USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 647 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 Single : A 1 GLY N :NH3+ -118:sc= 0.0991 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.635 K(o=-0.64,f=-4!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= -0.014 (180deg=-0.228) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.527 K(o=-0.53,f=-3.6!) USER MOD Single : A 24 LYS NZ :NH3+ 156:sc= 0.909 (180deg=-0.214) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -0.0081 (180deg=-0.161) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -70:sc= 0.976 USER MOD Single : A 40 ASN : amide:sc= 0.093 K(o=0.093,f=-5.2!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.11 F(o=-1.1,f=-0.11) USER MOD Single : A 71 THR OG1 : rot 120:sc= -0.742 USER MOD Single : A 77 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.4!) USER MOD Single : A 80 LYS NZ :NH3+ -157:sc= 0.927 (180deg=0.226) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.435) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.918 3.088 -6.087 1.00 52.34 N ATOM 2 CA GLY A 1 2.227 4.361 -6.181 1.00 44.21 C ATOM 3 C GLY A 1 3.039 5.505 -5.605 1.00 72.31 C ATOM 4 O GLY A 1 4.161 5.322 -5.133 1.00 62.24 O ATOM 0 H1 GLY A 1 3.084 2.712 -7.042 1.00 52.34 H new ATOM 0 H2 GLY A 1 3.830 3.223 -5.605 1.00 52.34 H new ATOM 0 H3 GLY A 1 2.336 2.416 -5.547 1.00 52.34 H new ATOM 0 HA2 GLY A 1 1.999 4.571 -7.226 1.00 44.21 H new ATOM 0 HA3 GLY A 1 1.275 4.294 -5.655 1.00 44.21 H new ATOM 8 N PRO A 2 2.467 6.718 -5.641 1.00 25.31 N ATOM 9 CA PRO A 2 3.128 7.920 -5.124 1.00 24.45 C ATOM 10 C PRO A 2 3.242 7.910 -3.603 1.00 35.21 C ATOM 11 O PRO A 2 2.776 6.983 -2.942 1.00 72.40 O ATOM 12 CB PRO A 2 2.211 9.055 -5.584 1.00 51.02 C ATOM 13 CG PRO A 2 0.872 8.421 -5.740 1.00 30.32 C ATOM 14 CD PRO A 2 1.132 7.009 -6.189 1.00 1.33 C ATOM 0 HA PRO A 2 4.153 8.009 -5.485 1.00 24.45 H new ATOM 0 HB2 PRO A 2 2.184 9.863 -4.853 1.00 51.02 H new ATOM 0 HB3 PRO A 2 2.556 9.487 -6.523 1.00 51.02 H new ATOM 0 HG2 PRO A 2 0.321 8.436 -4.800 1.00 30.32 H new ATOM 0 HG3 PRO A 2 0.269 8.958 -6.472 1.00 30.32 H new ATOM 0 HD2 PRO A 2 0.380 6.320 -5.804 1.00 1.33 H new ATOM 0 HD3 PRO A 2 1.116 6.923 -7.276 1.00 1.33 H new ATOM 22 N GLY A 3 3.863 8.949 -3.053 1.00 64.25 N ATOM 23 CA GLY A 3 4.026 9.040 -1.614 1.00 70.32 C ATOM 24 C GLY A 3 5.186 8.205 -1.108 1.00 14.21 C ATOM 25 O GLY A 3 5.209 7.805 0.056 1.00 64.42 O ATOM 0 H GLY A 3 4.256 9.730 -3.579 1.00 64.25 H new ATOM 0 HA2 GLY A 3 4.183 10.082 -1.334 1.00 70.32 H new ATOM 0 HA3 GLY A 3 3.107 8.714 -1.126 1.00 70.32 H new ATOM 29 N SER A 4 6.150 7.941 -1.984 1.00 74.11 N ATOM 30 CA SER A 4 7.315 7.144 -1.621 1.00 22.42 C ATOM 31 C SER A 4 8.501 8.040 -1.277 1.00 51.11 C ATOM 32 O SER A 4 9.025 7.995 -0.164 1.00 55.43 O ATOM 33 CB SER A 4 7.690 6.199 -2.765 1.00 1.24 C ATOM 34 OG SER A 4 6.791 5.107 -2.840 1.00 35.13 O ATOM 0 H SER A 4 6.147 8.268 -2.950 1.00 74.11 H new ATOM 0 HA SER A 4 7.060 6.554 -0.741 1.00 22.42 H new ATOM 0 HB2 SER A 4 7.684 6.745 -3.709 1.00 1.24 H new ATOM 0 HB3 SER A 4 8.705 5.829 -2.618 1.00 1.24 H new ATOM 0 HG SER A 4 7.051 4.519 -3.580 1.00 35.13 H new ATOM 40 N MET A 5 8.919 8.854 -2.241 1.00 74.44 N ATOM 41 CA MET A 5 10.042 9.762 -2.041 1.00 72.02 C ATOM 42 C MET A 5 9.790 11.098 -2.733 1.00 2.24 C ATOM 43 O MET A 5 8.723 11.321 -3.304 1.00 73.32 O ATOM 44 CB MET A 5 11.333 9.135 -2.571 1.00 51.42 C ATOM 45 CG MET A 5 11.594 7.737 -2.036 1.00 72.31 C ATOM 46 SD MET A 5 12.900 6.881 -2.937 1.00 61.32 S ATOM 47 CE MET A 5 14.157 6.749 -1.668 1.00 10.40 C ATOM 0 H MET A 5 8.497 8.903 -3.168 1.00 74.44 H new ATOM 0 HA MET A 5 10.147 9.941 -0.971 1.00 72.02 H new ATOM 0 HB2 MET A 5 11.288 9.096 -3.659 1.00 51.42 H new ATOM 0 HB3 MET A 5 12.173 9.778 -2.309 1.00 51.42 H new ATOM 0 HG2 MET A 5 11.866 7.800 -0.982 1.00 72.31 H new ATOM 0 HG3 MET A 5 10.675 7.153 -2.093 1.00 72.31 H new ATOM 0 HE1 MET A 5 15.031 6.240 -2.074 1.00 10.40 H new ATOM 0 HE2 MET A 5 14.441 7.746 -1.332 1.00 10.40 H new ATOM 0 HE3 MET A 5 13.765 6.180 -0.825 1.00 10.40 H new ATOM 57 N ASP A 6 10.779 11.984 -2.676 1.00 72.32 N ATOM 58 CA ASP A 6 10.665 13.298 -3.298 1.00 35.11 C ATOM 59 C ASP A 6 10.386 13.170 -4.792 1.00 70.23 C ATOM 60 O ASP A 6 9.852 14.087 -5.415 1.00 24.21 O ATOM 61 CB ASP A 6 11.944 14.105 -3.072 1.00 52.33 C ATOM 62 CG ASP A 6 12.249 14.307 -1.601 1.00 64.21 C ATOM 63 OD1 ASP A 6 12.740 13.353 -0.961 1.00 0.23 O ATOM 64 OD2 ASP A 6 11.999 15.418 -1.090 1.00 52.24 O ATOM 0 H ASP A 6 11.668 11.816 -2.205 1.00 72.32 H new ATOM 0 HA ASP A 6 9.828 13.821 -2.835 1.00 35.11 H new ATOM 0 HB2 ASP A 6 12.781 13.594 -3.547 1.00 52.33 H new ATOM 0 HB3 ASP A 6 11.848 15.076 -3.557 1.00 52.33 H new ATOM 69 N ASN A 7 10.752 12.026 -5.361 1.00 63.14 N ATOM 70 CA ASN A 7 10.543 11.778 -6.783 1.00 43.44 C ATOM 71 C ASN A 7 9.104 12.090 -7.184 1.00 65.20 C ATOM 72 O ASN A 7 8.861 12.847 -8.124 1.00 71.40 O ATOM 73 CB ASN A 7 10.876 10.324 -7.124 1.00 11.35 C ATOM 74 CG ASN A 7 12.346 10.006 -6.928 1.00 12.41 C ATOM 75 OD1 ASN A 7 13.034 10.658 -6.142 1.00 32.32 O ATOM 76 ND2 ASN A 7 12.834 9.001 -7.645 1.00 31.34 N ATOM 0 H ASN A 7 11.195 11.256 -4.859 1.00 63.14 H new ATOM 0 HA ASN A 7 11.208 12.436 -7.342 1.00 43.44 H new ATOM 0 HB2 ASN A 7 10.277 9.661 -6.499 1.00 11.35 H new ATOM 0 HB3 ASN A 7 10.599 10.124 -8.159 1.00 11.35 H new ATOM 0 HD21 ASN A 7 13.816 8.741 -7.557 1.00 31.34 H new ATOM 0 HD22 ASN A 7 12.226 8.488 -8.284 1.00 31.34 H new ATOM 83 N ASP A 8 8.155 11.502 -6.464 1.00 64.43 N ATOM 84 CA ASP A 8 6.740 11.717 -6.743 1.00 43.10 C ATOM 85 C ASP A 8 6.202 12.897 -5.940 1.00 51.21 C ATOM 86 O ASP A 8 4.991 13.099 -5.852 1.00 22.31 O ATOM 87 CB ASP A 8 5.937 10.456 -6.420 1.00 63.05 C ATOM 88 CG ASP A 8 6.685 9.186 -6.777 1.00 42.40 C ATOM 89 OD1 ASP A 8 6.772 8.867 -7.981 1.00 74.53 O ATOM 90 OD2 ASP A 8 7.185 8.513 -5.852 1.00 11.01 O ATOM 0 H ASP A 8 8.340 10.873 -5.683 1.00 64.43 H new ATOM 0 HA ASP A 8 6.634 11.943 -7.804 1.00 43.10 H new ATOM 0 HB2 ASP A 8 5.695 10.445 -5.357 1.00 63.05 H new ATOM 0 HB3 ASP A 8 4.992 10.482 -6.962 1.00 63.05 H new ATOM 95 N GLU A 9 7.110 13.673 -5.356 1.00 20.41 N ATOM 96 CA GLU A 9 6.725 14.831 -4.559 1.00 0.33 C ATOM 97 C GLU A 9 6.962 16.126 -5.331 1.00 75.00 C ATOM 98 O GLU A 9 6.334 17.149 -5.055 1.00 5.13 O ATOM 99 CB GLU A 9 7.509 14.858 -3.245 1.00 62.30 C ATOM 100 CG GLU A 9 6.881 15.739 -2.179 1.00 33.24 C ATOM 101 CD GLU A 9 7.801 15.969 -0.995 1.00 74.33 C ATOM 102 OE1 GLU A 9 8.879 16.567 -1.191 1.00 2.43 O ATOM 103 OE2 GLU A 9 7.443 15.550 0.125 1.00 13.24 O ATOM 0 H GLU A 9 8.116 13.520 -5.420 1.00 20.41 H new ATOM 0 HA GLU A 9 5.661 14.749 -4.337 1.00 0.33 H new ATOM 0 HB2 GLU A 9 7.593 13.841 -2.861 1.00 62.30 H new ATOM 0 HB3 GLU A 9 8.522 15.208 -3.443 1.00 62.30 H new ATOM 0 HG2 GLU A 9 6.614 16.700 -2.618 1.00 33.24 H new ATOM 0 HG3 GLU A 9 5.956 15.279 -1.831 1.00 33.24 H new ATOM 110 N ILE A 10 7.870 16.073 -6.299 1.00 23.11 N ATOM 111 CA ILE A 10 8.189 17.240 -7.111 1.00 44.33 C ATOM 112 C ILE A 10 6.982 17.689 -7.927 1.00 14.43 C ATOM 113 O ILE A 10 6.550 18.839 -7.836 1.00 24.00 O ATOM 114 CB ILE A 10 9.363 16.957 -8.067 1.00 44.20 C ATOM 115 CG1 ILE A 10 10.604 16.536 -7.276 1.00 15.42 C ATOM 116 CG2 ILE A 10 9.662 18.183 -8.917 1.00 54.13 C ATOM 117 CD1 ILE A 10 11.440 15.489 -7.976 1.00 64.12 C ATOM 0 H ILE A 10 8.398 15.234 -6.540 1.00 23.11 H new ATOM 0 HA ILE A 10 8.475 18.035 -6.422 1.00 44.33 H new ATOM 0 HB ILE A 10 9.082 16.139 -8.730 1.00 44.20 H new ATOM 0 HG12 ILE A 10 11.220 17.415 -7.088 1.00 15.42 H new ATOM 0 HG13 ILE A 10 10.293 16.151 -6.305 1.00 15.42 H new ATOM 0 HG21 ILE A 10 10.494 17.967 -9.587 1.00 54.13 H new ATOM 0 HG22 ILE A 10 8.781 18.442 -9.504 1.00 54.13 H new ATOM 0 HG23 ILE A 10 9.926 19.019 -8.269 1.00 54.13 H new ATOM 0 HD11 ILE A 10 12.302 15.239 -7.358 1.00 64.12 H new ATOM 0 HD12 ILE A 10 10.840 14.594 -8.140 1.00 64.12 H new ATOM 0 HD13 ILE A 10 11.782 15.878 -8.935 1.00 64.12 H new ATOM 129 N PHE A 11 6.438 16.774 -8.722 1.00 44.14 N ATOM 130 CA PHE A 11 5.279 17.075 -9.554 1.00 11.11 C ATOM 131 C PHE A 11 4.021 17.217 -8.702 1.00 52.11 C ATOM 132 O PHE A 11 3.121 17.991 -9.029 1.00 1.12 O ATOM 133 CB PHE A 11 5.078 15.979 -10.602 1.00 33.41 C ATOM 134 CG PHE A 11 4.281 14.808 -10.100 1.00 4.23 C ATOM 135 CD1 PHE A 11 4.803 13.961 -9.136 1.00 24.24 C ATOM 136 CD2 PHE A 11 3.011 14.556 -10.591 1.00 71.32 C ATOM 137 CE1 PHE A 11 4.073 12.883 -8.673 1.00 20.25 C ATOM 138 CE2 PHE A 11 2.276 13.479 -10.131 1.00 55.45 C ATOM 139 CZ PHE A 11 2.807 12.642 -9.170 1.00 41.51 C ATOM 0 H PHE A 11 6.781 15.817 -8.808 1.00 44.14 H new ATOM 0 HA PHE A 11 5.463 18.022 -10.061 1.00 11.11 H new ATOM 0 HB2 PHE A 11 4.575 16.405 -11.470 1.00 33.41 H new ATOM 0 HB3 PHE A 11 6.053 15.627 -10.939 1.00 33.41 H new ATOM 0 HD1 PHE A 11 5.792 14.145 -8.742 1.00 24.24 H new ATOM 0 HD2 PHE A 11 2.590 15.208 -11.342 1.00 71.32 H new ATOM 0 HE1 PHE A 11 4.492 12.229 -7.923 1.00 20.25 H new ATOM 0 HE2 PHE A 11 1.287 13.293 -10.523 1.00 55.45 H new ATOM 0 HZ PHE A 11 2.234 11.801 -8.808 1.00 41.51 H new ATOM 149 N SER A 12 3.966 16.464 -7.609 1.00 33.45 N ATOM 150 CA SER A 12 2.817 16.501 -6.711 1.00 52.34 C ATOM 151 C SER A 12 2.753 17.831 -5.966 1.00 21.11 C ATOM 152 O SER A 12 1.681 18.412 -5.798 1.00 34.30 O ATOM 153 CB SER A 12 2.886 15.346 -5.711 1.00 71.32 C ATOM 154 OG SER A 12 1.740 15.323 -4.878 1.00 10.42 O ATOM 0 H SER A 12 4.704 15.820 -7.323 1.00 33.45 H new ATOM 0 HA SER A 12 1.914 16.397 -7.312 