USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=19 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 127:sc= 0.629 USER MOD Set 1.2: A 80 GLN : amide:sc= 1.04 K(o=1.7,f=-3!) USER MOD Set 2.1: A 20 LYS NZ :NH3+ 152:sc= -1.96 (180deg=-2.26) USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 19 HIS : no HD1:sc=-0.00482 X(o=-0.0048,f=-0.0048) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0329 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 -19:sc= 0.893 USER MOD Single : A 73 CYS SG : rot 86:sc= 0.0114 USER MOD Single : A 76 SER OG : rot 180:sc= -2.35! USER MOD Single : A 77 TYR OH : rot 180:sc= -0.838 USER MOD Single : A 85 TYR OH : rot -33:sc= -1.23! USER MOD Single : A 88 SER OG : rot 52:sc= 0.173 USER MOD Single : A 90 LYS NZ :NH3+ -113:sc= -0.642 (180deg=-2!) USER MOD Single : A 92 ASN : amide:sc= -5.81! C(o=-5.8!,f=-5.5!) USER MOD Single : A 95 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-3.3!) USER MOD Single : A 99 SER OG : rot 140:sc= 0.0631 USER MOD Single : A 107 SER OG : rot 63:sc= 0.817 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 11 SER OG : rot 16:sc= -1.64 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 16 114.869 6.670 28.101 1.00 2.21 N ATOM 228 CA GLY A 16 113.506 6.103 27.897 1.00 2.06 C ATOM 229 C GLY A 16 113.586 4.652 27.411 1.00 1.98 C ATOM 230 O GLY A 16 114.609 4.005 27.509 1.00 2.44 O ATOM 0 HA2 GLY A 16 112.945 6.148 28.831 1.00 2.06 H new ATOM 0 HA3 GLY A 16 112.962 6.705 27.169 1.00 2.06 H new ATOM 234 N GLY A 17 112.495 4.138 26.903 1.00 1.81 N ATOM 235 CA GLY A 17 112.468 2.728 26.419 1.00 1.74 C ATOM 236 C GLY A 17 113.696 2.431 25.559 1.00 1.78 C ATOM 237 O GLY A 17 113.979 1.291 25.247 1.00 1.80 O ATOM 0 H GLY A 17 111.614 4.642 26.803 1.00 1.81 H new ATOM 0 HA2 GLY A 17 112.439 2.046 27.269 1.00 1.74 H new ATOM 0 HA3 GLY A 17 111.561 2.554 25.840 1.00 1.74 H new ATOM 241 N ALA A 18 114.425 3.438 25.167 1.00 1.84 N ATOM 242 CA ALA A 18 115.635 3.200 24.323 1.00 1.96 C ATOM 243 C ALA A 18 116.483 2.073 24.924 1.00 2.07 C ATOM 244 O ALA A 18 117.416 1.598 24.307 1.00 2.21 O ATOM 245 CB ALA A 18 116.466 4.489 24.255 1.00 2.09 C ATOM 0 H ALA A 18 114.238 4.415 25.393 1.00 1.84 H new ATOM 0 HA ALA A 18 115.322 2.910 23.320 1.00 1.96 H new ATOM 0 HB1 ALA A 18 117.350 4.320 23.640 1.00 2.09 H new ATOM 0 HB2 ALA A 18 115.866 5.286 23.816 1.00 2.09 H new ATOM 0 HB3 ALA A 18 116.773 4.777 25.260 1.00 2.09 H new ATOM 251 N HIS A 19 116.178 1.649 26.125 1.00 2.06 N ATOM 252 CA HIS A 19 116.974 0.562 26.774 1.00 2.21 C ATOM 253 C HIS A 19 116.194 -0.760 26.752 1.00 2.15 C ATOM 254 O HIS A 19 116.776 -1.825 26.699 1.00 2.33 O ATOM 255 CB HIS A 19 117.253 0.964 28.225 1.00 2.33 C ATOM 256 CG HIS A 19 117.908 -0.177 28.956 1.00 2.51 C ATOM 257 ND1 HIS A 19 119.212 -0.570 28.696 1.00 2.79 N ATOM 258 CD2 HIS A 19 117.453 -1.018 29.941 1.00 2.86 C ATOM 259 CE1 HIS A 19 119.494 -1.605 29.508 1.00 2.87 C ATOM 260 NE2 HIS A 19 118.456 -1.919 30.289 1.00 2.87 N ATOM 0 H HIS A 19 115.408 2.011 26.687 1.00 2.06 H new ATOM 0 HA HIS A 19 117.908 0.422 26.230 1.00 2.21 H new ATOM 0 HB2 HIS A 19 117.898 1.842 28.251 1.00 2.33 H new ATOM 0 HB3 HIS A 19 116.322 1.238 28.721 1.00 2.33 H new ATOM 0 HD2 HIS A 19 116.467 -0.986 30.380 1.00 2.86 H new ATOM 0 HE1 HIS A 19 120.443 -2.119 29.526 1.00 2.87 H new ATOM 0 HE2 HIS A 19 118.409 -2.659 30.989 1.00 2.87 H new ATOM 268 N LYS A 20 114.886 -0.708 26.812 1.00 2.02 N ATOM 269 CA LYS A 20 114.075 -1.971 26.817 1.00 2.01 C ATOM 270 C LYS A 20 113.477 -2.239 25.436 1.00 1.90 C ATOM 271 O LYS A 20 113.009 -3.325 25.160 1.00 1.96 O ATOM 272 CB LYS A 20 112.940 -1.831 27.840 1.00 1.99 C ATOM 273 CG LYS A 20 111.902 -0.781 27.358 1.00 1.81 C ATOM 274 CD LYS A 20 110.656 -1.478 26.790 1.00 1.74 C ATOM 275 CE LYS A 20 109.776 -0.453 26.068 1.00 1.58 C ATOM 276 NZ LYS A 20 110.335 -0.182 24.713 1.00 1.94 N ATOM 0 H LYS A 20 114.342 0.154 26.858 1.00 2.02 H new ATOM 0 HA LYS A 20 114.725 -2.805 27.081 1.00 2.01 H new ATOM 0 HB2 LYS A 20 112.451 -2.795 27.985 1.00 1.99 H new ATOM 0 HB3 LYS A 20 113.347 -1.532 28.806 1.00 1.99 H new ATOM 0 HG2 LYS A 20 111.618 -0.134 28.188 1.00 1.81 H new ATOM 0 HG3 LYS A 20 112.349 -0.143 26.595 1.00 1.81 H new ATOM 0 HD2 LYS A 20 110.952 -2.268 26.100 1.00 1.74 H new ATOM 0 HD3 LYS A 20 110.094 -1.952 27.595 1.00 1.74 H new ATOM 0 HE2 LYS A 20 108.756 -0.829 25.984 1.00 1.58 H new ATOM 0 HE3 LYS A 20 109.728 0.471 26.644 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 109.567 0.099 24.070 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 111.034 0.586 24.773 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 110.795 -1.041 24.349 1.00 1.94 H new ATOM 290 N VAL A 21 113.474 -1.271 24.566 1.00 1.80 N ATOM 291 CA VAL A 21 112.889 -1.504 23.216 1.00 1.71 C ATOM 292 C VAL A 21 113.797 -2.436 22.411 1.00 1.76 C ATOM 293 O VAL A 21 114.917 -2.105 22.076 1.00 1.81 O ATOM 294 CB VAL A 21 112.723 -0.167 22.487 1.00 1.64 C ATOM 295 CG1 VAL A 21 114.099 0.425 22.145 1.00 2.07 C ATOM 296 CG2 VAL A 21 111.920 -0.388 21.200 1.00 1.75 C ATOM 0 H VAL A 21 113.847 -0.336 24.727 1.00 1.80 H new ATOM 0 HA VAL A 21 111.911 -1.972 23.323 1.00 1.71 H new ATOM 0 HB VAL A 21 112.193 0.531 23.135 1.00 1.64 H new ATOM 0 HG11 VAL A 21 113.968 1.375 21.627 1.00 2.07 H new ATOM 0 HG12 VAL A 21 114.664 0.587 23.063 1.00 2.07 H new ATOM 0 HG13 VAL A 21 114.643 -0.267 21.502 1.00 2.07 H new ATOM 0 HG21 VAL A 21 111.800 0.562 20.679 1.00 1.75 H new ATOM 0 HG22 VAL A 21 112.450 -1.091 20.557 1.00 1.75 H new ATOM 0 HG23 VAL A 21 110.939 -0.792 21.448 1.00 1.75 H new ATOM 306 N ARG A 22 113.310 -3.608 22.105 1.00 1.78 N ATOM 307 CA ARG A 22 114.111 -4.596 21.320 1.00 1.85 C ATOM 308 C ARG A 22 113.593 -4.627 19.883 1.00 1.74 C ATOM 309 O ARG A 22 112.406 -4.564 19.642 1.00 1.66 O ATOM 310 CB ARG A 22 113.947 -5.977 21.962 1.00 1.96 C ATOM 311 CG ARG A 22 114.656 -7.053 21.124 1.00 2.03 C ATOM 312 CD ARG A 22 116.142 -6.705 20.965 1.00 2.18 C ATOM 313 NE ARG A 22 116.911 -7.948 20.675 1.00 2.75 N ATOM 314 CZ ARG A 22 118.129 -7.869 20.215 1.00 3.10 C ATOM 315 NH1 ARG A 22 118.672 -6.701 20.004 1.00 3.50 N ATOM 316 NH2 ARG A 22 118.804 -8.958 19.966 1.00 3.33 N ATOM 0 H ARG A 22 112.378 -3.929 22.369 1.00 1.78 H new ATOM 0 HA ARG A 22 115.164 -4.316 21.316 1.00 1.85 H new ATOM 0 HB2 ARG A 22 114.358 -5.965 22.971 1.00 1.96 H new ATOM 0 HB3 ARG A 22 112.888 -6.218 22.052 1.00 1.96 H new ATOM 0 HG2 ARG A 22 114.552 -8.026 21.604 1.00 2.03 H new ATOM 0 HG3 ARG A 22 114.186 -7.130 20.144 1.00 2.03 H new ATOM 0 HD2 ARG A 22 116.274 -5.985 20.157 1.00 2.18 H new ATOM 0 HD3 ARG A 22 116.517 -6.236 21.875 1.00 2.18 H new ATOM 0 HE ARG A 22 116.485 -8.861 20.836 1.00 2.75 H new ATOM 0 HH11 ARG A 22 118.144 -5.850 20.199 1.00 3.50 H new ATOM 0 HH12 ARG A 22 119.624 -6.639 19.644 1.00 3.50 H new ATOM 0 HH21 ARG A 22 118.379 -9.870 20.131 1.00 3.33 H new ATOM 0 HH22 ARG A 22 119.756 -8.897 19.606 1.00 3.33 H new ATOM 330 N ALA A 23 114.476 -4.724 18.923 1.00 1.77 N ATOM 331 CA ALA A 23 114.038 -4.761 17.496 1.00 1.68 C ATOM 332 C ALA A 23 114.958 -5.694 16.707 1.00 1.77 C ATOM 333 O ALA A 23 116.128 -5.424 16.528 1.00 1.83 O ATOM 334 CB ALA A 23 114.113 -3.352 16.904 1.00 1.59 C ATOM 0 H ALA A 23 115.484 -4.779 19.067 1.00 1.77 H new ATOM 0 HA ALA A 23 113.012 -5.126 17.438 1.00 1.68 H new ATOM 0 HB1 ALA A 23 113.794 -3.378 15.862 1.00 1.59 H new ATOM 0 HB2 ALA A 23 113.460 -2.685 17.467 1.00 1.59 H new ATOM 0 HB3 ALA A 23 115.139 -2.988 16.960 1.00 1.59 H new ATOM 340 N GLY A 24 114.434 -6.793 16.236 1.00 1.80 N ATOM 341 CA GLY A 24 115.273 -7.752 15.457 1.00 1.90 C ATOM 342 C GLY A 24 114.380 -8.604 14.550 1.00 1.86 C ATOM 343 O GLY A 24 113.407 -9.185 14.990 1.00 1.86 O ATOM 0 H GLY A 24 113.460 -7.070 16.357 1.00 1.80 H new ATOM 0 HA2 GLY A 24 116.002 -7.207 14.857 1.00 1.90 H new ATOM 0 HA3 GLY A 24 115.834 -8.393 16.136 1.00 1.90 H new ATOM 347 N GLY A 25 114.702 -8.684 13.285 1.00 1.85 N ATOM 348 CA GLY A 25 113.871 -9.503 12.356 1.00 1.84 C ATOM 349 C GLY A 25 114.468 -9.450 10.949 1.00 1.84 C ATOM 350 O GLY A 25 115.495 -8.841 10.722 1.00 1.84 O ATOM 0 H GLY A 25 115.502 -8.219 12.857 1.00 1.85 H new ATOM 0 HA2 GLY A 25 113.828 -10.535 12.705 1.00 1.84 H new ATOM 0 HA3 GLY A 25 112.848 -9.128 12.342 1.00 1.84 H new ATOM 354 N THR A 26 113.830 -10.079 10.000 1.00 1.86 N ATOM 355 CA THR A 26 114.358 -10.063 8.606 1.00 1.87 C ATOM 356 C THR A 26 114.013 -8.725 7.947 1.00 1.75 C ATOM 357 O THR A 26 114.688 -8.272 7.040 1.00 1.76 O ATOM 358 CB THR A 26 113.721 -11.201 7.806 1.00 1.96 C ATOM 359 OG1 THR A 26 112.324 -11.232 8.060 1.00 2.31 O ATOM 360 CG2 THR A 26 114.347 -12.533 8.221 1.00 2.29 C ATOM 0 H THR A 26 112.965 -10.604 10.130 1.00 1.86 H new ATOM 0 HA THR A 26 115.440 -10.193 8.626 1.00 1.87 H new ATOM 0 HB THR A 26 113.894 -11.038 6.742 1.00 1.96 H new ATOM 0 HG1 THR A 26 111.914 -11.959 7.547 1.00 2.31 H new ATOM 0 HG21 THR A 26 113.892 -13.342 7.650 1.00 2.29 H new ATOM 0 HG22 THR A 26 115.419 -12.508 8.024 1.00 2.29 H new ATOM 0 HG23 THR A 26 114.177 -12.699 9.285 1.00 2.29 H new ATOM 368 N GLY A 27 112.965 -8.089 8.394 1.00 1.64 N ATOM 369 CA GLY A 27 112.573 -6.785 7.794 1.00 1.54 C ATOM 370 C GLY A 27 113.584 -5.718 8.202 1.00 1.50 C ATOM 371 O GLY A 27 113.606 -4.628 7.665 1.00 1.46 O ATOM 0 H GLY A 27 112.364 -8.417 9.150 1.00 1.64 H new ATOM 0 HA2 GLY A 27 112.534 -6.869 6.708 1.00 1.54 H new ATOM 0 HA3 GLY A 27 111.575 -6.503 8.128 1.00 1.54 H new ATOM 375 N LEU A 28 114.426 -6.025 9.150 1.00 1.57 N ATOM 376 CA LEU A 28 115.446 -5.034 9.601 1.00 1.59 C ATOM 377 C LEU A 28 116.726 -5.233 8.785 1.00 1.69 C ATOM 378 O LEU A 28 117.668 -4.474 8.895 1.00 1.83 O ATOM 379 CB LEU A 28 115.745 -5.259 11.092 1.00 1.65 C ATOM 380 CG LEU A 28 114.675 -4.570 11.964 1.00 1.58 C ATOM 381 CD1 LEU A 28 114.621 -5.243 13.339 1.00 1.66 C ATOM 382 CD2 LEU A 28 115.018 -3.084 12.157 1.00 1.61 C ATOM 0 H LEU A 28 114.452 -6.923 9.634 1.00 1.57 H new ATOM 0 HA LEU A 28 115.072 -4.020 9.456 1.00 1.59 H new ATOM 0 HB2 LEU A 28 115.767 -6.327 11.308 1.00 1.65 H new ATOM 0 HB3 LEU A 28 116.731 -4.864 11.335 1.00 1.65 H new ATOM 0 HG LEU A 28 113.711 -4.658 11.463 1.00 1.58 H new ATOM 0 HD11 