USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1056 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 99 ASN : amide:sc= -2.65! K(o=-2.8!,f=-3.7) USER MOD Set 1.2: A 102 MET CE :methyl -131:sc= -0.121 (180deg=-2.32!) USER MOD Set 2.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= -0.229 USER MOD Set 3.1: A 2 SER OG : rot 180:sc= -0.0373 USER MOD Set 3.2: A 3 HIS : no HD1:sc= 1.14 K(o=1.1,f=-5.1!) USER MOD Single : A 4 SER OG : rot -27:sc= 0.603 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -3.11! C(o=-4.2!,f=-3.1!) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -64:sc= 1.21 USER MOD Single : A 36 LYS NZ :NH3+ -145:sc= -0.141 (180deg=-2.7!) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 43 SER OG : rot -80:sc= -0.613! USER MOD Single : A 44 THR OG1 : rot -18:sc= 0.71 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.488 F(o=-1.4,f=-0.49) USER MOD Single : A 51 THR OG1 : rot -5:sc= -1.82! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 130:sc= 0.0384 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -177:sc= 0 (180deg=-0.00718) USER MOD Single : A 59 MET CE :methyl -126:sc= 0 (180deg=-2.25) USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 2.1 (180deg=1.94) USER MOD Single : A 69 SER OG : rot 180:sc= -1.35 USER MOD Single : A 70 LYS NZ :NH3+ -125:sc= 0.929 (180deg=-1.31!) USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.18) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc=-0.00551 K(o=-0.0055,f=-0.62) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.148 F(o=-1.7,f=-0.15) USER MOD Single : A 83 LYS NZ :NH3+ -161:sc= 1.19 (180deg=1.02) USER MOD Single : A 85 GLN : amide:sc= -0.433 K(o=-0.43,f=-3.7!) USER MOD Single : A 87 HIS :FLIP no HD1:sc=-0.00113 F(o=-1,f=-0.0011) USER MOD Single : A 88 MET CE :methyl -171:sc= -2.4 (180deg=-2.49) USER MOD Single : A 90 SER OG : rot -86:sc= 1.45 USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 93 ASN : amide:sc= -1.78! C(o=-1.8!,f=-14!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -160:sc= -2.85! (180deg=-5.18!) USER MOD Single : A 101 LYS NZ :NH3+ -159:sc= 1.12 (180deg=0.626) USER MOD Single : A 103 THR OG1 : rot 89:sc= 1.31 USER MOD Single : A 105 GLN : amide:sc= -5.08! C(o=-5.1!,f=-8.5!) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 150:sc= -1.38! USER MOD Single : A 112 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0212) USER MOD Single : B 246 TYR OH : rot -32:sc= 0.0261 USER MOD Single : B 250 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 252 SER OG : rot -62:sc= 1.27 USER MOD Single : B 256 SER OG : rot -20:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 16.283 -5.847 -0.057 1.00 2.67 N ATOM 2 CA PRO A 1 15.607 -6.940 0.655 1.00 2.00 C ATOM 3 C PRO A 1 14.520 -6.416 1.590 1.00 1.62 C ATOM 4 O PRO A 1 13.380 -6.875 1.536 1.00 2.41 O ATOM 5 CB PRO A 1 16.654 -7.727 1.421 1.00 2.55 C ATOM 6 CG PRO A 1 17.953 -7.295 0.812 1.00 3.07 C ATOM 7 CD PRO A 1 17.634 -6.356 -0.340 1.00 3.14 C ATOM 0 H2 PRO A 1 16.319 -5.001 0.512 1.00 2.67 H new ATOM 0 H3 PRO A 1 15.791 -5.607 -0.918 1.00 2.67 H new ATOM 0 HA PRO A 1 15.108 -7.588 -0.066 1.00 2.00 H new ATOM 0 HB2 PRO A 1 16.620 -7.504 2.487 1.00 2.55 H new ATOM 0 HB3 PRO A 1 16.502 -8.801 1.315 1.00 2.55 H new ATOM 0 HG2 PRO A 1 18.575 -6.793 1.553 1.00 3.07 H new ATOM 0 HG3 PRO A 1 18.515 -8.159 0.457 1.00 3.07 H new ATOM 0 HD2 PRO A 1 18.358 -5.543 -0.398 1.00 3.14 H new ATOM 0 HD3 PRO A 1 17.666 -6.879 -1.296 1.00 3.14 H new ATOM 17 N SER A 2 14.864 -5.458 2.443 1.00 0.89 N ATOM 18 CA SER A 2 13.885 -4.864 3.343 1.00 0.52 C ATOM 19 C SER A 2 13.378 -3.536 2.795 1.00 0.49 C ATOM 20 O SER A 2 12.189 -3.370 2.535 1.00 1.09 O ATOM 21 CB SER A 2 14.496 -4.670 4.729 1.00 0.74 C ATOM 22 OG SER A 2 15.721 -3.959 4.651 1.00 1.40 O ATOM 0 H SER A 2 15.807 -5.079 2.530 1.00 0.89 H new ATOM 0 HA SER A 2 13.036 -5.543 3.423 1.00 0.52 H new ATOM 0 HB2 SER A 2 13.797 -4.128 5.366 1.00 0.74 H new ATOM 0 HB3 SER A 2 14.664 -5.641 5.195 1.00 0.74 H new ATOM 0 HG SER A 2 16.092 -3.846 5.551 1.00 1.40 H new ATOM 28 N HIS A 3 14.293 -2.600 2.597 1.00 0.35 N ATOM 29 CA HIS A 3 13.947 -1.291 2.065 1.00 0.24 C ATOM 30 C HIS A 3 13.926 -1.312 0.543 1.00 0.16 C ATOM 31 O HIS A 3 13.882 -0.270 -0.098 1.00 0.19 O ATOM 32 CB HIS A 3 14.958 -0.233 2.524 1.00 0.32 C ATOM 33 CG HIS A 3 14.729 0.322 3.896 1.00 0.71 C ATOM 34 ND1 HIS A 3 15.112 -0.321 5.053 1.00 1.12 N ATOM 35 CD2 HIS A 3 14.185 1.499 4.284 1.00 1.43 C ATOM 36 CE1 HIS A 3 14.810 0.437 6.093 1.00 1.64 C ATOM 37 NE2 HIS A 3 14.248 1.547 5.652 1.00 1.85 N ATOM 0 H HIS A 3 15.285 -2.723 2.798 1.00 0.35 H new ATOM 0 HA HIS A 3 12.955 -1.040 2.441 1.00 0.24 H new ATOM 0 HB2 HIS A 3 15.956 -0.670 2.489 1.00 0.32 H new ATOM 0 HB3 HIS A 3 14.945 0.591 1.810 1.00 0.32 H new ATOM 0 HD2 HIS A 3 13.777 2.260 3.635 1.00 1.43 H new ATOM 0 HE1 HIS A 3 14.992 0.190 7.128 1.00 1.64 H new ATOM 0 HE2 HIS A 3 13.915 2.315 6.235 1.00 1.85 H new ATOM 46 N SER A 4 13.973 -2.495 -0.030 1.00 0.14 N ATOM 47 CA SER A 4 13.980 -2.650 -1.483 1.00 0.13 C ATOM 48 C SER A 4 13.579 -4.076 -1.853 1.00 0.15 C ATOM 49 O SER A 4 13.957 -5.027 -1.170 1.00 0.24 O ATOM 50 CB SER A 4 15.364 -2.336 -2.074 1.00 0.17 C ATOM 51 OG SER A 4 15.898 -1.121 -1.568 1.00 0.95 O ATOM 0 H SER A 4 14.007 -3.374 0.486 1.00 0.14 H new ATOM 0 HA SER A 4 13.263 -1.943 -1.900 1.00 0.13 H new ATOM 0 HB2 SER A 4 16.048 -3.154 -1.848 1.00 0.17 H new ATOM 0 HB3 SER A 4 15.289 -2.274 -3.160 1.00 0.17 H new ATOM 0 HG SER A 4 15.165 -0.523 -1.313 1.00 0.95 H new ATOM 57 N GLY A 5 12.811 -4.216 -2.921 1.00 0.14 N ATOM 58 CA GLY A 5 12.366 -5.521 -3.369 1.00 0.15 C ATOM 59 C GLY A 5 11.614 -5.414 -4.676 1.00 0.15 C ATOM 60 O GLY A 5 10.888 -4.451 -4.886 1.00 0.16 O ATOM 0 H GLY A 5 12.483 -3.438 -3.494 1.00 0.14 H new ATOM 0 HA2 GLY A 5 13.225 -6.180 -3.492 1.00 0.15 H new ATOM 0 HA3 GLY A 5 11.725 -5.971 -2.611 1.00 0.15 H new ATOM 64 N ALA A 6 11.784 -6.381 -5.561 1.00 0.16 N ATOM 65 CA ALA A 6 11.176 -6.300 -6.885 1.00 0.17 C ATOM 66 C ALA A 6 9.676 -6.613 -6.844 1.00 0.21 C ATOM 67 O ALA A 6 9.283 -7.729 -6.508 1.00 0.43 O ATOM 68 CB ALA A 6 11.876 -7.232 -7.856 1.00 0.21 C ATOM 0 H ALA A 6 12.332 -7.225 -5.393 1.00 0.16 H new ATOM 0 HA ALA A 6 11.294 -5.273 -7.231 1.00 0.17 H new ATOM 0 HB1 ALA A 6 11.406 -7.155 -8.837 1.00 0.21 H new ATOM 0 HB2 ALA A 6 12.927 -6.953 -7.934 1.00 0.21 H new ATOM 0 HB3 ALA A 6 11.798 -8.258 -7.496 1.00 0.21 H new ATOM 74 N ALA A 7 8.846 -5.640 -7.214 1.00 0.11 N ATOM 75 CA ALA A 7 7.391 -5.804 -7.160 1.00 0.12 C ATOM 76 C ALA A 7 6.732 -5.485 -8.498 1.00 0.12 C ATOM 77 O ALA A 7 7.313 -4.831 -9.357 1.00 0.13 O ATOM 78 CB ALA A 7 6.783 -4.919 -6.080 1.00 0.12 C ATOM 0 H ALA A 7 9.154 -4.729 -7.555 1.00 0.11 H new ATOM 0 HA ALA A 7 7.203 -6.851 -6.922 1.00 0.12 H new ATOM 0 HB1 ALA A 7 5.702 -5.059 -6.060 1.00 0.12 H new ATOM 0 HB2 ALA A 7 7.202 -5.189 -5.110 1.00 0.12 H new ATOM 0 HB3 ALA A 7 7.009 -3.875 -6.295 1.00 0.12 H new ATOM 84 N ILE A 8 5.504 -5.947 -8.645 1.00 0.15 N ATOM 85 CA ILE A 8 4.700 -5.707 -9.834 1.00 0.19 C ATOM 86 C ILE A 8 3.639 -4.662 -9.515 1.00 0.22 C ATOM 87 O ILE A 8 2.847 -4.836 -8.591 1.00 0.26 O ATOM 88 CB ILE A 8 3.998 -7.008 -10.321 1.00 0.23 C ATOM 89 CG1 ILE A 8 4.988 -8.038 -10.888 1.00 0.26 C ATOM 90 CG2 ILE A 8 2.943 -6.688 -11.359 1.00 0.29 C ATOM 91 CD1 ILE A 8 5.853 -8.719 -9.850 1.00 0.25 C ATOM 0 H ILE A 8 5.030 -6.506 -7.936 1.00 0.15 H new ATOM 0 HA ILE A 8 5.361 -5.357 -10.627 1.00 0.19 H new ATOM 0 HB ILE A 8 3.527 -7.454 -9.445 1.00 0.23 H new ATOM 0 HG12 ILE A 8 4.428 -8.799 -11.431 1.00 0.26 H new ATOM 0 HG13 ILE A 8 5.635 -7.541 -11.611 1.00 0.26 H new ATOM 0 HG21 ILE A 8 2.464 -7.610 -11.687 1.00 0.29 H new ATOM 0 HG22 ILE A 8 2.195 -6.025 -10.925 1.00 0.29 H new ATOM 0 HG23 ILE A 8 3.410 -6.198 -12.213 1.00 0.29 H new ATOM 0 HD11 ILE A 8 6.520 -9.428 -10.341 1.00 0.25 H new ATOM 0 HD12 ILE A 8 6.444 -7.971 -9.322 1.00 0.25 H new ATOM 0 HD13 ILE A 8 5.219 -9.249 -9.139 1.00 0.25 H new ATOM 103 N PHE A 9 3.627 -3.581 -10.271 1.00 0.28 N ATOM 104 CA PHE A 9 2.688 -2.503 -10.024 1.00 0.34 C ATOM 105 C PHE A 9 1.753 -2.328 -11.211 1.00 0.46 C ATOM 106 O PHE A 9 2.153 -1.816 -12.246 1.00 0.52 O ATOM 107 CB PHE A 9 3.443 -1.204 -9.738 1.00 0.35 C ATOM 108 CG PHE A 9 2.565 0.011 -9.608 1.00 0.40 C ATOM 109 CD1 PHE A 9 1.865 0.256 -8.439 1.00 0.40 C ATOM 110 CD2 PHE A 9 2.451 0.915 -10.653 1.00 0.50 C ATOM 111 CE1 PHE A 9 1.067 1.374 -8.315 1.00 0.45 C ATOM 112 CE2 PHE A 9 1.652 2.034 -10.534 1.00 0.56 C ATOM 113 CZ PHE A 9 0.960 2.264 -9.363 1.00 0.52 C ATOM 0 H PHE A 9 4.255 -3.426 -11.060 1.00 0.28 H new ATOM 0 HA PHE A 9 2.086 -2.756 -9.151 1.00 0.34 H new ATOM 0 HB2 PHE A 9 4.013 -1.325 -8.817 1.00 0.35 H new ATOM 0 HB3 PHE A 9 4.163 -1.033 -10.538 1.00 0.35 H new ATOM 0 HD1 PHE A 9 1.945 -0.437 -7.614 1.00 0.40 H new ATOM 0 HD2 PHE A 9 2.994 0.742 -11.571 1.00 0.50 H new ATOM 0 HE1 PHE A 9 0.526 1.552 -7.397 1.00 0.45 H new ATOM 0 HE2 PHE A 9 1.569 2.729 -11.357 1.00 0.56 H new ATOM 0 HZ PHE A 9 0.335 3.140 -9.267 1.00 0.52 H new ATOM 123 N GLU A 10 0.507 -2.756 -11.048 1.00 0.58 N ATOM 124 CA GLU A 10 -0.475 -2.721 -12.128 1.00 0.73 C ATOM 125 C GLU A 10 -0.010 -3.579 -13.294 1.00 0.64 C ATOM 126 O GLU A 10 0.049 -3.132 -14.443 1.00 0.67 O ATOM 127 CB GLU A 10 -0.742 -1.294 -12.598 1.00 0.87 C ATOM 128 CG GLU A 10 -1.247 -0.380 -11.499 1.00 0.98 C ATOM 129 CD GLU A 10 -1.800 0.920 -12.038 1.00 1.21 C ATOM 130 OE1 GLU A 10 -1.021 1.713 -12.607 1.00 1.25 O ATOM 131 OE2 GLU A 10 -3.021 1.159 -11.894 1.00 1.46 O ATOM 0 H GLU A 10 0.149 -3.135 -10.171 1.00 0.58 H new ATOM 0 HA GLU A 10 -1.409 -3.125 -11.738 1.00 0.73 H new ATOM 0 HB2 GLU A 10 0.177 -0.878 -13.012 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -1.474 -1.317 -13.406 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -2.023 -0.894 -10.931 1.00 0.98 H new ATOM 0 HG3 GLU A 10 -0.433 -0.166 -10.806 1.00 0.98 H new ATOM 138 N LYS A 11 0.358 -4.805 -12.952 1.00 0.58 N ATOM 139 CA LYS A 11 0.657 -5.869 -13.912 1.00 0.55 C ATOM 140 C LYS A 11 2.018 -5.704 -14.599 1.00 0.49 C ATOM 141 O LYS A 11 2.470 -6.614 -15.294 1.00 0.56 O ATOM 142 CB LYS A 11 -0.464 -6.001 -14.943 1.00 0.65 C ATOM 143 CG LYS A 11 -1.830 -6.052 -14.290 1.00 0.74 C ATOM 144 CD LYS A 11 -2.011 -7.257 -13.405 1.00 1.29 C ATOM 145 CE LYS A 11 -3.135 -7.035 -12.416 1.00 1.32 C ATOM 146 NZ LYS A 11 -3.288 -8.171 -11.469 1.00 1.91 N ATOM 0 H LYS A 11 0.461 -5.099 -11.981 1.00 0.58 H new ATOM 0 HA LYS A 11 0.719 -6.792 -13.336 1.00 0.55 H new ATOM 0 HB2 LYS A 11 -0.423 -5.159 -15.633 1.00 0.65 H new ATOM 0 HB3 LYS A 11 -0.310 -6.904 -15.533 1.00 0.65 H new ATOM 0 HG2 LYS A 11 -1.979 -5.148 -13.700 1.00 0.74 H new ATOM 0 HG3 LYS A 11 -2.597 -6.057 -15.064 1.00 0.74 H new ATOM 0 HD2 LYS A 11 -2.227 -8.133 -14.016 1.00 1.29 H new ATOM 0 HD3 LYS A 11 -1.084 -7.462 -12.869 1.00 1.29 H new ATOM 0 HE2 LYS A 11 -2.946 -6.120 -11.854 1.00 1.32 H new ATOM 0 HE3 LYS A 11 -4.069 -6.889 -12.958 1.00 1.32 H new ATOM 0 HZ1 LYS A 11 -4.069 -7.973 -10.812 1.00 1.91 H new ATOM 0 HZ2 LYS A 11 -3.495 -9.041 -12.001 1.00 1.91 H new ATOM 0 HZ3 LYS A 11 -2.407 -8.296 -10.931 1.00 1.91 H new ATOM 160 N VAL A 12 2.684 -4.568 -14.403 1.00 0.44 N ATOM 161 CA VAL A 12 4.052 -4.419 -14.894 1.00 0.42 C ATOM 162 C VAL A 12 5.048 -4.799 -13.801 1.00 0.35 C ATOM 163 O VAL A 12 4.934 -4.360 -12.655 1.00 0.30 O ATOM 164 CB VAL A 12 4.383 -2.994 -15.423 1.00 0.47 C ATOM 165 CG1 VAL A 12 3.749 -1.921 -14.568 1.00 0.47 C ATOM 166 CG2 VAL A 12 5.894 -2.808 -15.472 1.00 0.46 C ATOM 0 H VAL A 12 2.309 -3.753 -13.918 1.00 0.44 H new ATOM 0 HA VAL A 12 4.137 -5.095 -15.745 1.00 0.42 H new ATOM 0 HB VAL A 12 3.970 -2.898 -16.427 1.00 0.47 H new ATOM 0 HG11 VAL A 12 4.003 -0.939 -14.969 1.00 0.47 H new ATOM 0 HG12 VAL A 12 2.666 -2.046 -14.571 1.00 0.47 H new ATOM 0 HG13 VAL A 12 4.120 -2.003 -13.547 1.00 0.47 H new ATOM 0 HG21 VAL A 12 6.126 -1.810 -15.843 1.00 0.46 H new ATOM 0 HG22 VAL A 12 6.308 -2.929 -14.471 1.00 0.46 H new ATOM 0 HG23 VAL A 12 6.331 -3.553 -16.137 1.00 0.46 H new ATOM 176 N SER A 13 6.009 -5.626 -14.168 1.00 0.35 N ATOM 177 CA SER A 13 7.040 -6.076 -13.251 1.00 0.30 C ATOM 178 C SER A 13 8.123 -5.013 -13.087 1.00 0.28 C ATOM 179 O SER A 13 8.631 -4.465 -14.070 1.00 0.40 O ATOM 180 CB SER A 13 7.633 -7.393 -13.767 1.00 0.34 C ATOM 181 OG SER A 13 8.696 -7.862 -12.955 1.00 1.02 O ATOM 0 H SER A 13 6.097 -6.005 -15.111 1.00 0.35 H new ATOM 0 HA SER A 13 6.600 -6.245 -12.268 1.00 0.30 H new ATOM 0 HB2 SER A 13 6.850 -8.150 -13.808 1.00 0.34 H new ATOM 0 HB3 SER A 13 7.993 -7.252 -14.786 1.00 0.34 H new ATOM 0 HG SER A 13 9.041 -8.703 -13.321 1.00 1.02 H new ATOM 187 N GLY A 14 8.452 -4.710 -11.840 1.00 0.16 N ATOM 188 CA GLY A 14 9.464 -3.721 -11.561 1.00 0.14 C ATOM 189 C GLY A 14 10.105 -3.912 -10.207 1.00 0.12 C ATOM 190 O GLY A 14 10.116 -5.017 -9.669 1.00 0.14 O ATOM 0 H GLY A 14 8.031 -5.136 -11.014 1.00 0.16 H new ATOM 0 HA2 GLY A 14 10.233 -3.766 -12.332 1.00 0.14 H new ATOM 0 HA3 GLY A 14 9.019 -2.727 -11.611 1.00 0.14 H new ATOM 194 N ILE A 15 10.653 -2.840 -9.665 1.00 0.11 N ATOM 195 CA ILE A 15 11.354 -2.892 -8.396 1.00 0.12 C ATOM 196 C ILE A 15 10.804 -1.859 -7.432 1.00 0.10 C ATOM 197 O ILE A 15 10.263 -0.852 -7.841 1.00 0.08 O ATOM 198 CB ILE A 15 12.863 -2.648 -8.566 1.00 0.15 C ATOM 199 CG1 ILE A 15 13.413 -3.424 -9.758 1.00 0.17 C ATOM 200 CG2 ILE A 15 13.620 -3.033 -7.308 1.00 0.17 C ATOM 201 CD1 ILE A 15 13.427 -4.922 -9.594 1.00 0.19 C ATOM 0 H ILE A 15 10.625 -1.913 -10.090 1.00 0.11 H new ATOM 0 HA ILE A 15 11.199 -3.894 -7.996 1.00 0.12 H new ATOM 0 HB ILE A 15 13.004 -1.583 -8.748 1.00 0.15 H new ATOM 0 HG12 ILE A 15 12.820 -3.176 -10.638 1.00 0.17 H new ATOM 0 HG13 ILE A 15 14.431 -3.086 -9.954 1.00 0.17 H new ATOM 0 HG21 ILE A 15 14.685 -2.851 -7.454 1.00 0.17 H new ATOM 0 HG22 ILE A 15 13.261 -2.435 -6.470 1.00 0.17 H new ATOM 0 HG23 ILE A 15 13.458 -4.090 -7.095 1.00 0.17 H new ATOM 0 HD11 ILE A 15 13.835 -5.383 -10.494 1.00 0.19 H new ATOM 0 HD12 ILE A 15 14.046 -5.188 -8.737 1.00 0.19 H new ATOM 0 HD13 ILE A 15 12.410 -5.280 -9.432 1.00 0.19 H new ATOM 213 N ILE A 16 10.945 -2.130 -6.159 1.00 0.13 N ATOM 214 CA ILE A 16 10.492 -1.233 -5.114 1.00 0.11 C ATOM 215 C ILE A 16 11.664 -0.845 -4.232 1.00 0.12 C ATOM 216 O ILE A 16 12.488 -1.687 -3.878 1.00 0.15 O ATOM 217 CB ILE A 16 9.381 -1.894 -4.266 1.00 0.12 C ATOM 218 CG1 ILE A 16 8.071 -1.150 -4.458 1.00 0.12 C ATOM 219 CG2 ILE A 16 9.738 -1.934 -2.782 1.00 0.13 C ATOM 220 CD1 ILE A 16 6.911 -1.796 -3.737 1.00 0.16 C ATOM 0 H ILE A 16 11.380 -2.984 -5.811 1.00 0.13 H new ATOM 0 HA ILE A 16 10.077 -0.338 -5.577 1.00 0.11 H new ATOM 0 HB ILE A 16 9.277 -2.923 -4.609 1.00 0.12 H new ATOM 0 HG12 ILE A 16 8.186 -0.126 -4.103 1.00 0.12 H new ATOM 0 HG13 ILE A 16 7.844 -1.095 -5.523 1.00 0.12 H new ATOM 0 HG21 ILE A 16 8.929 -2.407 -2.226 1.00 0.13 H new ATOM 0 HG22 ILE A 16 10.656 -2.506 -2.644 1.00 0.13 H new ATOM 0 HG23 ILE A 16 9.885 -0.918 -2.416 1.00 0.13 H new ATOM 0 HD11 ILE A 16 6.005 -1.217 -3.914 1.00 0.16 H new ATOM 0 HD12 ILE A 16 6.771 -2.811 -4.109 1.00 0.16 H new ATOM 0 HD13 ILE