USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 780 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 80 SER OG : rot 71:sc= 2.36 USER MOD Set 1.2: A 82 SER OG : rot -91:sc= 1.25 USER MOD Set 2.1: A 61 MET CE :methyl -170:sc= -0.299 (180deg=-0.411) USER MOD Set 2.2: A 63 CYS SG : rot 140:sc= -0.395 USER MOD Set 3.1: A 41 TYR OH : rot -106:sc= 1.77 USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0.00881 USER MOD Set 4.1: A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 62 SER OG : rot -53:sc= 1.31 USER MOD Set 5.1: A 10 HIS : no HD1:sc= 0.193 K(o=1.9,f=-2.1) USER MOD Set 5.2: A 123 THR OG1 : rot 123:sc= 1.7 USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0231 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.37 K(o=-0.37,f=-1.7!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 16 GLN : amide:sc= -0.552 K(o=-0.55,f=-3.7!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0603 USER MOD Single : A 22 SER OG : rot -120:sc= -0.0525 USER MOD Single : A 26 SER OG : rot 39:sc= 0.134 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN :FLIP amide:sc= -3.21! C(o=-4.4!,f=-3.2!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 32:sc= 0.127 USER MOD Single : A 52 TYR OH : rot 1:sc= -0.308 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 1.13 K(o=1.1,f=-3.4) USER MOD Single : A 58 THR OG1 : rot 147:sc= 0.685 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 67:sc= 1.16 USER MOD Single : A 66 ASN : amide:sc= 0.276 K(o=0.28,f=-5.9!) USER MOD Single : A 68 ASN : amide:sc= 0.0298 X(o=0.03,f=-0.0006) USER MOD Single : A 72 MET CE :methyl 146:sc= -0.3 (180deg=-0.746) USER MOD Single : A 73 THR OG1 : rot 180:sc=-0.00773 USER MOD Single : A 74 CYS SG : rot 110:sc= -2.16! USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 34:sc= 0.219 USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.17) USER MOD Single : A 89 HIS : no HE2:sc= 0.817 K(o=0.82,f=-2.9!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.304 K(o=-0.3,f=-3.2!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= -0.273 USER MOD Single : A 110 THR OG1 : rot 180:sc= 1.42 USER MOD Single : A 113 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.47) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0992 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00302) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.109 -17.113 14.900 1.00 25.23 N ATOM 2 CA GLY A 1 18.792 -16.224 13.781 1.00 61.14 C ATOM 3 C GLY A 1 17.516 -15.460 14.071 1.00 10.55 C ATOM 4 O GLY A 1 17.318 -15.025 15.203 1.00 1.23 O ATOM 0 H1 GLY A 1 20.124 -17.050 15.117 1.00 25.23 H new ATOM 0 H2 GLY A 1 18.558 -16.830 15.735 1.00 25.23 H new ATOM 0 H3 GLY A 1 18.870 -18.092 14.644 1.00 25.23 H new ATOM 0 HA2 GLY A 1 19.613 -15.527 13.616 1.00 61.14 H new ATOM 0 HA3 GLY A 1 18.678 -16.805 12.866 1.00 61.14 H new ATOM 8 N ALA A 2 16.645 -15.303 13.074 1.00 41.11 N ATOM 9 CA ALA A 2 15.291 -14.790 13.235 1.00 24.41 C ATOM 10 C ALA A 2 14.446 -15.293 12.070 1.00 23.43 C ATOM 11 O ALA A 2 14.981 -15.557 10.987 1.00 13.11 O ATOM 12 CB ALA A 2 15.314 -13.263 13.214 1.00 51.31 C ATOM 0 H ALA A 2 16.871 -15.536 12.107 1.00 41.11 H new ATOM 0 HA ALA A 2 14.874 -15.129 14.183 1.00 24.41 H new ATOM 0 HB1 ALA A 2 14.300 -12.882 13.335 1.00 51.31 H new ATOM 0 HB2 ALA A 2 15.938 -12.897 14.029 1.00 51.31 H new ATOM 0 HB3 ALA A 2 15.720 -12.918 12.263 1.00 51.31 H new ATOM 18 N SER A 3 13.137 -15.376 12.252 1.00 22.55 N ATOM 19 CA SER A 3 12.185 -15.636 11.191 1.00 43.33 C ATOM 20 C SER A 3 10.846 -15.042 11.613 1.00 12.45 C ATOM 21 O SER A 3 10.577 -14.890 12.808 1.00 50.11 O ATOM 22 CB SER A 3 12.109 -17.142 10.884 1.00 22.52 C ATOM 23 OG SER A 3 12.250 -17.984 12.019 1.00 73.24 O ATOM 0 H SER A 3 12.700 -15.261 13.166 1.00 22.55 H new ATOM 0 HA SER A 3 12.497 -15.164 10.259 1.00 43.33 H new ATOM 0 HB2 SER A 3 11.152 -17.354 10.407 1.00 22.52 H new ATOM 0 HB3 SER A 3 12.887 -17.392 10.163 1.00 22.52 H new ATOM 0 HG SER A 3 12.189 -18.922 11.740 1.00 73.24 H new ATOM 28 N ASP A 4 10.028 -14.675 10.633 1.00 25.15 N ATOM 29 CA ASP A 4 8.791 -13.922 10.797 1.00 5.41 C ATOM 30 C ASP A 4 8.054 -14.021 9.465 1.00 42.03 C ATOM 31 O ASP A 4 8.642 -13.751 8.414 1.00 72.11 O ATOM 32 CB ASP A 4 9.050 -12.458 11.209 1.00 53.34 C ATOM 33 CG ASP A 4 10.061 -11.685 10.352 1.00 2.21 C ATOM 34 OD1 ASP A 4 11.282 -11.947 10.446 1.00 5.23 O ATOM 35 OD2 ASP A 4 9.673 -10.724 9.649 1.00 61.33 O ATOM 0 H ASP A 4 10.218 -14.905 9.658 1.00 25.15 H new ATOM 0 HA ASP A 4 8.190 -14.336 11.607 1.00 5.41 H new ATOM 0 HB2 ASP A 4 8.101 -11.922 11.187 1.00 53.34 H new ATOM 0 HB3 ASP A 4 9.398 -12.449 12.242 1.00 53.34 H new ATOM 39 N PHE A 5 6.826 -14.544 9.485 1.00 64.42 N ATOM 40 CA PHE A 5 6.029 -14.940 8.339 1.00 53.40 C ATOM 41 C PHE A 5 4.537 -14.769 8.637 1.00 43.01 C ATOM 42 O PHE A 5 3.914 -15.538 9.381 1.00 33.11 O ATOM 43 CB PHE A 5 6.415 -16.322 7.840 1.00 34.35 C ATOM 44 CG PHE A 5 6.260 -17.432 8.834 1.00 64.22 C ATOM 45 CD1 PHE A 5 7.187 -17.549 9.870 1.00 1.04 C ATOM 46 CD2 PHE A 5 5.184 -18.320 8.726 1.00 34.11 C ATOM 47 CE1 PHE A 5 7.046 -18.571 10.823 1.00 61.41 C ATOM 48 CE2 PHE A 5 5.053 -19.363 9.658 1.00 4.41 C ATOM 49 CZ PHE A 5 5.982 -19.486 10.708 1.00 70.11 C ATOM 0 H PHE A 5 6.336 -14.710 10.364 1.00 64.42 H new ATOM 0 HA PHE A 5 6.247 -14.273 7.505 1.00 53.40 H new ATOM 0 HB2 PHE A 5 5.810 -16.555 6.964 1.00 34.35 H new ATOM 0 HB3 PHE A 5 7.454 -16.294 7.512 1.00 34.35 H new ATOM 0 HD1 PHE A 5 8.012 -16.855 9.939 1.00 1.04 H new ATOM 0 HD2 PHE A 5 4.460 -18.205 7.933 1.00 34.11 H new ATOM 0 HE1 PHE A 5 7.749 -18.654 11.639 1.00 61.41 H new ATOM 0 HE2 PHE A 5 4.241 -20.069 9.569 1.00 4.41 H new ATOM 0 HZ PHE A 5 5.878 -20.285 11.428 1.00 70.11 H new ATOM 58 N GLN A 6 3.971 -13.707 8.071 1.00 50.01 N ATOM 59 CA GLN A 6 2.669 -13.161 8.409 1.00 24.43 C ATOM 60 C GLN A 6 1.827 -13.005 7.145 1.00 53.40 C ATOM 61 O GLN A 6 2.115 -12.164 6.292 1.00 53.34 O ATOM 62 CB GLN A 6 2.860 -11.843 9.177 1.00 45.24 C ATOM 63 CG GLN A 6 2.854 -12.077 10.695 1.00 25.25 C ATOM 64 CD GLN A 6 1.427 -12.047 11.245 1.00 12.11 C ATOM 65 OE1 GLN A 6 0.560 -12.790 10.795 1.00 31.25 O ATOM 66 NE2 GLN A 6 1.137 -11.149 12.174 1.00 64.12 N ATOM 0 H GLN A 6 4.434 -13.182 7.329 1.00 50.01 H new ATOM 0 HA GLN A 6 2.122 -13.841 9.063 1.00 24.43 H new ATOM 0 HB2 GLN A 6 3.802 -11.381 8.882 1.00 45.24 H new ATOM 0 HB3 GLN A 6 2.065 -11.146 8.911 1.00 45.24 H new ATOM 0 HG2 GLN A 6 3.315 -13.038 10.921 1.00 25.25 H new ATOM 0 HG3 GLN A 6 3.454 -11.312 11.188 1.00 25.25 H new ATOM 0 HE21 GLN A 6 1.868 -10.538 12.539 1.00 64.12 H new ATOM 0 HE22 GLN A 6 0.183 -11.068 12.525 1.00 64.12 H new ATOM 73 N THR A 7 0.809 -13.855 7.029 1.00 61.52 N ATOM 74 CA THR A 7 -0.240 -13.825 6.011 1.00 43.22 C ATOM 75 C THR A 7 -1.629 -13.985 6.662 1.00 61.12 C ATOM 76 O THR A 7 -1.745 -14.078 7.891 1.00 45.04 O ATOM 77 CB THR A 7 0.069 -14.847 4.890 1.00 10.45 C ATOM 78 OG1 THR A 7 0.663 -16.048 5.365 1.00 44.30 O ATOM 79 CG2 THR A 7 1.058 -14.253 3.885 1.00 42.10 C ATOM 0 H THR A 7 0.687 -14.629 7.682 1.00 61.52 H new ATOM 0 HA THR A 7 -0.260 -12.851 5.522 1.00 43.22 H new ATOM 0 HB THR A 7 -0.898 -15.075 4.441 1.00 10.45 H new ATOM 0 HG1 THR A 7 0.831 -16.650 4.611 1.00 44.30 H new ATOM 0 HG21 THR A 7 1.265 -14.984 3.103 1.00 42.10 H new ATOM 0 HG22 THR A 7 0.629 -13.356 3.439 1.00 42.10 H new ATOM 0 HG23 THR A 7 1.986 -13.996 4.396 1.00 42.10 H new ATOM 87 N GLY A 8 -2.696 -13.925 5.861 1.00 3.15 N ATOM 88 CA GLY A 8 -4.069 -13.689 6.298 1.00 3.11 C ATOM 89 C GLY A 8 -4.602 -12.492 5.520 1.00 61.40 C ATOM 90 O GLY A 8 -4.421 -12.440 4.303 1.00 64.23 O ATOM 0 H GLY A 8 -2.621 -14.045 4.851 1.00 3.15 H new ATOM 0 HA2 GLY A 8 -4.685 -14.569 6.115 1.00 3.11 H new ATOM 0 HA3 GLY A 8 -4.101 -13.494 7.370 1.00 3.11 H new ATOM 94 N ILE A 9 -5.168 -11.497 6.199 1.00 54.23 N ATOM 95 CA ILE A 9 -5.786 -10.309 5.620 1.00 54.21 C ATOM 96 C ILE A 9 -4.805 -9.130 5.643 1.00 14.42 C ATOM 97 O ILE A 9 -4.332 -8.717 6.711 1.00 43.42 O ATOM 98 CB ILE A 9 -7.116 -10.027 6.372 1.00 22.51 C ATOM 99 CG1 ILE A 9 -8.219 -11.027 5.930 1.00 13.04 C ATOM 100 CG2 ILE A 9 -7.664 -8.593 6.194 1.00 4.01 C ATOM 101 CD1 ILE A 9 -8.177 -12.407 