USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 710 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 339 ASN : amide:sc= 1.35 K(o=2.7,f=-0.91!) USER MOD Set 1.2: A 384 HIS :FLIP no HD1:sc= 0.486 F(o=-3.3,f=2.7) USER MOD Set 1.3: B 147 ASN : amide:sc= -0.09 K(o=2.7,f=1.5!) USER MOD Set 1.4: B 149 THR OG1 : rot 56:sc= 0.96 USER MOD Set 2.1: A 341 HIS : no HD1:sc= 0.506 K(o=0.59,f=-1.3) USER MOD Set 2.2: A 351 THR OG1 : rot -91:sc= 0.0811 USER MOD Set 3.1: A 347 SER OG : rot -123:sc= 1.32 USER MOD Set 3.2: A 370 LYS NZ :NH3+ -174:sc= 2.14 (180deg=0.557) USER MOD Single : A 318 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 321 LYS NZ :NH3+ -166:sc= -0.921 (180deg=-1.24) USER MOD Single : A 324 LYS NZ :NH3+ -173:sc= -1.29! (180deg=-1.75) USER MOD Single : A 327 LYS NZ :NH3+ -173:sc= -1.04! (180deg=-1.47!) USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 340 GLN :FLIP amide:sc= -0.0977 F(o=-0.74,f=-0.098) USER MOD Single : A 346 ASN : amide:sc= -2.39! C(o=-2.4!,f=-8.1!) USER MOD Single : A 349 TYR OH : rot -33:sc= 0.881 USER MOD Single : A 352 LYS NZ :NH3+ -164:sc= 0.0251 (180deg=-1.79!) USER MOD Single : A 360 HIS : no HE2:sc= -0.244 K(o=-0.24,f=-3.6!) USER MOD Single : A 361 LYS NZ :NH3+ 140:sc= 1.22 (180deg=0.994) USER MOD Single : A 364 LYS NZ :NH3+ -145:sc= 0.925 (180deg=0.229) USER MOD Single : A 366 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 375 ASN : amide:sc= -0.114 K(o=-0.11,f=-5.9!) USER MOD Single : A 376 ASN : amide:sc= -0.372 X(o=-0.37,f=0) USER MOD Single : A 378 CYS SG : rot 33:sc= 0.117 USER MOD Single : A 383 THR OG1 : rot 118:sc= 1.14 USER MOD Single : A 389 THR OG1 : rot 82:sc= 1.18 USER MOD Single : A 392 LYS NZ :NH3+ 170:sc= 0.775 (180deg=0.18) USER MOD Single : A 393 ASN : amide:sc= 1.15 K(o=1.2,f=-0.0039) USER MOD Single : A 394 THR OG1 : rot -106:sc= -0.422! USER MOD Single : A 395 SER OG : rot 180:sc=-0.00759 USER MOD Single : A 399 TYR OH : rot 180:sc= 0 USER MOD Single : A 401 LYS NZ :NH3+ -179:sc= 1.13 (180deg=1.12) USER MOD Single : A 404 LYS NZ :NH3+ -154:sc= 1.05 (180deg=-0.0128) USER MOD Single : B 150 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 318 0.541 1.047 0.185 1.00 53.05 N ATOM 2 CA MET A 318 1.566 1.697 -0.603 1.00 22.35 C ATOM 3 C MET A 318 2.683 0.718 -0.746 1.00 15.23 C ATOM 4 O MET A 318 3.345 0.383 0.209 1.00 32.51 O ATOM 5 CB MET A 318 2.047 2.991 0.071 1.00 15.34 C ATOM 6 CG MET A 318 3.142 3.720 -0.698 1.00 52.32 C ATOM 7 SD MET A 318 2.619 4.193 -2.352 1.00 23.10 S ATOM 8 CE MET A 318 4.108 4.993 -2.958 1.00 61.13 C ATOM 0 HA MET A 318 1.177 1.986 -1.579 1.00 22.35 H new ATOM 0 HB2 MET A 318 1.197 3.661 0.196 1.00 15.34 H new ATOM 0 HB3 MET A 318 2.415 2.754 1.069 1.00 15.34 H new ATOM 0 HG2 MET A 318 3.439 4.611 -0.145 1.00 52.32 H new ATOM 0 HG3 MET A 318 4.022 3.080 -0.767 1.00 52.32 H new ATOM 0 HE1 MET A 318 3.944 5.343 -3.977 1.00 61.13 H new ATOM 0 HE2 MET A 318 4.352 5.841 -2.318 1.00 61.13 H new ATOM 0 HE3 MET A 318 4.933 4.281 -2.948 1.00 61.13 H new ATOM 20 N GLU A 319 2.818 0.193 -1.890 1.00 52.23 N ATOM 21 CA GLU A 319 3.789 -0.790 -2.136 1.00 44.04 C ATOM 22 C GLU A 319 4.841 -0.386 -3.111 1.00 54.33 C ATOM 23 O GLU A 319 4.582 0.152 -4.183 1.00 24.21 O ATOM 24 CB GLU A 319 3.225 -2.217 -2.268 1.00 64.13 C ATOM 25 CG GLU A 319 1.824 -2.317 -2.860 1.00 15.11 C ATOM 26 CD GLU A 319 0.739 -2.052 -1.787 1.00 73.10 C ATOM 27 OE1 GLU A 319 0.402 -2.987 -1.039 1.00 62.21 O ATOM 28 OE2 GLU A 319 0.254 -0.896 -1.636 1.00 42.23 O ATOM 0 H GLU A 319 2.248 0.436 -2.700 1.00 52.23 H new ATOM 0 HA GLU A 319 4.364 -0.863 -1.213 1.00 44.04 H new ATOM 0 HB2 GLU A 319 3.905 -2.802 -2.888 1.00 64.13 H new ATOM 0 HB3 GLU A 319 3.217 -2.679 -1.281 1.00 64.13 H new ATOM 0 HG2 GLU A 319 1.718 -1.598 -3.672 1.00 15.11 H new ATOM 0 HG3 GLU A 319 1.679 -3.308 -3.290 1.00 15.11 H new ATOM 35 N ILE A 320 6.023 -0.619 -2.680 1.00 52.12 N ATOM 36 CA ILE A 320 7.213 -0.160 -3.281 1.00 11.24 C ATOM 37 C ILE A 320 8.109 -1.309 -3.626 1.00 30.43 C ATOM 38 O ILE A 320 8.607 -2.008 -2.762 1.00 73.32 O ATOM 39 CB ILE A 320 7.951 0.782 -2.292 1.00 53.24 C ATOM 40 CG1 ILE A 320 7.109 2.041 -2.015 1.00 63.11 C ATOM 41 CG2 ILE A 320 9.323 1.151 -2.815 1.00 14.41 C ATOM 42 CD1 ILE A 320 7.735 3.018 -1.038 1.00 43.33 C ATOM 0 H ILE A 320 6.194 -1.173 -1.841 1.00 52.12 H new ATOM 0 HA ILE A 320 6.960 0.374 -4.197 1.00 11.24 H new ATOM 0 HB ILE A 320 8.087 0.249 -1.351 1.00 53.24 H new ATOM 0 HG12 ILE A 320 6.929 2.556 -2.958 1.00 63.11 H new ATOM 0 HG13 ILE A 320 6.137 1.734 -1.629 1.00 63.11 H new ATOM 0 HG21 ILE A 320 9.818 1.811 -2.103 1.00 14.41 H new ATOM 0 HG22 ILE A 320 9.918 0.247 -2.946 1.00 14.41 H new ATOM 0 HG23 ILE A 320 9.222 1.661 -3.773 1.00 14.41 H new ATOM 0 HD11 ILE A 320 7.073 3.873 -0.904 1.00 43.33 H new ATOM 0 HD12 ILE A 320 7.889 2.524 -0.078 1.00 43.33 H new ATOM 0 HD13 ILE A 320 8.694 3.359 -1.429 1.00 43.33 H new ATOM 54 N LYS A 321 8.288 -1.515 -4.880 1.00 3.03 N ATOM 55 CA LYS A 321 9.251 -2.450 -5.333 1.00 30.22 C ATOM 56 C LYS A 321 10.606 -1.827 -5.115 1.00 1.12 C ATOM 57 O LYS A 321 10.842 -0.678 -5.531 1.00 12.00 O ATOM 58 CB LYS A 321 9.007 -2.747 -6.810 1.00 63.22 C ATOM 59 CG LYS A 321 10.008 -3.698 -7.494 1.00 22.11 C ATOM 60 CD LYS A 321 11.395 -3.070 -7.818 1.00 23.33 C ATOM 61 CE LYS A 321 11.315 -1.860 -8.764 1.00 73.31 C ATOM 62 NZ LYS A 321 12.620 -1.152 -8.868 1.00 55.21 N ATOM 0 H LYS A 321 7.771 -1.041 -5.621 1.00 3.03 H new ATOM 0 HA LYS A 321 9.187 -3.394 -4.792 1.00 30.22 H new ATOM 0 HB2 LYS A 321 8.008 -3.172 -6.912 1.00 63.22 H new ATOM 0 HB3 LYS A 321 9.009 -1.802 -7.353 1.00 63.22 H new ATOM 0 HG2 LYS A 321 10.160 -4.565 -6.851 1.00 22.11 H new ATOM 0 HG3 LYS A 321 9.565 -4.062 -8.421 1.00 22.11 H new ATOM 0 HD2 LYS A 321 11.872 -2.763 -6.887 1.00 23.33 H new ATOM 0 HD3 LYS A 321 12.033 -3.831 -8.267 1.00 23.33 H new ATOM 0 HE2 LYS A 321 11.002 -2.193 -9.754 1.00 73.31 H new ATOM 0 HE3 LYS A 321 10.554 -1.168 -8.405 1.00 73.31 H new ATOM 0 HZ1 LYS A 321 12.477 -0.223 -9.313 1.00 55.21 H new ATOM 0 HZ2 LYS A 321 13.021 -1.022 -7.917 1.00 55.21 H new ATOM 0 HZ3 LYS A 321 13.276 -1.715 -9.446 1.00 55.21 H new ATOM 76 N LEU A 322 11.452 -2.546 -4.464 1.00 61.32 N ATOM 77 CA LEU A 322 12.798 -2.138 -4.211 1.00 24.12 C ATOM 78 C LEU A 322 13.705 -3.152 -4.822 1.00 14.32 C ATOM 79 O LEU A 322 13.299 -4.273 -5.081 1.00 71.21 O ATOM 80 CB LEU A 322 13.098 -2.076 -2.710 1.00 31.42 C ATOM 81 CG LEU A 322 12.323 -1.086 -1.879 1.00 53.22 C ATOM 82 CD1 LEU A 322 12.715 -1.233 -0.430 1.00 65.04 C ATOM 83 CD2 LEU A 322 12.623 0.299 -2.340 1.00 43.42 C ATOM 0 H LEU A 322 11.224 -3.463 -4.079 1.00 61.32 H new ATOM 0 HA LEU A 322 12.946 -1.144 -4.633 1.00 24.12 H new ATOM 0 HB2 LEU A 322 12.928 -3.069 -2.293 1.00 31.42 H new ATOM 0 HB3 LEU A 322 14.159 -1.857 -2.589 1.00 31.42 H new ATOM 0 HG LEU A 322 11.256 -1.278 -1.988 1.00 53.22 H new ATOM 0 HD11 LEU A 322 12.155 -0.518 0.173 1.00 65.04 H new ATOM 0 HD12 LEU A 322 12.491 -2.245 -0.093 1.00 65.04 H new ATOM 0 HD13 LEU A 322 13.783 -1.043 -0.321 1.00 65.04 H new ATOM 0 HD21 LEU A 322 12.061 1.013 -1.737 1.00 43.42 H new ATOM 0 HD22 LEU A 322 13.690 0.495 -2.234 1.00 43.42 H new ATOM 0 HD23 LEU A 322 12.337 0.404 -3.387 1.00 43.42 H new ATOM 95 N ILE A 323 14.859 -2.745 -5.148 1.00 70.03 N ATOM 96 CA ILE A 323 15.877 -3.645 -5.570 1.00 30.44 C ATOM 97 C ILE A 323 16.886 -3.723 -4.427 1.00 41.45 C ATOM 98 O ILE A 323 16.949 -2.799 -3.618 1.00 54.21 O ATOM 99 CB ILE A 323 16.508 -3.172 -6.928 1.00 71.33 C ATOM 100 CG1 ILE A 323 15.418 -3.210 -8.019 1.00 30.10 C ATOM 101 CG2 ILE A 323 17.715 -4.017 -7.341 1.00 22.34 C ATOM 102 CD1 ILE A 323 15.892 -2.860 -9.411 1.00 2.21 C ATOM 0 H ILE A 323 15.142 -1.765 -5.134 1.00 70.03 H new ATOM 0 HA ILE A 323 15.485 -4.641 -5.774 1.00 30.44 H new ATOM 0 HB ILE A 323 16.878 -2.155 -6.798 1.00 71.33 H new ATOM 0 HG12 ILE A 323 14.982 -4.209 -8.041 1.00 30.10 H new ATOM 0 HG13 ILE A 323 14.621 -2.521 -7.739 1.00 30.10 H new ATOM 0 HG21 ILE A 323 18.112 -3.647 -8.286 1.00 22.34 H new ATOM 0 HG22 ILE A 323 18.486 -3.951 -6.573 1.00 22.34 H new ATOM 0 HG23 ILE A 323 17.408 -5.056 -7.459 1.00 22.34 H new ATOM 0 HD11 ILE A 323 15.054 -2.915 -10.105 1.00 2.21 H new ATOM 0 HD12 ILE A 323 16.299 -1.849 -9.413 1.00 2.21 H new ATOM 0 HD13 ILE A 323 16.665 -3.563 -9.720 1.00 2.21 H new ATOM 114 N LYS A 324 17.561 -4.835 -4.270 1.00 62.44 N ATOM 115 CA LYS A 324 18.640 -4.915 -3.294 1.00 72.32 C ATOM 116 C LYS A 324 19.853 -4.180 -3.899 1.00 71.32 C ATOM 117 O LYS A 324 19.791 -3.701 -5.019 1.00 51.22 O ATOM 118 CB LYS A 324 19.000 -6.356 -2.980 1.00 61.34 C ATOM 119 CG LYS A 324 19.623 -6.591 -1.605 1.00 60.22 C ATOM 120 CD LYS A 324 20.559 -7.814 -1.553 1.00 42.54 C ATOM 121 CE LYS A 324 21.983 -7.540 -2.109 1.00 73.22 C ATOM 122 NZ LYS A 324 22.066 -7.346 -3.590 1.00 45.12 N ATOM 0 H LYS A 324 17.392 -5.693 -4.795 1.00 62.44 H new ATOM 0 HA LYS A 324 18.329 -4.457 -2.355 1.00 72.32 H new ATOM 0 HB2 LYS A 324 18.099 -6.964 -3.060 1.00 61.34 H new ATOM 0 HB3 LYS A 324 19.694 -6.713 -3.741 1.00 61.34 H new ATOM 0 HG2 LYS A 324 20.183 -5.703 -1.312 1.00 60.22 H new ATOM 0 HG3 LYS A 324 18.827 -6.722 -0.872 1.00 60.22 H new ATOM 0 HD2 LYS A 324 20.642 -8.152 -0.520 1.00 42.54 H new ATOM 0 HD3 LYS A 324 20.109 -8.629 -2.120 1.00 42.54 H new ATOM 0 HE2 LYS A 324 22.381 -6.651 -1.620 1.00 73.22 H new ATOM 0 HE3 LYS A 324 22.630 -8.373 -1.832 1.00 73.22 H new ATOM 0 HZ1 LYS A 324 23.064 -7.288 -3.877 1.00 45.12 H new ATOM 0 HZ2 LYS A 324 21.613 -8.149 -4.071 1.00 45.12 H new ATOM 0 HZ3 LYS A 324 21.579 -6.466 -3.853 1.00 45.12 H new ATOM 136 N GLY A 325 20.928 -4.098 -3.197 1.00 12.04 N ATOM 137 CA GLY A 325 22.032 -3.332 -3.721 1.00 71.40 C ATOM 138 C GLY A 325 23.330 -3.590 -3.017 1.00 15.11 C ATOM 139 O GLY A 325 23.435 -4.557 -2.250 1.00 53.32 O ATOM 0 H GLY A 325 21.078 -4.532 -2.286 1.00 12.04 H new ATOM 0 HA2 GLY A 325 22.151 -3.560 -4.780 1.00 71.40 H new ATOM 0 HA3 GLY A 325 21.794 -2.271 -3.648 1.00 71.40 H new ATOM 143 N PRO A 326 24.343 -2.731 -3.257 1.00 62.21 N ATOM 144 CA PRO A 326 