289 1.00 1.88 H new ATOM 0 HB3 TRP A 42 110.117 -7.923 22.150 1.00 1.88 H new ATOM 0 HD1 TRP A 42 111.402 -7.881 24.329 1.00 2.66 H new ATOM 0 HE1 TRP A 42 110.866 -7.836 26.855 1.00 2.89 H new ATOM 0 HE3 TRP A 42 106.300 -7.803 24.060 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 108.507 -7.773 28.513 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 104.935 -7.752 26.128 1.00 3.68 H new ATOM 0 HH2 TRP A 42 106.032 -7.732 28.351 1.00 3.56 H new ATOM 602 N THR A 43 107.456 -5.090 23.699 1.00 1.91 N ATOM 603 CA THR A 43 107.517 -3.937 24.639 1.00 2.07 C ATOM 604 C THR A 43 106.336 -4.009 25.615 1.00 1.92 C ATOM 605 O THR A 43 106.123 -5.009 26.270 1.00 2.17 O ATOM 606 CB THR A 43 107.456 -2.633 23.836 1.00 2.42 C ATOM 607 OG1 THR A 43 107.232 -1.541 24.715 1.00 2.72 O ATOM 608 CG2 THR A 43 106.323 -2.708 22.809 1.00 2.89 C ATOM 0 H THR A 43 106.552 -5.558 23.644 1.00 1.91 H new ATOM 0 HA THR A 43 108.447 -3.969 25.206 1.00 2.07 H new ATOM 0 HB THR A 43 108.403 -2.489 23.315 1.00 2.42 H new ATOM 0 HG1 THR A 43 106.593 -0.919 24.308 1.00 2.72 H new ATOM 0 HG21 THR A 43 106.284 -1.778 22.241 1.00 2.89 H new ATOM 0 HG22 THR A 43 106.502 -3.541 22.129 1.00 2.89 H new ATOM 0 HG23 THR A 43 105.374 -2.858 23.324 1.00 2.89 H new ATOM 616 N ARG A 44 105.569 -2.958 25.714 1.00 1.96 N ATOM 617 CA ARG A 44 104.401 -2.960 26.642 1.00 1.92 C ATOM 618 C ARG A 44 104.878 -3.176 28.083 1.00 1.92 C ATOM 619 O ARG A 44 104.803 -4.267 28.614 1.00 2.18 O ATOM 620 CB ARG A 44 103.429 -4.079 26.248 1.00 2.09 C ATOM 621 CG ARG A 44 103.291 -4.129 24.722 1.00 2.62 C ATOM 622 CD ARG A 44 102.050 -4.939 24.345 1.00 3.00 C ATOM 623 NE ARG A 44 102.107 -6.272 25.008 1.00 3.63 N ATOM 624 CZ ARG A 44 101.033 -7.010 25.082 1.00 4.14 C ATOM 625 NH1 ARG A 44 99.909 -6.579 24.578 1.00 4.51 N ATOM 626 NH2 ARG A 44 101.082 -8.178 25.663 1.00 4.63 N ATOM 0 H ARG A 44 105.701 -2.093 25.190 1.00 1.96 H new ATOM 0 HA ARG A 44 103.892 -1.999 26.575 1.00 1.92 H new ATOM 0 HB2 ARG A 44 103.791 -5.037 26.622 1.00 2.09 H new ATOM 0 HB3 ARG A 44 102.455 -3.906 26.706 1.00 2.09 H new ATOM 0 HG2 ARG A 44 103.214 -3.119 24.321 1.00 2.62 H new ATOM 0 HG3 ARG A 44 104.180 -4.580 24.281 1.00 2.62 H new ATOM 0 HD2 ARG A 44 101.149 -4.407 24.650 1.00 3.00 H new ATOM 0 HD3 ARG A 44 101.997 -5.061 23.263 1.00 3.00 H new ATOM 0 HE ARG A 44 102.985 -6.608 25.404 1.00 3.63 H new ATOM 0 HH11 ARG A 44 99.870 -5.665 24.126 1.00 4.51 H new ATOM 0 HH12 ARG A 44 99.070 -7.156 24.636 1.00 4.51 H new ATOM 0 HH21 ARG A 44 101.960 -8.514 26.059 1.00 4.63 H new ATOM 0 HH22 ARG A 44 100.243 -8.755 25.721 1.00 4.63 H new ATOM 640 N GLU A 45 105.357 -2.142 28.722 1.00 1.87 N ATOM 641 CA GLU A 45 105.825 -2.284 30.132 1.00 1.94 C ATOM 642 C GLU A 45 105.844 -0.902 30.797 1.00 1.84 C ATOM 643 O GLU A 45 105.365 -0.730 31.900 1.00 1.87 O ATOM 644 CB GLU A 45 107.236 -2.903 30.155 1.00 2.09 C ATOM 645 CG GLU A 45 107.452 -3.668 31.466 1.00 2.37 C ATOM 646 CD GLU A 45 106.651 -4.970 31.436 1.00 2.40 C ATOM 647 OE1 GLU A 45 106.536 -5.549 30.368 1.00 2.73 O ATOM 648 OE2 GLU A 45 106.164 -5.367 32.482 1.00 2.89 O ATOM 0 H GLU A 45 105.445 -1.205 28.329 1.00 1.87 H new ATOM 0 HA GLU A 45 105.148 -2.939 30.679 1.00 1.94 H new ATOM 0 HB2 GLU A 45 107.361 -3.576 29.307 1.00 2.09 H new ATOM 0 HB3 GLU A 45 107.987 -2.120 30.053 1.00 2.09 H new ATOM 0 HG2 GLU A 45 108.512 -3.884 31.603 1.00 2.37 H new ATOM 0 HG3 GLU A 45 107.139 -3.056 32.312 1.00 2.37 H new ATOM 655 N ALA A 46 106.389 0.086 30.136 1.00 1.74 N ATOM 656 CA ALA A 46 106.424 1.446 30.740 1.00 1.71 C ATOM 657 C ALA A 46 104.999 1.912 30.998 1.00 1.64 C ATOM 658 O ALA A 46 104.616 2.182 32.119 1.00 1.71 O ATOM 659 CB ALA A 46 107.111 2.424 29.790 1.00 1.66 C ATOM 0 H ALA A 46 106.808 0.009 29.209 1.00 1.74 H new ATOM 0 HA ALA A 46 106.981 1.410 31.676 1.00 1.71 H new ATOM 0 HB1 ALA A 46 107.131 3.416 30.241 1.00 1.66 H new ATOM 0 HB2 ALA A 46 108.131 2.091 29.600 1.00 1.66 H new ATOM 0 HB3 ALA A 46 106.561 2.464 28.850 1.00 1.66 H new ATOM 665 N GLY A 47 104.203 2.004 29.970 1.00 1.60 N ATOM 666 CA GLY A 47 102.801 2.446 30.172 1.00 1.58 C ATOM 667 C GLY A 47 102.177 2.871 28.841 1.00 1.42 C ATOM 668 O GLY A 47 102.777 2.750 27.793 1.00 1.37 O ATOM 0 H GLY A 47 104.462 1.793 29.006 1.00 1.60 H new ATOM 0 HA2 GLY A 47 102.218 1.637 30.612 1.00 1.58 H new ATOM 0 HA3 GLY A 47 102.773 3.278 30.876 1.00 1.58 H new ATOM 672 N ALA A 48 100.967 3.363 28.883 1.00 1.40 N ATOM 673 CA ALA A 48 100.283 3.795 27.631 1.00 1.27 C ATOM 674 C ALA A 48 101.168 4.782 26.870 1.00 1.21 C ATOM 675 O ALA A 48 102.101 5.340 27.412 1.00 1.37 O ATOM 676 CB ALA A 48 98.959 4.475 27.987 1.00 1.32 C ATOM 0 H ALA A 48 100.421 3.484 29.736 1.00 1.40 H new ATOM 0 HA ALA A 48 100.095 2.923 27.005 1.00 1.27 H new ATOM 0 HB1 ALA A 48 98.456 4.792 27.074 1.00 1.32 H new ATOM 0 HB2 ALA A 48 98.323 3.773 28.527 1.00 1.32 H new ATOM 0 HB3 ALA A 48 99.154 5.345 28.615 1.00 1.32 H new ATOM 682 N GLY A 49 100.881 5.003 25.615 1.00 1.04 N ATOM 683 CA GLY A 49 101.708 5.957 24.825 1.00 1.02 C ATOM 684 C GLY A 49 101.290 5.906 23.355 1.00 0.87 C ATOM 685 O GLY A 49 100.234 5.411 23.015 1.00 0.71 O ATOM 0 H GLY A 49 100.113 4.566 25.106 1.00 1.04 H new ATOM 0 HA2 GLY A 49 101.585 6.968 25.213 1.00 1.02 H new ATOM 0 HA3 GLY A 49 102.764 5.705 24.922 1.00 1.02 H new ATOM 689 N GLY A 50 102.117 6.414 22.478 1.00 0.98 N ATOM 690 CA GLY A 50 101.780 6.402 21.021 1.00 0.86 C ATOM 691 C GLY A 50 103.051 6.144 20.212 1.00 0.86 C ATOM 692 O GLY A 50 104.065 6.782 20.412 1.00 1.06 O ATOM 0 H GLY A 50 103.015 6.839 22.708 1.00 0.98 H new ATOM 0 HA2 GLY A 50 101.040 5.629 20.813 1.00 0.86 H new ATOM 0 HA3 GLY A 50 101.337 7.355 20.730 1.00 0.86 H new ATOM 696 N LEU A 51 103.002 5.210 19.297 1.00 0.74 N ATOM 697 CA LEU A 51 104.203 4.895 18.462 1.00 0.75 C ATOM 698 C LEU A 51 104.023 5.510 17.081 1.00 0.68 C ATOM 699 O LEU A 51 103.338 4.962 16.254 1.00 0.60 O ATOM 700 CB LEU A 51 104.332 3.370 18.328 1.00 0.74 C ATOM 701 CG LEU A 51 105.660 3.000 17.633 1.00 0.81 C ATOM 702 CD1 LEU A 51 106.813 3.007 18.644 1.00 1.10 C ATOM 703 CD2 LEU A 51 105.545 1.599 17.023 1.00 0.77 C ATOM 0 H LEU A 51 102.176 4.648 19.090 1.00 0.74 H new ATOM 0 HA LEU A 51 105.100 5.300 18.930 1.00 0.75 H new ATOM 0 HB2 LEU A 51 104.289 2.907 19.314 1.00 0.74 H new ATOM 0 HB3 LEU A 51 103.492 2.977 17.755 1.00 0.74 H new ATOM 0 HG LEU A 51 105.861 3.735 16.853 1.00 0.81 H new ATOM 0 HD11 LEU A 51 107.742 2.744 18.138 1.00 1.10 H new ATOM 0 HD12 LEU A 51 106.907 4.001 19.082 1.00 1.10 H new ATOM 0 HD13 LEU A 51 106.611 2.281 19.432 1.00 1.10 H new ATOM 0 HD21 LEU A 51 106.483 1.338 16.532 1.00 0.77 H new ATOM 0 HD22 LEU A 51 105.334 0.876 17.810 1.00 0.77 H new ATOM 0 HD23 LEU A 51 104.737 1.586 16.292 1.00 0.77 H new ATOM 715 N SER A 52 104.645 6.637 16.833 1.00 0.75 N ATOM 716 CA SER A 52 104.528 7.299 15.495 1.00 0.71 C ATOM 717 C SER A 52 105.626 6.753 14.579 1.00 0.70 C ATOM 718 O SER A 52 106.739 6.556 15.020 1.00 0.78 O ATOM 719 CB SER A 52 104.709 8.810 15.664 1.00 0.82 C ATOM 720 OG SER A 52 103.972 9.247 16.798 1.00 1.56 O ATOM 0 H SER A 52 105.233 7.130 17.505 1.00 0.75 H new ATOM 0 HA SER A 52 103.549 7.098 15.060 1.00 0.71 H new ATOM 0 HB2 SER A 52 105.765 9.050 15.788 1.00 0.82 H new ATOM 0 HB3 SER A 52 104.366 9.331 14.770 1.00 0.82 H new ATOM 0 HG SER A 52 104.087 10.214 16.910 1.00 1.56 H new ATOM 726 N ILE A 53 105.338 6.500 13.311 1.00 0.61 N ATOM 727 CA ILE A 53 106.396 5.960 12.393 1.00 0.61 