LEU A 28 113.865 -4.755 13.954 1.00 1.66 H new ATOM 0 HD12 LEU A 28 114.367 -6.296 13.219 1.00 1.66 H new ATOM 0 HD13 LEU A 28 115.593 -5.158 13.824 1.00 1.66 H new ATOM 0 HD21 LEU A 28 114.254 -2.611 12.774 1.00 1.61 H new ATOM 0 HD22 LEU A 28 115.987 -2.995 12.648 1.00 1.61 H new ATOM 0 HD23 LEU A 28 115.056 -2.590 11.186 1.00 1.61 H new ATOM 394 N GLU A 29 116.767 -6.254 7.969 1.00 1.73 N ATOM 395 CA GLU A 29 117.986 -6.514 7.146 1.00 1.84 C ATOM 396 C GLU A 29 117.805 -5.914 5.750 1.00 1.75 C ATOM 397 O GLU A 29 118.650 -5.187 5.268 1.00 1.78 O ATOM 398 CB GLU A 29 118.204 -8.025 7.035 1.00 2.00 C ATOM 399 CG GLU A 29 118.034 -8.665 8.416 1.00 2.06 C ATOM 400 CD GLU A 29 118.314 -10.166 8.324 1.00 1.98 C ATOM 401 OE1 GLU A 29 117.508 -10.864 7.731 1.00 2.21 O ATOM 402 OE2 GLU A 29 119.329 -10.592 8.849 1.00 2.34 O ATOM 0 H GLU A 29 116.007 -6.921 7.837 1.00 1.73 H new ATOM 0 HA GLU A 29 118.852 -6.053 7.621 1.00 1.84 H new ATOM 0 HB2 GLU A 29 117.491 -8.456 6.332 1.00 2.00 H new ATOM 0 HB3 GLU A 29 119.201 -8.232 6.646 1.00 2.00 H new ATOM 0 HG2 GLU A 29 118.715 -8.201 9.129 1.00 2.06 H new ATOM 0 HG3 GLU A 29 117.022 -8.495 8.784 1.00 2.06 H new ATOM 409 N ARG A 30 116.714 -6.209 5.091 1.00 1.69 N ATOM 410 CA ARG A 30 116.503 -5.642 3.724 1.00 1.64 C ATOM 411 C ARG A 30 115.115 -6.027 3.201 1.00 1.59 C ATOM 412 O ARG A 30 114.312 -6.608 3.903 1.00 1.61 O ATOM 413 CB ARG A 30 117.569 -6.198 2.776 1.00 1.75 C ATOM 414 CG ARG A 30 117.685 -7.709 2.979 1.00 2.21 C ATOM 415 CD ARG A 30 118.578 -8.307 1.891 1.00 2.47 C ATOM 416 NE ARG A 30 118.557 -9.793 1.998 1.00 2.96 N ATOM 417 CZ ARG A 30 119.002 -10.525 1.015 1.00 3.36 C ATOM 418 NH1 ARG A 30 119.469 -9.957 -0.063 1.00 3.77 N ATOM 419 NH2 ARG A 30 118.980 -11.826 1.111 1.00 3.76 N ATOM 0 H ARG A 30 115.967 -6.812 5.435 1.00 1.69 H new ATOM 0 HA ARG A 30 116.578 -4.556 3.774 1.00 1.64 H new ATOM 0 HB2 ARG A 30 117.304 -5.977 1.742 1.00 1.75 H new ATOM 0 HB3 ARG A 30 118.529 -5.719 2.968 1.00 1.75 H new ATOM 0 HG2 ARG A 30 118.102 -7.923 3.963 1.00 2.21 H new ATOM 0 HG3 ARG A 30 116.697 -8.167 2.945 1.00 2.21 H new ATOM 0 HD2 ARG A 30 118.228 -7.997 0.906 1.00 2.47 H new ATOM 0 HD3 ARG A 30 119.598 -7.938 1.998 1.00 2.47 H new ATOM 0 HE ARG A 30 118.194 -10.238 2.841 1.00 2.96 H new ATOM 0 HH11 ARG A 30 119.486 -8.940 -0.137 1.00 3.77 H new ATOM 0 HH12 ARG A 30 119.817 -10.530 -0.832 1.00 3.77 H new ATOM 0 HH21 ARG A 30 118.615 -12.269 1.954 1.00 3.76 H new ATOM 0 HH22 ARG A 30 119.328 -12.400 0.343 1.00 3.76 H new ATOM 433 N GLY A 31 114.835 -5.709 1.962 1.00 1.54 N ATOM 434 CA GLY A 31 113.511 -6.054 1.369 1.00 1.52 C ATOM 435 C GLY A 31 113.687 -6.216 -0.139 1.00 1.55 C ATOM 436 O GLY A 31 114.769 -6.030 -0.660 1.00 1.57 O ATOM 0 H GLY A 31 115.473 -5.222 1.333 1.00 1.54 H new ATOM 0 HA2 GLY A 31 113.127 -6.975 1.807 1.00 1.52 H new ATOM 0 HA3 GLY A 31 112.783 -5.271 1.584 1.00 1.52 H new ATOM 440 N VAL A 32 112.644 -6.570 -0.850 1.00 1.56 N ATOM 441 CA VAL A 32 112.768 -6.749 -2.334 1.00 1.60 C ATOM 442 C VAL A 32 111.590 -6.077 -3.057 1.00 1.53 C ATOM 443 O VAL A 32 110.505 -5.950 -2.526 1.00 1.50 O ATOM 444 CB VAL A 32 112.806 -8.249 -2.644 1.00 1.75 C ATOM 445 CG1 VAL A 32 112.606 -8.496 -4.147 1.00 1.80 C ATOM 446 CG2 VAL A 32 114.154 -8.830 -2.198 1.00 1.83 C ATOM 0 H VAL A 32 111.714 -6.743 -0.470 1.00 1.56 H new ATOM 0 HA VAL A 32 113.686 -6.279 -2.687 1.00 1.60 H new ATOM 0 HB VAL A 32 111.998 -8.740 -2.102 1.00 1.75 H new ATOM 0 HG11 VAL A 32 112.636 -9.567 -4.347 1.00 1.80 H new ATOM 0 HG12 VAL A 32 111.640 -8.096 -4.456 1.00 1.80 H new ATOM 0 HG13 VAL A 32 113.400 -8.000 -4.706 1.00 1.80 H new ATOM 0 HG21 VAL A 32 114.181 -9.897 -2.418 1.00 1.83 H new ATOM 0 HG22 VAL A 32 114.961 -8.328 -2.732 1.00 1.83 H new ATOM 0 HG23 VAL A 32 114.279 -8.678 -1.126 1.00 1.83 H new ATOM 456 N ALA A 33 111.822 -5.637 -4.268 1.00 1.51 N ATOM 457 CA ALA A 33 110.756 -4.949 -5.069 1.00 1.46 C ATOM 458 C ALA A 33 109.362 -5.565 -4.843 1.00 1.53 C ATOM 459 O ALA A 33 109.074 -6.667 -5.266 1.00 1.64 O ATOM 460 CB ALA A 33 111.127 -5.034 -6.569 1.00 1.51 C ATOM 0 H ALA A 33 112.719 -5.726 -4.746 1.00 1.51 H new ATOM 0 HA ALA A 33 110.704 -3.911 -4.741 1.00 1.46 H new ATOM 0 HB1 ALA A 33 110.359 -4.537 -7.162 1.00 1.51 H new ATOM 0 HB2 ALA A 33 112.087 -4.545 -6.735 1.00 1.51 H new ATOM 0 HB3 ALA A 33 111.196 -6.080 -6.868 1.00 1.51 H new ATOM 466 N GLY A 34 108.491 -4.817 -4.221 1.00 1.46 N ATOM 467 CA GLY A 34 107.093 -5.277 -3.997 1.00 1.52 C ATOM 468 C GLY A 34 107.059 -6.625 -3.289 1.00 1.62 C ATOM 469 O GLY A 34 106.368 -7.531 -3.710 1.00 1.73 O ATOM 0 H GLY A 34 108.695 -3.888 -3.852 1.00 1.46 H new ATOM 0 HA2 GLY A 34 106.556 -4.538 -3.402 1.00 1.52 H new ATOM 0 HA3 GLY A 34 106.576 -5.353 -4.953 1.00 1.52 H new ATOM 473 N VAL A 35 107.781 -6.762 -2.208 1.00 1.59 N ATOM 474 CA VAL A 35 107.778 -8.050 -1.448 1.00 1.69 C ATOM 475 C VAL A 35 107.457 -7.745 0.034 1.00 1.61 C ATOM 476 O VAL A 35 108.343 -7.347 0.765 1.00 1.55 O ATOM 477 CB VAL A 35 109.162 -8.703 -1.569 1.00 1.77 C ATOM 478 CG1 VAL A 35 109.300 -9.835 -0.546 1.00 2.04 C ATOM 479 CG2 VAL A 35 109.318 -9.279 -2.983 1.00 2.19 C ATOM 0 H VAL A 35 108.377 -6.033 -1.815 1.00 1.59 H new ATOM 0 HA VAL A 35 107.028 -8.732 -1.848 1.00 1.69 H new ATOM 0 HB VAL A 35 109.932 -7.955 -1.379 1.00 1.77 H new ATOM 0 HG11 VAL A 35 110.285 -10.292 -0.640 1.00 2.04 H new ATOM 0 HG12 VAL A 35 109.181 -9.433 0.460 1.00 2.04 H new ATOM 0 HG13 VAL A 35 108.532 -10.587 -0.729 1.00 2.04 H new ATOM 0 HG21 VAL A 35 110.298 -9.745 -3.080 1.00 2.19 H new ATOM 0 HG22 VAL A 35 108.542 -10.024 -3.160 1.00 2.19 H new ATOM 0 HG23 VAL A 35 109.224 -8.477 -3.715 1.00 2.19 H new ATOM 489 N PRO A 36 106.207 -7.911 0.452 1.00 1.67 N ATOM 490 CA PRO A 36 105.827 -7.614 1.848 1.00 1.61 C ATOM 491 C PRO A 36 106.683 -8.431 2.821 1.00 1.61 C ATOM 492 O PRO A 36 107.111 -9.528 2.521 1.00 1.74 O ATOM 493 CB PRO A 36 104.327 -7.984 1.946 1.00 1.76 C ATOM 494 CG PRO A 36 103.841 -8.318 0.507 1.00 1.96 C ATOM 495 CD PRO A 36 105.092 -8.397 -0.395 1.00 1.85 C ATOM 0 HA PRO A 36 105.991 -6.569 2.113 1.00 1.61 H new ATOM 0 HB2 PRO A 36 104.184 -8.838 2.608 1.00 1.76 H new ATOM 0 HB3 PRO A 36 103.753 -7.157 2.364 1.00 1.76 H new ATOM 0 HG2 PRO A 36 103.298 -9.263 0.495 1.00 1.96 H new ATOM 0 HG3 PRO A 36 103.155 -7.552 0.146 1.00 1.96 H new ATOM 0 HD2 PRO A 36 105.270 -9.417 -0.734 1.00 1.85 H new ATOM 0 HD3 PRO A 36 104.976 -7.780 -1.286 1.00 1.85 H new ATOM 503 N ALA A 37 106.938 -7.896 3.985 1.00 1.53 N ATOM 504 CA ALA A 37 107.768 -8.634 4.978 1.00 1.62 C ATOM 505 C ALA A 37 107.461 -8.102 6.377 1.00 1.53 C ATOM 506 O ALA A 37 106.504 -7.379 6.575 1.00 1.52 O ATOM 507 CB ALA A 37 109.251 -8.425 4.659 1.00 1.69 C ATOM 0 H ALA A 37 106.607 -6.981 4.290 1.00 1.53 H new ATOM 0 HA ALA A 37 107.539 -9.699 4.934 1.00 1.62 H new ATOM 0 HB1 ALA A 37 109.859 -8.965 5.385 1.00 1.69 H new ATOM 0 HB2 ALA A 37 109.464 -8.799 3.658 1.00 1.69 H new ATOM 0 HB3 ALA A 37 109.487 -7.362 4.707 1.00 1.69 H new ATOM 513 N GLU A 38 108.258 -8.448 7.350 1.00 1.50 N ATOM 514 CA GLU A 38 107.990 -7.949 8.726 1.00 1.45 C ATOM 515 C GLU A 38 109.153 -8.272 9.657 1.00 1.50 C ATOM 516 O GLU A 38 110.029 -9.055 9.345 1.00 1.60 O ATOM 517 CB GLU A 38 106.709 -8.606 9.271 1.00 1.54 C ATOM 518 CG GLU A 38 106.984 -10.066 9.656 1.00 1.68 C ATOM 519 CD GLU A 38 105.661 -10.826 9.776 1.00 1.83 C ATOM 520 OE1 GLU A 38 104.651 -10.185 10.018 1.00 2.23 O ATOM 521 OE2 GLU A 38 105.680 -12.037 9.624 1.00 2.12 O ATOM 0 H GLU A 38 109.076 -9.049 7.253 1.00 1.50 H new ATOM 0 HA GLU A 38 107.867 -6.867 8.681 1.00 1.45 H new ATOM 0 HB2 GLU A 38 106.350 -8.055 10.140 1.00 1.54 H new ATOM 0 HB3 GLU A 38 105.921 -8.563 8.519 1.00 1.54 H new ATOM 0 HG2 GLU A 38 107.618 -10.537 8.905 1.00 1.68 H new ATOM 0 HG3 GLU A 38 107.525 -10.107 10.601 1.00 1.68 H new ATOM 528 N PHE A 39 109.136 -7.685 10.821 1.00 1.46 N ATOM 529 CA PHE A 39 110.194 -7.948 11.827 1.00 1.54 C ATOM 530 C PHE A 39 109.532 -7.904 13.197 1.00 1.53 C ATOM 531 O PHE A 39 108.333 -7.735 13.301 1.00 1.50 O ATOM 532 CB PHE A 39 111.332 -6.916 11.734 1.00 1.54 C ATOM 533 CG PHE A 39 110.796 -5.502 11.624 1.00 1.31 C ATOM 534 CD1 PHE A 39 110.106 -5.099 10.476 1.00 1.36 C ATOM 535 CD2 PHE A 39 111.017 -4.585 12.663 1.00 1.34 C ATOM 536 CE1 PHE A 39 109.630 -3.787 10.367 1.00 1.32 C ATOM 537 CE2 PHE A 39 110.544 -3.274 12.551 1.00 1.37 C ATOM 538 CZ PHE A 39 109.848 -2.875 11.405 1.00 1.30 C ATOM 0 H PHE A 39 108.420 -7.023 11.120 1.00 1.46 H new ATOM 0 HA PHE A 39 110.648 -8.922 11.648 1.00 1.54 H new ATOM 0 HB2 PHE A 39 111.970 -6.996 12.614 1.00 1.54 H new ATOM 0 HB3 PHE A 39 111.955 -7.138 10.868 1.00 1.54 H new ATOM 0 HD1 PHE A 39 109.940 -5.801 9.672 1.00 1.36 H new ATOM 0 HD2 PHE A 39 111.553 -4.892 13.549 1.00 1.34 H new ATOM 0 HE1 PHE A 39 109.094 -3.479 9.481 1.00 1.32 H new ATOM 0 HE2 PHE A 39 110.716 -2.568 13.350 1.00 1.37 H new ATOM 0 HZ PHE A 39 109.479 -1.863 11.322 1.00 1.30 H new ATOM 548 N SER A 40 110.284 -8.084 14.244 1.00 1.60 N ATOM 549 CA SER A 40 109.680 -8.088 15.617 1.00 1.61 C ATOM 550 C SER A 40 110.083 -6.834 16.397 1.00 1.59 C ATOM 551 O SER A 40 111.143 -6.275 16.200 1.00 1.64 O ATOM 552 CB SER A 40 110.174 -9.323 16.373 1.00 1.73 C ATOM 553 OG SER A 40 110.003 -10.472 15.554 1.00 2.37 O ATOM 0 H SER A 40 111.293 -8.229 14.215 1.00 1.60 H new ATOM 0 HA SER A 40 108.594 -8.104 15.520 1.00 1.61 H new ATOM 0 HB2 SER A 40 111.224 -9.205 16.640 1.00 1.73 H new ATOM 0 HB3 SER A 40 109.620 -9.440 17.304 1.00 1.73 H new ATOM 0 HG SER A 40 110.320 -11.266 16.034 1.00 2.37 H new ATOM 559 N ILE A 41 109.237 -6.405 17.300 1.00 1.54 N ATOM 560 CA ILE A 41 109.545 -5.202 18.130 1.00 1.54 C ATOM 561 C ILE A 41 108.908 -5.380 19.509 1.00 1.60 C ATOM 562 O ILE A 41 107.753 -5.067 19.712 1.00 1.65 O ATOM 563 CB ILE A 41 108.965 -3.945 17.480 1.00 1.45 C ATOM 564 CG1 ILE A 41 109.361 -3.887 16.000 1.00 1.47 C ATOM 565 CG2 ILE A 41 109.508 -2.705 18.199 1.00 1.50 C ATOM 566 CD1 ILE A 41 108.962 -2.528 15.398 1.00 1.34 C ATOM 0 H ILE A 41 108.337 -6.842 17.499 1.00 1.54 H new ATOM 0 HA ILE A 41 110.626 -5.094 18.215 1.00 1.54 H new ATOM 0 HB ILE A 41 107.878 -3.972 17.558 1.00 1.45 H new ATOM 