25.687 -2.865 -2.669 1.00 55.11 C ATOM 145 C PRO A 326 25.687 -2.639 -1.163 1.00 44.44 C ATOM 146 O PRO A 326 26.420 -3.278 -0.438 1.00 24.21 O ATOM 147 CB PRO A 326 26.510 -1.767 -3.369 1.00 11.33 C ATOM 148 CG PRO A 326 25.693 -1.344 -4.543 1.00 61.24 C ATOM 149 CD PRO A 326 24.264 -1.565 -4.156 1.00 42.35 C ATOM 0 HA PRO A 326 26.086 -3.869 -2.812 1.00 55.11 H new ATOM 0 HB2 PRO A 326 26.696 -0.928 -2.698 1.00 11.33 H new ATOM 0 HB3 PRO A 326 27.482 -2.146 -3.684 1.00 11.33 H new ATOM 0 HG2 PRO A 326 25.873 -0.297 -4.786 1.00 61.24 H new ATOM 0 HG3 PRO A 326 25.952 -1.926 -5.428 1.00 61.24 H new ATOM 0 HD2 PRO A 326 23.842 -0.695 -3.653 1.00 42.35 H new ATOM 0 HD3 PRO A 326 23.637 -1.766 -5.024 1.00 42.35 H new ATOM 157 N LYS A 327 24.844 -1.732 -0.705 1.00 63.24 N ATOM 158 CA LYS A 327 24.742 -1.451 0.726 1.00 53.45 C ATOM 159 C LYS A 327 23.534 -2.179 1.298 1.00 51.30 C ATOM 160 O LYS A 327 23.040 -1.843 2.362 1.00 13.02 O ATOM 161 CB LYS A 327 24.622 0.067 1.017 1.00 2.04 C ATOM 162 CG LYS A 327 25.800 0.932 0.551 1.00 23.23 C ATOM 163 CD LYS A 327 25.806 2.275 1.310 1.00 40.24 C ATOM 164 CE LYS A 327 26.944 3.237 0.897 1.00 65.40 C ATOM 165 NZ LYS A 327 26.671 3.958 -0.379 1.00 10.52 N ATOM 0 H LYS A 327 24.222 -1.178 -1.293 1.00 63.24 H new ATOM 0 HA LYS A 327 25.658 -1.804 1.201 1.00 53.45 H new ATOM 0 HB2 LYS A 327 23.714 0.438 0.542 1.00 2.04 H new ATOM 0 HB3 LYS A 327 24.499 0.203 2.091 1.00 2.04 H new ATOM 0 HG2 LYS A 327 26.738 0.405 0.722 1.00 23.23 H new ATOM 0 HG3 LYS A 327 25.727 1.112 -0.522 1.00 23.23 H new ATOM 0 HD2 LYS A 327 24.850 2.773 1.150 1.00 40.24 H new ATOM 0 HD3 LYS A 327 25.886 2.074 2.378 1.00 40.24 H new ATOM 0 HE2 LYS A 327 27.101 3.966 1.692 1.00 65.40 H new ATOM 0 HE3 LYS A 327 27.870 2.671 0.796 1.00 65.40 H new ATOM 0 HZ1 LYS A 327 27.516 4.494 -0.662 1.00 10.52 H new ATOM 0 HZ2 LYS A 327 26.432 3.271 -1.122 1.00 10.52 H new ATOM 0 HZ3 LYS A 327 25.874 4.613 -0.244 1.00 10.52 H new ATOM 179 N GLY A 328 23.086 -3.186 0.576 1.00 63.11 N ATOM 180 CA GLY A 328 21.909 -3.912 0.959 1.00 65.35 C ATOM 181 C GLY A 328 20.728 -3.178 0.439 1.00 13.33 C ATOM 182 O GLY A 328 20.661 -2.890 -0.751 1.00 42.23 O ATOM 0 H GLY A 328 23.527 -3.516 -0.282 1.00 63.11 H new ATOM 0 HA2 GLY A 328 21.937 -4.924 0.555 1.00 65.35 H new ATOM 0 HA3 GLY A 328 21.854 -4.003 2.044 1.00 65.35 H new ATOM 186 N LEU A 329 19.831 -2.832 1.287 1.00 13.14 N ATOM 187 CA LEU A 329 18.718 -2.021 0.873 1.00 24.43 C ATOM 188 C LEU A 329 19.091 -0.592 1.125 1.00 3.03 C ATOM 189 O LEU A 329 18.658 0.337 0.402 1.00 5.32 O ATOM 190 CB LEU A 329 17.405 -2.411 1.563 1.00 42.12 C ATOM 191 CG LEU A 329 16.715 -3.692 1.045 1.00 22.41 C ATOM 192 CD1 LEU A 329 17.554 -4.933 1.269 1.00 40.14 C ATOM 193 CD2 LEU A 329 15.330 -3.858 1.648 1.00 63.51 C ATOM 0 H LEU A 329 19.834 -3.091 2.274 1.00 13.14 H new ATOM 0 HA LEU A 329 18.523 -2.180 -0.188 1.00 24.43 H new ATOM 0 HB2 LEU A 329 17.602 -2.535 2.628 1.00 42.12 H new ATOM 0 HB3 LEU A 329 16.706 -1.581 1.462 1.00 42.12 H new ATOM 0 HG LEU A 329 16.606 -3.571 -0.033 1.00 22.41 H new ATOM 0 HD11 LEU A 329 17.023 -5.805 0.887 1.00 40.14 H new ATOM 0 HD12 LEU A 329 18.505 -4.829 0.746 1.00 40.14 H new ATOM 0 HD13 LEU A 329 17.739 -5.059 2.336 1.00 40.14 H new ATOM 0 HD21 LEU A 329 14.872 -4.769 1.263 1.00 63.51 H new ATOM 0 HD22 LEU A 329 15.411 -3.924 2.733 1.00 63.51 H new ATOM 0 HD23 LEU A 329 14.712 -3.001 1.382 1.00 63.51 H new ATOM 205 N GLY A 330 19.940 -0.436 2.135 1.00 41.44 N ATOM 206 CA GLY A 330 20.551 0.815 2.449 1.00 50.44 C ATOM 207 C GLY A 330 19.660 1.774 3.166 1.00 53.33 C ATOM 208 O GLY A 330 19.667 2.957 2.883 1.00 11.15 O ATOM 0 H GLY A 330 20.216 -1.196 2.757 1.00 41.44 H new ATOM 0 HA2 GLY A 330 21.434 0.631 3.061 1.00 50.44 H new ATOM 0 HA3 GLY A 330 20.895 1.279 1.525 1.00 50.44 H new ATOM 212 N PHE A 331 18.881 1.291 4.072 1.00 62.41 N ATOM 213 CA PHE A 331 18.110 2.171 4.893 1.00 75.42 C ATOM 214 C PHE A 331 18.022 1.627 6.277 1.00 53.40 C ATOM 215 O PHE A 331 18.098 0.415 6.485 1.00 5.32 O ATOM 216 CB PHE A 331 16.734 2.549 4.299 1.00 11.52 C ATOM 217 CG PHE A 331 15.730 1.450 4.131 1.00 62.31 C ATOM 218 CD1 PHE A 331 15.791 0.596 3.057 1.00 22.35 C ATOM 219 CD2 PHE A 331 14.698 1.307 5.029 1.00 65.23 C ATOM 220 CE1 PHE A 331 14.842 -0.387 2.883 1.00 4.24 C ATOM 221 CE2 PHE A 331 13.745 0.333 4.855 1.00 33.43 C ATOM 222 CZ PHE A 331 13.818 -0.514 3.781 1.00 25.25 C ATOM 0 H PHE A 331 18.759 0.297 4.266 1.00 62.41 H new ATOM 0 HA PHE A 331 18.640 3.123 4.931 1.00 75.42 H new ATOM 0 HB2 PHE A 331 16.291 3.315 4.936 1.00 11.52 H new ATOM 0 HB3 PHE A 331 16.902 3.004 3.323 1.00 11.52 H new ATOM 0 HD1 PHE A 331 16.593 0.696 2.340 1.00 22.35 H new ATOM 0 HD2 PHE A 331 14.636 1.968 5.881 1.00 65.23 H new ATOM 0 HE1 PHE A 331 14.906 -1.057 2.038 1.00 4.24 H new ATOM 0 HE2 PHE A 331 12.938 0.235 5.566 1.00 33.43 H new ATOM 0 HZ PHE A 331 13.069 -1.280 3.644 1.00 25.25 H new ATOM 232 N SER A 332 17.919 2.507 7.211 1.00 73.20 N ATOM 233 CA SER A 332 17.906 2.171 8.579 1.00 30.33 C ATOM 234 C SER A 332 16.498 2.299 9.137 1.00 72.43 C ATOM 235 O SER A 332 15.833 3.341 8.988 1.00 30.12 O ATOM 236 CB SER A 332 18.855 3.077 9.294 1.00 75.10 C ATOM 237 OG SER A 332 20.098 3.117 8.609 1.00 0.22 O ATOM 0 H SER A 332 17.840 3.508 7.032 1.00 73.20 H new ATOM 0 HA SER A 332 18.220 1.137 8.719 1.00 30.33 H new ATOM 0 HB2 SER A 332 18.434 4.080 9.359 1.00 75.10 H new ATOM 0 HB3 SER A 332 19.005 2.727 10.316 1.00 75.10 H new ATOM 0 HG SER A 332 20.714 3.714 9.083 1.00 0.22 H new ATOM 243 N ILE A 333 16.055 1.261 9.757 1.00 11.02 N ATOM 244 CA ILE A 333 14.727 1.172 10.293 1.00 53.23 C ATOM 245 C ILE A 333 14.776 1.054 11.797 1.00 60.05 C ATOM 246 O ILE A 333 15.691 0.449 12.343 1.00 3.52 O ATOM 247 CB ILE A 333 13.974 -0.056 9.716 1.00 62.43 C ATOM 248 CG1 ILE A 333 14.845 -1.324 9.865 1.00 30.22 C ATOM 249 CG2 ILE A 333 13.598 0.190 8.268 1.00 3.24 C ATOM 250 CD1 ILE A 333 14.158 -2.610 9.505 1.00 73.45 C ATOM 0 H ILE A 333 16.616 0.424 9.913 1.00 11.02 H new ATOM 0 HA ILE A 333 14.195 2.081 10.011 1.00 53.23 H new ATOM 0 HB ILE A 333 13.052 -0.209 10.277 1.00 62.43 H new ATOM 0 HG12 ILE A 333 15.730 -1.214 9.239 1.00 30.22 H new ATOM 0 HG13 ILE A 333 15.191 -1.390 10.897 1.00 30.22 H new ATOM 0 HG21 ILE A 333 13.070 -0.680 7.876 1.00 3.24 H new ATOM 0 HG22 ILE A 333 12.952 1.066 8.204 1.00 3.24 H new ATOM 0 HG23 ILE A 333 14.501 0.361 7.682 1.00 3.24 H new ATOM 0 HD11 ILE A 333 14.849 -3.442 9.642 1.00 73.45 H new ATOM 0 HD12 ILE A 333 13.289 -2.751 10.148 1.00 73.45 H new ATOM 0 HD13 ILE A 333 13.837 -2.572 8.464 1.00 73.45 H new ATOM 262 N ALA A 334 13.831 1.663 12.433 1.00 33.32 N ATOM 263 CA ALA A 334 13.656 1.597 13.849 1.00 41.01 C ATOM 264 C ALA A 334 12.220 1.253 14.091 1.00 14.24 C ATOM 265 O ALA A 334 11.308 1.986 13.675 1.00 63.42 O ATOM 266 CB ALA A 334 13.985 2.932 14.500 1.00 14.02 C ATOM 0 H ALA A 334 13.133 2.242 11.965 1.00 33.32 H new ATOM 0 HA ALA A 334 14.323 0.851 14.281 1.00 41.01 H new ATOM 0 HB1 ALA A 334 13.844 2.856 15.578 1.00 14.02 H new ATOM 0 HB2 ALA A 334 15.021 3.195 14.287 1.00 14.02 H new ATOM 0 HB3 ALA A 334 13.326 3.703 14.102 1.00 14.02 H new ATOM 272 N GLY A 335 12.003 0.119 14.636 1.00 13.54 N ATOM 273 CA GLY A 335 10.692 -0.281 14.960 1.00 21.24 C ATOM 274 C GLY A 335 10.656 -1.719 15.301 1.00 61.20 C ATOM 275 O GLY A 335 11.626 -2.438 15.075 1.00 21.34 O ATOM 0 H GLY A 335 12.729 -0.558 14.870 1.00 13.54 H new ATOM 0 HA2 GLY A 335 10.324 0.307 15.801 1.00 21.24 H new ATOM 0 HA3 GLY A 335 10.028 -0.085 14.119 1.00 21.24 H new ATOM 279 N GLY A 336 9.591 -2.127 15.868 1.00 42.13 N ATOM 280 CA GLY A 336 9.431 -3.463 16.293 1.00 51.41 C ATOM 281 C GLY A 336 8.873 -3.416 17.652 1.00 70.54 C ATOM 282 O GLY A 336 8.715 -2.307 18.176 1.00 23.24 O ATOM 0 H GLY A 336 8.786 -1.530 16.055 1.00 42.13 H new ATOM 0 HA2 GLY A 336 8.765 -4.005 15.621 1.00 51.41 H new ATOM 0 HA3 GLY A 336 10.387 -3.987 16.286 1.00 51.41 H new ATOM 286 N VAL A 337 8.581 -4.562 18.239 1.00 40.30 N ATOM 287 CA VAL A 337 8.049 -4.620 19.596 1.00 51.43 C ATOM 288 C VAL A 337 9.002 -3.912 20.564 1.00 2.11 C ATOM 289 O VAL A 337 10.037 -4.452 20.948 1.00 64.31 O ATOM 290 CB VAL A 337 7.819 -6.091 20.073 1.00 15.03 C ATOM 291 CG1 VAL A 337 7.218 -6.128 21.477 1.00 3.21 C ATOM 292 CG2 VAL A 337 6.927 -6.852 19.101 1.00 22.54 C ATOM 0 H VAL A 337 8.703 -5.473 17.797 1.00 40.30 H new ATOM 0 HA VAL A 337 7.083 -4.115 19.588 1.00 51.43 H new ATOM 0 HB VAL A 337 8.793 -6.579 20.101 1.00 15.03 H new ATOM 0 HG11 VAL A 337 7.069 -7.164 21.782 1.00 3.21 H new ATOM 0 HG12 VAL A 337 7.896 -5.638 22.176 1.00 3.21 H new ATOM 0 HG13 VAL A 337 6.260 -5.609 21.476 1.00 3.21 H new ATOM 0 HG21 VAL A 337 6.785 -7.872 19.459 1.00 22.54 H new ATOM 0 HG22 VAL A 337 5.960 -6.355 19.029 1.00 22.54 H new ATOM 0 HG23 VAL A 337 7.397 -6.875 18.118 1.00 22.54 H new ATOM 302 N GLY A 338 8.667 -2.687 20.898 1.00 44.43 N ATOM 303 CA GLY A 338 9.458 -1.919 21.812 1.00 33.43 C ATOM 304 C GLY A 338 10.475 -0.988 21.137 1.00 33.13 C ATOM 305 O GLY A 338 11.119 -0.198 21.831 1.00 4.00 O ATOM 0 H GLY A 338 7.842 -2.203 20.542 1.00 44.43 H new ATOM 0 HA2 GLY A 338 8.794 -1.321 22.436 1.00 33.43 H new ATOM 0 HA3 GLY A 338 9.991 -2.601 22.475 1.00 33.43 H new ATOM 309 N ASN A 339 10.700 -1.123 19.820 1.00 11.01 N ATOM 310 CA ASN A 339 11.614 -0.172 19.118 1.00 3.33 C ATOM 311 C ASN A 339 10.790 0.772 18.257 1.00 42.41 C ATOM 312 O ASN A 339 11.315 1.507 17.435 1.00 34.13 O ATOM 313 CB ASN A 339 12.758 -0.850 18.255 1.00 13.12 C ATOM 314 CG ASN A 339 13.848 0.178 17.875 1.00 41.11 C ATOM 315 OD1 ASN A 339 14.041 1.150 18.579 1.00 0.33 O ATOM 316 ND2 ASN A 339 14.624 -0.074 16.852 1.00 43.41 N ATOM 0 H ASN A 339 10.287 -1.845 19.230 1.00 11.01 H new ATOM 0 HA ASN A 339 12.143 0.370 19.902 1.00 3.33 H new ATOM 0 HB2 ASN A 339 13.206 -1.669 18.818 1.00 13.12 H new ATOM 0 HB3 ASN A 339 12.329 -1.282 17.351 1.00 13.12 H new ATOM 0 HD21 ASN A 339 15.403 0.549 16.637 1.00 43.41 H new ATOM 0 HD22 ASN A 339 14.450 -0.893 16.270 1.00 43.41 H new ATOM 323 N GLN A 340 9.485 0.726 18.448 