6.594 1.00 73.54 C ATOM 0 H ILE A 9 -5.210 -11.499 7.218 1.00 54.23 H new ATOM 0 HA ILE A 9 -6.029 -10.468 4.569 1.00 54.21 H new ATOM 0 HB ILE A 9 -6.867 -10.149 7.426 1.00 22.51 H new ATOM 0 HG12 ILE A 9 -9.191 -10.578 6.132 1.00 13.04 H new ATOM 0 HG13 ILE A 9 -8.148 -11.162 4.851 1.00 13.04 H new ATOM 0 HG21 ILE A 9 -8.594 -8.487 6.753 1.00 4.01 H new ATOM 0 HG22 ILE A 9 -6.933 -7.875 6.566 1.00 4.01 H new ATOM 0 HG23 ILE A 9 -7.853 -8.404 5.137 1.00 4.01 H new ATOM 0 HD11 ILE A 9 -8.992 -13.020 6.210 1.00 73.54 H new ATOM 0 HD12 ILE A 9 -7.225 -12.889 6.372 1.00 73.54 H new ATOM 0 HD13 ILE A 9 -8.284 -12.295 7.673 1.00 73.54 H new ATOM 112 N HIS A 10 -4.533 -8.554 4.469 1.00 73.50 N ATOM 113 CA HIS A 10 -3.790 -7.307 4.312 1.00 61.40 C ATOM 114 C HIS A 10 -4.774 -6.137 4.209 1.00 50.32 C ATOM 115 O HIS A 10 -5.861 -6.264 3.635 1.00 34.35 O ATOM 116 CB HIS A 10 -2.936 -7.348 3.040 1.00 51.51 C ATOM 117 CG HIS A 10 -1.879 -8.423 3.030 1.00 51.51 C ATOM 118 ND1 HIS A 10 -0.575 -8.293 3.450 1.00 62.01 N ATOM 119 CD2 HIS A 10 -2.051 -9.712 2.614 1.00 41.53 C ATOM 120 CE1 HIS A 10 0.033 -9.480 3.287 1.00 5.45 C ATOM 121 NE2 HIS A 10 -0.830 -10.375 2.774 1.00 4.33 N ATOM 0 H HIS A 10 -4.833 -8.955 3.580 1.00 73.50 H new ATOM 0 HA HIS A 10 -3.139 -7.179 5.177 1.00 61.40 H new ATOM 0 HB2 HIS A 10 -3.592 -7.493 2.182 1.00 51.51 H new ATOM 0 HB3 HIS A 10 -2.452 -6.380 2.911 1.00 51.51 H new ATOM 0 HD2 HIS A 10 -2.965 -10.142 2.231 1.00 41.53 H new ATOM 0 HE1 HIS A 10 1.065 -9.686 3.532 1.00 5.45 H new ATOM 0 HE2 HIS A 10 -0.632 -11.349 2.546 1.00 4.33 H new ATOM 128 N LYS A 11 -4.382 -4.970 4.720 1.00 72.20 N ATOM 129 CA LYS A 11 -5.181 -3.754 4.685 1.00 64.41 C ATOM 130 C LYS A 11 -4.250 -2.549 4.611 1.00 54.50 C ATOM 131 O LYS A 11 -3.118 -2.592 5.101 1.00 31.22 O ATOM 132 CB LYS A 11 -6.125 -3.744 5.906 1.00 50.34 C ATOM 133 CG LYS A 11 -6.820 -2.397 6.134 1.00 54.43 C ATOM 134 CD LYS A 11 -8.142 -2.516 6.886 1.00 71.53 C ATOM 135 CE LYS A 11 -8.719 -1.102 6.983 1.00 42.34 C ATOM 136 NZ LYS A 11 -10.187 -1.086 7.112 1.00 4.05 N ATOM 0 H LYS A 11 -3.480 -4.845 5.179 1.00 72.20 H new ATOM 0 HA LYS A 11 -5.814 -3.709 3.799 1.00 64.41 H new ATOM 0 HB2 LYS A 11 -6.883 -4.517 5.775 1.00 50.34 H new ATOM 0 HB3 LYS A 11 -5.555 -4.005 6.798 1.00 50.34 H new ATOM 0 HG2 LYS A 11 -6.151 -1.741 6.692 1.00 54.43 H new ATOM 0 HG3 LYS A 11 -7.001 -1.922 5.170 1.00 54.43 H new ATOM 0 HD2 LYS A 11 -8.829 -3.179 6.360 1.00 71.53 H new ATOM 0 HD3 LYS A 11 -7.987 -2.940 7.878 1.00 71.53 H new ATOM 0 HE2 LYS A 11 -8.279 -0.594 7.841 1.00 42.34 H new ATOM 0 HE3 LYS A 11 -8.432 -0.537 6.096 1.00 42.34 H new ATOM 0 HZ1 LYS A 11 -10.519 -0.102 7.173 1.00 4.05 H new ATOM 0 HZ2 LYS A 11 -10.613 -1.544 6.282 1.00 4.05 H new ATOM 0 HZ3 LYS A 11 -10.466 -1.600 7.972 1.00 4.05 H new ATOM 146 N ILE A 12 -4.739 -1.471 4.011 1.00 52.41 N ATOM 147 CA ILE A 12 -4.106 -0.171 3.865 1.00 13.31 C ATOM 148 C ILE A 12 -5.115 0.865 4.368 1.00 12.24 C ATOM 149 O ILE A 12 -6.329 0.663 4.279 1.00 2.44 O ATOM 150 CB ILE A 12 -3.692 -0.008 2.379 1.00 14.42 C ATOM 151 CG1 ILE A 12 -2.433 -0.845 2.044 1.00 42.24 C ATOM 152 CG2 ILE A 12 -3.533 1.452 1.937 1.00 74.23 C ATOM 153 CD1 ILE A 12 -1.106 -0.252 2.536 1.00 25.22 C ATOM 0 H ILE A 12 -5.663 -1.487 3.580 1.00 52.41 H new ATOM 0 HA ILE A 12 -3.194 -0.047 4.448 1.00 13.31 H new ATOM 0 HB ILE A 12 -4.526 -0.401 1.797 1.00 14.42 H new ATOM 0 HG12 ILE A 12 -2.551 -1.839 2.476 1.00 42.24 H new ATOM 0 HG13 ILE A 12 -2.377 -0.972 0.963 1.00 42.24 H new ATOM 0 HG21 ILE A 12 -3.243 1.485 0.887 1.00 74.23 H new ATOM 0 HG22 ILE A 12 -4.479 1.977 2.068 1.00 74.23 H new ATOM 0 HG23 ILE A 12 -2.764 1.933 2.541 1.00 74.23 H new ATOM 0 HD11 ILE A 12 -0.286 -0.911 2.253 1.00 25.22 H new ATOM 0 HD12 ILE A 12 -0.956 0.729 2.084 1.00 25.22 H new ATOM 0 HD13 ILE A 12 -1.132 -0.152 3.621 1.00 25.22 H new ATOM 164 N VAL A 13 -4.606 1.970 4.914 1.00 61.22 N ATOM 165 CA VAL A 13 -5.366 3.112 5.406 1.00 65.23 C ATOM 166 C VAL A 13 -4.566 4.341 4.985 1.00 12.43 C ATOM 167 O VAL A 13 -3.345 4.371 5.186 1.00 4.44 O ATOM 168 CB VAL A 13 -5.505 3.019 6.939 1.00 22.45 C ATOM 169 CG1 VAL A 13 -6.221 4.237 7.527 1.00 74.24 C ATOM 170 CG2 VAL A 13 -6.277 1.763 7.375 1.00 74.44 C ATOM 0 H VAL A 13 -3.600 2.096 5.029 1.00 61.22 H new ATOM 0 HA VAL A 13 -6.378 3.153 5.003 1.00 65.23 H new ATOM 0 HB VAL A 13 -4.484 2.973 7.318 1.00 22.45 H new ATOM 0 HG11 VAL A 13 -6.296 4.128 8.609 1.00 74.24 H new ATOM 0 HG12 VAL A 13 -5.657 5.139 7.292 1.00 74.24 H new ATOM 0 HG13 VAL A 13 -7.221 4.313 7.100 1.00 74.24 H new ATOM 0 HG21 VAL A 13 -6.350 1.740 8.462 1.00 74.44 H new ATOM 0 HG22 VAL A 13 -7.278 1.784 6.944 1.00 74.44 H new ATOM 0 HG23 VAL A 13 -5.751 0.874 7.028 1.00 74.44 H new ATOM 180 N ILE A 14 -5.224 5.338 4.389 1.00 54.41 N ATOM 181 CA ILE A 14 -4.553 6.509 3.826 1.00 31.30 C ATOM 182 C ILE A 14 -5.239 7.736 4.412 1.00 61.22 C ATOM 183 O ILE A 14 -6.437 7.692 4.687 1.00 63.42 O ATOM 184 CB ILE A 14 -4.643 6.466 2.282 1.00 62.42 C ATOM 185 CG1 ILE A 14 -4.079 5.150 1.698 1.00 43.24 C ATOM 186 CG2 ILE A 14 -3.912 7.665 1.656 1.00 50.34 C ATOM 187 CD1 ILE A 14 -4.492 4.917 0.245 1.00 22.00 C ATOM 0 H ILE A 14 -6.238 5.355 4.284 1.00 54.41 H new ATOM 0 HA ILE A 14 -3.492 6.534 4.076 1.00 31.30 H new ATOM 0 HB ILE A 14 -5.702 6.517 2.031 1.00 62.42 H new ATOM 0 HG12 ILE A 14 -2.991 5.167 1.763 1.00 43.24 H new ATOM 0 HG13 ILE A 14 -4.421 4.313 2.306 1.00 43.24 H new ATOM 0 HG21 ILE A 14 -3.990 7.612 0.570 1.00 50.34 H new ATOM 0 HG22 ILE A 14 -4.366 8.592 2.007 1.00 50.34 H new ATOM 0 HG23 ILE A 14 -2.862 7.643 1.946 1.00 50.34 H new ATOM 0 HD11 ILE A 14 -4.066 3.978 -0.108 1.00 22.00 H new ATOM 0 HD12 ILE A 14 -5.579 4.870 0.179 1.00 22.00 H new ATOM 0 HD13 ILE A 14 -4.126 5.737 -0.373 1.00 22.00 H new ATOM 198 N GLN A 15 -4.513 8.836 4.593 1.00 63.15 N ATOM 199 CA GLN A 15 -5.068 10.068 5.122 1.00 72.41 C ATOM 200 C GLN A 15 -4.383 11.254 4.470 1.00 42.33 C ATOM 201 O GLN A 15 -3.272 11.124 3.944 1.00 2.11 O ATOM 202 CB GLN A 15 -4.834 10.174 6.639 1.00 0.42 C ATOM 203 CG GLN A 15 -5.157 8.919 7.456 1.00 64.11 C ATOM 204 CD GLN A 15 -4.726 9.013 8.925 1.00 32.41 C ATOM 205 OE1 GLN A 15 -3.909 9.845 9.311 1.00 33.32 O ATOM 206 NE2 GLN A 15 -5.243 8.141 9.775 1.00 44.34 N ATOM 0 H GLN A 15 -3.518 8.893 4.374 1.00 63.15 H new ATOM 0 HA GLN A 15 -6.138 10.066 4.914 1.00 72.41 H new ATOM 0 HB2 GLN A 15 -3.789 10.435 6.808 1.00 0.42 H new ATOM 0 HB3 GLN A 15 -5.435 10.998 7.023 1.00 0.42 H new ATOM 0 HG2 GLN A 15 -6.230 8.734 7.412 1.00 64.11 H new ATOM 0 HG3 GLN A 15 -4.667 8.061 6.997 1.00 64.11 H new ATOM 0 HE21 GLN A 15 -5.921 7.452 9.450 1.00 44.34 H new ATOM 0 HE22 GLN A 15 -4.964 8.158 10.756 1.00 44.34 H new ATOM 213 N GLN A 16 -5.026 12.417 4.563 1.00 11.21 N ATOM 214 CA GLN A 16 -4.413 13.687 4.209 1.00 1.33 C ATOM 215 C GLN A 16 -5.025 14.865 4.963 1.00 2.54 C ATOM 216 O GLN A 16 -6.181 14.823 5.413 1.00 62.34 O ATOM 217 CB GLN A 16 -4.491 13.898 2.696 1.00 25.00 C ATOM 218 CG GLN A 16 -5.933 13.969 2.177 1.00 4.51 C ATOM 219 CD GLN A 16 -6.036 13.540 0.710 1.00 65.03 C ATOM 220 OE1 GLN A 16 -5.339 12.656 0.225 1.00 50.53 O ATOM 221 NE2 GLN A 16 -6.904 14.190 -0.040 1.00 45.52 N ATOM 0 H GLN A 16 -5.989 12.500 4.887 1.00 11.21 H new ATOM 0 HA GLN A 16 -3.366 13.644 4.511 1.00 1.33 H new ATOM 0 HB2 GLN A 16 -3.971 14.820 2.435 1.00 25.00 H new ATOM 0 HB3 GLN A 16 -3.969 13.084 2.193 1.00 25.00 H new ATOM 0 HG2 GLN A 16 -6.570 13.329 2.788 1.00 4.51 H new ATOM 0 HG3 GLN A 16 -6.307 14.987 2.284 1.00 4.51 H new ATOM 0 HE21 GLN A 16 -7.482 14.925 0.369 1.00 45.52 H new ATOM 0 HE22 GLN A 16 -6.998 13.958 -1.029 1.00 45.52 H new ATOM 228 N SER A 17 -4.261 15.952 5.009 1.00 12.52 N ATOM 229 CA SER A 17 -4.691 17.269 5.435 1.00 33.42 C ATOM 230 C SER A 17 -3.948 18.328 4.604 1.00 44.12 C ATOM 231 O SER A 17 -3.051 17.972 3.835 1.00 52.15 O ATOM 232 CB SER A 17 -4.374 17.478 6.927 1.00 32.33 C ATOM 233 OG SER A 17 -4.731 16.371 7.735 1.00 1.11 O ATOM 0 H SER A 17 -3.278 15.932 4.736 1.00 12.52 H new ATOM 0 HA SER A 17 -5.767 17.361 5.288 1.00 33.42 H new ATOM 0 HB2 SER A 17 -3.308 17.674 7.041 1.00 32.33 H new ATOM 0 HB3 SER A 17 -4.900 18.364 7.283 1.00 32.33 