C ATOM 728 C ILE A 53 106.475 6.816 11.129 1.00 0.57 C ATOM 729 O ILE A 53 105.563 6.839 10.326 1.00 0.65 O ATOM 730 CB ILE A 53 106.047 4.525 12.001 1.00 0.56 C ATOM 731 CG1 ILE A 53 105.959 3.660 13.262 1.00 0.64 C ATOM 732 CG2 ILE A 53 107.128 3.971 11.069 1.00 0.63 C ATOM 733 CD1 ILE A 53 105.362 2.296 12.908 1.00 0.64 C ATOM 0 H ILE A 53 104.424 6.644 12.882 1.00 0.61 H new ATOM 0 HA ILE A 53 107.357 5.981 12.907 1.00 0.61 H new ATOM 0 HB ILE A 53 105.087 4.511 11.485 1.00 0.56 H new ATOM 0 HG12 ILE A 53 106.950 3.533 13.698 1.00 0.64 H new ATOM 0 HG13 ILE A 53 105.342 4.155 14.012 1.00 0.64 H new ATOM 0 HG21 ILE A 53 106.878 2.947 10.790 1.00 0.63 H new ATOM 0 HG22 ILE A 53 107.186 4.588 10.172 1.00 0.63 H new ATOM 0 HG23 ILE A 53 108.090 3.983 11.581 1.00 0.63 H new ATOM 0 HD11 ILE A 53 105.300 1.682 13.806 1.00 0.64 H new ATOM 0 HD12 ILE A 53 104.364 2.433 12.492 1.00 0.64 H new ATOM 0 HD13 ILE A 53 105.996 1.801 12.173 1.00 0.64 H new ATOM 745 N ALA A 54 107.569 7.510 10.940 1.00 0.60 N ATOM 746 CA ALA A 54 107.733 8.359 9.722 1.00 0.57 C ATOM 747 C ALA A 54 108.646 7.631 8.736 1.00 0.54 C ATOM 748 O ALA A 54 109.843 7.546 8.931 1.00 0.63 O ATOM 749 CB ALA A 54 108.368 9.695 10.116 1.00 0.69 C ATOM 0 H ALA A 54 108.361 7.524 11.583 1.00 0.60 H new ATOM 0 HA ALA A 54 106.762 8.544 9.262 1.00 0.57 H new ATOM 0 HB1 ALA A 54 108.489 10.316 9.229 1.00 0.69 H new ATOM 0 HB2 ALA A 54 107.725 10.206 10.832 1.00 0.69 H new ATOM 0 HB3 ALA A 54 109.343 9.515 10.568 1.00 0.69 H new ATOM 755 N VAL A 55 108.087 7.099 7.681 1.00 0.45 N ATOM 756 CA VAL A 55 108.905 6.363 6.669 1.00 0.47 C ATOM 757 C VAL A 55 109.117 7.254 5.445 1.00 0.41 C ATOM 758 O VAL A 55 108.241 7.990 5.036 1.00 0.39 O ATOM 759 CB VAL A 55 108.158 5.082 6.240 1.00 0.47 C ATOM 760 CG1 VAL A 55 108.569 3.904 7.132 1.00 0.91 C ATOM 761 CG2 VAL A 55 106.645 5.303 6.364 1.00 0.79 C ATOM 0 H VAL A 55 107.089 7.143 7.474 1.00 0.45 H new ATOM 0 HA VAL A 55 109.869 6.098 7.103 1.00 0.47 H new ATOM 0 HB VAL A 55 108.416 4.856 5.205 1.00 0.47 H new ATOM 0 HG11 VAL A 55 108.035 3.007 6.819 1.00 0.91 H new ATOM 0 HG12 VAL A 55 109.642 3.737 7.043 1.00 0.91 H new ATOM 0 HG13 VAL A 55 108.322 4.130 8.169 1.00 0.91 H new ATOM 0 HG21 VAL A 55 106.119 4.398 6.061 1.00 0.79 H new ATOM 0 HG22 VAL A 55 106.395 5.538 7.399 1.00 0.79 H new ATOM 0 HG23 VAL A 55 106.344 6.130 5.721 1.00 0.79 H new ATOM 771 N GLU A 56 110.272 7.170 4.844 1.00 0.44 N ATOM 772 CA GLU A 56 110.555 7.982 3.626 1.00 0.40 C ATOM 773 C GLU A 56 111.382 7.122 2.658 1.00 0.43 C ATOM 774 O GLU A 56 112.202 6.325 3.065 1.00 0.52 O ATOM 775 CB GLU A 56 111.284 9.287 4.034 1.00 0.47 C ATOM 776 CG GLU A 56 112.262 9.739 2.944 1.00 0.49 C ATOM 777 CD GLU A 56 112.754 11.155 3.252 1.00 1.08 C ATOM 778 OE1 GLU A 56 112.043 12.092 2.928 1.00 1.80 O ATOM 779 OE2 GLU A 56 113.834 11.278 3.806 1.00 1.71 O ATOM 0 H GLU A 56 111.038 6.569 5.147 1.00 0.44 H new ATOM 0 HA GLU A 56 109.635 8.276 3.120 1.00 0.40 H new ATOM 0 HB2 GLU A 56 110.552 10.073 4.218 1.00 0.47 H new ATOM 0 HB3 GLU A 56 111.824 9.129 4.968 1.00 0.47 H new ATOM 0 HG2 GLU A 56 113.107 9.053 2.892 1.00 0.49 H new ATOM 0 HG3 GLU A 56 111.773 9.717 1.970 1.00 0.49 H new ATOM 786 N GLY A 57 111.154 7.266 1.381 1.00 0.41 N ATOM 787 CA GLY A 57 111.905 6.448 0.391 1.00 0.49 C ATOM 788 C GLY A 57 111.254 6.606 -0.992 1.00 0.45 C ATOM 789 O GLY A 57 110.373 7.423 -1.159 1.00 0.44 O ATOM 0 H GLY A 57 110.478 7.917 0.981 1.00 0.41 H new ATOM 0 HA2 GLY A 57 112.947 6.766 0.354 1.00 0.49 H new ATOM 0 HA3 GLY A 57 111.902 5.400 0.690 1.00 0.49 H new ATOM 793 N PRO A 58 111.711 5.826 -1.949 1.00 0.50 N ATOM 794 CA PRO A 58 111.175 5.883 -3.326 1.00 0.52 C ATOM 795 C PRO A 58 109.700 5.477 -3.370 1.00 0.54 C ATOM 796 O PRO A 58 108.961 5.903 -4.236 1.00 0.56 O ATOM 797 CB PRO A 58 112.039 4.890 -4.128 1.00 0.63 C ATOM 798 CG PRO A 58 113.116 4.314 -3.161 1.00 0.66 C ATOM 799 CD PRO A 58 112.797 4.844 -1.746 1.00 0.60 C ATOM 0 HA PRO A 58 111.218 6.893 -3.733 1.00 0.52 H new ATOM 0 HB2 PRO A 58 111.423 4.089 -4.536 1.00 0.63 H new ATOM 0 HB3 PRO A 58 112.512 5.390 -4.973 1.00 0.63 H new ATOM 0 HG2 PRO A 58 113.101 3.224 -3.175 1.00 0.66 H new ATOM 0 HG3 PRO A 58 114.114 4.623 -3.471 1.00 0.66 H new ATOM 0 HD2 PRO A 58 112.483 4.038 -1.083 1.00 0.60 H new ATOM 0 HD3 PRO A 58 113.671 5.309 -1.291 1.00 0.60 H new ATOM 807 N SER A 59 109.267 4.659 -2.455 1.00 0.56 N ATOM 808 CA SER A 59 107.831 4.224 -2.454 1.00 0.60 C ATOM 809 C SER A 59 107.309 4.168 -1.018 1.00 0.55 C ATOM 810 O SER A 59 108.061 4.247 -0.067 1.00 0.55 O ATOM 811 CB SER A 59 107.720 2.841 -3.099 1.00 0.71 C ATOM 812 OG SER A 59 107.820 2.975 -4.511 1.00 1.55 O ATOM 0 H SER A 59 109.839 4.269 -1.706 1.00 0.56 H new ATOM 0 HA SER A 59 107.235 4.938 -3.022 1.00 0.60 H new ATOM 0 HB2 SER A 59 108.510 2.188 -2.727 1.00 0.71 H new ATOM 0 HB3 SER A 59 106.771 2.377 -2.832 1.00 0.71 H new ATOM 0 HG SER A 59 107.056 2.532 -4.937 1.00 1.55 H new ATOM 818 N LYS A 60 106.017 4.039 -0.856 1.00 0.59 N ATOM 819 CA LYS A 60 105.428 3.983 0.515 1.00 0.57 C ATOM 820 C LYS A 60 105.344 2.527 0.976 1.00 0.63 C ATOM 821 O LYS A 60 104.789 1.684 0.300 1.00 0.73 O ATOM 822 CB LYS A 60 104.020 4.588 0.492 1.00 0.63 C ATOM 823 CG LYS A 60 104.037 5.921 -0.269 1.00 1.23 C ATOM 824 CD LYS A 60 102.617 6.511 -0.329 1.00 1.29 C ATOM 825 CE LYS A 60 102.296 7.258 0.971 1.00 1.87 C ATOM 826 NZ LYS A 60 100.982 7.949 0.833 1.00 2.53 N ATOM 0 H LYS A 60 105.342 3.970 -1.618 1.00 0.59 H new ATOM 0 HA LYS A 60 106.058 4.548 1.202 1.00 0.57 H new ATOM 0 HB2 LYS A 60 103.325 3.896 0.016 1.00 0.63 H new ATOM 0 HB3 LYS A 60 103.666 4.745 1.511 1.00 0.63 H new ATOM 0 HG2 LYS A 60 104.710 6.622 0.224 1.00 1.23 H new ATOM 0 HG3 LYS A 60 104.419 5.768 -1.278 1.00 1.23 H new ATOM 0 HD2 LYS A 60 102.534 7.191 -1.177 1.00 1.29 H new ATOM 0 HD3 LYS A 60 101.891 5.714 -0.487 1.00 1.29 H new ATOM 0 HE2 LYS A 60 102.266 6.559 1.807 1.00 1.87 H new ATOM 0 HE3 LYS A 60 103.080 7.983 1.190 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 100.762 8.456 1.714 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 101.027 8.626 0.045 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 100.239 7.247 0.643 1.00 2.53 H new ATOM 840 N ALA A 61 105.889 2.224 2.124 1.00 0.66 N ATOM 841 CA ALA A 61 105.838 0.821 2.631 1.00 0.76 C ATOM 842 C ALA A 61 104.533 0.608 3.406 1.00 0.77 C ATOM 843 O ALA A 61 104.134 1.433 4.204 1.00 0.78 O ATOM 844 CB ALA A 61 107.038 0.569 3.549 1.00 0.82 C ATOM 0 H ALA A 61 106.368 2.888 2.733 1.00 0.66 H new ATOM 0 HA ALA A 61 105.875 0.124 1.793 1.00 0.76 H new ATOM 0 HB1 ALA A 61 107.003 -0.455 3.921 1.00 0.82 H new ATOM 0 HB2 ALA A 61 107.962 0.721 2.990 1.00 0.82 H new ATOM 0 HB3 ALA A 61 107.004 1.262 4.390 1.00 0.82 H new ATOM 850 N GLU A 62 103.859 -0.491 3.174 1.00 0.88 N ATOM 851 CA GLU A 62 102.574 -0.750 3.895 1.00 0.93 C ATOM 852 C GLU A 62 102.848 -1.510 5.195 1.00 0.96 C ATOM 853 O GLU A 62 102.931 -2.722 5.208 1.00 1.43 O ATOM 854 CB GLU A 62 101.638 -1.580 3.003 1.00 1.11 C ATOM 855 CG GLU A 62 100.194 -1.433 3.494 1.00 1.50 C ATOM 856 CD GLU A 62 99.307 -2.461 2.787 1.00 1.72 C ATOM 857 OE1 GLU A 62 99.422 -3.632 3.107 1.00 2.14 O ATOM 858 OE2 GLU A 62 98.528 -2.058 1.939 1.00 2.30 O ATOM 0 H GLU A 62 104.142 -1.219 2.518 1.00 0.88 H new ATOM 0 HA GLU A 62 102.101 0.203 4.130 1.00 0.93 H new ATOM 0 HB2 GLU A 62 101.716 -1.247 1.968 1.00 1.11 H new ATOM 0 HB3 GLU A 62 101.935 -2.629 3.024 1.00 1.11 H new