1.00 41.23 N ATOM 324 CA GLN A 340 8.568 1.533 17.687 1.00 44.34 C ATOM 325 C GLN A 340 8.875 3.024 17.706 1.00 14.53 C ATOM 326 O GLN A 340 8.988 3.649 18.750 1.00 63.13 O ATOM 327 CB GLN A 340 7.088 1.194 17.980 1.00 71.23 C ATOM 328 CG GLN A 340 6.729 0.794 19.426 1.00 10.05 C ATOM 329 CD GLN A 340 6.904 1.872 20.480 1.00 21.33 C ATOM 330 OE1 GLN A 340 6.602 3.096 20.153 1.00 4.20 O flip ATOM 331 NE2 GLN A 340 7.232 1.571 21.617 1.00 15.41 N flip ATOM 0 H GLN A 340 9.036 0.124 19.139 1.00 41.23 H new ATOM 0 HA GLN A 340 8.736 1.249 16.648 1.00 44.34 H new ATOM 0 HB2 GLN A 340 6.483 2.059 17.709 1.00 71.23 H new ATOM 0 HB3 GLN A 340 6.791 0.379 17.320 1.00 71.23 H new ATOM 0 HG2 GLN A 340 5.691 0.463 19.443 1.00 10.05 H new ATOM 0 HG3 GLN A 340 7.341 -0.063 19.707 1.00 10.05 H new ATOM 0 HE21 GLN A 340 7.463 0.603 21.842 1.00 15.41 H new ATOM 0 HE22 GLN A 340 7.275 2.287 22.342 1.00 15.41 H new ATOM 340 N HIS A 341 9.056 3.547 16.517 1.00 20.11 N ATOM 341 CA HIS A 341 9.358 4.947 16.289 1.00 20.55 C ATOM 342 C HIS A 341 8.147 5.802 16.689 1.00 75.13 C ATOM 343 O HIS A 341 8.283 6.899 17.218 1.00 13.40 O ATOM 344 CB HIS A 341 9.708 5.106 14.791 1.00 64.45 C ATOM 345 CG HIS A 341 10.110 6.481 14.318 1.00 24.03 C ATOM 346 ND1 HIS A 341 11.369 6.789 13.840 1.00 41.21 N ATOM 347 CD2 HIS A 341 9.379 7.617 14.184 1.00 72.31 C ATOM 348 CE1 HIS A 341 11.359 8.065 13.446 1.00 45.55 C ATOM 349 NE2 HIS A 341 10.176 8.612 13.632 1.00 74.34 N ATOM 0 H HIS A 341 8.997 3.001 15.658 1.00 20.11 H new ATOM 0 HA HIS A 341 10.202 5.282 16.892 1.00 20.55 H new ATOM 0 HB2 HIS A 341 10.521 4.418 14.559 1.00 64.45 H new ATOM 0 HB3 HIS A 341 8.845 4.787 14.207 1.00 64.45 H new ATOM 0 HD2 HIS A 341 8.342 7.729 14.463 1.00 72.31 H new ATOM 0 HE1 HIS A 341 12.211 8.581 13.029 1.00 45.55 H new ATOM 0 HE2 HIS A 341 9.901 9.570 13.415 1.00 74.34 H new ATOM 357 N ILE A 342 6.973 5.269 16.454 1.00 65.11 N ATOM 358 CA ILE A 342 5.752 5.950 16.794 1.00 53.40 C ATOM 359 C ILE A 342 5.140 5.315 18.038 1.00 2.33 C ATOM 360 O ILE A 342 4.880 4.103 18.062 1.00 70.14 O ATOM 361 CB ILE A 342 4.743 5.937 15.608 1.00 23.31 C ATOM 362 CG1 ILE A 342 5.294 6.747 14.417 1.00 44.44 C ATOM 363 CG2 ILE A 342 3.366 6.451 16.024 1.00 62.44 C ATOM 364 CD1 ILE A 342 5.540 8.224 14.698 1.00 31.45 C ATOM 0 H ILE A 342 6.839 4.354 16.023 1.00 65.11 H new ATOM 0 HA ILE A 342 5.985 6.994 17.006 1.00 53.40 H new ATOM 0 HB ILE A 342 4.619 4.900 15.296 1.00 23.31 H new ATOM 0 HG12 ILE A 342 6.231 6.294 14.092 1.00 44.44 H new ATOM 0 HG13 ILE A 342 4.594 6.663 13.586 1.00 44.44 H new ATOM 0 HG21 ILE A 342 2.694 6.425 15.167 1.00 62.44 H new ATOM 0 HG22 ILE A 342 2.967 5.820 16.818 1.00 62.44 H new ATOM 0 HG23 ILE A 342 3.454 7.476 16.385 1.00 62.44 H new ATOM 0 HD11 ILE A 342 5.926 8.706 13.800 1.00 31.45 H new ATOM 0 HD12 ILE A 342 4.604 8.700 14.991 1.00 31.45 H new ATOM 0 HD13 ILE A 342 6.266 8.325 15.505 1.00 31.45 H new ATOM 376 N PRO A 343 4.969 6.096 19.116 1.00 4.42 N ATOM 377 CA PRO A 343 4.353 5.616 20.350 1.00 23.33 C ATOM 378 C PRO A 343 2.911 5.170 20.121 1.00 74.23 C ATOM 379 O PRO A 343 2.039 5.983 19.849 1.00 12.41 O ATOM 380 CB PRO A 343 4.392 6.834 21.289 1.00 21.23 C ATOM 381 CG PRO A 343 5.413 7.744 20.703 1.00 62.25 C ATOM 382 CD PRO A 343 5.374 7.514 19.224 1.00 53.44 C ATOM 0 HA PRO A 343 4.874 4.748 20.753 1.00 23.33 H new ATOM 0 HB2 PRO A 343 3.418 7.319 21.345 1.00 21.23 H new ATOM 0 HB3 PRO A 343 4.661 6.541 22.304 1.00 21.23 H new ATOM 0 HG2 PRO A 343 5.191 8.784 20.942 1.00 62.25 H new ATOM 0 HG3 PRO A 343 6.403 7.529 21.105 1.00 62.25 H new ATOM 0 HD2 PRO A 343 4.661 8.176 18.732 1.00 53.44 H new ATOM 0 HD3 PRO A 343 6.345 7.692 18.763 1.00 53.44 H new ATOM 390 N GLY A 344 2.688 3.875 20.182 1.00 32.40 N ATOM 391 CA GLY A 344 1.357 3.350 19.997 1.00 4.11 C ATOM 392 C GLY A 344 1.229 2.579 18.707 1.00 5.15 C ATOM 393 O GLY A 344 0.291 1.817 18.526 1.00 73.11 O ATOM 0 H GLY A 344 3.407 3.173 20.357 1.00 32.40 H new ATOM 0 HA2 GLY A 344 1.104 2.700 20.835 1.00 4.11 H new ATOM 0 HA3 GLY A 344 0.639 4.171 20.002 1.00 4.11 H new ATOM 397 N ASP A 345 2.192 2.746 17.831 1.00 71.42 N ATOM 398 CA ASP A 345 2.177 2.067 16.552 1.00 25.50 C ATOM 399 C ASP A 345 3.416 1.206 16.498 1.00 34.21 C ATOM 400 O ASP A 345 4.515 1.685 16.219 1.00 21.24 O ATOM 401 CB ASP A 345 2.157 3.080 15.406 1.00 14.31 C ATOM 402 CG ASP A 345 1.925 2.452 14.051 1.00 25.21 C ATOM 403 OD1 ASP A 345 2.884 1.988 13.449 1.00 42.21 O ATOM 404 OD2 ASP A 345 0.778 2.462 13.548 1.00 24.44 O ATOM 0 H ASP A 345 3.001 3.349 17.980 1.00 71.42 H new ATOM 0 HA ASP A 345 1.282 1.454 16.445 1.00 25.50 H new ATOM 0 HB2 ASP A 345 1.375 3.816 15.595 1.00 14.31 H new ATOM 0 HB3 ASP A 345 3.105 3.618 15.391 1.00 14.31 H new ATOM 409 N ASN A 346 3.237 -0.056 16.806 1.00 2.03 N ATOM 410 CA ASN A 346 4.329 -1.006 17.039 1.00 32.41 C ATOM 411 C ASN A 346 4.930 -1.560 15.715 1.00 53.33 C ATOM 412 O ASN A 346 5.408 -2.699 15.643 1.00 50.03 O ATOM 413 CB ASN A 346 3.771 -2.128 17.928 1.00 64.40 C ATOM 414 CG ASN A 346 4.830 -2.959 18.608 1.00 72.13 C ATOM 415 OD1 ASN A 346 5.932 -2.488 18.889 1.00 55.21 O ATOM 416 ND2 ASN A 346 4.487 -4.152 18.957 1.00 64.15 N ATOM 0 H ASN A 346 2.312 -0.473 16.907 1.00 2.03 H new ATOM 0 HA ASN A 346 5.159 -0.502 17.535 1.00 32.41 H new ATOM 0 HB2 ASN A 346 3.126 -1.688 18.688 1.00 64.40 H new ATOM 0 HB3 ASN A 346 3.146 -2.782 17.320 1.00 64.40 H new ATOM 0 HD21 ASN A 346 5.137 -4.736 19.482 1.00 64.15 H new ATOM 0 HD22 ASN A 346 3.566 -4.511 18.708 1.00 64.15 H new ATOM 423 N SER A 347 4.968 -0.721 14.713 1.00 70.24 N ATOM 424 CA SER A 347 5.469 -1.087 13.412 1.00 3.52 C ATOM 425 C SER A 347 6.915 -0.662 13.197 1.00 10.25 C ATOM 426 O SER A 347 7.562 -0.064 14.084 1.00 31.23 O ATOM 427 CB SER A 347 4.568 -0.516 12.344 1.00 75.43 C ATOM 428 OG SER A 347 3.299 -1.088 12.465 1.00 21.42 O ATOM 0 H SER A 347 4.649 0.246 14.777 1.00 70.24 H new ATOM 0 HA SER A 347 5.463 -2.175 13.348 1.00 3.52 H new ATOM 0 HB2 SER A 347 4.504 0.567 12.446 1.00 75.43 H new ATOM 0 HB3 SER A 347 4.980 -0.720 11.356 1.00 75.43 H new ATOM 0 HG SER A 347 3.051 -1.517 11.619 1.00 21.42 H new ATOM 434 N ILE A 348 7.420 -0.999 12.034 1.00 50.11 N ATOM 435 CA ILE A 348 8.780 -0.735 11.658 1.00 23.33 C ATOM 436 C ILE A 348 8.812 0.580 10.900 1.00 23.42 C ATOM 437 O ILE A 348 8.030 0.770 9.984 1.00 23.31 O ATOM 438 CB ILE A 348 9.294 -1.861 10.728 1.00 44.54 C ATOM 439 CG1 ILE A 348 8.902 -3.258 11.265 1.00 54.51 C ATOM 440 CG2 ILE A 348 10.794 -1.761 10.533 1.00 14.04 C ATOM 441 CD1 ILE A 348 9.360 -3.556 12.672 1.00 5.45 C ATOM 0 H ILE A 348 6.881 -1.475 11.310 1.00 50.11 H new ATOM 0 HA ILE A 348 9.410 -0.687 12.546 1.00 23.33 H new ATOM 0 HB ILE A 348 8.815 -1.731 9.757 1.00 44.54 H new ATOM 0 HG12 ILE A 348 7.817 -3.354 11.225 1.00 54.51 H new ATOM 0 HG13 ILE A 348 9.314 -4.015 10.598 1.00 54.51 H new ATOM 0 HG21 ILE A 348 11.130 -2.563 9.876 1.00 14.04 H new ATOM 0 HG22 ILE A 348 11.039 -0.798 10.085 1.00 14.04 H new ATOM 0 HG23 ILE A 348 11.293 -1.850 11.498 1.00 14.04 H new ATOM 0 HD11 ILE A 348 9.036 -4.558 12.956 1.00 5.45 H new ATOM 0 HD12 ILE A 348 10.447 -3.499 12.720 1.00 5.45 H new ATOM 0 HD13 ILE A 348 8.927 -2.827 13.357 1.00 5.45 H new ATOM 453 N TYR A 349 9.684 1.485 11.271 1.00 12.34 N ATOM 454 CA TYR A 349 9.723 2.777 10.618 1.00 63.23 C ATOM 455 C TYR A 349 11.069 3.096 10.055 1.00 34.44 C ATOM 456 O TYR A 349 12.092 2.905 10.706 1.00 22.11 O ATOM 457 CB TYR A 349 9.291 3.893 11.564 1.00 51.34 C ATOM 458 CG TYR A 349 7.808 3.974 11.781 1.00 35.24 C ATOM 459 CD1 TYR A 349 7.130 3.022 12.524 1.00 42.41 C ATOM 460 CD2 TYR A 349 7.084 5.006 11.224 1.00 44.43 C ATOM 461 CE1 TYR A 349 5.773 3.095 12.692 1.00 0.14 C ATOM 462 CE2 TYR A 349 5.731 5.091 11.394 1.00 40.43 C ATOM 463 CZ TYR A 349 5.077 4.131 12.121 1.00 22.13 C ATOM 464 OH TYR A 349 3.724 4.207 12.280 1.00 12.41 O ATOM 0 H TYR A 349 10.371 1.357 12.014 1.00 12.34 H new ATOM 0 HA TYR A 349 9.017 2.714 9.790 1.00 63.23 H new ATOM 0 HB2 TYR A 349 9.781 3.748 12.527 1.00 51.34 H new ATOM 0 HB3 TYR A 349 9.642 4.846 11.168 1.00 51.34 H new ATOM 0 HD1 TYR A 349 7.680 2.210 12.977 1.00 42.41 H new ATOM 0 HD2 TYR A 349 7.595 5.760 10.643 1.00 44.43 H new ATOM 0 HE1 TYR A 349 5.255 2.344 13.269 1.00 0.14 H new ATOM 0 HE2 TYR A 349 5.180 5.911 10.958 1.00 40.43 H new ATOM 0 HH TYR A 349 3.348 3.303 12.322 1.00 12.41 H new ATOM 474 N VAL A 350 11.063 3.577 8.843 1.00 63.22 N ATOM 475 CA VAL A 350 12.262 4.025 8.176 1.00 52.45 C ATOM 476 C VAL A 350 12.726 5.282 8.892 1.00 73.15 C ATOM 477 O VAL A 350 12.053 6.288 8.855 1.00 1.44 O ATOM 478 CB VAL A 350 11.976 4.355 6.693 1.00 64.51 C ATOM 479 CG1 VAL A 350 13.249 4.749 5.970 1.00 10.41 C ATOM 480 CG2 VAL A 350 11.301 3.183 5.997 1.00 65.42 C ATOM 0 H VAL A 350 10.217 3.672 8.281 1.00 63.22 H new ATOM 0 HA VAL A 350 13.022 3.244 8.204 1.00 52.45 H new ATOM 0 HB VAL A 350 11.294 5.205 6.664 1.00 64.51 H new ATOM 0 HG11 VAL A 350 13.021 4.976 4.929 1.00 10.41 H new ATOM 0 HG12 VAL A 350 13.681 5.629 6.447 1.00 10.41 H new ATOM 0 HG13 VAL A 350 13.962 3.926 6.014 1.00 10.41 H new ATOM 0 HG21 VAL A 350 11.110 3.440 4.955 1.00 65.42 H new ATOM 0 HG22 VAL A 350 11.951 2.309 6.042 1.00 65.42 H new ATOM 0 HG23 VAL A 350 10.357 2.959 6.494 1.00 65.42 H new ATOM 490 N THR A 351 13.830 5.203 9.568 1.00 51.12 N ATOM 491 CA THR A 351 14.277 6.301 10.390 1.00 32.42 C ATOM 492 C THR A 351 15.481 7.036 9.766 1.00 54.21 C ATOM 493 O THR A 351 15.711 8.215 10.019 1.00 4.21 O ATOM 494 CB THR A 351 14.574 5.763 11.798 1.00 52.34 C ATOM 495 OG1 THR A 351 13.382 5.090 12.254 1.00 71.23 O ATOM 496 CG2 THR A 351 14.910 6.880 12.773 1.00 4.33 C ATOM 0 H THR A 351 14.445 4.389 9.571 1.00 51.12 H new ATOM 0 HA THR A 351 13.491 7.053 10.458 1.00 32.42 H new ATOM 0 HB THR A 351 15.435 5.096 11.754 1.00 52.34 H new ATOM 0 HG1 THR A 351 12.817 5.722 12.746 1.00 71.23 H new ATOM 0 HG21 THR A 351 15.113 6.456 13.756 1.00 4.33 H new ATOM 0 HG22 THR A 351 15.790 7.418 12.421 1.00 4.33 H new ATOM 0 HG23 THR A 351 14.068 7.568 12.842 1.00 4.33 H new ATOM 504 N LYS A 352 16.211 