A 16 7.119 -1.827 -2.667 1.00 0.16 H new ATOM 232 N ALA A 17 11.771 0.430 -3.929 1.00 0.10 N ATOM 233 CA ALA A 17 12.786 0.891 -3.005 1.00 0.10 C ATOM 234 C ALA A 17 12.240 1.928 -2.031 1.00 0.08 C ATOM 235 O ALA A 17 11.944 3.055 -2.410 1.00 0.08 O ATOM 236 CB ALA A 17 13.981 1.434 -3.765 1.00 0.12 C ATOM 0 H ALA A 17 11.171 1.164 -4.306 1.00 0.10 H new ATOM 0 HA ALA A 17 13.108 0.036 -2.411 1.00 0.10 H new ATOM 0 HB1 ALA A 17 14.736 1.777 -3.058 1.00 0.12 H new ATOM 0 HB2 ALA A 17 14.401 0.648 -4.392 1.00 0.12 H new ATOM 0 HB3 ALA A 17 13.665 2.268 -4.392 1.00 0.12 H new ATOM 242 N ILE A 18 12.119 1.535 -0.775 1.00 0.08 N ATOM 243 CA ILE A 18 11.791 2.460 0.291 1.00 0.08 C ATOM 244 C ILE A 18 13.072 3.127 0.739 1.00 0.09 C ATOM 245 O ILE A 18 13.999 2.463 1.198 1.00 0.18 O ATOM 246 CB ILE A 18 11.192 1.790 1.539 1.00 0.10 C ATOM 247 CG1 ILE A 18 10.047 0.849 1.169 1.00 0.12 C ATOM 248 CG2 ILE A 18 10.730 2.863 2.524 1.00 0.13 C ATOM 249 CD1 ILE A 18 10.490 -0.576 0.970 1.00 0.12 C ATOM 0 H ILE A 18 12.245 0.570 -0.468 1.00 0.08 H new ATOM 0 HA ILE A 18 11.048 3.148 -0.113 1.00 0.08 H new ATOM 0 HB ILE A 18 11.962 1.183 2.015 1.00 0.10 H new ATOM 0 HG12 ILE A 18 9.291 0.881 1.954 1.00 0.12 H new ATOM 0 HG13 ILE A 18 9.573 1.206 0.255 1.00 0.12 H new ATOM 0 HG21 ILE A 18 10.306 2.387 3.408 1.00 0.13 H new ATOM 0 HG22 ILE A 18 11.580 3.479 2.816 1.00 0.13 H new ATOM 0 HG23 ILE A 18 9.974 3.490 2.051 1.00 0.13 H new ATOM 0 HD11 ILE A 18 9.629 -1.192 0.709 1.00 0.12 H new ATOM 0 HD12 ILE A 18 11.224 -0.620 0.166 1.00 0.12 H new ATOM 0 HD13 ILE A 18 10.938 -0.950 1.891 1.00 0.12 H new ATOM 261 N ASN A 19 13.133 4.420 0.599 1.00 0.13 N ATOM 262 CA ASN A 19 14.322 5.149 0.951 1.00 0.18 C ATOM 263 C ASN A 19 14.004 6.174 1.992 1.00 0.20 C ATOM 264 O ASN A 19 13.127 7.010 1.784 1.00 0.21 O ATOM 265 CB ASN A 19 14.912 5.816 -0.297 1.00 0.22 C ATOM 266 CG ASN A 19 15.832 6.983 0.023 1.00 0.43 C ATOM 267 OD1 ASN A 19 15.276 8.187 0.029 1.00 1.12 O flip ATOM 268 ND2 ASN A 19 17.025 6.807 0.252 1.00 0.29 N flip ATOM 0 H ASN A 19 12.370 4.995 0.242 1.00 0.13 H new ATOM 0 HA ASN A 19 15.059 4.458 1.359 1.00 0.18 H new ATOM 0 HB2 ASN A 19 15.466 5.073 -0.870 1.00 0.22 H new ATOM 0 HB3 ASN A 19 14.098 6.167 -0.932 1.00 0.22 H new ATOM 0 HD21 ASN A 19 17.413 5.864 0.238 1.00 0.29 H new ATOM 0 HD22 ASN A 19 17.628 7.604 0.457 1.00 0.29 H new ATOM 275 N GLU A 20 14.675 6.118 3.130 1.00 0.24 N ATOM 276 CA GLU A 20 14.641 7.275 3.963 1.00 0.28 C ATOM 277 C GLU A 20 16.023 7.920 3.897 1.00 0.34 C ATOM 278 O GLU A 20 16.893 7.674 4.734 1.00 0.40 O ATOM 279 CB GLU A 20 14.340 6.852 5.403 1.00 0.33 C ATOM 280 CG GLU A 20 13.227 5.829 5.519 1.00 0.33 C ATOM 281 CD GLU A 20 13.282 5.058 6.820 1.00 0.55 C ATOM 282 OE1 GLU A 20 12.880 5.606 7.865 1.00 0.70 O ATOM 283 OE2 GLU A 20 13.742 3.894 6.807 1.00 0.74 O ATOM 0 H GLU A 20 15.217 5.325 3.473 1.00 0.24 H new ATOM 0 HA GLU A 20 13.872 7.974 3.634 1.00 0.28 H new ATOM 0 HB2 GLU A 20 15.246 6.442 5.848 1.00 0.33 H new ATOM 0 HB3 GLU A 20 14.071 7.735 5.983 1.00 0.33 H new ATOM 0 HG2 GLU A 20 12.264 6.334 5.440 1.00 0.33 H new ATOM 0 HG3 GLU A 20 13.291 5.131 4.684 1.00 0.33 H new ATOM 290 N ASP A 21 16.208 8.717 2.862 1.00 0.35 N ATOM 291 CA ASP A 21 17.188 9.786 2.790 1.00 0.41 C ATOM 292 C ASP A 21 16.419 11.059 2.516 1.00 0.41 C ATOM 293 O ASP A 21 16.908 12.181 2.639 1.00 0.46 O ATOM 294 CB ASP A 21 18.213 9.495 1.684 1.00 0.44 C ATOM 295 CG ASP A 21 19.109 10.675 1.368 1.00 0.51 C ATOM 296 OD1 ASP A 21 20.082 10.908 2.116 1.00 0.59 O ATOM 297 OD2 ASP A 21 18.852 11.363 0.357 1.00 0.53 O ATOM 0 H ASP A 21 15.654 8.634 2.009 1.00 0.35 H new ATOM 0 HA ASP A 21 17.751 9.878 3.719 1.00 0.41 H new ATOM 0 HB2 ASP A 21 18.831 8.649 1.985 1.00 0.44 H new ATOM 0 HB3 ASP A 21 17.685 9.197 0.778 1.00 0.44 H new ATOM 302 N VAL A 22 15.161 10.818 2.187 1.00 0.35 N ATOM 303 CA VAL A 22 14.347 11.713 1.388 1.00 0.33 C ATOM 304 C VAL A 22 13.366 12.520 2.242 1.00 0.31 C ATOM 305 O VAL A 22 13.273 12.326 3.457 1.00 0.30 O ATOM 306 CB VAL A 22 13.564 10.811 0.384 1.00 0.30 C ATOM 307 CG1 VAL A 22 12.625 9.884 1.132 1.00 0.25 C ATOM 308 CG2 VAL A 22 12.792 11.585 -0.668 1.00 0.32 C ATOM 0 H VAL A 22 14.667 9.974 2.476 1.00 0.35 H new ATOM 0 HA VAL A 22 14.980 12.441 0.881 1.00 0.33 H new ATOM 0 HB VAL A 22 14.319 10.235 -0.151 1.00 0.30 H new ATOM 0 HG11 VAL A 22 12.085 9.260 0.419 1.00 0.25 H new ATOM 0 HG12 VAL A 22 13.201 9.250 1.806 1.00 0.25 H new ATOM 0 HG13 VAL A 22 11.914 10.475 1.709 1.00 0.25 H new ATOM 0 HG21 VAL A 22 12.275 10.887 -1.327 1.00 0.32 H new ATOM 0 HG22 VAL A 22 12.063 12.232 -0.181 1.00 0.32 H new ATOM 0 HG23 VAL A 22 13.483 12.192 -1.253 1.00 0.32 H new ATOM 318 N SER A 23 12.673 13.448 1.586 1.00 0.32 N ATOM 319 CA SER A 23 11.486 14.092 2.129 1.00 0.28 C ATOM 320 C SER A 23 10.523 12.976 2.513 1.00 0.18 C ATOM 321 O SER A 23 10.719 11.872 2.023 1.00 0.16 O ATOM 322 CB SER A 23 10.896 15.018 1.073 1.00 0.35 C ATOM 323 OG SER A 23 11.911 15.818 0.484 1.00 1.31 O ATOM 0 H SER A 23 12.925 13.775 0.653 1.00 0.32 H new ATOM 0 HA SER A 23 11.705 14.702 3.005 1.00 0.28 H new ATOM 0 HB2 SER A 23 10.398 14.429 0.303 1.00 0.35 H new ATOM 0 HB3 SER A 23 10.138 15.658 1.525 1.00 0.35 H new ATOM 0 HG SER A 23 11.513 16.405 -0.193 1.00 1.31 H new ATOM 329 N PRO A 24 9.439 13.204 3.288 1.00 0.16 N ATOM 330 CA PRO A 24 8.905 12.161 4.189 1.00 0.16 C ATOM 331 C PRO A 24 8.898 10.798 3.517 1.00 0.15 C ATOM 332 O PRO A 24 8.349 10.645 2.423 1.00 0.22 O ATOM 333 CB PRO A 24 7.469 12.637 4.439 1.00 0.21 C ATOM 334 CG PRO A 24 7.224 13.659 3.387 1.00 0.19 C ATOM 335 CD PRO A 24 8.540 14.357 3.245 1.00 0.17 C ATOM 0 HA PRO A 24 9.497 12.039 5.096 1.00 0.16 H new ATOM 0 HB2 PRO A 24 6.760 11.813 4.364 1.00 0.21 H new ATOM 0 HB3 PRO A 24 7.360 13.061 5.437 1.00 0.21 H new ATOM 0 HG2 PRO A 24 6.913 13.199 2.449 1.00 0.19 H new ATOM 0 HG3 PRO A 24 6.435 14.351 3.680 1.00 0.19 H new ATOM 0 HD2 PRO A 24 8.619 14.914 2.311 1.00 0.17 H new ATOM 0 HD3 PRO A 24 8.728 15.063 4.054 1.00 0.17 H new ATOM 343 N ALA A 25 9.493 9.825 4.230 1.00 0.15 N ATOM 344 CA ALA A 25 10.023 8.587 3.638 1.00 0.14 C ATOM 345 C ALA A 25 9.245 8.116 2.437 1.00 0.14 C ATOM 346 O ALA A 25 8.019 8.016 2.457 1.00 0.18 O ATOM 347 CB ALA A 25 10.120 7.482 4.661 1.00 0.20 C ATOM 0 H ALA A 25 9.620 9.878 5.241 1.00 0.15 H new ATOM 0 HA ALA A 25 11.025 8.838 3.289 1.00 0.14 H new ATOM 0 HB1 ALA A 25 10.515 6.583 4.189 1.00 0.20 H new ATOM 0 HB2 ALA A 25 10.785 7.790 5.468 1.00 0.20 H new ATOM 0 HB3 ALA A 25 9.130 7.274 5.067 1.00 0.20 H new ATOM 353 N GLU A 26 9.987 7.775 1.409 1.00 0.14 N ATOM 354 CA GLU A 26 9.415 7.530 0.119 1.00 0.15 C ATOM 355 C GLU A 26 9.781 6.146 -0.387 1.00 0.11 C ATOM 356 O GLU A 26 10.901 5.672 -0.208 1.00 0.13 O ATOM 357 CB GLU A 26 9.828 8.606 -0.910 1.00 0.27 C ATOM 358 CG GLU A 26 9.099 9.929 -0.741 1.00 0.66 C ATOM 359 CD GLU A 26 9.333 10.877 -1.901 1.00 0.71 C ATOM 360 OE1 GLU A 26 10.405 10.807 -2.533 1.00 1.26 O ATOM 361 OE2 GLU A 26 8.446 11.712 -2.182 1.00 1.14 O ATOM 0 H GLU A 26 11.000 7.662 1.450 1.00 0.14 H new ATOM 0 HA GLU A 26 8.333 7.582 0.237 1.00 0.15 H new ATOM 0 HB2 GLU A 26 10.901 8.780 -0.829 1.00 0.27 H new ATOM 0 HB3 GLU A 26 9.642 8.225 -1.914 1.00 0.27 H new ATOM 0 HG2 GLU A 26 8.030 9.740 -0.641 1.00 0.66 H new ATOM 0 HG3 GLU A 26 9.427 10.404 0.184 1.00 0.66 H new ATOM 368 N LEU A 27 8.817 5.514 -1.017 1.00 0.10 N ATOM 369 CA LEU A 27 9.013 4.256 -1.704 1.00 0.09 C ATOM 370 C LEU A 27 9.110 4.578 -3.167 1.00 0.09 C ATOM 371 O LEU A 27 8.407 5.449 -3.651 1.00 0.13 O ATOM 372 CB LEU A 27 7.818 3.329 -1.439 1.00 0.11 C ATOM 373 CG LEU A 27 7.691 2.067 -2.315 1.00 0.10 C ATOM 374 CD1 LEU A 27 6.718 1.120 -1.669 1.00 0.15 C ATOM 375 CD2 LEU A 27 7.191 2.382 -3.726 1.00 0.11 C ATOM 0 H LEU A 27 7.860 5.864 -1.068 1.00 0.10 H new ATOM 0 HA LEU A 27 9.913 3.747 -1.357 1.00 0.09 H new ATOM 0 HB2 LEU A 27 7.862 3.013 -0.397 1.00 0.11 H new ATOM 0 HB3 LEU A 27 6.906 3.914 -1.556 1.00 0.11 H new ATOM 0 HG LEU A 27 8.685 1.627 -2.399 1.00 0.10 H new ATOM 0 HD11 LEU A 27 6.621 0.224 -2.282 1.00 0.15 H new ATOM 0 HD12 LEU A 27 7.081 0.845 -0.679 1.00 0.15 H new ATOM 0 HD13 LEU A 27 5.745 1.604 -1.578 1.00 0.15 H new ATOM 0 HD21 LEU A 27 7.120 1.459 -4.301 1.00 0.11 H new ATOM 0 HD22 LEU A 27 6.208 2.850 -3.668 1.00 0.11 H new ATOM 0 HD23 LEU A 27 7.888 3.062 -4.216 1.00 0.11 H new ATOM 387 N THR A 28 9.953 3.892 -3.876 1.00 0.08 N ATOM 388 CA THR A 28 10.105 4.171 -5.274 1.00 0.09 C ATOM 389 C THR A 28 10.022 2.892 -6.072 1.00 0.08 C ATOM 390 O THR A 28 10.915 2.050 -6.012 1.00 0.10 O ATOM 391 CB THR A 28 11.430 4.888 -5.564 1.00 0.14 C ATOM 392 OG1 THR A 28 11.618 5.965 -4.635 1.00 0.21 O ATOM 393 CG2 THR A 28 11.425 5.435 -6.976 1.00 0.14 C ATOM 0 H THR A 28 10.542 3.141 -3.516 1.00 0.08 H new ATOM 0 HA THR A 28 9.293 4.835 -5.572 1.00 0.09 H new ATOM 0 HB THR A 28 12.246 4.173 -5.458 1.00 0.14 H new ATOM 0 HG1 THR A 28 12.466 6.417 -4.825 1.00 0.21 H new ATOM 0 HG21 THR A 28 12.369 5.942 -7.173 1.00 0.14 H new ATOM 0 HG22 THR A 28 11.299 4.615 -7.683 1.00 0.14 H new ATOM 0 HG23 THR A 28 10.603 6.142 -7.089 1.00 0.14 H new ATOM 401 N TRP A 29 8.928 2.732 -6.787 1.00 0.08 N ATOM 402 CA TRP A 29 8.783 1.595 -7.661 1.00 0.08 C ATOM 403 C TRP A 29 9.388 1.919 -9.011 1.00 0.08 C ATOM 404 O TRP A 29 8.897 2.759 -9.745 1.00 0.12 O ATOM 405 CB TRP A 29 7.324 1.190 -7.809 1.00 0.11 C ATOM 406 CG TRP A 29 7.139 0.000 -8.695 1.00 0.11 C ATOM 407 CD1 TRP A 29 7.268 -1.315 -8.348 1.00 0.13 C ATOM 408 CD2 TRP A 29 6.800 0.019 -10.081 1.00 0.14 C ATOM 409 NE1 TRP A 29 7.037 -2.113 -9.440 1.00 0.14 N ATOM 410 CE2 TRP A 29 6.747 -1.317 -10.516 1.00 0.14 C ATOM 411 CE3 TRP A 29 6.538 1.038 -10.996 1.00 0.19 C ATOM 412 CZ2 TRP A 29 6.441 -1.656 -11.826 1.00 0.19 C ATOM 413 CZ3 TRP A 29 6.235 0.701 -12.295 1.00 0.24 C ATOM 414 CH2 TRP A 29 6.189 -0.637 -12.699 1.00 0.24 C ATOM 0 H TRP A 29 8.133 3.372 -6.778 1.00 0.08 H new ATOM 0 HA TRP A 29 9.310 0.748 -7.222 1.00 0.08 H new ATOM 0 HB2 TRP A 29 6.911 0.972 -6.824 1.00 0.11 H new ATOM 0 HB3 TRP A 29 6.758 2.029 -8.213 1.00 0.11 H new ATOM 0 HD1 TRP A 29 7.515 -1.674 -7.360 1.00 0.13 H new ATOM 0 HE1 TRP A 29 7.075 -3.132 -9.449 1.00 0.14 H new ATOM 0 HE3 TRP A 29 6.572 2.073 -10.690 1.00 0.19 H new ATOM 0 HZ2 TRP A 29 6.404 -2.688 -12.143 1.00 0.19 H new ATOM 0 HZ3 TRP A 29 6.030 1.481 -13.013 1.00 0.24 H new ATOM 0 HH2 TRP A 29 5.948 -0.870 -13.726 1.00 0.24 H new ATOM 425 N ARG A 30 10.464 1.250 -9.309 1.00 0.10 N ATOM 426 CA ARG A 30 11.200 1.469 -10.525 1.00 0.12 C ATOM 427 C ARG A 30 11.206 0.185 -11.331 1.00 0.13 C ATOM 428 O ARG A 30 11.722 -0.823 -10.872 1.00 0.15 O ATOM 429 CB ARG A 30 12.614 1.916 -10.147 1.00 0.15 C ATOM 430 CG ARG A 30 13.578 2.074 -11.302 1.00 0.21 C ATOM 431 CD ARG A 30 14.291 0.776 -11.601 1.00 0.32 C ATOM 432 NE ARG A 30 15.425 0.968 -12.507 1.00 0.33 N ATOM 433 CZ ARG A 30 16.131 -0.024 -13.049 1.00 0.47 C ATOM 434 NH1 ARG A 30 15.836 -1.287 -12.772 1.00 0.87 N ATOM 435 NH2 ARG A 30 17.143 0.248 -13.861 1.00 0.51 N ATOM 0 H ARG A 30 10.862 0.528 -8.708 1.00 0.10 H new ATOM 0 HA ARG A 30 10.744 2.245 -11.140 1.00 0.12 H new ATOM 0 HB2 ARG A 30 12.547 2.868 -9.620 1.00 0.15 H new ATOM 0 HB3 ARG A 30 13.030 1.192 -9.446 1.00 0.15 H new ATOM 0 HG2 ARG A 30 13.037 2.407 -12.188 1.00 0.21 H new ATOM 0 HG3 ARG A 30 14.309 2.847 -11.066 1.00 0.21 H new ATOM 0 HD2 ARG A 30 14.643 0.333 -10.669 1.00 0.32 H new ATOM 0 HD3 ARG A 30 13.588 0.070 -12.044 1.00 0.32 H new ATOM 0 HE ARG A 30 15.692 1.925 -12.739 1.00 0.33 H new ATOM 0 HH11 ARG A 30 15.065 -1.504 -12.141 1.00 0.87 H new ATOM 0 HH12 ARG A 30 16.380 -2.041 -13.190 1.00 0.87 H new ATOM 0 HH21 ARG A 30 17.382 1.217 -14.071 1.00 0.51 H new ATOM 0 HH22 ARG A 30 17.683 -0.512 -14.275 1.00 0.51 H new ATOM 449 N SER A 31 10.632 0.225 -12.525 1.00 0.16 N ATOM 450 CA SER A 31 10.504 -0.966 -13.349 1.00 0.18 C ATOM 451 C SER A 31 11.864 -1.603 -13.583 1.00 0.20 C ATOM 452 O SER A 31 12.876 -0.921 -13.691 1.00 0.24 O ATOM 453 CB SER A 31 9.851 -0.610 -14.682 1.00 0.28 C ATOM 454 OG SER A 31 10.540 0.453 -15.315 1.00 0.75 O ATOM 0 H SER A 31 10.247 1.071 -12.944 1.00 0.16 H new ATOM 0 HA SER A 31 9.874 -1.685 -12.826 1.00 0.18 H new ATOM 0 HB2 SER A 31 9.845 -1.484 -15.333 1.00 0.28 H new ATOM 0 HB3 SER A 31 8.811 -0.328 -14.518 1.00 0.28 H new ATOM 0 HG SER A 31 10.469 1.262 -14.766 1.00 0.75 H new ATOM 460 N THR A 32 11.853 -2.927 -13.625 1.00 0.20 N ATOM 461 CA THR A 32 13.063 -3.738 -13.735 1.00 0.26 C ATOM 462 C THR A 32 13.924 -3.324 -14.930 1.00 0.30 C ATOM 463 O THR A 32 15.147 -3.465 -14.899 1.00 0.38 O ATOM 464 CB THR A 32 12.690 -5.225 -13.860 1.00 0.31 C ATOM 465 OG1 THR A 32 11.763 -5.562 -12.822 1.00 0.31 O ATOM 466 CG2 THR A 32 13.918 -6.115 -13.746 1.00 0.39 C ATOM 0 H THR A 32 10.995 -3.478 -13.583 1.00 0.20 H new ATOM 0 HA THR A 32 13.648 -3.576 -12.829 1.00 0.26 H new ATOM 0 HB THR A 32 12.242 -5.388 -14.840 1.00 0.31 H new ATOM 0 HG1 THR A 32 11.519 -6.508 -12.896 1.00 0.31 H new ATOM 0 HG21 THR A 32 13.620 -7.159 -13.838 1.00 0.39 H new ATOM 0 HG22 THR A 32 14.622 -5.867 -14.540 1.00 0.39 H new ATOM 0 HG23 THR A 32 14.393 -5.957 -12.778 1.00 0.39 H new ATOM 474 N ASP A 33 13.279 -2.811 -15.975 1.00 0.32 N ATOM 475 CA ASP A 33 13.990 -2.329 -17.158 1.00 0.39 C ATOM 476 C ASP A 33 14.485 -0.897 -16.956 1.00 0.37 C ATOM 477 O ASP A 33 15.465 -0.467 -17.567 1.00 0.44 O ATOM 478 CB ASP A 33 13.084 -2.394 -18.387 1.00 0.52 C ATOM 479 CG ASP A 33 13.765 -1.880 -19.641 1.00 1.60 C ATOM 480 OD1 ASP A 33 14.549 -2.638 -20.247 1.00 2.07 O ATOM 481 OD2 ASP A 33 13.507 -0.720 -20.033 1.00 2.33 O ATOM 0 H ASP A 33 12.265 -2.718 -16.027 1.00 0.32 H new ATOM 0 HA ASP A 33 14.854 -2.975 -17.315 1.00 0.39 H new ATOM 0 HB2 ASP A 33 12.767 -3.425 -18.546 1.00 0.52 H new ATOM 0 HB3 ASP A 33 12.183 -1.809 -18.201 1.00 0.52 H new ATOM 486 N GLY A 34 13.806 -0.163 -16.087 1.00 0.36 N ATOM 487 CA GLY A 34 14.175 1.215 -15.828 1.00 0.37 C ATOM 488 C GLY A 34 13.373 2.191 -16.660 1.00 0.42 C ATOM 489 O GLY A 34 13.746 3.354 -16.797 1.00 0.55 O ATOM 0 H GLY A 34 13.003 -0.498 -15.554 1.00 0.36 H new ATOM 0 HA2 GLY A 34 14.027 1.436 -14.771 1.00 0.37 H new ATOM 0 HA3 GLY A 34 15.236 1.350 -16.037 1.00 0.37 H new ATOM 493 N ASP A 35 12.269 1.717 -17.211 1.00 0.45 N ATOM 494 CA ASP A 35 11.411 2.548 -18.044 1.00 0.55 C ATOM 495 C ASP A 35 10.526 3.442 -17.192 1.00 0.46 C ATOM 496 O ASP A 35 10.663 4.663 -17.199 1.00 0.74 O ATOM 497 CB ASP A 35 10.548 1.682 -18.956 1.00 0.73 C ATOM 498 CG ASP A 35 9.500 2.486 -19.699 1.00 0.89 C ATOM 499 OD1 ASP A 35 9.840 3.128 -20.710 1.00 1.13 O ATOM 500 OD2 ASP A 35 8.326 2.483 -19.268 1.00 0.92 O ATOM 0 H ASP A 35 11.943 0.757 -17.097 1.00 0.45 H new ATOM 0 HA ASP A 35 12.053 3.180 -18.658 1.00 0.55 H new ATOM 0 HB2 ASP A 35 11.186 1.170 -19.676 1.00 0.73 H new ATOM 0 HB3 ASP A 35 10.056 0.912 -18.362 1.00 0.73 H new ATOM 505 N LYS A 36 9.638 2.816 -16.445 1.00 0.34 N ATOM 506 CA LYS A 36 8.653 3.533 -15.650 1.00 0.34 C ATOM 507 C LYS A 36 9.007 3.474 -14.169 1.00 0.27 C ATOM 508 O LYS A 36 9.692 2.551 -13.713 1.00 0.34 O ATOM 509 CB LYS A 36 7.265 2.944 -15.900 