ATOM 0 HG2 GLU A 62 100.149 -1.579 4.573 1.00 1.50 H new ATOM 0 HG3 GLU A 62 99.831 -0.425 3.293 1.00 1.50 H new ATOM 865 N ILE A 63 102.978 -0.795 6.283 1.00 0.97 N ATOM 866 CA ILE A 63 103.234 -1.438 7.606 1.00 0.94 C ATOM 867 C ILE A 63 102.071 -2.380 7.940 1.00 1.01 C ATOM 868 O ILE A 63 100.961 -2.190 7.485 1.00 1.06 O ATOM 869 CB ILE A 63 103.347 -0.338 8.679 1.00 0.89 C ATOM 870 CG1 ILE A 63 104.725 0.333 8.581 1.00 1.06 C ATOM 871 CG2 ILE A 63 103.174 -0.940 10.082 1.00 1.28 C ATOM 872 CD1 ILE A 63 104.861 1.061 7.240 1.00 1.40 C ATOM 0 H ILE A 63 102.917 0.223 6.310 1.00 0.97 H new ATOM 0 HA ILE A 63 104.160 -2.012 7.576 1.00 0.94 H new ATOM 0 HB ILE A 63 102.562 0.400 8.510 1.00 0.89 H new ATOM 0 HG12 ILE A 63 104.854 1.039 9.402 1.00 1.06 H new ATOM 0 HG13 ILE A 63 105.511 -0.416 8.678 1.00 1.06 H new ATOM 0 HG21 ILE A 63 103.256 -0.151 10.829 1.00 1.28 H new ATOM 0 HG22 ILE A 63 102.194 -1.411 10.158 1.00 1.28 H new ATOM 0 HG23 ILE A 63 103.949 -1.686 10.256 1.00 1.28 H new ATOM 0 HD11 ILE A 63 105.841 1.533 7.180 1.00 1.40 H new ATOM 0 HD12 ILE A 63 104.753 0.345 6.425 1.00 1.40 H new ATOM 0 HD13 ILE A 63 104.086 1.823 7.159 1.00 1.40 H new ATOM 884 N ALA A 64 102.311 -3.394 8.735 1.00 1.04 N ATOM 885 CA ALA A 64 101.211 -4.335 9.093 1.00 1.13 C ATOM 886 C ALA A 64 101.488 -4.933 10.480 1.00 1.14 C ATOM 887 O ALA A 64 102.524 -5.522 10.715 1.00 1.36 O ATOM 888 CB ALA A 64 101.131 -5.447 8.034 1.00 1.26 C ATOM 0 H ALA A 64 103.218 -3.608 9.149 1.00 1.04 H new ATOM 0 HA ALA A 64 100.259 -3.805 9.121 1.00 1.13 H new ATOM 0 HB1 ALA A 64 100.328 -6.138 8.292 1.00 1.26 H new ATOM 0 HB2 ALA A 64 100.931 -5.006 7.058 1.00 1.26 H new ATOM 0 HB3 ALA A 64 102.077 -5.987 8.001 1.00 1.26 H new ATOM 894 N PHE A 65 100.568 -4.789 11.397 1.00 1.16 N ATOM 895 CA PHE A 65 100.777 -5.353 12.765 1.00 1.16 C ATOM 896 C PHE A 65 100.260 -6.793 12.805 1.00 1.28 C ATOM 897 O PHE A 65 99.117 -7.059 12.489 1.00 1.35 O ATOM 898 CB PHE A 65 100.008 -4.510 13.785 1.00 1.11 C ATOM 899 CG PHE A 65 98.528 -4.603 13.500 1.00 1.20 C ATOM 900 CD1 PHE A 65 97.946 -3.767 12.540 1.00 1.23 C ATOM 901 CD2 PHE A 65 97.738 -5.525 14.197 1.00 1.30 C ATOM 902 CE1 PHE A 65 96.574 -3.853 12.276 1.00 1.37 C ATOM 903 CE2 PHE A 65 96.366 -5.611 13.933 1.00 1.43 C ATOM 904 CZ PHE A 65 95.784 -4.775 12.973 1.00 1.47 C ATOM 0 H PHE A 65 99.681 -4.305 11.259 1.00 1.16 H new ATOM 0 HA PHE A 65 101.840 -5.339 13.007 1.00 1.16 H new ATOM 0 HB2 PHE A 65 100.218 -4.861 14.795 1.00 1.11 H new ATOM 0 HB3 PHE A 65 100.335 -3.471 13.735 1.00 1.11 H new ATOM 0 HD1 PHE A 65 98.556 -3.055 12.003 1.00 1.23 H new ATOM 0 HD2 PHE A 65 98.187 -6.170 14.938 1.00 1.30 H new ATOM 0 HE1 PHE A 65 96.125 -3.208 11.535 1.00 1.37 H new ATOM 0 HE2 PHE A 65 95.756 -6.323 14.470 1.00 1.43 H new ATOM 0 HZ PHE A 65 94.725 -4.841 12.770 1.00 1.47 H new ATOM 914 N GLU A 66 101.093 -7.728 13.192 1.00 1.35 N ATOM 915 CA GLU A 66 100.652 -9.157 13.253 1.00 1.50 C ATOM 916 C GLU A 66 101.263 -9.835 14.480 1.00 1.54 C ATOM 917 O GLU A 66 102.454 -10.065 14.545 1.00 1.61 O ATOM 918 CB GLU A 66 101.117 -9.890 11.993 1.00 1.62 C ATOM 919 CG GLU A 66 100.724 -11.367 12.086 1.00 1.80 C ATOM 920 CD GLU A 66 100.949 -12.042 10.732 1.00 1.94 C ATOM 921 OE1 GLU A 66 101.192 -11.331 9.771 1.00 2.51 O ATOM 922 OE2 GLU A 66 100.873 -13.259 10.679 1.00 2.01 O ATOM 0 H GLU A 66 102.061 -7.563 13.469 1.00 1.35 H new ATOM 0 HA GLU A 66 99.565 -9.192 13.320 1.00 1.50 H new ATOM 0 HB2 GLU A 66 100.666 -9.438 11.109 1.00 1.62 H new ATOM 0 HB3 GLU A 66 102.197 -9.797 11.883 1.00 1.62 H new ATOM 0 HG2 GLU A 66 101.316 -11.864 12.855 1.00 1.80 H new ATOM 0 HG3 GLU A 66 99.678 -11.458 12.380 1.00 1.80 H new ATOM 1006 N SER A 72 104.995 -10.408 21.478 1.00 1.78 N ATOM 1007 CA SER A 72 105.884 -9.640 20.560 1.00 1.72 C ATOM 1008 C SER A 72 105.037 -9.011 19.454 1.00 1.60 C ATOM 1009 O SER A 72 104.242 -9.674 18.816 1.00 1.64 O ATOM 1010 CB SER A 72 106.913 -10.584 19.938 1.00 1.82 C ATOM 1011 OG SER A 72 107.406 -10.011 18.734 1.00 2.20 O ATOM 0 HA SER A 72 106.401 -8.859 21.118 1.00 1.72 H new ATOM 0 HB2 SER A 72 107.733 -10.757 20.635 1.00 1.82 H new ATOM 0 HB3 SER A 72 106.458 -11.553 19.734 1.00 1.82 H new ATOM 0 HG SER A 72 107.658 -10.725 18.112 1.00 2.20 H new ATOM 1017 N CYS A 73 105.195 -7.737 19.219 1.00 1.50 N ATOM 1018 CA CYS A 73 104.390 -7.072 18.149 1.00 1.40 C ATOM 1019 C CYS A 73 105.100 -7.233 16.804 1.00 1.37 C ATOM 1020 O CYS A 73 106.170 -6.700 16.586 1.00 1.39 O ATOM 1021 CB CYS A 73 104.232 -5.584 18.473 1.00 1.31 C ATOM 1022 SG CYS A 73 103.358 -5.400 20.048 1.00 2.05 S ATOM 0 H CYS A 73 105.843 -7.128 19.718 1.00 1.50 H new ATOM 0 HA CYS A 73 103.404 -7.534 18.097 1.00 1.40 H new ATOM 0 HB2 CYS A 73 105.211 -5.107 18.530 1.00 1.31 H new ATOM 0 HB3 CYS A 73 103.679 -5.084 17.677 1.00 1.31 H new ATOM 0 HG CYS A 73 103.225 -4.137 20.326 1.00 2.05 H new ATOM 1028 N GLY A 74 104.513 -7.972 15.900 1.00 1.39 N ATOM 1029 CA GLY A 74 105.149 -8.180 14.566 1.00 1.38 C ATOM 1030 C GLY A 74 104.733 -7.057 13.616 1.00 1.28 C ATOM 1031 O GLY A 74 103.577 -6.918 13.270 1.00 1.26 O ATOM 0 H GLY A 74 103.617 -8.442 16.029 1.00 1.39 H new ATOM 0 HA2 GLY A 74 106.234 -8.199 14.669 1.00 1.38 H new ATOM 0 HA3 GLY A 74 104.850 -9.145 14.157 1.00 1.38 H new ATOM 1035 N VAL A 75 105.676 -6.259 13.190 1.00 1.25 N ATOM 1036 CA VAL A 75 105.365 -5.132 12.252 1.00 1.16 C ATOM 1037 C VAL A 75 105.891 -5.483 10.860 1.00 1.20 C ATOM 1038 O VAL A 75 107.077 -5.438 10.600 1.00 1.25 O ATOM 1039 CB VAL A 75 106.043 -3.858 12.768 1.00 1.11 C ATOM 1040 CG1 VAL A 75 105.590 -2.656 11.938 1.00 1.31 C ATOM 1041 CG2 VAL A 75 105.651 -3.637 14.236 1.00 1.57 C ATOM 0 H VAL A 75 106.659 -6.338 13.452 1.00 1.25 H new ATOM 0 HA VAL A 75 104.289 -4.969 12.196 1.00 1.16 H new ATOM 0 HB VAL A 75 107.124 -3.965 12.685 1.00 1.11 H new ATOM 0 HG11 VAL A 75 106.075 -1.754 12.310 1.00 1.31 H new ATOM 0 HG12 VAL A 75 105.863 -2.811 10.894 1.00 1.31 H new ATOM 0 HG13 VAL A 75 104.509 -2.545 12.018 1.00 1.31 H new ATOM 0 HG21 VAL A 75 106.131 -2.732 14.608 1.00 1.57 H new ATOM 0 HG22 VAL A 75 104.569 -3.532 14.312 1.00 1.57 H new ATOM 0 HG23 VAL A 75 105.975 -4.491 14.832 1.00 1.57 H new ATOM 1051 N SER A 76 105.006 -5.848 9.965 1.00 1.22 N ATOM 1052 CA SER A 76 105.429 -6.221 8.582 1.00 1.29 C ATOM 1053 C SER A 76 105.210 -5.045 7.632 1.00 1.19 C ATOM 1054 O SER A 76 104.160 -4.437 7.612 1.00 1.20 O ATOM 1055 CB SER A 76 104.605 -7.422 8.111 1.00 1.40 C ATOM 1056 OG SER A 76 105.031 -8.587 8.806 1.00 1.85 O ATOM 0 H SER A 76 104.002 -5.903 10.136 1.00 1.22 H new ATOM 0 HA SER A 76 106.488 -6.479 8.586 1.00 1.29 H new ATOM 0 HB2 SER A 76 103.545 -7.244 8.292 1.00 1.40 H new ATOM 0 HB3 SER A 76 104.726 -7.561 7.037 1.00 1.40 H new ATOM 0 HG SER A 76 104.504 -9.357 8.507 1.00 1.85 H new ATOM 1062 N TYR A 77 106.204 -4.726 6.839 1.00 1.21 N ATOM 1063 CA TYR A 77 106.084 -3.590 5.871 1.00 1.12 C ATOM 1064 C TYR A 77 106.474 -4.084 4.478 1.00 1.20 C ATOM 1065 O TYR A 77 107.458 -4.780 4.314 1.00 1.43 O ATOM 1066 CB TYR A 77 107.021 -2.459 6.302 1.00 1.07 C ATOM 1067 CG TYR A 77 108.448 -2.948 6.289 1.00 1.14 C ATOM 1068 CD1 TYR A 77 109.178 -2.946 5.095 1.00 1.18 C ATOM 1069 CD2 TYR A 77 109.043 -3.400 7.473 1.00 1.33 C ATOM 1070 CE1 TYR A 77 110.503 -3.397 5.084 1.00 1.28 C ATOM 1071 CE2 TYR A 77 110.368 -3.851 7.462 1.00 1.47 C ATOM 1072 CZ TYR A 77 111.098 -3.849 6.268 1.00 1.39 C ATOM 1073 OH TYR A 77 112.405 -4.293 6.257 1.00 1.54 O ATOM 0 H