1.00 52.34 H new ATOM 0 HB2 SER A 12 2.968 14.401 -6.248 1.00 71.32 H new ATOM 0 HB3 SER A 12 3.782 15.444 -5.099 1.00 71.32 H new ATOM 0 HG SER A 12 1.808 14.575 -4.249 1.00 10.42 H new ATOM 160 N LYS A 13 3.910 18.308 -5.520 1.00 44.02 N ATOM 161 CA LYS A 13 3.989 19.570 -4.793 1.00 64.53 C ATOM 162 C LYS A 13 3.718 20.750 -5.721 1.00 20.23 C ATOM 163 O LYS A 13 2.961 21.659 -5.380 1.00 21.22 O ATOM 164 CB LYS A 13 5.367 19.723 -4.145 1.00 62.11 C ATOM 165 CG LYS A 13 5.521 21.001 -3.338 1.00 61.35 C ATOM 166 CD LYS A 13 4.724 20.944 -2.046 1.00 61.40 C ATOM 167 CE LYS A 13 5.099 22.081 -1.109 1.00 5.30 C ATOM 168 NZ LYS A 13 6.476 21.921 -0.565 1.00 65.33 N ATOM 0 H LYS A 13 4.807 17.839 -5.649 1.00 44.02 H new ATOM 0 HA LYS A 13 3.227 19.561 -4.014 1.00 64.53 H new ATOM 0 HB2 LYS A 13 5.550 18.868 -3.494 1.00 62.11 H new ATOM 0 HB3 LYS A 13 6.130 19.700 -4.923 1.00 62.11 H new ATOM 0 HG2 LYS A 13 6.574 21.164 -3.110 1.00 61.35 H new ATOM 0 HG3 LYS A 13 5.189 21.851 -3.934 1.00 61.35 H new ATOM 0 HD2 LYS A 13 3.659 20.994 -2.272 1.00 61.40 H new ATOM 0 HD3 LYS A 13 4.900 19.989 -1.550 1.00 61.40 H new ATOM 0 HE2 LYS A 13 5.027 23.029 -1.642 1.00 5.30 H new ATOM 0 HE3 LYS A 13 4.386 22.123 -0.286 1.00 5.30 H new ATOM 0 HZ1 LYS A 13 6.593 22.532 0.269 1.00 65.33 H new ATOM 0 HZ2 LYS A 13 6.628 20.929 -0.292 1.00 65.33 H new ATOM 0 HZ3 LYS A 13 7.170 22.190 -1.291 1.00 65.33 H new ATOM 182 N VAL A 14 4.340 20.729 -6.896 1.00 33.35 N ATOM 183 CA VAL A 14 4.163 21.796 -7.873 1.00 71.32 C ATOM 184 C VAL A 14 2.737 21.817 -8.412 1.00 31.11 C ATOM 185 O VAL A 14 2.148 22.882 -8.596 1.00 51.12 O ATOM 186 CB VAL A 14 5.143 21.645 -9.052 1.00 0.02 C ATOM 187 CG1 VAL A 14 4.922 22.748 -10.075 1.00 54.51 C ATOM 188 CG2 VAL A 14 6.580 21.650 -8.553 1.00 62.30 C ATOM 0 H VAL A 14 4.971 19.985 -7.194 1.00 33.35 H new ATOM 0 HA VAL A 14 4.367 22.734 -7.357 1.00 71.32 H new ATOM 0 HB VAL A 14 4.954 20.688 -9.539 1.00 0.02 H new ATOM 0 HG11 VAL A 14 5.623 22.625 -10.900 1.00 54.51 H new ATOM 0 HG12 VAL A 14 3.902 22.693 -10.455 1.00 54.51 H new ATOM 0 HG13 VAL A 14 5.082 23.718 -9.605 1.00 54.51 H new ATOM 0 HG21 VAL A 14 7.259 21.542 -9.399 1.00 62.30 H new ATOM 0 HG22 VAL A 14 6.784 22.590 -8.041 1.00 62.30 H new ATOM 0 HG23 VAL A 14 6.728 20.821 -7.861 1.00 62.30 H new ATOM 198 N ARG A 15 2.187 20.633 -8.662 1.00 42.12 N ATOM 199 CA ARG A 15 0.830 20.515 -9.181 1.00 13.34 C ATOM 200 C ARG A 15 -0.191 20.955 -8.136 1.00 15.53 C ATOM 201 O ARG A 15 -1.163 21.641 -8.453 1.00 52.21 O ATOM 202 CB ARG A 15 0.548 19.074 -9.609 1.00 52.13 C ATOM 203 CG ARG A 15 -0.776 18.903 -10.335 1.00 75.52 C ATOM 204 CD ARG A 15 -0.653 19.252 -11.810 1.00 2.41 C ATOM 205 NE ARG A 15 0.411 18.496 -12.465 1.00 31.44 N ATOM 206 CZ ARG A 15 0.730 18.634 -13.747 1.00 15.43 C ATOM 207 NH1 ARG A 15 0.070 19.497 -14.508 1.00 31.05 N ATOM 208 NH2 ARG A 15 1.710 17.910 -14.270 1.00 62.21 N ATOM 0 H ARG A 15 2.661 19.742 -8.513 1.00 42.12 H new ATOM 0 HA ARG A 15 0.742 21.168 -10.049 1.00 13.34 H new ATOM 0 HB2 ARG A 15 1.355 18.732 -10.257 1.00 52.13 H new ATOM 0 HB3 ARG A 15 0.554 18.434 -8.727 1.00 52.13 H new ATOM 0 HG2 ARG A 15 -1.119 17.873 -10.231 1.00 75.52 H new ATOM 0 HG3 ARG A 15 -1.531 19.538 -9.872 1.00 75.52 H new ATOM 0 HD2 ARG A 15 -1.601 19.052 -12.310 1.00 2.41 H new ATOM 0 HD3 ARG A 15 -0.457 20.319 -11.915 1.00 2.41 H new ATOM 0 HE ARG A 15 0.939 17.825 -11.907 1.00 31.44 H new ATOM 0 HH11 ARG A 15 -0.684 20.056 -14.109 1.00 31.05 H new ATOM 0 HH12 ARG A 15 0.317 19.601 -15.492 1.00 31.05 H new ATOM 0 HH21 ARG A 15 2.220 17.246 -13.688 1.00 62.21 H new ATOM 0 HH22 ARG A 15 1.954 18.017 -15.255 1.00 62.21 H new ATOM 222 N SER A 16 0.036 20.556 -6.889 1.00 31.25 N ATOM 223 CA SER A 16 -0.866 20.905 -5.797 1.00 53.15 C ATOM 224 C SER A 16 -1.082 22.414 -5.733 1.00 4.15 C ATOM 225 O SER A 16 -2.099 22.885 -5.224 1.00 53.43 O ATOM 226 CB SER A 16 -0.309 20.400 -4.465 1.00 41.32 C ATOM 227 OG SER A 16 -1.180 20.719 -3.394 1.00 53.11 O ATOM 0 H SER A 16 0.837 19.990 -6.609 1.00 31.25 H new ATOM 0 HA SER A 16 -1.827 20.426 -5.985 1.00 53.15 H new ATOM 0 HB2 SER A 16 -0.167 19.320 -4.513 1.00 41.32 H new ATOM 0 HB3 SER A 16 0.671 20.843 -4.286 1.00 41.32 H new ATOM 0 HG SER A 16 -0.802 20.384 -2.554 1.00 53.11 H new ATOM 233 N ILE A 17 -0.116 23.166 -6.251 1.00 32.13 N ATOM 234 CA ILE A 17 -0.200 24.621 -6.253 1.00 1.11 C ATOM 235 C ILE A 17 -1.300 25.107 -7.191 1.00 2.14 C ATOM 236 O ILE A 17 -2.188 25.858 -6.785 1.00 62.34 O ATOM 237 CB ILE A 17 1.137 25.261 -6.672 1.00 53.14 C ATOM 238 CG1 ILE A 17 2.254 24.832 -5.719 1.00 11.52 C ATOM 239 CG2 ILE A 17 1.011 26.777 -6.703 1.00 5.02 C ATOM 240 CD1 ILE A 17 3.640 24.988 -6.304 1.00 2.03 C ATOM 0 H ILE A 17 0.733 22.792 -6.674 1.00 32.13 H new ATOM 0 HA ILE A 17 -0.435 24.925 -5.233 1.00 1.11 H new ATOM 0 HB ILE A 17 1.390 24.917 -7.675 1.00 53.14 H new ATOM 0 HG12 ILE A 17 2.186 25.421 -4.804 1.00 11.52 H new ATOM 0 HG13 ILE A 17 2.102 23.790 -5.439 1.00 11.52 H new ATOM 0 HG21 ILE A 17 1.964 27.215 -7.001 1.00 5.02 H new ATOM 0 HG22 ILE A 17 0.240 27.063 -7.419 1.00 5.02 H new ATOM 0 HG23 ILE A 17 0.739 27.140 -5.712 1.00 5.02 H new ATOM 0 HD11 ILE A 17 4.382 24.665 -5.573 1.00 2.03 H new ATOM 0 HD12 ILE A 17 3.726 24.378 -7.203 1.00 2.03 H new ATOM 0 HD13 ILE A 17 3.812 26.034 -6.558 1.00 2.03 H new ATOM 252 N ILE A 18 -1.235 24.673 -8.445 1.00 32.33 N ATOM 253 CA ILE A 18 -2.227 25.061 -9.439 1.00 54.22 C ATOM 254 C ILE A 18 -3.534 24.301 -9.238 1.00 60.13 C ATOM 255 O ILE A 18 -4.611 24.801 -9.561 1.00 53.40 O ATOM 256 CB ILE A 18 -1.717 24.813 -10.871 1.00 22.32 C ATOM 257 CG1 ILE A 18 -1.550 23.313 -11.123 1.00 25.12 C ATOM 258 CG2 ILE A 18 -0.402 25.544 -11.098 1.00 71.55 C ATOM 259 CD1 ILE A 18 -1.080 22.984 -12.523 1.00 12.03 C ATOM 0 H ILE A 18 -0.506 24.053 -8.796 1.00 32.33 H new ATOM 0 HA ILE A 18 -2.406 26.128 -9.306 1.00 54.22 H new ATOM 0 HB ILE A 18 -2.452 25.201 -11.576 1.00 22.32 H new ATOM 0 HG12 ILE A 18 -0.836 22.909 -10.405 1.00 25.12 H new ATOM 0 HG13 ILE A 18 -2.502 22.814 -10.941 1.00 25.12 H new ATOM 0 HG21 ILE A 18 -0.054 25.359 -12.114 1.00 71.55 H new ATOM 0 HG22 ILE A 18 -0.551 26.614 -10.954 1.00 71.55 H new ATOM 0 HG23 ILE A 18 0.342 25.183 -10.388 1.00 71.55 H new ATOM 0 HD11 ILE A 18 -0.984 21.904 -12.630 1.00 12.03 H new ATOM 0 HD12 ILE A 18 -1.804 23.357 -13.247 1.00 12.03 H new ATOM 0 HD13 ILE A 18 -0.113 23.454 -12.702 1.00 12.03 H new ATOM 271 N SER A 19 -3.431 23.089 -8.701 1.00 43.45 N ATOM 272 CA SER A 19 -4.604 22.258 -8.459 1.00 11.32 C ATOM 273 C SER A 19 -5.682 23.043 -7.718 1.00 0.45 C ATOM 274 O SER A 19 -6.874 22.786 -7.880 1.00 72.02 O ATOM 275 CB SER A 19 -4.218 21.016 -7.654 1.00 63.10 C ATOM 276 OG SER A 19 -5.343 20.470 -6.988 1.00 22.43 O ATOM 0 H SER A 19 -2.547 22.661 -8.425 1.00 43.45 H new ATOM 0 HA SER A 19 -5.004 21.947 -9.424 1.00 11.32 H new ATOM 0 HB2 SER A 19 -3.786 20.268 -8.319 1.00 63.10 H new ATOM 0 HB3 SER A 19 -3.450 21.275 -6.925 1.00 63.10 H new ATOM 0 HG SER A 19 -5.070 19.676 -6.482 1.00 22.43 H new ATOM 282 N GLU A 20 -5.252 24.002 -6.903 1.00 53.20 N ATOM 283 CA GLU A 20 -6.180 24.825 -6.136 1.00 34.43 C ATOM 284 C GLU A 20 -7.026 25.696 -7.059 1.00 54.24 C ATOM 285 O GLU A 20 -8.230 25.847 -6.855 1.00 55.31 O ATOM 286 CB GLU A 20 -5.417 25.705 -5.144 1.00 23.40 C ATOM 287 CG GLU A 20 -6.051 25.759 -3.764 1.00 73.15 C ATOM 288 CD GLU A 20 -5.567 26.939 -2.945 1.00 44.44 C ATOM 289 OE1 GLU A 20 -4.634 27.634 -3.401 1.00 52.13 O ATOM 290 OE2 GLU A 20 -6.119 27.169 -1.849 1.00 61.53 O ATOM 0 H GLU A 20 -4.268 24.228 -6.757 1.00 53.20 H new ATOM 0 HA GLU A 20 -6.844 24.160 -5.584 1.00 34.43 H new ATOM 0 HB2 GLU A 20 -4.397 25.333 -5.051 1.00 23.40 H new ATOM 0 HB3 GLU A 20 -5.352 26.717 -5.544 1.00 23.40 H new ATOM 0 HG2 GLU A 20 -7.135 25.814 -3.868 1.00 73.15 H new ATOM 0 HG3 GLU A 20 -5.829 24.835 -3.230 1.00 73.15 H new ATOM 297 N GLN A 21 -6.386 26.267 -8.075 1.00 13.33 N ATOM 298 CA GLN A 21 -7.079 27.125 -9.029 1.00 35.23 C ATOM 299 C GLN A 21 -7.724 26.297 -10.136 1.00 12.51 C ATOM 300 O GLN A 21 -8.921 26.420 -10.400 1.00 41.25 O ATOM 301 CB GLN A 21 -6.108 28.140 -9.634 1.00 30.31 C ATOM 302 CG GLN A 21 -6.797 29.327 -10.287 1.00 72.21 C ATOM 303 CD GLN A 21 -7.392 30.286 -9.275 1.00 4.12 C ATOM 304 OE1 GLN A 21 -7.597 29.933 -8.113 1.00 65.42 O ATOM 305 NE2 GLN A 21 -7.672 31.509 -9.711 1.00 21.40 N ATOM 0 H GLN A 21 -5.389 26.151 -8.258 1.00 13.33 H new ATOM 0 HA GLN A 21 -7.865 27.659 -8.495 1.00 35.23 H new ATOM 0 HB2 GLN A 21 -5.441 28.503 -8.852 1.00 30.31 H new ATOM 0 HB3 GLN A 21 -5.486 27.638 -10.376 1.00 30.31 H new ATOM 0 HG2 GLN A 21 -6.079 29.861 -10.910 1.00 72.21 H new ATOM 0 HG3 GLN A 21 -7.586 28.966 -10.947 1.00 72.21 H new ATOM 0 HE21 GLN A 21 -7.486 31.759 -10.682 1.00 21.40 H new ATOM 0 HE22 GLN A 21 -8.073 32.198 -9.075 1.00 21.40 H new ATOM 314 N LEU A 22 -6.924 25.455 -10.780 1.00 51.44 N ATOM 315 CA LEU A 22 -7.417 24.607 -11.860 1.00 44.13 C ATOM 316 C LEU A 22 -8.471 23.631 -11.348 1.00 55.55 C ATOM 317 O LEU A 22 -9.393 23.260 -12.076 1.00 11.54 O ATOM 318 CB LEU A 22 -6.259 23.836 -12.498 1.00 53.30 C ATOM 319 CG LEU A 22 -5.505 24.560 -13.613 1.00 44.44 C ATOM 320 CD1 LEU A 22 -5.055 25.937 -13.148 1.00 30.43 C ATOM 321 CD2 LEU A 22 -4.312 23.735 -14.073 1.00 63.02 C ATOM 0 H LEU A 22 -5.932 25.341 -10.574 1.00 51.44 H new ATOM 0 HA LEU A 22 -7.877 25.248 -12.612 1.00 44.13 H new ATOM 0 HB2 LEU A 22 -5.547 23.576 -11.715 1.00 53.30 H new ATOM 0 HB3 LEU A 22 -6.649 22.900 -12.898 1.00 