1.00 0.55 C ATOM 510 CG LYS A 36 7.178 1.480 -15.561 1.00 0.92 C ATOM 511 CD LYS A 36 5.903 0.861 -16.066 1.00 0.90 C ATOM 512 CE LYS A 36 6.018 0.478 -17.528 1.00 1.25 C ATOM 513 NZ LYS A 36 5.924 1.646 -18.446 1.00 2.03 N ATOM 0 H LYS A 36 9.576 1.801 -16.370 1.00 0.34 H new ATOM 0 HA LYS A 36 8.652 4.581 -15.949 1.00 0.34 H new ATOM 0 HB2 LYS A 36 6.532 3.492 -15.309 1.00 0.55 H new ATOM 0 HB3 LYS A 36 7.000 3.085 -16.948 1.00 0.55 H new ATOM 0 HG2 LYS A 36 8.031 0.956 -15.992 1.00 0.92 H new ATOM 0 HG3 LYS A 36 7.239 1.354 -14.480 1.00 0.92 H new ATOM 0 HD2 LYS A 36 5.666 -0.023 -15.474 1.00 0.90 H new ATOM 0 HD3 LYS A 36 5.079 1.563 -15.935 1.00 0.90 H new ATOM 0 HE2 LYS A 36 6.969 -0.029 -17.691 1.00 1.25 H new ATOM 0 HE3 LYS A 36 5.231 -0.234 -17.774 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 5.432 1.364 -19.318 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 5.394 2.411 -17.982 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 6.880 1.981 -18.681 1.00 2.03 H new ATOM 527 N VAL A 37 8.525 4.464 -13.441 1.00 0.22 N ATOM 528 CA VAL A 37 8.834 4.645 -12.019 1.00 0.21 C ATOM 529 C VAL A 37 7.623 5.250 -11.302 1.00 0.22 C ATOM 530 O VAL A 37 6.949 6.128 -11.844 1.00 0.32 O ATOM 531 CB VAL A 37 10.060 5.575 -11.807 1.00 0.22 C ATOM 532 CG1 VAL A 37 10.353 5.758 -10.326 1.00 0.54 C ATOM 533 CG2 VAL A 37 11.294 5.041 -12.521 1.00 0.55 C ATOM 0 H VAL A 37 7.900 5.177 -13.817 1.00 0.22 H new ATOM 0 HA VAL A 37 9.073 3.664 -11.607 1.00 0.21 H new ATOM 0 HB VAL A 37 9.810 6.545 -12.238 1.00 0.22 H new ATOM 0 HG11 VAL A 37 11.216 6.413 -10.204 1.00 0.54 H new ATOM 0 HG12 VAL A 37 9.487 6.203 -9.836 1.00 0.54 H new ATOM 0 HG13 VAL A 37 10.567 4.789 -9.875 1.00 0.54 H new ATOM 0 HG21 VAL A 37 12.133 5.716 -12.352 1.00 0.55 H new ATOM 0 HG22 VAL A 37 11.540 4.052 -12.133 1.00 0.55 H new ATOM 0 HG23 VAL A 37 11.094 4.972 -13.590 1.00 0.55 H new ATOM 543 N HIS A 38 7.345 4.774 -10.097 1.00 0.17 N ATOM 544 CA HIS A 38 6.217 5.252 -9.314 1.00 0.19 C ATOM 545 C HIS A 38 6.614 5.392 -7.848 1.00 0.17 C ATOM 546 O HIS A 38 6.843 4.397 -7.164 1.00 0.17 O ATOM 547 CB HIS A 38 5.061 4.272 -9.442 1.00 0.25 C ATOM 548 CG HIS A 38 3.723 4.873 -9.144 1.00 0.41 C ATOM 549 ND1 HIS A 38 2.827 5.224 -10.127 1.00 0.52 N ATOM 550 CD2 HIS A 38 3.128 5.186 -7.969 1.00 0.56 C ATOM 551 CE1 HIS A 38 1.741 5.728 -9.573 1.00 0.67 C ATOM 552 NE2 HIS A 38 1.896 5.719 -8.262 1.00 0.69 N ATOM 0 H HIS A 38 7.894 4.048 -9.636 1.00 0.17 H new ATOM 0 HA HIS A 38 5.911 6.229 -9.689 1.00 0.19 H new ATOM 0 HB2 HIS A 38 5.050 3.868 -10.454 1.00 0.25 H new ATOM 0 HB3 HIS A 38 5.231 3.434 -8.766 1.00 0.25 H new ATOM 0 HD2 HIS A 38 3.545 5.043 -6.983 1.00 0.56 H new ATOM 0 HE1 HIS A 38 0.871 6.088 -10.103 1.00 0.67 H new ATOM 0 HE2 HIS A 38 1.215 6.052 -7.580 1.00 0.69 H new ATOM 561 N THR A 39 6.688 6.618 -7.363 1.00 0.18 N ATOM 562 CA THR A 39 7.134 6.866 -6.000 1.00 0.17 C ATOM 563 C THR A 39 5.943 7.066 -5.044 1.00 0.19 C ATOM 564 O THR A 39 4.958 7.718 -5.397 1.00 0.30 O ATOM 565 CB THR A 39 8.037 8.114 -5.948 1.00 0.22 C ATOM 566 OG1 THR A 39 9.072 8.008 -6.939 1.00 0.23 O ATOM 567 CG2 THR A 39 8.663 8.273 -4.572 1.00 0.23 C ATOM 0 H THR A 39 6.446 7.457 -7.890 1.00 0.18 H new ATOM 0 HA THR A 39 7.697 5.990 -5.679 1.00 0.17 H new ATOM 0 HB THR A 39 7.422 8.991 -6.153 1.00 0.22 H new ATOM 0 HG1 THR A 39 9.642 8.804 -6.903 1.00 0.23 H new ATOM 0 HG21 THR A 39 9.296 9.161 -4.560 1.00 0.23 H new ATOM 0 HG22 THR A 39 7.877 8.378 -3.824 1.00 0.23 H new ATOM 0 HG23 THR A 39 9.266 7.394 -4.343 1.00 0.23 H new ATOM 575 N VAL A 40 6.032 6.491 -3.844 1.00 0.13 N ATOM 576 CA VAL A 40 5.006 6.655 -2.816 1.00 0.18 C ATOM 577 C VAL A 40 5.535 7.446 -1.615 1.00 0.11 C ATOM 578 O VAL A 40 6.589 7.119 -1.073 1.00 0.11 O ATOM 579 CB VAL A 40 4.513 5.282 -2.313 1.00 0.30 C ATOM 580 CG1 VAL A 40 3.702 5.433 -1.043 1.00 0.47 C ATOM 581 CG2 VAL A 40 3.690 4.577 -3.367 1.00 0.66 C ATOM 0 H VAL A 40 6.814 5.901 -3.559 1.00 0.13 H new ATOM 0 HA VAL A 40 4.184 7.204 -3.275 1.00 0.18 H new ATOM 0 HB VAL A 40 5.394 4.676 -2.099 1.00 0.30 H new ATOM 0 HG11 VAL A 40 3.365 4.452 -0.708 1.00 0.47 H new ATOM 0 HG12 VAL A 40 4.319 5.889 -0.269 1.00 0.47 H new ATOM 0 HG13 VAL A 40 2.837 6.067 -1.237 1.00 0.47 H new ATOM 0 HG21 VAL A 40 3.357 3.613 -2.984 1.00 0.66 H new ATOM 0 HG22 VAL A 40 2.822 5.187 -3.619 1.00 0.66 H new ATOM 0 HG23 VAL A 40 4.297 4.423 -4.259 1.00 0.66 H new ATOM 591 N VAL A 41 4.800 8.477 -1.200 1.00 0.10 N ATOM 592 CA VAL A 41 5.125 9.210 0.016 1.00 0.10 C ATOM 593 C VAL A 41 4.394 8.589 1.196 1.00 0.08 C ATOM 594 O VAL A 41 3.179 8.720 1.332 1.00 0.09 O ATOM 595 CB VAL A 41 4.765 10.711 -0.076 1.00 0.13 C ATOM 596 CG1 VAL A 41 5.244 11.458 1.169 1.00 0.14 C ATOM 597 CG2 VAL A 41 5.352 11.325 -1.335 1.00 0.18 C ATOM 0 H VAL A 41 3.975 8.821 -1.691 1.00 0.10 H new ATOM 0 HA VAL A 41 6.204 9.142 0.152 1.00 0.10 H new ATOM 0 HB VAL A 41 3.680 10.802 -0.128 1.00 0.13 H new ATOM 0 HG11 VAL A 41 4.981 12.512 1.084 1.00 0.14 H new ATOM 0 HG12 VAL A 41 4.767 11.035 2.053 1.00 0.14 H new ATOM 0 HG13 VAL A 41 6.326 11.360 1.258 1.00 0.14 H new ATOM 0 HG21 VAL A 41 5.088 12.381 -1.382 1.00 0.18 H new ATOM 0 HG22 VAL A 41 6.437 11.223 -1.318 1.00 0.18 H new ATOM 0 HG23 VAL A 41 4.953 10.812 -2.210 1.00 0.18 H new ATOM 607 N LEU A 42 5.155 7.923 2.035 1.00 0.08 N ATOM 608 CA LEU A 42 4.641 7.233 3.219 1.00 0.09 C ATOM 609 C LEU A 42 3.799 8.145 4.111 1.00 0.10 C ATOM 610 O LEU A 42 2.897 7.678 4.798 1.00 0.12 O ATOM 611 CB LEU A 42 5.797 6.653 4.035 1.00 0.10 C ATOM 612 CG LEU A 42 6.391 5.328 3.530 1.00 0.10 C ATOM 613 CD1 LEU A 42 5.516 4.176 3.976 1.00 0.12 C ATOM 614 CD2 LEU A 42 6.554 5.310 2.014 1.00 0.10 C ATOM 0 H LEU A 42 6.165 7.838 1.921 1.00 0.08 H new ATOM 0 HA LEU A 42 3.994 6.432 2.861 1.00 0.09 H new ATOM 0 HB2 LEU A 42 6.596 7.394 4.071 1.00 0.10 H new ATOM 0 HB3 LEU A 42 5.453 6.505 5.059 1.00 0.10 H new ATOM 0 HG LEU A 42 7.387 5.225 3.961 1.00 0.10 H new ATOM 0 HD11 LEU A 42 5.939 3.238 3.617 1.00 0.12 H new ATOM 0 HD12 LEU A 42 5.465 4.158 5.065 1.00 0.12 H new ATOM 0 HD13 LEU A 42 4.513 4.302 3.568 1.00 0.12 H new ATOM 0 HD21 LEU A 42 6.977 4.354 1.705 1.00 0.10 H new ATOM 0 HD22 LEU A 42 5.581 5.446 1.542 1.00 0.10 H new ATOM 0 HD23 LEU A 42 7.221 6.117 1.710 1.00 0.10 H new ATOM 626 N SER A 43 4.086 9.440 4.103 1.00 0.12 N ATOM 627 CA SER A 43 3.327 10.374 4.923 1.00 0.15 C ATOM 628 C SER A 43 1.948 10.641 4.332 1.00 0.14 C ATOM 629 O SER A 43 0.972 10.803 5.065 1.00 0.17 O ATOM 630 CB SER A 43 4.080 11.679 5.089 1.00 0.20 C ATOM 631 OG SER A 43 5.247 11.479 5.852 1.00 1.06 O ATOM 0 H SER A 43 4.828 9.863 3.546 1.00 0.12 H new ATOM 0 HA SER A 43 3.195 9.914 5.903 1.00 0.15 H new ATOM 0 HB2 SER A 43 4.342 12.082 4.111 1.00 0.20 H new ATOM 0 HB3 SER A 43 3.441 12.415 5.576 1.00 0.20 H new ATOM 0 HG SER A 43 5.015 11.451 6.804 1.00 1.06 H new ATOM 637 N THR A 44 1.862 10.679 3.004 1.00 0.13 N ATOM 638 CA THR A 44 0.571 10.808 2.347 1.00 0.14 C ATOM 639 C THR A 44 -0.199 9.501 2.475 1.00 0.13 C ATOM 640 O THR A 44 -1.397 9.441 2.233 1.00 0.18 O ATOM 641 CB THR A 44 0.697 11.201 0.855 1.00 0.16 C ATOM 642 OG1 THR A 44 1.441 10.214 0.126 1.00 0.17 O ATOM 643 CG2 THR A 44 1.373 12.555 0.706 1.00 0.20 C ATOM 0 H THR A 44 2.661 10.623 2.372 1.00 0.13 H new ATOM 0 HA THR A 44 0.032 11.614 2.845 1.00 0.14 H new ATOM 0 HB THR A 44 -0.312 11.260 0.446 1.00 0.16 H new ATOM 0 HG1 THR A 44 1.953 9.661 0.753 1.00 0.17 H new ATOM 0 HG21 THR A 44 1.450 12.809 -0.351 1.00 0.20 H new ATOM 0 HG22 THR A 44 0.784 13.314 1.220 1.00 0.20 H new ATOM 0 HG23 THR A 44 2.371 12.514 1.143 1.00 0.20 H new ATOM 651 N ILE A 45 0.518 8.456 2.863 1.00 0.11 N ATOM 652 CA ILE A 45 -0.061 7.152 3.108 1.00 0.12 C ATOM 653 C ILE A 45 -0.675 7.068 4.506 1.00 0.16 C ATOM 654 O ILE A 45 -0.001 7.285 5.511 1.00 0.23 O ATOM 655 CB ILE A 45 1.012 6.066 2.962 1.00 0.12 C ATOM 656 CG1 ILE A 45 1.608 6.084 1.551 1.00 0.10 C ATOM 657 CG2 ILE A 45 0.436 4.707 3.285 1.00 0.16 C ATOM 658 CD1 ILE A 45 0.608 5.793 0.440 1.00 0.10 C ATOM 0 H ILE A 45 1.526 8.494 3.017 1.00 0.11 H new ATOM 0 HA ILE A 45 -0.851 6.996 2.373 1.00 0.12 H new ATOM 0 HB ILE A 45 1.813 6.274 3.671 1.00 0.12 H new ATOM 0 HG12 ILE A 45 2.057 7.061 1.372 1.00 0.10 H new ATOM 0 HG13 ILE A 45 2.412 5.350 1.500 1.00 0.10 H new ATOM 0 HG21 ILE A 45 1.211 3.948 3.176 1.00 0.16 H new ATOM 0 HG22 ILE A 45 0.066 4.703 4.310 1.00 0.16 H new ATOM 0 HG23 ILE A 45 -0.385 4.488 2.602 1.00 0.16 H new ATOM 0 HD11 ILE A 45 1.115 5.826 -0.524 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.176 4.803 0.589 1.00 0.10 H new ATOM 0 HD13 ILE A 45 -0.185 6.541 0.459 1.00 0.10 H new ATOM 670 N ASP A 46 -1.966 6.784 4.550 1.00 0.16 N ATOM 671 CA ASP A 46 -2.687 6.591 5.800 1.00 0.22 C ATOM 672 C ASP A 46 -2.417 5.199 6.377 1.00 0.22 C ATOM 673 O ASP A 46 -2.134 5.052 7.565 1.00 0.28 O ATOM 674 CB ASP A 46 -4.183 6.785 5.554 1.00 0.28 C ATOM 675 CG ASP A 46 -5.038 6.488 6.771 1.00 0.46 C ATOM 676 OD1 ASP A 46 -4.689 6.941 7.881 1.00 0.70 O ATOM 677 OD2 ASP A 46 -6.077 5.812 6.618 1.00 0.61 O ATOM 0 H ASP A 46 -2.547 6.680 3.718 1.00 0.16 H new ATOM 0 HA ASP A 46 -2.340 7.326 6.527 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -4.361 7.812 5.236 1.00 0.28 H new ATOM 0 HB3 ASP A 46 -4.495 6.139 4.734 1.00 0.28 H new ATOM 682 N LYS A 47 -2.492 4.183 5.518 1.00 0.21 N ATOM 683 CA LYS A 47 -2.292 2.795 5.938 1.00 0.27 C ATOM 684 C LYS A 47 -1.422 2.065 4.924 1.00 0.18 C ATOM 685 O LYS A 47 -1.436 2.392 3.745 1.00 0.20 O ATOM 686 CB LYS A 47 -3.630 2.037 6.022 1.00 0.41 C ATOM 687 CG LYS A 47 -4.763 2.789 6.702 1.00 1.07 C ATOM 688 CD LYS A 47 -4.588 2.863 8.206 1.00 1.01 C ATOM 689 CE LYS A 47 -5.782 3.539 8.858 1.00 1.60 C ATOM 690 NZ LYS A 47 -5.661 3.592 10.336 1.00 1.95 N ATOM 0 H LYS A 47 -2.690 4.295 4.524 1.00 0.21 H new ATOM 0 HA LYS A 47 -1.818 2.821 6.919 1.00 0.27 H new ATOM 0 HB2 LYS A 47 -3.945 1.776 5.012 1.00 0.41 H new ATOM 0 HB3 LYS A 47 -3.465 1.101 6.556 1.00 0.41 H new ATOM 0 HG2 LYS A 47 -4.820 3.799 6.296 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -5.709 2.299 6.473 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -4.467 1.859 8.612 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -3.678 3.414 8.444 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -5.882 4.552 8.467 1.00 1.60 H new ATOM 0 HE3 LYS A 47 -6.692 3.003 8.589 1.00 1.60 H new ATOM 0 HZ1 LYS A 47 -6.498 4.062 10.736 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -5.592 2.625 10.714 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -4.807 4.126 10.595 1.00 1.95 H new ATOM 704 N LEU A 48 -0.669 1.082 5.369 1.00 0.14 N ATOM 705 CA LEU A 48 -0.057 0.143 4.451 1.00 0.10 C ATOM 706 C LEU A 48 -0.667 -1.228 4.657 1.00 0.11 C ATOM 707 O LEU A 48 -0.980 -1.628 5.778 1.00 0.14 O ATOM 708 CB LEU A 48 1.453 0.060 4.627 1.00 0.10 C ATOM 709 CG LEU A 48 2.084 -1.213 4.074 1.00 0.11 C ATOM 710 CD1 LEU A 48 2.150 -1.188 2.566 1.00 0.12 C ATOM 711 CD2 LEU A 48 3.459 -1.408 4.644 1.00 0.13 C ATOM 0 H LEU A 48 -0.466 0.912 6.354 1.00 0.14 H new ATOM 0 HA LEU A 48 -0.248 0.499 3.439 1.00 0.10 H new ATOM 0 HB2 LEU A 48 1.911 0.920 4.138 1.00 0.10 H new ATOM 0 HB3 LEU A 48 1.687 0.135 5.689 1.00 0.10 H new ATOM 0 HG LEU A 48 1.451 -2.049 4.371 1.00 0.11 H new ATOM 0 HD11 LEU A 48 2.605 -2.111 2.206 1.00 0.12 H new ATOM 0 HD12 LEU A 48 1.143 -1.098 2.159 1.00 0.12 H new ATOM 0 HD13 LEU A 48 2.750 -0.337 2.242 1.00 0.12 H new ATOM 0 HD21 LEU A 48 3.895 -2.321 4.239 1.00 0.13 H new ATOM 0 HD22 LEU A 48 4.087 -0.557 4.379 1.00 0.13 H new ATOM 0 HD23 LEU A 48 3.395 -1.487 5.729 1.00 0.13 H new ATOM 723 N GLN A 49 -0.809 -1.938 3.569 1.00 0.10 N ATOM 724 CA GLN A 49 -1.402 -3.257 3.568 1.00 0.11 C ATOM 725 C GLN A 49 -0.407 -4.258 3.024 1.00 0.10 C ATOM 726 O GLN A 49 0.484 -3.907 2.252 1.00 0.12 O ATOM 727 CB GLN A 49 -2.651 -3.288 2.698 1.00 0.15 C ATOM 728 CG GLN A 49 -3.713 -2.273 3.093 1.00 0.27 C ATOM 729 CD GLN A 49 -4.378 -2.583 4.423 1.00 0.86 C ATOM 730 OE1 GLN A 49 -4.542 -3.862 4.729 1.00 1.49 O flip ATOM 731 NE2 GLN A 49 -4.769 -1.677 5.156 1.00 1.03 N flip ATOM 0 H GLN A 49 -0.514 -1.617 2.647 1.00 0.10 H new ATOM 0 HA GLN A 49 -1.675 -3.510 4.593 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -2.363 -3.110 1.662 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -3.085 -4.287 2.741 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -3.258 -1.284 3.144 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -4.475 -2.234 2.315 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -4.624 -0.704 4.886 1.00 1.03 H new ATOM 0 HE22 GLN A 49 -5.238 -1.898 6.034 1.00 1.03 H new ATOM 740 N ALA A 50 -0.572 -5.493 3.425 1.00 0.11 N ATOM 741 CA ALA A 50 0.288 -6.576 2.985 1.00 0.13 C ATOM 742 C ALA A 50 -0.407 -7.909 3.266 1.00 0.18 C ATOM 743 O ALA A 50 -1.089 -8.045 4.280 1.00 0.25 O ATOM 744 CB ALA A 50 1.634 -6.485 3.697 1.00 0.16 C ATOM 0 H ALA A 50 -1.308 -5.783 4.069 1.00 0.11 H new ATOM 0 HA ALA A 50 0.473 -6.502 1.913 1.00 0.13 H new ATOM 0 HB1 ALA A 50 2.277 -7.300 3.364 1.00 0.16 H new ATOM 0 HB2 ALA A 50 2.106 -5.531 3.462 1.00 0.16 H new ATOM 0 HB3 ALA A 50 1.482 -6.559 4.774 1.00 0.16 H new ATOM 750 N THR A 51 -0.269 -8.865 2.353 1.00 0.17 N ATOM 751 CA THR A 51 -0.936 -10.164 2.477 1.00 0.22 C ATOM 752 C THR A 51 -0.583 -10.866 3.782 1.00 0.33 C ATOM 753 O THR A 51 0.588 -11.053 4.111 1.00 0.37 O ATOM 754 CB THR A 51 -0.555 -11.107 1.326 1.00 0.21 C ATOM 755 OG1 THR A 51 0.866 -11.200 1.219 1.00 0.25 O ATOM 756 CG2 THR A 51 -1.123 -10.648 0.000 1.00 0.20 C ATOM 0 H THR A 51 0.301 -8.767 1.513 1.00 0.17 H new ATOM 0 HA THR A 51 -2.004 -9.949 2.451 1.00 0.22 H new ATOM 0 HB THR A 51 -0.981 -12.083 1.557 1.00 0.21 H new ATOM 0 HG1 THR A 51 1.283 -10.578 1.851 1.00 0.25 H new ATOM 0 HG21 THR A 51 -0.827 -11.346 -0.784 1.00 0.20 H new ATOM 0 HG22 THR A 51 -2.211 -10.613 0.063 1.00 0.20 H new ATOM 0 HG23 THR A 51 -0.741 -9.655 -0.235 1.00 0.20 H new ATOM 764 N PRO A 52 -1.613 -11.247 4.531 1.00 0.41 N ATOM 765 CA PRO A 52 -1.488 -12.063 5.738 1.00 0.54 C ATOM 766 C PRO A 52 -1.192 -13.517 5.395 1.00 0.61 C ATOM 767 O PRO A 52 -1.323 -13.920 4.239 1.00 0.58 O ATOM 768 CB PRO A 52 -2.874 -11.942 6.372 1.00 0.64 C ATOM 769 CG PRO A 52 -3.778 -11.733 5.217 1.00 0.60 C ATOM 770 CD PRO A 52 -3.010 -10.892 4.253 1.00 0.45 C ATOM 0 HA PRO A 52 -0.674 -11.739 6.387 1.00 0.54 H new ATOM 0 HB2 PRO A 52 -3.138 -12.841 6.929 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -2.921 -11.108 7.072 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -4.064 -12.683 4.766 1.00 0.60 H new ATOM 0 HG3 PRO A 52 -4.698 -11.236 5.524 1.00 0.60 H new ATOM 0 HD2 PRO A 52 -3.283 -11.112 3.221 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -3.194 -9.829 4.411 1.00 0.45 H new ATOM 778 N ALA A 53 -0.784 -14.297 6.385 1.00 0.73 N ATOM 779 CA ALA A 53 -0.573 -15.729 6.190 1.00 0.86 C ATOM 780 C ALA A 53 -1.856 -16.394 5.691 1.00 0.91 C ATOM 781 O ALA A 53 -1.817 -17.402 4.985 1.00 1.00 O ATOM 782 CB ALA A 53 -0.105 -16.378 7.484 1.00 1.02 C ATOM 0 H ALA A 53 -0.592 -13.966 7.331 1.00 0.73 H new ATOM 0 HA ALA A 53 0.202 -15.865 5.436 1.00 0.86 H new ATOM 0 