TYR A 77 107.102 -5.209 6.821 1.00 1.21 H new ATOM 0 HA TYR A 77 105.059 -3.219 5.853 1.00 1.12 H new ATOM 0 HB2 TYR A 77 106.912 -1.608 5.630 1.00 1.07 H new ATOM 0 HB3 TYR A 77 106.754 -2.113 7.301 1.00 1.07 H new ATOM 0 HD1 TYR A 77 108.719 -2.596 4.182 1.00 1.18 H new ATOM 0 HD2 TYR A 77 108.480 -3.401 8.395 1.00 1.33 H new ATOM 0 HE1 TYR A 77 111.066 -3.396 4.162 1.00 1.28 H new ATOM 0 HE2 TYR A 77 110.827 -4.201 8.375 1.00 1.47 H new ATOM 0 HH TYR A 77 112.786 -4.211 7.156 1.00 1.54 H new ATOM 1083 N VAL A 78 105.706 -3.739 3.470 1.00 1.13 N ATOM 1084 CA VAL A 78 106.028 -4.199 2.078 1.00 1.21 C ATOM 1085 C VAL A 78 106.622 -3.038 1.279 1.00 1.14 C ATOM 1086 O VAL A 78 105.966 -2.055 1.007 1.00 1.11 O ATOM 1087 CB VAL A 78 104.746 -4.705 1.398 1.00 1.29 C ATOM 1088 CG1 VAL A 78 103.808 -3.529 1.068 1.00 1.81 C ATOM 1089 CG2 VAL A 78 105.119 -5.446 0.110 1.00 1.90 C ATOM 0 H VAL A 78 104.871 -3.159 3.550 1.00 1.13 H new ATOM 0 HA VAL A 78 106.755 -5.010 2.119 1.00 1.21 H new ATOM 0 HB VAL A 78 104.226 -5.381 2.077 1.00 1.29 H new ATOM 0 HG11 VAL A 78 102.906 -3.907 0.587 1.00 1.81 H new ATOM 0 HG12 VAL A 78 103.539 -3.009 1.988 1.00 1.81 H new ATOM 0 HG13 VAL A 78 104.315 -2.837 0.395 1.00 1.81 H new ATOM 0 HG21 VAL A 78 104.213 -5.807 -0.377 1.00 1.90 H new ATOM 0 HG22 VAL A 78 105.646 -4.767 -0.561 1.00 1.90 H new ATOM 0 HG23 VAL A 78 105.764 -6.291 0.350 1.00 1.90 H new ATOM 1099 N VAL A 79 107.867 -3.143 0.902 1.00 1.17 N ATOM 1100 CA VAL A 79 108.508 -2.044 0.122 1.00 1.11 C ATOM 1101 C VAL A 79 108.267 -2.285 -1.371 1.00 1.15 C ATOM 1102 O VAL A 79 107.981 -3.388 -1.786 1.00 1.24 O ATOM 1103 CB VAL A 79 110.015 -2.030 0.419 1.00 1.14 C ATOM 1104 CG1 VAL A 79 110.283 -1.293 1.758 1.00 1.13 C ATOM 1105 CG2 VAL A 79 110.519 -3.481 0.505 1.00 1.27 C ATOM 0 H VAL A 79 108.469 -3.942 1.100 1.00 1.17 H new ATOM 0 HA VAL A 79 108.079 -1.082 0.403 1.00 1.11 H new ATOM 0 HB VAL A 79 110.543 -1.506 -0.378 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.354 -1.287 1.962 1.00 1.13 H new ATOM 0 HG12 VAL A 79 109.921 -0.267 1.687 1.00 1.13 H new ATOM 0 HG13 VAL A 79 109.762 -1.806 2.566 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.588 -3.483 0.716 1.00 1.27 H new ATOM 0 HG22 VAL A 79 109.991 -4.003 1.303 1.00 1.27 H new ATOM 0 HG23 VAL A 79 110.335 -3.987 -0.443 1.00 1.27 H new ATOM 1115 N GLN A 80 108.368 -1.261 -2.184 1.00 1.10 N ATOM 1116 CA GLN A 80 108.124 -1.437 -3.646 1.00 1.15 C ATOM 1117 C GLN A 80 109.445 -1.615 -4.399 1.00 1.17 C ATOM 1118 O GLN A 80 109.576 -2.512 -5.209 1.00 1.25 O ATOM 1119 CB GLN A 80 107.394 -0.200 -4.189 1.00 1.11 C ATOM 1120 CG GLN A 80 106.693 -0.546 -5.507 1.00 1.18 C ATOM 1121 CD GLN A 80 106.157 0.733 -6.151 1.00 1.80 C ATOM 1122 OE1 GLN A 80 106.020 1.747 -5.494 1.00 2.47 O ATOM 1123 NE2 GLN A 80 105.845 0.729 -7.418 1.00 2.48 N ATOM 0 H GLN A 80 108.609 -0.312 -1.896 1.00 1.10 H new ATOM 0 HA GLN A 80 107.515 -2.329 -3.794 1.00 1.15 H new ATOM 0 HB2 GLN A 80 106.664 0.152 -3.460 1.00 1.11 H new ATOM 0 HB3 GLN A 80 108.104 0.612 -4.347 1.00 1.11 H new ATOM 0 HG2 GLN A 80 107.390 -1.041 -6.183 1.00 1.18 H new ATOM 0 HG3 GLN A 80 105.876 -1.244 -5.324 1.00 1.18 H new ATOM 0 HE21 GLN A 80 105.960 -0.122 -7.969 1.00 2.48 H new ATOM 0 HE22 GLN A 80 105.486 1.577 -7.858 1.00 2.48 H new ATOM 1132 N GLU A 81 110.420 -0.759 -4.178 1.00 1.11 N ATOM 1133 CA GLU A 81 111.711 -0.896 -4.937 1.00 1.13 C ATOM 1134 C GLU A 81 112.925 -0.447 -4.086 1.00 1.07 C ATOM 1135 O GLU A 81 112.791 0.424 -3.249 1.00 0.98 O ATOM 1136 CB GLU A 81 111.644 -0.005 -6.188 1.00 1.11 C ATOM 1137 CG GLU A 81 110.650 -0.575 -7.208 1.00 1.43 C ATOM 1138 CD GLU A 81 111.122 -1.949 -7.691 1.00 1.37 C ATOM 1139 OE1 GLU A 81 112.278 -2.058 -8.067 1.00 1.65 O ATOM 1140 OE2 GLU A 81 110.320 -2.868 -7.676 1.00 1.92 O ATOM 0 H GLU A 81 110.381 0.016 -3.516 1.00 1.11 H new ATOM 0 HA GLU A 81 111.840 -1.946 -5.200 1.00 1.13 H new ATOM 0 HB2 GLU A 81 111.344 1.004 -5.906 1.00 1.11 H new ATOM 0 HB3 GLU A 81 112.633 0.071 -6.640 1.00 1.11 H new ATOM 0 HG2 GLU A 81 109.662 -0.659 -6.756 1.00 1.43 H new ATOM 0 HG3 GLU A 81 110.556 0.105 -8.055 1.00 1.43 H new ATOM 1147 N PRO A 82 114.092 -1.037 -4.346 1.00 1.14 N ATOM 1148 CA PRO A 82 115.344 -0.695 -3.647 1.00 1.14 C ATOM 1149 C PRO A 82 115.473 0.783 -3.334 1.00 1.00 C ATOM 1150 O PRO A 82 114.781 1.625 -3.871 1.00 0.91 O ATOM 1151 CB PRO A 82 116.438 -1.153 -4.614 1.00 1.23 C ATOM 1152 CG PRO A 82 115.811 -2.307 -5.411 1.00 1.30 C ATOM 1153 CD PRO A 82 114.284 -2.111 -5.347 1.00 1.26 C ATOM 0 HA PRO A 82 115.398 -1.176 -2.670 1.00 1.14 H new ATOM 0 HB2 PRO A 82 116.747 -0.341 -5.273 1.00 1.23 H new ATOM 0 HB3 PRO A 82 117.327 -1.483 -4.076 1.00 1.23 H new ATOM 0 HG2 PRO A 82 116.159 -2.298 -6.444 1.00 1.30 H new ATOM 0 HG3 PRO A 82 116.096 -3.270 -4.987 1.00 1.30 H new ATOM 0 HD2 PRO A 82 113.879 -1.826 -6.318 1.00 1.26 H new ATOM 0 HD3 PRO A 82 113.778 -3.029 -5.047 1.00 1.26 H new ATOM 1161 N GLY A 83 116.382 1.087 -2.455 1.00 0.99 N ATOM 1162 CA GLY A 83 116.618 2.505 -2.061 1.00 0.89 C ATOM 1163 C GLY A 83 116.989 2.569 -0.581 1.00 0.92 C ATOM 1164 O GLY A 83 116.963 1.580 0.124 1.00 1.02 O ATOM 0 H GLY A 83 116.980 0.407 -1.986 1.00 0.99 H new ATOM 0 HA2 GLY A 83 117.417 2.933 -2.666 1.00 0.89 H new ATOM 0 HA3 GLY A 83 115.724 3.099 -2.248 1.00 0.89 H new ATOM 1168 N ASP A 84 117.321 3.736 -0.105 1.00 0.87 N ATOM 1169 CA ASP A 84 117.683 3.900 1.331 1.00 0.93 C ATOM 1170 C ASP A 84 116.428 4.321 2.087 1.00 0.83 C ATOM 1171 O ASP A 84 116.192 5.489 2.320 1.00 0.76 O ATOM 1172 CB ASP A 84 118.760 4.983 1.475 1.00 0.98 C ATOM 1173 CG ASP A 84 119.827 4.795 0.394 1.00 1.39 C ATOM 1174 OD1 ASP A 84 119.722 3.839 -0.356 1.00 2.06 O ATOM 1175 OD2 ASP A 84 120.733 5.611 0.337 1.00 2.13 O ATOM 0 H ASP A 84 117.357 4.594 -0.656 1.00 0.87 H new ATOM 0 HA ASP A 84 118.074 2.965 1.732 1.00 0.93 H new ATOM 0 HB2 ASP A 84 118.310 5.972 1.387 1.00 0.98 H new ATOM 0 HB3 ASP A 84 119.216 4.927 2.463 1.00 0.98 H new ATOM 1180 N TYR A 85 115.621 3.377 2.468 1.00 0.84 N ATOM 1181 CA TYR A 85 114.380 3.711 3.201 1.00 0.76 C ATOM 1182 C TYR A 85 114.776 4.227 4.578 1.00 0.80 C ATOM 1183 O TYR A 85 115.630 3.666 5.231 1.00 0.92 O ATOM 1184 CB TYR A 85 113.525 2.436 3.316 1.00 0.80 C ATOM 1185 CG TYR A 85 112.435 2.428 2.272 1.00 0.73 C ATOM 1186 CD1 TYR A 85 111.194 3.005 2.554 1.00 0.64 C ATOM 1187 CD2 TYR A 85 112.669 1.836 1.027 1.00 0.78 C ATOM 1188 CE1 TYR A 85 110.184 2.992 1.589 1.00 0.61 C ATOM 1189 CE2 TYR A 85 111.660 1.821 0.061 1.00 0.75 C ATOM 1190 CZ TYR A 85 110.416 2.399 0.342 1.00 0.67 C ATOM 1191 OH TYR A 85 109.419 2.384 -0.608 1.00 0.68 O ATOM 0 H TYR A 85 115.771 2.382 2.301 1.00 0.84 H new ATOM 0 HA TYR A 85 113.799 4.475 2.684 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.157 1.556 3.195 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.083 2.377 4.311 1.00 0.80 H new ATOM 0 HD1 TYR A 85 111.016 3.460 3.517 1.00 0.64 H new ATOM 0 HD2 TYR A 85 113.629 1.391 0.812 1.00 0.78 H new ATOM 0 HE1 TYR A 85 109.225 3.439 1.805 1.00 0.61 H new ATOM 0 HE2 TYR A 85 111.839 1.364 -0.901 1.00 0.75 H new ATOM 0 HH TYR A 85 108.551 2.521 -0.174 1.00 0.68 H new ATOM 1201 N GLU A 86 114.169 5.296 5.015 1.00 0.73 N ATOM 1202 CA GLU A 86 114.510 5.877 6.354 1.00 0.78 C ATOM 1203 C GLU A 86 113.278 5.789 7.257 1.00 0.74 C ATOM 1204 O GLU A 86 112.229 6.317 6.943 1.00 0.68 O ATOM 1205 CB GLU A 86 114.944 7.355 6.178 1.00 0.78 C ATOM 1206 CG GLU A 86 114.362 7.926 4.870 