53.30 H new ATOM 0 HG LEU A 22 -6.181 24.688 -14.458 1.00 44.44 H new ATOM 0 HD11 LEU A 22 -4.520 26.437 -13.955 1.00 30.43 H new ATOM 0 HD12 LEU A 22 -5.926 26.529 -12.869 1.00 30.43 H new ATOM 0 HD13 LEU A 22 -4.396 25.833 -12.286 1.00 30.43 H new ATOM 0 HD21 LEU A 22 -3.787 24.266 -14.867 1.00 63.02 H new ATOM 0 HD22 LEU A 22 -3.635 23.575 -13.234 1.00 63.02 H new ATOM 0 HD23 LEU A 22 -4.658 22.772 -14.448 1.00 63.02 H new ATOM 333 N ASP A 23 -8.331 23.222 -10.093 1.00 21.43 N ATOM 334 CA ASP A 23 -9.274 22.292 -9.482 1.00 24.41 C ATOM 335 C ASP A 23 -9.272 20.955 -10.217 1.00 23.11 C ATOM 336 O ASP A 23 -10.282 20.252 -10.252 1.00 23.42 O ATOM 337 CB ASP A 23 -10.683 22.886 -9.483 1.00 3.31 C ATOM 338 CG ASP A 23 -11.586 22.236 -8.453 1.00 51.53 C ATOM 339 OD1 ASP A 23 -11.143 21.267 -7.803 1.00 4.20 O ATOM 340 OD2 ASP A 23 -12.737 22.697 -8.298 1.00 60.55 O ATOM 0 H ASP A 23 -7.574 23.519 -9.478 1.00 21.43 H new ATOM 0 HA ASP A 23 -8.961 22.121 -8.452 1.00 24.41 H new ATOM 0 HB2 ASP A 23 -10.623 23.956 -9.286 1.00 3.31 H new ATOM 0 HB3 ASP A 23 -11.123 22.769 -10.473 1.00 3.31 H new ATOM 345 N LYS A 24 -8.131 20.610 -10.805 1.00 0.34 N ATOM 346 CA LYS A 24 -7.996 19.358 -11.539 1.00 50.14 C ATOM 347 C LYS A 24 -7.258 18.315 -10.706 1.00 44.34 C ATOM 348 O LYS A 24 -6.876 18.574 -9.565 1.00 3.11 O ATOM 349 CB LYS A 24 -7.253 19.593 -12.857 1.00 12.44 C ATOM 350 CG LYS A 24 -8.008 20.482 -13.830 1.00 42.21 C ATOM 351 CD LYS A 24 -7.406 20.419 -15.224 1.00 11.31 C ATOM 352 CE LYS A 24 -5.947 20.849 -15.221 1.00 60.20 C ATOM 353 NZ LYS A 24 -5.026 19.683 -15.124 1.00 62.21 N ATOM 0 H LYS A 24 -7.286 21.181 -10.787 1.00 0.34 H new ATOM 0 HA LYS A 24 -8.996 18.983 -11.755 1.00 50.14 H new ATOM 0 HB2 LYS A 24 -6.284 20.044 -12.643 1.00 12.44 H new ATOM 0 HB3 LYS A 24 -7.059 18.631 -13.332 1.00 12.44 H new ATOM 0 HG2 LYS A 24 -9.053 20.175 -13.870 1.00 42.21 H new ATOM 0 HG3 LYS A 24 -7.992 21.511 -13.472 1.00 42.21 H new ATOM 0 HD2 LYS A 24 -7.486 19.403 -15.611 1.00 11.31 H new ATOM 0 HD3 LYS A 24 -7.974 21.062 -15.896 1.00 11.31 H new ATOM 0 HE2 LYS A 24 -5.731 21.408 -16.132 1.00 60.20 H new ATOM 0 HE3 LYS A 24 -5.769 21.523 -14.383 1.00 60.20 H new ATOM 0 HZ1 LYS A 24 -4.099 19.939 -15.521 1.00 62.21 H new ATOM 0 HZ2 LYS A 24 -4.913 19.412 -14.126 1.00 62.21 H new ATOM 0 HZ3 LYS A 24 -5.422 18.883 -15.657 1.00 62.21 H new ATOM 367 N LYS A 25 -7.058 17.136 -11.285 1.00 33.23 N ATOM 368 CA LYS A 25 -6.363 16.054 -10.597 1.00 70.15 C ATOM 369 C LYS A 25 -4.932 15.916 -11.108 1.00 74.32 C ATOM 370 O LYS A 25 -4.685 15.982 -12.312 1.00 2.54 O ATOM 371 CB LYS A 25 -7.114 14.734 -10.789 1.00 51.43 C ATOM 372 CG LYS A 25 -8.242 14.526 -9.794 1.00 54.50 C ATOM 373 CD LYS A 25 -9.505 15.255 -10.222 1.00 52.04 C ATOM 374 CE LYS A 25 -10.207 14.531 -11.361 1.00 14.01 C ATOM 375 NZ LYS A 25 -10.830 13.256 -10.908 1.00 4.35 N ATOM 0 H LYS A 25 -7.367 16.905 -12.229 1.00 33.23 H new ATOM 0 HA LYS A 25 -6.330 16.294 -9.534 1.00 70.15 H new ATOM 0 HB2 LYS A 25 -7.521 14.701 -11.799 1.00 51.43 H new ATOM 0 HB3 LYS A 25 -6.408 13.908 -10.703 1.00 51.43 H new ATOM 0 HG2 LYS A 25 -8.451 13.461 -9.697 1.00 54.50 H new ATOM 0 HG3 LYS A 25 -7.931 14.881 -8.811 1.00 54.50 H new ATOM 0 HD2 LYS A 25 -10.182 15.342 -9.372 1.00 52.04 H new ATOM 0 HD3 LYS A 25 -9.253 16.269 -10.534 1.00 52.04 H new ATOM 0 HE2 LYS A 25 -10.974 15.179 -11.785 1.00 14.01 H new ATOM 0 HE3 LYS A 25 -9.490 14.323 -12.155 1.00 14.01 H new ATOM 0 HZ1 LYS A 25 -11.514 12.932 -11.621 1.00 4.35 H new ATOM 0 HZ2 LYS A 25 -10.092 12.534 -10.783 1.00 4.35 H new ATOM 0 HZ3 LYS A 25 -11.319 13.411 -10.004 1.00 4.35 H new ATOM 389 N GLU A 26 -3.995 15.721 -10.185 1.00 55.43 N ATOM 390 CA GLU A 26 -2.590 15.573 -10.544 1.00 41.11 C ATOM 391 C GLU A 26 -2.367 14.300 -11.355 1.00 41.15 C ATOM 392 O GLU A 26 -1.334 14.138 -12.005 1.00 41.55 O ATOM 393 CB GLU A 26 -1.719 15.548 -9.286 1.00 53.20 C ATOM 394 CG GLU A 26 -2.215 14.584 -8.222 1.00 30.42 C ATOM 395 CD GLU A 26 -3.043 15.270 -7.153 1.00 33.51 C ATOM 396 OE1 GLU A 26 -2.486 16.114 -6.420 1.00 73.45 O ATOM 397 OE2 GLU A 26 -4.249 14.962 -7.049 1.00 73.13 O ATOM 0 H GLU A 26 -4.184 15.662 -9.184 1.00 55.43 H new ATOM 0 HA GLU A 26 -2.306 16.428 -11.157 1.00 41.11 H new ATOM 0 HB2 GLU A 26 -0.701 15.276 -9.565 1.00 53.20 H new ATOM 0 HB3 GLU A 26 -1.677 16.552 -8.864 1.00 53.20 H new ATOM 0 HG2 GLU A 26 -2.812 13.804 -8.694 1.00 30.42 H new ATOM 0 HG3 GLU A 26 -1.361 14.093 -7.755 1.00 30.42 H new ATOM 404 N ASP A 27 -3.342 13.399 -11.312 1.00 14.42 N ATOM 405 CA ASP A 27 -3.254 12.141 -12.043 1.00 31.44 C ATOM 406 C ASP A 27 -3.710 12.318 -13.488 1.00 3.13 C ATOM 407 O ASP A 27 -3.908 11.342 -14.210 1.00 24.31 O ATOM 408 CB ASP A 27 -4.100 11.067 -11.356 1.00 53.32 C ATOM 409 CG ASP A 27 -3.845 9.682 -11.917 1.00 4.12 C ATOM 410 OD1 ASP A 27 -2.668 9.356 -12.180 1.00 22.14 O ATOM 411 OD2 ASP A 27 -4.821 8.924 -12.092 1.00 20.20 O ATOM 0 H ASP A 27 -4.203 13.517 -10.778 1.00 14.42 H new ATOM 0 HA ASP A 27 -2.211 11.824 -12.047 1.00 31.44 H new ATOM 0 HB2 ASP A 27 -3.885 11.068 -10.287 1.00 53.32 H new ATOM 0 HB3 ASP A 27 -5.156 11.313 -11.469 1.00 53.32 H new ATOM 416 N GLU A 28 -3.875 13.571 -13.901 1.00 62.32 N ATOM 417 CA GLU A 28 -4.309 13.875 -15.260 1.00 31.14 C ATOM 418 C GLU A 28 -3.167 13.680 -16.252 1.00 43.45 C ATOM 419 O GLU A 28 -3.353 13.812 -17.463 1.00 11.25 O ATOM 420 CB GLU A 28 -4.832 15.311 -15.342 1.00 71.50 C ATOM 421 CG GLU A 28 -6.328 15.428 -15.102 1.00 2.13 C ATOM 422 CD GLU A 28 -6.910 16.711 -15.664 1.00 21.52 C ATOM 423 OE1 GLU A 28 -6.277 17.305 -16.562 1.00 32.21 O ATOM 424 OE2 GLU A 28 -7.997 17.120 -15.206 1.00 71.11 O ATOM 0 H GLU A 28 -3.715 14.391 -13.315 1.00 62.32 H new ATOM 0 HA GLU A 28 -5.114 13.187 -15.520 1.00 31.14 H new ATOM 0 HB2 GLU A 28 -4.306 15.923 -14.609 1.00 71.50 H new ATOM 0 HB3 GLU A 28 -4.597 15.719 -16.325 1.00 71.50 H new ATOM 0 HG2 GLU A 28 -6.833 14.575 -15.556 1.00 2.13 H new ATOM 0 HG3 GLU A 28 -6.525 15.382 -14.031 1.00 2.13 H new ATOM 431 N ILE A 29 -1.985 13.367 -15.732 1.00 32.12 N ATOM 432 CA ILE A 29 -0.813 13.154 -16.572 1.00 31.23 C ATOM 433 C ILE A 29 -1.126 12.201 -17.720 1.00 41.15 C ATOM 434 O ILE A 29 -1.294 10.998 -17.517 1.00 5.12 O ATOM 435 CB ILE A 29 0.367 12.590 -15.759 1.00 20.33 C ATOM 436 CG1 ILE A 29 0.753 13.559 -14.640 1.00 24.04 C ATOM 437 CG2 ILE A 29 1.557 12.321 -16.668 1.00 55.13 C ATOM 438 CD1 ILE A 29 1.152 14.930 -15.139 1.00 15.33 C ATOM 0 H ILE A 29 -1.814 13.255 -14.733 1.00 32.12 H new ATOM 0 HA ILE A 29 -0.533 14.127 -16.976 1.00 31.23 H new ATOM 0 HB ILE A 29 0.060 11.647 -15.307 1.00 20.33 H new ATOM 0 HG12 ILE A 29 -0.087 13.662 -13.953 1.00 24.04 H new ATOM 0 HG13 ILE A 29 1.580 13.134 -14.071 1.00 24.04 H new ATOM 0 HG21 ILE A 29 2.383 11.923 -16.078 1.00 55.13 H new ATOM 0 HG22 ILE A 29 1.275 11.597 -17.432 1.00 55.13 H new ATOM 0 HG23 ILE A 29 1.867 13.250 -17.146 1.00 55.13 H new ATOM 0 HD11 ILE A 29 1.413 15.564 -14.292 1.00 15.33 H new ATOM 0 HD12 ILE A 29 2.012 14.840 -15.803 1.00 15.33 H new ATOM 0 HD13 ILE A 29 0.319 15.376 -15.683 1.00 15.33 H new ATOM 450 N THR A 30 -1.202 12.746 -18.931 1.00 2.54 N ATOM 451 CA THR A 30 -1.494 11.946 -20.113 1.00 24.21 C ATOM 452 C THR A 30 -1.176 12.715 -21.390 1.00 53.20 C ATOM 453 O THR A 30 -1.103 13.945 -21.385 1.00 61.42 O ATOM 454 CB THR A 30 -2.970 11.508 -20.144 1.00 60.33 C ATOM 455 OG1 THR A 30 -3.215 10.695 -21.297 1.00 72.42 O ATOM 456 CG2 THR A 30 -3.893 12.717 -20.165 1.00 21.24 C ATOM 0 H THR A 30 -1.065 13.739 -19.118 1.00 2.54 H new ATOM 0 HA THR A 30 -0.861 11.060 -20.059 1.00 24.21 H new ATOM 0 HB THR A 30 -3.174 10.931 -19.242 1.00 60.33 H new ATOM 0 HG1 THR A 30 -4.155 10.419 -21.309 1.00 72.42 H new ATOM 0 HG21 THR A 30 -4.930 12.383 -20.187 1.00 21.24 H new ATOM 0 HG22 THR A 30 -3.724 13.319 -19.272 1.00 21.24 H new ATOM 0 HG23 THR A 30 -3.687 13.317 -21.051 1.00 21.24 H new ATOM 464 N THR A 31 -0.989 11.985 -22.485 1.00 32.52 N ATOM 465 CA THR A 31 -0.679 12.598 -23.770 1.00 13.42 C ATOM 466 C THR A 31 -1.927 13.197 -24.409 1.00 35.35 C ATOM 467 O THR A 31 -1.845 13.897 -25.418 1.00 0.25 O ATOM 468 CB THR A 31 -0.056 11.580 -24.743 1.00 51.21 C ATOM 469 OG1 THR A 31 -1.036 10.610 -25.131 1.00 4.22 O ATOM 470 CG2 THR A 31 1.134 10.880 -24.105 1.00 32.43 C ATOM 0 H THR A 31 -1.047 10.967 -22.507 1.00 32.52 H new ATOM 0 HA THR A 31 0.043 13.391 -23.575 1.00 13.42 H new ATOM 0 HB THR A 31 0.290 12.118 -25.625 1.00 51.21 H new ATOM 0 HG1 THR A 31 -0.632 9.967 -25.751 1.00 4.22 H new ATOM 0 HG21 THR A 31 1.557 10.166 -24.811 1.00 32.43 H new ATOM 0 HG22 THR A 31 1.890 11.618 -23.838 1.00 32.43 H new ATOM 0 HG23 THR A 31 0.808 10.354 -23.208 1.00 32.43 H new ATOM 478 N ASP A 32 -3.082 12.917 -23.815 1.00 33.24 N ATOM 479 CA ASP A 32 -4.349 13.429 -24.325 1.00 45.31 C ATOM 480 C ASP A 32 -4.808 14.642 -23.521 1.00 62.30 C ATOM 481 O ASP A 32 -5.998 14.950 -23.470 1.00 54.41 O ATOM 482 CB ASP A 32 -5.419 12.338 -24.282 1.00 53.04 C ATOM 483 CG ASP A 32 -6.552 12.600 -25.255 1.00 51.12 C ATOM 484 OD1 ASP A 32 -6.292 12.621 -26.476 1.00 50.52 O ATOM 485 OD2 ASP A 32 -7.699 12.785 -24.796 1.00 22.45 O ATOM 0 H ASP A 32 -3.167 12.338 -22.980 1.00 33.24 H new ATOM 0 HA ASP A 32 -4.198 13.737 -25.359 1.00 45.31 H new ATOM 0 HB2 ASP A 32 -4.962 11.376 -24.512 1.00 53.04 H new ATOM 0 HB3 ASP A 32 -5.821 12.267 -23.271 1.00 53.04 H new ATOM 490 N SER A 33 -3.856 15.324 -22.893 1.00 43.43 N ATOM 491 CA SER A 33 -4.163 16.500 -22.087 1.00 40.13 C ATOM 492 C SER A 33 -3.419 