6.348 8.931 1.00 20.52 N ATOM 505 CA LYS A 352 17.326 6.928 8.204 1.00 23.50 C ATOM 506 C LYS A 352 17.442 6.205 6.881 1.00 71.41 C ATOM 507 O LYS A 352 17.071 5.045 6.793 1.00 13.41 O ATOM 508 CB LYS A 352 18.669 6.804 8.988 1.00 34.35 C ATOM 509 CG LYS A 352 18.888 7.768 10.163 1.00 12.35 C ATOM 510 CD LYS A 352 20.305 7.616 10.737 1.00 30.53 C ATOM 511 CE LYS A 352 20.578 8.558 11.923 1.00 72.23 C ATOM 512 NZ LYS A 352 19.859 8.172 13.168 1.00 13.11 N ATOM 0 H LYS A 352 16.054 5.361 8.729 1.00 20.52 H new ATOM 0 HA LYS A 352 17.137 7.992 8.061 1.00 23.50 H new ATOM 0 HB2 LYS A 352 18.745 5.785 9.368 1.00 34.35 H new ATOM 0 HB3 LYS A 352 19.487 6.942 8.281 1.00 34.35 H new ATOM 0 HG2 LYS A 352 18.734 8.795 9.831 1.00 12.35 H new ATOM 0 HG3 LYS A 352 18.152 7.571 10.943 1.00 12.35 H new ATOM 0 HD2 LYS A 352 20.452 6.585 11.058 1.00 30.53 H new ATOM 0 HD3 LYS A 352 21.033 7.812 9.950 1.00 30.53 H new ATOM 0 HE2 LYS A 352 21.649 8.576 12.123 1.00 72.23 H new ATOM 0 HE3 LYS A 352 20.288 9.572 11.645 1.00 72.23 H new ATOM 0 HZ1 LYS A 352 19.863 8.972 13.833 1.00 13.11 H new ATOM 0 HZ2 LYS A 352 18.877 7.918 12.937 1.00 13.11 H new ATOM 0 HZ3 LYS A 352 20.334 7.356 13.605 1.00 13.11 H new ATOM 526 N ILE A 353 17.909 6.871 5.858 1.00 20.14 N ATOM 527 CA ILE A 353 18.099 6.236 4.567 1.00 33.50 C ATOM 528 C ILE A 353 19.519 6.525 4.093 1.00 70.55 C ATOM 529 O ILE A 353 19.924 7.680 3.996 1.00 73.33 O ATOM 530 CB ILE A 353 17.053 6.696 3.498 1.00 72.13 C ATOM 531 CG1 ILE A 353 15.626 6.437 3.990 1.00 43.51 C ATOM 532 CG2 ILE A 353 17.279 5.941 2.206 1.00 4.42 C ATOM 533 CD1 ILE A 353 14.544 6.929 3.049 1.00 52.11 C ATOM 0 H ILE A 353 18.168 7.857 5.887 1.00 20.14 H new ATOM 0 HA ILE A 353 17.945 5.164 4.689 1.00 33.50 H new ATOM 0 HB ILE A 353 17.180 7.766 3.330 1.00 72.13 H new ATOM 0 HG12 ILE A 353 15.496 5.366 4.146 1.00 43.51 H new ATOM 0 HG13 ILE A 353 15.495 6.918 4.959 1.00 43.51 H new ATOM 0 HG21 ILE A 353 16.549 6.264 1.464 1.00 4.42 H new ATOM 0 HG22 ILE A 353 18.285 6.143 1.838 1.00 4.42 H new ATOM 0 HG23 ILE A 353 17.166 4.872 2.385 1.00 4.42 H new ATOM 0 HD11 ILE A 353 13.565 6.706 3.472 1.00 52.11 H new ATOM 0 HD12 ILE A 353 14.643 8.006 2.911 1.00 52.11 H new ATOM 0 HD13 ILE A 353 14.645 6.429 2.086 1.00 52.11 H new ATOM 545 N ILE A 354 20.272 5.478 3.874 1.00 42.45 N ATOM 546 CA ILE A 354 21.672 5.566 3.506 1.00 4.02 C ATOM 547 C ILE A 354 21.798 5.708 1.989 1.00 24.23 C ATOM 548 O ILE A 354 21.210 4.896 1.224 1.00 23.12 O ATOM 549 CB ILE A 354 22.425 4.283 3.956 1.00 14.44 C ATOM 550 CG1 ILE A 354 22.135 3.958 5.441 1.00 40.50 C ATOM 551 CG2 ILE A 354 23.929 4.417 3.719 1.00 31.20 C ATOM 552 CD1 ILE A 354 22.601 5.011 6.437 1.00 62.33 C ATOM 0 H ILE A 354 19.928 4.520 3.946 1.00 42.45 H new ATOM 0 HA ILE A 354 22.109 6.435 3.998 1.00 4.02 H new ATOM 0 HB ILE A 354 22.058 3.455 3.350 1.00 14.44 H new ATOM 0 HG12 ILE A 354 21.061 3.816 5.562 1.00 40.50 H new ATOM 0 HG13 ILE A 354 22.612 3.010 5.689 1.00 40.50 H new ATOM 0 HG21 ILE A 354 24.431 3.505 4.043 1.00 31.20 H new ATOM 0 HG22 ILE A 354 24.117 4.577 2.657 1.00 31.20 H new ATOM 0 HG23 ILE A 354 24.313 5.264 4.288 1.00 31.20 H new ATOM 0 HD11 ILE A 354 22.352 4.690 7.449 1.00 62.33 H new ATOM 0 HD12 ILE A 354 23.680 5.140 6.352 1.00 62.33 H new ATOM 0 HD13 ILE A 354 22.105 5.958 6.224 1.00 62.33 H new ATOM 564 N GLU A 355 22.559 6.700 1.519 1.00 72.41 N ATOM 565 CA GLU A 355 22.714 6.847 0.109 1.00 74.41 C ATOM 566 C GLU A 355 23.447 5.620 -0.395 1.00 63.52 C ATOM 567 O GLU A 355 24.269 5.024 0.314 1.00 12.42 O ATOM 568 CB GLU A 355 23.444 8.173 -0.295 1.00 10.13 C ATOM 569 CG GLU A 355 24.995 8.172 -0.342 1.00 40.13 C ATOM 570 CD GLU A 355 25.537 7.390 -1.556 1.00 24.03 C ATOM 571 OE1 GLU A 355 25.032 7.627 -2.704 1.00 54.33 O ATOM 572 OE2 GLU A 355 26.349 6.443 -1.357 1.00 13.44 O ATOM 0 H GLU A 355 23.055 7.383 2.091 1.00 72.41 H new ATOM 0 HA GLU A 355 21.731 6.924 -0.356 1.00 74.41 H new ATOM 0 HB2 GLU A 355 23.081 8.466 -1.280 1.00 10.13 H new ATOM 0 HB3 GLU A 355 23.133 8.950 0.403 1.00 10.13 H new ATOM 0 HG2 GLU A 355 25.357 9.199 -0.382 1.00 40.13 H new ATOM 0 HG3 GLU A 355 25.385 7.732 0.576 1.00 40.13 H new ATOM 579 N GLY A 356 23.142 5.220 -1.570 1.00 33.10 N ATOM 580 CA GLY A 356 23.784 4.070 -2.122 1.00 71.14 C ATOM 581 C GLY A 356 22.946 2.876 -1.894 1.00 53.41 C ATOM 582 O GLY A 356 23.179 1.822 -2.482 1.00 61.11 O ATOM 0 H GLY A 356 22.453 5.665 -2.176 1.00 33.10 H new ATOM 0 HA2 GLY A 356 23.950 4.211 -3.190 1.00 71.14 H new ATOM 0 HA3 GLY A 356 24.763 3.932 -1.663 1.00 71.14 H new ATOM 586 N GLY A 357 21.990 3.023 -0.998 1.00 23.45 N ATOM 587 CA GLY A 357 21.019 2.037 -0.846 1.00 54.00 C ATOM 588 C GLY A 357 20.122 2.092 -2.030 1.00 2.21 C ATOM 589 O GLY A 357 19.780 3.206 -2.517 1.00 72.24 O ATOM 0 H GLY A 357 21.892 3.828 -0.379 1.00 23.45 H new ATOM 0 HA2 GLY A 357 21.483 1.054 -0.764 1.00 54.00 H new ATOM 0 HA3 GLY A 357 20.451 2.199 0.070 1.00 54.00 H new ATOM 593 N ALA A 358 19.744 0.960 -2.534 1.00 61.25 N ATOM 594 CA ALA A 358 18.871 0.929 -3.665 1.00 24.24 C ATOM 595 C ALA A 358 17.522 1.507 -3.279 1.00 4.52 C ATOM 596 O ALA A 358 16.823 2.076 -4.103 1.00 5.40 O ATOM 597 CB ALA A 358 18.754 -0.462 -4.225 1.00 12.20 C ATOM 0 H ALA A 358 20.026 0.045 -2.181 1.00 61.25 H new ATOM 0 HA ALA A 358 19.291 1.545 -4.460 1.00 24.24 H new ATOM 0 HB1 ALA A 358 18.083 -0.453 -5.084 1.00 12.20 H new ATOM 0 HB2 ALA A 358 19.738 -0.813 -4.536 1.00 12.20 H new ATOM 0 HB3 ALA A 358 18.356 -1.130 -3.461 1.00 12.20 H new ATOM 603 N ALA A 359 17.195 1.437 -1.993 1.00 51.54 N ATOM 604 CA ALA A 359 15.968 2.025 -1.520 1.00 14.01 C ATOM 605 C ALA A 359 16.070 3.562 -1.423 1.00 72.33 C ATOM 606 O ALA A 359 15.080 4.242 -1.199 1.00 21.02 O ATOM 607 CB ALA A 359 15.533 1.422 -0.216 1.00 30.41 C ATOM 0 H ALA A 359 17.760 0.983 -1.275 1.00 51.54 H new ATOM 0 HA ALA A 359 15.199 1.797 -2.258 1.00 14.01 H new ATOM 0 HB1 ALA A 359 14.604 1.890 0.110 1.00 30.41 H new ATOM 0 HB2 ALA A 359 15.374 0.351 -0.345 1.00 30.41 H new ATOM 0 HB3 ALA A 359 16.305 1.586 0.536 1.00 30.41 H new ATOM 613 N HIS A 360 17.263 4.092 -1.564 1.00 11.33 N ATOM 614 CA HIS A 360 17.433 5.531 -1.603 1.00 52.12 C ATOM 615 C HIS A 360 17.444 5.968 -3.064 1.00 13.13 C ATOM 616 O HIS A 360 16.971 7.043 -3.407 1.00 72.40 O ATOM 617 CB HIS A 360 18.748 5.966 -0.911 1.00 12.42 C ATOM 618 CG HIS A 360 18.913 7.469 -0.693 1.00 2.34 C ATOM 619 ND1 HIS A 360 18.406 8.450 -1.526 1.00 55.21 N ATOM 620 CD2 HIS A 360 19.547 8.135 0.301 1.00 41.05 C ATOM 621 CE1 HIS A 360 18.746 9.638 -1.025 1.00 52.35 C ATOM 622 NE2 HIS A 360 19.440 9.503 0.082 1.00 42.14 N ATOM 0 H HIS A 360 18.126 3.555 -1.653 1.00 11.33 H new ATOM 0 HA HIS A 360 16.611 6.004 -1.065 1.00 52.12 H new ATOM 0 HB2 HIS A 360 18.811 5.468 0.056 1.00 12.42 H new ATOM 0 HB3 HIS A 360 19.587 5.609 -1.508 1.00 12.42 H new ATOM 0 HD1 HIS A 360 17.866 8.292 -2.376 1.00 55.21 H new ATOM 0 HD2 HIS A 360 20.057 7.675 1.134 1.00 41.05 H new ATOM 0 HE1 HIS A 360 18.485 10.586 -1.471 1.00 52.35 H new ATOM 630 N LYS A 361 18.011 5.133 -3.922 1.00 11.11 N ATOM 631 CA LYS A 361 18.105 5.487 -5.337 1.00 13.44 C ATOM 632 C LYS A 361 16.784 5.183 -6.077 1.00 22.01 C ATOM 633 O LYS A 361 16.155 6.068 -6.627 1.00 22.00 O ATOM 634 CB LYS A 361 19.258 4.716 -6.004 1.00 5.13 C ATOM 635 CG LYS A 361 20.657 4.872 -5.357 1.00 21.41 C ATOM 636 CD LYS A 361 21.213 6.313 -5.359 1.00 3.14 C ATOM 637 CE LYS A 361 22.617 6.335 -4.720 1.00 73.42 C ATOM 638 NZ LYS A 361 23.220 7.699 -4.591 1.00 23.53 N ATOM 0 H LYS A 361 18.406 4.225 -3.675 1.00 11.11 H new ATOM 0 HA LYS A 361 18.299 6.558 -5.400 1.00 13.44 H new ATOM 0 HB2 LYS A 361 19.001 3.657 -6.011 1.00 5.13 H new ATOM 0 HB3 LYS A 361 19.325 5.035 -7.044 1.00 5.13 H new ATOM 0 HG2 LYS A 361 20.607 4.518 -4.327 1.00 21.41 H new ATOM 0 HG3 LYS A 361 21.359 4.225 -5.883 1.00 21.41 H new ATOM 0 HD2 LYS A 361 21.263 6.692 -6.380 1.00 3.14 H new ATOM 0 HD3 LYS A 361 20.542 6.972 -4.807 1.00 3.14 H new ATOM 0 HE2 LYS A 361 22.559 5.882 -3.730 1.00 73.42 H new ATOM 0 HE3 LYS A 361 23.283 5.712 -5.317 1.00 73.42 H new ATOM 0 HZ1 LYS A 361 23.712 7.776 -3.678 1.00 23.53 H new ATOM 0 HZ2 LYS A 361 23.898 7.853 -5.364 1.00 23.53 H new ATOM 0 HZ3 LYS A 361 22.469 8.417 -4.641 1.00 23.53 H new ATOM 652 N ASP A 362 16.382 3.933 -6.034 1.00 2.11 N ATOM 653 CA ASP A 362 15.143 3.437 -6.687 1.00 44.33 C ATOM 654 C ASP A 362 14.006 3.632 -5.773 1.00 21.02 C ATOM 655 O ASP A 362 12.907 3.946 -6.173 1.00 12.41 O ATOM 656 CB ASP A 362 15.242 1.925 -6.868 1.00 11.42 C ATOM 657 CG ASP A 362 14.058 1.282 -7.631 1.00 42.21 C ATOM 658 OD1 ASP A 362 12.976 0.998 -7.016 1.00 62.42 O ATOM 659 OD2 ASP A 362 14.194 0.967 -8.812 1.00 53.13 O ATOM 0 H ASP A 362 16.899 3.204 -5.543 1.00 2.11 H new ATOM 0 HA ASP A 362 15.016 3.964 -7.633 1.00 44.33 H new ATOM 0 HB2 ASP A 362 16.165 1.697 -7.400 1.00 11.42 H new ATOM 0 HB3 ASP A 362 15.318 1.460 -5.885 1.00 11.42 H new ATOM 664 N GLY A 363 14.335 3.463 -4.525 1.00 52.01 N ATOM 665 CA GLY A 363 13.418 3.292 -3.430 1.00 52.41 C ATOM 666 C GLY A 363 12.216 4.162 -3.326 1.00 61.41 C ATOM 667 O GLY A 363 11.229 3.690 -2.811 1.00 12.34 O ATOM 0 H GLY A 363 15.309 3.439 -4.224 1.00 52.01 H new ATOM 0 HA2 GLY A 363 13.070 2.259 -3.456 1.00 52.41 H new ATOM 0 HA3 GLY A 363 13.987 3.413 -2.508 1.00 52.41 H new ATOM 671 N LYS A 364 12.282 5.391 -3.829 1.00 65.12 N ATOM 672 CA LYS A 364 11.188 6.425 -3.721 1.00 32.43 C ATOM 673 C LYS A 364 10.506 6.410 -2.310 1.00 15.01 C ATOM 674 O LYS A 364 9.327 6.720 -2.154 1.00 45.54 O ATOM 675 CB LYS A 364 10.142 6.374 -4.943 1.00 42.24 C ATOM 676 CG LYS A 364 8.926 5.367 -4.925 1.00 11.10 C ATOM 677 CD LYS A 364 9.294 3.885 -4.936 1.00 54.35 C ATOM 678 CE LYS A 364 10.025 3.437 -6.189 1.00 11.40 C ATOM 679 NZ LYS A 364 10.745 2.138 -5.971 1.00 0.24 N ATOM 0 H LYS A 364 13.099 5.729 -4.337 1.00 65.12 H new ATOM 0 HA LYS A 364 11.670 7.398 -3.814 1.00 32.43 H new ATOM 0 HB2 LYS A 364 9.726 7.376 -5.051 1.00 42.24 H new ATOM 0 HB3 LYS A 364 10.715 6.168 -5.847 1.00 42.24 H new ATOM 0 HG2 LYS A 364 8.326 5.567 -4.038 1.00 