1.00 0.72 C ATOM 1207 CD GLU A 86 115.266 7.573 3.684 1.00 0.85 C ATOM 1208 OE1 GLU A 86 116.474 7.569 3.860 1.00 1.53 O ATOM 1209 OE2 GLU A 86 114.733 7.317 2.617 1.00 1.26 O ATOM 0 H GLU A 86 113.445 5.799 4.501 1.00 0.73 H new ATOM 0 HA GLU A 86 115.331 5.323 6.808 1.00 0.78 H new ATOM 0 HB2 GLU A 86 114.600 7.946 7.027 1.00 0.78 H new ATOM 0 HB3 GLU A 86 116.032 7.423 6.161 1.00 0.78 H new ATOM 0 HG2 GLU A 86 113.362 7.526 4.705 1.00 0.72 H new ATOM 0 HG3 GLU A 86 114.263 9.009 4.951 1.00 0.72 H new ATOM 1216 N VAL A 87 113.399 5.112 8.373 1.00 0.81 N ATOM 1217 CA VAL A 87 112.243 4.961 9.311 1.00 0.78 C ATOM 1218 C VAL A 87 112.557 5.634 10.649 1.00 0.86 C ATOM 1219 O VAL A 87 113.686 5.630 11.115 1.00 0.99 O ATOM 1220 CB VAL A 87 111.985 3.472 9.537 1.00 0.84 C ATOM 1221 CG1 VAL A 87 113.152 2.854 10.308 1.00 1.00 C ATOM 1222 CG2 VAL A 87 110.692 3.293 10.335 1.00 0.83 C ATOM 0 H VAL A 87 114.258 4.653 8.677 1.00 0.81 H new ATOM 0 HA VAL A 87 111.361 5.434 8.880 1.00 0.78 H new ATOM 0 HB VAL A 87 111.890 2.974 8.572 1.00 0.84 H new ATOM 0 HG11 VAL A 87 112.962 1.792 10.466 1.00 1.00 H new ATOM 0 HG12 VAL A 87 114.072 2.977 9.736 1.00 1.00 H new ATOM 0 HG13 VAL A 87 113.255 3.352 11.272 1.00 1.00 H new ATOM 0 HG21 VAL A 87 110.508 2.231 10.496 1.00 0.83 H new ATOM 0 HG22 VAL A 87 110.786 3.795 11.298 1.00 0.83 H new ATOM 0 HG23 VAL A 87 109.859 3.725 9.780 1.00 0.83 H new ATOM 1232 N SER A 88 111.554 6.204 11.271 1.00 0.81 N ATOM 1233 CA SER A 88 111.749 6.882 12.589 1.00 0.91 C ATOM 1234 C SER A 88 110.600 6.494 13.513 1.00 0.87 C ATOM 1235 O SER A 88 109.469 6.882 13.301 1.00 0.84 O ATOM 1236 CB SER A 88 111.754 8.399 12.389 1.00 0.94 C ATOM 1237 OG SER A 88 110.414 8.874 12.379 1.00 1.59 O ATOM 0 H SER A 88 110.598 6.228 10.917 1.00 0.81 H new ATOM 0 HA SER A 88 112.699 6.576 13.027 1.00 0.91 H new ATOM 0 HB2 SER A 88 112.317 8.881 13.188 1.00 0.94 H new ATOM 0 HB3 SER A 88 112.249 8.653 11.452 1.00 0.94 H new ATOM 0 HG SER A 88 109.797 8.113 12.389 1.00 1.59 H new ATOM 1243 N ILE A 89 110.879 5.712 14.529 1.00 0.99 N ATOM 1244 CA ILE A 89 109.803 5.264 15.470 1.00 0.98 C ATOM 1245 C ILE A 89 110.066 5.795 16.883 1.00 1.08 C ATOM 1246 O ILE A 89 111.169 5.733 17.390 1.00 1.20 O ATOM 1247 CB ILE A 89 109.772 3.726 15.479 1.00 1.03 C ATOM 1248 CG1 ILE A 89 110.886 3.176 16.391 1.00 1.19 C ATOM 1249 CG2 ILE A 89 109.974 3.218 14.046 1.00 1.00 C ATOM 1250 CD1 ILE A 89 111.114 1.684 16.117 1.00 1.29 C ATOM 0 H ILE A 89 111.812 5.363 14.748 1.00 0.99 H new ATOM 0 HA ILE A 89 108.841 5.656 15.138 1.00 0.98 H new ATOM 0 HB ILE A 89 108.811 3.383 15.862 1.00 1.03 H new ATOM 0 HG12 ILE A 89 111.810 3.729 16.221 1.00 1.19 H new ATOM 0 HG13 ILE A 89 110.615 3.323 17.436 1.00 1.19 H new ATOM 0 HG21 ILE A 89 109.954 2.128 14.040 1.00 1.00 H new ATOM 0 HG22 ILE A 89 109.176 3.599 13.409 1.00 1.00 H new ATOM 0 HG23 ILE A 89 110.936 3.565 13.669 1.00 1.00 H new ATOM 0 HD11 ILE A 89 111.904 1.311 16.769 1.00 1.29 H new ATOM 0 HD12 ILE A 89 110.193 1.134 16.311 1.00 1.29 H new ATOM 0 HD13 ILE A 89 111.407 1.546 15.076 1.00 1.29 H new ATOM 1262 N LYS A 90 109.044 6.293 17.526 1.00 1.05 N ATOM 1263 CA LYS A 90 109.184 6.807 18.913 1.00 1.16 C ATOM 1264 C LYS A 90 108.001 6.304 19.719 1.00 1.11 C ATOM 1265 O LYS A 90 106.870 6.601 19.399 1.00 1.01 O ATOM 1266 CB LYS A 90 109.130 8.336 18.906 1.00 1.22 C ATOM 1267 CG LYS A 90 107.781 8.821 18.307 1.00 1.15 C ATOM 1268 CD LYS A 90 108.006 10.068 17.439 1.00 1.34 C ATOM 1269 CE LYS A 90 108.836 9.690 16.197 1.00 1.04 C ATOM 1270 NZ LYS A 90 110.242 10.149 16.386 1.00 1.58 N ATOM 0 H LYS A 90 108.103 6.365 17.139 1.00 1.05 H new ATOM 0 HA LYS A 90 110.131 6.472 19.337 1.00 1.16 H new ATOM 0 HB2 LYS A 90 109.243 8.716 19.921 1.00 1.22 H new ATOM 0 HB3 LYS A 90 109.960 8.734 18.322 1.00 1.22 H new ATOM 0 HG2 LYS A 90 107.334 8.027 17.708 1.00 1.15 H new ATOM 0 HG3 LYS A 90 107.079 9.049 19.109 1.00 1.15 H new ATOM 0 HD2 LYS A 90 107.048 10.489 17.134 1.00 1.34 H new ATOM 0 HD3 LYS A 90 108.523 10.836 18.015 1.00 1.34 H new ATOM 0 HE2 LYS A 90 108.811 8.611 16.043 1.00 1.04 H new ATOM 0 HE3 LYS A 90 108.408 10.149 15.306 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 110.560 10.654 15.534 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 110.292 10.787 17.206 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 110.857 9.326 16.550 1.00 1.58 H new ATOM 1284 N PHE A 91 108.223 5.578 20.777 1.00 1.21 N ATOM 1285 CA PHE A 91 107.050 5.118 21.575 1.00 1.18 C ATOM 1286 C PHE A 91 106.699 6.237 22.545 1.00 1.22 C ATOM 1287 O PHE A 91 107.357 6.450 23.541 1.00 1.34 O ATOM 1288 CB PHE A 91 107.365 3.814 22.314 1.00 1.29 C ATOM 1289 CG PHE A 91 106.203 3.449 23.216 1.00 1.24 C ATOM 1290 CD1 PHE A 91 104.955 3.156 22.654 1.00 1.19 C ATOM 1291 CD2 PHE A 91 106.371 3.401 24.610 1.00 1.32 C ATOM 1292 CE1 PHE A 91 103.876 2.815 23.477 1.00 1.22 C ATOM 1293 CE2 PHE A 91 105.287 3.059 25.435 1.00 1.29 C ATOM 1294 CZ PHE A 91 104.041 2.767 24.866 1.00 1.24 C ATOM 0 H PHE A 91 109.139 5.288 21.119 1.00 1.21 H new ATOM 0 HA PHE A 91 106.202 4.904 20.924 1.00 1.18 H new ATOM 0 HB2 PHE A 91 107.548 3.013 21.598 1.00 1.29 H new ATOM 0 HB3 PHE A 91 108.275 3.929 22.904 1.00 1.29 H new ATOM 0 HD1 PHE A 91 104.825 3.193 21.583 1.00 1.19 H new ATOM 0 HD2 PHE A 91 107.333 3.627 25.047 1.00 1.32 H new ATOM 0 HE1 PHE A 91 102.915 2.589 23.040 1.00 1.22 H new ATOM 0 HE2 PHE A 91 105.414 3.021 26.507 1.00 1.29 H new ATOM 0 HZ PHE A 91 103.207 2.505 25.500 1.00 1.24 H new ATOM 1304 N ASN A 92 105.684 6.983 22.222 1.00 1.15 N ATOM 1305 CA ASN A 92 105.281 8.125 23.078 1.00 1.23 C ATOM 1306 C ASN A 92 106.315 9.252 22.937 1.00 1.32 C ATOM 1307 O ASN A 92 106.584 9.967 23.878 1.00 1.42 O ATOM 1308 CB ASN A 92 105.187 7.676 24.550 1.00 1.32 C ATOM 1309 CG ASN A 92 104.190 8.564 25.302 1.00 1.74 C ATOM 1310 OD1 ASN A 92 103.069 8.740 24.869 1.00 2.32 O ATOM 1311 ND2 ASN A 92 104.555 9.133 26.418 1.00 2.24 N ATOM 0 H ASN A 92 105.110 6.847 21.390 1.00 1.15 H new ATOM 0 HA ASN A 92 104.303 8.487 22.762 1.00 1.23 H new ATOM 0 HB2 ASN A 92 104.871 6.634 24.602 1.00 1.32 H new ATOM 0 HB3 ASN A 92 106.168 7.736 25.021 1.00 1.32 H new ATOM 0 HD21 ASN A 92 103.899 9.726 26.927 1.00 2.24 H new ATOM 0 HD22 ASN A 92 105.496 8.985 26.782 1.00 2.24 H new ATOM 1318 N ASP A 93 106.885 9.415 21.761 1.00 1.28 N ATOM 1319 CA ASP A 93 107.893 10.499 21.537 1.00 1.37 C ATOM 1320 C ASP A 93 109.273 10.096 22.060 1.00 1.45 C ATOM 1321 O ASP A 93 110.152 10.930 22.164 1.00 1.53 O ATOM 1322 CB ASP A 93 107.458 11.808 22.210 1.00 1.46 C ATOM 1323 CG ASP A 93 105.939 11.966 22.107 1.00 1.46 C ATOM 1324 OD1 ASP A 93 105.398 11.631 21.066 1.00 1.83 O ATOM 1325 OD2 ASP A 93 105.344 12.419 23.071 1.00 1.92 O ATOM 0 H ASP A 93 106.691 8.837 20.943 1.00 1.28 H new ATOM 0 HA ASP A 93 107.956 10.655 20.460 1.00 1.37 H new ATOM 0 HB2 ASP A 93 107.762 11.808 23.257 1.00 1.46 H new ATOM 0 HB3 ASP A 93 107.954 12.654 21.734 1.00 1.46 H new ATOM 1330 N GLU A 94 109.503 8.834 22.352 1.00 1.43 N ATOM 1331 CA GLU A 94 110.866 8.427 22.819 1.00 1.53 C ATOM 1332 C GLU A 94 111.596 7.835 21.613 1.00 1.52 C ATOM 1333 O GLU A 94 111.381 6.701 21.229 1.00 1.48 O ATOM 1334 CB GLU A 94 110.756 7.412 23.964 1.00 1.56 C ATOM 1335 CG GLU A 94 110.182 6.084 23.458 1.00 1.95 C ATOM 1336 CD GLU A 94 109.486 5.346 24.602 1.00 1.88 C ATOM 1337 OE1 GLU A 94 108.805 5.993 25.380 1.00 2.25 O ATOM 1338 OE2 GLU A 94 109.645 4.142 24.672 1.00 2.24 O ATOM 0 H GLU A 94 