17.726 -22.609 1.00 74.11 C ATOM 493 O SER A 33 -4.025 18.762 -22.884 1.00 4.23 O ATOM 494 CB SER A 33 -3.795 16.251 -20.623 1.00 51.33 C ATOM 495 OG SER A 33 -2.395 16.098 -20.468 1.00 61.13 O ATOM 0 H SER A 33 -2.866 15.083 -22.927 1.00 43.43 H new ATOM 0 HA SER A 33 -5.234 16.689 -22.158 1.00 40.13 H new ATOM 0 HB2 SER A 33 -4.143 17.083 -20.011 1.00 51.33 H new ATOM 0 HB3 SER A 33 -4.304 15.356 -20.264 1.00 51.33 H new ATOM 0 HG SER A 33 -2.113 15.248 -20.867 1.00 61.13 H new ATOM 501 N ARG A 34 -2.103 17.599 -22.743 1.00 53.11 N ATOM 502 CA ARG A 34 -1.276 18.696 -23.231 1.00 22.05 C ATOM 503 C ARG A 34 -1.362 19.899 -22.296 1.00 21.02 C ATOM 504 O ARG A 34 -2.033 19.850 -21.264 1.00 43.35 O ATOM 505 CB ARG A 34 -1.707 19.101 -24.641 1.00 74.22 C ATOM 506 CG ARG A 34 -1.560 17.988 -25.666 1.00 42.22 C ATOM 507 CD ARG A 34 -2.701 18.002 -26.671 1.00 63.24 C ATOM 508 NE ARG A 34 -2.684 19.203 -27.502 1.00 14.23 N ATOM 509 CZ ARG A 34 -1.843 19.386 -28.513 1.00 41.11 C ATOM 510 NH1 ARG A 34 -0.954 18.451 -28.818 1.00 73.51 N ATOM 511 NH2 ARG A 34 -1.890 20.507 -29.222 1.00 64.33 N ATOM 0 H ARG A 34 -1.587 16.748 -22.521 1.00 53.11 H new ATOM 0 HA ARG A 34 -0.242 18.353 -23.260 1.00 22.05 H new ATOM 0 HB2 ARG A 34 -2.748 19.424 -24.615 1.00 74.22 H new ATOM 0 HB3 ARG A 34 -1.115 19.958 -24.961 1.00 74.22 H new ATOM 0 HG2 ARG A 34 -0.611 18.098 -26.190 1.00 42.22 H new ATOM 0 HG3 ARG A 34 -1.534 17.024 -25.157 1.00 42.22 H new ATOM 0 HD2 ARG A 34 -2.634 17.120 -27.308 1.00 63.24 H new ATOM 0 HD3 ARG A 34 -3.652 17.941 -26.141 1.00 63.24 H new ATOM 0 HE ARG A 34 -3.355 19.942 -27.294 1.00 14.23 H new ATOM 0 HH11 ARG A 34 -0.915 17.588 -28.275 1.00 73.51 H new ATOM 0 HH12 ARG A 34 -0.309 18.594 -29.595 1.00 73.51 H new ATOM 0 HH21 ARG A 34 -2.573 21.229 -28.990 1.00 64.33 H new ATOM 0 HH22 ARG A 34 -1.244 20.647 -29.999 1.00 64.33 H new ATOM 525 N PHE A 35 -0.678 20.977 -22.663 1.00 51.53 N ATOM 526 CA PHE A 35 -0.676 22.193 -21.857 1.00 61.23 C ATOM 527 C PHE A 35 -2.060 22.834 -21.837 1.00 51.51 C ATOM 528 O PHE A 35 -2.431 23.507 -20.875 1.00 32.21 O ATOM 529 CB PHE A 35 0.352 23.188 -22.400 1.00 21.14 C ATOM 530 CG PHE A 35 1.742 22.626 -22.488 1.00 21.42 C ATOM 531 CD1 PHE A 35 2.385 22.152 -21.356 1.00 21.24 C ATOM 532 CD2 PHE A 35 2.405 22.570 -23.703 1.00 4.20 C ATOM 533 CE1 PHE A 35 3.664 21.635 -21.434 1.00 64.31 C ATOM 534 CE2 PHE A 35 3.685 22.054 -23.788 1.00 33.33 C ATOM 535 CZ PHE A 35 4.315 21.584 -22.652 1.00 15.43 C ATOM 0 H PHE A 35 -0.118 21.034 -23.513 1.00 51.53 H new ATOM 0 HA PHE A 35 -0.406 21.923 -20.836 1.00 61.23 H new ATOM 0 HB2 PHE A 35 0.039 23.518 -23.391 1.00 21.14 H new ATOM 0 HB3 PHE A 35 0.365 24.070 -21.760 1.00 21.14 H new ATOM 0 HD1 PHE A 35 1.881 22.187 -20.402 1.00 21.24 H new ATOM 0 HD2 PHE A 35 1.916 22.934 -24.595 1.00 4.20 H new ATOM 0 HE1 PHE A 35 4.155 21.271 -20.543 1.00 64.31 H new ATOM 0 HE2 PHE A 35 4.192 22.018 -24.741 1.00 33.33 H new ATOM 0 HZ PHE A 35 5.314 21.178 -22.716 1.00 15.43 H new ATOM 545 N VAL A 36 -2.820 22.622 -22.907 1.00 41.30 N ATOM 546 CA VAL A 36 -4.163 23.179 -23.013 1.00 73.22 C ATOM 547 C VAL A 36 -5.075 22.624 -21.925 1.00 15.42 C ATOM 548 O VAL A 36 -5.749 23.378 -21.223 1.00 73.13 O ATOM 549 CB VAL A 36 -4.786 22.882 -24.390 1.00 55.32 C ATOM 550 CG1 VAL A 36 -4.115 23.716 -25.471 1.00 13.10 C ATOM 551 CG2 VAL A 36 -4.687 21.399 -24.711 1.00 70.42 C ATOM 0 H VAL A 36 -2.528 22.068 -23.713 1.00 41.30 H new ATOM 0 HA VAL A 36 -4.069 24.258 -22.889 1.00 73.22 H new ATOM 0 HB VAL A 36 -5.841 23.153 -24.358 1.00 55.32 H new ATOM 0 HG11 VAL A 36 -4.568 23.493 -26.437 1.00 13.10 H new ATOM 0 HG12 VAL A 36 -4.244 24.775 -25.246 1.00 13.10 H new ATOM 0 HG13 VAL A 36 -3.052 23.479 -25.506 1.00 13.10 H new ATOM 0 HG21 VAL A 36 -5.132 21.208 -25.687 1.00 70.42 H new ATOM 0 HG22 VAL A 36 -3.639 21.099 -24.725 1.00 70.42 H new ATOM 0 HG23 VAL A 36 -5.219 20.826 -23.951 1.00 70.42 H new ATOM 561 N GLU A 37 -5.091 21.302 -21.790 1.00 22.10 N ATOM 562 CA GLU A 37 -5.921 20.647 -20.786 1.00 72.43 C ATOM 563 C GLU A 37 -5.209 20.601 -19.437 1.00 75.42 C ATOM 564 O GLU A 37 -5.716 21.112 -18.438 1.00 72.43 O ATOM 565 CB GLU A 37 -6.279 19.228 -21.235 1.00 40.32 C ATOM 566 CG GLU A 37 -7.573 18.708 -20.633 1.00 73.32 C ATOM 567 CD GLU A 37 -8.793 19.100 -21.444 1.00 71.01 C ATOM 568 OE1 GLU A 37 -8.855 18.738 -22.637 1.00 64.34 O ATOM 569 OE2 GLU A 37 -9.687 19.770 -20.884 1.00 65.43 O ATOM 0 H GLU A 37 -4.539 20.664 -22.363 1.00 22.10 H new ATOM 0 HA GLU A 37 -6.837 21.227 -20.674 1.00 72.43 H new ATOM 0 HB2 GLU A 37 -6.360 19.209 -22.322 1.00 40.32 H new ATOM 0 HB3 GLU A 37 -5.466 18.554 -20.965 1.00 40.32 H new ATOM 0 HG2 GLU A 37 -7.524 17.622 -20.559 1.00 73.32 H new ATOM 0 HG3 GLU A 37 -7.677 19.092 -19.618 1.00 73.32 H new ATOM 576 N ASP A 38 -4.033 19.984 -19.417 1.00 1.34 N ATOM 577 CA ASP A 38 -3.250 19.871 -18.191 1.00 53.22 C ATOM 578 C ASP A 38 -2.987 21.246 -17.586 1.00 2.42 C ATOM 579 O ASP A 38 -3.430 21.543 -16.475 1.00 61.04 O ATOM 580 CB ASP A 38 -1.925 19.161 -18.471 1.00 30.11 C ATOM 581 CG ASP A 38 -1.363 18.478 -17.240 1.00 30.05 C ATOM 582 OD1 ASP A 38 -1.989 18.585 -16.165 1.00 33.44 O ATOM 583 OD2 ASP A 38 -0.296 17.838 -17.351 1.00 34.55 O ATOM 0 H ASP A 38 -3.601 19.554 -20.235 1.00 1.34 H new ATOM 0 HA ASP A 38 -3.824 19.283 -17.475 1.00 53.22 H new ATOM 0 HB2 ASP A 38 -2.072 18.421 -19.258 1.00 30.11 H new ATOM 0 HB3 ASP A 38 -1.200 19.884 -18.844 1.00 30.11 H new ATOM 588 N LEU A 39 -2.262 22.082 -18.322 1.00 33.03 N ATOM 589 CA LEU A 39 -1.938 23.426 -17.857 1.00 53.42 C ATOM 590 C LEU A 39 -3.046 24.410 -18.221 1.00 32.23 C ATOM 591 O LEU A 39 -4.012 24.051 -18.893 1.00 44.25 O ATOM 592 CB LEU A 39 -0.611 23.890 -18.461 1.00 32.33 C ATOM 593 CG LEU A 39 0.651 23.486 -17.697 1.00 74.22 C ATOM 594 CD1 LEU A 39 1.895 23.909 -18.461 1.00 44.25 C ATOM 595 CD2 LEU A 39 0.647 24.093 -16.302 1.00 30.01 C ATOM 0 H LEU A 39 -1.888 21.853 -19.243 1.00 33.03 H new ATOM 0 HA LEU A 39 -1.846 23.396 -16.771 1.00 53.42 H new ATOM 0 HB2 LEU A 39 -0.539 23.497 -19.475 1.00 32.33 H new ATOM 0 HB3 LEU A 39 -0.631 24.977 -18.541 1.00 32.33 H new ATOM 0 HG LEU A 39 0.662 22.400 -17.599 1.00 74.22 H new ATOM 0 HD11 LEU A 39 2.783 23.613 -17.902 1.00 44.25 H new ATOM 0 HD12 LEU A 39 1.904 23.426 -19.438 1.00 44.25 H new ATOM 0 HD13 LEU A 39 1.892 24.991 -18.591 1.00 44.25 H new ATOM 0 HD21 LEU A 39 1.552 23.795 -15.773 1.00 30.01 H new ATOM 0 HD22 LEU A 39 0.612 25.180 -16.378 1.00 30.01 H new ATOM 0 HD23 LEU A 39 -0.226 23.740 -15.754 1.00 30.01 H new ATOM 607 N ASN A 40 -2.898 25.652 -17.772 1.00 51.24 N ATOM 608 CA ASN A 40 -3.886 26.688 -18.052 1.00 5.40 C ATOM 609 C ASN A 40 -3.326 27.726 -19.021 1.00 73.51 C ATOM 610 O ASN A 40 -3.480 28.929 -18.815 1.00 24.02 O ATOM 611 CB ASN A 40 -4.322 27.370 -16.753 1.00 45.35 C ATOM 612 CG ASN A 40 -3.176 28.086 -16.064 1.00 33.05 C ATOM 613 OD1 ASN A 40 -2.007 27.826 -16.346 1.00 63.50 O ATOM 614 ND2 ASN A 40 -3.509 28.993 -15.153 1.00 1.51 N ATOM 0 H ASN A 40 -2.104 25.966 -17.213 1.00 51.24 H new ATOM 0 HA ASN A 40 -4.752 26.214 -18.515 1.00 5.40 H new ATOM 0 HB2 ASN A 40 -5.116 28.085 -16.970 1.00 45.35 H new ATOM 0 HB3 ASN A 40 -4.740 26.624 -16.077 1.00 45.35 H new ATOM 0 HD21 ASN A 40 -2.782 29.507 -14.655 1.00 1.51 H new ATOM 0 HD22 ASN A 40 -4.492 29.176 -14.951 1.00 1.51 H new ATOM 621 N ALA A 41 -2.678 27.250 -20.079 1.00 62.40 N ATOM 622 CA ALA A 41 -2.098 28.135 -21.082 1.00 30.25 C ATOM 623 C ALA A 41 -1.719 27.364 -22.341 1.00 72.25 C ATOM 624 O ALA A 41 -1.715 26.133 -22.350 1.00 30.34 O ATOM 625 CB ALA A 41 -0.882 28.851 -20.513 1.00 50.21 C ATOM 0 H ALA A 41 -2.541 26.256 -20.264 1.00 62.40 H new ATOM 0 HA ALA A 41 -2.849 28.877 -21.354 1.00 30.25 H new ATOM 0 HB1 ALA A 41 -0.459 29.509 -21.272 1.00 50.21 H new ATOM 0 HB2 ALA A 41 -1.180 29.442 -19.647 1.00 50.21 H new ATOM 0 HB3 ALA A 41 -0.135 28.116 -20.212 1.00 50.21 H new ATOM 631 N ASP A 42 -1.402 28.095 -23.404 1.00 54.31 N ATOM 632 CA ASP A 42 -1.022 27.480 -24.670 1.00 63.21 C ATOM 633 C ASP A 42 0.495 27.366 -24.785 1.00 3.34 C ATOM 634 O ASP A 42 1.234 28.011 -24.041 1.00 11.34 O ATOM 635 CB ASP A 42 -1.575 28.291 -25.843 1.00 2.12 C ATOM 636 CG ASP A 42 -2.820 27.668 -26.442 1.00 34.25 C ATOM 637 OD1 ASP A 42 -3.575 27.014 -25.692 1.00 12.21 O ATOM 638 OD2 ASP A 42 -3.040 27.833 -27.660 1.00 61.10 O ATOM 0 H ASP A 42 -1.401 29.115 -23.414 1.00 54.31 H new ATOM 0 HA ASP A 42 -1.447 26.477 -24.700 1.00 63.21 H new ATOM 0 HB2 ASP A 42 -1.804 29.302 -25.506 1.00 2.12 H new ATOM 0 HB3 ASP A 42 -0.809 28.378 -26.614 1.00 2.12 H new ATOM 643 N SER A 43 0.953 26.541 -25.721 1.00 31.02 N ATOM 644 CA SER A 43 2.382 26.339 -25.929 1.00 71.15 C ATOM 645 C SER A 43 3.108 27.676 -26.044 1.00 64.55 C ATOM 646 O SER A 43 4.296 27.779 -25.735 1.00 63.41 O ATOM 647 CB SER A 43 2.622 25.505 -27.189 1.00 72.05 C ATOM 648 OG SER A 43 2.789 26.335 -28.326 1.00 70.30 O ATOM 0 H SER A 43 0.355 26.002 -26.347 1.00 31.02 H new ATOM 0 HA SER A 43 2.778 25.803 -25.066 1.00 71.15 H new ATOM 0 HB2 SER A 43 3.508 24.884 -27.055 1.00 72.05 H new ATOM 0 HB3 SER A 43 1.781 24.830 -27.348 1.00 72.05 H new ATOM 0 HG SER A 43 2.943 25.778 -29.118 1.00 70.30 H new ATOM 654 N LEU A 44 2.387 28.697 -26.492 1.00 12.23 N ATOM 655 CA LEU A 44 2.961 30.029 -26.648 1.00 41.13 C ATOM 656 C LEU A 44 3.670 30.470 -25.372 1.00 21.02 C ATOM 657 O LEU A 44 4.820 30.908 -25.408 1.00 63.52 O ATOM 658 CB LEU A 44 1.870 31.037 -27.013 1.00 73.12 C ATOM 659 CG LEU A 44 0.635 31.044 -26.112 1.00 14.42 C ATOM 660 CD1 LEU A 44 0.708 32.191 -25.115 1.00 61.31 C ATOM 661 CD2 LEU A 44 -0.634 31.141 -26.946 1.00 52.53 C ATOM 0 H LEU A 44 1.404 28.628 -26.754 1.00 12.23 H new ATOM 0 HA LEU A 44 3.694 29.989 -27.454 1.00 41.13 H new ATOM 0 HB2 LEU A 44 2.308 32.035 -27.004 1.00 73.12 H new ATOM 0 HB3 LEU A 44 1.548 30.840 -28.036 1.00 73.12 H new ATOM 0 HG LEU A 44 0.610 30.107 -25.556 1.00 14.42 H new ATOM 0 HD11 LEU A 44 -0.179 32.180 -24.482 1.00 61.31 H new ATOM 0 HD12 LEU A 44 1.597 32.078 -24.495 1.00 61.31 H new ATOM 0 HD13 LEU A 44 0.759 33.138 -25.653 1.00 61.31 H new ATOM 0 HD21 LEU A 44 -1.503 31.145 -26.288 1.00 52.53 H new ATOM 0 HD22 LEU A 44 -0.617 32.062 -27.529 1.00 52.53 H new ATOM 0 HD23 LEU A 44 -0.693 30.286 -27.620 1.00 52.53 H new ATOM 673 N ASP A 45 2.977 30.350 -24.245 1.00 22.32 N ATOM 674 CA ASP A 45 3.541 30.733 -22.956 1.00 25.42 C ATOM 675 C ASP A 45 4.456 29.637 -22.416 1.00 14.22 C ATOM 676 O ASP A 45 5.272 29.879 -21.526 1.00 40.33 O ATOM 677 CB ASP A 45 2.425 31.023 -21.952 1.00 75.11 C ATOM 678 CG ASP A 45 2.913 30.993 -20.517 1.00 63.53 C ATOM 679 OD1 ASP A 45 3.479 32.008 -20.062 1.00 52.40 O ATOM 680 OD2 ASP A 45 2.731 29.953 -19.850 1.00 20.42 O ATOM 0 H ASP A 45 2.024 29.990 -24.198 1.00 22.32 H new ATOM 0 HA ASP A 45 4.132 31.637 -23.101 1.00 25.42 H new ATOM 0 HB2 ASP A 45 1.994 32.001 -22.165 1.00 75.11 H new ATOM 0 HB3 ASP A 45 1.629 30.289 -22.077 1.00 75.11 H new ATOM 685 N ILE A 46 4.312 28.433 -22.958 1.00 72.14 N ATOM 686 CA ILE A 46 5.125 27.301 -22.531 1.00 35.02 C ATOM 687 C ILE A 46 6.530 27.381 -23.117 1.00 60.21 C ATOM 688 O ILE A 46 7.491 26.895 -22.520 1.00 43.23 O ATOM 689 CB ILE A 46 4.485 25.962 -22.941 1.00 74.42 C ATOM 690 CG1 ILE A 46 3.053 25.871 -22.408 1.00 24.43 C ATOM 691 CG2 ILE A 46 5.321 24.797 -22.432 1.00 14.13 C ATOM 692 CD1 ILE A 46 2.975 25.792 -20.899 1.00 73.22 C ATOM 0 H ILE A 46 3.640 28.216 -23.694 1.00 72.14 H new ATOM 0 HA ILE A 46 5.185 27.348 -21.444 1.00 35.02 H new ATOM 0 HB ILE A 46 4.451 25.911 -24.029 1.00 74.42 H new ATOM 0 HG12 ILE A 46 2.491 26.741 -22.748 1.00 24.43 H new ATOM 0 HG13 ILE A 46 2.570 24.992 -22.835 1.00 24.43 H new ATOM 0 HG21 ILE A 46 4.855 23.858 -22.730 1.00 14.13 H new ATOM 0 HG22 ILE A 46 6.323 24.856 -22.856 1.00 14.13 H new ATOM 0 HG23 ILE A 46 5.384 24.842 -21.345 1.00 14.13 H new ATOM 0 HD11 ILE A 46 1.931 25.730 -20.591 1.00 73.22 H new ATOM 0 HD12 ILE A 46 3.509 24.907 -20.553 1.00 73.22 H new ATOM 0 HD13 ILE A 46 3.429 26.682 -20.464 1.00 73.22 H new ATOM 704 N TYR A 47 6.642 27.998 -24.288 1.00 63.30 N ATOM 705 CA TYR A 47 7.930 28.141 -24.956 1.00 4.10 C ATOM 706 C TYR A 47 8.983 28.688 -23.997 1.00 44.31 C ATOM 707 O TYR A 47 10.113 28.202 -23.956 1.00 41.34 O ATOM 708 CB TYR A 47 7.800 29.064 -26.169 1.00 11.35 C ATOM 709 CG TYR A 47 9.109 29.318 -26.880 1.00 65.35 C ATOM 710 CD1 TYR A 47 9.976 30.314 -26.449 1.00 42.10 C ATOM 711 CD2 TYR A 47 9.480 28.560 -27.984 1.00 64.44 C ATOM 712 CE1 TYR A 47 11.173 30.549 -27.097 1.00 43.41 C ATOM 713 CE2 TYR A 47 10.676 28.787 -28.638 1.00 23.13 C ATOM 714 CZ TYR A 47 11.519 29.783 -28.191 1.00 11.14 C ATOM 715 OH TYR A 47 12.711 30.013 -28.838 1.00 42.50 O ATOM 0 H TYR A 47 5.857 28.407 -24.794 1.00 63.30 H new ATOM 0 HA TYR A 47 8.248 27.154 -25.292 1.00 4.10 H new ATOM 0 HB2 TYR A 47 7.093 28.627 -26.874 1.00 11.35 H new ATOM 0 HB3 TYR A 47 7.381 30.017 -25.846 1.00 11.35 H new ATOM 0 HD1 TYR A 47 9.710 30.915 -25.592 1.00 42.10 H new ATOM 0 HD2 TYR A 47 8.822 27.780 -28.337 1.00 64.44 H new ATOM 0 HE1 TYR A 47 11.835 31.328 -26.749 1.00 43.41 H new ATOM 0 HE2 TYR A 47 10.949 28.188 -29.494 1.00 23.13 H new ATOM 0 HH TYR A 47 12.803 29.387 -29.586 1.00 42.50 H new ATOM 725 N GLU A 48 8.603 29.703 -23.227 1.00 33.44 N ATOM 726 CA GLU A 48 9.514 30.317 -22.268 1.00 33.52 C ATOM 727 C GLU A 48 9.811 29.364 -21.113 1.00 14.31 C ATOM 728 O GLU A 48 10.934 29.311 -20.610 1.00 71.13 O ATOM 729 CB GLU A 48 8.920 31.620 -21.729 1.00 21.20 C ATOM 730 CG GLU A 48 9.223 32.831 -22.596 1.00 31.44 C ATOM 731 CD GLU A 48 8.547 34.091 -22.093 1.00 51.50 C ATOM 732 OE1 GLU A 48 8.908 34.559 -20.993 1.00 2.32 O ATOM 733 OE2 GLU A 48 7.657 34.610 -22.799 1.00 40.00 O ATOM 0 H GLU A 48 7.671 30.117 -23.249 1.00 33.44 H new ATOM 0 HA GLU A 48 10.449 30.538 -22.783 1.00 33.52 H new ATOM 0 HB2 GLU A 48 7.839 31.508 -21.641 1.00 21.20 H new ATOM 0 HB3 GLU A 48 9.305 31.797 -20.725 1.00 21.20 H new ATOM 0 HG2 GLU A 48 10.301 32.990 -22.629 1.00 31.44 H new ATOM 0 HG3 GLU A 48 8.899 32.632 -23.618 1.00 31.44 H new ATOM 740 N LEU A 49 8.796 28.615 -20.696 1.00 61.45 N ATOM 741 CA LEU A 49 8.947 27.664 -19.600 1.00 72.02 C ATOM 742 C LEU A 49 10.066 26.670 -19.891 1.00 64.15 C ATOM 743 O LEU A 49 11.049 26.592 -19.153 1.00 63.43 O ATOM 744 CB LEU A 49 7.634 26.916 -19.364 1.00 34.22 C ATOM 745 CG LEU A 49 7.636 25.900 -18.221 1.00 1.44 C ATOM 746 CD1 LEU A 49 7.879 26.595 -16.890 1.00 2.31 C ATOM 747 CD2 LEU A 49 6.325 25.129 -18.190 1.00 31.23 C ATOM 0 H LEU A 49 7.860 28.648 -21.100 1.00 61.45 H new ATOM 0 HA LEU A 49 9.207 28.222 -18.701 1.00 72.02 H new ATOM 0 HB2 LEU A 49 6.851 27.649 -19.170 1.00 34.22 H new ATOM 0 HB3 LEU A 49 7.364 26.397 -20.284 1.00 34.22 H new ATOM 0 HG LEU A 49 8.447 25.192 -18.392 1.00 1.44 H new ATOM 0 HD11 LEU A 49 7.877 25.857 -16.088 1.00 2.31 H new ATOM 0 HD12 LEU A 49 8.844 27.101 -16.915 1.00 2.31 H new ATOM 0 HD13 LEU A 49 7.090 27.326 -16.712 1.00 2.31 H new ATOM 0 HD21 LEU A 49 6.345 24.411 -17.370 1.00 31.23 H new ATOM 0 HD22 LEU A 49 5.498 25.824 -18.044 1.00 31.23 H new ATOM 0 HD23 LEU A 49 6.192 24.599 -19.133 1.00 31.23 H new ATOM 759 N LEU A 50 9.912 25.913 -20.973 1.00 3.54 N ATOM 760 CA LEU A 50 10.912 24.925 -21.364 1.00 15.23 C ATOM 761 C LEU A 50 12.229 25.600 -21.733 1.00 72.44 C ATOM 762 O LEU A 50 13.303 25.145 -21.339 1.00 31.00 O ATOM 763 CB LEU A 50 10.402 24.095 -22.543 1.00 31.21 C ATOM 764 CG LEU A 50 9.694 24.871 -23.654 1.00 71.21 C ATOM 765 CD1 LEU A 50 10.430 24.703 -24.975 1.00 15.05 C ATOM 766 CD2 LEU A 50 8.248 24.415 -23.785 1.00 61.12 C ATOM 0 H LEU A 50 9.105 25.965 -21.594 1.00 3.54 H new ATOM 0 HA LEU A 50 11.089 24.266 -20.514 1.00 15.23 H new ATOM 0 HB2 LEU A 50 11.248 23.564 -22.980 1.00 31.21 H new ATOM 0 HB3 LEU A 50 9.715 23.340 -22.160 1.00 31.21 H new ATOM 0 HG LEU A 50 9.698 25.929 -23.392 1.00 71.21 H new ATOM 0 HD11 LEU A 50 9.912 25.262 -25.754 1.00 15.05 H new ATOM 0 HD12 LEU A 50 11.448 25.079 -24.875 1.00 15.05 H new ATOM 0 HD13 LEU A 50 10.458 23.647 -25.244 1.00 15.05 H new ATOM 0 HD21 LEU A 50 7.760 24.978 -24.580 1.00 61.12 H new ATOM 0 HD22 LEU A 50 8.222 23.352 -24.024 1.00 61.12 H new ATOM 0 HD23 LEU A 50 7.725 24.588 -22.844 1.00 61.12 H new ATOM 778 N TYR A 51 12.138 26.687 -22.491 1.00 3.01 N ATOM 779 CA TYR A 51 13.323 27.424 -22.914 1.00 52.41 C ATOM 780 C TYR A 51 14.226 27.734 -21.724 1.00 12.10 C ATOM 781 O TYR A 51 15.426 27.456 -21.751 1.00 35.05 O ATOM 782 CB TYR A 51 12.918 28.723 -23.613 1.00 0.41 C ATOM 783 CG TYR A 51 14.040 29.733 -23.712 1.00 74.40 C ATOM 784 CD1 TYR A 51 15.308 29.351 -24.132 1.00 1.41 C ATOM 785 CD2 TYR A 51 13.831 31.067 -23.385 1.00 63.31 C ATOM 786 CE1 TYR A 51 16.336 30.270 -24.223 1.00 62.34 C ATOM 787 CE2 TYR A 51 14.853 31.992 -23.475 1.00 10.10 C ATOM 788 CZ TYR A 51 16.104 31.589 -23.894 1.00 75.24 C ATOM 789 OH TYR A 51 17.124 32.507 -23.984 1.00 3.31 O ATOM 0 H TYR A 51 11.257 27.077 -22.825 1.00 3.01 H new ATOM 0 HA TYR A 51 13.878 26.799 -23.614 1.00 52.41 H new ATOM 0 HB2 TYR A 51 12.561 28.490 -24.616 1.00 0.41 H new ATOM 0 HB3 TYR A 51 12.084 29.171 -23.074 1.00 0.41 H new ATOM 0 HD1 TYR A 51 15.493 28.319 -24.392 1.00 1.41 H new ATOM 0 HD2 TYR A 51 12.853 31.386 -23.055 1.00 63.31 H new ATOM 0 HE1 TYR A 51 17.316 29.957 -24.550 1.00 62.34 H new ATOM 0 HE2 TYR A 51 14.673 33.026 -23.219 1.00 10.10 H new ATOM 0 HH TYR A 51 16.794 33.390 -23.718 1.00 3.31 H new ATOM 799 N LEU A 52 13.641 28.311 -20.680 1.00 54.03 N ATOM 800 CA LEU A 52 14.390 28.659 -19.478 1.00 65.13 C ATOM 801 C LEU A 52 14.852 27.405 -18.742 1.00 73.03 C ATOM 802 O LEU A 52 15.887 27.409 -18.075 1.00 12.45 O ATOM 803 CB LEU A 52 13.534 29.522 -18.551 1.00 14.32 C ATOM 804 CG LEU A 52 13.699 31.035 -18.699 1.00 42.11 C ATOM 805 CD1 LEU A 52 13.226 31.492 -20.070 1.00 53.02 C ATOM 806 CD2 LEU A 52 12.940 31.765 -17.600 1.00 65.13 C ATOM 0 H LEU A 52 12.650 28.548 -20.642 1.00 54.03 H new ATOM 0 HA LEU A 52 15.271 29.226 -19.780 1.00 65.13 H new ATOM 0 HB2 LEU A 52 12.486 29.273 -18.720 1.00 14.32 H new ATOM 0 HB3 LEU A 52 13.764 29.251 -17.521 1.00 14.32 H new ATOM 0 HG LEU A 52 14.758 31.276 -18.603 1.00 42.11 H new ATOM 0 HD11 LEU A 52 13.351 32.571 -20.157 1.00 53.02 H new ATOM 0 HD12 LEU A 52 13.814 30.995 -20.842 1.00 53.02 H new ATOM 0 HD13 LEU A 52 12.174 31.237 -20.195 1.00 53.02 H new ATOM 0 HD21 LEU A 52 13.069 32.841 -17.721 1.00 65.13 H new ATOM 0 HD22 LEU A 52 11.880 31.517 -17.663 1.00 65.13 H new ATOM 0 HD23 LEU A 52 13.326 31.461 -16.627 1.00 65.13 H new ATOM 818 N LEU A 53 14.079 26.332 -18.870 1.00 53.33 N ATOM 819 CA LEU A 53 14.409 25.069 -18.219 1.00 52.22 C ATOM 820 C LEU A 53 15.672 24.461 -18.820 1.00 72.42 C ATOM 821 O LEU A 53 16.403 23.735 -18.147 1.00 0.20 O ATOM 822 CB LEU A 53 13.244 24.086 -18.349 1.00 11.34 C ATOM 823 CG LEU A 53 12.365 23.920 -17.108 1.00 50.15 C ATOM 824 CD1 LEU A 53 11.952 25.278 -16.561 1.00 74.54 C ATOM 825 CD2 LEU A 53 11.140 23.078 -17.432 1.00 73.21 C ATOM 0 H LEU A 53 13.219 26.311 -19.419 1.00 53.33 