11.10 H new ATOM 0 HG3 LYS A 364 8.295 5.572 -5.790 1.00 11.10 H new ATOM 0 HD2 LYS A 364 9.917 3.670 -4.068 1.00 54.35 H new ATOM 0 HD3 LYS A 364 8.384 3.295 -4.829 1.00 54.35 H new ATOM 0 HE2 LYS A 364 9.313 3.327 -7.007 1.00 11.40 H new ATOM 0 HE3 LYS A 364 10.739 4.204 -6.489 1.00 11.40 H new ATOM 0 HZ1 LYS A 364 11.633 2.138 -6.512 1.00 0.24 H new ATOM 0 HZ2 LYS A 364 10.957 2.024 -4.959 1.00 0.24 H new ATOM 0 HZ3 LYS A 364 10.145 1.351 -6.290 1.00 0.24 H new ATOM 693 N LEU A 365 11.326 6.129 -1.302 1.00 20.51 N ATOM 694 CA LEU A 365 10.901 5.897 0.068 1.00 74.11 C ATOM 695 C LEU A 365 11.285 7.098 0.927 1.00 1.53 C ATOM 696 O LEU A 365 12.244 7.811 0.599 1.00 54.21 O ATOM 697 CB LEU A 365 11.627 4.627 0.562 1.00 13.51 C ATOM 698 CG LEU A 365 11.295 4.104 1.965 1.00 62.43 C ATOM 699 CD1 LEU A 365 9.831 3.698 2.067 1.00 32.31 C ATOM 700 CD2 LEU A 365 12.198 2.929 2.304 1.00 13.44 C ATOM 0 H LEU A 365 12.336 6.055 -1.424 1.00 20.51 H new ATOM 0 HA LEU A 365 9.821 5.765 0.132 1.00 74.11 H new ATOM 0 HB2 LEU A 365 11.421 3.827 -0.149 1.00 13.51 H new ATOM 0 HB3 LEU A 365 12.699 4.820 0.523 1.00 13.51 H new ATOM 0 HG LEU A 365 11.468 4.906 2.682 1.00 62.43 H new ATOM 0 HD11 LEU A 365 9.624 3.331 3.072 1.00 32.31 H new ATOM 0 HD12 LEU A 365 9.199 4.561 1.859 1.00 32.31 H new ATOM 0 HD13 LEU A 365 9.620 2.911 1.343 1.00 32.31 H new ATOM 0 HD21 LEU A 365 11.958 2.562 3.302 1.00 13.44 H new ATOM 0 HD22 LEU A 365 12.045 2.131 1.577 1.00 13.44 H new ATOM 0 HD23 LEU A 365 13.239 3.251 2.277 1.00 13.44 H new ATOM 712 N GLN A 366 10.557 7.334 2.011 1.00 1.24 N ATOM 713 CA GLN A 366 10.823 8.464 2.861 1.00 54.12 C ATOM 714 C GLN A 366 11.078 8.052 4.298 1.00 43.41 C ATOM 715 O GLN A 366 10.614 7.003 4.761 1.00 3.31 O ATOM 716 CB GLN A 366 9.661 9.429 2.820 1.00 35.40 C ATOM 717 CG GLN A 366 9.454 10.059 1.469 1.00 5.51 C ATOM 718 CD GLN A 366 8.222 10.886 1.441 1.00 3.33 C ATOM 719 OE1 GLN A 366 8.241 12.074 1.723 1.00 73.23 O ATOM 720 NE2 GLN A 366 7.135 10.264 1.119 1.00 52.05 N ATOM 0 H GLN A 366 9.778 6.750 2.314 1.00 1.24 H new ATOM 0 HA GLN A 366 11.725 8.944 2.482 1.00 54.12 H new ATOM 0 HB2 GLN A 366 8.751 8.903 3.111 1.00 35.40 H new ATOM 0 HB3 GLN A 366 9.825 10.215 3.558 1.00 35.40 H new ATOM 0 HG2 GLN A 366 10.315 10.678 1.219 1.00 5.51 H new ATOM 0 HG3 GLN A 366 9.389 9.281 0.709 1.00 5.51 H new ATOM 0 HE21 GLN A 366 7.165 9.270 0.890 1.00 52.05 H new ATOM 0 HE22 GLN A 366 6.248 10.767 1.093 1.00 52.05 H new ATOM 729 N ILE A 367 11.868 8.846 4.987 1.00 74.21 N ATOM 730 CA ILE A 367 12.063 8.669 6.402 1.00 5.01 C ATOM 731 C ILE A 367 10.722 8.963 7.112 1.00 63.34 C ATOM 732 O ILE A 367 10.136 10.023 6.901 1.00 22.12 O ATOM 733 CB ILE A 367 13.194 9.601 6.945 1.00 11.20 C ATOM 734 CG1 ILE A 367 14.547 9.199 6.329 1.00 13.24 C ATOM 735 CG2 ILE A 367 13.253 9.576 8.470 1.00 30.01 C ATOM 736 CD1 ILE A 367 15.707 10.096 6.720 1.00 41.22 C ATOM 0 H ILE A 367 12.388 9.625 4.583 1.00 74.21 H new ATOM 0 HA ILE A 367 12.378 7.645 6.601 1.00 5.01 H new ATOM 0 HB ILE A 367 12.967 10.625 6.650 1.00 11.20 H new ATOM 0 HG12 ILE A 367 14.778 8.176 6.627 1.00 13.24 H new ATOM 0 HG13 ILE A 367 14.453 9.201 5.243 1.00 13.24 H new ATOM 0 HG21 ILE A 367 14.050 10.235 8.814 1.00 30.01 H new ATOM 0 HG22 ILE A 367 12.300 9.916 8.877 1.00 30.01 H new ATOM 0 HG23 ILE A 367 13.450 8.559 8.810 1.00 30.01 H new ATOM 0 HD11 ILE A 367 16.619 9.740 6.242 1.00 41.22 H new ATOM 0 HD12 ILE A 367 15.503 11.117 6.397 1.00 41.22 H new ATOM 0 HD13 ILE A 367 15.833 10.076 7.802 1.00 41.22 H new ATOM 748 N GLY A 368 10.247 8.034 7.912 1.00 51.11 N ATOM 749 CA GLY A 368 8.975 8.205 8.586 1.00 63.33 C ATOM 750 C GLY A 368 7.943 7.197 8.122 1.00 62.22 C ATOM 751 O GLY A 368 6.841 7.128 8.663 1.00 71.44 O ATOM 0 H GLY A 368 10.720 7.153 8.113 1.00 51.11 H new ATOM 0 HA2 GLY A 368 9.119 8.106 9.662 1.00 63.33 H new ATOM 0 HA3 GLY A 368 8.603 9.213 8.406 1.00 63.33 H new ATOM 755 N ASP A 369 8.299 6.426 7.116 1.00 70.10 N ATOM 756 CA ASP A 369 7.414 5.404 6.570 1.00 35.30 C ATOM 757 C ASP A 369 7.300 4.158 7.467 1.00 43.04 C ATOM 758 O ASP A 369 8.306 3.668 8.010 1.00 31.10 O ATOM 759 CB ASP A 369 7.827 5.030 5.145 1.00 23.53 C ATOM 760 CG ASP A 369 7.247 5.990 4.116 1.00 63.31 C ATOM 761 OD1 ASP A 369 6.007 6.191 4.126 1.00 3.51 O ATOM 762 OD2 ASP A 369 7.999 6.552 3.290 1.00 41.41 O ATOM 0 H ASP A 369 9.205 6.485 6.651 1.00 70.10 H new ATOM 0 HA ASP A 369 6.417 5.842 6.538 1.00 35.30 H new ATOM 0 HB2 ASP A 369 8.914 5.031 5.070 1.00 23.53 H new ATOM 0 HB3 ASP A 369 7.493 4.016 4.924 1.00 23.53 H new ATOM 767 N LYS A 370 6.065 3.666 7.614 1.00 75.32 N ATOM 768 CA LYS A 370 5.701 2.496 8.445 1.00 31.34 C ATOM 769 C LYS A 370 5.642 1.250 7.570 1.00 21.24 C ATOM 770 O LYS A 370 4.810 1.140 6.670 1.00 35.41 O ATOM 771 CB LYS A 370 4.310 2.771 9.076 1.00 42.34 C ATOM 772 CG LYS A 370 3.535 1.593 9.669 1.00 63.24 C ATOM 773 CD LYS A 370 2.074 2.026 9.881 1.00 3.54 C ATOM 774 CE LYS A 370 1.135 0.874 10.243 1.00 55.02 C ATOM 775 NZ LYS A 370 1.295 0.390 11.619 1.00 74.04 N ATOM 0 H LYS A 370 5.259 4.080 7.145 1.00 75.32 H new ATOM 0 HA LYS A 370 6.442 2.335 9.228 1.00 31.34 H new ATOM 0 HB2 LYS A 370 4.444 3.511 9.865 1.00 42.34 H new ATOM 0 HB3 LYS A 370 3.683 3.230 8.311 1.00 42.34 H new ATOM 0 HG2 LYS A 370 3.582 0.734 9.000 1.00 63.24 H new ATOM 0 HG3 LYS A 370 3.980 1.285 10.615 1.00 63.24 H new ATOM 0 HD2 LYS A 370 2.038 2.774 10.673 1.00 3.54 H new ATOM 0 HD3 LYS A 370 1.712 2.506 8.972 1.00 3.54 H new ATOM 0 HE2 LYS A 370 0.104 1.199 10.099 1.00 55.02 H new ATOM 0 HE3 LYS A 370 1.307 0.047 9.554 1.00 55.02 H new ATOM 0 HZ1 LYS A 370 0.702 -0.453 11.762 1.00 74.04 H new ATOM 0 HZ2 LYS A 370 2.292 0.145 11.787 1.00 74.04 H new ATOM 0 HZ3 LYS A 370 1.005 1.134 12.285 1.00 74.04 H new ATOM 789 N LEU A 371 6.501 0.324 7.823 1.00 43.42 N ATOM 790 CA LEU A 371 6.533 -0.869 7.039 1.00 32.42 C ATOM 791 C LEU A 371 5.564 -1.864 7.576 1.00 62.55 C ATOM 792 O LEU A 371 5.696 -2.341 8.700 1.00 11.20 O ATOM 793 CB LEU A 371 7.927 -1.452 6.944 1.00 31.00 C ATOM 794 CG LEU A 371 8.981 -0.504 6.407 1.00 34.01 C ATOM 795 CD1 LEU A 371 10.321 -1.186 6.289 1.00 10.51 C ATOM 796 CD2 LEU A 371 8.554 0.101 5.086 1.00 4.43 C ATOM 0 H LEU A 371 7.195 0.367 8.569 1.00 43.42 H new ATOM 0 HA LEU A 371 6.236 -0.608 6.023 1.00 32.42 H new ATOM 0 HB2 LEU A 371 8.233 -1.788 7.935 1.00 31.00 H new ATOM 0 HB3 LEU A 371 7.893 -2.334 6.305 1.00 31.00 H new ATOM 0 HG LEU A 371 9.088 0.311 7.123 1.00 34.01 H new ATOM 0 HD11 LEU A 371 11.056 -0.480 5.901 1.00 10.51 H new ATOM 0 HD12 LEU A 371 10.638 -1.537 7.271 1.00 10.51 H new ATOM 0 HD13 LEU A 371 10.239 -2.034 5.609 1.00 10.51 H new ATOM 0 HD21 LEU A 371 9.331 0.776 4.727 1.00 4.43 H new ATOM 0 HD22 LEU A 371 8.397 -0.693 4.356 1.00 4.43 H new ATOM 0 HD23 LEU A 371 7.626 0.656 5.223 1.00 4.43 H new ATOM 808 N LEU A 372 4.604 -2.148 6.758 1.00 21.20 N ATOM 809 CA LEU A 372 3.524 -3.038 7.065 1.00 43.42 C ATOM 810 C LEU A 372 4.016 -4.458 6.795 1.00 21.43 C ATOM 811 O LEU A 372 3.704 -5.410 7.526 1.00 63.31 O ATOM 812 CB LEU A 372 2.342 -2.659 6.129 1.00 13.04 C ATOM 813 CG LEU A 372 0.922 -3.138 6.487 1.00 74.21 C ATOM 814 CD1 LEU A 372 -0.090 -2.476 5.569 1.00 3.31 C ATOM 815 CD2 LEU A 372 0.770 -4.653 6.404 1.00 60.21 C ATOM 0 H LEU A 372 4.545 -1.753 5.820 1.00 21.20 H new ATOM 0 HA LEU A 372 3.194 -2.970 8.102 1.00 43.42 H new ATOM 0 HB2 LEU A 372 2.314 -1.572 6.058 1.00 13.04 H new ATOM 0 HB3 LEU A 372 2.576 -3.038 5.134 1.00 13.04 H new ATOM 0 HG LEU A 372 0.741 -2.851 7.523 1.00 74.21 H new ATOM 0 HD11 LEU A 372 -1.093 -2.818 5.826 1.00 3.31 H new ATOM 0 HD12 LEU A 372 -0.034 -1.394 5.686 1.00 3.31 H new ATOM 0 HD13 LEU A 372 0.129 -2.740 4.535 1.00 3.31 H new ATOM 0 HD21 LEU A 372 -0.251 -4.931 6.667 1.00 60.21 H new ATOM 0 HD22 LEU A 372 0.987 -4.985 5.389 1.00 60.21 H new ATOM 0 HD23 LEU A 372 1.465 -5.127 7.097 1.00 60.21 H new ATOM 827 N ALA A 373 4.798 -4.589 5.744 1.00 21.33 N ATOM 828 CA ALA A 373 5.351 -5.854 5.345 1.00 74.14 C ATOM 829 C ALA A 373 6.522 -5.622 4.419 1.00 13.11 C ATOM 830 O ALA A 373 6.613 -4.573 3.780 1.00 44.55 O ATOM 831 CB ALA A 373 4.285 -6.699 4.639 1.00 75.10 C ATOM 0 H ALA A 373 5.066 -3.811 5.142 1.00 21.33 H new ATOM 0 HA ALA A 373 5.691 -6.391 6.231 1.00 74.14 H new ATOM 0 HB1 ALA A 373 4.716 -7.655 4.342 1.00 75.10 H new ATOM 0 HB2 ALA A 373 3.450 -6.873 5.318 1.00 75.10 H new ATOM 0 HB3 ALA A 373 3.929 -6.171 3.754 1.00 75.10 H new ATOM 837 N VAL A 374 7.410 -6.560 4.347 1.00 44.35 N ATOM 838 CA VAL A 374 8.492 -6.476 3.420 1.00 55.40 C ATOM 839 C VAL A 374 8.653 -7.813 2.727 1.00 11.54 C ATOM 840 O VAL A 374 8.814 -8.841 3.369 1.00 13.13 O ATOM 841 CB VAL A 374 9.850 -5.996 4.051 1.00 62.22 C ATOM 842 CG1 VAL A 374 10.456 -7.040 4.977 1.00 12.54 C ATOM 843 CG2 VAL A 374 10.837 -5.597 2.959 1.00 73.24 C ATOM 0 H VAL A 374 7.407 -7.401 4.925 1.00 44.35 H new ATOM 0 HA VAL A 374 8.234 -5.701 2.698 1.00 55.40 H new ATOM 0 HB VAL A 374 9.632 -5.120 4.662 1.00 62.22 H new ATOM 0 HG11 VAL A 374 11.392 -6.662 5.388 1.00 12.54 H new ATOM 0 HG12 VAL A 374 9.762 -7.252 5.790 1.00 12.54 H new ATOM 0 HG13 VAL A 374 10.649 -7.955 4.417 1.00 12.54 H new ATOM 0 HG21 VAL A 374 11.771 -5.268 3.415 1.00 73.24 H new ATOM 0 HG22 VAL A 374 11.031 -6.453 2.313 1.00 73.24 H new ATOM 0 HG23 VAL A 374 10.416 -4.784 2.367 1.00 73.24 H new ATOM 853 N ASN A 375 8.463 -7.775 1.436 1.00 31.12 N ATOM 854 CA ASN A 375 8.660 -8.885 0.511 1.00 22.21 C ATOM 855 C ASN A 375 8.064 -10.182 1.046 1.00 45.24 C ATOM 856 O ASN A 375 8.773 -11.050 1.544 1.00 63.23 O ATOM 857 CB ASN A 375 10.149 -9.008 0.167 1.00 3.12 C ATOM 858 CG ASN A 375 10.435 -9.873 -1.037 1.00 21.53 C ATOM 859 OD1 ASN A 375 10.325 -9.407 -2.164 1.00 71.33 O ATOM 860 ND2 ASN A 375 10.883 -11.076 -0.821 1.00 31.43 N ATOM 0 H ASN A 375 8.149 -6.927 0.964 1.00 31.12 H new ATOM 0 HA ASN A 375 8.120 -8.679 -0.413 1.00 22.21 H new ATOM 0 HB2 ASN A 375 10.553 -8.011 -0.011 1.00 3.12 H new ATOM 0 HB3 ASN A 375 10.677 -9.417 1.028 1.00 3.12 H new ATOM 0 HD21 ASN A 375 11.157 -11.667 -1.606 1.00 31.43 H new ATOM 0 HD22 ASN A 