H new ATOM 0 HG SER A 17 -4.505 16.562 8.669 1.00 1.11 H new ATOM 238 N GLY A 18 -4.283 19.610 4.760 1.00 35.43 N ATOM 239 CA GLY A 18 -3.633 20.730 4.088 1.00 71.43 C ATOM 240 C GLY A 18 -4.461 21.191 2.895 1.00 75.03 C ATOM 241 O GLY A 18 -5.677 21.002 2.886 1.00 63.41 O ATOM 0 H GLY A 18 -5.039 19.904 5.378 1.00 35.43 H new ATOM 0 HA2 GLY A 18 -3.502 21.555 4.788 1.00 71.43 H new ATOM 0 HA3 GLY A 18 -2.638 20.434 3.755 1.00 71.43 H new ATOM 245 N ASP A 19 -3.819 21.816 1.900 1.00 41.23 N ATOM 246 CA ASP A 19 -4.397 22.285 0.620 1.00 42.35 C ATOM 247 C ASP A 19 -4.744 21.102 -0.300 1.00 65.12 C ATOM 248 O ASP A 19 -4.402 21.028 -1.479 1.00 61.32 O ATOM 249 CB ASP A 19 -3.476 23.285 -0.097 1.00 63.24 C ATOM 250 CG ASP A 19 -3.368 24.596 0.652 1.00 42.52 C ATOM 251 OD1 ASP A 19 -4.247 25.469 0.459 1.00 33.30 O ATOM 252 OD2 ASP A 19 -2.430 24.760 1.462 1.00 53.55 O ATOM 0 H ASP A 19 -2.822 22.023 1.964 1.00 41.23 H new ATOM 0 HA ASP A 19 -5.321 22.811 0.862 1.00 42.35 H new ATOM 0 HB2 ASP A 19 -2.483 22.848 -0.208 1.00 63.24 H new ATOM 0 HB3 ASP A 19 -3.856 23.472 -1.101 1.00 63.24 H new ATOM 256 N THR A 20 -5.465 20.156 0.266 1.00 63.32 N ATOM 257 CA THR A 20 -6.006 18.942 -0.310 1.00 74.23 C ATOM 258 C THR A 20 -6.853 19.234 -1.550 1.00 43.34 C ATOM 259 O THR A 20 -6.781 18.499 -2.536 1.00 13.33 O ATOM 260 CB THR A 20 -6.815 18.263 0.809 1.00 15.11 C ATOM 261 OG1 THR A 20 -7.539 19.213 1.583 1.00 22.42 O ATOM 262 CG2 THR A 20 -5.885 17.556 1.790 1.00 12.41 C ATOM 0 H THR A 20 -5.714 20.228 1.253 1.00 63.32 H new ATOM 0 HA THR A 20 -5.213 18.282 -0.663 1.00 74.23 H new ATOM 0 HB THR A 20 -7.491 17.567 0.313 1.00 15.11 H new ATOM 0 HG1 THR A 20 -8.043 18.748 2.283 1.00 22.42 H new ATOM 0 HG21 THR A 20 -6.476 17.082 2.574 1.00 12.41 H new ATOM 0 HG22 THR A 20 -5.308 16.797 1.262 1.00 12.41 H new ATOM 0 HG23 THR A 20 -5.206 18.283 2.236 1.00 12.41 H new ATOM 270 N ASP A 21 -7.586 20.350 -1.537 1.00 63.43 N ATOM 271 CA ASP A 21 -8.419 20.809 -2.645 1.00 44.33 C ATOM 272 C ASP A 21 -7.592 20.997 -3.919 1.00 52.21 C ATOM 273 O ASP A 21 -8.121 20.851 -5.022 1.00 3.43 O ATOM 274 CB ASP A 21 -9.105 22.135 -2.276 1.00 4.12 C ATOM 275 CG ASP A 21 -10.423 21.936 -1.535 1.00 1.22 C ATOM 276 OD1 ASP A 21 -10.396 21.601 -0.327 1.00 43.12 O ATOM 277 OD2 ASP A 21 -11.495 22.121 -2.161 1.00 13.51 O ATOM 0 H ASP A 21 -7.615 20.975 -0.731 1.00 63.43 H new ATOM 0 HA ASP A 21 -9.175 20.047 -2.834 1.00 44.33 H new ATOM 0 HB2 ASP A 21 -8.431 22.726 -1.656 1.00 4.12 H new ATOM 0 HB3 ASP A 21 -9.288 22.709 -3.185 1.00 4.12 H new ATOM 281 N SER A 22 -6.304 21.311 -3.777 1.00 63.35 N ATOM 282 CA SER A 22 -5.378 21.606 -4.855 1.00 25.43 C ATOM 283 C SER A 22 -4.584 20.374 -5.336 1.00 53.23 C ATOM 284 O SER A 22 -3.767 20.510 -6.256 1.00 32.34 O ATOM 285 CB SER A 22 -4.431 22.690 -4.332 1.00 4.11 C ATOM 286 OG SER A 22 -5.106 23.917 -4.091 1.00 13.44 O ATOM 0 H SER A 22 -5.863 21.368 -2.859 1.00 63.35 H new ATOM 0 HA SER A 22 -5.938 21.939 -5.729 1.00 25.43 H new ATOM 0 HB2 SER A 22 -3.962 22.347 -3.410 1.00 4.11 H new ATOM 0 HB3 SER A 22 -3.631 22.852 -5.055 1.00 4.11 H new ATOM 0 HG SER A 22 -4.712 24.622 -4.647 1.00 13.44 H new ATOM 291 N PHE A 23 -4.774 19.180 -4.762 1.00 10.31 N ATOM 292 CA PHE A 23 -3.901 18.029 -5.004 1.00 73.42 C ATOM 293 C PHE A 23 -4.687 16.863 -5.607 1.00 10.30 C ATOM 294 O PHE A 23 -5.690 16.375 -5.083 1.00 42.25 O ATOM 295 CB PHE A 23 -3.111 17.702 -3.731 1.00 42.15 C ATOM 296 CG PHE A 23 -2.382 16.378 -3.625 1.00 41.31 C ATOM 297 CD1 PHE A 23 -1.962 15.656 -4.744 1.00 45.22 C ATOM 298 CD2 PHE A 23 -2.129 15.829 -2.362 1.00 43.22 C ATOM 299 CE1 PHE A 23 -1.409 14.386 -4.619 1.00 61.05 C ATOM 300 CE2 PHE A 23 -1.462 14.595 -2.230 1.00 11.11 C ATOM 301 CZ PHE A 23 -1.125 13.854 -3.362 1.00 4.53 C ATOM 0 H PHE A 23 -5.539 18.986 -4.116 1.00 10.31 H new ATOM 0 HA PHE A 23 -3.153 18.267 -5.760 1.00 73.42 H new ATOM 0 HB2 PHE A 23 -2.374 18.493 -3.592 1.00 42.15 H new ATOM 0 HB3 PHE A 23 -3.804 17.761 -2.892 1.00 42.15 H new ATOM 0 HD1 PHE A 23 -2.069 16.092 -5.726 1.00 45.22 H new ATOM 0 HD2 PHE A 23 -2.449 16.359 -1.477 1.00 43.22 H new ATOM 0 HE1 PHE A 23 -1.197 13.806 -5.505 1.00 61.05 H new ATOM 0 HE2 PHE A 23 -1.211 14.222 -1.248 1.00 11.11 H new ATOM 0 HZ PHE A 23 -0.653 12.887 -3.267 1.00 4.53 H new ATOM 310 N GLU A 24 -4.200 16.449 -6.768 1.00 72.14 N ATOM 311 CA GLU A 24 -4.518 15.241 -7.517 1.00 33.23 C ATOM 312 C GLU A 24 -3.736 14.040 -6.967 1.00 31.14 C ATOM 313 O GLU A 24 -2.677 13.665 -7.477 1.00 33.32 O ATOM 314 CB GLU A 24 -4.171 15.501 -8.986 1.00 62.13 C ATOM 315 CG GLU A 24 -5.381 16.017 -9.767 1.00 13.51 C ATOM 316 CD GLU A 24 -6.436 14.934 -10.009 1.00 13.12 C ATOM 317 OE1 GLU A 24 -6.318 13.826 -9.434 1.00 11.52 O ATOM 318 OE2 GLU A 24 -7.416 15.195 -10.736 1.00 42.34 O ATOM 0 H GLU A 24 -3.502 17.008 -7.258 1.00 72.14 H new ATOM 0 HA GLU A 24 -5.577 15.001 -7.421 1.00 33.23 H new ATOM 0 HB2 GLU A 24 -3.361 16.228 -9.046 1.00 62.13 H new ATOM 0 HB3 GLU A 24 -3.808 14.581 -9.443 1.00 62.13 H new ATOM 0 HG2 GLU A 24 -5.835 16.844 -9.221 1.00 13.51 H new ATOM 0 HG3 GLU A 24 -5.047 16.413 -10.726 1.00 13.51 H new ATOM 323 N VAL A 25 -4.226 13.482 -5.862 1.00 54.12 N ATOM 324 CA VAL A 25 -3.695 12.290 -5.213 1.00 1.40 C ATOM 325 C VAL A 25 -4.122 11.086 -6.034 1.00 21.44 C ATOM 326 O VAL A 25 -5.197 10.528 -5.801 1.00 4.10 O ATOM 327 CB VAL A 25 -4.169 12.143 -3.742 1.00 61.03 C ATOM 328 CG1 VAL A 25 -3.278 11.115 -3.019 1.00 30.14 C ATOM 329 CG2 VAL A 25 -4.296 13.444 -2.938 1.00 3.41 C ATOM 0 H VAL A 25 -5.037 13.865 -5.376 1.00 54.12 H new ATOM 0 HA VAL A 25 -2.609 12.370 -5.169 1.00 1.40 H new ATOM 0 HB VAL A 25 -5.198 11.789 -3.801 1.00 61.03 H new ATOM 0 HG11 VAL A 25 -3.609 11.010 -1.986 1.00 30.14 H new ATOM 0 HG12 VAL A 25 -3.351 10.151 -3.523 1.00 30.14 H new ATOM 0 HG13 VAL A 25 -2.243 11.455 -3.036 1.00 30.14 H new ATOM 0 HG21 VAL A 25 -4.634 13.216 -1.927 1.00 3.41 H new ATOM 0 HG22 VAL A 25 -3.326 13.940 -2.893 1.00 3.41 H new ATOM 0 HG23 VAL A 25 -5.018 14.102 -3.422 1.00 3.41 H new ATOM 339 N SER A 26 -3.287 10.677 -6.977 1.00 32.11 N ATOM 340 CA SER A 26 -3.506 9.447 -7.702 1.00 34.23 C ATOM 341 C SER A 26 -2.704 8.368 -7.003 1.00 73.23 C ATOM 342 O SER A 26 -1.509 8.540 -6.757 1.00 1.10 O ATOM 343 CB SER A 26 -3.064 9.611 -9.158 1.00 3.11 C ATOM 344 OG SER A 26 -1.894 10.422 -9.258 1.00 14.52 O ATOM 0 H SER A 26 -2.448 11.186 -7.255 1.00 32.11 H new ATOM 0 HA SER A 26 -4.562 9.178 -7.715 1.00 34.23 H new ATOM 0 HB2 SER A 26 -2.868 8.631 -9.593 1.00 3.11 H new ATOM 0 HB3 SER A 26 -3.871 10.061 -9.737 1.00 3.11 H new ATOM 0 HG SER A 26 -1.289 10.217 -8.515 1.00 14.52 H new ATOM 349 N VAL A 27 -3.348 7.249 -6.706 1.00 70.05 N ATOM 350 CA VAL A 27 -2.658 6.089 -6.149 1.00 30.12 C ATOM 351 C VAL A 27 -3.181 4.876 -6.890 1.00 65.31 C ATOM 352 O VAL A 27 -4.331 4.880 -7.338 1.00 33.14 O ATOM 353 CB VAL A 27 -2.897 5.956 -4.629 1.00 31.43 C ATOM 354 CG1 VAL A 27 -1.776 5.205 -3.910 1.00 43.41 C ATOM 355 CG2 VAL A 27 -3.199 7.279 -3.913 1.00 24.00 C ATOM 0 H VAL A 27 -4.350 7.117 -6.841 1.00 70.05 H new ATOM 0 HA VAL A 27 -1.580 6.192 -6.275 1.00 30.12 H new ATOM 0 HB VAL A 27 -3.805 5.356 -4.567 1.00 31.43 H new ATOM 0 HG11 VAL A 27 -2.003 5.145 -2.846 1.00 43.41 H new ATOM 0 HG12 VAL A 27 -1.691 4.199 -4.320 1.00 43.41 H new ATOM 0 HG13 VAL A 27 -0.834 5.735 -4.051 1.00 43.41 H new ATOM 0 HG21 VAL A 27 -3.353 7.091 -2.850 1.00 24.00 H new ATOM 0 HG22 VAL A 27 -2.360 7.963 -4.042 1.00 24.00 H new ATOM 0 HG23 VAL A 27 -4.099 7.725 -4.337 1.00 24.00 H new ATOM 365 N SER A 28 -2.396 3.814 -6.952 1.00 41.32 N ATOM 366 CA SER A 28 -2.779 2.547 -7.542 1.00 5.21 C ATOM 367 C SER A 28 -2.887 1.493 -6.441 1.00 51.53 C ATOM 368 O SER A 28 -2.194 1.608 -5.426 1.00 65.41 O ATOM 369 CB SER A 28 -1.696 2.203 -8.544 1.00 1.53 C ATOM 370 OG SER A 28 -1.584 3.205 -9.543 1.00 13.24 O ATOM 0 H SER A 28 -1.446 3.812 -6.581 1.00 41.32 H new ATOM 0 HA SER A 28 -3.748 2.592 -8.039 1.00 5.21 H new ATOM 0 HB2 SER A 28 -0.742 2.092 -8.028 1.00 1.53 H new ATOM 0 HB3 SER A 28 -1.920 1.244 -9.011 1.00 1.53 H new ATOM 0 HG SER A 28 -0.877 2.959 -10.175 1.00 13.24 H new ATOM 375 N ILE A 29 -3.727 0.468 -6.617 1.00 30.40 N ATOM 