0 HG12 ILE A 41 110.436 -4.038 15.897 1.00 1.47 H new ATOM 0 HG13 ILE A 41 108.872 -4.693 15.453 1.00 1.47 H new ATOM 0 HG21 ILE A 41 109.096 -1.807 17.738 1.00 1.50 H new ATOM 0 HG22 ILE A 41 109.219 -2.738 19.250 1.00 1.50 H new ATOM 0 HG23 ILE A 41 110.595 -2.686 18.122 1.00 1.50 H new ATOM 0 HD11 ILE A 41 109.248 -2.498 14.347 1.00 1.34 H new ATOM 0 HD12 ILE A 41 107.884 -2.394 15.485 1.00 1.34 H new ATOM 0 HD13 ILE A 41 109.471 -1.728 15.936 1.00 1.34 H new ATOM 578 N TRP A 42 109.646 -5.876 20.463 1.00 1.65 N ATOM 579 CA TRP A 42 109.074 -6.067 21.829 1.00 1.71 C ATOM 580 C TRP A 42 109.247 -4.762 22.618 1.00 1.77 C ATOM 581 O TRP A 42 110.276 -4.119 22.554 1.00 1.78 O ATOM 582 CB TRP A 42 109.807 -7.243 22.508 1.00 1.88 C ATOM 583 CG TRP A 42 109.804 -7.108 24.006 1.00 2.08 C ATOM 584 CD1 TRP A 42 110.543 -6.216 24.708 1.00 2.66 C ATOM 585 CD2 TRP A 42 109.050 -7.877 24.989 1.00 2.36 C ATOM 586 NE1 TRP A 42 110.285 -6.385 26.056 1.00 2.89 N ATOM 587 CE2 TRP A 42 109.373 -7.396 26.280 1.00 2.64 C ATOM 588 CE3 TRP A 42 108.126 -8.931 24.886 1.00 3.00 C ATOM 589 CZ2 TRP A 42 108.800 -7.943 27.429 1.00 3.08 C ATOM 590 CZ3 TRP A 42 107.548 -9.485 26.041 1.00 3.68 C ATOM 591 CH2 TRP A 42 107.884 -8.991 27.309 1.00 3.56 C ATOM 0 H TRP A 42 110.621 -6.158 20.358 1.00 1.65 H new ATOM 0 HA TRP A 42 108.011 -6.304 21.786 1.00 1.71 H new ATOM 0 HB2 TRP A 42 109.329 -8.181 22.226 1.00 1.88 H new ATOM 0 HB3 TRP A 42 110.835 -7.288 22.148 1.00 1.88 H new ATOM 0 HD1 TRP A 42 111.223 -5.491 24.284 1.00 2.66 H new ATOM 0 HE1 TRP A 42 110.716 -5.830 26.795 1.00 2.89 H new ATOM 0 HE3 TRP A 42 107.859 -9.317 23.914 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 109.063 -7.559 28.404 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 106.841 -10.296 25.951 1.00 3.68 H new ATOM 0 HH2 TRP A 42 107.435 -9.420 28.193 1.00 3.56 H new ATOM 602 N THR A 43 108.246 -4.367 23.356 1.00 1.91 N ATOM 603 CA THR A 43 108.352 -3.103 24.140 1.00 2.07 C ATOM 604 C THR A 43 107.197 -3.024 25.142 1.00 1.92 C ATOM 605 O THR A 43 106.045 -2.932 24.769 1.00 2.17 O ATOM 606 CB THR A 43 108.281 -1.904 23.185 1.00 2.42 C ATOM 607 OG1 THR A 43 107.733 -0.786 23.870 1.00 2.72 O ATOM 608 CG2 THR A 43 107.395 -2.249 21.986 1.00 2.89 C ATOM 0 H THR A 43 107.360 -4.864 23.450 1.00 1.91 H new ATOM 0 HA THR A 43 109.300 -3.087 24.677 1.00 2.07 H new ATOM 0 HB THR A 43 109.285 -1.663 22.834 1.00 2.42 H new ATOM 0 HG1 THR A 43 107.689 -0.019 23.261 1.00 2.72 H new ATOM 0 HG21 THR A 43 107.348 -1.395 21.311 1.00 2.89 H new ATOM 0 HG22 THR A 43 107.814 -3.106 21.458 1.00 2.89 H new ATOM 0 HG23 THR A 43 106.391 -2.493 22.334 1.00 2.89 H new ATOM 616 N ARG A 44 107.496 -3.058 26.414 1.00 1.96 N ATOM 617 CA ARG A 44 106.412 -2.983 27.434 1.00 1.92 C ATOM 618 C ARG A 44 107.023 -2.778 28.822 1.00 1.92 C ATOM 619 O ARG A 44 106.333 -2.472 29.774 1.00 2.18 O ATOM 620 CB ARG A 44 105.600 -4.284 27.412 1.00 2.09 C ATOM 621 CG ARG A 44 106.501 -5.480 27.783 1.00 2.62 C ATOM 622 CD ARG A 44 106.716 -5.582 29.313 1.00 3.00 C ATOM 623 NE ARG A 44 106.660 -7.015 29.718 1.00 3.63 N ATOM 624 CZ ARG A 44 107.088 -7.377 30.897 1.00 4.14 C ATOM 625 NH1 ARG A 44 107.557 -6.483 31.724 1.00 4.51 N ATOM 626 NH2 ARG A 44 107.045 -8.633 31.250 1.00 4.63 N ATOM 0 H ARG A 44 108.442 -3.134 26.789 1.00 1.96 H new ATOM 0 HA ARG A 44 105.756 -2.143 27.205 1.00 1.92 H new ATOM 0 HB2 ARG A 44 104.769 -4.214 28.113 1.00 2.09 H new ATOM 0 HB3 ARG A 44 105.170 -4.436 26.422 1.00 2.09 H new ATOM 0 HG2 ARG A 44 106.051 -6.402 27.417 1.00 2.62 H new ATOM 0 HG3 ARG A 44 107.466 -5.377 27.286 1.00 2.62 H new ATOM 0 HD2 ARG A 44 107.679 -5.151 29.587 1.00 3.00 H new ATOM 0 HD3 ARG A 44 105.950 -5.012 29.839 1.00 3.00 H new ATOM 0 HE ARG A 44 106.287 -7.713 29.074 1.00 3.63 H new ATOM 0 HH11 ARG A 44 107.589 -5.501 31.449 1.00 4.51 H new ATOM 0 HH12 ARG A 44 107.891 -6.766 32.645 1.00 4.51 H new ATOM 0 HH21 ARG A 44 106.677 -9.332 30.605 1.00 4.63 H new ATOM 0 HH22 ARG A 44 107.379 -8.916 32.171 1.00 4.63 H new ATOM 640 N GLU A 45 108.311 -2.948 28.947 1.00 1.87 N ATOM 641 CA GLU A 45 108.957 -2.767 30.277 1.00 1.94 C ATOM 642 C GLU A 45 108.830 -1.305 30.711 1.00 1.84 C ATOM 643 O GLU A 45 108.475 -1.010 31.834 1.00 1.87 O ATOM 644 CB GLU A 45 110.438 -3.151 30.184 1.00 2.09 C ATOM 645 CG GLU A 45 110.997 -3.401 31.587 1.00 2.37 C ATOM 646 CD GLU A 45 112.525 -3.451 31.524 1.00 2.40 C ATOM 647 OE1 GLU A 45 113.042 -3.898 30.514 1.00 2.89 O ATOM 648 OE2 GLU A 45 113.152 -3.040 32.487 1.00 2.73 O ATOM 0 H GLU A 45 108.942 -3.204 28.188 1.00 1.87 H new ATOM 0 HA GLU A 45 108.465 -3.406 31.010 1.00 1.94 H new ATOM 0 HB2 GLU A 45 110.554 -4.045 29.572 1.00 2.09 H new ATOM 0 HB3 GLU A 45 111.000 -2.355 29.695 1.00 2.09 H new ATOM 0 HG2 GLU A 45 110.676 -2.610 32.265 1.00 2.37 H new ATOM 0 HG3 GLU A 45 110.608 -4.339 31.984 1.00 2.37 H new ATOM 655 N ALA A 46 109.112 -0.385 29.828 1.00 1.74 N ATOM 656 CA ALA A 46 108.998 1.053 30.197 1.00 1.71 C ATOM 657 C ALA A 46 107.581 1.325 30.686 1.00 1.64 C ATOM 658 O ALA A 46 107.373 1.895 31.738 1.00 1.71 O ATOM 659 CB ALA A 46 109.288 1.929 28.975 1.00 1.66 C ATOM 0 H ALA A 46 109.415 -0.567 28.871 1.00 1.74 H new ATOM 0 HA ALA A 46 109.717 1.286 30.982 1.00 1.71 H new ATOM 0 HB1 ALA A 46 109.203 2.980 29.252 1.00 1.66 H new ATOM 0 HB2 ALA A 46 110.297 1.729 28.615 1.00 1.66 H new ATOM 0 HB3 ALA A 46 108.570 1.702 28.186 1.00 1.66 H new ATOM 665 N GLY A 47 106.601 0.914 29.925 1.00 1.60 N ATOM 666 CA GLY A 47 105.182 1.134 30.329 1.00 1.58 C ATOM 667 C GLY A 47 104.365 1.529 29.102 1.00 1.42 C ATOM 668 O GLY A 47 104.701 1.188 27.987 1.00 1.37 O ATOM 0 H GLY A 47 106.724 0.432 29.035 1.00 1.60 H new ATOM 0 HA2 GLY A 47 104.774 0.227 30.776 1.00 1.58 H new ATOM 0 HA3 GLY A 47 105.124 1.916 31.086 1.00 1.58 H new ATOM 672 N ALA A 48 103.296 2.249 29.300 1.00 1.40 N ATOM 673 CA ALA A 48 102.455 2.680 28.145 1.00 1.27 C ATOM 674 C ALA A 48 103.024 3.981 27.575 1.00 1.21 C ATOM 675 O ALA A 48 103.699 4.724 28.259 1.00 1.37 O ATOM 676 CB ALA A 48 101.020 2.916 28.619 1.00 1.32 C ATOM 0 H ALA A 48 102.966 2.559 30.214 1.00 1.40 H new ATOM 0 HA ALA A 48 102.458 1.907 27.377 1.00 1.27 H new ATOM 0 HB1 ALA A 48 100.405 3.231 27.776 1.00 1.32 H new ATOM 0 HB2 ALA A 48 100.618 1.993 29.036 1.00 1.32 H new ATOM 0 HB3 ALA A 48 101.012 3.693 29.383 1.00 1.32 H new ATOM 682 N GLY A 49 102.761 4.265 26.329 1.00 1.04 N ATOM 683 CA GLY A 49 103.294 5.520 25.726 1.00 1.02 C ATOM 684 C GLY A 49 102.861 5.609 24.264 1.00 0.87 C ATOM 685 O GLY A 49 101.747 5.269 23.917 1.00 0.71 O ATOM 0 H GLY A 49 102.202 3.685 25.704 1.00 1.04 H new ATOM 0 HA2 GLY A 49 102.927 6.385 26.278 1.00 1.02 H new ATOM 0 HA3 GLY A 49 104.382 5.536 25.795 1.00 1.02 H new ATOM 689 N GLY A 50 103.734 6.064 23.400 1.00 0.98 N ATOM 690 CA GLY A 50 103.379 6.177 21.952 1.00 0.86 C ATOM 691 C GLY A 50 104.564 5.723 21.106 1.00 0.86 C ATOM 692 O GLY A 50 105.661 5.556 21.597 1.00 1.06 O ATOM 0 H GLY A 50 104.680 6.363 23.636 1.00 0.98 H new ATOM 0 HA2 GLY A 50 102.504 5.565 21.731 1.00 0.86 H new ATOM 0 HA3 GLY A 50 103.117 7.207 21.709 1.00 0.86 H new ATOM 696 N LEU A 51 104.351 5.521 19.837 1.00 0.74 N ATOM 697 CA LEU A 51 105.460 5.076 18.942 1.00 0.75 C ATOM 698 C LEU A 51 105.298 5.765 17.597 1.00 0.68 C ATOM 699 O LEU A 51 104.428 5.422 16.831 1.00 0.60 O ATOM 700 CB LEU A 51 105.383 3.554 18.761 1.00 0.74 C ATOM 701 CG LEU A 51 106.554 3.053 17.900 1.00 0.81 C ATOM 702 CD1 LEU A 51 107.886 3.228 18.650 1.00 1.10 C ATOM 703 CD2 LEU A 51 106.334 1.570 17.580 1.00 0.77 C ATOM 0 H LEU A 51 103.450 5.645 19.375 1.00 0.74 H new ATOM 0 HA LEU A 51 106.426 5.334 19.375 1.00 0.75 H new ATOM 0 HB2 LEU A 51 105.405 3.065 19.735 1.00 0.74 H new ATOM 0 HB3 LEU A 51 104.437 3.285 18.290 1.00 0.74 H new ATOM 0 HG LEU A 51 106.597 3.633 16.978 1.00 0.81 H new ATOM 0 HD11 LEU A 51 108.705 2.868 18.027 1.00 1.10 H new ATOM 0 HD12 LEU A 51 108.040 4.283 18.878 1.00 1.10 H new ATOM 0 HD13 LEU A 51 107.859 2.657 19.578 1.00 1.10 H new ATOM 0 HD21 LEU A 51 107.159 1.203 16.969 1.00 0.77 H new ATOM 0 HD22 LEU A 51 106.289 1.000 18.508 1.00 0.77 H new ATOM 0 HD23 LEU A 51 105.398 1.450 17.035 1.00 0.77 H new ATOM 715 N SER A 52 106.133 6.733 17.310 1.00 0.75 N ATOM 716 CA SER A 52 106.044 7.460 16.007 1.00 0.71 C ATOM 717 C SER A 52 106.931 6.743 14.988 1.00 0.70 C ATOM 718 O SER A 52 107.986 6.251 15.338 1.00 0.78 O ATOM 719 CB SER A 52 106.535 8.900 16.192 1.00 0.82 C ATOM 720 OG SER A 52 106.124 9.375 17.468 1.00 1.56 O ATOM 0 H SER A 52 106.878 7.053 17.928 1.00 0.75 H new ATOM 0 HA SER A 52 105.012 7.477 15.656 1.00 0.71 H new ATOM 0 HB2 SER A 52 107.621 8.940 16.109 1.00 0.82 H new ATOM 0 HB3 SER A 52 106.131 9.538 15.406 1.00 0.82 H new ATOM 0 HG SER A 52 106.438 10.295 17.591 1.00 1.56 H new ATOM 726 N ILE A 53 106.526 6.675 13.733 1.00 0.61 N ATOM 727 CA ILE A 53 107.369 5.985 12.709 1.00 0.61 C ATOM 728 C ILE A 53 107.425 6.843 11.443 1.00 0.57 C ATOM 729 O ILE A 53 106.480 6.910 10.682 1.00 0.65 O ATOM 730 CB ILE A 53 106.760 4.621 12.367 1.00 0.56 C ATOM 731 CG1 ILE A 53 106.519 3.821 13.654 1.00 0.64 C ATOM 732 CG2 ILE A 53 107.726 3.852 11.463 1.00 0.63 C ATOM 733 CD1 ILE A 53 105.719 2.557 13.329 1.00 0.64 C ATOM 0 H ILE A 53 105.652 7.067 13.382 1.00 0.61 H new ATOM 0 HA ILE A 53 108.374 5.841 13.106 1.00 0.61 H new ATOM 0 HB ILE A 53 105.810 4.767 11.853 1.00 0.56 H new ATOM 0 HG12 ILE A 53 107.471 3.553 14.112 1.00 0.64 H new ATOM 0 HG13 ILE A 53 105.978 4.431 14.377 1.00 0.64 H new ATOM 0 HG21 ILE A 53 107.298 2.880 11.216 1.00 0.63 H new ATOM 0 HG22 ILE A 53 107.895 4.417 10.547 1.00 0.63 H new ATOM 0 HG23 ILE A 53 108.674 3.710 11.981 1.00 0.63 H new ATOM 0 HD11 ILE A 53 105.548 1.989 14.244 1.00 0.64 H new ATOM 0 HD12 ILE A 53 104.761 2.836 12.891 1.00 0.64 H new ATOM 0 HD13 ILE A 53 106.278 1.945 12.621 1.00 0.64 H new ATOM 745 N ALA A 54 108.533 7.497 11.209 1.00 0.60 N ATOM 746 CA ALA A 54 108.670 8.351 9.994 1.00 0.57 C ATOM 747 C ALA A 54 109.409 7.560 8.918 1.00 0.54 C ATOM 748 O ALA A 54 110.601 7.343 9.001 1.00 0.63 O ATOM 749 CB ALA A 54 109.473 9.605 10.344 1.00 0.69 C ATOM 0 H ALA A 54 109.355 7.475 11.813 1.00 0.60 H new ATOM 0 HA ALA A 54 107.685 8.642 