H new ATOM 0 HA LEU A 53 14.591 25.269 -17.163 1.00 52.22 H new ATOM 0 HB2 LEU A 53 12.613 24.409 -19.177 1.00 11.34 H new ATOM 0 HB3 LEU A 53 13.647 23.109 -18.618 1.00 11.34 H new ATOM 0 HG LEU A 53 12.944 23.404 -16.342 1.00 50.15 H new ATOM 0 HD11 LEU A 53 11.327 25.140 -15.679 1.00 74.54 H new ATOM 0 HD12 LEU A 53 12.841 25.847 -16.291 1.00 74.54 H new ATOM 0 HD13 LEU A 53 11.391 25.821 -17.321 1.00 74.54 H new ATOM 0 HD21 LEU A 53 10.526 22.970 -16.538 1.00 73.21 H new ATOM 0 HD22 LEU A 53 10.559 23.567 -18.214 1.00 73.21 H new ATOM 0 HD23 LEU A 53 11.456 22.093 -17.776 1.00 73.21 H new ATOM 837 N GLU A 54 15.922 24.763 -20.090 1.00 52.13 N ATOM 838 CA GLU A 54 17.098 24.246 -20.781 1.00 14.33 C ATOM 839 C GLU A 54 18.361 24.492 -19.961 1.00 44.15 C ATOM 840 O GLU A 54 19.151 23.577 -19.731 1.00 31.14 O ATOM 841 CB GLU A 54 17.235 24.898 -22.158 1.00 70.24 C ATOM 842 CG GLU A 54 16.100 24.556 -23.109 1.00 50.30 C ATOM 843 CD GLU A 54 16.111 25.411 -24.361 1.00 54.43 C ATOM 844 OE1 GLU A 54 17.150 26.048 -24.635 1.00 55.03 O ATOM 845 OE2 GLU A 54 15.081 25.444 -25.067 1.00 12.34 O ATOM 0 H GLU A 54 15.327 25.363 -20.661 1.00 52.13 H new ATOM 0 HA GLU A 54 16.971 23.171 -20.908 1.00 14.33 H new ATOM 0 HB2 GLU A 54 17.281 25.980 -22.035 1.00 70.24 H new ATOM 0 HB3 GLU A 54 18.179 24.587 -22.606 1.00 70.24 H new ATOM 0 HG2 GLU A 54 16.171 23.505 -23.390 1.00 50.30 H new ATOM 0 HG3 GLU A 54 15.148 24.685 -22.594 1.00 50.30 H new ATOM 852 N GLU A 55 18.545 25.735 -19.526 1.00 20.30 N ATOM 853 CA GLU A 55 19.713 26.101 -18.734 1.00 23.00 C ATOM 854 C GLU A 55 19.631 25.501 -17.333 1.00 71.03 C ATOM 855 O GLU A 55 20.647 25.140 -16.740 1.00 41.24 O ATOM 856 CB GLU A 55 19.838 27.623 -18.642 1.00 51.21 C ATOM 857 CG GLU A 55 21.051 28.088 -17.855 1.00 3.24 C ATOM 858 CD GLU A 55 21.505 29.480 -18.250 1.00 10.11 C ATOM 859 OE1 GLU A 55 20.702 30.427 -18.116 1.00 71.22 O ATOM 860 OE2 GLU A 55 22.664 29.622 -18.693 1.00 1.11 O ATOM 0 H GLU A 55 17.901 26.504 -19.709 1.00 20.30 H new ATOM 0 HA GLU A 55 20.597 25.700 -19.231 1.00 23.00 H new ATOM 0 HB2 GLU A 55 19.889 28.036 -19.649 1.00 51.21 H new ATOM 0 HB3 GLU A 55 18.938 28.025 -18.177 1.00 51.21 H new ATOM 0 HG2 GLU A 55 20.816 28.075 -16.791 1.00 3.24 H new ATOM 0 HG3 GLU A 55 21.870 27.386 -18.009 1.00 3.24 H new ATOM 867 N ALA A 56 18.413 25.398 -16.811 1.00 3.54 N ATOM 868 CA ALA A 56 18.197 24.841 -15.481 1.00 42.50 C ATOM 869 C ALA A 56 18.695 23.402 -15.401 1.00 51.32 C ATOM 870 O ALA A 56 18.989 22.896 -14.318 1.00 61.33 O ATOM 871 CB ALA A 56 16.723 24.913 -15.112 1.00 52.30 C ATOM 0 H ALA A 56 17.561 25.693 -17.289 1.00 3.54 H new ATOM 0 HA ALA A 56 18.768 25.435 -14.768 1.00 42.50 H new ATOM 0 HB1 ALA A 56 16.576 24.494 -14.117 1.00 52.30 H new ATOM 0 HB2 ALA A 56 16.396 25.953 -15.120 1.00 52.30 H new ATOM 0 HB3 ALA A 56 16.139 24.344 -15.835 1.00 52.30 H new ATOM 877 N PHE A 57 18.786 22.748 -16.554 1.00 64.12 N ATOM 878 CA PHE A 57 19.247 21.366 -16.614 1.00 60.43 C ATOM 879 C PHE A 57 20.455 21.235 -17.538 1.00 32.54 C ATOM 880 O PHE A 57 20.947 20.133 -17.780 1.00 64.33 O ATOM 881 CB PHE A 57 18.120 20.451 -17.097 1.00 72.43 C ATOM 882 CG PHE A 57 16.780 20.786 -16.506 1.00 44.34 C ATOM 883 CD1 PHE A 57 16.658 21.082 -15.158 1.00 73.22 C ATOM 884 CD2 PHE A 57 15.644 20.807 -17.299 1.00 62.10 C ATOM 885 CE1 PHE A 57 15.426 21.390 -14.612 1.00 2.11 C ATOM 886 CE2 PHE A 57 14.410 21.115 -16.758 1.00 50.03 C ATOM 887 CZ PHE A 57 14.301 21.408 -15.413 1.00 42.01 C ATOM 0 H PHE A 57 18.547 23.153 -17.459 1.00 64.12 H new ATOM 0 HA PHE A 57 19.545 21.065 -15.610 1.00 60.43 H new ATOM 0 HB2 PHE A 57 18.054 20.511 -18.183 1.00 72.43 H new ATOM 0 HB3 PHE A 57 18.369 19.419 -16.850 1.00 72.43 H new ATOM 0 HD1 PHE A 57 17.535 21.072 -14.527 1.00 73.22 H new ATOM 0 HD2 PHE A 57 15.724 20.580 -18.352 1.00 62.10 H new ATOM 0 HE1 PHE A 57 15.343 21.617 -13.559 1.00 2.11 H new ATOM 0 HE2 PHE A 57 13.532 21.126 -17.387 1.00 50.03 H new ATOM 0 HZ PHE A 57 13.338 21.651 -14.988 1.00 42.01 H new ATOM 897 N ASP A 58 20.926 22.366 -18.050 1.00 12.14 N ATOM 898 CA ASP A 58 22.076 22.379 -18.946 1.00 40.31 C ATOM 899 C ASP A 58 21.887 21.385 -20.087 1.00 61.41 C ATOM 900 O ASP A 58 22.705 20.486 -20.282 1.00 65.22 O ATOM 901 CB ASP A 58 23.355 22.052 -18.174 1.00 61.20 C ATOM 902 CG ASP A 58 24.605 22.289 -18.998 1.00 64.41 C ATOM 903 OD1 ASP A 58 24.824 23.441 -19.427 1.00 34.14 O ATOM 904 OD2 ASP A 58 25.365 21.321 -19.215 1.00 43.42 O ATOM 0 H ASP A 58 20.529 23.286 -17.860 1.00 12.14 H new ATOM 0 HA ASP A 58 22.163 23.379 -19.370 1.00 40.31 H new ATOM 0 HB2 ASP A 58 23.397 22.662 -17.272 1.00 61.20 H new ATOM 0 HB3 ASP A 58 23.326 21.010 -17.854 1.00 61.20 H new ATOM 909 N ASP A 59 20.803 21.551 -20.837 1.00 2.22 N ATOM 910 CA ASP A 59 20.506 20.668 -21.959 1.00 3.03 C ATOM 911 C ASP A 59 19.438 21.277 -22.862 1.00 23.02 C ATOM 912 O ASP A 59 18.518 21.946 -22.390 1.00 63.43 O ATOM 913 CB ASP A 59 20.044 19.301 -21.451 1.00 50.41 C ATOM 914 CG ASP A 59 21.185 18.309 -21.339 1.00 52.11 C ATOM 915 OD1 ASP A 59 21.947 18.167 -22.319 1.00 14.33 O ATOM 916 OD2 ASP A 59 21.316 17.675 -20.272 1.00 3.15 O ATOM 0 H ASP A 59 20.115 22.289 -20.688 1.00 2.22 H new ATOM 0 HA ASP A 59 21.419 20.541 -22.541 1.00 3.03 H new ATOM 0 HB2 ASP A 59 19.572 19.420 -20.475 1.00 50.41 H new ATOM 0 HB3 ASP A 59 19.286 18.903 -22.125 1.00 50.41 H new ATOM 921 N LYS A 60 19.567 21.042 -24.163 1.00 42.23 N ATOM 922 CA LYS A 60 18.614 21.567 -25.134 1.00 31.31 C ATOM 923 C LYS A 60 17.262 20.874 -24.998 1.00 31.31 C ATOM 924 O LYS A 60 17.190 19.650 -24.881 1.00 64.15 O ATOM 925 CB LYS A 60 19.151 21.386 -26.556 1.00 13.14 C ATOM 926 CG LYS A 60 20.023 22.537 -27.027 1.00 72.22 C ATOM 927 CD LYS A 60 19.189 23.747 -27.412 1.00 13.20 C ATOM 928 CE LYS A 60 20.035 25.009 -27.477 1.00 11.44 C ATOM 929 NZ LYS A 60 19.335 26.110 -28.195 1.00 42.14 N ATOM 0 H LYS A 60 20.323 20.491 -24.570 1.00 42.23 H new ATOM 0 HA LYS A 60 18.480 22.630 -24.936 1.00 31.31 H new ATOM 0 HB2 LYS A 60 19.727 20.462 -26.603 1.00 13.14 H new ATOM 0 HB3 LYS A 60 18.311 21.273 -27.241 1.00 13.14 H new ATOM 0 HG2 LYS A 60 20.722 22.812 -26.237 1.00 72.22 H new ATOM 0 HG3 LYS A 60 20.618 22.217 -27.882 1.00 72.22 H new ATOM 0 HD2 LYS A 60 18.718 23.573 -28.380 1.00 13.20 H new ATOM 0 HD3 LYS A 60 18.386 23.883 -26.687 1.00 13.20 H new ATOM 0 HE2 LYS A 60 20.281 25.334 -26.466 1.00 11.44 H new ATOM 0 HE3 LYS A 60 20.977 24.789 -27.979 1.00 11.44 H new ATOM 0 HZ1 LYS A 60 19.945 26.952 -28.218 1.00 42.14 H new ATOM 0 HZ2 LYS A 60 19.123 25.810 -29.168 1.00 42.14 H new ATOM 0 HZ3 LYS A 60 18.448 26.338 -27.701 1.00 42.14 H new ATOM 943 N ILE A 61 16.193 21.663 -25.015 1.00 2.02 N ATOM 944 CA ILE A 61 14.844 21.124 -24.896 1.00 1.11 C ATOM 945 C ILE A 61 14.419 20.419 -26.179 1.00 52.14 C ATOM 946 O ILE A 61 14.095 19.231 -26.187 1.00 12.34 O ATOM 947 CB ILE A 61 13.823 22.230 -24.568 1.00 61.42 C ATOM 948 CG1 ILE A 61 13.726 22.432 -23.055 1.00 34.43 C ATOM 949 CG2 ILE A 61 12.461 21.882 -25.151 1.00 2.34 C ATOM 950 CD1 ILE A 61 12.919 21.362 -22.353 1.00 72.40 C ATOM 0 H ILE A 61 16.235 22.678 -25.110 1.00 2.02 H new ATOM 0 HA ILE A 61 14.862 20.404 -24.078 1.00 1.11 H new ATOM 0 HB ILE A 61 14.162 23.163 -25.018 1.00 61.42 H new ATOM 0 HG12 ILE A 61 14.731 22.452 -22.634 1.00 34.43 H new ATOM 0 HG13 ILE A 61 13.277 23.405 -22.854 1.00 34.43 H new ATOM 0 HG21 ILE A 61 11.750 22.672 -24.911 1.00 2.34 H new ATOM 0 HG22 ILE A 61 12.543 21.784 -26.233 1.00 2.34 H new ATOM 0 HG23 ILE A 61 12.113 20.940 -24.726 1.00 2.34 H new ATOM 0 HD11 ILE A 61 12.893 21.569 -21.283 1.00 72.40 H new ATOM 0 HD12 ILE A 61 11.903 21.356 -22.747 1.00 72.40 H new ATOM 0 HD13 ILE A 61 13.380 20.389 -22.523 1.00 72.40 H new ATOM 962 N PRO A 62 14.421 21.166 -27.293 1.00 54.24 N ATOM 963 CA PRO A 62 14.040 20.633 -28.605 1.00 13.03 C ATOM 964 C PRO A 62 15.065 19.644 -29.149 1.00 2.24 C ATOM 965 O PRO A 62 14.860 19.039 -30.200 1.00 55.00 O ATOM 966 CB PRO A 62 13.977 21.880 -29.490 1.00 45.12 C ATOM 967 CG PRO A 62 14.893 22.856 -28.835 1.00 62.22 C ATOM 968 CD PRO A 62 14.795 22.589 -27.359 1.00 23.23 C ATOM 0 HA PRO A 62 13.104 20.076 -28.563 1.00 13.03 H new ATOM 0 HB2 PRO A 62 14.296 21.659 -30.508 1.00 45.12 H new ATOM 0 HB3 PRO A 62 12.961 22.270 -29.552 1.00 45.12 H new ATOM 0 HG2 PRO A 62 15.916 22.728 -29.188 1.00 62.22 H new ATOM 0 HG3 PRO A 62 14.602 23.881 -29.066 1.00 62.22 H new ATOM 0 HD2 PRO A 62 15.741 22.780 -26.853 1.00 23.23 H new ATOM 0 HD3 PRO A 62 14.046 23.224 -26.885 1.00 23.23 H new ATOM 976 N GLU A 63 16.169 19.485 -28.425 1.00 42.52 N ATOM 977 CA GLU A 63 17.226 18.570 -28.837 1.00 24.50 C ATOM 978 C GLU A 63 17.298 17.366 -27.902 1.00 24.13 C ATOM 979 O GLU A 63 17.039 16.234 -28.309 1.00 3.25 O ATOM 980 CB GLU A 63 18.576 19.291 -28.862 1.00 75.03 C ATOM 981 CG GLU A 63 19.503 18.809 -29.965 1.00 70.21 C ATOM 982 CD GLU A 63 20.472 19.882 -30.423 1.00 74.33 C ATOM 983 OE1 GLU A 63 20.007 20.981 -30.792 1.00 2.00 O ATOM 984 OE2 GLU A 63 21.693 19.623 -30.414 1.00 30.43 O ATOM 0 H GLU A 63 16.354 19.978 -27.551 1.00 42.52 H new ATOM 0 HA GLU A 63 16.993 18.216 -29.841 1.00 24.50 H new ATOM 0 HB2 GLU A 63 18.405 20.361 -28.984 1.00 75.03 H new ATOM 0 HB3 GLU A 63 19.069 19.155 -27.899 1.00 75.03 H new ATOM 0 HG2 GLU A 63 20.065 17.945 -29.611 1.00 70.21 H new ATOM 0 HG3 GLU A 63 18.908 18.476 -30.815 1.00 70.21 H new ATOM 991 N ASN A 64 17.653 17.620 -26.646 1.00 71.12 N ATOM 992 CA ASN A 64 17.760 16.558 -25.653 1.00 24.24 C ATOM 993 