108.817 8.082 22.288 1.00 1.43 H new ATOM 0 HA GLU A 94 111.421 9.281 23.208 1.00 1.53 H new ATOM 0 HB2 GLU A 94 111.739 7.245 24.404 1.00 1.56 H new ATOM 0 HB3 GLU A 94 110.118 7.813 24.752 1.00 1.56 H new ATOM 0 HG2 GLU A 94 109.475 6.269 22.650 1.00 1.95 H new ATOM 0 HG3 GLU A 94 110.981 5.466 23.048 1.00 1.95 H new ATOM 1345 N HIS A 95 112.423 8.627 20.982 1.00 1.59 N ATOM 1346 CA HIS A 95 113.145 8.156 19.766 1.00 1.59 C ATOM 1347 C HIS A 95 114.145 7.059 20.142 1.00 1.71 C ATOM 1348 O HIS A 95 115.244 7.325 20.588 1.00 1.86 O ATOM 1349 CB HIS A 95 113.870 9.363 19.119 1.00 1.65 C ATOM 1350 CG HIS A 95 113.767 9.336 17.606 1.00 1.94 C ATOM 1351 ND1 HIS A 95 112.781 8.911 16.740 1.00 2.24 N flip ATOM 1352 CD2 HIS A 95 114.778 9.838 16.798 1.00 2.62 C flip ATOM 1353 CE1 HIS A 95 113.175 9.148 15.428 1.00 2.68 C flip ATOM 1354 NE2 HIS A 95 114.381 9.707 15.519 1.00 2.88 N flip ATOM 0 H HIS A 95 112.630 9.586 21.260 1.00 1.59 H new ATOM 0 HA HIS A 95 112.438 7.736 19.051 1.00 1.59 H new ATOM 0 HB2 HIS A 95 113.440 10.291 19.496 1.00 1.65 H new ATOM 0 HB3 HIS A 95 114.920 9.356 19.412 1.00 1.65 H new ATOM 0 HD2 HIS A 95 115.714 10.258 17.135 1.00 2.62 H new ATOM 0 HE1 HIS A 95 112.622 8.926 14.527 1.00 2.68 H new ATOM 0 HE2 HIS A 95 114.937 10.000 14.716 1.00 2.88 H new ATOM 1362 N ILE A 96 113.767 5.828 19.949 1.00 1.67 N ATOM 1363 CA ILE A 96 114.681 4.698 20.273 1.00 1.82 C ATOM 1364 C ILE A 96 116.010 4.939 19.504 1.00 1.88 C ATOM 1365 O ILE A 96 115.961 5.338 18.357 1.00 1.77 O ATOM 1366 CB ILE A 96 113.964 3.391 19.830 1.00 1.82 C ATOM 1367 CG1 ILE A 96 114.436 2.163 20.652 1.00 1.98 C ATOM 1368 CG2 ILE A 96 114.148 3.133 18.324 1.00 2.35 C ATOM 1369 CD1 ILE A 96 115.743 1.575 20.098 1.00 2.27 C ATOM 0 H ILE A 96 112.857 5.553 19.578 1.00 1.67 H new ATOM 0 HA ILE A 96 114.915 4.620 21.335 1.00 1.82 H new ATOM 0 HB ILE A 96 112.901 3.534 20.027 1.00 1.82 H new ATOM 0 HG12 ILE A 96 114.581 2.455 21.692 1.00 1.98 H new ATOM 0 HG13 ILE A 96 113.660 1.398 20.641 1.00 1.98 H new ATOM 0 HG21 ILE A 96 113.635 2.212 18.047 1.00 2.35 H new ATOM 0 HG22 ILE A 96 113.730 3.966 17.758 1.00 2.35 H new ATOM 0 HG23 ILE A 96 115.210 3.038 18.098 1.00 2.35 H new ATOM 0 HD11 ILE A 96 116.040 0.717 20.701 1.00 2.27 H new ATOM 0 HD12 ILE A 96 115.591 1.258 19.066 1.00 2.27 H new ATOM 0 HD13 ILE A 96 116.526 2.332 20.133 1.00 2.27 H new ATOM 1381 N PRO A 97 117.161 4.722 20.130 1.00 2.08 N ATOM 1382 CA PRO A 97 118.455 4.959 19.458 1.00 2.18 C ATOM 1383 C PRO A 97 118.424 4.514 17.987 1.00 2.06 C ATOM 1384 O PRO A 97 118.884 5.229 17.119 1.00 2.32 O ATOM 1385 CB PRO A 97 119.475 4.167 20.297 1.00 2.43 C ATOM 1386 CG PRO A 97 118.795 3.871 21.665 1.00 2.48 C ATOM 1387 CD PRO A 97 117.294 4.225 21.520 1.00 2.25 C ATOM 0 HA PRO A 97 118.712 6.017 19.411 1.00 2.18 H new ATOM 0 HB2 PRO A 97 119.753 3.241 19.795 1.00 2.43 H new ATOM 0 HB3 PRO A 97 120.391 4.741 20.436 1.00 2.43 H new ATOM 0 HG2 PRO A 97 118.918 2.822 21.936 1.00 2.48 H new ATOM 0 HG3 PRO A 97 119.254 4.461 22.458 1.00 2.48 H new ATOM 0 HD2 PRO A 97 116.663 3.353 21.692 1.00 2.25 H new ATOM 0 HD3 PRO A 97 116.994 4.984 22.243 1.00 2.25 H new ATOM 1395 N ASP A 98 117.885 3.359 17.687 1.00 2.10 N ATOM 1396 CA ASP A 98 117.834 2.919 16.256 1.00 1.98 C ATOM 1397 C ASP A 98 117.325 4.066 15.399 1.00 1.76 C ATOM 1398 O ASP A 98 118.031 4.586 14.558 1.00 1.73 O ATOM 1399 CB ASP A 98 116.897 1.713 16.100 1.00 1.95 C ATOM 1400 CG ASP A 98 117.137 0.722 17.241 1.00 2.28 C ATOM 1401 OD1 ASP A 98 118.112 0.894 17.954 1.00 2.64 O ATOM 1402 OD2 ASP A 98 116.342 -0.193 17.381 1.00 2.65 O ATOM 0 H ASP A 98 117.482 2.707 18.361 1.00 2.10 H new ATOM 0 HA ASP A 98 118.836 2.630 15.938 1.00 1.98 H new ATOM 0 HB2 ASP A 98 115.859 2.044 16.106 1.00 1.95 H new ATOM 0 HB3 ASP A 98 117.071 1.227 15.140 1.00 1.95 H new ATOM 1407 N SER A 99 116.102 4.455 15.585 1.00 1.67 N ATOM 1408 CA SER A 99 115.549 5.554 14.758 1.00 1.48 C ATOM 1409 C SER A 99 116.436 6.806 14.919 1.00 1.62 C ATOM 1410 O SER A 99 116.834 7.106 16.027 1.00 1.87 O ATOM 1411 CB SER A 99 114.128 5.866 15.239 1.00 1.48 C ATOM 1412 OG SER A 99 113.219 4.953 14.638 1.00 2.00 O ATOM 0 H SER A 99 115.461 4.060 16.273 1.00 1.67 H new ATOM 0 HA SER A 99 115.527 5.260 13.709 1.00 1.48 H new ATOM 0 HB2 SER A 99 114.074 5.789 16.325 1.00 1.48 H new ATOM 0 HB3 SER A 99 113.860 6.890 14.978 1.00 1.48 H new ATOM 0 HG SER A 99 113.548 4.038 14.757 1.00 2.00 H new ATOM 1418 N PRO A 100 116.712 7.538 13.846 1.00 1.55 N ATOM 1419 CA PRO A 100 116.271 7.253 12.452 1.00 1.33 C ATOM 1420 C PRO A 100 117.312 6.338 11.771 1.00 1.33 C ATOM 1421 O PRO A 100 118.432 6.760 11.565 1.00 1.47 O ATOM 1422 CB PRO A 100 116.299 8.645 11.781 1.00 1.43 C ATOM 1423 CG PRO A 100 117.207 9.554 12.662 1.00 1.74 C ATOM 1424 CD PRO A 100 117.495 8.780 13.969 1.00 1.79 C ATOM 0 HA PRO A 100 115.300 6.762 12.392 1.00 1.33 H new ATOM 0 HB2 PRO A 100 116.690 8.577 10.766 1.00 1.43 H new ATOM 0 HB3 PRO A 100 115.293 9.059 11.708 1.00 1.43 H new ATOM 0 HG2 PRO A 100 118.135 9.791 12.142 1.00 1.74 H new ATOM 0 HG3 PRO A 100 116.712 10.501 12.876 1.00 1.74 H new ATOM 0 HD2 PRO A 100 118.559 8.569 14.078 1.00 1.79 H new ATOM 0 HD3 PRO A 100 117.192 9.354 14.845 1.00 1.79 H new ATOM 1432 N PHE A 101 116.976 5.110 11.401 1.00 1.25 N ATOM 1433 CA PHE A 101 118.006 4.232 10.715 1.00 1.36 C ATOM 1434 C PHE A 101 117.583 3.942 9.279 1.00 1.24 C ATOM 1435 O PHE A 101 116.447 4.143 8.895 1.00 1.16 O ATOM 1436 CB PHE A 101 118.232 2.915 11.473 1.00 1.55 C ATOM 1437 CG PHE A 101 116.964 2.106 11.595 1.00 1.46 C ATOM 1438 CD1 PHE A 101 116.115 2.329 12.671 1.00 1.50 C ATOM 1439 CD2 PHE A 101 116.667 1.102 10.667 1.00 1.78 C ATOM 1440 CE1 PHE A 101 114.966 1.566 12.837 1.00 1.83 C ATOM 1441 CE2 PHE A 101 115.505 0.333 10.823 1.00 2.18 C ATOM 1442 CZ PHE A 101 114.654 0.565 11.913 1.00 2.19 C ATOM 0 H PHE A 101 116.059 4.686 11.539 1.00 1.25 H new ATOM 0 HA PHE A 101 118.949 4.778 10.711 1.00 1.36 H new ATOM 0 HB2 PHE A 101 118.990 2.325 10.957 1.00 1.55 H new ATOM 0 HB3 PHE A 101 118.620 3.132 12.468 1.00 1.55 H new ATOM 0 HD1 PHE A 101 116.350 3.103 13.386 1.00 1.50 H new ATOM 0 HD2 PHE A 101 117.330 0.920 9.834 1.00 1.78 H new ATOM 0 HE1 PHE A 101 114.314 1.746 13.679 1.00 1.83 H new ATOM 0 HE2 PHE A 101 115.266 -0.437 10.105 1.00 2.18 H new ATOM 0 HZ PHE A 101 113.760 -0.028 12.038 1.00 2.19 H new ATOM 1452 N VAL A 102 118.513 3.499 8.473 1.00 1.28 N ATOM 1453 CA VAL A 102 118.212 3.220 7.040 1.00 1.21 C ATOM 1454 C VAL A 102 117.795 1.761 6.848 1.00 1.23 C ATOM 1455 O VAL A 102 118.201 0.879 7.579 1.00 1.34 O ATOM 1456 CB VAL A 102 119.467 3.507 6.208 1.00 1.31 C ATOM 1457 CG1 VAL A 102 120.625 2.636 6.702 1.00 1.44 C ATOM 1458 CG2 VAL A 102 119.194 3.201 4.733 1.00 1.29 C ATOM 0 H VAL A 102 119.477 3.317 8.751 1.00 1.28 H new ATOM 0 HA VAL A 102 117.389 3.858 6.718 1.00 1.21 H new ATOM 0 HB VAL A 102 119.732 4.559 6.316 1.00 1.31 H new ATOM 0 HG11 VAL A 102 121.515 2.843 6.108 1.00 1.44 H new ATOM 0 HG12 VAL A 102 120.828 2.860 7.749 1.00 1.44 H new ATOM 0 HG13 VAL A 102 120.358 1.584 6.601 1.00 1.44 H new ATOM 0 HG21 VAL A 102 120.090 3.407 4.147 1.00 1.29 H new ATOM 0 HG22 VAL A 102 118.922 2.151 4.623 1.00 1.29 H new ATOM 0 HG23 VAL A 102 118.376 3.827 4.377 1.00 1.29 H new ATOM 1468 N VAL A 103 116.993 1.512 5.845 1.00 1.15 N ATOM 1469 CA VAL A 103 116.528 0.125 5.540 1.00 1.19 C ATOM 1470 C VAL A 103 116.814 -0.148 4.046 1.00 1.19 C ATOM 1471 O VAL A 103 115.969 0.105 3.211 1.00 