9.630 1.00 0.57 H new ATOM 0 HB1 ALA A 54 109.575 10.231 9.458 1.00 0.69 H new ATOM 0 HB2 ALA A 54 108.955 10.162 11.125 1.00 0.69 H new ATOM 0 HB3 ALA A 54 110.462 9.316 10.700 1.00 0.69 H new ATOM 755 N VAL A 55 108.705 7.123 7.910 1.00 0.45 N ATOM 756 CA VAL A 55 109.349 6.336 6.817 1.00 0.47 C ATOM 757 C VAL A 55 109.689 7.264 5.650 1.00 0.41 C ATOM 758 O VAL A 55 108.941 8.159 5.313 1.00 0.39 O ATOM 759 CB VAL A 55 108.372 5.248 6.332 1.00 0.47 C ATOM 760 CG1 VAL A 55 108.529 3.983 7.183 1.00 0.91 C ATOM 761 CG2 VAL A 55 106.933 5.762 6.454 1.00 0.79 C ATOM 0 H VAL A 55 107.703 7.278 7.795 1.00 0.45 H new ATOM 0 HA VAL A 55 110.262 5.873 7.191 1.00 0.47 H new ATOM 0 HB VAL A 55 108.594 5.011 5.291 1.00 0.47 H new ATOM 0 HG11 VAL A 55 107.834 3.220 6.832 1.00 0.91 H new ATOM 0 HG12 VAL A 55 109.550 3.611 7.097 1.00 0.91 H new ATOM 0 HG13 VAL A 55 108.315 4.217 8.226 1.00 0.91 H new ATOM 0 HG21 VAL A 55 106.241 4.992 6.111 1.00 0.79 H new ATOM 0 HG22 VAL A 55 106.720 6.003 7.495 1.00 0.79 H new ATOM 0 HG23 VAL A 55 106.813 6.656 5.843 1.00 0.79 H new ATOM 771 N GLU A 56 110.807 7.037 5.017 1.00 0.44 N ATOM 772 CA GLU A 56 111.203 7.878 3.851 1.00 0.40 C ATOM 773 C GLU A 56 111.861 6.969 2.806 1.00 0.43 C ATOM 774 O GLU A 56 112.565 6.035 3.135 1.00 0.52 O ATOM 775 CB GLU A 56 112.157 8.995 4.325 1.00 0.47 C ATOM 776 CG GLU A 56 113.059 9.466 3.172 1.00 0.49 C ATOM 777 CD GLU A 56 113.601 10.867 3.470 1.00 1.08 C ATOM 778 OE1 GLU A 56 112.840 11.682 3.966 1.00 1.71 O ATOM 779 OE2 GLU A 56 114.767 11.100 3.199 1.00 1.80 O ATOM 0 H GLU A 56 111.468 6.299 5.259 1.00 0.44 H new ATOM 0 HA GLU A 56 110.336 8.359 3.399 1.00 0.40 H new ATOM 0 HB2 GLU A 56 111.579 9.836 4.707 1.00 0.47 H new ATOM 0 HB3 GLU A 56 112.771 8.630 5.148 1.00 0.47 H new ATOM 0 HG2 GLU A 56 113.886 8.768 3.038 1.00 0.49 H new ATOM 0 HG3 GLU A 56 112.495 9.476 2.239 1.00 0.49 H new ATOM 786 N GLY A 57 111.620 7.225 1.548 1.00 0.41 N ATOM 787 CA GLY A 57 112.213 6.367 0.486 1.00 0.49 C ATOM 788 C GLY A 57 111.493 6.631 -0.847 1.00 0.45 C ATOM 789 O GLY A 57 110.678 7.527 -0.932 1.00 0.44 O ATOM 0 H GLY A 57 111.038 7.992 1.211 1.00 0.41 H new ATOM 0 HA2 GLY A 57 113.278 6.578 0.385 1.00 0.49 H new ATOM 0 HA3 GLY A 57 112.121 5.316 0.759 1.00 0.49 H new ATOM 793 N PRO A 58 111.824 5.855 -1.856 1.00 0.50 N ATOM 794 CA PRO A 58 111.218 6.013 -3.196 1.00 0.52 C ATOM 795 C PRO A 58 109.697 5.843 -3.164 1.00 0.54 C ATOM 796 O PRO A 58 108.995 6.374 -4.003 1.00 0.56 O ATOM 797 CB PRO A 58 111.878 4.922 -4.059 1.00 0.63 C ATOM 798 CG PRO A 58 112.981 4.243 -3.196 1.00 0.66 C ATOM 799 CD PRO A 58 112.831 4.777 -1.755 1.00 0.60 C ATOM 0 HA PRO A 58 111.386 7.015 -3.592 1.00 0.52 H new ATOM 0 HB2 PRO A 58 111.138 4.189 -4.381 1.00 0.63 H new ATOM 0 HB3 PRO A 58 112.310 5.356 -4.961 1.00 0.63 H new ATOM 0 HG2 PRO A 58 112.872 3.159 -3.217 1.00 0.66 H new ATOM 0 HG3 PRO A 58 113.972 4.472 -3.589 1.00 0.66 H new ATOM 0 HD2 PRO A 58 112.503 3.992 -1.074 1.00 0.60 H new ATOM 0 HD3 PRO A 58 113.779 5.155 -1.372 1.00 0.60 H new ATOM 807 N SER A 59 109.178 5.117 -2.218 1.00 0.56 N ATOM 808 CA SER A 59 107.689 4.928 -2.153 1.00 0.60 C ATOM 809 C SER A 59 107.217 4.918 -0.699 1.00 0.55 C ATOM 810 O SER A 59 108.003 4.864 0.224 1.00 0.55 O ATOM 811 CB SER A 59 107.309 3.608 -2.822 1.00 0.71 C ATOM 812 OG SER A 59 105.892 3.518 -2.898 1.00 1.55 O ATOM 0 H SER A 59 109.709 4.645 -1.487 1.00 0.56 H new ATOM 0 HA SER A 59 107.207 5.755 -2.675 1.00 0.60 H new ATOM 0 HB2 SER A 59 107.744 3.553 -3.820 1.00 0.71 H new ATOM 0 HB3 SER A 59 107.709 2.769 -2.253 1.00 0.71 H new ATOM 0 HG SER A 59 105.625 3.341 -3.824 1.00 1.55 H new ATOM 818 N LYS A 60 105.927 4.979 -0.495 1.00 0.59 N ATOM 819 CA LYS A 60 105.384 4.983 0.892 1.00 0.57 C ATOM 820 C LYS A 60 105.332 3.553 1.431 1.00 0.63 C ATOM 821 O LYS A 60 104.388 2.824 1.197 1.00 0.73 O ATOM 822 CB LYS A 60 103.971 5.576 0.879 1.00 0.63 C ATOM 823 CG LYS A 60 103.936 6.799 -0.041 1.00 1.23 C ATOM 824 CD LYS A 60 102.661 7.601 0.224 1.00 1.29 C ATOM 825 CE LYS A 60 102.534 8.716 -0.813 1.00 1.87 C ATOM 826 NZ LYS A 60 101.413 9.621 -0.433 1.00 2.53 N ATOM 0 H LYS A 60 105.225 5.026 -1.234 1.00 0.59 H new ATOM 0 HA LYS A 60 106.029 5.584 1.533 1.00 0.57 H new ATOM 0 HB2 LYS A 60 103.255 4.829 0.535 1.00 0.63 H new ATOM 0 HB3 LYS A 60 103.675 5.860 1.889 1.00 0.63 H new ATOM 0 HG2 LYS A 60 104.813 7.423 0.132 1.00 1.23 H new ATOM 0 HG3 LYS A 60 103.970 6.484 -1.084 1.00 1.23 H new ATOM 0 HD2 LYS A 60 101.791 6.946 0.178 1.00 1.29 H new ATOM 0 HD3 LYS A 60 102.688 8.025 1.228 1.00 1.29 H new ATOM 0 HE2 LYS A 60 103.465 9.279 -0.874 1.00 1.87 H new ATOM 0 HE3 LYS A 60 102.354 8.291 -1.800 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 101.326 10.380 -1.138 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 100.526 9.079 -0.396 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 101.604 10.036 0.501 1.00 2.53 H new ATOM 840 N ALA A 61 106.338 3.144 2.153 1.00 0.66 N ATOM 841 CA ALA A 61 106.339 1.763 2.706 1.00 0.76 C ATOM 842 C ALA A 61 105.176 1.605 3.689 1.00 0.77 C ATOM 843 O ALA A 61 105.118 2.271 4.703 1.00 0.78 O ATOM 844 CB ALA A 61 107.661 1.505 3.432 1.00 0.82 C ATOM 0 H ALA A 61 107.158 3.706 2.383 1.00 0.66 H new ATOM 0 HA ALA A 61 106.226 1.046 1.893 1.00 0.76 H new ATOM 0 HB1 ALA A 61 107.662 0.493 3.837 1.00 0.82 H new ATOM 0 HB2 ALA A 61 108.489 1.616 2.731 1.00 0.82 H new ATOM 0 HB3 ALA A 61 107.775 2.222 4.245 1.00 0.82 H new ATOM 850 N GLU A 62 104.248 0.731 3.400 1.00 0.88 N ATOM 851 CA GLU A 62 103.096 0.545 4.330 1.00 0.93 C ATOM 852 C GLU A 62 103.604 -0.044 5.646 1.00 0.96 C ATOM 853 O GLU A 62 104.730 -0.477 5.745 1.00 1.43 O ATOM 854 CB GLU A 62 102.057 -0.396 3.702 1.00 1.11 C ATOM 855 CG GLU A 62 100.708 -0.240 4.414 1.00 1.50 C ATOM 856 CD GLU A 62 99.640 -1.032 3.657 1.00 1.72 C ATOM 857 OE1 GLU A 62 99.760 -2.244 3.599 1.00 2.14 O ATOM 858 OE2 GLU A 62 98.721 -0.412 3.149 1.00 2.30 O ATOM 0 H GLU A 62 104.237 0.142 2.567 1.00 0.88 H new ATOM 0 HA GLU A 62 102.624 1.509 4.519 1.00 0.93 H new ATOM 0 HB2 GLU A 62 101.945 -0.171 2.641 1.00 1.11 H new ATOM 0 HB3 GLU A 62 102.399 -1.429 3.775 1.00 1.11 H new ATOM 0 HG2 GLU A 62 100.783 -0.598 5.441 1.00 1.50 H new ATOM 0 HG3 GLU A 62 100.430 0.813 4.463 1.00 1.50 H new ATOM 865 N ILE A 63 102.777 -0.058 6.657 1.00 0.97 N ATOM 866 CA ILE A 63 103.189 -0.610 7.982 1.00 0.94 C ATOM 867 C ILE A 63 102.006 -1.382 8.581 1.00 1.01 C ATOM 868 O ILE A 63 100.867 -1.121 8.247 1.00 1.06 O ATOM 869 CB ILE A 63 103.574 0.546 8.912 1.00 0.89 C ATOM 870 CG1 ILE A 63 104.587 1.451 8.198 1.00 1.06 C ATOM 871 CG2 ILE A 63 104.195 -0.015 10.196 1.00 1.28 C ATOM 872 CD1 ILE A 63 105.030 2.580 9.132 1.00 1.40 C ATOM 0 H ILE A 63 101.820 0.294 6.621 1.00 0.97 H new ATOM 0 HA ILE A 63 104.043 -1.276 7.864 1.00 0.94 H new ATOM 0 HB ILE A 63 102.686 1.124 9.167 1.00 0.89 H new ATOM 0 HG12 ILE A 63 105.452 0.866 7.885 1.00 1.06 H new ATOM 0 HG13 ILE A 63 104.141 1.869 7.295 1.00 1.06 H new ATOM 0 HG21 ILE A 63 104.469 0.807 10.857 1.00 1.28 H new ATOM 0 HG22 ILE A 63 103.473 -0.659 10.698 1.00 1.28 H new ATOM 0 HG23 ILE A 63 105.085 -0.592 9.947 1.00 1.28 H new ATOM 0 HD11 ILE A 63 105.749 3.217 8.617 1.00 1.40 H new ATOM 0 HD12 ILE A 63 104.163 3.173 9.423 1.00 1.40 H new ATOM 0 HD13 ILE A 63 105.494 2.155 10.022 1.00 1.40 H new ATOM 884 N ALA A 64 102.246 -2.331 9.461 1.00 1.04 N ATOM 885 CA ALA A 64 101.105 -3.095 10.057 1.00 1.13 C ATOM 886 C ALA A 64 101.432 -3.431 11.513 1.00 1.14 C ATOM 887 O ALA A 64 102.538 -3.234 11.961 1.00 1.36 O ATOM 888 CB ALA A 64 100.880 -4.387 9.260 1.00 1.26 C ATOM 0 H ALA A 64 103.173 -2.605 9.787 1.00 1.04 H new ATOM 0 HA ALA A 64 100.198 -2.492 10.019 1.00 1.13 H new ATOM 0 HB1 ALA A 64 100.049 -4.943 9.695 1.00 1.26 H new ATOM 0 HB2 ALA A 64 100.649 -4.140 8.224 1.00 1.26 H new ATOM 0 HB3 ALA A 64 101.782 -4.998 9.295 1.00 1.26 H new ATOM 894 N PHE A 65 100.480 -3.935 12.253 1.00 1.16 N ATOM 895 CA PHE A 65 100.742 -4.282 13.684 1.00 1.16 C ATOM 896 C PHE A 65 99.901 -5.498 14.076 1.00 1.28 C ATOM 897 O PHE A 65 98.687 -5.459 14.047 1.00 1.35 O ATOM 898 CB PHE A 65 100.363 -3.096 14.574 1.00 1.11 C ATOM 899 CG PHE A 65 98.922 -2.717 14.325 1.00 1.20 C ATOM 900 CD1 PHE A 65 98.589 -1.927 13.218 1.00 1.23 C ATOM 901 CD2 PHE A 65 97.920 -3.155 15.200 1.00 1.30 C ATOM 902 CE1 PHE A 65 97.254 -1.574 12.987 1.00 1.37 C ATOM 903 CE2 PHE A 65 96.586 -2.802 14.968 1.00 1.43 C ATOM 904 CZ PHE A 65 96.253 -2.011 13.862 1.00 1.47 C ATOM 0 H PHE A 65 99.531 -4.122 11.929 1.00 1.16 H new ATOM 0 HA PHE A 65 101.799 -4.512 13.813 1.00 1.16 H new ATOM 0 HB2 PHE A 65 100.506 -3.355 15.623 1.00 1.11 H new ATOM 0 HB3 PHE A 65 101.014 -2.248 14.364 1.00 1.11 H new ATOM 0 HD1 PHE A 65 99.362 -1.590 12.543 1.00 1.23 H new ATOM 0 HD2 PHE A 65 98.177 -3.765 16.053 1.00 1.30 H new ATOM 0 HE1 PHE A 65 96.997 -0.964 12.133 1.00 1.37 H new ATOM 0 HE2 PHE A 65 95.813 -3.140 15.642 1.00 1.43 H new ATOM 0 HZ PHE A 65 95.223 -1.738 13.684 1.00 1.47 H new ATOM 914 N GLU A 66 100.539 -6.580 14.442 1.00 1.35 N ATOM 915 CA GLU A 66 99.784 -7.808 14.839 1.00 1.50 C ATOM 916 C GLU A 66 100.488 -8.483 16.018 1.00 1.54 C ATOM 917 O GLU A 66 101.489 -9.151 15.855 1.00 1.61 O ATOM 918 CB GLU A 66 99.736 -8.777 13.655 1.00 1.62 C ATOM 919 CG GLU A 66 98.891 -9.997 14.027 1.00 1.80 C ATOM 920 CD GLU A 66 98.748 -10.910 12.808 1.00 1.94 C ATOM 921 OE1 GLU A 66 99.754 -11.176 12.171 1.00 2.51 O ATOM 922 OE2 GLU A 66 97.636 -11.327 12.532 1.00 2.01 O ATOM 0 H GLU A 66 101.554 -6.667 14.483 1.00 1.35 H new ATOM 0 HA GLU A 66 98.770 -7.533 15.131 1.00 1.50 H new ATOM 0 HB2 GLU A 66 99.312 -8.280 12.782 1.00 1.62 H new ATOM 0 HB3 GLU A 66 100.745 -9.089 13.386 1.00 1.62 H new ATOM 0 HG2 GLU A 66 99.359 -10.540 14.848 1.00 1.80 H new ATOM 0 HG3 GLU A 66 97.908 -9.679 14.374 1.00 1.80 H new ATOM 1006 N SER A 72 105.442 -9.594 21.895 1.00 1.78 N ATOM 1007 CA SER A 72 106.347 -9.188 20.777 1.00 1.72 C ATOM 1008 C SER A 72 105.520 -8.467 19.712 1.00 1.60 C ATOM 1009 O SER A 72 104.718 -9.068 19.026 1.00 1.64 O ATOM 1010 CB SER A 72 106.991 -10.433 20.165 1.00 1.82 C ATOM 1011 OG SER A 72 106.087 -11.023 19.241 1.00 2.20 O ATOM 0 HA SER A 72 107.128 -8.527 21.152 1.00 1.72 H new ATOM 0 HB2 SER A 72 107.920 -10.166 19.662 1.00 1.82 H new ATOM 0 HB3 SER A 72 107.246 -11.147 20.948 1.00 1.82 H new ATOM 0 HG SER A 72 105.178 -10.706 19.424 1.00 2.20 H new ATOM 1017 N CYS A 73 105.699 -7.182 19.572 1.00 1.50 N ATOM 1018 CA CYS A 73 104.908 -6.433 18.552 1.00 1.40 C ATOM 1019 C CYS A 73 105.517 -6.659 17.165 1.00 1.37 C ATOM 1020 O CYS A 73 106.634 -6.265 16.894 1.00 1.39 O ATOM 1021 CB CYS A 73 104.913 -4.937 18.891 1.00 1.31 C ATOM 1022 SG CYS A 73 104.817 -4.729 20.687 1.00 2.05 S ATOM 0 H CYS A 73 106.354 -6.620 20.116 1.00 1.50 H new ATOM 0 HA CYS A 73 103.879 -6.793 18.553 1.00 1.40 H new ATOM 0 HB2 CYS A 73 105.819 -4.469 18.507 1.00 1.31 H new ATOM 0 HB3 CYS A 73 104.070 -4.441 18.410 1.00 1.31 H new ATOM 0 HG CYS A 73 106.012 -4.789 21.195 1.00 2.05 H new ATOM 1028 N GLY A 74 104.789 -7.296 16.286 1.00 1.39 N ATOM 1029 CA GLY A 74 105.319 -7.559 14.914 1.00 1.38 C ATOM 1030 C GLY A 74 104.877 -6.447 13.963 1.00 1.28 C ATOM 1031 O GLY A 74 103.706 -6.281 13.682 1.00 1.26 O ATOM 0 H GLY A 74 103.847 -7.647 16.459 1.00 1.39 H new ATOM 0 HA2 GLY A 74 106.407 -7.616 14.940 1.00 1.38 H new ATOM 0 HA3 GLY A 74 104.958 -8.522 14.554 1.00 1.38 H new ATOM 1035 N VAL A 75 105.811 -5.687 13.461 1.00 1.25 N ATOM 1036 CA VAL A 75 105.466 -4.579 12.516 1.00 1.16 C ATOM 1037 C VAL A 75 105.689 -5.046 11.083 1.00 1.20 C ATOM 1038 O VAL A 75 106.808 -5.199 10.636 1.00 1.25 O ATOM 1039 CB VAL A 75 106.363 -3.375 12.798 1.00 1.11 C ATOM 1040 CG1 VAL A 75 106.086 -2.280 11.766 1.00 1.31 C ATOM 1041 CG2 VAL A 75 106.071 -2.839 14.203 1.00 1.57 C ATOM 0 H VAL A 75 106.806 -5.784 13.664 1.00 1.25 H new ATOM 0 HA VAL A 75 104.421 -4.299 12.651 1.00 1.16 H new ATOM 0 HB VAL A 75 107.408 -3.677 12.735 1.00 1.11 H new ATOM 0 HG11 VAL A 75 106.726 -1.421 11.967 1.00 1.31 H new ATOM 0 HG12 VAL A 75 106.294 -2.661 10.766 1.00 1.31 H new ATOM 0 HG13 VAL A 75 105.041 -1.977 11.829 1.00 1.31 H new ATOM 0 HG21 VAL A 75 106.711 -1.980 14.405 1.00 1.57 H new ATOM 0 HG22 VAL A 75 105.026 -2.536 14.267 1.00 1.57 H new ATOM 0 HG23 VAL A 75 106.268 -3.619 14.938 1.00 1.57 H new ATOM 1051 N SER A 76 104.630 -5.262 10.350 1.00 1.22 N ATOM 1052 CA SER A 76 104.785 -5.706 8.935 1.00 1.29 C ATOM 1053 C SER A 76 104.863 -4.465 8.050 1.00 1.19 C ATOM 1054 O SER A 76 104.574 -3.378 8.492 1.00 1.20 O ATOM 1055 CB SER A 76 103.586 -6.581 8.527 1.00 1.40 C ATOM 1056 OG SER A 76 102.703 -5.833 7.698 1.00 1.85 O ATOM 0 H SER A 76 103.667 -5.151 10.669 1.00 1.22 H new ATOM 0 HA SER A 76 105.693 -6.298 8.821 1.00 1.29 H new ATOM 0 HB2 SER A 76 103.935 -7.467 7.996 1.00 1.40 H new ATOM 0 HB3 SER A 76 103.059 -6.928 9.415 1.00 1.40 H new ATOM 0 HG SER A 76 101.942 -6.394 7.440 1.00 1.85 H new ATOM 1062 N TYR A 77 105.262 -4.609 6.816 1.00 1.21 N ATOM 1063 CA TYR A 77 105.362 -3.411 5.931 1.00 1.12 C ATOM 1064 C TYR A 77 105.458 -3.857 4.469 1.00 1.20 C ATOM 1065 O TYR A 77 105.590 -5.031 4.182 1.00 1.43 O ATOM 1066 CB TYR A 77 106.624 -2.624 6.302 1.00 1.07 C ATOM 1067 CG TYR A 77 107.844 -3.466 6.003 1.00 1.14 C ATOM 1068 CD1 TYR A 77 108.145 -4.574 6.803 1.00 1.33 C ATOM 1069 CD2 TYR A 77 108.670 -3.142 4.919 1.00 1.18 C ATOM 1070 CE1 TYR A 77 109.270 -5.357 6.520 1.00 1.47 C ATOM 1071 CE2 TYR A 77 109.793 -3.925 4.635 1.00 1.28 C ATOM 1072 CZ TYR A 77 110.094 -5.032 5.435 1.00 1.39 C ATOM 1073 OH TYR A 77 111.201 -5.803 5.152 1.00 1.54 O ATOM 0 H TYR A 77 105.521 -5.496 6.384 1.00 1.21 H new ATOM 0 HA TYR A 77 104.479 -2.785 6.060 1.00 1.12 H new ATOM 0 HB2 TYR A 77 106.664 -1.692 5.738 1.00 1.07 H new ATOM 0 HB3 TYR A 77 106.602 -2.357 7.359 1.00 1.07 H new ATOM 0 HD1 TYR A 77 107.509 -4.825 7.639 1.00 1.33 H new ATOM 0 HD2 TYR A 77 108.439 -2.286 4.302 1.00 1.18 H new ATOM 0 HE1 TYR A 77 109.503 -6.212 7.138 1.00 1.47 H new ATOM 0 HE2 TYR A 77 110.428 -3.675 3.798 1.00 1.28 H new ATOM 0 HH TYR A 77 111.661 -5.439 4.367 1.00 1.54 H new ATOM 1083 N VAL A 78 105.399 -2.932 3.536 1.00 1.13 N ATOM 1084 CA VAL A 78 105.498 -3.323 2.087 1.00 1.21 C ATOM 1085 C VAL A 78 106.308 -2.280 1.306 1.00 1.14 C ATOM 1086 O VAL A 78 105.947 -1.128 1.226 1.00 1.11 O ATOM 1087 CB VAL A 78 104.084 -3.462 1.489 1.00 1.29 C ATOM 1088 CG1 VAL A 78 103.500 -2.082 1.157 1.00 1.81 C ATOM 1089 CG2 VAL A 78 104.149 -4.308 0.211 1.00 1.90 C ATOM 0 H VAL A 78 105.288 -1.933 3.711 1.00 1.13 H new ATOM 0 HA VAL A 78 106.012 -4.282 2.012 1.00 1.21 H new ATOM 0 HB VAL A 78 103.441 -3.948 2.223 1.00 1.29 H new ATOM 0 HG11 VAL A 78 102.502 -2.201 0.736 1.00 1.81 H new ATOM 0 HG12 VAL A 78 103.441 -1.483 2.066 1.00 1.81 H new ATOM 0 HG13 VAL A 78 104.142 -1.580 0.433 1.00 1.81 H new ATOM 0 HG21 VAL A 78 103.149 -4.406 -0.212 1.00 1.90 H new ATOM 0 HG22 VAL A 78 104.803 -3.823 -0.514 1.00 1.90 H new ATOM 0 HG23 VAL A 78 104.541 -5.297 0.449 1.00 1.90 H new ATOM 1099 N VAL A 79 107.404 -2.688 0.722 1.00 1.17 N ATOM 1100 CA VAL A 79 108.245 -1.735 -0.064 1.00 1.11 C ATOM 1101 C VAL A 79 107.858 -1.824 -1.540 1.00 1.15 C ATOM 1102 O VAL A 79 107.480 -2.870 -2.028 1.00 1.24 O ATOM 1103 CB VAL A 79 109.717 -2.115 0.102 1.00 1.14 C ATOM 1104 CG1 VAL A 79 110.193 -1.731 1.517 1.00 1.13 C ATOM 1105 CG2 VAL A 79 109.870 -3.628 -0.107 1.00 1.27 C ATOM 0 H VAL A 79 107.755 -3.645 0.755 1.00 1.17 H new ATOM 0 HA VAL A 79 108.087 -0.717 0.293 1.00 1.11 H new ATOM 0 HB VAL A 79 110.321 -1.583 -0.632 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.242 -2.002 1.634 1.00 1.13 H new ATOM 0 HG12 VAL A 79 110.078 -0.657 1.661 1.00 1.13 H new ATOM 0 HG13 VAL A 79 109.596 -2.262 2.258 1.00 1.13 H new ATOM 0 HG21 VAL A 79 110.917 -3.907 0.010 1.00 1.27 H new ATOM 0 HG22 VAL A 79 109.268 -4.160 0.630 1.00 1.27 H new ATOM 0 HG23 VAL A 79 109.533 -3.893 -1.109 1.00 1.27 H new ATOM 1115 N GLN A 80 107.937 -0.735 -2.257 1.00 1.10 N ATOM 1116 CA GLN A 80 107.555 -0.761 -3.701 1.00 1.15 C ATOM 1117 C GLN A 80 108.770 -1.096 -4.574 1.00 1.17 C ATOM 1118 O GLN A 80 108.689 -1.927 -5.457 1.00 1.25 O ATOM 1119 CB GLN A 80 106.998 0.610 -4.101 1.00 1.11 C ATOM 1120 CG GLN A 80 106.144 0.474 -5.367 1.00 1.18 C ATOM 1121 CD GLN A 80 105.779 1.864 -5.892 1.00 1.80 C ATOM 1122 OE1 GLN A 80 105.553 2.776 -5.123 1.00 2.47 O ATOM 1123 NE2 GLN A 80 105.711 2.064 -7.180 1.00 2.48 N ATOM 0 H GLN A 80 108.249 0.171 -1.907 1.00 1.10 H new ATOM 0 HA GLN A 80 106.796 -1.529 -3.852 1.00 1.15 H new ATOM 0 HB2 GLN A 80 106.398 1.020 -3.289 1.00 1.11 H new ATOM 0 HB3 GLN A 80 107.816 1.308 -4.277 1.00 1.11 H new ATOM 0 HG2 GLN A 80 106.691 -0.081 -6.129 1.00 1.18 H new ATOM 0 HG3 GLN A 80 105.239 -0.092 -5.148 1.00 1.18 H new ATOM 0 HE21 GLN A 80 105.901 1.298 -7.826 1.00 2.48 H new ATOM 0 HE22 GLN A 80 105.468 2.987 -7.541 1.00 2.48 H new ATOM 1132 N GLU A 81 109.896 -0.456 -4.357 1.00 1.11 N ATOM 1133 CA GLU A 81 111.093 -0.762 -5.214 1.00 1.13 C ATOM 1134 C GLU A 81 112.406 -0.406 -4.476 1.00 1.07 C ATOM 1135 O GLU A 81 112.410 0.440 -3.604 1.00 0.98 O ATOM 1136 CB GLU A 81 111.018 0.010 -6.562 1.00 1.11 C ATOM 1137 CG GLU A 81 109.862 1.001 -6.536 1.00 1.43 C ATOM 1138 CD GLU A 81 109.988 1.971 -7.714 1.00 1.37 C ATOM 1139 OE1 GLU A 81 109.917 1.514 -8.843 1.00 1.65 O ATOM 1140 OE2 GLU A 81 110.153 3.154 -7.466 1.00 1.92 O ATOM 0 H GLU A 81 110.040 0.253 -3.638 1.00 1.11 H new ATOM 0 HA GLU A 81 111.088 -1.832 -5.421 1.00 1.13 H new ATOM 0 HB2 GLU A 81 111.955 0.538 -6.740 1.00 1.11 H new ATOM 0 HB3 GLU A 81 110.886 -0.692 -7.385 1.00 1.11 H new ATOM 0 HG2 GLU A 81 108.912 0.469 -6.591 1.00 1.43 H new ATOM 0 HG3 GLU A 81 109.864 1.553 -5.596 1.00 1.43 H new ATOM 1147 N PRO A 82 113.493 -1.058 -4.869 1.00 1.14 N ATOM 1148 CA PRO A 82 114.826 -0.828 -4.290 1.00 1.14 C ATOM 1149 C PRO A 82 115.081 0.624 -3.929 1.00 1.00 C ATOM 1150 O PRO A 82 114.530 1.543 -4.501 1.00 0.91 O ATOM 1151 CB PRO A 82 115.780 -1.324 -5.374 1.00 1.23 C ATOM 1152 CG PRO A 82 114.996 -2.418 -6.118 1.00 1.30 C ATOM 1153 CD PRO A 82 113.503 -2.097 -5.921 1.00 1.26 C ATOM 0 HA PRO A 82 114.950 -1.349 -3.341 1.00 1.14 H new ATOM 0 HB2 PRO A 82 116.068 -0.516 -6.047 1.00 1.23 H new ATOM 0 HB3 PRO A 82 116.698 -1.721 -4.941 1.00 1.23 H new ATOM 0 HG2 PRO A 82 115.254 -2.428 -7.177 1.00 1.30 H new ATOM 0 HG3 PRO A 82 115.236 -3.405 -5.722 1.00 1.30 H new ATOM 0 HD2 PRO A 82 113.048 -1.735 -6.843 1.00 1.26 H new ATOM 0 HD3 PRO A 82 112.943 -2.980 -5.614 1.00 1.26 H new ATOM 1161 N GLY A 83 115.932 0.814 -2.963 1.00 0.99 N ATOM 1162 CA GLY A 83 116.272 2.188 -2.508 1.00 0.89 C ATOM 1163 C GLY A 83 116.685 2.144 -1.038 1.00 0.92 C ATOM 1164 O GLY A 83 116.332 1.240 -0.307 1.00 1.02 O ATOM 0 H GLY A 83 116.413 0.066 -2.463 1.00 0.99 H new ATOM 0 HA2 GLY A 83 117.082 2.594 -3.113 1.00 0.89 H new ATOM 0 HA3 GLY A 83 115.415 2.849 -2.637 1.00 0.89 H new ATOM 1168 N ASP A 84 117.416 3.126 -0.598 1.00 0.87 N ATOM 1169 CA ASP A 84 117.845 3.173 0.823 1.00 0.93 C ATOM 1170 C ASP A 84 116.706 3.781 1.629 1.00 0.83 C ATOM 1171 O ASP A 84 116.613 4.980 1.798 1.00 0.76 O ATOM 1172 CB ASP A 84 119.108 4.035 0.960 1.00 0.98 C ATOM 1173 CG ASP A 84 120.017 3.801 -0.248 1.00 1.39 C ATOM 1174 OD1 ASP A 84 119.556 4.000 -1.360 1.00 2.13 O ATOM 1175 OD2 ASP A 84 121.160 3.427 -0.040 1.00 2.06 O ATOM 0 H ASP A 84 117.738 3.907 -1.170 1.00 0.87 H new ATOM 0 HA ASP A 84 118.076 2.172 1.187 1.00 0.93 H new ATOM 0 HB2 ASP A 84 118.837 5.089 1.026 1.00 0.98 H new ATOM 0 HB3 ASP A 84 119.635 3.783 1.880 1.00 0.98 H new ATOM 1180 N TYR A 85 115.833 2.957 2.111 1.00 0.84 N ATOM 1181 CA TYR A 85 114.681 3.451 2.894 1.00 0.76 C ATOM 1182 C TYR A 85 115.188 3.894 4.263 1.00 0.80 C ATOM 1183 O TYR A 85 116.224 3.453 4.720 1.00 0.92 O ATOM 1184 CB TYR A 85 113.675 2.292 3.027 1.00 0.80 C ATOM 1185 CG TYR A 85 112.499 2.485 2.093 1.00 0.73 C ATOM 1186 CD1 TYR A 85 111.470 3.368 2.434 1.00 0.64 C ATOM 1187 CD2 TYR A 85 112.440 1.770 0.890 1.00 0.78 C ATOM 1188 CE1 TYR A 85 110.381 3.538 1.571 1.00 0.61 C ATOM 1189 CE2 TYR A 85 111.354 1.937 0.029 1.00 0.75 C ATOM 1190 CZ TYR A 85 110.323 2.821 0.368 1.00 0.67 C ATOM 1191 OH TYR A 85 109.249 2.986 -0.482 1.00 0.68 O ATOM 0 H TYR A 85 115.869 1.944 1.994 1.00 0.84 H new ATOM 0 HA TYR A 85 114.193 4.298 2.411 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.171 1.348 