HB1 ALA A 53 0.048 -17.445 7.321 1.00 1.02 H new ATOM 0 HB2 ALA A 53 0.833 -15.922 7.802 1.00 1.02 H new ATOM 0 HB3 ALA A 53 -0.859 -16.233 8.257 1.00 1.02 H new ATOM 788 N SER A 54 -2.991 -15.803 6.054 1.00 0.89 N ATOM 789 CA SER A 54 -4.295 -16.287 5.625 1.00 0.98 C ATOM 790 C SER A 54 -4.504 -16.065 4.126 1.00 0.88 C ATOM 791 O SER A 54 -5.287 -16.767 3.485 1.00 0.97 O ATOM 792 CB SER A 54 -5.387 -15.572 6.415 1.00 1.07 C ATOM 793 OG SER A 54 -5.215 -15.763 7.809 1.00 1.58 O ATOM 0 H SER A 54 -3.030 -14.978 6.652 1.00 0.89 H new ATOM 0 HA SER A 54 -4.344 -17.359 5.815 1.00 0.98 H new ATOM 0 HB2 SER A 54 -5.368 -14.507 6.186 1.00 1.07 H new ATOM 0 HB3 SER A 54 -6.365 -15.946 6.111 1.00 1.07 H new ATOM 0 HG SER A 54 -5.926 -15.294 8.294 1.00 1.58 H new ATOM 799 N SER A 55 -3.801 -15.086 3.578 1.00 0.71 N ATOM 800 CA SER A 55 -3.861 -14.798 2.152 1.00 0.61 C ATOM 801 C SER A 55 -3.043 -15.830 1.384 1.00 0.63 C ATOM 802 O SER A 55 -2.042 -16.343 1.893 1.00 0.71 O ATOM 803 CB SER A 55 -3.326 -13.389 1.869 1.00 0.55 C ATOM 804 OG SER A 55 -3.408 -13.072 0.489 1.00 0.54 O ATOM 0 H SER A 55 -3.178 -14.473 4.103 1.00 0.71 H new ATOM 0 HA SER A 55 -4.900 -14.847 1.826 1.00 0.61 H new ATOM 0 HB2 SER A 55 -3.895 -12.660 2.446 1.00 0.55 H new ATOM 0 HB3 SER A 55 -2.290 -13.319 2.199 1.00 0.55 H new ATOM 0 HG SER A 55 -3.841 -12.200 0.379 1.00 0.54 H new ATOM 810 N GLU A 56 -3.469 -16.130 0.165 1.00 0.61 N ATOM 811 CA GLU A 56 -2.795 -17.118 -0.661 1.00 0.69 C ATOM 812 C GLU A 56 -1.732 -16.449 -1.512 1.00 0.60 C ATOM 813 O GLU A 56 -1.020 -17.099 -2.278 1.00 0.70 O ATOM 814 CB GLU A 56 -3.791 -17.820 -1.569 1.00 0.80 C ATOM 815 CG GLU A 56 -5.122 -18.120 -0.906 1.00 1.19 C ATOM 816 CD GLU A 56 -6.139 -17.011 -1.108 1.00 2.20 C ATOM 817 OE1 GLU A 56 -6.173 -16.065 -0.295 1.00 2.66 O ATOM 818 OE2 GLU A 56 -6.904 -17.076 -2.095 1.00 2.89 O ATOM 0 H GLU A 56 -4.283 -15.700 -0.274 1.00 0.61 H new ATOM 0 HA GLU A 56 -2.329 -17.852 -0.004 1.00 0.69 H new ATOM 0 HB2 GLU A 56 -3.966 -17.200 -2.448 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -3.352 -18.754 -1.920 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -5.521 -19.051 -1.307 1.00 1.19 H new ATOM 0 HG3 GLU A 56 -4.965 -18.274 0.162 1.00 1.19 H new ATOM 825 N LYS A 57 -1.652 -15.138 -1.383 1.00 0.46 N ATOM 826 CA LYS A 57 -0.774 -14.334 -2.212 1.00 0.39 C ATOM 827 C LYS A 57 0.309 -13.673 -1.372 1.00 0.32 C ATOM 828 O LYS A 57 0.362 -13.846 -0.153 1.00 0.39 O ATOM 829 CB LYS A 57 -1.593 -13.251 -2.912 1.00 0.41 C ATOM 830 CG LYS A 57 -2.968 -13.719 -3.367 1.00 0.56 C ATOM 831 CD LYS A 57 -2.883 -14.789 -4.432 1.00 0.89 C ATOM 832 CE LYS A 57 -2.201 -14.281 -5.688 1.00 1.84 C ATOM 833 NZ LYS A 57 -2.127 -15.321 -6.745 1.00 2.59 N ATOM 0 H LYS A 57 -2.192 -14.602 -0.703 1.00 0.46 H new ATOM 0 HA LYS A 57 -0.300 -14.985 -2.947 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -1.713 -12.405 -2.235 1.00 0.41 H new ATOM 0 HB3 LYS A 57 -1.037 -12.891 -3.778 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -3.521 -14.104 -2.510 1.00 0.56 H new ATOM 0 HG3 LYS A 57 -3.530 -12.869 -3.753 1.00 0.56 H new ATOM 0 HD2 LYS A 57 -2.335 -15.647 -4.042 1.00 0.89 H new ATOM 0 HD3 LYS A 57 -3.886 -15.137 -4.679 1.00 0.89 H new ATOM 0 HE2 LYS A 57 -2.743 -13.416 -6.069 1.00 1.84 H new ATOM 0 HE3 LYS A 57 -1.194 -13.943 -5.442 1.00 1.84 H new ATOM 0 HZ1 LYS A 57 -1.654 -14.930 -7.584 1.00 2.59 H new ATOM 0 HZ2 LYS A 57 -1.587 -16.137 -6.392 1.00 2.59 H new ATOM 0 HZ3 LYS A 57 -3.088 -15.626 -7.000 1.00 2.59 H new ATOM 847 N MET A 58 1.176 -12.932 -2.043 1.00 0.27 N ATOM 848 CA MET A 58 2.118 -12.050 -1.379 1.00 0.25 C ATOM 849 C MET A 58 2.066 -10.700 -2.072 1.00 0.23 C ATOM 850 O MET A 58 2.569 -10.557 -3.180 1.00 0.29 O ATOM 851 CB MET A 58 3.563 -12.571 -1.455 1.00 0.29 C ATOM 852 CG MET A 58 3.745 -14.020 -1.916 1.00 0.42 C ATOM 853 SD MET A 58 3.178 -14.326 -3.603 1.00 1.78 S ATOM 854 CE MET A 58 3.430 -16.096 -3.722 1.00 1.53 C ATOM 0 H MET A 58 1.245 -12.926 -3.061 1.00 0.27 H new ATOM 0 HA MET A 58 1.838 -11.987 -0.327 1.00 0.25 H new ATOM 0 HB2 MET A 58 4.123 -11.925 -2.131 1.00 0.29 H new ATOM 0 HB3 MET A 58 4.015 -12.468 -0.468 1.00 0.29 H new ATOM 0 HG2 MET A 58 4.800 -14.284 -1.844 1.00 0.42 H new ATOM 0 HG3 MET A 58 3.204 -14.678 -1.236 1.00 0.42 H new ATOM 0 HE1 MET A 58 3.176 -16.433 -4.727 1.00 1.53 H new ATOM 0 HE2 MET A 58 4.474 -16.330 -3.514 1.00 1.53 H new ATOM 0 HE3 MET A 58 2.793 -16.604 -2.998 1.00 1.53 H new ATOM 864 N MET A 59 1.489 -9.702 -1.422 1.00 0.20 N ATOM 865 CA MET A 59 1.330 -8.392 -2.037 1.00 0.21 C ATOM 866 C MET A 59 1.244 -7.296 -0.984 1.00 0.18 C ATOM 867 O MET A 59 0.803 -7.531 0.140 1.00 0.26 O ATOM 868 CB MET A 59 0.076 -8.335 -2.928 1.00 0.27 C ATOM 869 CG MET A 59 0.113 -9.258 -4.141 1.00 0.64 C ATOM 870 SD MET A 59 -1.187 -8.914 -5.348 1.00 1.30 S ATOM 871 CE MET A 59 -2.641 -9.490 -4.478 1.00 0.62 C ATOM 0 H MET A 59 1.124 -9.772 -0.472 1.00 0.20 H new ATOM 0 HA MET A 59 2.212 -8.227 -2.656 1.00 0.21 H new ATOM 0 HB2 MET A 59 -0.795 -8.588 -2.323 1.00 0.27 H new ATOM 0 HB3 MET A 59 -0.062 -7.310 -3.273 1.00 0.27 H new ATOM 0 HG2 MET A 59 1.084 -9.166 -4.628 1.00 0.64 H new ATOM 0 HG3 MET A 59 0.022 -10.291 -3.805 1.00 0.64 H new ATOM 0 HE1 MET A 59 -3.177 -10.207 -5.100 1.00 0.62 H new ATOM 0 HE2 MET A 59 -2.341 -9.970 -3.546 1.00 0.62 H new ATOM 0 HE3 MET A 59 -3.292 -8.644 -4.257 1.00 0.62 H new ATOM 881 N LEU A 60 1.669 -6.108 -1.372 1.00 0.12 N ATOM 882 CA LEU A 60 1.570 -4.915 -0.541 1.00 0.10 C ATOM 883 C LEU A 60 0.568 -3.932 -1.145 1.00 0.10 C ATOM 884 O LEU A 60 0.291 -3.985 -2.343 1.00 0.13 O ATOM 885 CB LEU A 60 2.922 -4.216 -0.453 1.00 0.13 C ATOM 886 CG LEU A 60 3.637 -4.338 0.883 1.00 0.11 C ATOM 887 CD1 LEU A 60 4.384 -5.645 0.994 1.00 0.12 C ATOM 888 CD2 LEU A 60 4.591 -3.194 1.068 1.00 0.14 C ATOM 0 H LEU A 60 2.098 -5.939 -2.282 1.00 0.12 H new ATOM 0 HA LEU A 60 1.243 -5.225 0.452 1.00 0.10 H new ATOM 0 HB2 LEU A 60 3.571 -4.619 -1.231 1.00 0.13 H new ATOM 0 HB3 LEU A 60 2.779 -3.158 -0.674 1.00 0.13 H new ATOM 0 HG LEU A 60 2.879 -4.311 1.666 1.00 0.11 H new ATOM 0 HD11 LEU A 60 4.883 -5.698 1.962 1.00 0.12 H new ATOM 0 HD12 LEU A 60 3.682 -6.474 0.902 1.00 0.12 H new ATOM 0 HD13 LEU A 60 5.127 -5.708 0.199 1.00 0.12 H new ATOM 0 HD21 LEU A 60 5.096 -3.293 2.029 1.00 0.14 H new ATOM 0 HD22 LEU A 60 5.330 -3.203 0.267 1.00 0.14 H new ATOM 0 HD23 LEU A 60 4.041 -2.254 1.043 1.00 0.14 H new ATOM 900 N ARG A 61 0.036 -3.031 -0.327 1.00 0.10 N ATOM 901 CA ARG A 61 -0.772 -1.927 -0.836 1.00 0.11 C ATOM 902 C ARG A 61 -0.723 -0.731 0.111 1.00 0.11 C ATOM 903 O ARG A 61 -1.204 -0.790 1.233 1.00 0.11 O ATOM 904 CB ARG A 61 -2.220 -2.351 -1.091 1.00 0.16 C ATOM 905 CG ARG A 61 -3.019 -1.323 -1.879 1.00 0.32 C ATOM 906 CD ARG A 61 -4.446 -1.784 -2.105 1.00 0.56 C ATOM 907 NE ARG A 61 -5.068 -1.125 -3.254 1.00 1.35 N ATOM 908 CZ ARG A 61 -6.365 -1.214 -3.555 1.00 1.67 C ATOM 909 NH1 ARG A 61 -7.189 -1.896 -2.772 1.00 1.46 N ATOM 910 NH2 ARG A 61 -6.836 -0.609 -4.636 1.00 2.72 N ATOM 0 H ARG A 61 0.148 -3.042 0.687 1.00 0.10 H new ATOM 0 HA ARG A 61 -0.342 -1.629 -1.792 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -2.224 -3.297 -1.633 1.00 0.16 H new ATOM 0 HB3 ARG A 61 -2.713 -2.529 -0.135 1.00 0.16 H new ATOM 0 HG2 ARG A 61 -3.023 -0.374 -1.343 1.00 0.32 H new ATOM 0 HG3 ARG A 61 -2.537 -1.144 -2.840 1.00 0.32 H new ATOM 0 HD2 ARG A 61 -4.457 -2.863 -2.258 1.00 0.56 H new ATOM 0 HD3 ARG A 61 -5.036 -1.583 -1.211 1.00 0.56 H new ATOM 0 HE ARG A 61 -4.473 -0.563 -3.863 1.00 1.35 H new ATOM 0 HH11 ARG A 61 -6.833 -2.356 -1.934 1.00 1.46 H new ATOM 0 HH12 ARG A 61 -8.179 -1.961 -3.007 1.00 1.46 H new ATOM 0 HH21 ARG A 61 -6.207 -0.076 -5.237 1.00 2.72 H new ATOM 0 HH22 ARG A 61 -7.827 -0.676 -4.867 1.00 2.72 H new ATOM 924 N LEU A 62 -0.139 0.353 -0.365 1.00 0.11 N ATOM 925 CA LEU A 62 0.011 1.571 0.416 1.00 0.11 C ATOM 926 C LEU A 62 -1.174 2.514 0.174 1.00 0.15 C ATOM 927 O LEU A 62 -1.346 3.044 -0.921 1.00 0.19 O ATOM 928 CB LEU A 62 1.354 2.226 0.060 1.00 0.12 C ATOM 929 CG LEU A 62 2.528 1.702 0.897 1.00 0.20 C ATOM 930 CD1 LEU A 62 3.865 1.926 0.217 1.00 0.90 C ATOM 931 CD2 LEU A 62 2.542 2.357 2.259 1.00 0.86 C ATOM 0 H LEU A 62 0.247 0.416 -1.307 1.00 0.11 H new ATOM 0 HA LEU A 62 0.013 1.337 1.481 1.00 0.11 H new ATOM 0 HB2 LEU A 62 1.565 2.055 -0.996 1.00 0.12 H new ATOM 0 HB3 LEU A 62 1.272 3.304 0.198 1.00 0.12 H new ATOM 0 HG LEU A 62 2.382 0.627 1.005 1.00 0.20 H new ATOM 0 HD11 LEU A 62 4.664 1.538 0.849 1.00 0.90 H new ATOM 0 HD12 LEU A 62 3.877 1.408 -0.742 1.00 0.90 H new ATOM 0 HD13 LEU A 62 4.016 2.993 0.055 1.00 0.90 H new ATOM 0 HD21 LEU A 62 3.381 1.973 2.839 1.00 0.86 H new ATOM 0 HD22 LEU A 62 2.644 3.436 2.143 1.00 0.86 H new ATOM 0 HD23 LEU A 62 1.610 2.135 2.779 1.00 0.86 H new ATOM 943 N ILE A 63 -1.978 2.710 1.211 1.00 0.17 N ATOM 944 CA ILE A 63 -3.220 3.485 1.137 1.00 0.23 C ATOM 945 C ILE A 63 -2.935 4.962 1.364 1.00 0.21 C ATOM 946 O ILE A 63 -2.503 5.345 2.443 1.00 0.25 O ATOM 947 CB ILE A 63 -4.214 3.057 2.249 1.00 0.30 C ATOM 948 CG1 ILE A 63 -4.137 1.550 2.525 1.00 0.30 C ATOM 949 CG2 ILE A 63 -5.641 3.471 1.899 1.00 0.40 C ATOM 950 CD1 ILE A 63 -4.510 0.683 1.356 1.00 0.33 C ATOM 0 H ILE A 63 -1.788 2.333 2.140 1.00 0.17 H new ATOM 0 HA ILE A 63 -3.645 3.306 0.149 1.00 0.23 H new ATOM 0 HB ILE A 63 -3.923 3.576 3.162 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -3.122 1.302 2.836 1.00 0.30 H new ATOM 0 HG13 ILE A 63 -4.794 1.313 3.362 1.00 0.30 H new ATOM 0 HG21 ILE A 63 -6.316 3.158 2.696 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -5.689 4.554 1.787 1.00 0.40 H new ATOM 0 HG23 ILE A 63 -5.939 2.996 0.964 1.00 0.40 H new ATOM 0 HD11 ILE A 63 -4.427 -0.366 1.640 1.00 0.33 H new ATOM 0 HD12 ILE A 63 -5.536 0.898 1.056 1.00 0.33 H new ATOM 0 HD13 ILE A 63 -3.838 0.887 0.523 1.00 0.33 H new ATOM 962 N GLY A 64 -3.189 5.791 0.369 1.00 0.27 N ATOM 963 CA GLY A 64 -2.979 7.214 0.536 1.00 0.30 C ATOM 964 C GLY A 64 -4.183 7.882 1.162 1.00 0.35 C ATOM 965 O GLY A 64 -5.317 7.476 0.909 1.00 0.48 O ATOM 0 H GLY A 64 -3.535 5.509 -0.548 1.00 0.27 H new ATOM 0 HA2 GLY A 64 -2.102 7.383 1.161 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -2.772 7.669 -0.433 1.00 0.30 H new ATOM 969 N LYS A 65 -3.941 8.891 1.990 1.00 0.30 N ATOM 970 CA LYS A 65 -5.017 9.622 2.643 1.00 0.33 C ATOM 971 C LYS A 65 -5.949 10.237 1.616 1.00 0.38 C ATOM 972 O LYS A 65 -5.505 10.839 0.631 1.00 0.41 O ATOM 973 CB LYS A 65 -4.482 10.730 3.553 1.00 0.34 C ATOM 974 CG LYS A 65 -4.148 10.286 4.972 1.00 0.36 C ATOM 975 CD LYS A 65 -2.742 9.751 5.108 1.00 0.40 C ATOM 976 CE LYS A 65 -2.254 9.918 6.537 1.00 0.43 C ATOM 977 NZ LYS A 65 -0.831 9.533 6.704 1.00 1.15 N ATOM 0 H LYS A 65 -3.005 9.222 2.225 1.00 0.30 H new ATOM 0 HA LYS A 65 -5.562 8.902 3.253 1.00 0.33 H new ATOM 0 HB2 LYS A 65 -3.586 11.152 3.099 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -5.221 11.529 3.602 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -4.277 11.129 5.650 1.00 0.36 H new ATOM 0 HG3 LYS A 65 -4.855 9.517 5.282 1.00 0.36 H new ATOM 0 HD2 LYS A 65 -2.717 8.698 4.828 1.00 0.40 H new ATOM 0 HD3 LYS A 65 -2.077 10.278 4.425 1.00 0.40 H new ATOM 0 HE2 LYS A 65 -2.384 10.956 6.842 1.00 0.43 H new ATOM 0 HE3 LYS A 65 -2.871 9.312 7.201 1.00 0.43 H new ATOM 0 HZ1 LYS A 65 -0.582 9.552 7.714 1.00 1.15 H new ATOM 0 HZ2 LYS A 65 -0.685 8.574 6.329 1.00 1.15 H new ATOM 0 HZ3 LYS A 65 -0.227 10.203 6.186 1.00 1.15 H new ATOM 991 N VAL A 66 -7.239 10.091 1.859 1.00 0.42 N ATOM 992 CA VAL A 66 -8.245 10.613 0.959 1.00 0.51 C ATOM 993 C VAL A 66 -8.340 12.123 1.094 1.00 0.57 C ATOM 994 O VAL A 66 -8.064 12.689 2.154 1.00 0.61 O ATOM 995 CB VAL A 66 -9.620 9.956 1.211 1.00 0.57 C ATOM 996 CG1 VAL A 66 -10.089 10.192 2.640 1.00 0.58 C ATOM 997 CG2 VAL A 66 -10.660 10.449 0.214 1.00 0.69 C ATOM 0 H VAL A 66 -7.614 9.612 2.678 1.00 0.42 H new ATOM 0 HA VAL A 66 -7.945 10.370 -0.060 1.00 0.51 H new ATOM 0 HB VAL A 66 -9.500 8.882 1.068 1.00 0.57 H new ATOM 0 HG11 VAL A 66 -11.059 9.718 2.787 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.367 9.764 3.335 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -10.177 11.263 2.822 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -11.617 9.968 0.418 1.00 0.69 H new ATOM 0 HG22 VAL A 66 -10.770 11.529 0.307 1.00 0.69 H new ATOM 0 HG23 VAL A 66 -10.339 10.203 -0.798 1.00 0.69 H new ATOM 1007 N ASP A 67 -8.720 12.764 0.008 1.00 0.73 N ATOM 1008 CA ASP A 67 -8.738 14.214 -0.062 1.00 0.89 C ATOM 1009 C ASP A 67 -9.986 14.776 0.606 1.00 0.98 C ATOM 1010 O ASP A 67 -11.045 14.898 -0.013 1.00 1.33 O ATOM 1011 CB ASP A 67 -8.655 14.666 -1.516 1.00 1.25 C ATOM 1012 CG ASP A 67 -8.491 16.161 -1.648 1.00 1.91 C ATOM 1013 OD1 ASP A 67 -7.354 16.653 -1.491 1.00 2.56 O ATOM 1014 OD2 ASP A 67 -9.493 16.852 -1.930 1.00 2.29 O ATOM 0 H ASP A 67 -9.024 12.299 -0.848 1.00 0.73 H new ATOM 0 HA ASP A 67 -7.871 14.598 0.476 1.00 0.89 H new ATOM 0 HB2 ASP A 67 -7.816 14.167 -2.001 1.00 1.25 H new ATOM 0 HB3 ASP A 67 -9.558 14.355 -2.042 1.00 1.25 H new ATOM 1019 N GLU A 68 -9.854 15.081 1.888 1.00 1.24 N ATOM 1020 CA GLU A 68 -10.950 15.635 2.674 1.00 1.65 C ATOM 1021 C GLU A 68 -11.038 17.153 2.542 1.00 1.54 C ATOM 1022 O GLU A 68 -11.977 17.766 3.048 1.00 1.96 O ATOM 1023 CB GLU A 68 -10.782 15.259 4.142 1.00 2.31 C ATOM 1024 CG GLU A 68 -11.055 13.798 4.438 1.00 2.77 C ATOM 1025 CD GLU A 68 -12.509 13.431 4.243 1.00 3.14 C ATOM 1026 OE1 GLU A 68 -13.358 13.916 5.021 1.00 3.79 O ATOM 1027 OE2 GLU A 68 -12.819 12.667 3.309 1.00 3.27 O ATOM 0 H GLU A 68 -8.989 14.953 2.413 1.00 1.24 H new ATOM 0 HA GLU A 68 -11.876 15.211 2.286 1.00 1.65 H new ATOM 0 HB2 GLU A 68 -9.766 15.499 4.454 1.00 2.31 H new ATOM 0 HB3 GLU A 68 -11.453 15.873 4.743 1.00 2.31 H new ATOM 0 HG2 GLU A 68 -10.437 13.177 3.790 1.00 2.77 H new ATOM 0 HG3 GLU A 68 -10.762 13.577 5.464 1.00 2.77 H new ATOM 1034 N SER A 69 -10.069 17.758 1.869 1.00 1.50 N ATOM 1035 CA SER A 69 -10.006 19.210 1.784 1.00 2.01 C ATOM 1036 C SER A 69 -11.151 19.773 0.947 1.00 2.42 C ATOM 1037 O SER A 69 -11.719 20.814 1.282 1.00 2.92 O ATOM 1038 CB SER A 69 -8.657 19.640 1.215 1.00 2.57 C ATOM 1039 OG SER A 69 -8.294 18.835 0.111 1.00 3.05 O ATOM 0 H SER A 69 -9.321 17.270 1.377 1.00 1.50 H new ATOM 0 HA SER A 69 -10.111 19.614 2.791 1.00 2.01 H new ATOM 0 HB2 SER A 69 -8.704 20.685 0.908 1.00 2.57 H new ATOM 0 HB3 SER A 69 -7.892 19.569 1.989 1.00 2.57 H new ATOM 0 HG SER A 69 -7.427 19.130 -0.238 1.00 3.05 H new ATOM 1045 N LYS A 70 -11.499 19.085 -0.132 1.00 2.48 N ATOM 1046 CA LYS A 70 -12.653 19.463 -0.928 1.00 3.28 C ATOM 1047 C LYS A 70 -13.452 18.231 -1.324 1.00 3.00 C ATOM 1048 O LYS A 70 -13.064 17.485 -2.225 1.00 2.93 O ATOM 1049 CB LYS A 70 -12.257 20.282 -2.170 1.00 4.20 C ATOM 1050 CG LYS A 70 -11.029 19.780 -2.923 1.00 4.31 C ATOM 1051 CD LYS A 70 -9.738 20.287 -2.295 1.00 4.26 C ATOM 1052 CE LYS A 70 -8.530 20.039 -3.185 1.00 4.89 C ATOM 1053 NZ LYS A 70 -8.408 18.615 -3.586 1.00 5.48 N ATOM 0 H LYS A 70 -10.998 18.265 -0.474 1.00 2.48 H new ATOM 0 HA LYS A 70 -13.281 20.105 -0.310 1.00 3.28 H new ATOM 0 HB2 LYS A 70 -13.102 20.298 -2.858 1.00 4.20 H new ATOM 0 HB3 LYS A 70 -12.077 21.312 -1.862 1.00 4.20 H new ATOM 0 HG2 LYS A 70 -11.027 18.690 -2.930 1.00 4.31 H new ATOM 0 HG3 LYS A 70 -11.081 20.106 -3.962 1.00 4.31 H new ATOM 0 HD2 LYS A 70 -9.828 21.355 -2.096 1.00 4.26 H new ATOM 0 HD3 LYS A 70 -9.586 19.796 -1.334 1.00 4.26 H new ATOM 0 HE2 LYS A 70 -8.606 20.660 -4.077 1.00 4.89 H new ATOM 0 HE3 LYS A 70 -7.625 20.345 -2.659 1.00 4.89 H new ATOM 0 HZ1 LYS A 70 -7.467 18.260 -3.323 1.00 5.48 H new ATOM 0 HZ2 LYS A 70 -9.137 18.054 -3.101 1.00 5.48 H new ATOM 0 HZ3 LYS A 70 -8.534 18.532 -4.615 1.00 5.48 H new ATOM 1067 N LYS A 71 -14.553 18.016 -0.616 1.00 2.96 N ATOM 1068 CA LYS A 71 -15.446 16.906 -0.878 1.00 2.86 C ATOM 1069 C LYS A 71 -15.902 16.909 -2.329 1.00 2.90 C ATOM 1070 O LYS A 71 -16.199 17.961 -2.907 1.00 3.09 O ATOM 1071 CB LYS A 71 -16.644 16.963 0.057 1.00 3.08 C ATOM 1072 CG LYS A 71 -17.475 18.201 -0.119 1.00 3.27 C ATOM 1073 CD LYS A 71 -18.585 18.270 0.906 1.00 3.56 C ATOM 1074 CE LYS A 71 -19.655 17.222 0.665 1.00 3.84 C ATOM 1075 NZ LYS A 71 -20.807 17.395 1.587 1.00 4.42 N ATOM 0 H LYS A 71 -14.849 18.611 0.158 1.00 2.96 H new ATOM 0 HA LYS A 71 -14.904 15.978 -0.696 1.00 2.86 H new ATOM 0 HB2 LYS A 71 -17.270 16.087 -0.111 1.00 3.08 H new ATOM 0 HB3 LYS A 71 -16.294 16.912 1.088 1.00 3.08 H new ATOM 0 HG2 LYS A 71 -16.840 19.083 -0.030 1.00 3.27 H new ATOM 0 HG3 LYS A 71 -17.902 18.215 -1.122 1.00 3.27 H new ATOM 0 HD2 LYS A 71 -18.165 18.135 1.903 1.00 3.56 H new ATOM 0 HD3 LYS A 71 -19.038 19.261 0.882 1.00 3.56 H new ATOM 0 HE2 LYS A 71 -20.001 17.285 -0.367 1.00 3.84 H new ATOM 0 HE3 LYS A 71 -19.228 16.228 0.798 1.00 3.84 H new ATOM 0 HZ1 LYS A 71 -21.480 16.613 1.453 1.00 4.42 H new ATOM 0 HZ2 LYS A 71 -20.468 17.395 2.570 1.00 4.42 H new ATOM 0 HZ3 LYS A 71 -21.281 18.298 1.385 1.00 4.42 H new ATOM 1089 N ARG A 72 -15.944 15.731 -2.914 1.00 2.81 N ATOM 1090 CA ARG A 72 -16.293 15.585 -4.312 1.00 3.01 C ATOM 1091 C ARG A 72 -17.810 15.518 -4.460 1.00 3.30 C ATOM 1092 O ARG A 72 -18.538 15.427 -3.476 1.00 3.34 O ATOM 1093 CB ARG A 72 -15.620 14.337 -4.907 1.00 2.81 C ATOM 1094 CG ARG A 72 -16.534 13.134 -5.038 1.00 2.72 C ATOM 1095 CD ARG A 72 -15.947 12.068 -5.953 1.00 2.78 C ATOM 1096 NE ARG A 72 -15.654 12.578 -7.293 1.00 3.13 N ATOM 1097 CZ ARG A 72 -15.233 11.812 -8.301 1.00 3.60 C ATOM 1098 NH1 ARG A 72 -15.113 10.499 -8.134 1.00 3.79 N ATOM 1099 NH2 ARG A 72 -14.936 12.356 -9.476 1.00 4.27 N ATOM 0 H ARG A 72 -15.739 14.852 -2.438 1.00 2.81 H new ATOM 0 HA ARG A 72 -15.930 16.452 -4.865 1.00 3.01 H new ATOM 0 HB2 ARG A 72 -15.225 14.587 -5.892 1.00 2.81 H new ATOM 0 HB3 ARG A 72 -14.769 14.065 -4.282 1.00 2.81 H new ATOM 0 HG2 ARG A 72 -16.714 12.706 -4.052 1.00 2.72 H new ATOM 0 HG3 ARG A 72 -17.500 13.454 -5.428 1.00 2.72 H new ATOM 0 HD2 ARG A 72 -15.032 11.677 -5.509 1.00 2.78 H new ATOM 0 HD3 ARG A 72 -16.646 11.235 -6.030 1.00 2.78 H new ATOM 0 HE ARG A 72 -15.779 13.575 -7.466 1.00 3.13 H new ATOM 0 HH11 ARG A 72 -15.343 10.076 -7.235 1.00 3.79 H new ATOM 0 HH12 ARG A 72 -14.791 9.914 -8.905 1.00 3.79 H new ATOM 0 HH21 ARG A 72 -15.029 13.363 -9.610 1.00 4.27 H new ATOM 0 HH22 ARG A 72 -14.614 11.767 -10.244 1.00 4.27 H new ATOM 1113 N LYS A 73 -18.272 15.587 -5.690 1.00 3.60 N ATOM 1114 CA LYS A 73 -19.689 15.543 -5.999 1.00 3.94 C ATOM 1115 C LYS A 73 -19.903 14.743 -7.267 1.00 4.08 C ATOM 1116 O LYS A 73 -18.952 14.487 -8.003 1.00 4.10 O ATOM 1117 CB LYS A 73 -20.261 16.952 -6.135 1.00 4.37 C ATOM 1118 CG LYS A 73 -19.207 18.026 -6.300 1.00 4.48 C ATOM 1119 CD LYS A 73 -18.530 17.958 -7.656 1.00 4.57 C ATOM 1120 CE LYS A 73 -17.198 18.680 -7.638 1.00 4.59 C ATOM 1121 NZ LYS A 73 -16.529 18.640 -8.962 1.00 5.09 N ATOM 0 H LYS A 73 -17.673 15.676 -6.511 1.00 3.60 H new ATOM 0 HA LYS A 73 -20.218 15.055 -5.180 1.00 3.94 H new ATOM 0 HB2 LYS A 73 -20.933 16.980 -6.993 1.00 4.37 H new ATOM 0 HB3 LYS A 73 -20.861 17.177 -5.253 1.00 4.37 H new ATOM 0 HG2 LYS A 73 -19.666 19.006 -6.173 1.00 4.48 H new ATOM 0 HG3 LYS A 73 -18.458 17.921 -5.515 1.00 4.48 H new ATOM 0 HD2 LYS A 73 -18.379 16.916 -7.938 1.00 4.57 H new ATOM 0 HD3 LYS A 73 -19.178 18.402 -8.412 1.00 4.57 H new ATOM 0 HE2 LYS A 73 -17.351 19.717 -7.340 1.00 4.59 H new ATOM 0 HE3 LYS A 73 -16.549 18.226 -6.889 1.00 4.59 H new ATOM 0 HZ1 LYS A 73 -15.621 19.145 -8.908 1.00 5.09 H new ATOM 0 HZ2 LYS A 73 -16.359 17.651 -9.236 1.00 5.09 H new ATOM 0 HZ3 LYS A 73 -17.137 19.096 -9.672 1.00 5.09 H new ATOM 1135 N ASP A 74 -21.136 14.330 -7.527 1.00 4.26 N ATOM 1136 CA ASP A 74 -21.394 13.483 -8.674 1.00 4.45 C ATOM 1137 C ASP A 74 -21.707 14.339 -9.894 1.00 4.86 C ATOM 1138 O ASP A 74 -21.476 15.549 -9.871 1.00 4.98 O ATOM 1139 CB ASP A 74 -22.534 12.515 -8.375 1.00 4.49 C ATOM 1140 CG ASP A 74 -22.403 11.215 -9.143 1.00 4.58 C ATOM 1141 OD1 ASP A 74 -22.821 11.165 -10.318 1.00 4.91 O ATOM 1142 OD2 ASP A 74 -21.876 10.237 -8.573 1.00 4.39 O ATOM 0 H ASP A 74 -21.957 14.564 -6.969 1.00 4.26 H new ATOM 0 HA ASP A 74 -20.502 12.894 -8.889 1.00 4.45 H new ATOM 0 HB2 ASP A 74 -22.556 12.302 -7.306 1.00 4.49 H new ATOM 0 HB3 ASP A 74 -23.484 12.988 -8.625 1.00 4.49 H new ATOM 1147 N ASN A 75 -22.252 13.725 -10.932 1.00 5.14 N ATOM 1148 CA ASN A 75 -22.468 14.395 -12.214 1.00 5.57 C ATOM 1149 C ASN A 75 -23.266 15.690 -12.076 1.00 5.81 C ATOM 1150 O ASN A 75 -23.044 16.640 -12.823 1.00 6.14 O ATOM 1151 CB ASN A 75 -23.185 13.462 -13.187 1.00 5.82 C ATOM 1152 CG ASN A 75 -22.387 12.213 -13.503 1.00 6.19 C ATOM 1153 OD1 ASN A 75 -21.155 12.229 -13.497 1.00 6.35 O ATOM 1154 ND2 ASN A 75 -23.080 11.122 -13.783 1.00 6.68 N ATOM 0 H ASN A 75 -22.558 12.752 -10.915 1.00 5.14 H new ATOM 0 HA ASN A 75 -21.482 14.654 -12.599 1.00 5.57 H new ATOM 0 HB2 ASN A 75 -24.148 13.175 -12.764 1.00 5.82 H new ATOM 0 HB3 ASN A 75 -23.391 13.999 -14.113 1.00 5.82 H new ATOM 0 HD21 ASN A 75 -22.595 10.253 -14.005 1.00 6.68 H new ATOM 0 HD22 ASN A 75 -24.100 11.150 -13.777 1.00 6.68 H new ATOM 1161 N GLU A 76 -24.167 15.746 -11.103 1.00 5.70 N ATOM 1162 CA GLU A 76 -25.071 16.883 -10.984 1.00 6.00 C ATOM 1163 C GLU A 76 -24.603 17.812 -9.889 1.00 5.89 C ATOM 1164 O GLU A 76 -25.297 18.752 -9.499 1.00 6.16 O ATOM 1165 CB GLU A 76 -26.486 16.401 -10.704 1.00 6.08 C ATOM 1166 CG GLU A 76 -27.043 15.559 -11.831 1.00 6.28 C ATOM 1167 CD GLU A 76 -27.308 16.368 -13.085 1.00 6.80 C ATOM 1168 OE1 GLU A 76 -28.355 17.046 -13.148 1.00 7.13 O ATOM 1169 OE2 GLU A 76 -26.473 16.333 -14.014 1.00 7.08 O ATOM 0 H GLU A 76 -24.291 15.026 -10.392 1.00 5.70 H new ATOM 0 HA GLU A 76 -25.071 17.432 -11.926 1.00 6.00 H new ATOM 0 HB2 GLU A 76 -26.493 15.819 -9.782 1.00 6.08 H new ATOM 0 HB3 GLU A 76 -27.135 17.262 -10.543 1.00 6.08 H new ATOM 0 HG2 GLU A 76 -26.342 14.757 -12.062 1.00 6.28 H new ATOM 0 HG3 GLU A 76 -27.970 15.088 -11.504 1.00 6.28 H new ATOM 1176 N GLY A 77 -23.421 17.521 -9.392 1.00 5.53 N ATOM 1177 CA GLY A 77 -22.826 18.346 -8.363 1.00 5.43 C ATOM 1178 C GLY A 77 -23.443 18.080 -7.009 1.00 5.30 C ATOM 1179 O GLY A 77 -23.584 18.987 -6.192 1.00 5.44 O ATOM 0 H GLY A 77 -22.855 16.723 -9.682 1.00 5.53 H new ATOM 0 HA2 GLY A 77 -21.754 18.156 -8.318 1.00 5.43 H new ATOM 0 HA3 GLY A 77 -22.953 19.398 -8.621 1.00 5.43 H new ATOM 1183 N ASN A 78 -23.816 16.826 -6.782 1.00 5.12 N ATOM 1184 CA ASN A 78 -24.450 16.424 -5.537 1.00 5.11 C ATOM 1185 C ASN A 78 -23.443 16.439 -4.389 1.00 4.81 C ATOM 1186 O ASN A 78 -23.236 17.474 -3.756 1.00 5.14 O ATOM 1187 CB ASN A 78 -25.064 15.033 -5.682 1.00 5.08 C ATOM 1188 CG ASN A 78 -26.154 14.955 -6.720 1.00 5.24 C ATOM 1189 OD1 ASN A 78 -25.793 14.451 -7.886 1.00 5.62 O flip ATOM 1190 ND2 ASN A 78 -27.309 15.297 -6.469 1.00 5.20 N flip ATOM 0 H ASN A 78 -23.688 16.067 -7.451 1.00 5.12 H new ATOM 0 HA ASN A 78 -25.242 17.137 -5.309 1.00 5.11 H new ATOM 0 HB2 ASN A 78 -24.278 14.324 -5.940 1.00 5.08 H new ATOM 0 HB3 ASN A 78 -25.469 14.723 -4.719 1.00 5.08 H new ATOM 0 HD21 ASN A 78 -27.539 15.681 -5.553 1.00 5.20 H new ATOM 0 HD22 ASN A 78 -28.036 15.196 -7.177 1.00 5.20 H new ATOM 1197 N GLU A 79 -22.812 15.284 -4.149 1.00 4.33 N ATOM 1198 CA GLU A 79 -21.733 15.143 -3.166 1.00 3.99 C ATOM 1199 C GLU A 79 -21.385 13.671 -2.961 1.00 3.71 C ATOM 1200 O GLU A 79 -22.253 12.843 -2.688 1.00 3.86 O ATOM 1201 CB GLU A 79 -22.073 15.784 -1.816 1.00 4.17 C ATOM 1202 CG GLU A 79 -23.263 15.180 -1.117 1.00 4.39 C ATOM 1203 CD GLU A 79 -23.503 15.814 0.232 1.00 4.64 C ATOM 1204 OE1 GLU A 79 -22.725 15.537 1.171 1.00 4.66 O ATOM 1205 OE2 GLU A 79 -24.454 16.610 0.356 1.00 5.00 O ATOM 0 H GLU A 79 -23.037 14.416 -4.635 1.00 4.33 H new ATOM 0 HA GLU A 79 -20.872 15.674 -3.573 1.00 3.99 H new ATOM 0 HB2 GLU A 79 -21.205 15.704 -1.162 1.00 4.17 H new ATOM 0 HB3 GLU A 79 -22.259 16.847 -1.970 1.00 4.17 H new ATOM 0 HG2 GLU A 79 -24.150 15.302 -1.739 1.00 4.39 H new ATOM 0 HG3 GLU A 79 -23.106 14.109 -0.992 1.00 4.39 H new ATOM 1212 N VAL A 80 -20.116 13.346 -3.128 1.00 3.33 N ATOM 1213 CA VAL A 80 -19.624 12.000 -2.877 1.00 3.02 C ATOM 1214 C VAL A 80 -18.430 12.071 -1.943 1.00 2.68 C ATOM 1215 O VAL A 80 -17.683 13.051 -1.960 1.00 2.62 O ATOM 1216 CB VAL A 80 -19.172 11.276 -4.161 1.00 2.92 C ATOM 1217 CG1 VAL A 80 -19.238 9.767 -3.981 1.00 2.77 C ATOM 1218 CG2 VAL A 80 -19.987 11.713 -5.368 1.00 3.31 C ATOM 0 H VAL A 80 -19.400 14.002 -3.440 1.00 3.33 H new ATOM 0 HA VAL A 80 -20.452 11.440 -2.442 1.00 3.02 H new ATOM 0 HB VAL A 80 -18.135 11.555 -4.348 1.00 2.92 H new ATOM 0 HG11 VAL A 80 -18.915 9.277 -4.899 1.00 2.77 H new ATOM 0 HG12 VAL A 80 -18.584 9.469 -3.161 1.00 2.77 H new ATOM 0 HG13 VAL A 80 -20.262 9.472 -3.753 1.00 2.77 H new ATOM 0 HG21 VAL A 80 -19.639 11.181 -6.254 1.00 3.31 H new ATOM 0 HG22 VAL A 80 -21.039 11.486 -5.198 1.00 3.31 H new ATOM 0 HG23 VAL A 80 -19.867 12.786 -5.519 1.00 3.31 H new ATOM 1228 N VAL A 81 -18.250 11.052 -1.131 1.00 2.52 N ATOM 1229 CA VAL A 81 -17.078 10.975 -0.284 1.00 2.22 C ATOM 1230 C VAL A 81 -16.153 9.856 -0.767 1.00 1.84 C ATOM 1231 O VAL A 81 -16.363 8.676 -0.477 1.00 1.82 O ATOM 1232 CB VAL A 81 -17.451 10.804 1.212 1.00 2.45 C ATOM 1233 CG1 VAL A 81 -18.494 9.714 1.401 1.00 2.77 C ATOM 1234 CG2 VAL A 81 -16.216 10.515 2.050 1.00 2.45 C ATOM 0 H VAL A 81 -18.896 10.268 -1.039 1.00 2.52 H new ATOM 0 HA VAL A 81 -16.543 11.922 -0.361 1.00 2.22 H new ATOM 0 HB VAL A 81 -17.884 11.744 1.553 1.00 2.45 H new ATOM 0 HG11 VAL A 81 -18.733 9.619 2.460 1.00 2.77 H new ATOM 0 HG12 VAL A 81 -19.396 9.974 0.847 1.00 2.77 H new ATOM 0 HG13 VAL A 81 -18.101 8.767 1.032 1.00 2.77 H new ATOM 0 HG21 VAL A 81 -16.504 10.399 3.095 1.00 2.45 H new ATOM 0 HG22 VAL A 81 -15.745 9.596 1.700 1.00 2.45 H new ATOM 0 HG23 VAL A 81 -15.512 11.342 1.957 1.00 2.45 H new ATOM 1244 N PRO A 82 -15.138 10.236 -1.561 1.00 1.62 N ATOM 1245 CA PRO A 82 -14.182 9.302 -2.159 1.00 1.35 C ATOM 1246 C PRO A 82 -13.566 8.329 -1.166 1.00 1.10 C ATOM 1247 O PRO A 82 -13.276 8.686 -0.024 1.00 1.10 O ATOM 1248 CB PRO A 82 -13.092 10.214 -2.702 1.00 1.48 C ATOM 1249 CG PRO A 82 -13.761 11.499 -2.964 1.00 1.62 C ATOM 1250 CD PRO A 82 -14.862 11.626 -1.968 1.00 1.78 C ATOM 0 HA PRO A 82 -14.675 8.673 -2.900 1.00 1.35 H new ATOM 0 HB2 PRO A 82 -12.282 10.331 -1.983 1.00 1.48 H new ATOM 0 HB3 PRO A 82 -12.653 9.805 -3.612 1.00 1.48 H new ATOM 0 HG2 PRO A 82 -13.058 12.326 -2.870 1.00 1.62 H new ATOM 0 HG3 PRO A 82 -14.154 11.529 -3.980 1.00 1.62 H new ATOM 0 HD2 PRO A 82 -14.562 12.239 -1.118 1.00 1.78 H new ATOM 0 HD3 PRO A 82 -15.743 12.096 -2.405 1.00 1.78 H new ATOM 1258 N LYS A 83 -13.379 7.095 -1.605 1.00 1.01 N ATOM 1259 CA LYS A 83 -12.578 6.147 -0.857 1.00 0.88 C ATOM 1260 C LYS A 83 -11.113 6.380 -1.186 1.00 0.75 C ATOM 1261 O LYS A 83 -10.753 6.572 -2.353 1.00 0.79 O ATOM 1262 CB LYS A 83 -13.023 4.704 -1.151 1.00 0.99 C ATOM 1263 CG LYS A 83 -11.936 3.640 -1.018 1.00 1.56 C ATOM 1264 CD LYS A 83 -11.284 3.309 -2.356 1.00 2.07 C ATOM 1265 CE LYS A 83 -12.259 2.639 -3.318 1.00 2.35 C ATOM 1266 NZ LYS A 83 -12.769 1.344 -2.793 1.00 3.11 N ATOM 0 H LYS A 83 -13.771 6.730 -2.473 1.00 1.01 H new ATOM 0 HA LYS A 83 -12.719 6.298 0.213 1.00 0.88 H new ATOM 0 HB2 LYS A 83 -13.840 4.450 -0.476 1.00 0.99 H new ATOM 0 HB3 LYS A 83 -13.423 4.665 -2.164 1.00 0.99 H new ATOM 0 HG2 LYS A 83 -11.174 3.988 -0.321 1.00 1.56 H new ATOM 0 HG3 LYS A 83 -12.368 2.734 -0.593 1.00 1.56 H new ATOM 0 HD2 LYS A 83 -10.900 4.224 -2.808 1.00 2.07 H new ATOM 0 HD3 LYS A 83 -10.430 2.652 -2.190 1.00 2.07 H new ATOM 0 HE2 LYS A 83 -13.098 3.308 -3.506 1.00 2.35 H new ATOM 0 HE3 LYS A 83 -11.765 2.471 -4.275 1.00 2.35 H new ATOM 0 HZ1 LYS A 83 -13.155 0.780 -3.577 1.00 3.11 H new ATOM 0 HZ2 LYS A 83 -11.991 0.822 -2.341 1.00 3.11 H new ATOM 0 HZ3 LYS A 83 -13.518 1.524 -2.094 1.00 3.11 H new ATOM 1280 N PRO A 84 -10.263 6.403 -0.152 1.00 0.64 N ATOM 1281 CA PRO A 84 -8.849 6.729 -0.298 1.00 0.54 C ATOM 1282 C PRO A 84 -8.158 5.862 -1.335 1.00 0.52 C ATOM 1283 O PRO A 84 -8.307 4.635 -1.334 1.00 0.57 O ATOM 1284 CB PRO A 84 -8.245 6.467 1.075 1.00 0.48 C ATOM 1285 CG PRO A 84 -9.380 6.353 2.032 1.00 0.56 C ATOM 1286 CD PRO A 84 -10.636 6.099 1.237 1.00 0.67 C ATOM 0 HA PRO A 84 -8.724 7.757 -0.637 1.00 0.54 H new ATOM 0 HB2 PRO A 84 -7.652 5.552 1.068 1.00 0.48 H new ATOM 0 HB3 PRO A 84 -7.576 7.278 1.364 1.00 0.48 H new ATOM 0 HG2 PRO A 84 -9.204 5.540 2.737 1.00 0.56 H new ATOM 0 HG3 PRO A 84 -9.478 7.267 2.618 1.00 0.56 H new ATOM 0 HD2 PRO A 84 -10.969 5.066 1.341 1.00 0.67 H new ATOM 0 HD3 PRO A 84 -11.455 6.734 1.576 1.00 0.67 H new ATOM 1294 N GLN A 85 -7.404 6.501 -2.215 1.00 0.51 N ATOM 1295 CA GLN A 85 -6.704 5.790 -3.265 1.00 0.52 C ATOM 1296 C GLN A 85 -5.489 5.106 -2.680 1.00 0.43 C ATOM 1297 O GLN A 85 -4.959 5.510 -1.649 1.00 0.54 O ATOM 1298 CB GLN A 85 -6.317 6.723 -4.421 1.00 0.62 C ATOM 1299 CG GLN A 85 -5.006 7.453 -4.213 1.00 0.85 C ATOM 1300 CD GLN A 85 -5.027 8.373 -3.014 1.00 0.87 C ATOM 1301 OE1 GLN A 85 -6.062 8.938 -2.660 1.00 1.78 O ATOM 1302 NE2 GLN A 85 -3.888 8.518 -2.373 1.00 0.97 N ATOM 0 H GLN A 85 -7.263 7.511 -2.220 1.00 0.51 H new ATOM 0 HA GLN A 85 -7.371 5.036 -3.683 1.00 0.52 H new ATOM 0 HB2 GLN A 85 -6.254 6.139 -5.339 1.00 0.62 H new ATOM 0 HB3 GLN A 85 -7.111 7.457 -4.563 1.00 0.62 H new ATOM 0 HG2 GLN A 85 -4.206 6.723 -4.090 1.00 0.85 H new ATOM 0 HG3 GLN A 85 -4.774 8.034 -5.106 1.00 0.85 H new ATOM 0 HE21 GLN A 85 -3.053 8.031 -2.700 1.00 0.97 H new ATOM 0 HE22 GLN A 85 -3.839 9.117 -1.549 1.00 0.97 H new ATOM 1311 N ARG A 86 -5.060 4.063 -3.336 1.00 0.31 N ATOM 1312 CA ARG A 86 -4.078 3.167 -2.770 1.00 0.27 C ATOM 1313 C ARG A 86 -3.086 2.735 -3.831 1.00 0.26 C ATOM 1314 O ARG A 86 -3.402 2.714 -5.019 1.00 0.40 O ATOM 1315 CB ARG A 86 -4.778 1.937 -2.184 1.00 0.36 C ATOM 1316 CG ARG A 86 -6.132 2.259 -1.574 1.00 0.72 C ATOM 1317 CD ARG A 86 -6.858 1.023 -1.078 1.00 0.54 C ATOM 1318 NE ARG A 86 -7.953 1.369 -0.175 1.00 1.21 N ATOM 1319 CZ ARG A 86 -8.410 0.562 0.785 1.00 1.48 C ATOM 1320 NH1 ARG A 86 -7.907 -0.656 0.934 1.00 1.48 N ATOM 1321 NH2 ARG A 86 -9.383 0.972 1.589 1.00 2.29 N ATOM 0 H ARG A 86 -5.376 3.808 -4.272 1.00 0.31 H new ATOM 0 HA ARG A 86 -3.540 3.689 -1.979 1.00 0.27 H new ATOM 0 HB2 ARG A 86 -4.907 1.191 -2.968 1.00 0.36 H new ATOM 0 HB3 ARG A 86 -4.139 1.491 -1.422 1.00 0.36 H new ATOM 0 HG2 ARG A 86 -5.997 2.953 -0.745 1.00 0.72 H new ATOM 0 HG3 ARG A 86 -6.749 2.765 -2.316 1.00 0.72 H new ATOM 0 HD2 ARG A 86 -7.249 0.464 -1.928 1.00 0.54 H new ATOM 0 HD3 ARG A 86 -6.154 0.369 -0.564 1.00 0.54 H new ATOM 0 HE ARG A 86 -8.395 2.282 -0.285 1.00 1.21 H new ATOM 0 HH11 ARG A 86 -7.166 -0.981 0.313 1.00 1.48 H new ATOM 0 HH12 ARG A 86 -8.261 -1.267 1.670 1.00 1.48 H new ATOM 0 HH21 ARG A 86 -9.782 1.904 1.473 1.00 2.29 H new ATOM 0 HH22 ARG A 86 -9.732 0.355 2.323 1.00 2.29 H new ATOM 1335 N HIS A 87 -1.895 2.391 -3.397 1.00 0.19 N ATOM 1336 CA HIS A 87 -0.848 1.964 -4.300 1.00 0.18 C ATOM 1337 C HIS A 87 -0.498 0.516 -4.005 1.00 0.15 C ATOM 1338 O HIS A 87 0.086 0.214 -2.970 1.00 0.14 O ATOM 1339 CB HIS A 87 0.380 2.863 -4.108 1.00 0.21 C ATOM 1340 CG HIS A 87 0.054 4.329 -4.105 1.00 0.28 C ATOM 1341 ND1 HIS A 87 0.162 5.251 -3.123 1.00 0.41 N flip ATOM 1342 CD2 HIS A 87 -0.493 4.989 -5.183 1.00 0.36 C flip ATOM 1343 CE1 HIS A 87 -0.315 6.438 -3.615 1.00 0.50 C flip ATOM 1344 NE2 HIS A 87 -0.705 6.252 -4.860 1.00 0.47 N flip ATOM 0 H HIS A 87 -1.624 2.399 -2.414 1.00 0.19 H new ATOM 0 HA HIS A 87 -1.185 2.043 -5.334 1.00 0.18 H new ATOM 0 HB2 HIS A 87 0.866 2.605 -3.167 1.00 0.21 H new ATOM 0 HB3 HIS A 87 1.097 2.660 -4.903 1.00 0.21 H new ATOM 0 HD2 HIS A 87 -0.714 4.544 -6.142 1.00 0.36 H new ATOM 0 HE1 HIS A 87 -0.363 7.371 -3.073 1.00 0.50 H new ATOM 0 HE2 HIS A 87 -1.104 6.964 -5.472 1.00 0.47 H new ATOM 1353 N MET A 88 -0.842 -0.376 -4.918 1.00 0.16 N ATOM 1354 CA MET A 88 -0.649 -1.801 -4.685 1.00 0.15 C ATOM 1355 C MET A 88 0.557 -2.312 -5.444 1.00 0.20 C ATOM 1356 O MET A 88 0.691 -2.078 -6.643 1.00 0.30 O ATOM 1357 CB MET A 88 -1.887 -2.603 -5.098 1.00 0.20 C ATOM 1358 CG MET A 88 -1.735 -4.096 -4.847 1.00 0.23 C ATOM 1359 SD MET A 88 -3.127 -5.067 -5.460 1.00 0.32 S ATOM 1360 CE MET A 88 -4.445 -4.493 -4.392 1.00 0.42 C ATOM 0 H MET A 88 -1.254 -0.144 -5.822 1.00 0.16 H new ATOM 0 HA MET A 88 -0.484 -1.935 -3.616 1.00 0.15 H new ATOM 0 HB2 MET A 88 -2.753 -2.234 -4.549 1.00 0.20 H new ATOM 0 HB3 MET A 88 -2.086 -2.436 -6.157 1.00 0.20 H new ATOM 0 HG2 MET A 88 -0.819 -4.446 -5.323 1.00 0.23 H new ATOM 0 HG3 MET A 88 -1.624 -4.268 -3.776 1.00 0.23 H new ATOM 0 HE1 MET A 88 -5.329 -5.113 -4.540 1.00 0.42 H new ATOM 0 HE2 MET A 88 -4.125 -4.559 -3.352 1.00 0.42 H new ATOM 0 HE3 MET A 88 -4.684 -3.457 -4.633 1.00 0.42 H new ATOM 1370 N PHE A 89 1.434 -3.007 -4.742 1.00 0.18 N ATOM 1371 CA PHE A 89 2.586 -3.606 -5.367 1.00 0.28 C ATOM 1372 C PHE A 89 2.588 -5.098 -5.087 1.00 0.31 C ATOM 1373 O PHE A 89 2.579 -5.526 -3.931 1.00 0.43 O ATOM 1374 CB PHE A 89 3.863 -2.954 -4.858 1.00 0.34 C ATOM 1375 CG PHE A 89 3.900 -1.476 -5.106 1.00 0.57 C ATOM 1376 CD1 PHE A 89 3.345 -0.602 -4.196 1.00 0.93 C ATOM 1377 CD2 PHE A 89 4.490 -0.962 -6.246 1.00 0.81 C ATOM 1378 CE1 PHE A 89 3.374 0.762 -4.411 1.00 1.26 C ATOM 1379 CE2 PHE A 89 4.520 0.400 -6.469 1.00 1.17 C ATOM 1380 CZ PHE A 89 3.962 1.264 -5.552 1.00 1.33 C ATOM 0 H PHE A 89 1.365 -3.167 -3.737 1.00 0.18 H new ATOM 0 HA PHE A 89 2.539 -3.449 -6.445 1.00 0.28 H new ATOM 0 HB2 PHE A 89 3.959 -3.141 -3.788 1.00 0.34 H new ATOM 0 HB3 PHE A 89 4.721 -3.420 -5.342 1.00 0.34 H new ATOM 0 HD1 PHE A 89 2.880 -0.990 -3.301 1.00 0.93 H new ATOM 0 HD2 PHE A 89 4.931 -1.632 -6.969 1.00 0.81 H new ATOM 0 HE1 PHE A 89 2.937 1.434 -3.687 1.00 1.26 H new ATOM 0 HE2 PHE A 89 4.982 0.789 -7.364 1.00 1.17 H new ATOM 0 HZ PHE A 89 3.985 2.330 -5.727 1.00 1.33 H new ATOM 1390 N SER A 90 2.596 -5.882 -6.140 1.00 0.26 N ATOM 1391 CA SER A 90 2.487 -7.314 -6.021 1.00 0.26 C ATOM 1392 C SER A 90 3.861 -7.954 -5.920 1.00 0.23 C ATOM 1393 O SER A 90 4.746 -7.680 -6.728 1.00 0.24 O ATOM 1394 CB SER A 90 1.720 -7.870 -7.220 1.00 0.28 C ATOM 1395 OG SER A 90 0.457 -7.234 -7.355 1.00 0.94 O ATOM 0 H SER A 90 2.678 -5.545 -7.099 1.00 0.26 H new ATOM 0 HA SER A 90 1.942 -7.552 -5.108 1.00 0.26 H new ATOM 0 HB2 SER A 90 2.304 -7.724 -8.129 1.00 0.28 H new ATOM 0 HB3 SER A 90 1.579 -8.944 -7.100 1.00 0.28 H new ATOM 0 HG SER A 90 -0.204 -7.698 -6.800 1.00 0.94 H new ATOM 1401 N PHE A 91 4.035 -8.791 -4.917 1.00 0.21 N ATOM 1402 CA PHE A 91 5.274 -9.535 -4.749 1.00 0.21 C ATOM 1403 C PHE A 91 5.069 -11.006 -5.073 1.00 0.23 C ATOM 1404 O PHE A 91 3.956 -11.445 -5.365 1.00 0.28 O ATOM 1405 CB PHE A 91 5.822 -9.386 -3.326 1.00 0.30 C ATOM 1406 CG PHE A 91 6.594 -8.116 -3.123 1.00 0.63 C ATOM 1407 CD1 PHE A 91 7.795 -7.920 -3.779 1.00 0.91 C ATOM 1408 CD2 PHE A 91 6.127 -7.124 -2.281 1.00 0.99 C ATOM 1409 CE1 PHE A 91 8.516 -6.757 -3.602 1.00 1.20 C ATOM 1410 CE2 PHE A 91 6.845 -5.959 -2.100 1.00 1.29 C ATOM 1411 CZ PHE A 91 8.040 -5.776 -2.762 1.00 1.33 C ATOM 0 H PHE A 91 3.332 -8.976 -4.201 1.00 0.21 H new ATOM 0 HA PHE A 91 6.003 -9.119 -5.445 1.00 0.21 H new ATOM 0 HB2 PHE A 91 4.993 -9.417 -2.619 1.00 0.30 H new ATOM 0 HB3 PHE A 91 6.466 -10.236 -3.100 1.00 0.30 H new ATOM 0 HD1 PHE A 91 8.174 -8.687 -4.438 1.00 0.91 H new ATOM 0 HD2 PHE A 91 5.191 -7.262 -1.760 1.00 0.99 H new ATOM 0 HE1 PHE A 91 9.452 -6.617 -4.122 1.00 1.20 H new ATOM 0 HE2 PHE A 91 6.470 -5.191 -1.440 1.00 1.29 H new ATOM 0 HZ PHE A 91 8.602 -4.864 -2.622 1.00 1.33 H new ATOM 1421 N ASN A 92 6.157 -11.753 -5.056 1.00 0.31 N ATOM 1422 CA ASN A 92 6.124 -13.163 -5.392 1.00 0.39 C ATOM 1423 C ASN A 92 6.596 -13.985 -4.208 1.00 0.35 C ATOM 1424 O ASN A 92 6.661 -15.213 -4.270 1.00 0.42 O ATOM 1425 CB ASN A 92 7.011 -13.429 -6.610 1.00 0.51 C ATOM 1426 CG ASN A 92 6.440 -12.842 -7.890 1.00 0.80 C ATOM 1427 OD1 ASN A 92 5.222 -12.785 -8.074 1.00 1.53 O ATOM 1428 ND2 ASN A 92 7.311 -12.397 -8.783 1.00 1.27 N ATOM 0 H ASN A 92 7.083 -11.402 -4.810 1.00 0.31 H new ATOM 0 HA ASN A 92 5.101 -13.450 -5.634 1.00 0.39 H new ATOM 0 HB2 ASN A 92 8.001 -13.009 -6.432 1.00 0.51 H new ATOM 0 HB3 ASN A 92 7.139 -14.504 -6.734 1.00 0.51 H new ATOM 0 HD21 ASN A 92 6.981 -11.990 -9.658 1.00 1.27 H new ATOM 0 HD22 ASN A 92 8.312 -12.461 -8.595 1.00 1.27 H new ATOM 1435 N ASN A 93 6.932 -13.287 -3.130 1.00 0.30 N ATOM 1436 CA ASN A 93 7.388 -13.929 -1.910 1.00 0.32 C ATOM 1437 C ASN A 93 6.873 -13.187 -0.690 1.00 0.28 C ATOM 1438 O ASN A 93 6.980 -11.961 -0.602 1.00 0.23 O ATOM 1439 CB ASN A 93 8.913 -13.967 -1.898 1.00 0.37 C ATOM 1440 CG ASN A 93 9.482 -14.630 -0.660 1.00 0.44 C ATOM 1441 OD1 ASN A 93 9.805 -13.960 0.316 1.00 0.71 O ATOM 1442 ND2 ASN A 93 9.590 -15.946 -0.679 1.00 0.83 N ATOM 0 H ASN A 93 6.896 -12.269 -3.079 1.00 0.30 H new ATOM 0 HA ASN A 93 6.999 -14.947 -1.878 1.00 0.32 H new ATOM 0 HB2 ASN A 93 9.264 -14.500 -2.782 1.00 0.37 H new ATOM 0 HB3 ASN A 93 9.296 -12.949 -1.966 1.00 0.37 H new ATOM 0 HD21 ASN A 93 9.952 -16.440 0.137 1.00 0.83 H new ATOM 0 HD22 ASN A 93 9.311 -16.469 -1.509 1.00 0.83 H new ATOM 1449 N ARG A 94 6.309 -13.936 0.251 1.00 0.34 N ATOM 1450 CA ARG A 94 5.665 -13.339 1.407 1.00 0.37 C ATOM 1451 C ARG A 94 6.694 -12.819 2.394 1.00 0.30 C ATOM 1452 O ARG A 94 6.403 -11.917 3.171 1.00 0.27 O ATOM 1453 CB ARG A 94 4.711 -14.332 2.074 1.00 0.57 C ATOM 1454 CG ARG A 94 3.553 -13.661 2.794 1.00 0.90 C ATOM 1455 CD ARG A 94 3.888 -13.342 4.233 1.00 0.71 C ATOM 1456 NE ARG A 94 2.917 -12.423 4.825 1.00 0.99 N ATOM 1457 CZ ARG A 94 3.116 -11.759 5.962 1.00 1.35 C ATOM 1458 NH1 ARG A 94 4.223 -11.954 6.659 1.00 2.16 N ATOM 1459 NH2 ARG A 94 2.201 -10.903 6.398 1.00 1.70 N ATOM 0 H ARG A 94 6.286 -14.956 0.233 1.00 0.34 H new ATOM 0 HA ARG A 94 5.075 -12.489 1.064 1.00 0.37 H new ATOM 0 HB2 ARG A 94 4.316 -15.010 1.317 1.00 0.57 H new ATOM 0 HB3 ARG A 94 5.269 -14.940 2.786 1.00 0.57 H new ATOM 0 HG2 ARG A 94 3.285 -12.742 2.272 1.00 0.90 H new ATOM 0 HG3 ARG A 94 2.680 -14.312 2.761 1.00 0.90 H new ATOM 0 HD2 ARG A 94 3.916 -14.265 4.813 1.00 0.71 H new ATOM 0 HD3 ARG A 94 4.884 -12.902 4.286 1.00 0.71 H new ATOM 0 HE ARG A 94 2.033 -12.282 4.337 1.00 0.99 H new ATOM 0 HH11 ARG A 94 4.926 -12.614 6.326 1.00 2.16 H new ATOM 0 HH12 ARG A 94 4.374 -11.445 7.530 1.00 2.16 H new ATOM 0 HH21 ARG A 94 1.346 -10.754 5.862 1.00 1.70 H new ATOM 0 HH22 ARG A 94 2.353 -10.394 7.269 1.00 1.70 H new ATOM 1473 N THR A 95 7.901 -13.359 2.349 1.00 0.30 N ATOM 1474 CA THR A 95 8.963 -12.854 3.197 1.00 0.27 C ATOM 1475 C THR A 95 9.405 -11.477 2.707 1.00 0.21 C ATOM 1476 O THR A 95 9.405 -10.517 3.468 1.00 0.18 O ATOM 1477 CB THR A 95 10.169 -13.802 3.239 1.00 0.32 C ATOM 1478 OG1 THR A 95 9.771 -15.084 3.742 1.00 0.40 O ATOM 1479 CG2 THR A 95 11.261 -13.218 4.111 1.00 0.32 C ATOM 0 H THR A 95 8.166 -14.136 1.743 1.00 0.30 H new ATOM 0 HA THR A 95 8.568 -12.780 4.210 1.00 0.27 H new ATOM 0 HB THR A 95 10.555 -13.925 2.227 1.00 0.32 H new ATOM 0 HG1 THR A 95 10.547 -15.682 3.763 1.00 0.40 H new ATOM 0 HG21 THR A 95 12.112 -13.899 4.134 1.00 0.32 H new ATOM 0 HG22 THR A 95 11.576 -12.257 3.705 1.00 0.32 H new ATOM 0 HG23 THR A 95 10.882 -13.077 5.123 1.00 0.32 H new ATOM 1487 N VAL A 96 9.768 -11.398 1.427 1.00 0.23 N ATOM 1488 CA VAL A 96 10.087 -10.127 0.771 1.00 0.21 C ATOM 1489 C VAL A 96 9.055 -9.069 1.101 1.00 0.19 C ATOM 1490 O VAL A 96 9.387 -8.006 1.621 1.00 0.19 O ATOM 1491 CB VAL A 96 10.114 -10.266 -0.766 1.00 0.25 C ATOM 1492 CG1 VAL A 96 10.361 -8.910 -1.421 1.00 0.28 C ATOM 1493 CG2 VAL A 96 11.169 -11.272 -1.197 1.00 0.29 C ATOM 0 H VAL A 96 9.850 -12.210 0.816 1.00 0.23 H new ATOM 0 HA VAL A 96 11.071 -9.838 1.140 1.00 0.21 H new ATOM 0 HB VAL A 96 9.142 -10.633 -1.094 1.00 0.25 H new ATOM 0 HG11 VAL A 96 10.377 -9.027 -2.505 1.00 0.28 H new ATOM 0 HG12 VAL A 96 9.564 -8.221 -1.142 1.00 0.28 H new ATOM 0 HG13 VAL A 96 11.319 -8.513 -1.085 1.00 0.28 H new ATOM 0 HG21 VAL A 96 11.171 -11.354 -2.284 1.00 0.29 H new ATOM 0 HG22 VAL A 96 12.150 -10.939 -0.857 1.00 0.29 H new ATOM 0 HG23 VAL A 96 10.944 -12.245 -0.760 1.00 0.29 H new ATOM 1503 N MET A 97 7.805 -9.363 0.792 1.00 0.19 N ATOM 1504 CA MET A 97 6.743 -8.407 1.027 1.00 0.19 C ATOM 1505 C MET A 97 6.578 -8.125 2.517 1.00 0.17 C ATOM 1506 O MET A 97 6.202 -7.027 2.900 1.00 0.19 O ATOM 1507 CB MET A 97 5.442 -8.886 0.382 1.00 0.21 C ATOM 1508 CG MET A 97 4.769 -10.059 1.065 1.00 0.22 C ATOM 1509 SD MET A 97 3.177 -9.635 1.800 1.00 0.29 S ATOM 1510 CE MET A 97 3.658 -9.235 3.469 1.00 0.17 C ATOM 0 H MET A 97 7.504 -10.247 0.382 1.00 0.19 H new ATOM 0 HA MET A 97 7.013 -7.462 0.556 1.00 0.19 H new ATOM 0 HB2 MET A 97 4.741 -8.052 0.356 1.00 0.21 H new ATOM 0 HB3 MET A 97 5.649 -9.160 -0.652 1.00 0.21 H new ATOM 0 HG2 MET A 97 4.625 -10.860 0.340 1.00 0.22 H new ATOM 0 HG3 MET A 97 5.429 -10.447 1.841 1.00 0.22 H new ATOM 0 HE1 MET A 97 2.789 -9.301 4.124 1.00 0.17 H new ATOM 0 HE2 MET A 97 4.420 -9.937 3.806 1.00 0.17 H new ATOM 0 HE3 MET A 97 4.059 -8.222 3.499 1.00 0.17 H new ATOM 1520 N ASP A 98 6.897 -9.099 3.365 1.00 0.16 N ATOM 1521 CA ASP A 98 6.855 -8.879 4.811 1.00 0.16 C ATOM 1522 C ASP A 98 7.954 -7.907 5.210 1.00 0.15 C ATOM 1523 O ASP A 98 7.794 -7.098 6.123 1.00 0.22 O ATOM 1524 CB ASP A 98 7.029 -10.194 5.574 1.00 0.21 C ATOM 1525 CG ASP A 98 6.937 -10.011 7.074 1.00 0.30 C ATOM 1526 OD1 ASP A 98 5.818 -9.797 7.583 1.00 0.38 O ATOM 1527 OD2 ASP A 98 7.980 -10.087 7.757 1.00 0.39 O ATOM 0 H ASP A 98 7.184 -10.036 3.083 1.00 0.16 H new ATOM 0 HA ASP A 98 5.881 -8.462 5.067 1.00 0.16 H new ATOM 0 HB2 ASP A 98 6.266 -10.902 5.250 1.00 0.21 H new ATOM 0 HB3 ASP A 98 7.996 -10.631 5.323 1.00 0.21 H new ATOM 1532 N ASN A 99 9.048 -7.972 4.473 1.00 0.12 N ATOM 1533 CA ASN A 99 10.221 -7.149 4.731 1.00 0.13 C ATOM 1534 C ASN A 99 9.961 -5.724 4.276 1.00 0.15 C ATOM 1535 O ASN A 99 10.226 -4.763 4.995 1.00 0.24 O ATOM 1536 CB ASN A 99 11.432 -7.727 3.993 1.00 0.22 C ATOM 1537 CG ASN A 99 11.846 -9.086 4.515 1.00 0.71 C ATOM 1538 OD1 ASN A 99 11.768 -9.357 5.715 1.00 1.55 O ATOM 1539 ND2 ASN A 99 12.255 -9.967 3.616 1.00 0.50 N ATOM 0 H ASN A 99 9.151 -8.599 3.675 1.00 0.12 H new ATOM 0 HA ASN A 99 10.429 -7.144 5.801 1.00 0.13 H new ATOM 0 HB2 ASN A 99 11.200 -7.807 2.931 1.00 0.22 H new ATOM 0 HB3 ASN A 99 12.271 -7.037 4.085 1.00 0.22 H new ATOM 0 HD21 ASN A 99 12.519 -10.908 3.908 1.00 0.50 H new ATOM 0 HD22 ASN A 99 12.306 -9.705 2.632 1.00 0.50 H new ATOM 1546 N ILE A 100 9.426 -5.611 3.077 1.00 0.12 N ATOM 1547 CA ILE A 100 9.016 -4.331 2.515 1.00 0.12 C ATOM 1548 C ILE A 100 7.932 -3.697 3.380 1.00 0.11 C ATOM 1549 O ILE A 100 8.035 -2.536 3.780 1.00 0.13 O ATOM 1550 CB ILE A 100 8.461 -4.547 1.095 1.00 0.11 C ATOM 1551 CG1 ILE A 100 9.561 -5.057 0.176 1.00 0.13 C ATOM 1552 CG2 ILE A 100 7.868 -3.264 0.539 1.00 0.12 C ATOM 1553 CD1 ILE A 100 10.614 -4.016 -0.111 1.00 0.11 C ATOM 0 H ILE A 100 9.261 -6.405 2.459 1.00 0.12 H new ATOM 0 HA ILE A 100 9.882 -3.670 2.481 1.00 0.12 H new ATOM 0 HB ILE A 100 7.667 -5.292 1.150 1.00 0.11 H new ATOM 0 HG12 ILE A 100 10.033 -5.928 0.631 1.00 0.13 H new ATOM 0 HG13 ILE A 100 9.119 -5.388 -0.764 1.00 0.13 H new ATOM 0 HG21 ILE A 100 7.484 -3.446 -0.465 1.00 0.12 H new ATOM 0 HG22 ILE A 100 7.055 -2.930 1.184 1.00 0.12 H new ATOM 0 HG23 ILE A 100 8.639 -2.495 0.498 1.00 0.12 H new ATOM 0 HD11 ILE A 100 11.372 -4.438 -0.771 1.00 0.11 H new ATOM 0 HD12 ILE A 100 10.152 -3.154 -0.592 1.00 0.11 H new ATOM 0 HD13 ILE A 100 11.080 -3.703 0.823 1.00 0.11 H new ATOM 1565 N LYS A 101 6.894 -4.480 3.668 1.00 0.11 N ATOM 1566 CA LYS A 101 5.785 -4.026 4.487 1.00 0.12 C ATOM 1567 C LYS A 101 6.270 -3.521 5.840 1.00 0.11 C ATOM 1568 O LYS A 101 5.948 -2.404 6.233 1.00 0.14 O ATOM 1569 CB LYS A 101 4.765 -5.157 4.672 1.00 0.18 C ATOM 1570 CG LYS A 101 3.919 -5.058 5.936 1.00 0.89 C ATOM 1571 CD LYS A 101 3.984 -6.342 6.758 1.00 0.75 C ATOM 1572 CE LYS A 101 5.058 -6.278 7.843 1.00 0.42 C ATOM 1573 NZ LYS A 101 5.096 -7.517 8.668 1.00 1.11 N ATOM 0 H LYS A 101 6.803 -5.441 3.339 1.00 0.11 H new ATOM 0 HA LYS A 101 5.302 -3.195 3.973 1.00 0.12 H new ATOM 0 HB2 LYS A 101 4.101 -5.172 3.808 1.00 0.18 H new ATOM 0 HB3 LYS A 101 5.297 -6.108 4.682 1.00 0.18 H new ATOM 0 HG2 LYS A 101 4.265 -4.220 6.541 1.00 0.89 H new ATOM 0 HG3 LYS A 101 2.884 -4.850 5.666 1.00 0.89 H new ATOM 0 HD2 LYS A 101 3.014 -6.525 7.220 1.00 0.75 H new ATOM 0 HD3 LYS A 101 4.187 -7.185 6.097 1.00 0.75 H new ATOM 0 HE2 LYS A 101 6.032 -6.122 7.379 1.00 0.42 H new ATOM 0 HE3 LYS A 101 4.870 -5.419 8.488 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 5.557 -7.314 9.578 1.00 1.11 H new ATOM 0 HZ2 LYS A 101 4.126 -7.851 8.838 1.00 1.11 H new ATOM 0 HZ3 LYS A 101 5.632 -8.253 8.165 1.00 1.11 H new ATOM 1587 N MET A 102 7.064 -4.335 6.540 1.00 0.09 N ATOM 1588 CA MET A 102 7.514 -3.980 7.884 1.00 0.09 C ATOM 1589 C MET A 102 8.309 -2.685 7.835 1.00 0.09 C ATOM 1590 O MET A 102 8.274 -1.885 8.764 1.00 0.12 O ATOM 1591 CB MET A 102 8.372 -5.089 8.509 1.00 0.10 C ATOM 1592 CG MET A 102 9.792 -5.092 7.999 1.00 0.16 C ATOM 1593 SD MET A 102 10.923 -6.054 9.019 1.00 0.88 S ATOM 1594 CE MET A 102 10.491 -7.709 8.506 1.00 1.17 C ATOM 0 H MET A 102 7.405 -5.235 6.201 1.00 0.09 H new ATOM 0 HA MET A 102 6.629 -3.850 8.507 1.00 0.09 H new ATOM 0 HB2 MET A 102 8.381 -4.967 9.592 1.00 0.10 H new ATOM 0 HB3 MET A 102 7.915 -6.056 8.300 1.00 0.10 H new ATOM 0 HG2 MET A 102 