375 10.960 -11.428 0.133 1.00 31.43 H new ATOM 867 N ASN A 376 6.735 -10.249 0.983 1.00 21.32 N ATOM 868 CA ASN A 376 5.905 -11.361 1.508 1.00 32.43 C ATOM 869 C ASN A 376 5.910 -11.482 3.073 1.00 4.55 C ATOM 870 O ASN A 376 4.942 -11.974 3.646 1.00 21.44 O ATOM 871 CB ASN A 376 6.302 -12.706 0.839 1.00 32.45 C ATOM 872 CG ASN A 376 5.414 -13.901 1.207 1.00 23.13 C ATOM 873 OD1 ASN A 376 5.878 -15.028 1.263 1.00 33.41 O ATOM 874 ND2 ASN A 376 4.137 -13.675 1.413 1.00 4.33 N ATOM 0 H ASN A 376 6.176 -9.512 0.553 1.00 21.32 H new ATOM 0 HA ASN A 376 4.877 -11.118 1.241 1.00 32.43 H new ATOM 0 HB2 ASN A 376 6.280 -12.576 -0.243 1.00 32.45 H new ATOM 0 HB3 ASN A 376 7.331 -12.940 1.112 1.00 32.45 H new ATOM 0 HD21 ASN A 376 3.510 -14.451 1.625 1.00 4.33 H new ATOM 0 HD22 ASN A 376 3.773 -12.724 1.361 1.00 4.33 H new ATOM 881 N VAL A 377 6.928 -10.981 3.754 1.00 10.53 N ATOM 882 CA VAL A 377 6.978 -11.105 5.218 1.00 61.15 C ATOM 883 C VAL A 377 6.209 -9.955 5.881 1.00 42.25 C ATOM 884 O VAL A 377 6.446 -8.798 5.573 1.00 71.44 O ATOM 885 CB VAL A 377 8.433 -11.087 5.757 1.00 23.11 C ATOM 886 CG1 VAL A 377 8.465 -11.432 7.244 1.00 71.44 C ATOM 887 CG2 VAL A 377 9.340 -12.017 4.959 1.00 64.33 C ATOM 0 H VAL A 377 7.720 -10.493 3.336 1.00 10.53 H new ATOM 0 HA VAL A 377 6.522 -12.064 5.463 1.00 61.15 H new ATOM 0 HB VAL A 377 8.817 -10.075 5.634 1.00 23.11 H new ATOM 0 HG11 VAL A 377 9.495 -11.413 7.600 1.00 71.44 H new ATOM 0 HG12 VAL A 377 7.876 -10.702 7.800 1.00 71.44 H new ATOM 0 HG13 VAL A 377 8.047 -12.427 7.396 1.00 71.44 H new ATOM 0 HG21 VAL A 377 10.350 -11.977 5.366 1.00 64.33 H new ATOM 0 HG22 VAL A 377 8.962 -13.037 5.024 1.00 64.33 H new ATOM 0 HG23 VAL A 377 9.357 -11.702 3.916 1.00 64.33 H new ATOM 897 N CYS A 378 5.292 -10.285 6.772 1.00 14.43 N ATOM 898 CA CYS A 378 4.513 -9.300 7.508 1.00 74.42 C ATOM 899 C CYS A 378 5.362 -8.645 8.613 1.00 74.42 C ATOM 900 O CYS A 378 6.062 -9.338 9.351 1.00 11.21 O ATOM 901 CB CYS A 378 3.290 -9.990 8.099 1.00 23.53 C ATOM 902 SG CYS A 378 3.695 -11.484 9.034 1.00 75.54 S ATOM 0 H CYS A 378 5.064 -11.251 7.009 1.00 14.43 H new ATOM 0 HA CYS A 378 4.193 -8.507 6.832 1.00 74.42 H new ATOM 0 HB2 CYS A 378 2.767 -9.291 8.752 1.00 23.53 H new ATOM 0 HB3 CYS A 378 2.603 -10.249 7.294 1.00 23.53 H new ATOM 0 HG CYS A 378 4.850 -11.335 9.611 1.00 75.54 H new ATOM 908 N LEU A 379 5.309 -7.322 8.704 1.00 34.52 N ATOM 909 CA LEU A 379 6.109 -6.561 9.680 1.00 52.51 C ATOM 910 C LEU A 379 5.276 -5.852 10.743 1.00 71.24 C ATOM 911 O LEU A 379 5.840 -5.229 11.652 1.00 31.45 O ATOM 912 CB LEU A 379 7.032 -5.563 8.974 1.00 62.03 C ATOM 913 CG LEU A 379 8.445 -6.051 8.623 1.00 33.12 C ATOM 914 CD1 LEU A 379 8.424 -7.347 7.850 1.00 12.22 C ATOM 915 CD2 LEU A 379 9.176 -4.985 7.838 1.00 75.20 C ATOM 0 H LEU A 379 4.717 -6.741 8.111 1.00 34.52 H new ATOM 0 HA LEU A 379 6.710 -7.302 10.207 1.00 52.51 H new ATOM 0 HB2 LEU A 379 6.545 -5.244 8.053 1.00 62.03 H new ATOM 0 HB3 LEU A 379 7.125 -4.681 9.607 1.00 62.03 H new ATOM 0 HG LEU A 379 8.970 -6.242 9.559 1.00 33.12 H new ATOM 0 HD11 LEU A 379 9.446 -7.653 7.624 1.00 12.22 H new ATOM 0 HD12 LEU A 379 7.938 -8.119 8.447 1.00 12.22 H new ATOM 0 HD13 LEU A 379 7.873 -7.207 6.920 1.00 12.22 H new ATOM 0 HD21 LEU A 379 10.178 -5.337 7.592 1.00 75.20 H new ATOM 0 HD22 LEU A 379 8.630 -4.772 6.919 1.00 75.20 H new ATOM 0 HD23 LEU A 379 9.247 -4.077 8.437 1.00 75.20 H new ATOM 927 N GLU A 380 3.961 -5.911 10.625 1.00 12.40 N ATOM 928 CA GLU A 380 3.093 -5.346 11.647 1.00 32.41 C ATOM 929 C GLU A 380 3.227 -6.141 12.938 1.00 62.12 C ATOM 930 O GLU A 380 2.752 -7.271 13.025 1.00 30.34 O ATOM 931 CB GLU A 380 1.621 -5.304 11.198 1.00 70.22 C ATOM 932 CG GLU A 380 1.313 -4.287 10.105 1.00 44.31 C ATOM 933 CD GLU A 380 1.571 -2.856 10.545 1.00 52.54 C ATOM 934 OE1 GLU A 380 0.681 -2.226 11.165 1.00 43.52 O ATOM 935 OE2 GLU A 380 2.667 -2.339 10.291 1.00 53.05 O ATOM 0 H GLU A 380 3.473 -6.340 9.839 1.00 12.40 H new ATOM 0 HA GLU A 380 3.409 -4.317 11.817 1.00 32.41 H new ATOM 0 HB2 GLU A 380 1.336 -6.295 10.843 1.00 70.22 H new ATOM 0 HB3 GLU A 380 0.998 -5.084 12.065 1.00 70.22 H new ATOM 0 HG2 GLU A 380 1.921 -4.508 9.227 1.00 44.31 H new ATOM 0 HG3 GLU A 380 0.270 -4.388 9.804 1.00 44.31 H new ATOM 942 N GLU A 381 3.932 -5.544 13.893 1.00 1.30 N ATOM 943 CA GLU A 381 4.178 -6.096 15.209 1.00 0.52 C ATOM 944 C GLU A 381 5.032 -7.378 15.196 1.00 45.33 C ATOM 945 O GLU A 381 4.534 -8.500 15.182 1.00 33.51 O ATOM 946 CB GLU A 381 2.892 -6.214 16.039 1.00 13.12 C ATOM 947 CG GLU A 381 3.108 -6.707 17.453 1.00 72.01 C ATOM 948 CD GLU A 381 1.969 -6.337 18.354 1.00 73.52 C ATOM 949 OE1 GLU A 381 2.022 -5.212 18.914 1.00 42.51 O ATOM 950 OE2 GLU A 381 1.041 -7.135 18.518 1.00 71.55 O ATOM 0 H GLU A 381 4.361 -4.628 13.761 1.00 1.30 H new ATOM 0 HA GLU A 381 4.802 -5.369 15.728 1.00 0.52 H new ATOM 0 HB2 GLU A 381 2.407 -5.239 16.077 1.00 13.12 H new ATOM 0 HB3 GLU A 381 2.206 -6.892 15.531 1.00 13.12 H new ATOM 0 HG2 GLU A 381 3.228 -7.790 17.445 1.00 72.01 H new ATOM 0 HG3 GLU A 381 4.034 -6.287 17.847 1.00 72.01 H new ATOM 957 N VAL A 382 6.331 -7.162 15.133 1.00 34.21 N ATOM 958 CA VAL A 382 7.357 -8.203 15.204 1.00 34.23 C ATOM 959 C VAL A 382 8.518 -7.601 15.983 1.00 2.23 C ATOM 960 O VAL A 382 8.559 -6.372 16.147 1.00 11.34 O ATOM 961 CB VAL A 382 7.864 -8.670 13.790 1.00 23.21 C ATOM 962 CG1 VAL A 382 6.776 -9.403 13.013 1.00 1.14 C ATOM 963 CG2 VAL A 382 8.382 -7.492 12.976 1.00 22.13 C ATOM 0 H VAL A 382 6.723 -6.226 15.027 1.00 34.21 H new ATOM 0 HA VAL A 382 6.937 -9.089 15.680 1.00 34.23 H new ATOM 0 HB VAL A 382 8.685 -9.366 13.961 1.00 23.21 H new ATOM 0 HG11 VAL A 382 7.166 -9.709 12.042 1.00 1.14 H new ATOM 0 HG12 VAL A 382 6.461 -10.284 13.572 1.00 1.14 H new ATOM 0 HG13 VAL A 382 5.923 -8.740 12.869 1.00 1.14 H new ATOM 0 HG21 VAL A 382 8.726 -7.845 12.004 1.00 22.13 H new ATOM 0 HG22 VAL A 382 7.581 -6.766 12.836 1.00 22.13 H new ATOM 0 HG23 VAL A 382 9.211 -7.021 13.505 1.00 22.13 H new ATOM 973 N THR A 383 9.431 -8.389 16.470 1.00 71.44 N ATOM 974 CA THR A 383 10.534 -7.838 17.229 1.00 35.24 C ATOM 975 C THR A 383 11.579 -7.275 16.251 1.00 35.33 C ATOM 976 O THR A 383 11.743 -7.800 15.146 1.00 1.31 O ATOM 977 CB THR A 383 11.183 -8.901 18.129 1.00 61.44 C ATOM 978 OG1 THR A 383 10.159 -9.697 18.732 1.00 73.35 O ATOM 979 CG2 THR A 383 12.002 -8.246 19.239 1.00 72.15 C ATOM 0 H THR A 383 9.442 -9.403 16.362 1.00 71.44 H new ATOM 0 HA THR A 383 10.153 -7.046 17.873 1.00 35.24 H new ATOM 0 HB THR A 383 11.840 -9.517 17.515 1.00 61.44 H new ATOM 0 HG1 THR A 383 10.258 -10.629 18.446 1.00 73.35 H new ATOM 0 HG21 THR A 383 12.452 -9.018 19.863 1.00 72.15 H new ATOM 0 HG22 THR A 383 12.788 -7.633 18.798 1.00 72.15 H new ATOM 0 HG23 THR A 383 11.352 -7.619 19.849 1.00 72.15 H new ATOM 987 N HIS A 384 12.288 -6.230 16.674 1.00 74.44 N ATOM 988 CA HIS A 384 13.252 -5.499 15.826 1.00 71.40 C ATOM 989 C HIS A 384 14.197 -6.429 15.039 1.00 1.02 C ATOM 990 O HIS A 384 14.332 -6.285 13.834 1.00 44.31 O ATOM 991 CB HIS A 384 14.063 -4.492 16.664 1.00 3.23 C ATOM 992 CG HIS A 384 14.985 -3.639 15.856 1.00 12.44 C ATOM 993 ND1 HIS A 384 14.704 -2.623 15.015 1.00 43.31 N flip ATOM 994 CD2 HIS A 384 16.352 -3.748 15.877 1.00 31.33 C flip ATOM 995 CE1 HIS A 384 15.880 -2.098 14.525 1.00 1.10 C flip ATOM 996 NE2 HIS A 384 16.843 -2.806 15.074 1.00 32.41 N flip ATOM 0 H HIS A 384 12.215 -5.857 17.621 1.00 74.44 H new ATOM 0 HA HIS A 384 12.660 -4.959 15.087 1.00 71.40 H new ATOM 0 HB2 HIS A 384 13.373 -3.849 17.210 1.00 3.23 H new ATOM 0 HB3 HIS A 384 14.645 -5.037 17.407 1.00 3.23 H new ATOM 0 HD2 HIS A 384 16.926 -4.467 16.442 1.00 31.33 H new ATOM 0 HE1 HIS A 384 15.989 -1.276 13.833 1.00 1.10 H new ATOM 0 HE2 HIS A 384 17.837 -2.653 14.906 1.00 32.41 H new ATOM 1004 N GLU A 385 14.788 -7.395 15.722 1.00 63.15 N ATOM 1005 CA GLU A 385 15.734 -8.333 15.103 1.00 10.51 C ATOM 1006 C GLU A 385 15.045 -9.130 13.983 1.00 31.21 C ATOM 1007 O GLU A 385 15.599 -9.301 12.886 1.00 33.35 O ATOM 1008 CB GLU A 385 16.292 -9.275 16.188 1.00 24.21 C ATOM 1009 CG GLU A 385 17.377 -10.253 15.733 1.00 10.20 C ATOM 1010 CD GLU A 385 18.642 -9.579 15.248 1.00 20.34 C ATOM 1011 OE1 GLU A 385 19.255 -8.779 16.020 1.00 14.04 O ATOM 1012 OE2 GLU A 385 19.033 -9.816 14.093 1.00 35.15 O ATOM 0 H GLU A 385 14.632 -7.558 16.717 1.00 63.15 H new ATOM 0 HA GLU A 385 16.559 -7.779 14.655 1.00 10.51 H new ATOM 0 HB2 GLU A 385 16.695 -8.666 16.997 1.00 24.21 H new ATOM 0 HB3 GLU A 385 15.464 -9.849 16.603 1.00 24.21 H new ATOM 0 HG2 GLU A 385 17.625 -10.917 16.561 1.00 10.20 H new ATOM 0 HG3 GLU A 385 16.979 -10.876 14.932 1.00 10.20 H new ATOM 1019 N GLU A 386 13.799 -9.507 14.228 1.00 52.23 N ATOM 1020 CA GLU A 386 13.026 -10.318 13.305 1.00 64.04 C ATOM 1021 C GLU A 386 12.712 -9.484 12.086 1.00 2.33 C ATOM 1022 O GLU A 386 12.816 -9.948 10.944 1.00 25.43 O ATOM 1023 CB GLU A 386 11.734 -10.731 13.983 1.00 41.33 C ATOM 1024 CG GLU A 386 11.932 -11.538 15.253 1.00 72.43 C ATOM 1025 CD GLU A 386 10.713 -11.506 16.144 1.00 41.42 C ATOM 1026 OE1 GLU A 386 9.675 -10.978 15.719 1.00 44.42 O ATOM 1027 OE2 GLU A 386 10.826 -11.900 17.312 1.00 14.24 O ATOM 0 H GLU A 386 13.295 -9.256 15.078 1.00 52.23 H new ATOM 0 HA GLU A 386 13.585 -11.207 13.013 1.00 64.04 H new ATOM 0 HB2 GLU A 386 11.158 -9.836 14.220 1.00 41.33 H new ATOM 0 HB3 GLU A 386 11.139 -11.317 13.282 1.00 41.33 H new ATOM 0 HG2 GLU A 386 12.163 -12.571 14.993 1.00 72.43 H new ATOM 0 HG3 GLU A 386 12.790 -11.147 15.800 1.00 72.43 H new ATOM 1034 N ALA A 387 12.402 -8.226 12.351 1.00 14.33 N ATOM 1035 CA ALA A 387 12.060 -7.272 11.339 1.00 12.11 C ATOM 1036 C ALA A 387 13.222 -7.051 10.421 1.00 62.41 C ATOM 1037 O ALA A 387 13.122 -7.320 9.239 1.00 50.22 O ATOM 1038 CB ALA A 387 11.650 -5.968 11.967 1.00 54.14 C ATOM 0 H ALA A 387 12.384 -7.844 13.296 1.00 14.33 H new ATOM 0 HA ALA A 387 11.223 -7.665 10.763 1.00 12.11 H new ATOM 0 HB1 ALA A 387 11.393 -5.253 11.186 1.00 54.14 H new ATOM 0 HB2 ALA A 387 10.785 -6.130 12.610 1.00 54.14 H new ATOM 0 HB3 ALA A 387 12.475 -5.575 12.561 