2.803 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.321 2.230 4.056 1.00 0.80 H new ATOM 0 HD1 TYR A 85 111.515 3.918 3.362 1.00 0.64 H new ATOM 0 HD2 TYR A 85 113.236 1.089 0.628 1.00 0.78 H new ATOM 0 HE1 TYR A 85 109.586 4.221 1.832 1.00 0.61 H new ATOM 0 HE2 TYR A 85 111.309 1.385 -0.898 1.00 0.75 H new ATOM 0 HH TYR A 85 108.440 3.162 0.043 1.00 0.68 H new ATOM 1201 N GLU A 86 114.476 4.772 4.914 1.00 0.73 N ATOM 1202 CA GLU A 86 114.920 5.262 6.255 1.00 0.78 C ATOM 1203 C GLU A 86 113.704 5.356 7.189 1.00 0.74 C ATOM 1204 O GLU A 86 112.755 6.063 6.912 1.00 0.68 O ATOM 1205 CB GLU A 86 115.595 6.655 6.110 1.00 0.78 C ATOM 1206 CG GLU A 86 115.240 7.287 4.748 1.00 0.72 C ATOM 1207 CD GLU A 86 116.206 6.786 3.668 1.00 0.85 C ATOM 1208 OE1 GLU A 86 116.961 5.871 3.954 1.00 1.53 O ATOM 1209 OE2 GLU A 86 116.173 7.327 2.575 1.00 1.26 O ATOM 0 H GLU A 86 113.602 5.174 4.576 1.00 0.73 H new ATOM 0 HA GLU A 86 115.644 4.566 6.678 1.00 0.78 H new ATOM 0 HB2 GLU A 86 115.269 7.310 6.918 1.00 0.78 H new ATOM 0 HB3 GLU A 86 116.677 6.553 6.200 1.00 0.78 H new ATOM 0 HG2 GLU A 86 114.215 7.033 4.477 1.00 0.72 H new ATOM 0 HG3 GLU A 86 115.292 8.374 4.818 1.00 0.72 H new ATOM 1216 N VAL A 87 113.731 4.643 8.293 1.00 0.81 N ATOM 1217 CA VAL A 87 112.588 4.676 9.259 1.00 0.78 C ATOM 1218 C VAL A 87 113.087 5.155 10.628 1.00 0.86 C ATOM 1219 O VAL A 87 114.209 4.893 11.014 1.00 0.99 O ATOM 1220 CB VAL A 87 112.014 3.264 9.385 1.00 0.84 C ATOM 1221 CG1 VAL A 87 113.015 2.356 10.103 1.00 1.00 C ATOM 1222 CG2 VAL A 87 110.708 3.310 10.180 1.00 0.83 C ATOM 0 H VAL A 87 114.503 4.035 8.566 1.00 0.81 H new ATOM 0 HA VAL A 87 111.817 5.360 8.903 1.00 0.78 H new ATOM 0 HB VAL A 87 111.821 2.868 8.388 1.00 0.84 H new ATOM 0 HG11 VAL A 87 112.599 1.352 10.189 1.00 1.00 H new ATOM 0 HG12 VAL A 87 113.944 2.316 9.534 1.00 1.00 H new ATOM 0 HG13 VAL A 87 113.216 2.752 11.098 1.00 1.00 H new ATOM 0 HG21 VAL A 87 110.300 2.303 10.269 1.00 0.83 H new ATOM 0 HG22 VAL A 87 110.901 3.712 11.174 1.00 0.83 H new ATOM 0 HG23 VAL A 87 109.990 3.948 9.664 1.00 0.83 H new ATOM 1232 N SER A 88 112.257 5.855 11.363 1.00 0.81 N ATOM 1233 CA SER A 88 112.665 6.360 12.716 1.00 0.91 C ATOM 1234 C SER A 88 111.594 5.990 13.737 1.00 0.87 C ATOM 1235 O SER A 88 110.518 6.553 13.755 1.00 0.84 O ATOM 1236 CB SER A 88 112.818 7.881 12.667 1.00 0.94 C ATOM 1237 OG SER A 88 111.537 8.476 12.510 1.00 1.59 O ATOM 0 H SER A 88 111.307 6.101 11.083 1.00 0.81 H new ATOM 0 HA SER A 88 113.615 5.909 13.003 1.00 0.91 H new ATOM 0 HB2 SER A 88 113.289 8.240 13.582 1.00 0.94 H new ATOM 0 HB3 SER A 88 113.468 8.166 11.840 1.00 0.94 H new ATOM 0 HG SER A 88 110.929 8.129 13.195 1.00 1.59 H new ATOM 1243 N ILE A 89 111.885 5.036 14.586 1.00 0.99 N ATOM 1244 CA ILE A 89 110.895 4.599 15.616 1.00 0.98 C ATOM 1245 C ILE A 89 111.317 5.113 16.999 1.00 1.08 C ATOM 1246 O ILE A 89 112.446 4.951 17.417 1.00 1.20 O ATOM 1247 CB ILE A 89 110.827 3.063 15.614 1.00 1.03 C ATOM 1248 CG1 ILE A 89 112.009 2.481 16.414 1.00 1.19 C ATOM 1249 CG2 ILE A 89 110.880 2.565 14.164 1.00 1.00 C ATOM 1250 CD1 ILE A 89 112.195 0.992 16.096 1.00 1.29 C ATOM 0 H ILE A 89 112.774 4.537 14.609 1.00 0.99 H new ATOM 0 HA ILE A 89 109.912 5.008 15.384 1.00 0.98 H new ATOM 0 HB ILE A 89 109.898 2.737 16.081 1.00 1.03 H new ATOM 0 HG12 ILE A 89 112.922 3.027 16.174 1.00 1.19 H new ATOM 0 HG13 ILE A 89 111.832 2.611 17.482 1.00 1.19 H new ATOM 0 HG21 ILE A 89 110.832 1.476 14.151 1.00 1.00 H new ATOM 0 HG22 ILE A 89 110.035 2.972 13.609 1.00 1.00 H new ATOM 0 HG23 ILE A 89 111.810 2.893 13.700 1.00 1.00 H new ATOM 0 HD11 ILE A 89 113.034 0.599 16.670 1.00 1.29 H new ATOM 0 HD12 ILE A 89 111.288 0.448 16.360 1.00 1.29 H new ATOM 0 HD13 ILE A 89 112.395 0.870 15.032 1.00 1.29 H new ATOM 1262 N LYS A 90 110.408 5.721 17.712 1.00 1.05 N ATOM 1263 CA LYS A 90 110.723 6.241 19.074 1.00 1.16 C ATOM 1264 C LYS A 90 109.577 5.895 20.008 1.00 1.11 C ATOM 1265 O LYS A 90 108.452 6.292 19.783 1.00 1.01 O ATOM 1266 CB LYS A 90 110.841 7.763 19.035 1.00 1.22 C ATOM 1267 CG LYS A 90 109.493 8.380 18.587 1.00 1.15 C ATOM 1268 CD LYS A 90 109.751 9.669 17.790 1.00 1.34 C ATOM 1269 CE LYS A 90 110.383 9.318 16.429 1.00 1.04 C ATOM 1270 NZ LYS A 90 111.840 9.627 16.471 1.00 1.58 N ATOM 0 H LYS A 90 109.449 5.882 17.405 1.00 1.05 H new ATOM 0 HA LYS A 90 111.659 5.798 19.415 1.00 1.16 H new ATOM 0 HB2 LYS A 90 111.116 8.141 20.020 1.00 1.22 H new ATOM 0 HB3 LYS A 90 111.634 8.058 18.347 1.00 1.22 H new ATOM 0 HG2 LYS A 90 108.942 7.667 17.974 1.00 1.15 H new ATOM 0 HG3 LYS A 90 108.875 8.597 19.458 1.00 1.15 H new ATOM 0 HD2 LYS A 90 108.816 10.209 17.640 1.00 1.34 H new ATOM 0 HD3 LYS A 90 110.413 10.329 18.351 1.00 1.34 H new ATOM 0 HE2 LYS A 90 110.229 8.262 16.205 1.00 1.04 H new ATOM 0 HE3 LYS A 90 109.901 9.886 15.633 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 112.046 10.415 15.825 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 112.111 9.893 17.439 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 112.381 8.789 16.178 1.00 1.58 H new ATOM 1284 N PHE A 91 109.840 5.196 21.071 1.00 1.21 N ATOM 1285 CA PHE A 91 108.731 4.882 22.013 1.00 1.18 C ATOM 1286 C PHE A 91 108.498 6.114 22.889 1.00 1.22 C ATOM 1287 O PHE A 91 109.292 6.440 23.738 1.00 1.34 O ATOM 1288 CB PHE A 91 109.086 3.668 22.880 1.00 1.29 C ATOM 1289 CG PHE A 91 107.943 3.388 23.832 1.00 1.24 C ATOM 1290 CD1 PHE A 91 106.692 3.012 23.326 1.00 1.19 C ATOM 1291 CD2 PHE A 91 108.128 3.511 25.218 1.00 1.32 C ATOM 1292 CE1 PHE A 91 105.629 2.763 24.198 1.00 1.22 C ATOM 1293 CE2 PHE A 91 107.061 3.257 26.092 1.00 1.29 C ATOM 1294 CZ PHE A 91 105.812 2.884 25.579 1.00 1.24 C ATOM 0 H PHE A 91 110.758 4.832 21.328 1.00 1.21 H new ATOM 0 HA PHE A 91 107.826 4.635 21.458 1.00 1.18 H new ATOM 0 HB2 PHE A 91 109.273 2.798 22.250 1.00 1.29 H new ATOM 0 HB3 PHE A 91 110.002 3.860 23.439 1.00 1.29 H new ATOM 0 HD1 PHE A 91 106.549 2.914 22.260 1.00 1.19 H new ATOM 0 HD2 PHE A 91 109.091 3.801 25.611 1.00 1.32 H new ATOM 0 HE1 PHE A 91 104.665 2.477 23.805 1.00 1.22 H new ATOM 0 HE2 PHE A 91 107.202 3.349 27.159 1.00 1.29 H new ATOM 0 HZ PHE A 91 104.989 2.690 26.251 1.00 1.24 H new ATOM 1304 N ASN A 92 107.425 6.815 22.657 1.00 1.15 N ATOM 1305 CA ASN A 92 107.129 8.052 23.440 1.00 1.23 C ATOM 1306 C ASN A 92 108.242 9.093 23.218 1.00 1.32 C ATOM 1307 O ASN A 92 108.538 9.887 24.081 1.00 1.42 O ATOM 1308 CB ASN A 92 106.937 7.714 24.942 1.00 1.32 C ATOM 1309 CG ASN A 92 108.265 7.711 25.718 1.00 1.74 C ATOM 1310 OD1 ASN A 92 108.801 8.750 26.044 1.00 2.32 O ATOM 1311 ND2 ASN A 92 108.805 6.572 26.057 1.00 2.24 N ATOM 0 H ASN A 92 106.729 6.582 21.949 1.00 1.15 H new ATOM 0 HA ASN A 92 106.193 8.486 23.088 1.00 1.23 H new ATOM 0 HB2 ASN A 92 106.259 8.440 25.391 1.00 1.32 H new ATOM 0 HB3 ASN A 92 106.464 6.736 25.034 1.00 1.32 H new ATOM 0 HD21 ASN A 92 109.673 6.558 26.593 1.00 2.24 H new ATOM 0 HD22 ASN A 92 108.359 5.696 25.786 1.00 2.24 H new ATOM 1318 N ASP A 93 108.824 9.110 22.034 1.00 1.28 N ATOM 1319 CA ASP A 93 109.896 10.111 21.691 1.00 1.37 C ATOM 1320 C ASP A 93 111.288 9.638 22.117 1.00 1.45 C ATOM 1321 O ASP A 93 112.214 10.425 22.153 1.00 1.53 O ATOM 1322 CB ASP A 93 109.617 11.481 22.320 1.00 1.46 C ATOM 1323 CG ASP A 93 108.117 11.783 22.280 1.00 1.46 C ATOM 1324 OD1 ASP A 93 107.560 11.781 21.194 1.00 1.92 O ATOM 1325 OD2 ASP A 93 107.550 12.011 23.337 1.00 1.83 O ATOM 0 H ASP A 93 108.597 8.462 21.280 1.00 1.28 H new ATOM 0 HA ASP A 93 109.877 10.206 20.605 1.00 1.37 H new ATOM 0 HB2 ASP A 93 109.971 11.495 23.351 1.00 1.46 H new ATOM 0 HB3 ASP A 93 110.166 12.255 21.783 1.00 1.46 H new ATOM 1330 N GLU A 94 111.474 8.369 22.391 1.00 1.43 N ATOM 1331 CA GLU A 94 112.843 7.880 22.755 1.00 1.53 C ATOM 1332 C GLU A 94 113.412 7.188 21.523 1.00 1.52 C ATOM 1333 O GLU A 94 113.090 6.052 21.229 1.00 1.48 O ATOM 1334 CB GLU A 94 112.787 6.905 23.945 1.00 1.56 C ATOM 1335 CG GLU A 94 111.910 5.674 23.620 1.00 1.95 C ATOM 1336 CD GLU A 94 112.779 4.450 23.316 1.00 1.88 C ATOM 1337 OE1 GLU A 94 113.892 4.639 22.869 1.00 2.24 O ATOM 1338 OE2 GLU A 94 112.308 3.345 23.532 1.00 2.25 O ATOM 0 H GLU A 94 110.745 7.656 22.379 1.00 1.43 H new ATOM 0 HA GLU A 94 113.475 8.714 23.060 1.00 1.53 H new ATOM 0 HB2 GLU A 94 113.796 6.579 24.199 1.00 1.56 H new ATOM 0 HB3 GLU A 94 112.388 7.418 24.820 1.00 1.56 H new ATOM 0 HG2 GLU A 94 111.252 5.458 24.462 1.00 1.95 H new ATOM 0 HG3 GLU A 94 111.271 5.893 22.765 1.00 1.95 H new ATOM 1345 N HIS A 95 114.232 7.887 20.780 1.00 1.59 N ATOM 1346 CA HIS A 95 114.815 7.300 19.544 1.00 1.59 C ATOM 1347 C HIS A 95 115.789 6.193 19.928 1.00 1.71 C ATOM 1348 O HIS A 95 116.875 6.444 20.412 1.00 1.86 O ATOM 1349 CB HIS A 95 115.555 8.385 18.760 1.00 1.65 C ATOM 1350 CG HIS A 95 116.670 8.941 19.602 1.00 1.94 C ATOM 1351 ND1 HIS A 95 116.438 9.829 20.641 1.00 2.24 N ATOM 1352 CD2 HIS A 95 118.028 8.744 19.573 1.00 2.62 C ATOM 1353 CE1 HIS A 95 117.629 10.130 21.189 1.00 2.68 C ATOM 1354 NE2 HIS A 95 118.632 9.496 20.576 1.00 2.88 N ATOM 0 H HIS A 95 114.522 8.844 20.981 1.00 1.59 H new ATOM 0 HA HIS A 95 114.019 6.889 18.923 1.00 1.59 H new ATOM 0 HB2 HIS A 95 115.956 7.971 17.835 1.00 1.65 H new ATOM 0 HB3 HIS A 95 114.865 9.181 18.480 1.00 1.65 H new ATOM 0 HD2 HIS A 95 118.549 8.103 18.877 1.00 2.62 H new ATOM 0 HE1 HIS A 95 117.759 10.803 22.024 1.00 2.68 H new ATOM 0 HE2 HIS A 95 119.627 9.551 20.796 1.00 2.88 H new ATOM 1362 N ILE A 96 115.406 4.968 19.722 1.00 1.67 N ATOM 1363 CA ILE A 96 116.311 3.840 20.085 1.00 1.82 C ATOM 1364 C ILE A 96 117.637 3.998 19.297 1.00 1.88 C ATOM 1365 O ILE A 96 117.640 4.619 18.253 1.00 1.77 O ATOM 1366 CB ILE A 96 115.600 2.488 19.774 1.00 1.82 C ATOM 1367 CG1 ILE A 96 116.063 1.877 18.432 1.00 1.98 C ATOM 1368 CG2 ILE A 96 114.083 2.702 19.717 1.00 2.35 C ATOM 1369 CD1 ILE A 96 115.876 2.866 17.263 1.00 2.27 C ATOM 0 H ILE A 96 114.509 4.696 19.319 1.00 1.67 H new ATOM 0 HA ILE A 96 116.544 3.850 21.150 1.00 1.82 H new ATOM 0 HB ILE A 96 115.865 1.796 20.573 1.00 1.82 H new ATOM 0 HG12 ILE A 96 117.113 1.592 18.504 1.00 1.98 H new ATOM 0 HG13 ILE A 96 115.499 0.966 18.232 1.00 1.98 H new ATOM 0 HG21 ILE A 96 113.590 1.755 19.499 1.00 2.35 