9.804 -5.490 6.984 1.00 0.16 H new ATOM 0 HG3 MET A 102 10.151 -4.064 7.943 1.00 0.16 H new ATOM 0 HE1 MET A 102 10.328 -8.332 9.386 1.00 1.17 H new ATOM 0 HE2 MET A 102 9.579 -7.679 7.909 1.00 1.17 H new ATOM 0 HE3 MET A 102 11.301 -8.128 7.909 1.00 1.17 H new ATOM 1604 N THR A 103 9.000 -2.487 6.721 1.00 0.08 N ATOM 1605 CA THR A 103 9.796 -1.302 6.506 1.00 0.08 C ATOM 1606 C THR A 103 8.909 -0.070 6.482 1.00 0.08 C ATOM 1607 O THR A 103 9.138 0.896 7.212 1.00 0.09 O ATOM 1608 CB THR A 103 10.558 -1.414 5.175 1.00 0.10 C ATOM 1609 OG1 THR A 103 11.516 -2.475 5.246 1.00 0.15 O ATOM 1610 CG2 THR A 103 11.255 -0.125 4.838 1.00 0.11 C ATOM 0 H THR A 103 9.020 -3.148 5.944 1.00 0.08 H new ATOM 0 HA THR A 103 10.511 -1.210 7.324 1.00 0.08 H new ATOM 0 HB THR A 103 9.833 -1.629 4.389 1.00 0.10 H new ATOM 0 HG1 THR A 103 11.095 -3.315 4.968 1.00 0.15 H new ATOM 0 HG21 THR A 103 11.785 -0.235 3.892 1.00 0.11 H new ATOM 0 HG22 THR A 103 10.519 0.675 4.751 1.00 0.11 H new ATOM 0 HG23 THR A 103 11.967 0.121 5.626 1.00 0.11 H new ATOM 1618 N LEU A 104 7.880 -0.128 5.656 1.00 0.08 N ATOM 1619 CA LEU A 104 6.981 0.992 5.483 1.00 0.09 C ATOM 1620 C LEU A 104 6.193 1.249 6.750 1.00 0.11 C ATOM 1621 O LEU A 104 6.202 2.353 7.264 1.00 0.13 O ATOM 1622 CB LEU A 104 6.016 0.725 4.330 1.00 0.09 C ATOM 1623 CG LEU A 104 6.653 0.450 2.967 1.00 0.09 C ATOM 1624 CD1 LEU A 104 5.733 -0.379 2.111 1.00 0.11 C ATOM 1625 CD2 LEU A 104 6.966 1.735 2.253 1.00 0.11 C ATOM 0 H LEU A 104 7.648 -0.946 5.092 1.00 0.08 H new ATOM 0 HA LEU A 104 7.581 1.873 5.255 1.00 0.09 H new ATOM 0 HB2 LEU A 104 5.393 -0.129 4.596 1.00 0.09 H new ATOM 0 HB3 LEU A 104 5.353 1.585 4.231 1.00 0.09 H new ATOM 0 HG LEU A 104 7.580 -0.097 3.139 1.00 0.09 H new ATOM 0 HD11 LEU A 104 6.203 -0.564 1.145 1.00 0.11 H new ATOM 0 HD12 LEU A 104 5.534 -1.329 2.606 1.00 0.11 H new ATOM 0 HD13 LEU A 104 4.795 0.156 1.961 1.00 0.11 H new ATOM 0 HD21 LEU A 104 7.418 1.513 1.286 1.00 0.11 H new ATOM 0 HD22 LEU A 104 6.047 2.301 2.102 1.00 0.11 H new ATOM 0 HD23 LEU A 104 7.661 2.324 2.852 1.00 0.11 H new ATOM 1637 N GLN A 105 5.501 0.222 7.226 1.00 0.12 N ATOM 1638 CA GLN A 105 4.713 0.294 8.467 1.00 0.18 C ATOM 1639 C GLN A 105 5.452 1.019 9.588 1.00 0.18 C ATOM 1640 O GLN A 105 4.849 1.771 10.353 1.00 0.22 O ATOM 1641 CB GLN A 105 4.348 -1.093 8.955 1.00 0.28 C ATOM 1642 CG GLN A 105 3.598 -1.900 7.931 1.00 0.39 C ATOM 1643 CD GLN A 105 2.179 -1.433 7.675 1.00 0.64 C ATOM 1644 OE1 GLN A 105 1.836 -0.268 7.872 1.00 1.45 O ATOM 1645 NE2 GLN A 105 1.359 -2.347 7.178 1.00 0.99 N ATOM 0 H GLN A 105 5.465 -0.689 6.768 1.00 0.12 H new ATOM 0 HA GLN A 105 3.814 0.859 8.220 1.00 0.18 H new ATOM 0 HB2 GLN A 105 5.258 -1.625 9.233 1.00 0.28 H new ATOM 0 HB3 GLN A 105 3.741 -1.007 9.856 1.00 0.28 H new ATOM 0 HG2 GLN A 105 4.150 -1.874 6.992 1.00 0.39 H new ATOM 0 HG3 GLN A 105 3.571 -2.940 8.256 1.00 0.39 H new ATOM 0 HE21 GLN A 105 1.688 -3.301 7.032 1.00 0.99 H new ATOM 0 HE22 GLN A 105 0.399 -2.096 6.942 1.00 0.99 H new ATOM 1654 N GLN A 106 6.765 0.806 9.667 1.00 0.17 N ATOM 1655 CA GLN A 106 7.575 1.401 10.712 1.00 0.20 C ATOM 1656 C GLN A 106 7.643 2.900 10.509 1.00 0.20 C ATOM 1657 O GLN A 106 7.647 3.684 11.458 1.00 0.36 O ATOM 1658 CB GLN A 106 8.964 0.796 10.677 1.00 0.25 C ATOM 1659 CG GLN A 106 9.073 -0.547 11.378 1.00 0.30 C ATOM 1660 CD GLN A 106 10.432 -1.192 11.186 1.00 0.38 C ATOM 1661 OE1 GLN A 106 11.444 -0.507 11.036 1.00 0.65 O ATOM 1662 NE2 GLN A 106 10.463 -2.514 11.179 1.00 0.47 N ATOM 0 H GLN A 106 7.286 0.222 9.013 1.00 0.17 H new ATOM 0 HA GLN A 106 7.128 1.201 11.686 1.00 0.20 H new ATOM 0 HB2 GLN A 106 9.271 0.677 9.638 1.00 0.25 H new ATOM 0 HB3 GLN A 106 9.664 1.493 11.139 1.00 0.25 H new ATOM 0 HG2 GLN A 106 8.885 -0.414 12.443 1.00 0.30 H new ATOM 0 HG3 GLN A 106 8.300 -1.215 10.999 1.00 0.30 H new ATOM 0 HE21 GLN A 106 9.602 -3.045 11.307 1.00 0.47 H new ATOM 0 HE22 GLN A 106 11.348 -3.003 11.046 1.00 0.47 H new ATOM 1671 N ILE A 107 7.672 3.269 9.245 1.00 0.13 N ATOM 1672 CA ILE A 107 7.653 4.649 8.810 1.00 0.13 C ATOM 1673 C ILE A 107 6.269 5.251 9.020 1.00 0.14 C ATOM 1674 O ILE A 107 6.127 6.389 9.453 1.00 0.17 O ATOM 1675 CB ILE A 107 7.987 4.717 7.308 1.00 0.13 C ATOM 1676 CG1 ILE A 107 9.383 4.159 7.032 1.00 0.13 C ATOM 1677 CG2 ILE A 107 7.856 6.133 6.794 1.00 0.16 C ATOM 1678 CD1 ILE A 107 9.653 3.881 5.572 1.00 0.14 C ATOM 0 H ILE A 107 7.710 2.602 8.474 1.00 0.13 H new ATOM 0 HA ILE A 107 8.388 5.206 9.391 1.00 0.13 H new ATOM 0 HB ILE A 107 7.269 4.096 6.772 1.00 0.13 H new ATOM 0 HG12 ILE A 107 10.126 4.866 7.401 1.00 0.13 H new ATOM 0 HG13 ILE A 107 9.513 3.236 7.598 1.00 0.13 H new ATOM 0 HG21 ILE A 107 8.096 6.158 5.731 1.00 0.16 H new ATOM 0 HG22 ILE A 107 6.834 6.481 6.943 1.00 0.16 H new ATOM 0 HG23 ILE A 107 8.543 6.782 7.337 1.00 0.16 H new ATOM 0 HD11 ILE A 107 10.663 3.488 5.457 1.00 0.14 H new ATOM 0 HD12 ILE A 107 8.934 3.150 5.202 1.00 0.14 H new ATOM 0 HD13 ILE A 107 9.557 4.805 5.002 1.00 0.14 H new ATOM 1690 N ILE A 108 5.249 4.474 8.704 1.00 0.13 N ATOM 1691 CA ILE A 108 3.874 4.934 8.809 1.00 0.17 C ATOM 1692 C ILE A 108 3.518 5.200 10.265 1.00 0.23 C ATOM 1693 O ILE A 108 3.051 6.283 10.609 1.00 0.29 O ATOM 1694 CB ILE A 108 2.915 3.891 8.200 1.00 0.19 C ATOM 1695 CG1 ILE A 108 3.538 3.351 6.906 1.00 0.18 C ATOM 1696 CG2 ILE A 108 1.538 4.493 7.957 1.00 0.26 C ATOM 1697 CD1 ILE A 108 2.572 3.107 5.774 1.00 0.15 C ATOM 0 H ILE A 108 5.347 3.515 8.370 1.00 0.13 H new ATOM 0 HA ILE A 108 3.771 5.865 8.252 1.00 0.17 H new ATOM 0 HB ILE A 108 2.774 3.065 8.897 1.00 0.19 H new ATOM 0 HG12 ILE A 108 4.297 4.056 6.567 1.00 0.18 H new ATOM 0 HG13 ILE A 108 4.050 2.415 7.132 1.00 0.18 H new ATOM 0 HG21 ILE A 108 0.881 3.737 7.527 1.00 0.26 H new ATOM 0 HG22 ILE A 108 1.121 4.841 8.902 1.00 0.26 H new ATOM 0 HG23 ILE A 108 1.625 5.333 7.267 1.00 0.26 H new ATOM 0 HD11 ILE A 108 3.114 2.727 4.908 1.00 0.15 H new ATOM 0 HD12 ILE A 108 1.825 2.376 6.084 1.00 0.15 H new ATOM 0 HD13 ILE A 108 2.077 4.042 5.510 1.00 0.15 H new ATOM 1709 N SER A 109 3.789 4.221 11.117 1.00 0.28 N ATOM 1710 CA SER A 109 3.601 4.358 12.559 1.00 0.37 C ATOM 1711 C SER A 109 4.436 5.520 13.084 1.00 0.37 C ATOM 1712 O SER A 109 4.076 6.182 14.059 1.00 0.43 O ATOM 1713 CB SER A 109 4.000 3.057 13.264 1.00 0.45 C ATOM 1714 OG SER A 109 3.792 3.137 14.664 1.00 1.22 O ATOM 0 H SER A 109 4.145 3.309 10.831 1.00 0.28 H new ATOM 0 HA SER A 109 2.550 4.560 12.764 1.00 0.37 H new ATOM 0 HB2 SER A 109 3.420 2.229 12.856 1.00 0.45 H new ATOM 0 HB3 SER A 109 5.049 2.841 13.063 1.00 0.45 H new ATOM 0 HG SER A 109 4.055 2.291 15.083 1.00 1.22 H new ATOM 1720 N ARG A 110 5.536 5.778 12.392 1.00 0.33 N ATOM 1721 CA ARG A 110 6.423 6.871 12.716 1.00 0.35 C ATOM 1722 C ARG A 110 5.738 8.200 12.423 1.00 0.38 C ATOM 1723 O ARG A 110 5.859 9.156 13.185 1.00 0.48 O ATOM 1724 CB ARG A 110 7.707 6.731 11.894 1.00 0.34 C ATOM 1725 CG ARG A 110 8.274 8.035 11.417 1.00 1.27 C ATOM 1726 CD ARG A 110 9.543 7.805 10.633 1.00 1.25 C ATOM 1727 NE ARG A 110 10.166 9.055 10.208 1.00 2.39 N ATOM 1728 CZ ARG A 110 11.200 9.126 9.373 1.00 2.70 C ATOM 1729 NH1 ARG A 110 11.736 8.019 8.876 1.00 1.97 N ATOM 1730 NH2 ARG A 110 11.700 10.307 9.040 1.00 3.79 N ATOM 0 H ARG A 110 5.835 5.228 11.586 1.00 0.33 H new ATOM 0 HA ARG A 110 6.673 6.844 13.777 1.00 0.35 H new ATOM 0 HB2 ARG A 110 8.458 6.220 12.497 1.00 0.34 H new ATOM 0 HB3 ARG A 110 7.506 6.097 11.030 1.00 0.34 H new ATOM 0 HG2 ARG A 110 7.543 8.550 10.794 1.00 1.27 H new ATOM 0 HG3 ARG A 110 8.479 8.683 12.269 1.00 1.27 H new ATOM 0 HD2 ARG A 110 10.247 7.240 11.244 1.00 1.25 H new ATOM 0 HD3 ARG A 110 9.321 7.196 9.757 1.00 1.25 H new ATOM 0 HE ARG A 110 9.785 9.928 10.574 1.00 2.39 H new ATOM 0 HH11 ARG A 110 11.356 7.108 9.133 1.00 1.97 H new ATOM 0 HH12 ARG A 110 12.528 8.079 8.236 1.00 1.97 H new ATOM 0 HH21 ARG A 110 11.293 11.160 9.423 1.00 3.79 H new ATOM 0 HH22 ARG A 110 12.492 10.363 8.400 1.00 3.79 H new ATOM 1744 N TYR A 111 4.989 8.238 11.327 1.00 0.34 N ATOM 1745 CA TYR A 111 4.372 9.467 10.880 1.00 0.41 C ATOM 1746 C TYR A 111 3.005 9.670 11.509 1.00 0.49 C ATOM 1747 O TYR A 111 2.489 10.784 11.543 1.00 0.60 O ATOM 1748 CB TYR A 111 4.288 9.503 9.364 1.00 0.37 C ATOM 1749 CG TYR A 111 5.576 9.980 8.744 1.00 0.38 C ATOM 1750 CD1 TYR A 111 5.958 11.313 8.808 1.00 0.48 C ATOM 1751 CD2 TYR A 111 6.413 9.090 8.120 1.00 0.34 C ATOM 1752 CE1 TYR A 111 7.152 11.736 8.253 1.00 0.53 C ATOM 1753 CE2 TYR A 111 7.610 9.496 7.563 1.00 0.40 C ATOM 1754 CZ TYR A 111 7.973 10.820 7.631 1.00 0.48 C ATOM 1755 OH TYR A 111 9.165 11.228 7.077 1.00 0.55 O ATOM 0 H TYR A 111 4.798 7.429 10.736 1.00 0.34 H new ATOM 0 HA TYR A 111 5.003 10.293 11.208 1.00 0.41 H new ATOM 0 HB2 TYR A 111 4.051 8.507 8.989 1.00 0.37 H new ATOM 0 HB3 TYR A 111 3.473 10.160 9.060 1.00 0.37 H new ATOM 0 HD1 TYR A 111 5.314 12.029 9.298 1.00 0.48 H new ATOM 0 HD2 TYR A 111 6.130 8.049 8.063 1.00 0.34 H new ATOM 0 HE1 TYR A 111 7.439 12.776 8.307 1.00 0.53 H new ATOM 0 HE2 TYR A 111 8.256 8.779 7.078 1.00 0.40 H new ATOM 0 HH TYR A 111 9.813 10.494 7.117 1.00 0.55 H new ATOM 1765 N LYS A 112 2.426 8.589 12.012 1.00 0.51 N ATOM 1766 CA LYS A 112 1.173 8.672 12.752 1.00 0.63 C ATOM 1767 C LYS A 112 1.438 9.196 14.151 1.00 0.67 C ATOM 1768 O LYS A 112 0.558 9.763 14.797 1.00 0.77 O ATOM 1769 CB LYS A 112 0.489 7.308 12.803 1.00 0.72 C ATOM 1770 CG LYS A 112 0.023 6.837 11.442 1.00 0.76 C ATOM 1771 CD LYS A 112 0.273 5.354 11.269 1.00 0.65 C ATOM 1772 CE LYS A 112 -0.577 4.513 12.198 1.00 1.28 C ATOM 1773 NZ LYS A 112 -2.013 4.515 11.814 1.00 1.76 N ATOM 0 H LYS A 112 2.802 7.645 11.922 1.00 0.51 H new ATOM 0 HA LYS A 112 0.503 9.363 12.240 1.00 0.63 H new ATOM 0 HB2 LYS A 112 1.180 6.575 13.220 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -0.366 7.360 13.477 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -1.040 7.047 11.324 1.00 0.76 H new ATOM 0 HG3 LYS A 112 0.545 7.391 10.662 1.00 0.76 H new ATOM 0 HD2 LYS A 112 0.067 5.072 10.237 1.00 0.65 H new ATOM 0 HD3 LYS A 112 1.326 5.142 11.453 1.00 0.65 H new ATOM 0 HE2 LYS A 112 -0.205 3.488 12.197 1.00 1.28 H new ATOM 0 HE3 LYS A 112 -0.476 4.888 13.217 1.00 1.28 H new ATOM 0 HZ1 LYS A 112 -2.534 3.847 12.417 1.00 1.76 H new ATOM 0 HZ2 LYS A 112 -2.404 5.471 11.938 1.00 1.76 H new ATOM 0 HZ3 LYS A 112 -2.107 4.229 10.819 1.00 1.76 H new ATOM 1787 N ASP A 113 2.670 9.008 14.606 1.00 0.64 N ATOM 1788 CA ASP A 113 3.118 9.586 15.864 1.00 0.72 C ATOM 1789 C ASP A 113 3.227 11.096 15.727 1.00 0.72 C ATOM 1790 O ASP A 113 3.089 11.840 16.697 1.00 0.80 O ATOM 1791 CB ASP A 113 4.470 8.998 16.273 1.00 0.78 C ATOM 1792 CG ASP A 113 5.035 9.643 17.523 1.00 1.16 C ATOM 1793 OD1 ASP A 113 4.615 9.267 18.637 1.00 1.18 O ATOM 1794 OD2 ASP A 113 5.918 10.516 17.402 1.00 1.56 O ATOM 0 H ASP A 113 3.378 8.458 14.120 1.00 0.64 H new ATOM 0 HA ASP A 113 2.389 9.347 16.638 1.00 0.72 H new ATOM 0 HB2 ASP A 113 4.360 7.927 16.440 1.00 0.78 H new ATOM 0 HB3 ASP A 113 5.178 9.122 15.454 1.00 0.78 H new ATOM 1799 N ALA A 114 3.437 11.538 14.499 1.00 0.68 N ATOM 1800 CA ALA A 114 3.610 12.953 14.210 1.00 0.76 C ATOM 1801 C ALA A 114 2.492 13.459 13.311 1.00 0.86 C ATOM 1802 O ALA A 114 2.669 14.414 12.551 1.00 1.09 O ATOM 1803 CB ALA A 114 4.961 13.194 13.559 1.00 0.82 C ATOM 0 H ALA A 114 3.492 10.933 13.680 1.00 0.68 H new ATOM 0 HA ALA A 114 3.569 13.504 15.150 1.00 0.76 H new ATOM 0 HB1 ALA A 114 5.079 14.257 13.348 1.00 0.82 H new ATOM 0 HB2 ALA A 114 5.753 12.868 14.233 1.00 0.82 H new ATOM 0 HB3 ALA A 114 5.022 12.630 12.628 1.00 0.82 H new ATOM 1809 N ASP A 115 1.344 12.807 13.398 1.00 0.85 N ATOM 1810 CA ASP A 115 0.193 13.170 12.590 1.00 1.01 C ATOM 1811 C ASP A 115 -0.754 14.049 13.388 1.00 1.32 C ATOM 1812 O ASP A 115 -0.799 15.266 13.125 1.00 2.16 O ATOM 1813 CB ASP A 115 -0.535 11.919 12.101 1.00 1.00 C ATOM 1814 CG ASP A 115 -1.780 12.246 11.305 1.00 1.24 C ATOM 1815 OD1 ASP A 115 -1.668 12.937 10.272 1.00 1.51 O ATOM 1816 OD2 ASP A 115 -2.875 11.792 11.692 1.00 1.39 O ATOM 1817 OXT ASP A 115 -1.413 13.530 14.310 1.00 1.44 O ATOM 0 H ASP A 115 1.185 12.018 14.025 1.00 0.85 H new ATOM 0 HA ASP A 115 0.544 13.728 11.722 1.00 1.01 H new ATOM 0 HB2 ASP A 115 0.141 11.327 11.484 1.00 1.00 H new ATOM 0 HB3 ASP A 115 -0.807 11.303 12.958 1.00 1.00 H new TER 1822 ASP A 115 ATOM 1823 N GLY B 242 -20.099 -8.054 -5.003 1.00 25.39 N ATOM 1824 CA GLY B 242 -20.690 -7.039 -4.103 1.00 25.32 C ATOM 1825 C GLY B 242 -21.975 -6.474 -4.655 1.00 24.90 C ATOM 1826 O GLY B 242 -22.737 -7.178 -5.322 1.00 24.93 O ATOM 0 HA2 GLY B 242 -20.880 -7.486 -3.127 1.00 25.32 H new ATOM 0 HA3 GLY B 242 -19.975 -6.231 -3.949 1.00 25.32 H new ATOM 1832 N GLY B 243 -22.210 -5.200 -4.392 1.00 24.60 N ATOM 1833 CA GLY B 243 -23.419 -4.558 -4.851 1.00 24.30 C ATOM 1834 C GLY B 243 -24.442 -4.434 -3.745 1.00 23.95 C ATOM 1835 O GLY B 243 -24.269 -5.004 -2.665 1.00 23.75 O ATOM 0 H GLY B 243 -21.579 -4.596 -3.865 1.00 24.60 H new ATOM 0 HA2 GLY B 243 -23.180 -3.568 -5.238 1.00 24.30 H new ATOM 0 HA3 GLY B 243 -23.843 -5.129 -5.677 1.00 24.30 H new ATOM 1839 N GLY B 244 -25.502 -3.690 -4.007 1.00 23.97 N ATOM 1840 CA GLY B 244 -26.533 -3.499 -3.015 1.00 23.78 C ATOM 1841 C GLY B 244 -27.917 -3.601 -3.613 1.00 23.46 C ATOM 1842 O GLY B 244 -28.079 -3.507 -4.833 1.00 23.62 O ATOM 0 H GLY B 244 -25.667 -3.213 -4.893 1.00 23.97 H new ATOM 0 HA2 GLY B 244 -26.422 -4.245 -2.228 1.00 23.78 H new ATOM 0 HA3 GLY B 244 -26.411 -2.522 -2.548 1.00 23.78 H new ATOM 1846 N GLY B 245 -28.912 -3.800 -2.766 1.00 23.13 N ATOM 1847 CA GLY B 245 -30.275 -3.908 -3.238 1.00 22.92 C ATOM 1848 C GLY B 245 -30.821 -5.313 -3.095 1.00 22.70 C ATOM 1849 O GLY B 245 -31.828 -5.663 -3.717 1.00 22.72 O ATOM 0 H GLY B 245 -28.800 -3.889 -1.756 1.00 23.13 H new ATOM 0 HA2 GLY B 245 -30.906 -3.216 -2.680 1.00 22.92 H new ATOM 0 HA3 GLY B 245 -30.320 -3.608 -4.285 1.00 22.92 H new ATOM 1853 N TYR B 246 -30.166 -6.122 -2.274 1.00 22.59 N ATOM 1854 CA TYR B 246 -30.592 -7.498 -2.064 1.00 22.48 C ATOM 1855 C TYR B 246 -30.341 -7.925 -0.621 1.00 22.02 C ATOM 1856 O TYR B 246 -29.706 -7.201 0.147 1.00 22.35 O ATOM 1857 CB TYR B 246 -29.893 -8.449 -3.053 1.00 23.22 C ATOM 1858 CG TYR B 246 -28.378 -8.474 -2.965 1.00 23.55 C ATOM 1859 CD1 TYR B 246 -27.606 -7.472 -3.542 1.00 23.67 C ATOM 1860 CD2 TYR B 246 -27.721 -9.512 -2.316 1.00 23.87 C ATOM 1861 CE1 TYR B 246 -26.227 -7.503 -3.471 1.00 24.09 C ATOM 1862 CE2 TYR B 246 -26.342 -9.549 -2.240 1.00 24.29 C ATOM 1863 CZ TYR B 246 -25.598 -8.543 -2.819 1.00 24.40 C ATOM 1864 OH TYR B 246 -24.224 -8.570 -2.737 1.00 24.92 O ATOM 0 H TYR B 246 -29.339 -5.850 -1.743 1.00 22.59 H new ATOM 0 HA TYR B 246 -31.664 -7.554 -2.251 1.00 22.48 H new ATOM 0 HB2 TYR B 246 -30.267 -9.459 -2.887 1.00 23.22 H new ATOM 0 HB3 TYR B 246 -30.177 -8.166 -4.067 1.00 23.22 H new ATOM 0 HD1 TYR B 246 -28.093 -6.655 -4.054 1.00 23.67 H new ATOM 0 HD2 TYR B 246 -28.299 -10.304 -1.863 1.00 23.87 H new ATOM 0 HE1 TYR B 246 -25.643 -6.716 -3.924 1.00 24.09 H new ATOM 0 HE2 TYR B 246 -25.849 -10.363 -1.729 1.00 24.29 H new ATOM 0 HH TYR B 246 -23.840 -8.156 -3.538 1.00 24.92 H new ATOM 1874 N