376 CA ILE A 29 -3.877 -0.624 -5.654 1.00 34.44 C ATOM 377 C ILE A 29 -3.566 -1.941 -6.377 1.00 25.13 C ATOM 378 O ILE A 29 -3.647 -2.020 -7.606 1.00 53.30 O ATOM 379 CB ILE A 29 -5.285 -0.527 -4.999 1.00 14.13 C ATOM 380 CG1 ILE A 29 -5.343 0.714 -4.075 1.00 13.23 C ATOM 381 CG2 ILE A 29 -5.672 -1.744 -4.138 1.00 13.21 C ATOM 382 CD1 ILE A 29 -6.753 1.207 -3.747 1.00 41.52 C ATOM 0 H ILE A 29 -4.325 0.374 -7.438 1.00 30.40 H new ATOM 0 HA ILE A 29 -3.174 -0.565 -4.823 1.00 34.44 H new ATOM 0 HB ILE A 29 -5.984 -0.469 -5.833 1.00 14.13 H new ATOM 0 HG12 ILE A 29 -4.830 0.479 -3.142 1.00 13.23 H new ATOM 0 HG13 ILE A 29 -4.790 1.526 -4.547 1.00 13.23 H new ATOM 0 HG21 ILE A 29 -6.667 -1.592 -3.720 1.00 13.21 H new ATOM 0 HG22 ILE A 29 -5.671 -2.642 -4.756 1.00 13.21 H new ATOM 0 HG23 ILE A 29 -4.952 -1.860 -3.328 1.00 13.21 H new ATOM 0 HD11 ILE A 29 -6.691 2.078 -3.095 1.00 41.52 H new ATOM 0 HD12 ILE A 29 -7.267 1.479 -4.669 1.00 41.52 H new ATOM 0 HD13 ILE A 29 -7.307 0.415 -3.243 1.00 41.52 H new ATOM 393 N GLY A 30 -3.193 -2.977 -5.623 1.00 10.14 N ATOM 394 CA GLY A 30 -3.004 -4.334 -6.111 1.00 52.50 C ATOM 395 C GLY A 30 -2.528 -5.247 -4.983 1.00 64.12 C ATOM 396 O GLY A 30 -2.357 -4.792 -3.848 1.00 43.40 O ATOM 0 H GLY A 30 -3.010 -2.886 -4.624 1.00 10.14 H new ATOM 0 HA2 GLY A 30 -3.940 -4.712 -6.523 1.00 52.50 H new ATOM 0 HA3 GLY A 30 -2.275 -4.337 -6.921 1.00 52.50 H new ATOM 400 N GLY A 31 -2.325 -6.525 -5.296 1.00 65.30 N ATOM 401 CA GLY A 31 -1.833 -7.577 -4.416 1.00 31.42 C ATOM 402 C GLY A 31 -1.815 -8.897 -5.200 1.00 41.22 C ATOM 403 O GLY A 31 -2.439 -8.982 -6.264 1.00 3.24 O ATOM 0 H GLY A 31 -2.513 -6.874 -6.236 1.00 65.30 H new ATOM 0 HA2 GLY A 31 -0.832 -7.335 -4.058 1.00 31.42 H new ATOM 0 HA3 GLY A 31 -2.472 -7.666 -3.538 1.00 31.42 H new ATOM 407 N ALA A 32 -1.158 -9.944 -4.690 1.00 13.53 N ATOM 408 CA ALA A 32 -1.122 -11.261 -5.332 1.00 11.14 C ATOM 409 C ALA A 32 -1.125 -12.385 -4.299 1.00 50.22 C ATOM 410 O ALA A 32 -0.848 -12.143 -3.126 1.00 73.03 O ATOM 411 CB ALA A 32 0.121 -11.398 -6.214 1.00 32.15 C ATOM 0 H ALA A 32 -0.634 -9.901 -3.816 1.00 13.53 H new ATOM 0 HA ALA A 32 -2.019 -11.344 -5.946 1.00 11.14 H new ATOM 0 HB1 ALA A 32 0.129 -12.383 -6.681 1.00 32.15 H new ATOM 0 HB2 ALA A 32 0.105 -10.630 -6.987 1.00 32.15 H new ATOM 0 HB3 ALA A 32 1.016 -11.279 -5.603 1.00 32.15 H new ATOM 417 N ASP A 33 -1.394 -13.605 -4.762 1.00 70.12 N ATOM 418 CA ASP A 33 -1.578 -14.844 -3.992 1.00 14.15 C ATOM 419 C ASP A 33 -0.914 -16.034 -4.713 1.00 3.22 C ATOM 420 O ASP A 33 -0.364 -15.885 -5.813 1.00 21.25 O ATOM 421 CB ASP A 33 -3.082 -15.103 -3.895 1.00 32.05 C ATOM 422 CG ASP A 33 -3.484 -16.383 -3.168 1.00 73.24 C ATOM 423 OD1 ASP A 33 -3.179 -16.536 -1.969 1.00 25.11 O ATOM 424 OD2 ASP A 33 -4.014 -17.302 -3.828 1.00 11.21 O ATOM 0 H ASP A 33 -1.498 -13.770 -5.763 1.00 70.12 H new ATOM 0 HA ASP A 33 -1.124 -14.739 -3.007 1.00 14.15 H new ATOM 0 HB2 ASP A 33 -3.546 -14.257 -3.388 1.00 32.05 H new ATOM 0 HB3 ASP A 33 -3.493 -15.135 -4.904 1.00 32.05 H new ATOM 428 N LYS A 34 -0.980 -17.237 -4.129 1.00 3.32 N ATOM 429 CA LYS A 34 -0.580 -18.500 -4.741 1.00 25.01 C ATOM 430 C LYS A 34 -1.634 -18.934 -5.746 1.00 22.33 C ATOM 431 O LYS A 34 -2.372 -19.892 -5.517 1.00 65.34 O ATOM 432 CB LYS A 34 -0.313 -19.587 -3.675 1.00 2.14 C ATOM 433 CG LYS A 34 0.242 -20.897 -4.257 1.00 25.34 C ATOM 434 CD LYS A 34 1.052 -21.714 -3.239 1.00 10.32 C ATOM 435 CE LYS A 34 0.212 -22.509 -2.229 1.00 52.12 C ATOM 436 NZ LYS A 34 -0.200 -23.838 -2.731 1.00 12.24 N ATOM 0 H LYS A 34 -1.329 -17.356 -3.178 1.00 3.32 H new ATOM 0 HA LYS A 34 0.361 -18.354 -5.271 1.00 25.01 H new ATOM 0 HB2 LYS A 34 0.392 -19.198 -2.940 1.00 2.14 H new ATOM 0 HB3 LYS A 34 -1.241 -19.799 -3.144 1.00 2.14 H new ATOM 0 HG2 LYS A 34 -0.586 -21.504 -4.624 1.00 25.34 H new ATOM 0 HG3 LYS A 34 0.874 -20.667 -5.115 1.00 25.34 H new ATOM 0 HD2 LYS A 34 1.694 -22.408 -3.781 1.00 10.32 H new ATOM 0 HD3 LYS A 34 1.707 -21.037 -2.691 1.00 10.32 H new ATOM 0 HE2 LYS A 34 0.785 -22.636 -1.310 1.00 52.12 H new ATOM 0 HE3 LYS A 34 -0.677 -21.933 -1.973 1.00 52.12 H new ATOM 0 HZ1 LYS A 34 -0.763 -24.324 -2.004 1.00 12.24 H new ATOM 0 HZ2 LYS A 34 -0.772 -23.722 -3.592 1.00 12.24 H new ATOM 0 HZ3 LYS A 34 0.645 -24.404 -2.950 1.00 12.24 H new ATOM 446 N GLY A 35 -1.692 -18.234 -6.868 1.00 33.25 N ATOM 447 CA GLY A 35 -2.605 -18.580 -7.934 1.00 63.12 C ATOM 448 C GLY A 35 -2.917 -17.441 -8.883 1.00 54.34 C ATOM 449 O GLY A 35 -3.648 -17.664 -9.845 1.00 51.10 O ATOM 0 H GLY A 35 -1.111 -17.418 -7.060 1.00 33.25 H new ATOM 0 HA2 GLY A 35 -2.182 -19.407 -8.504 1.00 63.12 H new ATOM 0 HA3 GLY A 35 -3.537 -18.938 -7.496 1.00 63.12 H new ATOM 453 N GLY A 36 -2.442 -16.222 -8.618 1.00 41.22 N ATOM 454 CA GLY A 36 -2.833 -15.073 -9.414 1.00 12.21 C ATOM 455 C GLY A 36 -2.946 -13.825 -8.547 1.00 54.52 C ATOM 456 O GLY A 36 -2.330 -13.766 -7.477 1.00 51.43 O ATOM 0 H GLY A 36 -1.790 -16.013 -7.862 1.00 41.22 H new ATOM 0 HA2 GLY A 36 -2.101 -14.907 -10.204 1.00 12.21 H new ATOM 0 HA3 GLY A 36 -3.788 -15.271 -9.901 1.00 12.21 H new ATOM 460 N PRO A 37 -3.687 -12.805 -9.000 1.00 30.23 N ATOM 461 CA PRO A 37 -3.917 -11.582 -8.249 1.00 4.23 C ATOM 462 C PRO A 37 -4.769 -11.831 -7.001 1.00 41.52 C ATOM 463 O PRO A 37 -5.486 -12.831 -6.882 1.00 62.13 O ATOM 464 CB PRO A 37 -4.603 -10.648 -9.231 1.00 65.01 C ATOM 465 CG PRO A 37 -5.388 -11.590 -10.135 1.00 30.01 C ATOM 466 CD PRO A 37 -4.424 -12.763 -10.256 1.00 11.24 C ATOM 0 HA PRO A 37 -2.988 -11.157 -7.868 1.00 4.23 H new ATOM 0 HB2 PRO A 37 -5.259 -9.942 -8.721 1.00 65.01 H new ATOM 0 HB3 PRO A 37 -3.880 -10.060 -9.796 1.00 65.01 H new ATOM 0 HG2 PRO A 37 -6.340 -11.885 -9.693 1.00 30.01 H new ATOM 0 HG3 PRO A 37 -5.611 -11.140 -11.102 1.00 30.01 H new ATOM 0 HD2 PRO A 37 -4.963 -13.696 -10.424 1.00 11.24 H new ATOM 0 HD3 PRO A 37 -3.749 -12.628 -11.101 1.00 11.24 H new ATOM 471 N ALA A 38 -4.705 -10.874 -6.083 1.00 23.42 N ATOM 472 CA ALA A 38 -5.608 -10.733 -4.959 1.00 65.00 C ATOM 473 C ALA A 38 -6.796 -9.868 -5.372 1.00 70.44 C ATOM 474 O ALA A 38 -6.583 -8.717 -5.744 1.00 30.33 O ATOM 475 CB ALA A 38 -4.837 -10.079 -3.819 1.00 53.32 C ATOM 0 H ALA A 38 -3.990 -10.147 -6.107 1.00 23.42 H new ATOM 0 HA ALA A 38 -5.987 -11.703 -4.637 1.00 65.00 H new ATOM 0 HB1 ALA A 38 -5.493 -9.960 -2.957 1.00 53.32 H new ATOM 0 HB2 ALA A 38 -3.989 -10.707 -3.546 1.00 53.32 H new ATOM 0 HB3 ALA A 38 -4.476 -9.101 -4.138 1.00 53.32 H new ATOM 481 N LYS A 39 -8.035 -10.373 -5.281 1.00 3.33 N ATOM 482 CA LYS A 39 -9.202 -9.494 -5.419 1.00 13.25 C ATOM 483 C LYS A 39 -9.205 -8.457 -4.305 1.00 3.11 C ATOM 484 O LYS A 39 -8.698 -8.734 -3.209 1.00 50.24 O ATOM 485 CB LYS A 39 -10.536 -10.251 -5.409 1.00 33.23 C ATOM 486 CG LYS A 39 -10.607 -11.280 -6.544 1.00 12.44 C ATOM 487 CD LYS A 39 -12.003 -11.904 -6.692 1.00 43.34 C ATOM 488 CE LYS A 39 -12.067 -12.623 -8.038 1.00 64.13 C ATOM 489 NZ LYS A 39 -13.163 -13.602 -8.157 1.00 72.12 N ATOM 0 H LYS A 39 -8.251 -11.356 -5.117 1.00 3.33 H new ATOM 0 HA LYS A 39 -9.113 -9.013 -6.393 1.00 13.25 H new ATOM 0 HB2 LYS A 39 -10.662 -10.755 -4.451 1.00 33.23 H new ATOM 0 HB3 LYS A 39 -11.358 -9.542 -5.507 1.00 33.23 H new ATOM 0 HG2 LYS A 39 -10.327 -10.800 -7.482 1.00 12.44 H new ATOM 0 HG3 LYS A 39 -9.878 -12.069 -6.359 1.00 12.44 H new ATOM 0 HD2 LYS A 39 -12.194 -12.604 -5.878 1.00 43.34 H new ATOM 0 HD3 LYS A 39 -12.771 -11.133 -6.637 1.00 43.34 H new ATOM 0 HE2 LYS A 39 -12.174 -11.880 -8.828 1.00 64.13 H new ATOM 0 HE3 LYS A 39 -11.120 -13.135 -8.208 1.00 64.13 H new ATOM 0 HZ1 LYS A 39 -13.134 -14.043 -9.098 1.00 72.12 H new ATOM 0 HZ2 LYS A 39 -13.054 -14.335 -7.428 1.00 72.12 H new ATOM 0 HZ3 LYS A 39 -14.075 -13.119 -8.029 1.00 72.12 H new ATOM 499 N LEU A 40 -9.825 -7.309 -4.556 1.00 71.20 N ATOM 500 CA LEU A 40 -9.759 -6.134 -3.711 1.00 5.32 C ATOM 501 C LEU A 40 -11.162 -5.570 -3.503 1.00 5.14 C ATOM 502 O LEU A 40 -12.081 -5.828 -4.295 1.00 70.23 O ATOM 503 CB LEU A 40 -8.919 -5.072 -4.414 1.00 72.10 C ATOM 504 CG LEU A 40 -7.520 -5.453 -4.920 1.00 21.41 C ATOM 505 CD1 LEU A 40 -7.129 -4.517 -6.062 1.00 1.35 C ATOM 506 CD2 LEU A 40 -6.520 -5.423 -3.767 1.00 71.11 C ATOM 0 H LEU A 40 -10.406 -7.172 -5.383 1.00 71.20 H new ATOM 0 HA LEU A 40 -9.321 -6.403 -2.750 1.00 5.32 H new ATOM 0 HB2 LEU A 40 -9.492 -4.710 -5.268 1.00 72.10 H new ATOM 0 HB3 LEU A 40 -8.805 -4.233 -3.727 1.00 72.10 H new ATOM 0 HG LEU A 40 -7.520 -6.471 -5.310 1.00 21.41 H new ATOM 0 HD11 LEU A 40 -6.136 -4.782 -6.426 1.00 1.35 H new ATOM 0 HD12 LEU A 40 -7.850 -4.612 -6.874 1.00 1.35 H new ATOM 0 HD13 LEU A 40 -7.121 -3.488 -5.702 1.00 1.35 H new ATOM 0 HD21 LEU A 40 -5.531 -5.695 -4.136 1.00 71.11 H new ATOM 0 HD22 LEU A 40 -6.486 -4.420 -3.341 1.00 71.11 H new ATOM 0 HD23 LEU A 40 -6.828 -6.133 -2.999 1.00 71.11 H new ATOM 517 N TYR A 41 -11.308 -4.761 -2.453 1.00 32.45 N ATOM 518 CA TYR A 41 -12.580 -4.196 -2.039 1.00 23.34 C ATOM 519 C TYR A 41 -12.401 -2.737 -1.649 1.00 71.30 C ATOM 520 O TYR A 41 -11.294 -2.277 -1.341 1.00 4.21 O ATOM 521 CB TYR A 41 -13.155 -4.988 -0.859 1.00 20.42 C ATOM 522 CG TYR A 41 -13.350 -6.461 -1.151 1.00 33.54 C ATOM 523 CD1 TYR A 41 -12.261 -7.344 -1.065 1.00 1.33 C ATOM 524 CD2 TYR A 41 -14.611 -6.942 -1.546 1.00 75.53 C ATOM 525 CE1 TYR A 41 -12.447 -8.704 -1.344 1.00 54.41 C ATOM 526 CE2 TYR A 41 -14.819 -8.318 -1.732 1.00 41.10 C ATOM 527 CZ TYR A 41 -13.734 -9.213 -1.585 1.00 1.35 C ATOM 528 OH TYR A 41 -13.918 -10.559 -1.587 1.00 60.14 O ATOM 0 H TYR A 41 -10.528 -4.479 -1.860 1.00 32.45 H new ATOM 0 HA TYR A 41 -13.277 -4.257 -2.874 1.00 23.34 H new ATOM 0 HB2 TYR A 41 -12.489 -4.882 -0.003 1.00 20.42 H new ATOM 0 HB3 TYR A 41 -14.113 -4.553 -0.574 1.00 20.42 H new ATOM 0 HD1 TYR A 41 -11.285 -6.976 -0.785 1.00 1.33 H new ATOM 0 HD2 TYR A 41 -15.424 -6.249 -1.707 1.00 75.53 H new ATOM 0 HE1 TYR A 41 -11.594 -9.366 -1.374 1.00 54.41 H new ATOM 0 HE2 TYR A 41 -15.801 -8.690 -1.986 1.00 41.10 H new ATOM 0 HH TYR A 41 -14.034 -10.872 -2.508 1.00 60.14 H new ATOM 537 N ASN A 42 -13.518 -2.011 -1.644 1.00 31.31 N ATOM 538 CA ASN A 42 -13.558 -0.601 -1.264 1.00 42.25 C ATOM 539 C ASN A 42 -13.926 -0.431 0.208 1.00 2.42 C ATOM 540 O ASN A 42 -14.163 -1.401 0.926 1.00 53.23 O ATOM 541 CB ASN A 42 -14.532 0.183 -2.169 1.00 22.13 C ATOM 542 CG ASN A 42 -15.960 0.198 -1.641 1.00 51.15 C ATOM 543 OD1 ASN A 42 -16.635 -0.936 -1.657 1.00 24.23 O flip ATOM 544 ND2 ASN A 42 -16.426 1.209 -1.139 1.00 22.10 N flip ATOM 0 H ASN A 42 -14.428 -2.389 -1.906 1.00 31.31 H new ATOM 0 HA ASN A 42 -12.558 -0.191 -1.403 1.00 42.25 H new ATOM 0 HB2 ASN A 42 -14.178 1.209 -2.270 1.00 22.13 H new ATOM 0 HB3 ASN A 42 -14.525 -0.256 -3.166 1.00 22.13 H new ATOM 0 HD21 ASN A 42 -15.885 2.074 -1.139 1.00 22.10 H new ATOM 0 HD22 ASN A 42 -17.356 1.188 -0.720 1.00 22.10 H new ATOM 550 N ASP A 43 -14.000 0.820 0.646 1.00 24.20 N ATOM 551 CA ASP A 43 -14.281 1.281 2.012 1.00 20.52 C ATOM 552 C ASP A 43 -15.741 1.020 2.471 1.00 15.40 C ATOM 553 O ASP A 43 -16.119 1.351 3.596 1.00 53.13 O ATOM 554 CB ASP A 43 -13.862 2.750 2.066 1.00 51.54 C ATOM 555 CG ASP A 43 -13.879 3.409 3.447 1.00 61.43 C ATOM 556 OD1 ASP A 43 -12.997 3.112 4.288 1.00 22.51 O ATOM 557 OD2 ASP A 43 -14.682 4.354 3.626 1.00 23.24 O ATOM 0 H ASP A 43 -13.855 1.604 0.010 1.00 24.20 H new ATOM 0 HA ASP A 43 -13.707 0.702 2.736 1.00 20.52 H new ATOM 0 HB2 ASP A 43 -12.854 2.834 1.659 1.00 51.54 H new ATOM 0 HB3 ASP A 43 -14.519 3.318 1.408 1.00 51.54 H new ATOM 561 N LYS A 44 -16.573 0.386 1.632 1.00 72.23 N ATOM 562 CA LYS A 44 -17.882 -0.193 1.972 1.00 71.12 C ATOM 563 C LYS A 44 -17.896 -1.725 1.893 1.00 20.52 C ATOM 564 O LYS A 44 -18.924 -2.331 2.195 1.00 0.02 O ATOM 565 CB LYS A 44 -18.981 0.361 1.056 1.00 34.31 C ATOM 566 CG LYS A 44 -19.157 1.883 1.125 1.00 1.31 C ATOM 567 CD LYS A 44 -20.649 2.247 1.076 1.00 41.15 C ATOM 568 CE LYS A 44 -20.830 3.766 1.090 1.00 60.25 C ATOM 569 NZ LYS A 44 -22.207 4.187 1.428 1.00 34.13 N ATOM 0 H LYS A 44 -16.340 0.256 0.648 1.00 72.23 H new ATOM 0 HA LYS A 44 -18.075 0.094 3.006 1.00 71.12 H new ATOM 0 HB2 LYS A 44 -18.755 0.080 0.027 1.00 34.31 H new ATOM 0 HB3 LYS A 44 -19.927 -0.114 1.316 1.00 34.31 H new ATOM 0 HG2 LYS A 44 -18.711 2.267 2.043 1.00 1.31 H new ATOM 0 HG3 LYS A 44 -18.632 2.355 0.294 1.00 1.31 H new ATOM 0 HD2 LYS A 44 -21.102 1.829 0.177 1.00 41.15 H new ATOM 0 HD3 LYS A 44 -21.165 1.805 1.928 1.00 41.15 H new ATOM 0 HE2 LYS A 44 -20.137 4.201 1.810 1.00 60.25 H new ATOM 0 HE3 LYS A 44 -20.565 4.166 0.111 1.00 60.25 H new ATOM 0 HZ1 LYS A 44 -22.264 5.225 1.421 1.00 34.13 H new ATOM 0 HZ2 LYS A 44 -22.871 3.799 0.727 1.00 34.13 H new ATOM 0 HZ3 LYS A 44 -22.456 3.833 2.374 1.00 34.13 H new ATOM 579 N GLY A 45 -16.797 -2.359 1.476 1.00 13.32 N ATOM 580 CA GLY A 45 -16.669 -3.810 1.387 1.00 54.12 C ATOM 581 C GLY A 45 -17.205 -4.395 0.080 1.00 73.14 C ATOM 582 O GLY A 45 -17.235 -5.623 -0.060 1.00 74.31 O ATOM 0 H GLY A 45 -15.954 -1.864 1.185 1.00 13.32 H new ATOM 0 HA2 GLY A 45 -15.618 -4.080 1.492 1.00 54.12 H new ATOM 0 HA3 GLY A 45 -17.200 -4.265 2.223 1.00 54.12 H new ATOM 586 N GLU A 46 -17.606 -3.557 -0.879 1.00 1.45 N ATOM 587 CA GLU A 46 -18.108 -3.994 -2.179 1.00 51.40 C ATOM 588 C GLU A 46 -16.899 -4.438 -3.028 1.00 12.01 C ATOM 589 O GLU A 46 -15.803 -3.873 -2.890 1.00 72.30 O ATOM 590 CB GLU A 46 -19.063 -2.948 -2.796 1.00 24.40 C ATOM 591 CG GLU A 46 -18.453 -1.994 -3.811 1.00 73.24 C ATOM 592 CD GLU A 46 -18.881 -0.525 -3.669 1.00 21.03 C ATOM 593 OE1 GLU A 46 -19.126 -0.077 -2.531 1.00 32.22 O ATOM 594 OE2 GLU A 46 -18.983 0.194 -4.694 1.00 21.40 O ATOM 0 H GLU A 46 -17.590 -2.543 -0.771 1.00 1.45 H new ATOM 0 HA GLU A 46 -18.755 -4.868 -2.103 1.00 51.40 H new ATOM 0 HB2 GLU A 46 -19.886 -3.477 -3.276 1.00 24.40 H new ATOM 0 HB3 GLU A 46 -19.492 -2.358 -1.987 1.00 24.40 H new ATOM 0 HG2 GLU A 46 -17.367 -2.049 -3.730 1.00 73.24 H new ATOM 0 HG3 GLU A 46 -18.716 -2.337 -4.812 1.00 73.24 H new ATOM 599 N TYR A 47 -17.091 -5.467 -3.858 1.00 44.40 N ATOM 600 CA TYR A 47 -16.116 -6.069 -4.764 1.00 3.35 C ATOM 601 C TYR A 47 -15.815 -5.105 -5.909 1.00 44.34 C ATOM 602 O TYR A 47 -16.733 -4.763 -6.662 1.00 51.32 O ATOM 603 CB TYR A 47 -16.722 -7.360 -5.356 1.00 62.30 C ATOM 604 CG TYR A 47 -16.129 -8.674 -4.912 1.00 15.11 C ATOM 605 CD1 TYR A 47 -14.738 -8.879 -4.966 1.00 2.21 C ATOM 606 CD2 TYR A 47 -16.982 -9.722 -4.514 1.00 51.12 C ATOM 607 CE1 TYR A 47 -14.211 -10.127 -4.614 1.00 51.30 C ATOM 608 CE2 TYR A 47 -16.455 -10.985 -4.204 1.00 60.42 C ATOM 609 CZ TYR A 47 -15.063 -11.194 -4.253 1.00 63.24 C ATOM 610 OH TYR A 47 -14.558 -12.413 -3.927 1.00 32.31 O ATOM 0 H TYR A 47 -17.997 -5.932 -3.917 1.00 44.40 H new ATOM 0 HA TYR A 47 -15.199 -6.290 -4.218 1.00 3.35 H new ATOM 0 HB2 TYR A 47 -17.785 -7.373 -5.117 1.00 62.30 H new ATOM 0 HB3 TYR A 47 -16.640 -7.303 -6.441 1.00 62.30 H new ATOM 0 HD1 TYR A 47 -14.082 -8.079 -5.277 1.00 2.21 H new ATOM 0 HD2 TYR A 47 -18.047 -9.553 -4.447 1.00 51.12 H new ATOM 0 HE1 TYR A 47 -13.141 -10.276 -4.618 1.00 51.30 H new ATOM 0 HE2 TYR A 47 -17.115 -11.794 -3.929 1.00 60.42 H new ATOM 0 HH TYR A 47 -15.292 -13.023 -3.705 1.00 32.31 H new ATOM 619 N ILE A 48 -14.549 -4.727 -6.115 1.00 45.14 N ATOM 620 CA ILE A 48 -14.213 -3.702 -7.121 1.00 14.43 C ATOM 621 C ILE A 48 -13.046 -4.058 -8.055 1.00 41.41 C ATOM 622 O ILE A 48 -12.634 -3.206 -8.843 1.00 13.21 O ATOM 623 CB ILE A 48 -14.074 -2.300 -6.479 1.00 42.41 C ATOM 624 CG1 ILE A 48 -13.062 -2.278 -5.325 1.00 23.10 C ATOM 625 CG2 ILE A 48 -15.438 -1.792 -5.975 1.00 31.00 C ATOM 626 CD1 ILE A 48 -12.555 -0.854 -5.082 1.00 24.42 C ATOM 0 H ILE A 48 -13.748 -5.106 -5.610 1.00 45.14 H new ATOM 0 HA ILE A 48 -15.069 -3.673 -7.795 1.00 14.43 H new ATOM 0 HB ILE A 48 -13.702 -1.639 -7.261 1.00 42.41 H new ATOM 0 HG12 ILE A 48 -13.528 -2.664 -4.418 1.00 23.10 H new ATOM 0 HG13 ILE A 48 -12.223 -2.934 -5.557 1.00 23.10 H new ATOM 0 HG21 ILE A 48 -15.316 -0.805 -5.528 1.00 31.00 H new ATOM 0 HG22 ILE A 48 -16.134 -1.728 -6.811 1.00 31.00 H new ATOM 0 HG23 ILE A 48 -15.830 -2.483 -5.229 1.00 31.00 H new ATOM 0 HD11 ILE A 48 -11.839 -0.858 -4.260 1.00 24.42 H new ATOM 0 HD12 ILE A 48 -12.070 -0.481 -5.984 1.00 24.42 H new ATOM 0 HD13 ILE A 48 -13.395 -0.207 -4.828 1.00 24.42 H new ATOM 637 N GLY A 49 -12.551 -5.298 -8.047 1.00 34.41 N ATOM 638 CA GLY A 49 -11.642 -5.803 -9.072 1.00 71.42 C ATOM 639 C GLY A 49 -10.490 -6.551 -8.431 1.00 63.30 C ATOM 640 O GLY A 49 -10.615 -7.030 -7.301 1.00 2.35 O ATOM 0 H GLY A 49 -12.773 -5.982 -7.324 1.00 34.41 H new ATOM 0 HA2 GLY A 49 -12.180 -6.464 -9.752 1.00 71.42 H new ATOM 0 HA3 GLY A 49 -11.260 -4.975 -9.669 1.00 71.42 H new ATOM 644 N ASP A 50 -9.387 -6.685 -9.163 1.00 33.14 N ATOM 645 CA ASP A 50 -8.071 -7.027 -8.619 1.00 12.54 C ATOM 646 C ASP A 50 -6.989 -6.041 -9.076 1.00 54.20 C ATOM 647 O ASP A 50 -5.849 -6.133 -8.613 1.00 72.44 O ATOM 648 CB ASP A 50 -7.671 -8.484 -8.888 1.00 34.45 C ATOM 649 CG ASP A 50 -7.374 -8.816 -10.352 1.00 74.41 C ATOM 650 OD1 ASP A 50 -6.288 -8.463 -10.848 1.00 62.12 O ATOM 651 OD2 ASP A 50 -8.222 -9.509 -10.977 1.00 3.34 O ATOM 0 H ASP A 50 -9.381 -6.556 -10.175 1.00 33.14 H new ATOM 0 HA ASP A 50 -8.158 -6.934 -7.536 1.00 12.54 H new ATOM 0 HB2 ASP A 50 -6.789 -8.718 -8.292 1.00 34.45 H new ATOM 0 HB3 ASP A 50 -8.473 -9.135 -8.539 1.00 34.45 H new ATOM 655 N SER A 51 -7.329 -5.061 -9.921 1.00 13.23 N ATOM 656 CA SER A 51 -6.385 -4.084 -10.443 1.00 54.42 C ATOM 657 C SER A 51 -7.108 -2.784 -10.761 1.00 41.23 C ATOM 658 O SER A 51 -8.099 -2.792 -11.500 1.00 71.04 O ATOM 659 CB SER A 51 -5.716 -4.674 -11.683 1.00 61.11 C ATOM 660 OG SER A 51 -6.633 -5.062 -12.692 1.00 72.43 O ATOM 0 H SER A 51 -8.281 -4.928 -10.262 1.00 13.23 H new ATOM 0 HA SER A 51 -5.618 -3.857 -9.703 1.00 54.42 H new ATOM 0 HB2 SER A 51 -5.023 -3.940 -12.096 1.00 61.11 H new ATOM 0 HB3 SER A 51 -5.124 -5.541 -11.389 1.00 61.11 H new ATOM 0 HG SER A 51 -7.411 -4.467 -12.673 1.00 72.43 H new ATOM 665 N TYR A 52 -6.667 -1.677 -10.165 1.00 25.00 N ATOM 666 CA TYR A 52 -7.242 -0.358 -10.385 1.00 44.42 C ATOM 667 C TYR A 52 -6.400 0.694 -9.663 1.00 23.00 C ATOM 668 O TYR A 52 -5.428 0.377 -8.971 1.00 33.01 O ATOM 669 CB TYR A 52 -8.694 -0.311 -9.888 1.00 21.40 C ATOM 670 CG TYR A 52 -8.912 -0.869 -8.506 1.00 1.44 C ATOM 671 CD1 TYR A 52 -8.683 -0.039 -7.395 1.00 63.42 C ATOM 672 CD2 TYR A 52 -9.362 -2.195 -8.336 1.00 11.54 C ATOM 673 CE1 TYR A 52 -8.985 -0.501 -6.111 1.00 44.23 C ATOM 674 CE2 TYR A 52 -9.712 -2.647 -7.051 1.00 44.12 C ATOM 675 CZ TYR A 52 -9.514 -1.797 -5.935 1.00 11.20 C ATOM 676 OH TYR A 52 -9.825 -2.215 -4.683 1.00 24.23 O ATOM 0 H TYR A 52 -5.888 -1.675 -9.506 1.00 25.00 H new ATOM 0 HA TYR A 52 -7.242 -0.146 -11.454 1.00 44.42 H new ATOM 0 HB2 TYR A 52 -9.034 0.724 -9.903 1.00 21.40 H new ATOM 0 HB3 TYR A 52 -9.320 -0.863 -10.589 1.00 21.40 H new ATOM 0 HD1 TYR A 52 -8.275 0.952 -7.533 1.00 63.42 H new ATOM 0 HD2 TYR A 52 -9.437 -2.858 -9.186 1.00 11.54 H new ATOM 0 HE1 TYR A 52 -8.814 0.134 -5.254 1.00 44.23 H new ATOM 0 HE2 TYR A 52 -10.128 -3.634 -6.916 1.00 44.12 H new ATOM 0 HH TYR A 52 -9.639 -1.497 -4.043 1.00 24.23 H new ATOM 685 N SER A 53 -6.823 1.949 -9.773 1.00 14.11 N ATOM 686 CA SER A 53 -6.229 3.089 -9.117 1.00 1.22 C ATOM 687 C SER A 53 -7.356 3.964 -8.580 1.00 51.33 C ATOM 688 O SER A 53 -8.253 4.387 -9.313 1.00 45.23 O ATOM 689 CB SER A 53 -5.263 3.771 -10.092 1.00 3.31 C ATOM 690 OG SER A 53 -5.859 4.056 -11.341 1.00 41.45 O ATOM 0 H SER A 53 -7.626 2.201 -10.350 1.00 14.11 H new ATOM 0 HA SER A 53 -5.620 2.821 -8.253 1.00 1.22 H new ATOM 0 HB2 SER A 53 -4.899 4.698 -9.648 1.00 3.31 H new ATOM 0 HB3 SER A 53 -4.396 3.129 -10.246 1.00 3.31 H new ATOM 0 HG SER A 53 -5.203 4.491 -11.925 1.00 41.45 H new ATOM 695 N ALA A 54 -7.358 4.140 -7.262 1.00 65.15 N ATOM 696 CA ALA A 54 -8.303 4.942 -6.518 1.00 74.12 C ATOM 697 C ALA A 54 -7.622 6.259 -6.149 1.00 30.44 C ATOM 698 O ALA A 54 -6.683 6.283 -5.349 1.00 43.21 O ATOM 699 CB ALA A 54 -8.795 4.170 -5.289 1.00 1.14 C ATOM 0 H ALA A 54 -6.661 3.701 -6.660 1.00 65.15 H new ATOM 0 HA ALA A 54 -9.186 5.165 -7.118 1.00 74.12 H new ATOM 0 HB1 ALA A 54 -9.506 4.783 -4.735 1.00 1.14 H new ATOM 0 HB2 ALA A 54 -9.282 3.249 -5.609 1.00 1.14 H new ATOM 0 HB3 ALA A 54 -7.947 3.929 -4.647 1.00 1.14 H new ATOM 705 N GLN A 55 -8.085 7.347 -6.761 1.00 50.52 N ATOM 706 CA GLN A 55 -7.717 8.703 -6.379 1.00 44.42 C ATOM 707 C GLN A 55 -8.212 8.953 -4.949 1.00 61.02 C ATOM 708 O GLN A 55 -9.272 8.431 -4.583 1.00 50.52 O ATOM 709 CB GLN A 55 -8.378 9.663 -7.392 1.00 12.24 C ATOM 710 CG GLN A 55 -8.012 11.149 -7.235 1.00 14.43 C ATOM 711 CD GLN A 55 -9.094 12.097 -7.766 1.00 31.10 C ATOM 712 OE1 GLN A 55 -10.296 11.860 -7.655 1.00 43.31 O ATOM 713 NE2 GLN A 55 -8.700 13.228 -8.311 1.00 42.23 N ATOM 0 H GLN A 55 -8.735 7.308 -7.546 1.00 50.52 H new ATOM 0 HA GLN A 55 -6.639 8.861 -6.394 1.00 44.42 H new ATOM 0 HB2 GLN A 55 -8.106 9.344 -8.398 1.00 12.24 H new ATOM 0 HB3 GLN A 55 -9.460 9.563 -7.308 1.00 12.24 H new ATOM 0 HG2 GLN A 55 -7.835 11.364 -6.181 1.00 14.43 H new ATOM 0 HG3 GLN A 55 -7.077 11.344 -7.761 1.00 14.43 H new ATOM 0 HE21 GLN A 55 -7.704 13.429 -8.405 1.00 42.23 H new ATOM 0 HE22 GLN A 55 -9.390 13.904 -8.639 1.00 42.23 H new ATOM 720 N ILE A 56 -7.500 9.770 -4.165 1.00 11.20 N ATOM 721 CA ILE A 56 -7.940 10.121 -2.797 1.00 41.34 C ATOM 722 C ILE A 56 -8.665 11.468 -2.832 1.00 11.30 C ATOM 723 O ILE A 56 -8.112 12.462 -3.312 1.00 71.02 O ATOM 724 CB ILE A 56 -6.789 10.150 -1.760 1.00 64.42 C ATOM 725 CG1 ILE A 56 -5.827 8.949 -1.887 1.00 11.31 C ATOM 726 CG2 ILE A 56 -7.336 10.265 -0.315 1.00 44.53 C ATOM 727 CD1 ILE A 56 -6.297 7.664 -1.198 1.00 32.00 C ATOM 0 H ILE A 56 -6.620 10.202 -4.446 1.00 11.20 H new ATOM 0 HA ILE A 56 -8.615 9.332 -2.465 1.00 41.34 H new ATOM 0 HB ILE A 56 -6.205 11.043 -1.984 1.00 64.42 H new ATOM 0 HG12 ILE A 56 -5.670 8.739 -2.945 1.00 11.31 H new ATOM 0 HG13 ILE A 56 -4.860 9.233 -1.472 1.00 11.31 H new ATOM 0 HG21 ILE A 56 -6.504 10.283 0.389 1.00 44.53 H new ATOM 0 HG22 ILE A 56 -7.914 11.184 -0.217 1.00 44.53 H new ATOM 0 HG23 ILE A 56 -7.976 9.409 -0.099 1.00 44.53 H new ATOM 0 HD11 ILE A 56 -5.554 6.880 -1.344 1.00 32.00 H new ATOM 0 HD12 ILE A 56 -6.424 7.849 -0.131 1.00 32.00 H new ATOM 0 HD13 ILE A 56 -7.248 7.348 -1.627 1.00 32.00 H new ATOM 738 N ARG A 57 -9.897 11.508 -2.315 1.00 40.41 N ATOM 739 CA ARG A 57 -10.778 12.677 -2.243 1.00 52.13 C ATOM 740 C ARG A 57 -11.516 12.751 -0.902 1.00 20.40 C ATOM 741 O ARG A 57 -12.631 13.277 -0.837 1.00 71.24 O ATOM 742 CB ARG A 57 -11.804 12.698 -3.388 1.00 21.31 C ATOM 743 CG ARG A 57 -11.300 12.288 -4.770 1.00 55.22 C ATOM 744 CD ARG A 57 -11.487 10.781 -5.007 1.00 71.25 C ATOM 745 NE ARG A 57 -12.489 10.547 -6.052 1.00 60.15 N ATOM 746 CZ ARG A 57 -13.806 10.365 -5.920 1.00 61.35 C ATOM 747 NH1 ARG A 57 -14.377 10.075 -4.755 1.00 63.24 N ATOM 748 NH2 ARG A 57 -14.562 10.494 -6.996 1.00 32.02 N ATOM 0 H ARG A 57 -10.331 10.677 -1.912 1.00 40.41 H new ATOM 0 HA ARG A 57 -10.130 13.548 -2.339 1.00 52.13 H new ATOM 0 HB2 ARG A 57 -12.629 12.039 -3.118 1.00 21.31 H new ATOM 0 HB3 ARG A 57 -12.212 13.706 -3.460 1.00 21.31 H new ATOM 0 HG2 ARG A 57 -11.836 12.848 -5.536 1.00 55.22 H new ATOM 0 HG3 ARG A 57 -10.245 12.546 -4.866 1.00 55.22 H new ATOM 0 HD2 ARG A 57 -10.537 10.332 -5.298 1.00 71.25 H new ATOM 0 HD3 ARG A 57 -11.798 10.297 -4.081 1.00 71.25 H new ATOM 0 HE ARG A 57 -12.133 10.520 -7.007 1.00 60.15 H new ATOM 0 HH11 ARG A 57 -13.805 9.983 -3.916 1.00 63.24 H new ATOM 0 HH12 ARG A 57 -15.387 9.944 -4.701 1.00 63.24 H new ATOM 0 HH21 ARG A 57 -14.136 10.726 -7.893 1.00 32.02 H new ATOM 0 HH22 ARG A 57 -15.571 10.361 -6.929 1.00 32.02 H new ATOM 759 N THR A 58 -10.938 12.197 0.156 1.00 32.01 N ATOM 760 CA THR A 58 -11.486 12.239 1.503 1.00 24.22 C ATOM 761 C THR A 58 -10.443 12.829 2.446 1.00 3.12 C ATOM 762 O THR A 58 -9.306 13.090 2.039 1.00 72.44 O ATOM 763 CB THR A 58 -11.889 10.823 1.939 1.00 44.53 C ATOM 764 OG1 THR A 58 -10.814 9.937 1.729 1.00 64.32 O ATOM 765 CG2 THR A 58 -13.101 10.301 1.176 1.00 1.10 C ATOM 0 H THR A 58 -10.053 11.694 0.098 1.00 32.01 H new ATOM 0 HA THR A 58 -12.376 12.868 1.529 1.00 24.22 H new ATOM 0 HB THR A 58 -12.150 10.879 2.996 1.00 44.53 H new ATOM 0 HG1 THR A 58 -10.818 9.247 2.425 1.00 64.32 H new ATOM 0 HG21 THR A 58 -13.344 9.297 1.522 1.00 1.10 H new ATOM 0 HG22 THR A 58 -13.952 10.960 1.349 1.00 1.10 H new ATOM 0 HG23 THR A 58 -12.875 10.272 0.110 1.00 1.10 H new ATOM 773 N ALA A 59 -10.801 13.033 3.716 1.00 55.14 N ATOM 774 CA ALA A 59 -9.798 13.241 4.750 1.00 13.40 C ATOM 775 C