1.00 54.14 H new ATOM 1044 N VAL A 388 14.353 -6.622 10.985 1.00 33.32 N ATOM 1045 CA VAL A 388 15.538 -6.329 10.199 1.00 34.42 C ATOM 1046 C VAL A 388 15.942 -7.544 9.360 1.00 2.21 C ATOM 1047 O VAL A 388 16.291 -7.410 8.193 1.00 1.51 O ATOM 1048 CB VAL A 388 16.729 -5.896 11.071 1.00 34.25 C ATOM 1049 CG1 VAL A 388 17.905 -5.488 10.212 1.00 40.32 C ATOM 1050 CG2 VAL A 388 16.347 -4.773 12.014 1.00 74.14 C ATOM 0 H VAL A 388 14.466 -6.472 11.987 1.00 33.32 H new ATOM 0 HA VAL A 388 15.279 -5.496 9.545 1.00 34.42 H new ATOM 0 HB VAL A 388 17.022 -6.755 11.675 1.00 34.25 H new ATOM 0 HG11 VAL A 388 18.735 -5.186 10.851 1.00 40.32 H new ATOM 0 HG12 VAL A 388 18.212 -6.330 9.592 1.00 40.32 H new ATOM 0 HG13 VAL A 388 17.617 -4.653 9.573 1.00 40.32 H new ATOM 0 HG21 VAL A 388 17.212 -4.492 12.615 1.00 74.14 H new ATOM 0 HG22 VAL A 388 16.011 -3.912 11.437 1.00 74.14 H new ATOM 0 HG23 VAL A 388 15.543 -5.106 12.670 1.00 74.14 H new ATOM 1060 N THR A 389 15.842 -8.729 9.951 1.00 52.14 N ATOM 1061 CA THR A 389 16.148 -9.977 9.262 1.00 22.22 C ATOM 1062 C THR A 389 15.242 -10.189 8.029 1.00 0.44 C ATOM 1063 O THR A 389 15.715 -10.652 6.980 1.00 32.12 O ATOM 1064 CB THR A 389 16.024 -11.167 10.240 1.00 4.54 C ATOM 1065 OG1 THR A 389 16.907 -10.945 11.326 1.00 24.32 O ATOM 1066 CG2 THR A 389 16.389 -12.488 9.585 1.00 41.23 C ATOM 0 H THR A 389 15.547 -8.852 10.920 1.00 52.14 H new ATOM 0 HA THR A 389 17.175 -9.917 8.902 1.00 22.22 H new ATOM 0 HB THR A 389 14.986 -11.230 10.567 1.00 4.54 H new ATOM 0 HG1 THR A 389 16.484 -10.343 11.974 1.00 24.32 H new ATOM 0 HG21 THR A 389 16.287 -13.295 10.311 1.00 41.23 H new ATOM 0 HG22 THR A 389 15.723 -12.672 8.742 1.00 41.23 H new ATOM 0 HG23 THR A 389 17.419 -12.446 9.232 1.00 41.23 H new ATOM 1074 N ALA A 390 13.981 -9.814 8.145 1.00 71.31 N ATOM 1075 CA ALA A 390 13.026 -9.957 7.059 1.00 31.24 C ATOM 1076 C ALA A 390 13.418 -9.083 5.876 1.00 42.23 C ATOM 1077 O ALA A 390 13.277 -9.484 4.732 1.00 63.21 O ATOM 1078 CB ALA A 390 11.628 -9.618 7.537 1.00 2.12 C ATOM 0 H ALA A 390 13.590 -9.403 8.992 1.00 71.31 H new ATOM 0 HA ALA A 390 13.035 -10.996 6.728 1.00 31.24 H new ATOM 0 HB1 ALA A 390 10.924 -9.730 6.712 1.00 2.12 H new ATOM 0 HB2 ALA A 390 11.347 -10.291 8.347 1.00 2.12 H new ATOM 0 HB3 ALA A 390 11.606 -8.589 7.896 1.00 2.12 H new ATOM 1084 N LEU A 391 13.938 -7.897 6.161 1.00 13.53 N ATOM 1085 CA LEU A 391 14.380 -7.020 5.095 1.00 11.24 C ATOM 1086 C LEU A 391 15.731 -7.486 4.567 1.00 30.01 C ATOM 1087 O LEU A 391 15.998 -7.406 3.378 1.00 32.30 O ATOM 1088 CB LEU A 391 14.477 -5.529 5.515 1.00 11.13 C ATOM 1089 CG LEU A 391 13.203 -4.791 5.947 1.00 52.00 C ATOM 1090 CD1 LEU A 391 12.814 -5.086 7.354 1.00 15.15 C ATOM 1091 CD2 LEU A 391 13.314 -3.307 5.724 1.00 0.42 C ATOM 0 H LEU A 391 14.061 -7.528 7.104 1.00 13.53 H new ATOM 0 HA LEU A 391 13.619 -7.079 4.316 1.00 11.24 H new ATOM 0 HB2 LEU A 391 15.189 -5.465 6.338 1.00 11.13 H new ATOM 0 HB3 LEU A 391 14.907 -4.979 4.678 1.00 11.13 H new ATOM 0 HG LEU A 391 12.406 -5.172 5.308 1.00 52.00 H new ATOM 0 HD11 LEU A 391 11.906 -4.536 7.603 1.00 15.15 H new ATOM 0 HD12 LEU A 391 12.633 -6.155 7.465 1.00 15.15 H new ATOM 0 HD13 LEU A 391 13.618 -4.783 8.025 1.00 15.15 H new ATOM 0 HD21 LEU A 391 12.392 -2.821 6.043 1.00 0.42 H new ATOM 0 HD22 LEU A 391 14.150 -2.914 6.303 1.00 0.42 H new ATOM 0 HD23 LEU A 391 13.481 -3.110 4.665 1.00 0.42 H new ATOM 1103 N LYS A 392 16.591 -7.955 5.474 1.00 72.31 N ATOM 1104 CA LYS A 392 17.912 -8.444 5.103 1.00 31.05 C ATOM 1105 C LYS A 392 17.878 -9.661 4.190 1.00 63.04 C ATOM 1106 O LYS A 392 18.754 -9.835 3.352 1.00 53.51 O ATOM 1107 CB LYS A 392 18.805 -8.699 6.315 1.00 34.41 C ATOM 1108 CG LYS A 392 19.177 -7.421 7.028 1.00 64.50 C ATOM 1109 CD LYS A 392 20.325 -7.607 7.979 1.00 34.33 C ATOM 1110 CE LYS A 392 20.823 -6.264 8.490 1.00 13.31 C ATOM 1111 NZ LYS A 392 21.538 -5.454 7.457 1.00 13.50 N ATOM 0 H LYS A 392 16.391 -8.005 6.473 1.00 72.31 H new ATOM 0 HA LYS A 392 18.355 -7.632 4.526 1.00 31.05 H new ATOM 0 HB2 LYS A 392 18.291 -9.364 7.009 1.00 34.41 H new ATOM 0 HB3 LYS A 392 19.712 -9.212 5.995 1.00 34.41 H new ATOM 0 HG2 LYS A 392 19.438 -6.661 6.292 1.00 64.50 H new ATOM 0 HG3 LYS A 392 18.311 -7.049 7.576 1.00 64.50 H new ATOM 0 HD2 LYS A 392 20.011 -8.227 8.818 1.00 34.33 H new ATOM 0 HD3 LYS A 392 21.137 -8.135 7.478 1.00 34.33 H new ATOM 0 HE2 LYS A 392 19.975 -5.691 8.865 1.00 13.31 H new ATOM 0 HE3 LYS A 392 21.492 -6.432 9.334 1.00 13.31 H new ATOM 0 HZ1 LYS A 392 21.699 -4.493 7.820 1.00 13.50 H new ATOM 0 HZ2 LYS A 392 22.452 -5.899 7.238 1.00 13.50 H new ATOM 0 HZ3 LYS A 392 20.961 -5.406 6.593 1.00 13.50 H new ATOM 1125 N ASN A 393 16.869 -10.490 4.344 1.00 1.34 N ATOM 1126 CA ASN A 393 16.723 -11.674 3.511 1.00 24.32 C ATOM 1127 C ASN A 393 16.047 -11.353 2.199 1.00 32.43 C ATOM 1128 O ASN A 393 14.923 -11.775 1.924 1.00 61.23 O ATOM 1129 CB ASN A 393 15.997 -12.810 4.230 1.00 74.14 C ATOM 1130 CG ASN A 393 16.866 -13.557 5.218 1.00 21.33 C ATOM 1131 OD1 ASN A 393 17.519 -14.531 4.883 1.00 2.31 O ATOM 1132 ND2 ASN A 393 16.884 -13.115 6.435 1.00 21.33 N ATOM 0 H ASN A 393 16.133 -10.369 5.040 1.00 1.34 H new ATOM 0 HA ASN A 393 17.734 -12.022 3.297 1.00 24.32 H new ATOM 0 HB2 ASN A 393 15.133 -12.403 4.755 1.00 74.14 H new ATOM 0 HB3 ASN A 393 15.617 -13.513 3.489 1.00 74.14 H new ATOM 0 HD21 ASN A 393 17.454 -13.584 7.139 1.00 21.33 H new ATOM 0 HD22 ASN A 393 16.329 -12.298 6.689 1.00 21.33 H new ATOM 1139 N THR A 394 16.712 -10.562 1.428 1.00 64.10 N ATOM 1140 CA THR A 394 16.257 -10.175 0.131 1.00 34.14 C ATOM 1141 C THR A 394 17.383 -10.334 -0.860 1.00 72.10 C ATOM 1142 O THR A 394 18.561 -10.301 -0.484 1.00 20.11 O ATOM 1143 CB THR A 394 15.783 -8.715 0.135 1.00 40.51 C ATOM 1144 OG1 THR A 394 16.737 -7.912 0.826 1.00 51.25 O ATOM 1145 CG2 THR A 394 14.402 -8.572 0.765 1.00 12.45 C ATOM 0 H THR A 394 17.611 -10.155 1.686 1.00 64.10 H new ATOM 0 HA THR A 394 15.419 -10.812 -0.150 1.00 34.14 H new ATOM 0 HB THR A 394 15.700 -8.376 -0.898 1.00 40.51 H new ATOM 0 HG1 THR A 394 16.379 -7.660 1.703 1.00 51.25 H new ATOM 0 HG21 THR A 394 14.102 -7.524 0.749 1.00 12.45 H new ATOM 0 HG22 THR A 394 13.682 -9.165 0.201 1.00 12.45 H new ATOM 0 HG23 THR A 394 14.434 -8.925 1.796 1.00 12.45 H new ATOM 1153 N SER A 395 17.062 -10.539 -2.107 1.00 74.20 N ATOM 1154 CA SER A 395 18.092 -10.672 -3.101 1.00 63.13 C ATOM 1155 C SER A 395 17.672 -10.048 -4.405 1.00 54.13 C ATOM 1156 O SER A 395 16.888 -10.588 -5.165 1.00 34.44 O ATOM 1157 CB SER A 395 18.540 -12.129 -3.274 1.00 3.52 C ATOM 1158 OG SER A 395 18.995 -12.670 -2.037 1.00 74.34 O ATOM 0 H SER A 395 16.107 -10.617 -2.457 1.00 74.20 H new ATOM 0 HA SER A 395 18.964 -10.123 -2.745 1.00 63.13 H new ATOM 0 HB2 SER A 395 17.711 -12.726 -3.654 1.00 3.52 H new ATOM 0 HB3 SER A 395 19.338 -12.183 -4.015 1.00 3.52 H new ATOM 0 HG SER A 395 19.274 -13.600 -2.170 1.00 74.34 H new ATOM 1164 N ASP A 396 18.130 -8.849 -4.529 1.00 60.33 N ATOM 1165 CA ASP A 396 18.066 -7.970 -5.697 1.00 65.01 C ATOM 1166 C ASP A 396 16.708 -7.639 -6.262 1.00 24.11 C ATOM 1167 O ASP A 396 16.595 -6.937 -7.248 1.00 31.02 O ATOM 1168 CB ASP A 396 19.157 -8.286 -6.703 1.00 1.35 C ATOM 1169 CG ASP A 396 20.497 -8.043 -6.032 1.00 71.35 C ATOM 1170 OD1 ASP A 396 21.042 -8.979 -5.388 1.00 44.45 O ATOM 1171 OD2 ASP A 396 20.962 -6.893 -5.978 1.00 63.34 O ATOM 0 H ASP A 396 18.609 -8.395 -3.751 1.00 60.33 H new ATOM 0 HA ASP A 396 18.297 -6.983 -5.296 1.00 65.01 H new ATOM 0 HB2 ASP A 396 19.080 -9.321 -7.037 1.00 1.35 H new ATOM 0 HB3 ASP A 396 19.054 -7.657 -7.587 1.00 1.35 H new ATOM 1176 N PHE A 397 15.684 -8.066 -5.590 1.00 3.35 N ATOM 1177 CA PHE A 397 14.357 -7.675 -5.923 1.00 3.03 C ATOM 1178 C PHE A 397 13.516 -7.835 -4.663 1.00 30.14 C ATOM 1179 O PHE A 397 13.589 -8.869 -3.994 1.00 14.51 O ATOM 1180 CB PHE A 397 13.827 -8.503 -7.095 1.00 44.14 C ATOM 1181 CG PHE A 397 12.612 -7.939 -7.769 1.00 45.05 C ATOM 1182 CD1 PHE A 397 12.755 -7.039 -8.813 1.00 13.15 C ATOM 1183 CD2 PHE A 397 11.339 -8.307 -7.380 1.00 23.41 C ATOM 1184 CE1 PHE A 397 11.653 -6.517 -9.454 1.00 64.22 C ATOM 1185 CE2 PHE A 397 10.233 -7.789 -8.020 1.00 5.01 C ATOM 1186 CZ PHE A 397 10.389 -6.894 -9.057 1.00 14.32 C ATOM 0 H PHE A 397 15.750 -8.698 -4.792 1.00 3.35 H new ATOM 0 HA PHE A 397 14.319 -6.638 -6.255 1.00 3.03 H new ATOM 0 HB2 PHE A 397 14.620 -8.607 -7.836 1.00 44.14 H new ATOM 0 HB3 PHE A 397 13.593 -9.505 -6.736 1.00 44.14 H new ATOM 0 HD1 PHE A 397 13.744 -6.743 -9.129 1.00 13.15 H new ATOM 0 HD2 PHE A 397 11.209 -9.007 -6.568 1.00 23.41 H new ATOM 0 HE1 PHE A 397 11.780 -5.815 -10.265 1.00 64.22 H new ATOM 0 HE2 PHE A 397 9.242 -8.085 -7.708 1.00 5.01 H new ATOM 0 HZ PHE A 397 9.522 -6.489 -9.557 1.00 14.32 H new ATOM 1196 N VAL A 398 12.809 -6.787 -4.296 1.00 20.11 N ATOM 1197 CA VAL A 398 12.050 -6.731 -3.057 1.00 64.50 C ATOM 1198 C VAL A 398 10.690 -6.060 -3.311 1.00 73.13 C ATOM 1199 O VAL A 398 10.591 -5.129 -4.108 1.00 44.12 O ATOM 1200 CB VAL A 398 12.797 -5.836 -2.010 1.00 32.50 C ATOM 1201 CG1 VAL A 398 12.146 -5.871 -0.636 1.00 30.34 C ATOM 1202 CG2 VAL A 398 14.286 -6.138 -1.922 1.00 64.12 C ATOM 0 H VAL A 398 12.742 -5.937 -4.855 1.00 20.11 H new ATOM 0 HA VAL A 398 11.930 -7.750 -2.690 1.00 64.50 H new ATOM 0 HB VAL A 398 12.702 -4.818 -2.387 1.00 32.50 H new ATOM 0 HG11 VAL A 398 12.706 -5.233 0.048 1.00 30.34 H new ATOM 0 HG12 VAL A 398 11.120 -5.511 -0.710 1.00 30.34 H new ATOM 0 HG13 VAL A 398 12.145 -6.894 -0.260 1.00 30.34 H new ATOM 0 HG21 VAL A 398 14.746 -5.486 -1.180 1.00 64.12 H new ATOM 0 HG22 VAL A 398 14.430 -7.178 -1.629 1.00 64.12 H new ATOM 0 HG23 VAL A 398 14.750 -5.967 -2.893 1.00 64.12 H new ATOM 1212 N TYR A 399 9.669 -6.538 -2.659 1.00 1.44 N ATOM 1213 CA TYR A 399 8.353 -5.900 -2.677 1.00 51.14 C ATOM 1214 C TYR A 399 8.059 -5.326 -1.277 1.00 73.12 C ATOM 1215 O TYR A 399 7.614 -6.047 -0.405 1.00 23.44 O ATOM 1216 CB TYR A 399 7.269 -6.946 -2.974 1.00 5.43 C ATOM 1217 CG TYR A 399 7.247 -7.522 -4.367 1.00 5.24 C ATOM 1218 CD1 TYR A 399 6.637 -6.840 -5.412 1.00 3.21 C ATOM 