ASP B 247 -30.843 -9.096 -0.260 1.00 21.35 N ATOM 1875 CA ASP B 247 -30.736 -9.592 1.106 1.00 20.95 C ATOM 1876 C ASP B 247 -29.325 -10.064 1.387 1.00 20.12 C ATOM 1877 O ASP B 247 -28.675 -10.631 0.509 1.00 19.68 O ATOM 1878 CB ASP B 247 -31.724 -10.732 1.357 1.00 20.82 C ATOM 1879 CG ASP B 247 -33.162 -10.261 1.404 1.00 21.19 C ATOM 1880 OD1 ASP B 247 -33.628 -9.865 2.494 1.00 21.36 O ATOM 1881 OD2 ASP B 247 -33.837 -10.294 0.353 1.00 21.40 O ATOM 0 H ASP B 247 -31.332 -9.725 -0.897 1.00 21.35 H new ATOM 0 HA ASP B 247 -30.979 -8.770 1.780 1.00 20.95 H new ATOM 0 HB2 ASP B 247 -31.617 -11.480 0.571 1.00 20.82 H new ATOM 0 HB3 ASP B 247 -31.476 -11.222 2.299 1.00 20.82 H new ATOM 1886 N VAL B 248 -28.874 -9.819 2.619 1.00 20.03 N ATOM 1887 CA VAL B 248 -27.510 -10.112 3.064 1.00 19.37 C ATOM 1888 C VAL B 248 -26.480 -9.662 2.019 1.00 18.15 C ATOM 1889 O VAL B 248 -25.512 -10.360 1.708 1.00 17.73 O ATOM 1890 CB VAL B 248 -27.321 -11.607 3.481 1.00 19.95 C ATOM 1891 CG1 VAL B 248 -27.404 -12.570 2.304 1.00 20.02 C ATOM 1892 CG2 VAL B 248 -26.017 -11.798 4.243 1.00 20.37 C ATOM 0 H VAL B 248 -29.456 -9.405 3.347 1.00 20.03 H new ATOM 0 HA VAL B 248 -27.334 -9.529 3.968 1.00 19.37 H new ATOM 0 HB VAL B 248 -28.154 -11.850 4.140 1.00 19.95 H new ATOM 0 HG11 VAL B 248 -27.265 -13.591 2.659 1.00 20.02 H new ATOM 0 HG12 VAL B 248 -28.381 -12.481 1.829 1.00 20.02 H new ATOM 0 HG13 VAL B 248 -26.625 -12.328 1.580 1.00 20.02 H new ATOM 0 HG21 VAL B 248 -25.909 -12.846 4.522 1.00 20.37 H new ATOM 0 HG22 VAL B 248 -25.180 -11.502 3.611 1.00 20.37 H new ATOM 0 HG23 VAL B 248 -26.028 -11.182 5.142 1.00 20.37 H new ATOM 1902 N GLU B 249 -26.722 -8.475 1.466 1.00 17.68 N ATOM 1903 CA GLU B 249 -25.793 -7.857 0.527 1.00 16.58 C ATOM 1904 C GLU B 249 -24.427 -7.633 1.168 1.00 15.78 C ATOM 1905 O GLU B 249 -24.285 -7.670 2.391 1.00 15.94 O ATOM 1906 CB GLU B 249 -26.361 -6.533 -0.002 1.00 16.66 C ATOM 1907 CG GLU B 249 -26.746 -5.538 1.080 1.00 15.82 C ATOM 1908 CD GLU B 249 -27.425 -4.306 0.515 1.00 16.11 C ATOM 1909 OE1 GLU B 249 -28.401 -4.461 -0.246 1.00 16.39 O ATOM 1910 OE2 GLU B 249 -27.001 -3.177 0.841 1.00 16.16 O ATOM 0 H GLU B 249 -27.558 -7.921 1.654 1.00 17.68 H new ATOM 0 HA GLU B 249 -25.663 -8.540 -0.312 1.00 16.58 H new ATOM 0 HB2 GLU B 249 -25.623 -6.071 -0.657 1.00 16.66 H new ATOM 0 HB3 GLU B 249 -27.239 -6.746 -0.612 1.00 16.66 H new ATOM 0 HG2 GLU B 249 -27.412 -6.022 1.794 1.00 15.82 H new ATOM 0 HG3 GLU B 249 -25.853 -5.238 1.629 1.00 15.82 H new ATOM 1917 N MET B 250 -23.428 -7.393 0.335 1.00 15.05 N ATOM 1918 CA MET B 250 -22.060 -7.234 0.808 1.00 14.34 C ATOM 1919 C MET B 250 -21.505 -5.910 0.323 1.00 13.28 C ATOM 1920 O MET B 250 -20.319 -5.783 0.011 1.00 12.74 O ATOM 1921 CB MET B 250 -21.174 -8.390 0.333 1.00 14.93 C ATOM 1922 CG MET B 250 -21.519 -9.725 0.976 1.00 15.52 C ATOM 1923 SD MET B 250 -20.398 -11.046 0.475 1.00 16.05 S ATOM 1924 CE MET B 250 -21.038 -12.414 1.439 1.00 16.80 C ATOM 0 H MET B 250 -23.538 -7.304 -0.675 1.00 15.05 H new ATOM 0 HA MET B 250 -22.066 -7.245 1.898 1.00 14.34 H new ATOM 0 HB2 MET B 250 -21.263 -8.484 -0.749 1.00 14.93 H new ATOM 0 HB3 MET B 250 -20.133 -8.151 0.548 1.00 14.93 H new ATOM 0 HG2 MET B 250 -21.489 -9.620 2.061 1.00 15.52 H new ATOM 0 HG3 MET B 250 -22.540 -9.999 0.710 1.00 15.52 H new ATOM 0 HE1 MET B 250 -20.448 -13.308 1.238 1.00 16.80 H new ATOM 0 HE2 MET B 250 -20.979 -12.171 2.500 1.00 16.80 H new ATOM 0 HE3 MET B 250 -22.077 -12.597 1.166 1.00 16.80 H new ATOM 1934 N GLU B 251 -22.386 -4.929 0.254 1.00 13.13 N ATOM 1935 CA GLU B 251 -22.016 -3.594 -0.167 1.00 12.32 C ATOM 1936 C GLU B 251 -21.031 -3.002 0.833 1.00 11.39 C ATOM 1937 O GLU B 251 -21.135 -3.265 2.030 1.00 11.50 O ATOM 1938 CB GLU B 251 -23.266 -2.729 -0.282 1.00 12.74 C ATOM 1939 CG GLU B 251 -23.324 -1.892 -1.552 1.00 12.69 C ATOM 1940 CD GLU B 251 -22.127 -0.982 -1.719 1.00 13.07 C ATOM 1941 OE1 GLU B 251 -21.076 -1.459 -2.191 1.00 13.21 O ATOM 1942 OE2 GLU B 251 -22.223 0.212 -1.369 1.00 13.35 O ATOM 0 H GLU B 251 -23.373 -5.036 0.487 1.00 13.13 H new ATOM 0 HA GLU B 251 -21.535 -3.632 -1.144 1.00 12.32 H new ATOM 0 HB2 GLU B 251 -24.145 -3.372 -0.242 1.00 12.74 H new ATOM 0 HB3 GLU B 251 -23.317 -2.065 0.581 1.00 12.74 H new ATOM 0 HG2 GLU B 251 -23.392 -2.555 -2.414 1.00 12.69 H new ATOM 0 HG3 GLU B 251 -24.232 -1.289 -1.542 1.00 12.69 H new ATOM 1949 N SER B 252 -20.075 -2.239 0.314 1.00 10.65 N ATOM 1950 CA SER B 252 -18.959 -1.648 1.077 1.00 9.85 C ATOM 1951 C SER B 252 -17.991 -2.721 1.605 1.00 8.78 C ATOM 1952 O SER B 252 -16.780 -2.514 1.615 1.00 7.90 O ATOM 1953 CB SER B 252 -19.444 -0.730 2.219 1.00 10.04 C ATOM 1954 OG SER B 252 -19.949 -1.456 3.326 1.00 10.66 O ATOM 0 H SER B 252 -20.046 -2.002 -0.678 1.00 10.65 H new ATOM 0 HA SER B 252 -18.410 -1.022 0.373 1.00 9.85 H new ATOM 0 HB2 SER B 252 -18.618 -0.100 2.549 1.00 10.04 H new ATOM 0 HB3 SER B 252 -20.221 -0.065 1.841 1.00 10.04 H new ATOM 0 HG SER B 252 -20.729 -1.979 3.046 1.00 10.66 H new ATOM 1960 N GLU B 253 -18.520 -3.865 2.027 1.00 9.06 N ATOM 1961 CA GLU B 253 -17.690 -4.969 2.500 1.00 8.41 C ATOM 1962 C GLU B 253 -16.833 -5.520 1.367 1.00 7.74 C ATOM 1963 O GLU B 253 -15.685 -5.914 1.576 1.00 6.93 O ATOM 1964 CB GLU B 253 -18.564 -6.086 3.071 1.00 9.32 C ATOM 1965 CG GLU B 253 -19.329 -5.689 4.320 1.00 9.85 C ATOM 1966 CD GLU B 253 -20.256 -6.785 4.805 1.00 10.54 C ATOM 1967 OE1 GLU B 253 -19.764 -7.886 5.143 1.00 11.03 O ATOM 1968 OE2 GLU B 253 -21.481 -6.554 4.850 1.00 10.75 O ATOM 0 H GLU B 253 -19.522 -4.053 2.051 1.00 9.06 H new ATOM 0 HA GLU B 253 -17.036 -4.589 3.285 1.00 8.41 H new ATOM 0 HB2 GLU B 253 -19.274 -6.405 2.308 1.00 9.32 H new ATOM 0 HB3 GLU B 253 -17.934 -6.946 3.300 1.00 9.32 H new ATOM 0 HG2 GLU B 253 -18.622 -5.439 5.111 1.00 9.85 H new ATOM 0 HG3 GLU B 253 -19.910 -4.790 4.116 1.00 9.85 H new ATOM 1975 N GLU B 254 -17.398 -5.528 0.166 1.00 8.32 N ATOM 1976 CA GLU B 254 -16.736 -6.040 -1.008 1.00 8.15 C ATOM 1977 C GLU B 254 -15.439 -5.282 -1.295 1.00 7.31 C ATOM 1978 O GLU B 254 -14.396 -5.897 -1.516 1.00 6.99 O ATOM 1979 CB GLU B 254 -17.715 -5.920 -2.166 1.00 9.33 C ATOM 1980 CG GLU B 254 -17.151 -6.258 -3.519 1.00 10.25 C ATOM 1981 CD GLU B 254 -16.810 -7.726 -3.679 1.00 10.57 C ATOM 1982 OE1 GLU B 254 -17.737 -8.539 -3.873 1.00 10.61 O ATOM 1983 OE2 GLU B 254 -15.613 -8.071 -3.637 1.00 10.94 O ATOM 0 H GLU B 254 -18.338 -5.174 -0.013 1.00 8.32 H new ATOM 0 HA GLU B 254 -16.451 -7.081 -0.857 1.00 8.15 H new ATOM 0 HB2 GLU B 254 -18.565 -6.573 -1.971 1.00 9.33 H new ATOM 0 HB3 GLU B 254 -18.097 -4.899 -2.194 1.00 9.33 H new ATOM 0 HG2 GLU B 254 -17.872 -5.974 -4.286 1.00 10.25 H new ATOM 0 HG3 GLU B 254 -16.253 -5.663 -3.689 1.00 10.25 H new ATOM 1990 N GLU B 255 -15.499 -3.954 -1.268 1.00 7.27 N ATOM 1991 CA GLU B 255 -14.331 -3.137 -1.577 1.00 6.83 C ATOM 1992 C GLU B 255 -13.288 -3.216 -0.467 1.00 5.68 C ATOM 1993 O GLU B 255 -12.088 -3.175 -0.730 1.00 5.42 O ATOM 1994 CB GLU B 255 -14.738 -1.684 -1.842 1.00 7.52 C ATOM 1995 CG GLU B 255 -15.280 -0.961 -0.624 1.00 8.71 C ATOM 1996 CD GLU B 255 -14.263 -0.034 0.017 1.00 9.38 C ATOM 1997 OE1 GLU B 255 -14.086 1.095 -0.486 1.00 9.82 O ATOM 1998 OE2 GLU B 255 -13.636 -0.427 1.024 1.00 9.65 O ATOM 0 H GLU B 255 -16.339 -3.423 -1.037 1.00 7.27 H new ATOM 0 HA GLU B 255 -13.878 -3.535 -2.485 1.00 6.83 H new ATOM 0 HB2 GLU B 255 -13.873 -1.139 -2.220 1.00 7.52 H new ATOM 0 HB3 GLU B 255 -15.494 -1.667 -2.627 1.00 7.52 H new ATOM 0 HG2 GLU B 255 -16.159 -0.384 -0.912 1.00 8.71 H new ATOM 0 HG3 GLU B 255 -15.608 -1.695 0.111 1.00 8.71 H new ATOM 2005 N SER B 256 -13.745 -3.346 0.767 1.00 5.35 N ATOM 2006 CA SER B 256 -12.841 -3.415 1.909 1.00 4.55 C ATOM 2007 C SER B 256 -12.115 -4.760 1.962 1.00 4.09 C ATOM 2008 O SER B 256 -10.944 -4.838 2.329 1.00 4.17 O ATOM 2009 CB SER B 256 -13.620 -3.179 3.201 1.00 4.73 C ATOM 2010 OG SER B 256 -14.337 -1.957 3.140 1.00 5.13 O ATOM 0 H SER B 256 -14.735 -3.406 1.006 1.00 5.35 H new ATOM 0 HA SER B 256 -12.087 -2.636 1.797 1.00 4.55 H new ATOM 0 HB2 SER B 256 -14.312 -4.004 3.370 1.00 4.73 H new ATOM 0 HB3 SER B 256 -12.933 -3.161 4.047 1.00 4.73 H new ATOM 0 HG SER B 256 -13.947 -1.383 2.448 1.00 5.13 H new ATOM 2016 N ASP B 257 -12.812 -5.820 1.580 1.00 4.14 N ATOM 2017 CA ASP B 257 -12.228 -7.156 1.588 1.00 4.42 C ATOM 2018 C ASP B 257 -11.545 -7.441 0.251 1.00 4.11 C ATOM 2019 O ASP B 257 -10.953 -8.498 0.046 1.00 4.54 O ATOM 2020 CB ASP B 257 -13.311 -8.201 1.866 1.00 5.14 C ATOM 2021 CG ASP B 257 -12.742 -9.566 2.206 1.00 5.67 C ATOM 2022 OD1 ASP B 257 -12.315 -9.765 3.364 1.00 6.20 O ATOM 2023 OD2 ASP B 257 -12.733 -10.449 1.324 1.00 5.89 O ATOM 0 H ASP B 257 -13.780 -5.783 1.261 1.00 4.14 H new ATOM 0 HA ASP B 257 -11.480 -7.209 2.379 1.00 4.42 H new ATOM 0 HB2 ASP B 257 -13.936 -7.858 2.690 1.00 5.14 H new ATOM 0 HB3 ASP B 257 -13.956 -8.289 0.992 1.00 5.14 H new ATOM 2028 N ASP B 258 -11.620 -6.467 -0.650 1.00 3.83 N ATOM 2029 CA ASP B 258 -11.088 -6.610 -2.006 1.00 4.02 C ATOM 2030 C ASP B 258 -9.564 -6.681 -2.009 1.00 3.23 C ATOM 2031 O ASP B 258 -8.962 -7.278 -2.908 1.00 3.61 O ATOM 2032 CB ASP B 258 -11.563 -5.441 -2.874 1.00 4.65 C ATOM 2033 CG ASP B 258 -11.119 -5.556 -4.316 1.00 5.54 C ATOM 2034 OD1 ASP B 258 -11.565 -6.492 -5.009 1.00 5.91 O ATOM 2035 OD2 ASP B 258 -10.328 -4.705 -4.768 1.00 6.14 O ATOM 0 H ASP B 258 -12.048 -5.560 -0.465 1.00 3.83 H new ATOM 0 HA ASP B 258 -11.462 -7.547 -2.418 1.00 4.02 H new ATOM 0 HB2 ASP B 258 -12.651 -5.388 -2.838 1.00 4.65 H new ATOM 0 HB3 ASP B 258 -11.184 -4.508 -2.456 1.00 4.65 H new ATOM 2040 N ASP B 259 -8.947 -6.079 -1.002 1.00 2.42 N ATOM 2041 CA ASP B 259 -7.494 -6.063 -0.893 1.00 1.79 C ATOM 2042 C ASP B 259 -6.959 -7.465 -0.662 1.00 1.13 C ATOM 2043 O ASP B 259 -6.123 -7.958 -1.419 1.00 1.31 O ATOM 2044 CB ASP B 259 -7.038 -5.149 0.250 1.00 1.99 C ATOM 2045 CG ASP B 259 -7.467 -3.712 0.058 1.00 2.65 C ATOM 2046 OD1 ASP B 259 -8.644 -3.402 0.333 1.00 3.32 O ATOM 2047 OD2 ASP B 259 -6.634 -2.883 -0.364 1.00 3.05 O ATOM 0 H ASP B 259 -9.431 -5.594 -0.247 1.00 2.42 H new ATOM 0 HA ASP B 259 -7.098 -5.677 -1.832 1.00 1.79 H new ATOM 0 HB2 ASP B 259 -7.443 -5.522 1.191 1.00 1.99 H new ATOM 0 HB3 ASP B 259 -5.952 -5.191 0.332 1.00 1.99 H new ATOM 2052 N GLY B 260 -7.462 -8.109 0.384 1.00 0.78 N ATOM 2053 CA GLY B 260 -7.005 -9.438 0.729 1.00 0.59 C ATOM 2054 C GLY B 260 -5.780 -9.395 1.618 1.00 0.57 C ATOM 2055 O GLY B 260 -5.093 -10.400 1.804 1.00 0.84 O ATOM 0 H GLY B 260 -8.181 -7.731 1.001 1.00 0.78 H new ATOM 0 HA2 GLY B 260 -7.805 -9.978 1.237 1.00 0.59 H new ATOM 0 HA3 GLY B 260 -6.775 -9.992 -0.181 1.00 0.59 H new ATOM 2059 N PHE B 261 -5.509 -8.218 2.169 1.00 0.48 N ATOM 2060 CA PHE B 261 -4.302 -7.986 2.943 1.00 0.48 C ATOM 2061 C PHE B 261 -4.642 -7.649 4.387 1.00 0.66 C ATOM 2062 O PHE B 261 -5.810 -7.576 4.763 1.00 0.95 O ATOM 2063 CB PHE B 261 -3.505 -6.822 2.354 1.00 0.50 C ATOM 2064 CG PHE B 261 -3.332 -6.864 0.865 1.00 0.46 C ATOM 2065 CD1 PHE B 261 -3.167 -8.063 0.196 1.00 0.44 C ATOM 2066 CD2 PHE B 261 -3.351 -5.696 0.133 1.00 0.67 C ATOM 2067 CE1 PHE B 261 -3.023 -8.093 -1.174 1.00 0.51 C ATOM 2068 CE2 PHE B 261 -3.212 -5.718 -1.236 1.00 0.75 C ATOM 2069 CZ PHE B 261 -3.047 -6.917 -1.893 1.00 0.62 C ATOM 0 H PHE B 261 -6.118 -7.403 2.091 1.00 0.48 H new ATOM 0 HA PHE B 261 -3.710 -8.900 2.909 1.00 0.48 H new ATOM 0 HB2 PHE B 261 -4.001 -5.889 2.621 1.00 0.50 H new ATOM 0 HB3 PHE B 261 -2.519 -6.803 2.819 1.00 0.50 H new ATOM 0 HD1 PHE B 261 -3.151 -8.987 0.754 1.00 0.44 H new ATOM 0 HD2 PHE B 261 -3.477 -4.751 0.641 1.00 0.67 H new ATOM 0 HE1 PHE B 261 -2.892 -9.036 -1.684 1.00 0.51 H new ATOM 0 HE2 PHE B 261 -3.232 -4.794 -1.795 1.00 0.75 H new ATOM 0 HZ PHE B 261 -2.937 -6.936 -2.967 1.00 0.62 H new ATOM 2079 N VAL B 262 -3.608 -7.438 5.185 1.00 0.55 N ATOM 2080 CA VAL B 262 -3.765 -6.965 6.547 1.00 0.67 C ATOM 2081 C VAL B 262 -2.749 -5.857 6.813 1.00 0.54 C ATOM 2082 O VAL B 262 -1.646 -5.873 6.258 1.00 0.50 O ATOM 2083 CB VAL B 262 -3.582 -8.110 7.574 1.00 0.84 C ATOM 2084 CG1 VAL B 262 -2.156 -8.644 7.556 1.00 1.37 C ATOM 2085 CG2 VAL B 262 -3.965 -7.647 8.972 1.00 1.14 C ATOM 0 H VAL B 262 -2.639 -7.590 4.906 1.00 0.55 H new ATOM 0 HA VAL B 262 -4.778 -6.579 6.663 1.00 0.67 H new ATOM 0 HB VAL B 262 -4.248 -8.924 7.287 1.00 0.84 H new ATOM 0 HG11 VAL B 262 -2.059 -9.446 8.287 1.00 1.37 H new ATOM 0 HG12 VAL B 262 -1.924 -9.028 6.563 1.00 1.37 H new ATOM 0 HG13 VAL B 262 -1.463 -7.840 7.805 1.00 1.37 H new ATOM 0 HG21 VAL B 262 -3.829 -8.467 9.677 1.00 1.14 H new ATOM 0 HG22 VAL B 262 -3.332 -6.809 9.264 1.00 1.14 H new ATOM 0 HG23 VAL B 262 -5.009 -7.333 8.978 1.00 1.14 H new ATOM 2095 N GLU B 263 -3.132 -4.875 7.611 1.00 0.57 N ATOM 2096 CA GLU B 263 -2.218 -3.811 7.983 1.00 0.55 C ATOM 2097 C GLU B 263 -1.505 -4.163 9.277 1.00 0.56 C ATOM 2098 O GLU B 263 -2.081 -4.786 10.170 1.00 0.62 O ATOM 2099 CB GLU B 263 -2.952 -2.463 8.095 1.00 0.73 C ATOM 2100 CG GLU B 263 -4.140 -2.456 9.047 1.00 1.21 C ATOM 2101 CD GLU B 263 -3.813 -1.874 10.409 1.00 1.73 C ATOM 2102 OE1 GLU B 263 -3.750 -0.634 10.524 1.00 2.20 O ATOM 2103 OE2 GLU B 263 -3.644 -2.651 11.376 1.00 2.24 O ATOM 0 H GLU B 263 -4.066 -4.793 8.012 1.00 0.57 H new ATOM 0 HA GLU B 263 -1.469 -3.706 7.198 1.00 0.55 H new ATOM 0 HB2 GLU B 263 -2.240 -1.704 8.420 1.00 0.73 H new ATOM 0 HB3 GLU B 263 -3.298 -2.171 7.103 1.00 0.73 H new ATOM 0 HG2 GLU B 263 -4.952 -1.883 8.600 1.00 1.21 H new ATOM 0 HG3 GLU B 263 -4.502 -3.476 9.173 1.00 1.21 H new ATOM 2110 N VAL B 264 -0.235 -3.806 9.353 1.00 0.65 N ATOM 2111 CA VAL B 264 0.554 -4.057 10.544 1.00 0.82 C ATOM 2112 C VAL B 264 0.760 -2.763 11.311 1.00 1.08 C ATOM 2113 O VAL B 264 1.562 -1.911 10.925 1.00 1.31 O ATOM 2114 CB VAL B 264 1.919 -4.687 10.202 1.00 1.01 C ATOM 2115 CG1 VAL B 264 2.731 -4.945 11.466 1.00 1.41 C ATOM 2116 CG2 VAL B 264 1.720 -5.977 9.425 1.00 1.31 C ATOM 0 H VAL B 264 0.272 -3.340 8.601 1.00 0.65 H new ATOM 0 HA VAL B 264 0.005 -4.767 11.163 1.00 0.82 H new ATOM 0 HB VAL B 264 2.476 -3.985 9.581 1.00 1.01 H new ATOM 0 HG11 VAL B 264 3.690 -5.390 11.198 1.00 1.41 H new ATOM 0 HG12 VAL B 264 2.901 -4.003 11.988 1.00 1.41 H new ATOM 0 HG13 VAL B 264 2.184 -5.627 12.117 1.00 1.41 H new ATOM 0 HG21 VAL B 264 2.691 -6.413 9.189 1.00 1.31 H new ATOM 0 HG22 VAL B 264 1.144 -6.679 10.027 1.00 1.31 H new ATOM 0 HG23 VAL B 264 1.183 -5.766 8.500 1.00 1.31 H new ATOM 2126 N ASP B 265 0.020 -2.624 12.391 1.00 1.21 N ATOM 2127 CA ASP B 265 0.057 -1.422 13.199 1.00 1.59 C ATOM 2128 C ASP B 265 -0.013 -1.786 14.668 1.00 1.83 C ATOM 2129 O ASP B 265 -1.080 -2.257 15.112 1.00 2.02 O ATOM 2130 CB ASP B 265 -1.097 -0.490 12.831 1.00 1.75 C ATOM 2131 CG ASP B 265 -1.101 0.776 13.662 1.00 2.35 C ATOM 2132 OD1 ASP B 265 -0.364 1.717 13.311 1.00 3.04 O ATOM 2133 OD2 ASP B 265 -1.843 0.838 14.666 1.00 2.67 O ATOM 2134 OXT ASP B 265 1.000 -1.613 15.375 1.00 2.32 O ATOM 0 H ASP B 265 -0.623 -3.338 12.733 1.00 1.21 H new ATOM 0 HA ASP B 265 0.994 -0.900 13.005 1.00 1.59 H new ATOM 0 HB2 ASP B 265 -1.027 -0.229 11.775 1.00 1.75 H new ATOM 0 HB3 ASP B 265 -2.043 -1.015 12.968 1.00 1.75 H new TER 2139 ASP B 265