H new ATOM 0 HG22 ILE A 96 113.733 3.081 20.677 1.00 2.35 H new ATOM 0 HG23 ILE A 96 113.846 3.422 18.934 1.00 2.35 H new ATOM 0 HD11 ILE A 96 116.212 2.401 16.336 1.00 2.27 H new ATOM 0 HD12 ILE A 96 114.822 3.130 17.175 1.00 2.27 H new ATOM 0 HD13 ILE A 96 116.461 3.766 17.451 1.00 2.27 H new ATOM 1381 N PRO A 97 118.729 3.447 19.804 1.00 2.08 N ATOM 1382 CA PRO A 97 120.034 3.553 19.113 1.00 2.18 C ATOM 1383 C PRO A 97 119.965 2.839 17.751 1.00 2.06 C ATOM 1384 O PRO A 97 120.448 1.736 17.588 1.00 2.32 O ATOM 1385 CB PRO A 97 121.043 2.866 20.066 1.00 2.43 C ATOM 1386 CG PRO A 97 120.219 2.182 21.194 1.00 2.48 C ATOM 1387 CD PRO A 97 118.765 2.691 21.077 1.00 2.25 C ATOM 0 HA PRO A 97 120.323 4.583 18.905 1.00 2.18 H new ATOM 0 HB2 PRO A 97 121.642 2.131 19.528 1.00 2.43 H new ATOM 0 HB3 PRO A 97 121.735 3.596 20.484 1.00 2.43 H new ATOM 0 HG2 PRO A 97 120.255 1.097 21.092 1.00 2.48 H new ATOM 0 HG3 PRO A 97 120.633 2.424 22.173 1.00 2.48 H new ATOM 0 HD2 PRO A 97 118.056 1.863 21.065 1.00 2.25 H new ATOM 0 HD3 PRO A 97 118.499 3.326 21.922 1.00 2.25 H new ATOM 1395 N ASP A 98 119.358 3.458 16.774 1.00 2.10 N ATOM 1396 CA ASP A 98 119.249 2.816 15.427 1.00 1.98 C ATOM 1397 C ASP A 98 118.496 3.750 14.491 1.00 1.76 C ATOM 1398 O ASP A 98 118.723 3.758 13.298 1.00 1.73 O ATOM 1399 CB ASP A 98 118.534 1.448 15.560 1.00 1.95 C ATOM 1400 CG ASP A 98 119.420 0.327 14.999 1.00 2.28 C ATOM 1401 OD1 ASP A 98 119.964 0.511 13.923 1.00 2.65 O ATOM 1402 OD2 ASP A 98 119.538 -0.693 15.658 1.00 2.64 O ATOM 0 H ASP A 98 118.932 4.382 16.848 1.00 2.10 H new ATOM 0 HA ASP A 98 120.240 2.637 15.011 1.00 1.98 H new ATOM 0 HB2 ASP A 98 118.305 1.250 16.607 1.00 1.95 H new ATOM 0 HB3 ASP A 98 117.585 1.473 15.025 1.00 1.95 H new ATOM 1407 N SER A 99 117.625 4.559 15.011 1.00 1.67 N ATOM 1408 CA SER A 99 116.906 5.500 14.126 1.00 1.48 C ATOM 1409 C SER A 99 117.870 6.665 13.814 1.00 1.62 C ATOM 1410 O SER A 99 118.533 7.135 14.717 1.00 1.87 O ATOM 1411 CB SER A 99 115.671 6.036 14.850 1.00 1.48 C ATOM 1412 OG SER A 99 114.682 5.017 14.906 1.00 2.00 O ATOM 0 H SER A 99 117.382 4.609 16.000 1.00 1.67 H new ATOM 0 HA SER A 99 116.587 5.006 13.208 1.00 1.48 H new ATOM 0 HB2 SER A 99 115.936 6.357 15.857 1.00 1.48 H new ATOM 0 HB3 SER A 99 115.280 6.910 14.329 1.00 1.48 H new ATOM 0 HG SER A 99 114.244 5.034 15.783 1.00 2.00 H new ATOM 1418 N PRO A 100 117.946 7.119 12.576 1.00 1.55 N ATOM 1419 CA PRO A 100 117.171 6.597 11.427 1.00 1.33 C ATOM 1420 C PRO A 100 117.759 5.258 10.921 1.00 1.33 C ATOM 1421 O PRO A 100 118.873 5.204 10.441 1.00 1.47 O ATOM 1422 CB PRO A 100 117.327 7.689 10.339 1.00 1.43 C ATOM 1423 CG PRO A 100 118.466 8.642 10.802 1.00 1.74 C ATOM 1424 CD PRO A 100 118.839 8.245 12.246 1.00 1.79 C ATOM 0 HA PRO A 100 116.132 6.398 11.689 1.00 1.33 H new ATOM 0 HB2 PRO A 100 117.569 7.240 9.376 1.00 1.43 H new ATOM 0 HB3 PRO A 100 116.395 8.239 10.209 1.00 1.43 H new ATOM 0 HG2 PRO A 100 119.331 8.555 10.144 1.00 1.74 H new ATOM 0 HG3 PRO A 100 118.138 9.681 10.762 1.00 1.74 H new ATOM 0 HD2 PRO A 100 119.886 7.952 12.316 1.00 1.79 H new ATOM 0 HD3 PRO A 100 118.694 9.078 12.934 1.00 1.79 H new ATOM 1432 N PHE A 101 117.005 4.191 11.000 1.00 1.25 N ATOM 1433 CA PHE A 101 117.493 2.870 10.502 1.00 1.36 C ATOM 1434 C PHE A 101 117.546 2.937 8.968 1.00 1.24 C ATOM 1435 O PHE A 101 116.967 3.811 8.364 1.00 1.16 O ATOM 1436 CB PHE A 101 116.447 1.795 10.902 1.00 1.55 C ATOM 1437 CG PHE A 101 117.065 0.664 11.698 1.00 1.46 C ATOM 1438 CD1 PHE A 101 118.106 -0.099 11.155 1.00 1.78 C ATOM 1439 CD2 PHE A 101 116.566 0.364 12.965 1.00 1.50 C ATOM 1440 CE1 PHE A 101 118.652 -1.159 11.888 1.00 2.18 C ATOM 1441 CE2 PHE A 101 117.107 -0.699 13.697 1.00 1.83 C ATOM 1442 CZ PHE A 101 118.151 -1.460 13.159 1.00 2.19 C ATOM 0 H PHE A 101 116.063 4.179 11.392 1.00 1.25 H new ATOM 0 HA PHE A 101 118.473 2.631 10.915 1.00 1.36 H new ATOM 0 HB2 PHE A 101 115.656 2.261 11.490 1.00 1.55 H new ATOM 0 HB3 PHE A 101 115.981 1.392 10.003 1.00 1.55 H new ATOM 0 HD1 PHE A 101 118.487 0.130 10.171 1.00 1.78 H new ATOM 0 HD2 PHE A 101 115.762 0.952 13.382 1.00 1.50 H new ATOM 0 HE1 PHE A 101 119.459 -1.744 11.473 1.00 2.18 H new ATOM 0 HE2 PHE A 101 116.719 -0.932 14.677 1.00 1.83 H new ATOM 0 HZ PHE A 101 118.570 -2.279 13.725 1.00 2.19 H new ATOM 1452 N VAL A 102 118.225 2.010 8.344 1.00 1.28 N ATOM 1453 CA VAL A 102 118.314 1.984 6.854 1.00 1.21 C ATOM 1454 C VAL A 102 117.807 0.624 6.362 1.00 1.23 C ATOM 1455 O VAL A 102 118.242 -0.411 6.827 1.00 1.34 O ATOM 1456 CB VAL A 102 119.777 2.180 6.451 1.00 1.31 C ATOM 1457 CG1 VAL A 102 120.603 0.954 6.856 1.00 1.44 C ATOM 1458 CG2 VAL A 102 119.871 2.389 4.938 1.00 1.29 C ATOM 0 H VAL A 102 118.730 1.258 8.812 1.00 1.28 H new ATOM 0 HA VAL A 102 117.710 2.776 6.412 1.00 1.21 H new ATOM 0 HB VAL A 102 120.172 3.058 6.963 1.00 1.31 H new ATOM 0 HG11 VAL A 102 121.643 1.103 6.565 1.00 1.44 H new ATOM 0 HG12 VAL A 102 120.545 0.817 7.936 1.00 1.44 H new ATOM 0 HG13 VAL A 102 120.210 0.069 6.356 1.00 1.44 H new ATOM 0 HG21 VAL A 102 120.914 2.528 4.654 1.00 1.29 H new ATOM 0 HG22 VAL A 102 119.469 1.516 4.424 1.00 1.29 H new ATOM 0 HG23 VAL A 102 119.297 3.272 4.656 1.00 1.29 H new ATOM 1468 N VAL A 103 116.879 0.620 5.435 1.00 1.15 N ATOM 1469 CA VAL A 103 116.315 -0.670 4.910 1.00 1.19 C ATOM 1470 C VAL A 103 116.542 -0.750 3.388 1.00 1.19 C ATOM 1471 O VAL A 103 115.663 -0.404 2.627 1.00 1.10 O ATOM 1472 CB VAL A 103 114.810 -0.692 5.194 1.00 1.11 C ATOM 1473 CG1 VAL A 103 114.199 -1.982 4.640 1.00 1.18 C ATOM 1474 CG2 VAL A 103 114.580 -0.630 6.707 1.00 1.14 C ATOM 0 H VAL A 103 116.483 1.461 5.015 1.00 1.15 H new ATOM 0 HA VAL A 103 116.806 -1.515 5.393 1.00 1.19 H new ATOM 0 HB VAL A 103 114.338 0.166 4.714 1.00 1.11 H new ATOM 0 HG11 VAL A 103 113.128 -1.994 4.844 1.00 1.18 H new ATOM 0 HG12 VAL A 103 114.364 -2.030 3.564 1.00 1.18 H new ATOM 0 HG13 VAL A 103 114.669 -2.842 5.118 1.00 1.18 H new ATOM 0 HG21 VAL A 103 113.510 -0.645 6.913 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.054 -1.489 7.183 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.013 0.289 7.103 1.00 1.14 H new ATOM 1484 N PRO A 104 117.716 -1.186 2.972 1.00 1.29 N ATOM 1485 CA PRO A 104 118.032 -1.279 1.535 1.00 1.30 C ATOM 1486 C PRO A 104 117.166 -2.354 0.855 1.00 1.33 C ATOM 1487 O PRO A 104 117.340 -3.539 1.070 1.00 1.44 O ATOM 1488 CB PRO A 104 119.535 -1.651 1.481 1.00 1.42 C ATOM 1489 CG PRO A 104 120.022 -1.840 2.948 1.00 1.49 C ATOM 1490 CD PRO A 104 118.808 -1.609 3.874 1.00 1.41 C ATOM 0 HA PRO A 104 117.827 -0.348 1.006 1.00 1.30 H new ATOM 0 HB2 PRO A 104 119.683 -2.565 0.907 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.107 -0.867 0.985 1.00 1.42 H new ATOM 0 HG2 PRO A 104 120.428 -2.841 3.091 1.00 1.49 H new ATOM 0 HG3 PRO A 104 120.821 -1.136 3.180 1.00 1.49 H new ATOM 0 HD2 PRO A 104 118.544 -2.518 4.414 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.021 -0.845 4.622 1.00 1.41 H new ATOM 1498 N VAL A 105 116.250 -1.946 0.016 1.00 1.25 N ATOM 1499 CA VAL A 105 115.395 -2.931 -0.705 1.00 1.29 C ATOM 1500 C VAL A 105 116.124 -3.301 -2.009 1.00 1.35 C ATOM 1501 O VAL A 105 116.839 -2.487 -2.567 1.00 1.31 O ATOM 1502 CB VAL A 105 114.025 -2.285 -0.966 1.00 1.19 C ATOM 1503 CG1 VAL A 105 113.178 -3.146 -1.916 1.00 1.26 C ATOM 1504 CG2 VAL A 105 113.289 -2.141 0.367 1.00 1.15 C ATOM 0 H VAL A 105 116.058 -0.968 -0.201 1.00 1.25 H new ATOM 0 HA VAL A 105 115.226 -3.840 -0.128 1.00 1.29 H new ATOM 0 HB VAL A 105 114.180 -1.311 -1.431 1.00 1.19 H new ATOM 0 HG11 VAL A 105 112.215 -2.664 -2.082 1.00 1.26 H new ATOM 0 HG12 VAL A 105 113.698 -3.256 -2.868 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.020 -4.129 -1.473 1.00 1.26 H new ATOM 0 HG21 VAL A 105 112.314 -1.684 0.197 1.00 1.15 H new ATOM 0 HG22 VAL A 105 113.155 -3.125 0.817 1.00 1.15 H new ATOM 0 HG23 VAL A 105 113.873 -1.512 1.039 1.00 1.15 H new ATOM 1514 N ALA A 106 115.999 -4.532 -2.468 1.00 1.46 N ATOM 1515 CA ALA A 106 116.743 -4.969 -3.705 1.00 1.53 C ATOM 1516 C ALA A 106 115.827 -5.737 -4.682 1.00 1.59 C ATOM 1517 O ALA A 106 115.145 -6.665 -4.320 1.00 1.66 O ATOM 1518 CB ALA A 106 117.893 -5.885 -3.258 1.00 1.67 C ATOM 0 H ALA A 106 115.416 -5.251 -2.041 1.00 1.46 H new ATOM 0 HA ALA A 106 117.114 -4.088 -4.229 1.00 1.53 H new ATOM 0 HB1 ALA A 106 118.452 -6.219 -4.132 1.00 1.67 H new ATOM 0 HB2 ALA A 106 118.557 -5.336 -2.590 1.00 1.67 H new ATOM 0 HB3 ALA A 106 117.486 -6.750 -2.735 1.00 1.67 H new ATOM 1524 N SER A 107 115.838 -5.359 -5.930 1.00 1.59 N ATOM 1525 CA SER A 107 115.013 -6.055 -6.963 1.00 1.67 C ATOM 1526 C SER A 107 115.968 -6.884 -7.804 1.00 1.81 C ATOM 1527 O SER A 107 116.580 -6.397 -8.734 1.00 1.83 O ATOM 1528 CB SER A 107 114.314 -5.036 -7.863 1.00 1.60 C ATOM 1529 OG SER A 107 115.291 -4.311 -8.598 1.00 2.04 O ATOM 0 H SER A 107 116.394 -4.582 -6.286 1.00 1.59 H new ATOM 0 HA SER A 107 114.251 -6.673 -6.488 1.00 1.67 H new ATOM 0 HB2 SER A 107 113.632 -5.543 -8.545 1.00 1.60 H new ATOM 0 HB3 SER A 107 113.714 -4.353 -7.261 1.00 1.60 H new ATOM 0 HG SER A 107 115.778 -4.924 -9.188 1.00 2.04 H new ATOM 1535 N LEU A 108 116.134 -8.115 -7.444 1.00 1.98 N ATOM 1536 CA LEU A 108 117.090 -8.993 -8.176 1.00 2.16 C ATOM 1537 C LEU A 108 118.469 -8.330 -8.125 1.00 2.13 C ATOM 1538 O LEU A 108 119.416 -8.775 -8.742 1.00 2.33 O ATOM 1539 CB LEU A 108 116.639 -9.191 -9.634 1.00 2.25 C ATOM 1540 CG LEU A 108 115.569 -10.284 -9.698 1.00 2.76 C ATOM 1541 CD1 LEU A 108 114.342 -9.849 -8.894 1.00 3.20 C ATOM 1542 CD2 LEU A 108 115.165 -10.518 -11.155 1.00 3.20 C ATOM 0 H LEU A 108 115.647 -8.562 -6.667 1.00 1.98 H new ATOM 0 HA LEU A 108 117.127 -9.978 -7.710 1.00 2.16 H new ATOM 0 HB2 LEU A 108 116.243 -8.257 -10.033 1.00 2.25 H new ATOM 0 HB3 LEU A 108 117.492 -9.466 -10.255 1.00 2.25 H new ATOM 0 HG LEU A 108 115.970 -11.207 -9.278 1.00 2.76 H new ATOM 0 HD11 LEU A 108 113.581 -10.628 -8.941 1.00 3.20 H new ATOM 0 HD12 LEU A 108 114.628 -9.683 -7.855 1.00 3.20 H new ATOM 0 HD13 LEU A 108 113.942 -8.926 -9.312 1.00 3.20 H new ATOM 0 HD21 LEU A 108 114.403 -11.296 -11.201 1.00 3.20 H new ATOM 0 HD22 LEU A 108 114.766 -9.595 -11.575 1.00 3.20 H new ATOM 0 HD23 LEU A 108 116.038 -10.830 -11.729 1.00 3.20 H new ATOM 1554 N SER A 109 118.580 -7.270 -7.364 1.00 1.93 N ATOM 1555 CA SER A 109 119.881 -6.557 -7.221 1.00 1.92 C ATOM 1556 C SER A 109 120.608 -7.117 -6.006 1.00 2.00 C ATOM 1557 O SER A 109 121.821 -7.113 -5.939 1.00 2.09 O ATOM 1558 CB SER A 109 119.625 -5.064 -7.021 1.00 1.77 C ATOM 1559 OG SER A 109 120.821 -4.352 -7.301 1.00 2.06 O ATOM 0 H SER A 109 117.812 -6.865 -6.829 1.00 1.93 H new ATOM 0 HA SER A 109 120.486 -6.698 -8.117 1.00 1.92 H new ATOM 0 HB2 SER A 109 118.823 -4.727 -7.678 1.00 1.77 H new ATOM 0 HB3 SER A 109 119.301 -4.870 -5.998 1.00 1.77 H new ATOM 0 HG SER A 109 120.667 -3.392 -7.177 1.00 2.06 H new ATOM 1565 N ASP A 110 119.872 -7.580 -5.031 1.00 1.99 N ATOM 1566 CA ASP A 110 120.518 -8.121 -3.805 1.00 2.10 C ATOM 1567 C ASP A 110 121.492 -7.072 -3.282 1.00 2.06 C ATOM 1568 O ASP A 110 122.315 -7.333 -2.427 1.00 2.19 O ATOM 1569 CB ASP A 110 121.272 -9.413 -4.137 1.00 2.32 C ATOM 1570 CG ASP A 110 120.272 -10.496 -4.546 1.00 2.37 C ATOM 1571 OD1 ASP A 110 119.612 -11.027 -3.668 1.00 2.61 O ATOM 1572 OD2 ASP A 110 120.182 -10.775 -5.730 1.00 2.85 O ATOM 0 H ASP A 110 118.852 -7.606 -5.033 1.00 1.99 H new ATOM 0 HA ASP A 110 119.764 -8.347 -3.051 1.00 2.10 H new ATOM 0 HB2 ASP A 110 121.982 -9.235 -4.945 1.00 2.32 H new ATOM 0 HB3 ASP A 110 121.848 -9.743 -3.273 1.00 2.32 H new ATOM 1836 N ARG B 8 113.955 11.366 -2.114 1.00 0.48 N ATOM 1837 CA ARG B 8 113.022 10.277 -2.541 1.00 0.50 C ATOM 1838 C ARG B 8 111.623 10.602 -2.018 1.00 0.48 C ATOM 1839 O ARG B 8 111.432 11.553 -1.286 1.00 0.96 O ATOM 1840 CB ARG B 8 113.512 8.934 -1.950 1.00 0.67 C ATOM 1841 CG ARG B 8 115.022 9.014 -1.688 1.00 0.80 C ATOM 1842 CD ARG B 8 115.630 7.616 -1.616 1.00 1.18 C ATOM 1843 NE ARG B 8 117.109 7.746 -1.508 1.00 1.76 N ATOM 1844 CZ ARG B 8 117.826 6.741 -1.099 1.00 2.26 C ATOM 1845 NH1 ARG B 8 117.249 5.627 -0.755 1.00 3.04 N ATOM 1846 NH2 ARG B 8 119.123 6.853 -1.027 1.00 2.64 N ATOM 0 HA ARG B 8 112.995 10.199 -3.628 1.00 0.50 H new ATOM 0 HB2 ARG B 8 112.982 8.717 -1.023 1.00 0.67 H new ATOM 0 HB3 ARG B 8 113.294 8.119 -2.640 1.00 0.67 H new ATOM 0 HG2 ARG B 8 115.504 9.586 -2.481 1.00 0.80 H new ATOM 0 HG3 ARG B 8 115.207 9.545 -0.754 1.00 0.80 H new ATOM 0 HD2 ARG B 8 115.234 7.075 -0.756 1.00 1.18 H new ATOM 0 HD3 ARG B 8 115.365 7.042 -2.504 1.00 1.18 H new ATOM 0 HE ARG B 8 117.561 8.626 -1.756 1.00 1.76 H new ATOM 0 HH11 ARG B 8 116.234 5.541 -0.806 1.00 3.04 H new ATOM 0 HH12 ARG B 8 117.812 4.839 -0.434 1.00 3.04 H new ATOM 0 HH21 ARG B 8 119.575 7.728 -1.291 1.00 2.64 H new ATOM 0 HH22 ARG B 8 119.686 6.065 -0.706 1.00 2.64 H new ATOM 1860 N VAL B 9 110.647 9.817 -2.366 1.00 0.42 N ATOM 1861 CA VAL B 9 109.279 10.089 -1.860 1.00 0.36 C ATOM 1862 C VAL B 9 109.345 10.105 -0.329 1.00 0.28 C ATOM 1863 O VAL B 9 110.269 9.579 0.258 1.00 0.38 O ATOM 1864 CB VAL B 9 108.334 8.988 -2.356 1.00 0.45 C ATOM 1865 CG1 VAL B 9 107.041 8.984 -1.533 1.00 0.67 C ATOM 1866 CG2 VAL B 9 107.993 9.239 -3.828 1.00 0.66 C ATOM 0 H VAL B 9 110.736 9.004 -2.975 1.00 0.42 H new ATOM 0 HA VAL B 9 108.904 11.047 -2.220 1.00 0.36 H new ATOM 0 HB VAL B 9 108.828 8.023 -2.246 1.00 0.45 H new ATOM 0 HG11 VAL B 9 106.380 8.197 -1.897 1.00 0.67 H new ATOM 0 HG12 VAL B 9 107.278 8.803 -0.485 1.00 0.67 H new ATOM 0 HG13 VAL B 9 106.544 9.949 -1.631 1.00 0.67 H new ATOM 0 HG21 VAL B 9 107.321 8.458 -4.184 1.00 0.66 H new ATOM 0 HG22 VAL B 9 107.507 10.209 -3.929 1.00 0.66 H new ATOM 0 HG23 VAL B 9 108.908 9.228 -4.420 1.00 0.66 H new ATOM 1876 N ALA B 10 108.386 10.717 0.320 1.00 0.27 N ATOM 1877 CA ALA B 10 108.401 10.786 1.820 1.00 0.35 C ATOM 1878 C ALA B 10 107.086 10.248 2.380 1.00 0.26 C ATOM 1879 O ALA B 10 106.046 10.342 1.758 1.00 0.40 O ATOM 1880 CB ALA B 10 108.571 12.243 2.254 1.00 0.58 C ATOM 0 H ALA B 10 107.589 11.174 -0.123 1.00 0.27 H new ATOM 0 HA ALA B 10 109.227 10.184 2.199 1.00 0.35 H new ATOM 0 HB1 ALA B 10 108.583 12.299 3.342 1.00 0.58 H new ATOM 0 HB2 ALA B 10 109.510 12.633 1.860 1.00 0.58 H new ATOM 0 HB3 ALA B 10 107.742 12.837 1.869 1.00 0.58 H new ATOM 1886 N SER B 11 107.126 9.683 3.559 1.00 0.23 N ATOM 1887 CA SER B 11 105.880 9.134 4.175 1.00 0.22 C ATOM 1888 C SER B 11 105.968 9.257 5.700 1.00 0.23 C ATOM 1889 O SER B 11 107.025 9.127 6.286 1.00 0.30 O ATOM 1890 CB SER B 11 105.728 7.662 3.782 1.00 0.36 C ATOM 1891 OG SER B 11 105.201 7.584 2.465 1.00 1.19 O ATOM 0 H SER B 11 107.969 9.578 4.123 1.00 0.23 H new ATOM 0 HA SER B 11 105.016 9.695 3.819 1.00 0.22 H new ATOM 0 HB2 SER B 11 106.693 7.158 3.831 1.00 0.36 H new ATOM 0 HB3 SER B 11 105.066 7.152 4.482 1.00 0.36 H new ATOM 0 HG SER B 11 105.292 8.455 2.024 1.00 1.19 H new ATOM 1897 N SER B 12 104.859 9.508 6.349 1.00 0.27 N ATOM 1898 CA SER B 12 104.865 9.644 7.838 1.00 0.35 C ATOM 1899 C SER B 12 103.596 9.013 8.415 1.00 0.31 C ATOM 1900 O SER B 12 102.493 9.433 8.126 1.00 0.41 O ATOM 1901 CB SER B 12 104.909 11.125 8.212 1.00 0.52 C ATOM 1902 OG SER B 12 104.637 11.265 9.600 1.00 1.38 O ATOM 0 H SER B 12 103.946 9.625 5.910 1.00 0.27 H new ATOM 0 HA SER B 12 105.740 9.137 8.245 1.00 0.35 H new ATOM 0 HB2 SER B 12 105.888 11.543 7.977 1.00 0.52 H new ATOM 0 HB3 SER B 12 104.176 11.682 7.628 1.00 0.52 H new ATOM 0 HG SER B 12 104.666 12.213 9.845 1.00 1.38 H new ATOM 1908 N VAL B 13 103.747 8.007 9.232 1.00 0.27 N ATOM 1909 CA VAL B 13 102.562 7.340 9.836 1.00 0.27 C ATOM 1910 C VAL B 13 102.998 6.624 11.115 1.00 0.32 C ATOM 1911 O VAL B 13 104.183 6.459 11.370 1.00 0.41 O ATOM 1912 CB VAL B 13 101.993 6.330 8.836 1.00 0.32 C ATOM 1913 CG1 VAL B 13 103.128 5.468 8.280 1.00 0.42 C ATOM 1914 CG2 VAL B 13 100.955 5.433 9.522 1.00 0.41 C ATOM 0 H VAL B 13 104.648 7.617 9.508 1.00 0.27 H new ATOM 0 HA VAL B 13 101.794 8.075 10.077 1.00 0.27 H new ATOM 0 HB VAL B 13 101.510 6.870 8.021 1.00 0.32 H new ATOM 0 HG11 VAL B 13 102.723 4.749 7.568 1.00 0.42 H new ATOM 0 HG12 VAL B 13 103.856 6.105 7.778 1.00 0.42 H new ATOM 0 HG13 VAL B 13 103.614 4.935 9.097 1.00 0.42 H new ATOM 0 HG21 VAL B 13 100.558 4.719 8.801 1.00 0.41 H new ATOM 0 HG22 VAL B 13 101.426 4.894 10.344 1.00 0.41 H new ATOM 0 HG23 VAL B 13 100.142 6.048 9.910 1.00 0.41 H new ATOM 1924 N PHE B 14 102.059 6.199 11.924 1.00 0.36 N ATOM 1925 CA PHE B 14 102.442 5.500 13.181 1.00 0.45 C ATOM 1926 C PHE B 14 101.219 5.004 13.960 1.00 0.34 C ATOM 1927 O PHE B 14 100.110 4.974 13.465 1.00 0.35 O ATOM 1928 CB PHE B 14 103.229 6.447 14.077 1.00 0.59 C ATOM 1929 CG PHE B 14 102.344 7.555 14.616 1.00 0.71 C ATOM 1930 CD1 PHE B 14 101.786 8.500 13.744 1.00 0.70 C ATOM 1931 CD2 PHE B 14 102.092 7.645 15.991 1.00 1.40 C ATOM 1932 CE1 PHE B 14 100.978 9.525 14.245 1.00 1.03 C ATOM 1933 CE2 PHE B 14 101.285 8.672 16.492 1.00 1.79 C ATOM 1934 CZ PHE B 14 100.727 9.612 15.619 1.00 1.54 C ATOM 0 H PHE B 14 101.057 6.306 11.768 1.00 0.36 H new ATOM 0 HA PHE B 14 103.046 4.638 12.898 1.00 0.45 H new ATOM 0 HB2 PHE B 14 103.664 5.890 14.906 1.00 0.59 H new ATOM 0 HB3 PHE B 14 104.057 6.880 13.515 1.00 0.59 H new ATOM 0 HD1 PHE B 14 101.981 8.436 12.684 1.00 0.70 H new ATOM 0 HD2 PHE B 14 102.522 6.920 16.666 1.00 1.40 H new ATOM 0 HE1 PHE B 14 100.547 10.250 13.571 1.00 1.03 H new ATOM 0 HE2 PHE B 14 101.093 8.739 17.553 1.00 1.79 H new ATOM 0 HZ PHE B 14 100.103 10.404 16.005 1.00 1.54 H new ATOM 1944 N ILE B 15 101.441 4.613 15.196 1.00 0.34 N ATOM 1945 CA ILE B 15 100.338 4.110 16.060 1.00 0.33 C ATOM 1946 C ILE B 15 100.633 4.519 17.511 1.00 0.31 C ATOM 1947 O ILE B 15 101.658 5.102 17.799 1.00 0.58 O ATOM 1948 CB ILE B 15 100.280 2.581 15.954 1.00 0.51 C ATOM 1949 CG1 ILE B 15 101.702 2.028 15.833 1.00 0.62 C ATOM 1950 CG2 ILE B 15 99.471 2.172 14.719 1.00 0.83 C ATOM 1951 CD1 ILE B 15 101.672 0.504 15.962 1.00 1.25 C ATOM 0 H ILE B 15 102.358 4.624 15.643 1.00 0.34 H new ATOM 0 HA ILE B 15 99.382 4.529 15.745 1.00 0.33 H new ATOM 0 HB ILE B 15 99.800 2.178 16.846 1.00 0.51 H new ATOM 0 HG12 ILE B 15 102.134 2.314 14.874 1.00 0.62 H new ATOM 0 HG13 ILE B 15 102.337 2.456 16.609 1.00 0.62 H new ATOM 0 HG21 ILE B 15 99.435 1.085 14.651 1.00 0.83 H new ATOM 0 HG22 ILE B 15 98.457 2.564 14.802 1.00 0.83 H new ATOM 0 HG23 ILE B 15 99.944 2.576 13.824 1.00 0.83 H new ATOM 0 HD11 ILE B 15 102.685 0.112 15.876 1.00 1.25 H new ATOM 0 HD12 ILE B 15 101.258 0.229 16.932 1.00 1.25 H new ATOM 0 HD13 ILE B 15 101.052 0.084 15.170 1.00 1.25 H new ATOM 1963 N THR B 16 99.746 4.223 18.429 1.00 0.35 N ATOM 1964 CA THR B 16 99.985 4.607 19.859 1.00 0.47 C ATOM 1965 C THR B 16 99.522 3.483 20.790 1.00 0.31 C ATOM 1966 O THR B 16 98.515 2.844 20.557 1.00 0.35 O ATOM 1967 CB THR B 16 99.197 5.881 20.175 1.00 0.75 C ATOM 1968 OG1 THR B 16 99.431 6.844 19.157 1.00 1.61 O ATOM 1969 CG2 THR B 16 99.648 6.444 21.524 1.00 1.40 C ATOM 0 H THR B 16 98.869 3.734 18.253 1.00 0.35 H new ATOM 0 HA THR B 16 101.051 4.779 20.011 1.00 0.47 H new ATOM 0 HB THR B 16 98.133 5.648 20.220 1.00 0.75 H new ATOM 0 HG1 THR B 16 98.926 7.660 19.356 1.00 1.61 H new ATOM 0 HG21 THR B 16 99.085 7.351 21.746 1.00 1.40 H new ATOM 0 HG22 THR B 16 99.469 5.705 22.305 1.00 1.40 H new ATOM 0 HG23 THR B 16 100.712 6.678 21.483 1.00 1.40 H new ATOM 1977 N LEU B 17 100.253 3.248 21.854 1.00 0.39 N ATOM 1978 CA LEU B 17 99.871 2.175 22.826 1.00 0.44 C ATOM 1979 C LEU B 17 99.284 2.823 24.081 1.00 0.31 C ATOM 1980 O LEU B 17 99.932 3.606 24.749 1.00 0.54 O ATOM 1981 CB LEU B 17 101.113 1.365 23.207 1.00 0.72 C ATOM 1982 CG LEU B 17 101.893 0.990 21.944 1.00 0.83 C ATOM 1983 CD1 LEU B 17 103.040 0.048 22.319 1.00 1.06 C ATOM 1984 CD2 LEU B 17 100.960 0.288 20.950 1.00 1.32 C ATOM 0 H LEU B 17 101.104 3.758 22.092 1.00 0.39 H new ATOM 0 HA LEU B 17 99.133 1.514 22.372 1.00 0.44 H new ATOM 0 HB2 LEU B 17 101.746 1.946 23.878 1.00 0.72 H new ATOM 0 HB3 LEU B 17 100.820 0.464 23.746 1.00 0.72 H new ATOM 0 HG LEU B 17 102.295 1.893 21.484 1.00 0.83 H new ATOM 0 HD11 LEU B 17 103.598 -0.221 21.422 1.00 1.06 H new ATOM 0 HD12 LEU B 17 103.705 0.547 23.024 1.00 1.06 H new ATOM 0 HD13 LEU B 17 102.635 -0.854 22.779 1.00 1.06 H new ATOM 0 HD21 LEU B 17 101.518 0.022 20.052 1.00 1.32 H new ATOM 0 HD22 LEU B 17 100.556 -0.616 21.406 1.00 1.32 H new ATOM 0 HD23 LEU B 17 100.142 0.957 20.684 1.00 1.32 H new