C ASN A 64 16.380 16.043 -25.255 1.00 4.55 C ATOM 994 O ASN A 64 16.061 14.873 -25.459 1.00 61.14 O ATOM 995 CB ASN A 64 18.505 17.062 -24.415 1.00 45.21 C ATOM 996 CG ASN A 64 19.193 15.943 -23.658 1.00 20.42 C ATOM 997 OD1 ASN A 64 20.337 15.592 -23.949 1.00 12.32 O ATOM 998 ND2 ASN A 64 18.496 15.375 -22.680 1.00 63.01 N ATOM 0 H ASN A 64 17.871 18.552 -26.293 1.00 71.12 H new ATOM 0 HA ASN A 64 18.321 15.735 -26.097 1.00 24.24 H new ATOM 0 HB2 ASN A 64 19.246 17.802 -24.717 1.00 45.21 H new ATOM 0 HB3 ASN A 64 17.802 17.567 -23.752 1.00 45.21 H new ATOM 0 HD21 ASN A 64 18.906 14.616 -22.136 1.00 63.01 H new ATOM 0 HD22 ASN A 64 17.551 15.698 -22.473 1.00 63.01 H new ATOM 1005 N GLU A 65 15.567 16.927 -24.685 1.00 52.43 N ATOM 1006 CA GLU A 65 14.221 16.562 -24.259 1.00 2.04 C ATOM 1007 C GLU A 65 13.408 16.017 -25.429 1.00 43.05 C ATOM 1008 O GLU A 65 12.488 15.221 -25.243 1.00 42.40 O ATOM 1009 CB GLU A 65 13.510 17.771 -23.649 1.00 15.44 C ATOM 1010 CG GLU A 65 13.580 17.818 -22.132 1.00 23.15 C ATOM 1011 CD GLU A 65 14.848 18.479 -21.627 1.00 11.34 C ATOM 1012 OE1 GLU A 65 15.885 18.374 -22.314 1.00 4.21 O ATOM 1013 OE2 GLU A 65 14.803 19.101 -20.545 1.00 12.41 O ATOM 0 H GLU A 65 15.817 17.900 -24.508 1.00 52.43 H new ATOM 0 HA GLU A 65 14.307 15.780 -23.504 1.00 2.04 H new ATOM 0 HB2 GLU A 65 13.951 18.683 -24.053 1.00 15.44 H new ATOM 0 HB3 GLU A 65 12.464 17.759 -23.956 1.00 15.44 H new ATOM 0 HG2 GLU A 65 12.715 18.359 -21.749 1.00 23.15 H new ATOM 0 HG3 GLU A 65 13.522 16.804 -21.738 1.00 23.15 H new ATOM 1020 N ALA A 66 13.755 16.452 -26.636 1.00 42.24 N ATOM 1021 CA ALA A 66 13.060 16.008 -27.838 1.00 32.42 C ATOM 1022 C ALA A 66 13.273 14.517 -28.075 1.00 72.54 C ATOM 1023 O ALA A 66 12.583 13.904 -28.889 1.00 62.51 O ATOM 1024 CB ALA A 66 13.526 16.808 -29.044 1.00 44.35 C ATOM 0 H ALA A 66 14.514 17.112 -26.807 1.00 42.24 H new ATOM 0 HA ALA A 66 11.993 16.178 -27.695 1.00 32.42 H new ATOM 0 HB1 ALA A 66 12.998 16.465 -29.934 1.00 44.35 H new ATOM 0 HB2 ALA A 66 13.316 17.865 -28.882 1.00 44.35 H new ATOM 0 HB3 ALA A 66 14.598 16.668 -29.181 1.00 44.35 H new ATOM 1030 N ASN A 67 14.233 13.939 -27.360 1.00 14.20 N ATOM 1031 CA ASN A 67 14.537 12.519 -27.495 1.00 1.25 C ATOM 1032 C ASN A 67 13.385 11.664 -26.975 1.00 41.34 C ATOM 1033 O ASN A 67 13.328 10.462 -27.231 1.00 22.15 O ATOM 1034 CB ASN A 67 15.822 12.178 -26.737 1.00 70.11 C ATOM 1035 CG ASN A 67 15.555 11.768 -25.301 1.00 44.55 C ATOM 1036 OD1 ASN A 67 14.830 12.608 -24.572 1.00 64.31 O flip ATOM 1037 ND2 ASN A 67 15.996 10.710 -24.854 1.00 0.21 N flip ATOM 0 H ASN A 67 14.814 14.432 -26.681 1.00 14.20 H new ATOM 0 HA ASN A 67 14.678 12.302 -28.554 1.00 1.25 H new ATOM 0 HB2 ASN A 67 16.341 11.370 -27.252 1.00 70.11 H new ATOM 0 HB3 ASN A 67 16.487 13.042 -26.748 1.00 70.11 H new ATOM 0 HD21 ASN A 67 16.549 10.095 -25.451 1.00 0.21 H new ATOM 0 HD22 ASN A 67 15.809 10.448 -23.886 1.00 0.21 H new ATOM 1044 N GLU A 68 12.469 12.294 -26.246 1.00 44.43 N ATOM 1045 CA GLU A 68 11.319 11.591 -25.691 1.00 60.24 C ATOM 1046 C GLU A 68 10.255 12.577 -25.218 1.00 74.42 C ATOM 1047 O GLU A 68 9.637 12.385 -24.171 1.00 33.23 O ATOM 1048 CB GLU A 68 11.753 10.695 -24.529 1.00 50.12 C ATOM 1049 CG GLU A 68 11.048 9.350 -24.502 1.00 33.54 C ATOM 1050 CD GLU A 68 11.392 8.486 -25.700 1.00 32.25 C ATOM 1051 OE1 GLU A 68 12.573 8.107 -25.839 1.00 4.21 O ATOM 1052 OE2 GLU A 68 10.478 8.189 -26.498 1.00 22.54 O ATOM 0 H GLU A 68 12.501 13.290 -26.026 1.00 44.43 H new ATOM 0 HA GLU A 68 10.890 10.971 -26.478 1.00 60.24 H new ATOM 0 HB2 GLU A 68 12.829 10.531 -24.590 1.00 50.12 H new ATOM 0 HB3 GLU A 68 11.563 11.214 -23.590 1.00 50.12 H new ATOM 0 HG2 GLU A 68 11.318 8.821 -23.588 1.00 33.54 H new ATOM 0 HG3 GLU A 68 9.970 9.510 -24.472 1.00 33.54 H new ATOM 1059 N PHE A 69 10.046 13.633 -25.997 1.00 65.35 N ATOM 1060 CA PHE A 69 9.058 14.650 -25.658 1.00 44.24 C ATOM 1061 C PHE A 69 7.779 14.457 -26.467 1.00 70.21 C ATOM 1062 O PHE A 69 7.801 13.879 -27.553 1.00 60.12 O ATOM 1063 CB PHE A 69 9.628 16.048 -25.910 1.00 33.02 C ATOM 1064 CG PHE A 69 9.677 16.905 -24.678 1.00 5.54 C ATOM 1065 CD1 PHE A 69 9.996 16.355 -23.447 1.00 34.13 C ATOM 1066 CD2 PHE A 69 9.406 18.262 -24.750 1.00 55.24 C ATOM 1067 CE1 PHE A 69 10.043 17.141 -22.311 1.00 13.21 C ATOM 1068 CE2 PHE A 69 9.451 19.054 -23.618 1.00 64.52 C ATOM 1069 CZ PHE A 69 9.769 18.492 -22.397 1.00 2.22 C ATOM 0 H PHE A 69 10.548 13.807 -26.868 1.00 65.35 H new ATOM 0 HA PHE A 69 8.816 14.548 -24.600 1.00 44.24 H new ATOM 0 HB2 PHE A 69 10.634 15.953 -26.318 1.00 33.02 H new ATOM 0 HB3 PHE A 69 9.023 16.548 -26.667 1.00 33.02 H new ATOM 0 HD1 PHE A 69 10.211 15.299 -23.374 1.00 34.13 H new ATOM 0 HD2 PHE A 69 9.157 18.706 -25.702 1.00 55.24 H new ATOM 0 HE1 PHE A 69 10.294 16.699 -21.358 1.00 13.21 H new ATOM 0 HE2 PHE A 69 9.238 20.110 -23.688 1.00 64.52 H new ATOM 0 HZ PHE A 69 9.803 19.108 -21.511 1.00 2.22 H new ATOM 1079 N GLU A 70 6.666 14.944 -25.928 1.00 52.32 N ATOM 1080 CA GLU A 70 5.377 14.824 -26.599 1.00 32.20 C ATOM 1081 C GLU A 70 4.318 15.670 -25.899 1.00 13.33 C ATOM 1082 O GLU A 70 3.644 16.488 -26.527 1.00 1.03 O ATOM 1083 CB GLU A 70 4.932 13.360 -26.638 1.00 11.33 C ATOM 1084 CG GLU A 70 3.713 13.117 -27.512 1.00 44.45 C ATOM 1085 CD GLU A 70 4.081 12.665 -28.912 1.00 60.32 C ATOM 1086 OE1 GLU A 70 5.026 11.859 -29.045 1.00 44.44 O ATOM 1087 OE2 GLU A 70 3.424 13.115 -29.874 1.00 3.32 O ATOM 0 H GLU A 70 6.631 15.425 -25.029 1.00 52.32 H new ATOM 0 HA GLU A 70 5.492 15.189 -27.620 1.00 32.20 H new ATOM 0 HB2 GLU A 70 5.757 12.748 -27.002 1.00 11.33 H new ATOM 0 HB3 GLU A 70 4.713 13.029 -25.623 1.00 11.33 H new ATOM 0 HG2 GLU A 70 3.080 12.362 -27.045 1.00 44.45 H new ATOM 0 HG3 GLU A 70 3.125 14.033 -27.572 1.00 44.45 H new ATOM 1094 N THR A 71 4.175 15.468 -24.592 1.00 63.04 N ATOM 1095 CA THR A 71 3.198 16.210 -23.806 1.00 41.01 C ATOM 1096 C THR A 71 3.728 16.506 -22.408 1.00 31.03 C ATOM 1097 O THR A 71 4.864 16.166 -22.079 1.00 24.23 O ATOM 1098 CB THR A 71 1.870 15.438 -23.687 1.00 2.50 C ATOM 1099 OG1 THR A 71 2.078 14.213 -22.976 1.00 13.25 O ATOM 1100 CG2 THR A 71 1.292 15.141 -25.062 1.00 62.42 C ATOM 0 H THR A 71 4.724 14.796 -24.056 1.00 63.04 H new ATOM 0 HA THR A 71 3.018 17.149 -24.330 1.00 41.01 H new ATOM 0 HB THR A 71 1.161 16.059 -23.139 1.00 2.50 H new ATOM 0 HG1 THR A 71 1.523 14.205 -22.168 1.00 13.25 H new ATOM 0 HG21 THR A 71 0.355 14.595 -24.953 1.00 62.42 H new ATOM 0 HG22 THR A 71 1.108 16.077 -25.589 1.00 62.42 H new ATOM 0 HG23 THR A 71 1.999 14.537 -25.631 1.00 62.42 H new ATOM 1108 N VAL A 72 2.897 17.141 -21.587 1.00 41.22 N ATOM 1109 CA VAL A 72 3.282 17.481 -20.223 1.00 12.44 C ATOM 1110 C VAL A 72 3.723 16.243 -19.451 1.00 71.30 C ATOM 1111 O VAL A 72 4.686 16.285 -18.687 1.00 31.14 O ATOM 1112 CB VAL A 72 2.124 18.159 -19.466 1.00 2.14 C ATOM 1113 CG1 VAL A 72 2.603 18.692 -18.124 1.00 0.21 C ATOM 1114 CG2 VAL A 72 1.519 19.273 -20.306 1.00 13.31 C ATOM 0 H VAL A 72 1.953 17.430 -21.843 1.00 41.22 H new ATOM 0 HA VAL A 72 4.118 18.177 -20.294 1.00 12.44 H new ATOM 0 HB VAL A 72 1.350 17.415 -19.279 1.00 2.14 H new ATOM 0 HG11 VAL A 72 1.772 19.167 -17.604 1.00 0.21 H new ATOM 0 HG12 VAL A 72 2.985 17.868 -17.521 1.00 0.21 H new ATOM 0 HG13 VAL A 72 3.396 19.423 -18.285 1.00 0.21 H new ATOM 0 HG21 VAL A 72 0.703 19.741 -19.756 1.00 13.31 H new ATOM 0 HG22 VAL A 72 2.283 20.019 -20.526 1.00 13.31 H new ATOM 0 HG23 VAL A 72 1.137 18.859 -21.239 1.00 13.31 H new ATOM 1124 N GLY A 73 3.011 15.139 -19.657 1.00 71.23 N ATOM 1125 CA GLY A 73 3.344 13.903 -18.974 1.00 64.42 C ATOM 1126 C GLY A 73 4.818 13.561 -19.079 1.00 55.31 C ATOM 1127 O GLY A 73 5.421 13.083 -18.118 1.00 72.25 O ATOM 0 H GLY A 73 2.209 15.079 -20.285 1.00 71.23 H new ATOM 0 HA2 GLY A 73 3.068 13.986 -17.923 1.00 64.42 H new ATOM 0 HA3 GLY A 73 2.754 13.089 -19.395 1.00 64.42 H new ATOM 1131 N ASP A 74 5.398 13.806 -20.249 1.00 11.03 N ATOM 1132 CA ASP A 74 6.810 13.521 -20.476 1.00 72.12 C ATOM 1133 C ASP A 74 7.692 14.436 -19.633 1.00 52.50 C ATOM 1134 O ASP A 74 8.687 13.998 -19.056 1.00 42.21 O ATOM 1135 CB ASP A 74 7.153 13.684 -21.958 1.00 11.33 C ATOM 1136 CG ASP A 74 6.471 12.647 -22.828 1.00 12.02 C ATOM 1137 OD1 ASP A 74 5.358 12.208 -22.467 1.00 44.20 O ATOM 1138 OD2 ASP A 74 7.049 12.275 -23.870 1.00 31.41 O ATOM 0 H ASP A 74 4.912 14.201 -21.054 1.00 11.03 H new ATOM 0 HA ASP A 74 7.000 12.490 -20.178 1.00 72.12 H new ATOM 0 HB2 ASP A 74 6.860 14.681 -22.288 1.00 11.33 H new ATOM 0 HB3 ASP A 74 8.233 13.610 -22.088 1.00 11.33 H new ATOM 1143 N VAL A 75 7.320 15.711 -19.567 1.00 3.11 N ATOM 1144 CA VAL A 75 8.077 16.689 -18.794 1.00 62.05 C ATOM 1145 C VAL A 75 8.021 16.375 -17.304 1.00 35.23 C ATOM 1146 O VAL A 75 9.010 16.527 -16.588 1.00 4.31 O ATOM 1147 CB VAL A 75 7.550 18.117 -19.027 1.00 44.53 C ATOM 1148 CG1 VAL A 75 8.546 19.145 -18.511 1.00 22.23 C ATOM 1149 CG2 VAL A 75 7.257 18.343 -20.503 1.00 34.42 C ATOM 0 H VAL A 75 6.499 16.090 -20.039 1.00 3.11 H new ATOM 0 HA VAL A 75 9.111 16.631 -19.135 1.00 62.05 H new ATOM 0 HB VAL A 75 6.619 18.236 -18.472 1.00 44.53 H new ATOM 0 HG11 VAL A 75 8.156 20.148 -18.684 1.00 22.23 H new ATOM 0 HG12 VAL A 75 8.702 18.996 -17.443 1.00 22.23 H new ATOM 0 HG13 VAL A 75 9.494 19.028 -19.036 1.00 22.23 H new ATOM 0 HG21 VAL A 75 6.885 19.357 -20.649 1.00 34.42 H new ATOM 0 HG22 VAL A 75 8.171 18.205 -21.081 1.00 34.42 H new ATOM 0 HG23 VAL A 75 6.504 17.629 -20.838 1.00 34.42 H new ATOM 1159 N VAL A 76 6.855 15.934 -16.841 1.00 