1219 CD2 TYR A 399 7.800 -8.768 -4.630 1.00 73.32 C ATOM 1220 CE1 TYR A 399 6.582 -7.383 -6.680 1.00 12.11 C ATOM 1221 CE2 TYR A 399 7.754 -9.316 -5.895 1.00 31.23 C ATOM 1222 CZ TYR A 399 7.142 -8.621 -6.915 1.00 40.15 C ATOM 1223 OH TYR A 399 7.086 -9.169 -8.175 1.00 25.33 O ATOM 0 H TYR A 399 9.711 -7.385 -2.092 1.00 1.44 H new ATOM 0 HA TYR A 399 8.350 -5.120 -3.438 1.00 51.14 H new ATOM 0 HB2 TYR A 399 7.387 -7.768 -2.268 1.00 5.43 H new ATOM 0 HB3 TYR A 399 6.297 -6.494 -2.777 1.00 5.43 H new ATOM 0 HD1 TYR A 399 6.199 -5.870 -5.230 1.00 3.21 H new ATOM 0 HD2 TYR A 399 8.274 -9.318 -3.830 1.00 73.32 H new ATOM 0 HE1 TYR A 399 6.103 -6.842 -7.483 1.00 12.11 H new ATOM 0 HE2 TYR A 399 8.195 -10.284 -6.085 1.00 31.23 H new ATOM 0 HH TYR A 399 7.528 -10.044 -8.171 1.00 25.33 H new ATOM 1233 N LEU A 400 8.308 -4.075 -1.060 1.00 65.21 N ATOM 1234 CA LEU A 400 8.084 -3.471 0.246 1.00 40.21 C ATOM 1235 C LEU A 400 6.670 -2.936 0.350 1.00 4.02 C ATOM 1236 O LEU A 400 6.173 -2.322 -0.568 1.00 45.31 O ATOM 1237 CB LEU A 400 9.170 -2.402 0.539 1.00 52.22 C ATOM 1238 CG LEU A 400 9.023 -1.516 1.800 1.00 40.11 C ATOM 1239 CD1 LEU A 400 10.397 -1.091 2.273 1.00 72.55 C ATOM 1240 CD2 LEU A 400 8.240 -0.257 1.451 1.00 25.34 C ATOM 0 H LEU A 400 8.670 -3.434 -1.766 1.00 65.21 H new ATOM 0 HA LEU A 400 8.180 -4.231 1.021 1.00 40.21 H new ATOM 0 HB2 LEU A 400 10.129 -2.916 0.606 1.00 52.22 H new ATOM 0 HB3 LEU A 400 9.223 -1.740 -0.325 1.00 52.22 H new ATOM 0 HG LEU A 400 8.506 -2.083 2.574 1.00 40.11 H new ATOM 0 HD11 LEU A 400 10.299 -0.467 3.161 1.00 72.55 H new ATOM 0 HD12 LEU A 400 10.988 -1.974 2.514 1.00 72.55 H new ATOM 0 HD13 LEU A 400 10.894 -0.525 1.485 1.00 72.55 H new ATOM 0 HD21 LEU A 400 8.137 0.366 2.340 1.00 25.34 H new ATOM 0 HD22 LEU A 400 8.770 0.299 0.678 1.00 25.34 H new ATOM 0 HD23 LEU A 400 7.251 -0.533 1.085 1.00 25.34 H new ATOM 1252 N LYS A 401 6.023 -3.194 1.452 1.00 24.31 N ATOM 1253 CA LYS A 401 4.672 -2.759 1.645 1.00 54.20 C ATOM 1254 C LYS A 401 4.640 -1.802 2.824 1.00 72.44 C ATOM 1255 O LYS A 401 4.825 -2.202 3.977 1.00 2.33 O ATOM 1256 CB LYS A 401 3.772 -3.965 1.903 1.00 21.21 C ATOM 1257 CG LYS A 401 2.285 -3.670 1.864 1.00 5.33 C ATOM 1258 CD LYS A 401 1.486 -4.900 2.259 1.00 23.20 C ATOM 1259 CE LYS A 401 -0.009 -4.670 2.132 1.00 24.02 C ATOM 1260 NZ LYS A 401 -0.457 -4.598 0.717 1.00 35.25 N ATOM 0 H LYS A 401 6.418 -3.710 2.238 1.00 24.31 H new ATOM 0 HA LYS A 401 4.306 -2.249 0.754 1.00 54.20 H new ATOM 0 HB2 LYS A 401 3.995 -4.732 1.162 1.00 21.21 H new ATOM 0 HB3 LYS A 401 4.020 -4.383 2.879 1.00 21.21 H new ATOM 0 HG2 LYS A 401 2.054 -2.847 2.540 1.00 5.33 H new ATOM 0 HG3 LYS A 401 1.998 -3.350 0.862 1.00 5.33 H new ATOM 0 HD2 LYS A 401 1.779 -5.740 1.629 1.00 23.20 H new ATOM 0 HD3 LYS A 401 1.725 -5.173 3.287 1.00 23.20 H new ATOM 0 HE2 LYS A 401 -0.541 -5.476 2.637 1.00 24.02 H new ATOM 0 HE3 LYS A 401 -0.275 -3.744 2.641 1.00 24.02 H new ATOM 0 HZ1 LYS A 401 -1.482 -4.423 0.686 1.00 35.25 H new ATOM 0 HZ2 LYS A 401 0.041 -3.823 0.234 1.00 35.25 H new ATOM 0 HZ3 LYS A 401 -0.245 -5.497 0.239 1.00 35.25 H new ATOM 1274 N VAL A 402 4.436 -0.561 2.529 1.00 13.35 N ATOM 1275 CA VAL A 402 4.440 0.491 3.510 1.00 21.42 C ATOM 1276 C VAL A 402 3.031 1.115 3.654 1.00 23.22 C ATOM 1277 O VAL A 402 2.180 1.072 2.718 1.00 64.44 O ATOM 1278 CB VAL A 402 5.524 1.593 3.137 1.00 12.34 C ATOM 1279 CG1 VAL A 402 5.376 2.096 1.723 1.00 3.15 C ATOM 1280 CG2 VAL A 402 5.496 2.773 4.071 1.00 45.45 C ATOM 0 H VAL A 402 4.257 -0.235 1.579 1.00 13.35 H new ATOM 0 HA VAL A 402 4.711 0.063 4.475 1.00 21.42 H new ATOM 0 HB VAL A 402 6.482 1.083 3.236 1.00 12.34 H new ATOM 0 HG11 VAL A 402 6.141 2.846 1.522 1.00 3.15 H new ATOM 0 HG12 VAL A 402 5.491 1.265 1.027 1.00 3.15 H new ATOM 0 HG13 VAL A 402 4.389 2.541 1.597 1.00 3.15 H new ATOM 0 HG21 VAL A 402 6.256 3.494 3.770 1.00 45.45 H new ATOM 0 HG22 VAL A 402 4.514 3.244 4.033 1.00 45.45 H new ATOM 0 HG23 VAL A 402 5.698 2.437 5.088 1.00 45.45 H new ATOM 1290 N ALA A 403 2.789 1.612 4.819 1.00 71.41 N ATOM 1291 CA ALA A 403 1.630 2.345 5.186 1.00 51.33 C ATOM 1292 C ALA A 403 2.161 3.516 5.968 1.00 65.24 C ATOM 1293 O ALA A 403 3.289 3.476 6.400 1.00 21.33 O ATOM 1294 CB ALA A 403 0.707 1.494 6.048 1.00 13.34 C ATOM 0 H ALA A 403 3.444 1.508 5.594 1.00 71.41 H new ATOM 0 HA ALA A 403 1.042 2.655 4.322 1.00 51.33 H new ATOM 0 HB1 ALA A 403 -0.175 2.074 6.319 1.00 13.34 H new ATOM 0 HB2 ALA A 403 0.402 0.609 5.490 1.00 13.34 H new ATOM 0 HB3 ALA A 403 1.233 1.189 6.953 1.00 13.34 H new ATOM 1300 N LYS A 404 1.449 4.567 6.077 1.00 53.43 N ATOM 1301 CA LYS A 404 1.959 5.649 6.859 1.00 52.32 C ATOM 1302 C LYS A 404 1.425 5.609 8.266 1.00 71.40 C ATOM 1303 O LYS A 404 0.357 5.040 8.487 1.00 23.03 O ATOM 1304 CB LYS A 404 1.788 6.963 6.137 1.00 31.53 C ATOM 1305 CG LYS A 404 2.824 7.089 5.043 1.00 63.22 C ATOM 1306 CD LYS A 404 2.743 8.389 4.322 1.00 71.51 C ATOM 1307 CE LYS A 404 3.945 8.570 3.410 1.00 11.14 C ATOM 1308 NZ LYS A 404 5.219 8.667 4.161 1.00 32.02 N ATOM 0 H LYS A 404 0.533 4.713 5.652 1.00 53.43 H new ATOM 0 HA LYS A 404 3.037 5.535 6.978 1.00 52.32 H new ATOM 0 HB2 LYS A 404 0.787 7.026 5.710 1.00 31.53 H new ATOM 0 HB3 LYS A 404 1.887 7.790 6.840 1.00 31.53 H new ATOM 0 HG2 LYS A 404 3.818 6.980 5.476 1.00 63.22 H new ATOM 0 HG3 LYS A 404 2.695 6.274 4.330 1.00 63.22 H new ATOM 0 HD2 LYS A 404 1.825 8.429 3.735 1.00 71.51 H new ATOM 0 HD3 LYS A 404 2.698 9.207 5.040 1.00 71.51 H new ATOM 0 HE2 LYS A 404 3.999 7.732 2.716 1.00 11.14 H new ATOM 0 HE3 LYS A 404 3.810 9.471 2.812 1.00 11.14 H new ATOM 0 HZ1 LYS A 404 5.911 9.206 3.602 1.00 32.02 H new ATOM 0 HZ2 LYS A 404 5.052 9.151 5.066 1.00 32.02 H new ATOM 0 HZ3 LYS A 404 5.589 7.712 4.342 1.00 32.02 H new ATOM 1538 N ASN B 147 17.228 1.923 18.325 1.00 30.32 N ATOM 1539 CA ASN B 147 18.180 2.376 17.307 1.00 60.12 C ATOM 1540 C ASN B 147 17.541 2.195 15.978 1.00 14.14 C ATOM 1541 O ASN B 147 16.499 1.551 15.894 1.00 13.01 O ATOM 1542 CB ASN B 147 19.502 1.540 17.338 1.00 12.11 C ATOM 1543 CG ASN B 147 19.543 0.260 16.421 1.00 71.32 C ATOM 1544 OD1 ASN B 147 18.537 -0.353 16.057 1.00 64.14 O ATOM 1545 ND2 ASN B 147 20.706 -0.210 16.165 1.00 12.11 N ATOM 0 HA ASN B 147 18.433 3.418 17.501 1.00 60.12 H new ATOM 0 HB2 ASN B 147 20.326 2.193 17.050 1.00 12.11 H new ATOM 0 HB3 ASN B 147 19.686 1.229 18.367 1.00 12.11 H new ATOM 0 HD21 ASN B 147 20.800 -1.091 15.660 1.00 12.11 H new ATOM 0 HD22 ASN B 147 21.538 0.297 16.466 1.00 12.11 H new ATOM 1552 N GLU B 148 18.077 2.797 14.972 1.00 54.52 N ATOM 1553 CA GLU B 148 17.744 2.367 13.673 1.00 72.31 C ATOM 1554 C GLU B 148 18.851 1.423 13.194 1.00 21.52 C ATOM 1555 O GLU B 148 20.004 1.568 13.602 1.00 43.24 O ATOM 1556 CB GLU B 148 17.483 3.497 12.684 1.00 41.30 C ATOM 1557 CG GLU B 148 18.630 4.440 12.412 1.00 3.32 C ATOM 1558 CD GLU B 148 18.780 5.508 13.436 1.00 40.04 C ATOM 1559 OE1 GLU B 148 17.964 6.441 13.433 1.00 54.44 O ATOM 1560 OE2 GLU B 148 19.776 5.533 14.158 1.00 15.11 O ATOM 0 H GLU B 148 18.735 3.574 15.028 1.00 54.52 H new ATOM 0 HA GLU B 148 16.788 1.845 13.721 1.00 72.31 H new ATOM 0 HB2 GLU B 148 17.174 3.055 11.737 1.00 41.30 H new ATOM 0 HB3 GLU B 148 16.641 4.083 13.052 1.00 41.30 H new ATOM 0 HG2 GLU B 148 19.556 3.867 12.359 1.00 3.32 H new ATOM 0 HG3 GLU B 148 18.485 4.902 11.436 1.00 3.32 H new ATOM 1567 N THR B 149 18.536 0.485 12.360 1.00 73.33 N ATOM 1568 CA THR B 149 19.540 -0.432 11.868 1.00 3.44 C ATOM 1569 C THR B 149 19.421 -0.547 10.359 1.00 41.43 C ATOM 1570 O THR B 149 18.314 -0.667 9.822 1.00 42.51 O ATOM 1571 CB THR B 149 19.396 -1.843 12.529 1.00 12.31 C ATOM 1572 OG1 THR B 149 19.559 -1.740 13.948 1.00 12.13 O ATOM 1573 CG2 THR B 149 20.433 -2.827 11.990 1.00 22.42 C ATOM 0 H THR B 149 17.595 0.325 11.999 1.00 73.33 H new ATOM 0 HA THR B 149 20.523 -0.042 12.131 1.00 3.44 H new ATOM 0 HB THR B 149 18.400 -2.214 12.286 1.00 12.31 H new ATOM 0 HG1 THR B 149 18.917 -1.091 14.305 1.00 12.13 H new ATOM 0 HG21 THR B 149 20.301 -3.795 12.473 1.00 22.42 H new ATOM 0 HG22 THR B 149 20.304 -2.938 10.913 1.00 22.42 H new ATOM 0 HG23 THR B 149 21.435 -2.451 12.199 1.00 22.42 H new ATOM 1581 N GLN B 150 20.562 -0.432 9.681 1.00 34.13 N ATOM 1582 CA GLN B 150 20.616 -0.483 8.236 1.00 22.35 C ATOM 1583 C GLN B 150 20.421 -1.899 7.745 1.00 42.20 C ATOM 1584 O GLN B 150 21.041 -2.856 8.261 1.00 42.21 O ATOM 1585 CB GLN B 150 21.961 0.026 7.703 1.00 14.10 C ATOM 1586 CG GLN B 150 21.998 0.175 6.177 1.00 33.43 C ATOM 1587 CD GLN B 150 23.403 0.247 5.616 1.00 72.02 C ATOM 1588 OE1 GLN B 150 23.999 1.308 5.521 1.00 24.31 O ATOM 1589 NE2 GLN B 150 23.907 -0.872 5.175 1.00 32.15 N ATOM 0 H GLN B 150 21.471 -0.301 10.126 1.00 34.13 H new ATOM 0 HA GLN B 150 19.815 0.159 7.868 1.00 22.35 H new ATOM 0 HB2 GLN B 150 22.182 0.991 8.160 1.00 14.10 H new ATOM 0 HB3 GLN B 150 22.749 -0.661 8.012 1.00 14.10 H new ATOM 0 HG2 GLN B 150 21.476 -0.668 5.724 1.00 33.43 H new ATOM 0 HG3 GLN B 150 21.454 1.076 5.894 1.00 33.43 H new ATOM 0 HE21 GLN B 150 23.381 -1.741 5.271 1.00 32.15 H new ATOM 0 HE22 GLN B 150 24.827 -0.878 4.734 1.00 32.15 H new ATOM 1598 N VAL B 151 19.559 -2.035 6.801 1.00 64.22 N ATOM 1599 CA VAL B 151 19.351 -3.266 6.128 1.00 14.12 C ATOM 1600 C VAL B 151 20.378 -3.394 5.022 1.00 50.24 C ATOM 1601 O VAL B 151 20.228 -2.712 3.979 1.00 42.31 O ATOM 1602 CB VAL B 151 17.959 -3.366 5.526 1.00 33.14 C ATOM 1603 CG1 VAL B 151 17.775 -4.726 4.907 1.00 42.02 C ATOM 1604 CG2 VAL B 151 16.905 -3.090 6.577 1.00 43.42 C ATOM 1605 OXT VAL B 151 21.327 -4.173 5.215 1.00 37.07 O ATOM 0 H VAL B 151 18.965 -1.275 6.468 1.00 64.22 H new ATOM 0 HA VAL B 151 19.453 -4.069 6.858 1.00 14.12 H new ATOM 0 HB VAL B 151 17.847 -2.613 4.746 1.00 33.14 H new ATOM 0 HG11 VAL B 151 16.777 -4.797 4.475 1.00 42.02 H new ATOM 0 HG12 VAL B 151 18.520 -4.874 4.125 1.00 42.02 H new ATOM 0 HG13 VAL B 151 17.895 -5.493 5.672 1.00 42.02 H new ATOM 0 HG21 VAL B 151 15.915 -3.166 6.128 1.00 43.42 H new ATOM 0 HG22 VAL B 151 16.995 -3.819 7.383 1.00 43.42 H new ATOM 0 HG23 VAL B 151 17.045 -2.086 6.978 1.00 43.42 H new