1.10 O ATOM 1472 CB VAL A 103 115.020 0.041 5.805 1.00 1.11 C ATOM 1473 CG1 VAL A 103 114.462 -1.282 5.261 1.00 1.18 C ATOM 1474 CG2 VAL A 103 114.776 0.115 7.315 1.00 1.14 C ATOM 0 H VAL A 103 116.634 2.226 5.212 1.00 1.15 H new ATOM 0 HA VAL A 103 117.041 -0.609 6.161 1.00 1.19 H new ATOM 0 HB VAL A 103 114.517 0.869 5.304 1.00 1.11 H new ATOM 0 HG11 VAL A 103 113.390 -1.332 5.454 1.00 1.18 H new ATOM 0 HG12 VAL A 103 114.640 -1.338 4.187 1.00 1.18 H new ATOM 0 HG13 VAL A 103 114.959 -2.117 5.755 1.00 1.18 H new ATOM 0 HG21 VAL A 103 113.706 0.056 7.514 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.283 -0.715 7.807 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.165 1.057 7.701 1.00 1.14 H new ATOM 1484 N PRO A 104 118.014 -0.604 3.734 1.00 1.29 N ATOM 1485 CA PRO A 104 118.410 -0.848 2.330 1.00 1.30 C ATOM 1486 C PRO A 104 117.609 -1.998 1.691 1.00 1.33 C ATOM 1487 O PRO A 104 117.796 -3.157 2.008 1.00 1.44 O ATOM 1488 CB PRO A 104 119.920 -1.191 2.398 1.00 1.42 C ATOM 1489 CG PRO A 104 120.338 -1.174 3.898 1.00 1.49 C ATOM 1490 CD PRO A 104 119.066 -0.904 4.730 1.00 1.41 C ATOM 0 HA PRO A 104 118.208 0.021 1.704 1.00 1.30 H new ATOM 0 HB2 PRO A 104 120.111 -2.170 1.958 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.503 -0.467 1.829 1.00 1.42 H new ATOM 0 HG2 PRO A 104 120.787 -2.126 4.182 1.00 1.49 H new ATOM 0 HG3 PRO A 104 121.086 -0.402 4.079 1.00 1.49 H new ATOM 0 HD2 PRO A 104 118.800 -1.770 5.337 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.212 -0.068 5.414 1.00 1.41 H new ATOM 1498 N VAL A 105 116.750 -1.678 0.756 1.00 1.25 N ATOM 1499 CA VAL A 105 115.969 -2.730 0.040 1.00 1.29 C ATOM 1500 C VAL A 105 116.752 -3.057 -1.245 1.00 1.35 C ATOM 1501 O VAL A 105 117.370 -2.178 -1.825 1.00 1.31 O ATOM 1502 CB VAL A 105 114.568 -2.178 -0.262 1.00 1.19 C ATOM 1503 CG1 VAL A 105 113.801 -3.099 -1.220 1.00 1.26 C ATOM 1504 CG2 VAL A 105 113.792 -2.067 1.049 1.00 1.15 C ATOM 0 H VAL A 105 116.555 -0.723 0.456 1.00 1.25 H new ATOM 0 HA VAL A 105 115.842 -3.639 0.628 1.00 1.29 H new ATOM 0 HB VAL A 105 114.673 -1.202 -0.736 1.00 1.19 H new ATOM 0 HG11 VAL A 105 112.813 -2.681 -1.414 1.00 1.26 H new ATOM 0 HG12 VAL A 105 114.349 -3.186 -2.158 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.695 -4.086 -0.769 1.00 1.26 H new ATOM 0 HG21 VAL A 105 112.794 -1.676 0.849 1.00 1.15 H new ATOM 0 HG22 VAL A 105 113.710 -3.052 1.508 1.00 1.15 H new ATOM 0 HG23 VAL A 105 114.317 -1.393 1.727 1.00 1.15 H new ATOM 1514 N ALA A 106 116.790 -4.313 -1.660 1.00 1.46 N ATOM 1515 CA ALA A 106 117.608 -4.698 -2.872 1.00 1.53 C ATOM 1516 C ALA A 106 116.796 -5.528 -3.896 1.00 1.59 C ATOM 1517 O ALA A 106 116.140 -6.487 -3.570 1.00 1.66 O ATOM 1518 CB ALA A 106 118.808 -5.528 -2.369 1.00 1.67 C ATOM 0 H ALA A 106 116.293 -5.084 -1.214 1.00 1.46 H new ATOM 0 HA ALA A 106 117.926 -3.792 -3.387 1.00 1.53 H new ATOM 0 HB1 ALA A 106 119.425 -5.826 -3.217 1.00 1.67 H new ATOM 0 HB2 ALA A 106 119.403 -4.928 -1.681 1.00 1.67 H new ATOM 0 HB3 ALA A 106 118.445 -6.417 -1.854 1.00 1.67 H new ATOM 1524 N SER A 107 116.871 -5.163 -5.146 1.00 1.59 N ATOM 1525 CA SER A 107 116.154 -5.915 -6.215 1.00 1.67 C ATOM 1526 C SER A 107 117.138 -6.918 -6.793 1.00 1.81 C ATOM 1527 O SER A 107 117.770 -6.672 -7.799 1.00 1.83 O ATOM 1528 CB SER A 107 115.721 -4.961 -7.329 1.00 1.60 C ATOM 1529 OG SER A 107 114.645 -4.159 -6.878 1.00 2.04 O ATOM 0 H SER A 107 117.408 -4.362 -5.478 1.00 1.59 H new ATOM 0 HA SER A 107 115.270 -6.404 -5.805 1.00 1.67 H new ATOM 0 HB2 SER A 107 116.558 -4.330 -7.626 1.00 1.60 H new ATOM 0 HB3 SER A 107 115.421 -5.528 -8.210 1.00 1.60 H new ATOM 0 HG SER A 107 113.961 -4.105 -7.578 1.00 2.04 H new ATOM 1535 N LEU A 108 117.303 -8.022 -6.135 1.00 1.98 N ATOM 1536 CA LEU A 108 118.287 -9.038 -6.605 1.00 2.16 C ATOM 1537 C LEU A 108 119.677 -8.400 -6.557 1.00 2.13 C ATOM 1538 O LEU A 108 120.672 -9.012 -6.887 1.00 2.33 O ATOM 1539 CB LEU A 108 117.962 -9.492 -8.036 1.00 2.25 C ATOM 1540 CG LEU A 108 116.463 -9.787 -8.161 1.00 2.76 C ATOM 1541 CD1 LEU A 108 116.143 -10.185 -9.604 1.00 3.20 C ATOM 1542 CD2 LEU A 108 116.086 -10.936 -7.220 1.00 3.20 C ATOM 0 H LEU A 108 116.798 -8.271 -5.285 1.00 1.98 H new ATOM 0 HA LEU A 108 118.247 -9.918 -5.964 1.00 2.16 H new ATOM 0 HB2 LEU A 108 118.250 -8.717 -8.747 1.00 2.25 H new ATOM 0 HB3 LEU A 108 118.539 -10.383 -8.284 1.00 2.25 H new ATOM 0 HG LEU A 108 115.894 -8.897 -7.892 1.00 2.76 H new ATOM 0 HD11 LEU A 108 115.077 -10.395 -9.696 1.00 3.20 H new ATOM 0 HD12 LEU A 108 116.411 -9.368 -10.275 1.00 3.20 H new ATOM 0 HD13 LEU A 108 116.713 -11.075 -9.871 1.00 3.20 H new ATOM 0 HD21 LEU A 108 115.020 -11.145 -7.310 1.00 3.20 H new ATOM 0 HD22 LEU A 108 116.654 -11.827 -7.488 1.00 3.20 H new ATOM 0 HD23 LEU A 108 116.315 -10.655 -6.192 1.00 3.20 H new ATOM 1554 N SER A 109 119.741 -7.166 -6.119 1.00 1.93 N ATOM 1555 CA SER A 109 121.046 -6.460 -6.008 1.00 1.92 C ATOM 1556 C SER A 109 121.645 -6.765 -4.641 1.00 2.00 C ATOM 1557 O SER A 109 122.836 -6.646 -4.432 1.00 2.09 O ATOM 1558 CB SER A 109 120.830 -4.958 -6.169 1.00 1.77 C ATOM 1559 OG SER A 109 120.201 -4.439 -5.008 1.00 2.06 O ATOM 0 H SER A 109 118.932 -6.615 -5.831 1.00 1.93 H new ATOM 0 HA SER A 109 121.727 -6.797 -6.789 1.00 1.92 H new ATOM 0 HB2 SER A 109 121.785 -4.459 -6.331 1.00 1.77 H new ATOM 0 HB3 SER A 109 120.214 -4.761 -7.047 1.00 1.77 H new ATOM 0 HG SER A 109 120.065 -3.474 -5.113 1.00 2.06 H new ATOM 1565 N ASP A 110 120.826 -7.160 -3.702 1.00 1.99 N ATOM 1566 CA ASP A 110 121.351 -7.473 -2.344 1.00 2.10 C ATOM 1567 C ASP A 110 122.180 -6.289 -1.861 1.00 2.06 C ATOM 1568 O ASP A 110 122.896 -6.368 -0.883 1.00 2.19 O ATOM 1569 CB ASP A 110 122.233 -8.723 -2.411 1.00 2.32 C ATOM 1570 CG ASP A 110 122.567 -9.189 -0.993 1.00 2.37 C ATOM 1571 OD1 ASP A 110 121.759 -8.957 -0.109 1.00 2.85 O ATOM 1572 OD2 ASP A 110 123.624 -9.771 -0.816 1.00 2.61 O ATOM 0 H ASP A 110 119.820 -7.279 -3.818 1.00 1.99 H new ATOM 0 HA ASP A 110 120.525 -7.657 -1.657 1.00 2.10 H new ATOM 0 HB2 ASP A 110 121.718 -9.516 -2.954 1.00 2.32 H new ATOM 0 HB3 ASP A 110 123.150 -8.505 -2.959 1.00 2.32 H new ATOM 1836 N ARG B 8 112.955 11.646 -2.183 1.00 0.48 N ATOM 1837 CA ARG B 8 112.247 10.390 -2.575 1.00 0.50 C ATOM 1838 C ARG B 8 110.792 10.485 -2.129 1.00 0.48 C ATOM 1839 O ARG B 8 110.424 11.353 -1.363 1.00 0.96 O ATOM 1840 CB ARG B 8 112.916 9.191 -1.887 1.00 0.67 C ATOM 1841 CG ARG B 8 114.432 9.385 -1.903 1.00 0.80 C ATOM 1842 CD ARG B 8 115.135 8.057 -1.631 1.00 1.18 C ATOM 1843 NE ARG B 8 116.607 8.283 -1.578 1.00 1.76 N ATOM 1844 CZ ARG B 8 117.384 7.382 -1.050 1.00 2.26 C ATOM 1845 NH1 ARG B 8 116.869 6.293 -0.553 1.00 3.04 N ATOM 1846 NH2 ARG B 8 118.674 7.571 -1.012 1.00 2.64 N ATOM 0 HA ARG B 8 112.295 10.258 -3.656 1.00 0.50 H new ATOM 0 HB2 ARG B 8 112.560 9.100 -0.861 1.00 0.67 H new ATOM 0 HB3 ARG B 8 112.650 8.267 -2.400 1.00 0.67 H new ATOM 0 HG2 ARG B 8 114.746 9.780 -2.869 1.00 0.80 H new ATOM 0 HG3 ARG B 8 114.720 10.119 -1.150 1.00 0.80 H new ATOM 0 HD2 ARG B 8 114.786 7.633 -0.689 1.00 1.18 H new ATOM 0 HD3 ARG B 8 114.894 7.337 -2.413 1.00 1.18 H new ATOM 0 HE ARG B 8 117.005 9.143 -1.955 1.00 1.76 H new ATOM 0 HH11 ARG B 8 115.860 6.148 -0.578 1.00 3.04 H new ATOM 0 HH12 ARG B 8 117.475 5.585 -0.139 1.00 3.04 H new ATOM 0 HH21 ARG B 8 119.076 8.426 -1.396 1.00 2.64 H new ATOM 0 HH22 ARG B 8 119.281 6.864 -0.598 1.00 2.64 H new ATOM 1860 N VAL B 9 109.960 9.594 -2.586 1.00 0.42 N ATOM 1861 CA VAL