53.33 N ATOM 1160 CA VAL A 76 6.668 15.597 -15.435 1.00 63.52 C ATOM 1161 C VAL A 76 7.670 14.538 -14.987 1.00 1.41 C ATOM 1162 O VAL A 76 8.368 14.713 -13.989 1.00 11.11 O ATOM 1163 CB VAL A 76 5.241 15.084 -15.166 1.00 22.34 C ATOM 1164 CG1 VAL A 76 5.034 14.838 -13.679 1.00 21.31 C ATOM 1165 CG2 VAL A 76 4.212 16.068 -15.700 1.00 10.11 C ATOM 0 H VAL A 76 6.026 15.802 -17.420 1.00 53.33 H new ATOM 0 HA VAL A 76 6.830 16.512 -14.865 1.00 63.52 H new ATOM 0 HB VAL A 76 5.109 14.137 -15.689 1.00 22.34 H new ATOM 0 HG11 VAL A 76 4.020 14.476 -13.508 1.00 21.31 H new ATOM 0 HG12 VAL A 76 5.749 14.093 -13.330 1.00 21.31 H new ATOM 0 HG13 VAL A 76 5.184 15.769 -13.132 1.00 21.31 H new ATOM 0 HG21 VAL A 76 3.209 15.690 -15.501 1.00 10.11 H new ATOM 0 HG22 VAL A 76 4.340 17.032 -15.207 1.00 10.11 H new ATOM 0 HG23 VAL A 76 4.348 16.189 -16.775 1.00 10.11 H new ATOM 1175 N ASN A 77 7.736 13.440 -15.732 1.00 75.12 N ATOM 1176 CA ASN A 77 8.652 12.352 -15.411 1.00 45.14 C ATOM 1177 C ASN A 77 10.092 12.741 -15.734 1.00 1.35 C ATOM 1178 O ASN A 77 11.037 12.178 -15.181 1.00 63.23 O ATOM 1179 CB ASN A 77 8.269 11.089 -16.185 1.00 34.13 C ATOM 1180 CG ASN A 77 9.027 10.958 -17.491 1.00 65.21 C ATOM 1181 OD1 ASN A 77 10.201 10.585 -17.506 1.00 13.13 O ATOM 1182 ND2 ASN A 77 8.359 11.265 -18.597 1.00 20.23 N ATOM 0 H ASN A 77 7.166 13.280 -16.563 1.00 75.12 H new ATOM 0 HA ASN A 77 8.578 12.152 -14.342 1.00 45.14 H new ATOM 0 HB2 ASN A 77 8.464 10.214 -15.566 1.00 34.13 H new ATOM 0 HB3 ASN A 77 7.198 11.102 -16.389 1.00 34.13 H new ATOM 0 HD21 ASN A 77 8.818 11.196 -19.505 1.00 20.23 H new ATOM 0 HD22 ASN A 77 7.387 11.570 -18.538 1.00 20.23 H new ATOM 1189 N PHE A 78 10.251 13.709 -16.630 1.00 61.14 N ATOM 1190 CA PHE A 78 11.575 14.174 -17.027 1.00 21.21 C ATOM 1191 C PHE A 78 12.213 15.008 -15.920 1.00 14.23 C ATOM 1192 O PHE A 78 13.334 14.736 -15.490 1.00 71.41 O ATOM 1193 CB PHE A 78 11.486 14.997 -18.314 1.00 31.51 C ATOM 1194 CG PHE A 78 11.898 14.236 -19.542 1.00 32.55 C ATOM 1195 CD1 PHE A 78 11.285 13.036 -19.867 1.00 44.12 C ATOM 1196 CD2 PHE A 78 12.898 14.719 -20.370 1.00 12.44 C ATOM 1197 CE1 PHE A 78 11.662 12.333 -20.996 1.00 52.45 C ATOM 1198 CE2 PHE A 78 13.278 14.021 -21.500 1.00 50.53 C ATOM 1199 CZ PHE A 78 12.660 12.826 -21.813 1.00 42.54 C ATOM 0 H PHE A 78 9.479 14.187 -17.095 1.00 61.14 H new ATOM 0 HA PHE A 78 12.201 13.300 -17.206 1.00 21.21 H new ATOM 0 HB2 PHE A 78 10.462 15.349 -18.441 1.00 31.51 H new ATOM 0 HB3 PHE A 78 12.117 15.881 -18.215 1.00 31.51 H new ATOM 0 HD1 PHE A 78 10.504 12.646 -19.231 1.00 44.12 H new ATOM 0 HD2 PHE A 78 13.386 15.652 -20.129 1.00 12.44 H new ATOM 0 HE1 PHE A 78 11.177 11.399 -21.239 1.00 52.45 H new ATOM 0 HE2 PHE A 78 14.058 14.409 -22.138 1.00 50.53 H new ATOM 0 HZ PHE A 78 12.957 12.278 -22.695 1.00 42.54 H new ATOM 1209 N ILE A 79 11.490 16.026 -15.463 1.00 60.43 N ATOM 1210 CA ILE A 79 11.984 16.899 -14.407 1.00 0.45 C ATOM 1211 C ILE A 79 12.081 16.156 -13.079 1.00 31.23 C ATOM 1212 O ILE A 79 12.804 16.571 -12.173 1.00 10.11 O ATOM 1213 CB ILE A 79 11.079 18.133 -14.227 1.00 21.44 C ATOM 1214 CG1 ILE A 79 10.937 18.886 -15.551 1.00 31.50 C ATOM 1215 CG2 ILE A 79 11.639 19.048 -13.148 1.00 63.12 C ATOM 1216 CD1 ILE A 79 10.049 20.107 -15.459 1.00 45.13 C ATOM 0 H ILE A 79 10.561 16.265 -15.808 1.00 60.43 H new ATOM 0 HA ILE A 79 12.978 17.228 -14.710 1.00 0.45 H new ATOM 0 HB ILE A 79 10.090 17.797 -13.914 1.00 21.44 H new ATOM 0 HG12 ILE A 79 11.926 19.191 -15.894 1.00 31.50 H new ATOM 0 HG13 ILE A 79 10.533 18.209 -16.303 1.00 31.50 H new ATOM 0 HG21 ILE A 79 10.989 19.915 -13.033 1.00 63.12 H new ATOM 0 HG22 ILE A 79 11.693 18.506 -12.204 1.00 63.12 H new ATOM 0 HG23 ILE A 79 12.637 19.379 -13.434 1.00 63.12 H new ATOM 0 HD11 ILE A 79 9.994 20.591 -16.434 1.00 45.13 H new ATOM 0 HD12 ILE A 79 9.049 19.807 -15.146 1.00 45.13 H new ATOM 0 HD13 ILE A 79 10.463 20.804 -14.731 1.00 45.13 H new ATOM 1228 N LYS A 80 11.349 15.052 -12.970 1.00 54.51 N ATOM 1229 CA LYS A 80 11.353 14.247 -11.755 1.00 0.24 C ATOM 1230 C LYS A 80 12.599 13.370 -11.688 1.00 31.41 C ATOM 1231 O LYS A 80 13.333 13.390 -10.700 1.00 22.22 O ATOM 1232 CB LYS A 80 10.098 13.374 -11.692 1.00 15.41 C ATOM 1233 CG LYS A 80 8.902 14.072 -11.066 1.00 42.34 C ATOM 1234 CD LYS A 80 7.611 13.320 -11.341 1.00 53.42 C ATOM 1235 CE LYS A 80 7.714 11.863 -10.920 1.00 21.40 C ATOM 1236 NZ LYS A 80 6.397 11.314 -10.492 1.00 4.33 N ATOM 0 H LYS A 80 10.745 14.694 -13.710 1.00 54.51 H new ATOM 0 HA LYS A 80 11.360 14.924 -10.901 1.00 0.24 H new ATOM 0 HB2 LYS A 80 9.836 13.056 -12.701 1.00 15.41 H new ATOM 0 HB3 LYS A 80 10.321 12.472 -11.122 1.00 15.41 H new ATOM 0 HG2 LYS A 80 9.052 14.158 -9.990 1.00 42.34 H new ATOM 0 HG3 LYS A 80 8.824 15.086 -11.459 1.00 42.34 H new ATOM 0 HD2 LYS A 80 6.790 13.797 -10.806 1.00 53.42 H new ATOM 0 HD3 LYS A 80 7.375 13.377 -12.404 1.00 53.42 H new ATOM 0 HE2 LYS A 80 8.101 11.272 -11.750 1.00 21.40 H new ATOM 0 HE3 LYS A 80 8.429 11.771 -10.102 1.00 21.40 H new ATOM 0 HZ1 LYS A 80 6.548 10.497 -9.867 1.00 4.33 H new ATOM 0 HZ2 LYS A 80 5.865 12.047 -9.981 1.00 4.33 H new ATOM 0 HZ3 LYS A 80 5.857 11.014 -11.329 1.00 4.33 H new ATOM 1250 N LYS A 81 12.833 12.601 -12.746 1.00 35.51 N ATOM 1251 CA LYS A 81 13.991 11.717 -12.810 1.00 0.45 C ATOM 1252 C LYS A 81 15.287 12.521 -12.838 1.00 0.32 C ATOM 1253 O LYS A 81 16.295 12.112 -12.262 1.00 30.15 O ATOM 1254 CB LYS A 81 13.907 10.821 -14.047 1.00 63.00 C ATOM 1255 CG LYS A 81 14.077 11.573 -15.356 1.00 12.24 C ATOM 1256 CD LYS A 81 15.512 11.515 -15.850 1.00 43.33 C ATOM 1257 CE LYS A 81 15.627 12.005 -17.286 1.00 4.14 C ATOM 1258 NZ LYS A 81 16.120 10.937 -18.198 1.00 63.34 N ATOM 0 H LYS A 81 12.235 12.572 -13.572 1.00 35.51 H new ATOM 0 HA LYS A 81 13.990 11.092 -11.917 1.00 0.45 H new ATOM 0 HB2 LYS A 81 14.674 10.049 -13.979 1.00 63.00 H new ATOM 0 HB3 LYS A 81 12.943 10.313 -14.052 1.00 63.00 H new ATOM 0 HG2 LYS A 81 13.414 11.148 -16.110 1.00 12.24 H new ATOM 0 HG3 LYS A 81 13.780 12.613 -15.221 1.00 12.24 H new ATOM 0 HD2 LYS A 81 16.145 12.124 -15.205 1.00 43.33 H new ATOM 0 HD3 LYS A 81 15.880 10.491 -15.783 1.00 43.33 H new ATOM 0 HE2 LYS A 81 14.654 12.355 -17.629 1.00 4.14 H new ATOM 0 HE3 LYS A 81 16.305 12.858 -17.326 1.00 4.14 H new ATOM 0 HZ1 LYS A 81 16.185 11.310 -19.167 1.00 63.34 H new ATOM 0 HZ2 LYS A 81 17.060 10.620 -17.886 1.00 63.34 H new ATOM 0 HZ3 LYS A 81 15.460 10.133 -18.180 1.00 63.34 H new ATOM 1272 N ARG A 82 15.253 13.667 -13.510 1.00 52.13 N ATOM 1273 CA ARG A 82 16.425 14.528 -13.613 1.00 12.12 C ATOM 1274 C ARG A 82 16.773 15.137 -12.257 1.00 73.54 C ATOM 1275 O ARG A 82 17.915 15.527 -12.015 1.00 13.35 O ATOM 1276 CB ARG A 82 16.180 15.640 -14.635 1.00 33.41 C ATOM 1277 CG ARG A 82 15.521 16.875 -14.044 1.00 53.45 C ATOM 1278 CD ARG A 82 15.379 17.980 -15.080 1.00 64.01 C ATOM 1279 NE ARG A 82 14.814 17.486 -16.333 1.00 12.51 N ATOM 1280 CZ ARG A 82 15.549 17.060 -17.354 1.00 2.33 C ATOM 1281 NH1 ARG A 82 16.872 17.067 -17.270 1.00 64.22 N ATOM 1282 NH2 ARG A 82 14.961 16.626 -18.461 1.00 31.20 N ATOM 0 H ARG A 82 14.426 14.021 -13.991 1.00 52.13 H new ATOM 0 HA ARG A 82 17.265 13.917 -13.945 1.00 12.12 H new ATOM 0 HB2 ARG A 82 17.131 15.926 -15.084 1.00 33.41 H new ATOM 0 HB3 ARG A 82 15.553 15.253 -15.438 1.00 33.41 H new ATOM 0 HG2 ARG A 82 14.538 16.613 -13.653 1.00 53.45 H new ATOM 0 HG3 ARG A 82 16.112 17.237 -13.203 1.00 53.45 H new ATOM 0 HD2 ARG A 82 14.743 18.770 -14.682 1.00 64.01 H new ATOM 0 HD3 ARG A 82 16.356 18.424 -15.273 1.00 64.01 H new ATOM 0 HE ARG A 82 13.799 17.467 -16.429 1.00 12.51 H new ATOM 0 HH11 ARG A 82 17.327 17.400 -16.420 1.00 64.22 H new ATOM 0 HH12 ARG A 82 17.435 16.739 -18.055 1.00 64.22 H new ATOM 0 HH21 ARG A 82 13.943 16.619 -18.529 1.00 31.20 H new ATOM 0 HH22 ARG A 82 15.527 16.299 -19.244 1.00 31.20 H new ATOM 1296 N LYS A 83 15.780 15.214 -11.377 1.00 43.23 N ATOM 1297 CA LYS A 83 15.980 15.774 -10.046 1.00 32.02 C ATOM 1298 C LYS A 83 16.259 14.672 -9.029 1.00 2.23 C ATOM 1299 O LYS A 83 17.355 14.588 -8.475 1.00 14.51 O ATOM 1300 CB LYS A 83 14.749 16.577 -9.618 1.00 45.43 C ATOM 1301 CG LYS A 83 15.061 17.685 -8.627 1.00 12.11 C ATOM 1302 CD LYS A 83 13.877 17.969 -7.718 1.00 54.11 C ATOM 1303 CE LYS A 83 13.964 17.174 -6.424 1.00 50.51 C ATOM 1304 NZ LYS A 83 13.253 17.855 -5.306 1.00 61.23 N ATOM 0 H LYS A 83 14.829 14.896 -11.562 1.00 43.23 H new ATOM 0 HA LYS A 83 16.844 16.437 -10.084 1.00 32.02 H new ATOM 0 HB2 LYS A 83 14.284 17.012 -10.502 1.00 45.43 H new ATOM 0 HB3 LYS A 83 14.019 15.899 -9.175 1.00 45.43 H new ATOM 0 HG2 LYS A 83 15.924 17.403 -8.024 1.00 12.11 H new ATOM 0 HG3 LYS A 83 15.332 18.592 -9.167 1.00 12.11 H new ATOM 0 HD2 LYS A 83 13.839 19.034 -7.490 1.00 54.11 H new ATOM 0 HD3 LYS A 83 12.951 17.721 -8.237 1.00 54.11 H new ATOM 0 HE2 LYS A 83 13.536 16.183 -6.577 1.00 50.51 H new ATOM 0 HE3 LYS A 83 15.011 17.031 -6.155 1.00 50.51 H new ATOM 0 HZ1 LYS A 83 13.944 18.164 -4.593 1.00 61.23 H new ATOM 0 HZ2 LYS A 83 12.740 18.682 -5.673 1.00 61.23 H new ATOM 0 HZ3 LYS A 83 12.578 17.195 -4.871 1.00 61.23 H new ATOM 1318 N GLY A 84 15.261 13.827 -8.788 1.00 51.35 N ATOM 1319 CA GLY A 84 15.420 12.741 -7.839 1.00 43.23 C ATOM 1320 C GLY A 84 14.917 11.418 -8.382 1.00 44.32 C ATOM 1321 O GLY A 84 15.214 10.360 -7.828 1.00 74.33 O ATOM 0 H GLY A 84 14.345 13.876 -9.234 1.00 51.35 H new ATOM 0 HA2 GLY A 84 16.473 12.645 -7.575 1.00 43.23 H new ATOM 0 HA3 GLY A 84 14.882 12.982 -6.922 1.00 43.23 H new TER 1325 GLY A 84