B 9 108.536 9.636 -2.166 1.00 0.36 C ATOM 1862 C VAL B 9 108.494 9.715 -0.634 1.00 0.28 C ATOM 1863 O VAL B 9 109.457 9.391 0.032 1.00 0.38 O ATOM 1864 CB VAL B 9 107.834 8.368 -2.671 1.00 0.45 C ATOM 1865 CG1 VAL B 9 106.527 8.134 -1.902 1.00 0.67 C ATOM 1866 CG2 VAL B 9 107.520 8.521 -4.162 1.00 0.66 C ATOM 0 H VAL B 9 110.204 8.841 -3.230 1.00 0.42 H new ATOM 0 HA VAL B 9 108.024 10.503 -2.583 1.00 0.36 H new ATOM 0 HB VAL B 9 108.495 7.516 -2.513 1.00 0.45 H new ATOM 0 HG11 VAL B 9 106.043 7.231 -2.274 1.00 0.67 H new ATOM 0 HG12 VAL B 9 106.745 8.018 -0.840 1.00 0.67 H new ATOM 0 HG13 VAL B 9 105.863 8.986 -2.045 1.00 0.67 H new ATOM 0 HG21 VAL B 9 107.021 7.621 -4.523 1.00 0.66 H new ATOM 0 HG22 VAL B 9 106.868 9.382 -4.310 1.00 0.66 H new ATOM 0 HG23 VAL B 9 108.447 8.669 -4.716 1.00 0.66 H new ATOM 1876 N ALA B 10 107.398 10.161 -0.075 1.00 0.27 N ATOM 1877 CA ALA B 10 107.295 10.287 1.417 1.00 0.35 C ATOM 1878 C ALA B 10 106.111 9.471 1.932 1.00 0.26 C ATOM 1879 O ALA B 10 105.081 9.380 1.294 1.00 0.40 O ATOM 1880 CB ALA B 10 107.085 11.758 1.782 1.00 0.58 C ATOM 0 H ALA B 10 106.564 10.446 -0.588 1.00 0.27 H new ATOM 0 HA ALA B 10 108.213 9.914 1.872 1.00 0.35 H new ATOM 0 HB1 ALA B 10 107.009 11.857 2.865 1.00 0.58 H new ATOM 0 HB2 ALA B 10 107.929 12.346 1.422 1.00 0.58 H new ATOM 0 HB3 ALA B 10 106.167 12.120 1.319 1.00 0.58 H new ATOM 1886 N SER B 11 106.254 8.880 3.092 1.00 0.23 N ATOM 1887 CA SER B 11 105.142 8.065 3.676 1.00 0.22 C ATOM 1888 C SER B 11 105.019 8.376 5.168 1.00 0.23 C ATOM 1889 O SER B 11 105.999 8.624 5.843 1.00 0.30 O ATOM 1890 CB SER B 11 105.447 6.579 3.491 1.00 0.36 C ATOM 1891 OG SER B 11 104.684 5.823 4.423 1.00 1.19 O ATOM 0 H SER B 11 107.098 8.927 3.663 1.00 0.23 H new ATOM 0 HA SER B 11 104.207 8.309 3.172 1.00 0.22 H new ATOM 0 HB2 SER B 11 105.208 6.271 2.473 1.00 0.36 H new ATOM 0 HB3 SER B 11 106.511 6.393 3.639 1.00 0.36 H new ATOM 0 HG SER B 11 104.876 4.869 4.306 1.00 1.19 H new ATOM 1897 N SER B 12 103.820 8.369 5.689 1.00 0.27 N ATOM 1898 CA SER B 12 103.631 8.669 7.139 1.00 0.35 C ATOM 1899 C SER B 12 102.425 7.893 7.675 1.00 0.31 C ATOM 1900 O SER B 12 101.300 8.116 7.275 1.00 0.41 O ATOM 1901 CB SER B 12 103.387 10.168 7.317 1.00 0.52 C ATOM 1902 OG SER B 12 104.429 10.892 6.676 1.00 1.38 O ATOM 0 H SER B 12 102.963 8.168 5.173 1.00 0.27 H new ATOM 0 HA SER B 12 104.524 8.372 7.689 1.00 0.35 H new ATOM 0 HB2 SER B 12 102.422 10.444 6.892 1.00 0.52 H new ATOM 0 HB3 SER B 12 103.352 10.419 8.377 1.00 0.52 H new ATOM 0 HG SER B 12 104.275 11.854 6.787 1.00 1.38 H new ATOM 1908 N VAL B 13 102.657 6.986 8.584 1.00 0.27 N ATOM 1909 CA VAL B 13 101.538 6.193 9.163 1.00 0.27 C ATOM 1910 C VAL B 13 101.976 5.647 10.520 1.00 0.32 C ATOM 1911 O VAL B 13 103.150 5.681 10.862 1.00 0.41 O ATOM 1912 CB VAL B 13 101.189 5.036 8.224 1.00 0.32 C ATOM 1913 CG1 VAL B 13 102.459 4.263 7.864 1.00 0.42 C ATOM 1914 CG2 VAL B 13 100.192 4.091 8.904 1.00 0.41 C ATOM 0 H VAL B 13 103.581 6.759 8.952 1.00 0.27 H new ATOM 0 HA VAL B 13 100.658 6.824 9.287 1.00 0.27 H new ATOM 0 HB VAL B 13 100.739 5.440 7.317 1.00 0.32 H new ATOM 0 HG11 VAL B 13 102.207 3.440 7.195 1.00 0.42 H new ATOM 0 HG12 VAL B 13 103.163 4.931 7.368 1.00 0.42 H new ATOM 0 HG13 VAL B 13 102.913 3.867 8.772 1.00 0.42 H new ATOM 0 HG21 VAL B 13 99.949 3.271 8.228 1.00 0.41 H new ATOM 0 HG22 VAL B 13 100.634 3.691 9.816 1.00 0.41 H new ATOM 0 HG23 VAL B 13 99.282 4.638 9.151 1.00 0.41 H new ATOM 1924 N PHE B 14 101.051 5.149 11.302 1.00 0.36 N ATOM 1925 CA PHE B 14 101.440 4.611 12.635 1.00 0.45 C ATOM 1926 C PHE B 14 100.252 4.010 13.391 1.00 0.34 C ATOM 1927 O PHE B 14 99.189 3.784 12.847 1.00 0.35 O ATOM 1928 CB PHE B 14 102.023 5.727 13.491 1.00 0.59 C ATOM 1929 CG PHE B 14 100.958 6.736 13.874 1.00 0.71 C ATOM 1930 CD1 PHE B 14 100.368 7.543 12.894 1.00 0.70 C ATOM 1931 CD2 PHE B 14 100.574 6.874 15.215 1.00 1.40 C ATOM 1932 CE1 PHE B 14 99.395 8.482 13.253 1.00 1.03 C ATOM 1933 CE2 PHE B 14 99.603 7.813 15.574 1.00 1.79 C ATOM 1934 CZ PHE B 14 99.012 8.618 14.593 1.00 1.54 C ATOM 0 H PHE B 14 100.058 5.093 11.077 1.00 0.36 H new ATOM 0 HA PHE B 14 102.173 3.825 12.455 1.00 0.45 H new ATOM 0 HB2 PHE B 14 102.468 5.304 14.392 1.00 0.59 H new ATOM 0 HB3 PHE B 14 102.823 6.228 12.945 1.00 0.59 H new ATOM 0 HD1 PHE B 14 100.664 7.441 11.860 1.00 0.70 H new ATOM 0 HD2 PHE B 14 101.029 6.253 15.972 1.00 1.40 H new ATOM 0 HE1 PHE B 14 98.939 9.103 12.496 1.00 1.03 H new ATOM 0 HE2 PHE B 14 99.309 7.917 16.608 1.00 1.79 H new ATOM 0 HZ PHE B 14 98.261 9.343 14.869 1.00 1.54 H new ATOM 1944 N ILE B 15 100.453 3.758 14.666 1.00 0.34 N ATOM 1945 CA ILE B 15 99.384 3.177 15.523 1.00 0.33 C ATOM 1946 C ILE B 15 99.538 3.744 16.944 1.00 0.31 C ATOM 1947 O ILE B 15 100.531 4.370 17.263 1.00 0.58 O ATOM 1948 CB ILE B 15 99.546 1.653 15.554 1.00 0.51 C ATOM 1949 CG1 ILE B 15 101.036 1.304 15.570 1.00 0.62 C ATOM 1950 CG2 ILE B 15 98.895 1.033 14.314 1.00 0.83 C ATOM 1951 CD1 ILE B 15 101.210 -0.172 15.933 1.00 1.25 C ATOM 0 H ILE B 15 101.332 3.937 15.151 1.00 0.34 H new ATOM 0 HA ILE B 15 98.399 3.428 15.130 1.00 0.33 H new ATOM 0 HB ILE B 15 99.063 1.259 16.448 1.00 0.51 H new ATOM 0 HG12 ILE B 15 101.478 1.504 14.594 1.00 0.62 H new ATOM 0 HG13 ILE B 15 101.560 1.931 16.291 1.00 0.62 H new ATOM 0 HG21 ILE B 15 99.014 -0.050 14.343 1.00 0.83 H new ATOM 0 HG22 ILE B 15 97.834 1.281 14.298 1.00 0.83 H new ATOM 0 HG23 ILE B 15 99.373 1.426 13.417 1.00 0.83 H new ATOM 0 HD11 ILE B 15 102.271 -0.421 15.945 1.00 1.25 H new ATOM 0 HD12 ILE B 15 100.783 -0.357 16.919 1.00 1.25 H new ATOM 0 HD13 ILE B 15 100.700 -0.791 15.195 1.00 1.25 H new ATOM 1963 N THR B 16 98.566 3.537 17.800 1.00 0.35 N ATOM 1964 CA THR B 16 98.659 4.075 19.197 1.00 0.47 C ATOM 1965 C THR B 16 98.144 3.036 20.199 1.00 0.31 C ATOM 1966 O THR B 16 97.183 2.337 19.946 1.00 0.35 O ATOM 1967 CB THR B 16 97.806 5.344 19.302 1.00 0.75 C ATOM 1968 OG1 THR B 16 98.372 6.360 18.486 1.00 1.61 O ATOM 1969 CG2 THR B 16 97.759 5.822 20.755 1.00 1.40 C ATOM 0 H THR B 16 97.712 3.019 17.593 1.00 0.35 H new ATOM 0 HA THR B 16 99.700 4.303 19.425 1.00 0.47 H new ATOM 0 HB THR B 16 96.792 5.125 18.966 1.00 0.75 H new ATOM 0 HG1 THR B 16 97.827 7.172 18.550 1.00 1.61 H new ATOM 0 HG21 THR B 16 97.151 6.724 20.822 1.00 1.40 H new ATOM 0 HG22 THR B 16 97.322 5.043 21.380 1.00 1.40 H new ATOM 0 HG23 THR B 16 98.770 6.040 21.099 1.00 1.40 H new ATOM 1977 N LEU B 17 98.779 2.941 21.343 1.00 0.39 N ATOM 1978 CA LEU B 17 98.340 1.961 22.386 1.00 0.44 C ATOM 1979 C LEU B 17 97.585 2.707 23.491 1.00 0.31 C ATOM 1980 O LEU B 17 98.053 3.703 24.012 1.00 0.54 O ATOM 1981 CB LEU B 17 99.566 1.271 22.992 1.00 0.72 C ATOM 1982 CG LEU B 17 100.513 0.814 21.878 1.00 0.83 C ATOM 1983 CD1 LEU B 17 101.636 -0.034 22.482 1.00 1.06 C ATOM 1984 CD2 LEU B 17 99.739 -0.023 20.852 1.00 1.32 C ATOM 0 H LEU B 17 99.589 3.505 21.600 1.00 0.39 H new ATOM 0 HA LEU B 17 97.690 1.213 21.932 1.00 0.44 H new ATOM 0 HB2 LEU B 17 100.084 1.956 23.663 1.00 0.72 H new ATOM 0 HB3 LEU B 17 99.254 0.414 23.589 1.00 0.72 H new ATOM 0 HG LEU B 17 100.938 1.688 21.384 1.00 0.83 H new ATOM 0 HD11 LEU B 17 102.311 -0.360 21.691 1.00 1.06 H new ATOM 0 HD12 LEU B 17 102.189 0.560 23.209 1.00 1.06 H new ATOM 0 HD13 LEU B 17 101.208 -0.906 22.976 1.00 1.06 H new ATOM 0 HD21 LEU B 17 100.416 -0.346 20.061 1.00 1.32 H new ATOM 0 HD22 LEU B 17 99.312 -0.897 21.344 1.00 1.32 H new ATOM 0 HD23 LEU B 17 98.939 0.579 20.421 1.00 1.32 H new