ALA A 59 -9.076 11.920 5.062 1.00 55.33 C ATOM 776 O ALA A 59 -7.853 11.927 5.204 1.00 31.34 O ATOM 777 CB ALA A 59 -10.453 13.862 5.985 1.00 34.21 C ATOM 0 H ALA A 59 -11.766 13.058 4.045 1.00 55.14 H new ATOM 0 HA ALA A 59 -9.039 13.940 4.399 1.00 13.40 H new ATOM 0 HB1 ALA A 59 -9.700 14.017 6.757 1.00 34.21 H new ATOM 0 HB2 ALA A 59 -10.900 14.819 5.717 1.00 34.21 H new ATOM 0 HB3 ALA A 59 -11.227 13.193 6.362 1.00 34.21 H new ATOM 783 N THR A 60 -9.793 10.789 5.124 1.00 32.41 N ATOM 784 CA THR A 60 -9.222 9.465 5.371 1.00 15.53 C ATOM 785 C THR A 60 -9.852 8.407 4.463 1.00 1.21 C ATOM 786 O THR A 60 -11.004 8.550 4.038 1.00 0.22 O ATOM 787 CB THR A 60 -9.398 9.079 6.849 1.00 23.04 C ATOM 788 OG1 THR A 60 -10.766 9.030 7.225 1.00 23.14 O ATOM 789 CG2 THR A 60 -8.707 10.064 7.785 1.00 35.01 C ATOM 0 H THR A 60 -10.805 10.773 5.001 1.00 32.41 H new ATOM 0 HA THR A 60 -8.158 9.509 5.140 1.00 15.53 H new ATOM 0 HB THR A 60 -8.945 8.092 6.943 1.00 23.04 H new ATOM 0 HG1 THR A 60 -10.837 8.780 8.170 1.00 23.14 H new ATOM 0 HG21 THR A 60 -8.858 9.751 8.818 1.00 35.01 H new ATOM 0 HG22 THR A 60 -7.640 10.087 7.565 1.00 35.01 H new ATOM 0 HG23 THR A 60 -9.129 11.059 7.642 1.00 35.01 H new ATOM 797 N MET A 61 -9.130 7.318 4.214 1.00 3.33 N ATOM 798 CA MET A 61 -9.532 6.167 3.415 1.00 72.11 C ATOM 799 C MET A 61 -9.085 4.862 4.053 1.00 54.35 C ATOM 800 O MET A 61 -8.226 4.853 4.934 1.00 54.13 O ATOM 801 CB MET A 61 -8.901 6.264 2.017 1.00 55.12 C ATOM 802 CG MET A 61 -9.968 6.614 0.999 1.00 23.02 C ATOM 803 SD MET A 61 -11.218 5.319 0.768 1.00 41.22 S ATOM 804 CE MET A 61 -10.181 4.116 -0.091 1.00 3.13 C ATOM 0 H MET A 61 -8.188 7.210 4.590 1.00 3.33 H new ATOM 0 HA MET A 61 -10.620 6.174 3.350 1.00 72.11 H new ATOM 0 HB2 MET A 61 -8.118 7.022 2.013 1.00 55.12 H new ATOM 0 HB3 MET A 61 -8.430 5.317 1.753 1.00 55.12 H new ATOM 0 HG2 MET A 61 -10.465 7.533 1.309 1.00 23.02 H new ATOM 0 HG3 MET A 61 -9.489 6.818 0.041 1.00 23.02 H new ATOM 0 HE1 MET A 61 -10.804 3.312 -0.483 1.00 3.13 H new ATOM 0 HE2 MET A 61 -9.661 4.606 -0.914 1.00 3.13 H new ATOM 0 HE3 MET A 61 -9.451 3.703 0.605 1.00 3.13 H new ATOM 812 N SER A 62 -9.616 3.757 3.534 1.00 42.54 N ATOM 813 CA SER A 62 -9.147 2.413 3.825 1.00 20.42 C ATOM 814 C SER A 62 -9.427 1.486 2.635 1.00 31.12 C ATOM 815 O SER A 62 -10.368 1.722 1.872 1.00 23.02 O ATOM 816 CB SER A 62 -9.769 1.925 5.144 1.00 71.43 C ATOM 817 OG SER A 62 -11.106 1.450 5.036 1.00 52.03 O ATOM 0 H SER A 62 -10.402 3.777 2.885 1.00 42.54 H new ATOM 0 HA SER A 62 -8.066 2.409 3.965 1.00 20.42 H new ATOM 0 HB2 SER A 62 -9.147 1.127 5.549 1.00 71.43 H new ATOM 0 HB3 SER A 62 -9.746 2.743 5.864 1.00 71.43 H new ATOM 0 HG SER A 62 -11.661 2.131 4.601 1.00 52.03 H new ATOM 822 N CYS A 63 -8.629 0.430 2.457 1.00 21.32 N ATOM 823 CA CYS A 63 -8.835 -0.625 1.465 1.00 21.31 C ATOM 824 C CYS A 63 -8.349 -1.943 2.058 1.00 24.23 C ATOM 825 O CYS A 63 -7.340 -1.939 2.765 1.00 52.52 O ATOM 826 CB CYS A 63 -7.989 -0.341 0.209 1.00 42.24 C ATOM 827 SG CYS A 63 -8.451 1.227 -0.565 1.00 23.24 S ATOM 0 H CYS A 63 -7.792 0.282 3.021 1.00 21.32 H new ATOM 0 HA CYS A 63 -9.892 -0.668 1.201 1.00 21.31 H new ATOM 0 HB2 CYS A 63 -6.933 -0.317 0.479 1.00 42.24 H new ATOM 0 HB3 CYS A 63 -8.117 -1.153 -0.507 1.00 42.24 H new ATOM 0 HG CYS A 63 -7.380 1.843 -0.969 1.00 23.24 H new ATOM 832 N CYS A 64 -8.959 -3.070 1.686 1.00 30.04 N ATOM 833 CA CYS A 64 -8.397 -4.391 1.989 1.00 73.44 C ATOM 834 C CYS A 64 -8.528 -5.336 0.797 1.00 54.24 C ATOM 835 O CYS A 64 -9.116 -4.988 -0.236 1.00 54.24 O ATOM 836 CB CYS A 64 -8.997 -4.971 3.279 1.00 2.13 C ATOM 837 SG CYS A 64 -10.789 -5.236 3.154 1.00 71.54 S ATOM 0 H CYS A 64 -9.841 -3.096 1.175 1.00 30.04 H new ATOM 0 HA CYS A 64 -7.329 -4.272 2.172 1.00 73.44 H new ATOM 0 HB2 CYS A 64 -8.508 -5.918 3.510 1.00 2.13 H new ATOM 0 HB3 CYS A 64 -8.790 -4.295 4.108 1.00 2.13 H new ATOM 0 HG CYS A 64 -11.234 -5.728 4.272 1.00 71.54 H new ATOM 842 N THR A 65 -7.952 -6.529 0.932 1.00 30.21 N ATOM 843 CA THR A 65 -7.976 -7.553 -0.101 1.00 14.12 C ATOM 844 C THR A 65 -8.914 -8.673 0.347 1.00 42.13 C ATOM 845 O THR A 65 -9.282 -8.767 1.523 1.00 13.14 O ATOM 846 CB THR A 65 -6.534 -8.018 -0.428 1.00 3.14 C ATOM 847 OG1 THR A 65 -5.985 -8.875 0.545 1.00 33.11 O ATOM 848 CG2 THR A 65 -5.542 -6.856 -0.510 1.00 73.10 C ATOM 0 H THR A 65 -7.450 -6.811 1.774 1.00 30.21 H new ATOM 0 HA THR A 65 -8.370 -7.163 -1.039 1.00 14.12 H new ATOM 0 HB THR A 65 -6.656 -8.526 -1.385 1.00 3.14 H new ATOM 0 HG1 THR A 65 -6.477 -9.723 0.549 1.00 33.11 H new ATOM 0 HG21 THR A 65 -4.549 -7.241 -0.741 1.00 73.10 H new ATOM 0 HG22 THR A 65 -5.855 -6.165 -1.293 1.00 73.10 H new ATOM 0 HG23 THR A 65 -5.515 -6.333 0.446 1.00 73.10 H new ATOM 856 N ASN A 66 -9.246 -9.576 -0.573 1.00 53.11 N ATOM 857 CA ASN A 66 -9.742 -10.896 -0.193 1.00 44.32 C ATOM 858 C ASN A 66 -8.641 -11.636 0.566 1.00 74.32 C ATOM 859 O ASN A 66 -7.475 -11.223 0.565 1.00 10.11 O ATOM 860 CB ASN A 66 -10.202 -11.729 -1.397 1.00 52.40 C ATOM 861 CG ASN A 66 -9.058 -12.482 -2.039 1.00 23.22 C ATOM 862 OD1 ASN A 66 -9.032 -13.696 -1.967 1.00 4.12 O ATOM 863 ND2 ASN A 66 -8.070 -11.800 -2.593 1.00 62.02 N ATOM 0 H ASN A 66 -9.181 -9.420 -1.579 1.00 53.11 H new ATOM 0 HA ASN A 66 -10.619 -10.754 0.439 1.00 44.32 H new ATOM 0 HB2 ASN A 66 -10.967 -12.437 -1.077 1.00 52.40 H new ATOM 0 HB3 ASN A 66 -10.664 -11.074 -2.136 1.00 52.40 H new ATOM 0 HD21 ASN A 66 -7.261 -12.292 -2.973 1.00 62.02 H new ATOM 0 HD22 ASN A 66 -8.117 -10.782 -2.641 1.00 62.02 H new ATOM 869 N GLY A 67 -9.002 -12.762 1.160 1.00 23.53 N ATOM 870 CA GLY A 67 -8.118 -13.475 2.071 1.00 34.13 C ATOM 871 C GLY A 67 -7.003 -14.220 1.334 1.00 72.24 C ATOM 872 O GLY A 67 -5.931 -14.409 1.906 1.00 25.45 O ATOM 0 H GLY A 67 -9.910 -13.206 1.026 1.00 23.53 H new ATOM 0 HA2 GLY A 67 -7.677 -12.768 2.773 1.00 34.13 H new ATOM 0 HA3 GLY A 67 -8.701 -14.185 2.657 1.00 34.13 H new ATOM 876 N ASN A 68 -7.194 -14.612 0.067 1.00 64.53 N ATOM 877 CA ASN A 68 -6.114 -15.116 -0.781 1.00 52.04 C ATOM 878 C ASN A 68 -5.286 -13.925 -1.251 1.00 73.13 C ATOM 879 O ASN A 68 -5.593 -13.344 -2.303 1.00 25.43 O ATOM 880 CB ASN A 68 -6.642 -15.910 -1.998 1.00 32.32 C ATOM 881 CG ASN A 68 -6.839 -17.388 -1.736 1.00 70.54 C ATOM 882 OD1 ASN A 68 -7.927 -17.910 -1.943 1.00 74.43 O ATOM 883 ND2 ASN A 68 -5.799 -18.091 -1.328 1.00 52.32 N ATOM 0 H ASN A 68 -8.103 -14.587 -0.395 1.00 64.53 H new ATOM 0 HA ASN A 68 -5.507 -15.808 -0.198 1.00 52.04 H new ATOM 0 HB2 ASN A 68 -7.592 -15.479 -2.315 1.00 32.32 H new ATOM 0 HB3 ASN A 68 -5.945 -15.789 -2.827 1.00 32.32 H new ATOM 0 HD21 ASN A 68 -5.890 -19.096 -1.177 1.00 52.32 H new ATOM 0 HD22 ASN A 68 -4.904 -17.630 -1.163 1.00 52.32 H new ATOM 889 N ALA A 69 -4.252 -13.567 -0.484 1.00 44.23 N ATOM 890 CA ALA A 69 -3.120 -12.772 -0.928 1.00 54.12 C ATOM 891 C ALA A 69 -1.946 -12.929 0.039 1.00 42.13 C ATOM 892 O ALA A 69 -2.072 -13.519 1.112 1.00 11.24 O ATOM 893 CB ALA A 69 -3.489 -11.280 -0.972 1.00 22.41 C ATOM 0 H ALA A 69 -4.185 -13.836 0.498 1.00 44.23 H new ATOM 0 HA ALA A 69 -2.845 -13.123 -1.923 1.00 54.12 H new ATOM 0 HB1 ALA A 69 -2.628 -10.702 -1.307 1.00 22.41 H new ATOM 0 HB2 ALA A 69 -4.318 -11.130 -1.664 1.00 22.41 H new ATOM 0 HB3 ALA A 69 -3.783 -10.949 0.024 1.00 22.41 H new ATOM 899 N PHE A 70 -0.814 -12.347 -0.358 1.00 42.33 N ATOM 900 CA PHE A 70 0.484 -12.388 0.302 1.00 10.13 C ATOM 901 C PHE A 70 1.124 -11.013 0.454 1.00 3.33 C ATOM 902 O PHE A 70 2.121 -10.877 1.167 1.00 72.22 O ATOM 903 CB PHE A 70 1.416 -13.257 -0.545 1.00 13.51 C ATOM 904 CG PHE A 70 1.010 -14.705 -0.692 1.00 10.12 C ATOM 905 CD1 PHE A 70 0.322 -15.383 0.334 1.00 31.33 C ATOM 906 CD2 PHE A 70 1.359 -15.392 -1.862 1.00 43.12 C ATOM 907 CE1 PHE A 70 0.025 -16.745 0.217 1.00 41.13 C ATOM 908 CE2 PHE A 70 1.096 -16.766 -1.960 1.00 74.12 C ATOM 909 CZ PHE A 70 0.429 -17.446 -0.925 1.00 31.34 C ATOM 0 H PHE A 70 -0.782 -11.794 -1.214 1.00 42.33 H new ATOM 0 HA PHE A 70 0.332 -12.788 1.304 1.00 10.13 H new ATOM 0 HB2 PHE A 70 1.489 -12.817 -1.539 1.00 13.51 H new ATOM 0 HB3 PHE A 70 2.413 -13.221 -0.107 1.00 13.51 H new ATOM 0 HD1 PHE A 70 0.021 -14.845 1.221 1.00 31.33 H new ATOM 0 HD2 PHE A 70 1.827 -14.868 -2.682 1.00 43.12 H new ATOM 0 HE1 PHE A 70 -0.513 -17.253 1.004 1.00 41.13 H new ATOM 0 HE2 PHE A 70 1.409 -17.308 -2.840 1.00 74.12 H new ATOM 0 HZ PHE A 70 0.230 -18.504 -1.011 1.00 31.34 H new ATOM 918 N PHE A 71 0.591 -10.008 -0.234 1.00 64.21 N ATOM 919 CA PHE A 71 0.892 -8.613 -0.018 1.00 13.24 C ATOM 920 C PHE A 71 -0.260 -7.808 -0.602 1.00 11.25 C ATOM 921 O PHE A 71 -1.091 -8.324 -1.359 1.00 54.33 O ATOM 922 CB PHE A 71 2.223 -8.206 -0.669 1.00 64.03 C ATOM 923 CG PHE A 71 2.174 -8.053 -2.171 1.00 50.54 C ATOM 924 CD1 PHE A 71 2.166 -9.197 -2.983 1.00 30.15 C ATOM 925 CD2 PHE A 71 2.133 -6.770 -2.750 1.00 3.33 C ATOM 926 CE1 PHE A 71 2.112 -9.054 -4.379 1.00 32.02 C ATOM 927 CE2 PHE A 71 2.047 -6.633 -4.144 1.00 14.45 C ATOM 928 CZ PHE A 71 2.042 -7.776 -4.958 1.00 54.20 C ATOM 0 H PHE A 71 -0.086 -10.157 -0.982 1.00 64.21 H new ATOM 0 HA PHE A 71 1.003 -8.420 1.049 1.00 13.24 H new ATOM 0 HB2 PHE A 71 2.551 -7.263 -0.232 1.00 64.03 H new ATOM 0 HB3 PHE A 71 2.977 -8.952 -0.418 1.00 64.03 H new ATOM 0 HD1 PHE A 71 2.201 -10.180 -2.538 1.00 30.15 H new ATOM 0 HD2 PHE A 71 2.168 -5.892 -2.122 1.00 3.33 H new ATOM 0 HE1 PHE A 71 2.124 -9.930 -5.010 1.00 32.02 H new ATOM 0 HE2 PHE A 71 1.985 -5.651 -4.589 1.00 14.45 H new ATOM 0 HZ PHE A 71 1.984 -7.673 -6.032 1.00 54.20 H new ATOM 937 N MET A 72 -0.235 -6.519 -0.305 1.00 64.31 N ATOM 938 CA MET A 72 -1.032 -5.480 -0.910 1.00 74.33 C ATOM 939 C MET A 72 -0.055 -4.342 -1.215 1.00 31.01 C ATOM 940 O MET A 72 0.993 -4.238 -0.563 1.00 50.43 O ATOM 941 CB MET A 72 -2.103 -5.085 0.111 1.00 64.24 C ATOM 942 CG MET A 72 -3.211 -4.221 -0.471 1.00 64.23 C ATOM 943 SD MET A 72 -4.372 -3.709 0.819 1.00 14.22 S ATOM 944 CE MET A 72 -5.690 -3.081 -0.235 1.00 10.55 C ATOM 0 H MET A 72 0.387 -6.153 0.415 1.00 64.31 H new ATOM 0 HA MET A 72 -1.541 -5.771 -1.829 1.00 74.33 H new ATOM 0 HB2 MET A 72 -2.542 -5.989 0.532 1.00 64.24 H new ATOM 0 HB3 MET A 72 -1.629 -4.548 0.933 1.00 64.24 H new ATOM 0 HG2 MET A 72 -2.779 -3.341 -0.948 1.00 64.23 H new ATOM 0 HG3 MET A 72 -3.742 -4.775 -1.245 1.00 64.23 H new ATOM 0 HE1 MET A 72 -6.655 -3.277 0.233 1.00 10.55 H new ATOM 0 HE2 MET A 72 -5.565 -2.007 -0.373 1.00 10.55 H new ATOM 0 HE3 MET A 72 -5.649 -3.578 -1.204 1.00 10.55 H new ATOM 952 N THR A 73 -0.366 -3.488 -2.185 1.00 45.13 N ATOM 953 CA THR A 73 0.429 -2.308 -2.491 1.00 10.35 C ATOM 954 C THR A 73 -0.480 -1.088 -2.567 1.00 63.04 C ATOM 955 O THR A 73 -1.704 -1.209 -2.715 1.00 54.31 O ATOM 956 CB THR A 73 1.279 -2.530 -3.756 1.00 42.31 C ATOM 957 OG1 THR A 73 2.135 -1.424 -3.950 1.00 23.12 O ATOM 958 CG2 THR A 73 0.454 -2.744 -5.030 1.00 51.14 C ATOM 0 H THR A 73 -1.184 -3.598 -2.785 1.00 45.13 H new ATOM 0 HA THR A 73 1.145 -2.121 -1.690 1.00 10.35 H new ATOM 0 HB THR A 73 1.842 -3.447 -3.585 1.00 42.31 H new ATOM 0 HG1 THR A 73 2.677 -1.567 -4.754 1.00 23.12 H new ATOM 0 HG21 THR A 73 1.124 -2.893 -5.877 1.00 51.14 H new ATOM 0 HG22 THR A 73 -0.180 -3.623 -4.910 1.00 51.14 H new ATOM 0 HG23 THR A 73 -0.170 -1.869 -5.211 1.00 51.14 H new ATOM 966 N CYS A 74 0.136 0.087 -2.450 1.00 44.42 N ATOM 967 CA CYS A 74 -0.504 1.372 -2.614 1.00 45.44 C ATOM 968 C CYS A 74 0.494 2.412 -3.150 1.00 33.23 C ATOM 969 O CYS A 74 0.556 3.534 -2.643 1.00 5.33 O ATOM 970 CB CYS A 74 -1.165 1.773 -1.290 1.00 13.24 C ATOM 971 SG CYS A 74 -2.765 2.526 -1.695 1.00 21.22 S ATOM 0 H CYS A 74 1.129 0.163 -2.231 1.00 44.42 H new ATOM 0 HA CYS A 74 -1.293 1.314 -3.364 1.00 45.44 H new ATOM 0 HB2 CYS A 74 -1.301 0.902 -0.649 1.00 13.24 H new ATOM 0 HB3 CYS A 74 -0.536 2.476 -0.744 1.00 13.24 H new ATOM 0 HG CYS A 74 -3.725 1.732 -1.323 1.00 21.22 H new ATOM 976 N ALA A 75 1.341 2.037 -4.112 1.00 54.12 N ATOM 977 CA ALA A 75 2.252 2.972 -4.771 1.00 64.41 C ATOM 978 C ALA A 75 1.457 4.047 -5.526 1.00 4.20 C ATOM 979 O ALA A 75 0.508 3.704 -6.239 1.00 2.13 O ATOM 980 CB ALA A 75 3.184 2.190 -5.696 1.00 41.15 C ATOM 0 H ALA A 75 1.413 1.079 -4.454 1.00 54.12 H new ATOM 0 HA ALA A 75 2.861 3.489 -4.030 1.00 64.41 H new ATOM 0 HB1 ALA A 75 3.867 2.880 -6.192 1.00 41.15 H new ATOM 0 HB2 ALA A 75 3.756 1.470 -5.111 1.00 41.15 H new ATOM 0 HB3 ALA A 75 2.594 1.662 -6.445 1.00 41.15 H new ATOM 986 N GLY A 76 1.831 5.326 -5.399 1.00 33.24 N ATOM 987 CA GLY A 76 1.076 6.430 -5.958 1.00 10.31 C ATOM 988 C GLY A 76 1.979 7.583 -6.337 1.00 54.31 C ATOM 989 O GLY A 76 3.199 7.540 -6.129 1.00 70.23 O ATOM 0 H GLY A 76 2.673 5.615 -4.901 1.00 33.24 H new ATOM 0 HA2 GLY A 76 0.529 6.090 -6.838 1.00 10.31 H new ATOM 0 HA3 GLY A 76 0.335 6.769 -5.234 1.00 10.31 H new ATOM 993 N SER A 77 1.357 8.627 -6.873 1.00 65.15 N ATOM 994 CA SER A 77 2.030 9.772 -7.435 1.00 4.42 C ATOM 995 C SER A 77 1.313 11.020 -6.950 1.00 24.40 C ATOM 996 O SER A 77 0.082 11.085 -6.996 1.00 53.51 O ATOM 997 CB SER A 77 2.093 9.688 -8.962 1.00 50.23 C ATOM 998 OG SER A 77 1.870 8.396 -9.516 1.00 14.21 O ATOM 0 H SER A 77 0.341 8.693 -6.926 1.00 65.15 H new ATOM 0 HA SER A 77 3.067 9.803 -7.101 1.00 4.42 H new ATOM 0 HB2 SER A 77 1.354 10.374 -9.377 1.00 50.23 H new ATOM 0 HB3 SER A 77 3.072 10.039 -9.287 1.00 50.23 H new ATOM 0 HG SER A 77 1.928 8.444 -10.493 1.00 14.21 H new ATOM 1003 N VAL A 78 2.068 11.988 -6.443 1.00 33.21 N ATOM 1004 CA VAL A 78 1.539 13.284 -6.082 1.00 12.30 C ATOM 1005 C VAL A 78 1.641 14.188 -7.288 1.00 25.33 C ATOM 1006 O VAL A 78 2.635 14.104 -8.020 1.00 5.42 O ATOM 1007 CB VAL A 78 2.277 13.863 -4.861 1.00 62.25 C ATOM 1008 CG1 VAL A 78 1.838 15.294 -4.492 1.00 30.13 C ATOM 1009 CG2 VAL A 78 2.062 12.909 -3.679 1.00 72.41 C ATOM 0 H VAL A 78 3.069 11.888 -6.273 1.00 33.21 H new ATOM 0 HA VAL A 78 0.493 13.195 -5.790 1.00 12.30 H new ATOM 0 HB VAL A 78 3.334 13.944 -5.114 1.00 62.25 H new ATOM 0 HG11 VAL A 78 2.401 15.635 -3.623 1.00 30.13 H new ATOM 0 HG12 VAL A 78 2.029 15.961 -5.332 1.00 30.13 H new ATOM 0 HG13 VAL A 78 0.773 15.299 -4.259 1.00 30.13 H new ATOM 0 HG21 VAL A 78 2.576 13.297 -2.800 1.00 72.41 H new ATOM 0 HG22 VAL A 78 0.996 12.825 -3.469 1.00 72.41 H new ATOM 0 HG23 VAL A 78 2.461 11.926 -3.928 1.00 72.41 H new ATOM 1019 N SER A 79 0.679 15.104 -7.440 1.00 14.34 N ATOM 1020 CA SER A 79 0.979 16.308 -8.208 1.00 4.30 C ATOM 1021 C SER A 79 0.143 17.472 -7.711 1.00 34.43 C ATOM 1022 O SER A 79 -0.888 17.296 -7.067 1.00 25.01 O ATOM 1023 CB SER A 79 0.695 15.991 -9.689 1.00 43.24 C ATOM 1024 OG SER A 79 0.885 17.072 -10.573 1.00 24.24 O ATOM 0 H SER A 79 -0.266 15.040 -7.062 1.00 14.34 H new ATOM 0 HA SER A 79 2.022 16.600 -8.089 1.00 4.30 H new ATOM 0 HB2 SER A 79 1.339 15.169 -10.000 1.00 43.24 H new ATOM 0 HB3 SER A 79 -0.334 15.642 -9.780 1.00 43.24 H new ATOM 0 HG SER A 79 1.627 17.628 -10.255 1.00 24.24 H new ATOM 1029 N SER A 80 0.593 18.683 -8.005 1.00 23.14 N ATOM 1030 CA SER A 80 -0.236 19.858 -7.885 1.00 33.40 C ATOM 1031 C SER A 80 0.181 20.857 -8.952 1.00 53.22 C ATOM 1032 O SER A 80 1.358 20.998 -9.288 1.00 65.25 O ATOM 1033 CB SER A 80 -0.203 20.420 -6.457 1.00 43.25 C ATOM 1034 OG SER A 80 -1.206 21.405 -6.308 1.00 30.32 O ATOM 0 H SER A 80 1.541 18.871 -8.332 1.00 23.14 H new ATOM 0 HA SER A 80 -1.282 19.607 -8.060 1.00 33.40 H new ATOM 0 HB2 SER A 80 -0.359 19.617 -5.736 1.00 43.25 H new ATOM 0 HB3 SER A 80 0.776 20.850 -6.248 1.00 43.25 H new ATOM 0 HG SER A 80 -2.087 20.976 -6.303 1.00 30.32 H new ATOM 1039 N ILE A 81 -0.812 21.557 -9.474 1.00 24.24 N ATOM 1040 CA ILE A 81 -0.696 22.641 -10.439 1.00 45.24 C ATOM 1041 C ILE A 81 -1.238 23.939 -9.817 1.00 53.13 C ATOM 1042 O ILE A 81 -1.700 24.830 -10.534 1.00 62.25 O ATOM 1043 CB ILE A 81 -1.438 22.239 -11.731 1.00 24.22 C ATOM 1044 CG1 ILE A 81 -2.880 21.780 -11.423 1.00 73.15 C ATOM 1045 CG2 ILE A 81 -0.678 21.149 -12.500 1.00 2.44 C ATOM 1046 CD1 ILE A 81 -3.807 21.944 -12.618 1.00 32.30 C ATOM 0 H ILE A 81 -1.783 21.373 -9.220 1.00 24.24 H new ATOM 0 HA ILE A 81 0.346 22.825 -10.701 1.00 45.24 H new ATOM 0 HB ILE A 81 -1.488 23.124 -12.366 1.00 24.22 H new ATOM 0 HG12 ILE A 81 -2.868 20.734 -11.116 1.00 73.15 H new ATOM 0 HG13 ILE A 81 -3.270 22.354 -10.582 1.00 73.15 H new ATOM 0 HG21 ILE A 81 -1.229 20.890 -13.404 1.00 2.44 H new ATOM 0 HG22 ILE A 81 0.311 21.518 -12.771 1.00 2.44 H new ATOM 0 HG23 ILE A 81 -0.576 20.264 -11.872 1.00 2.44 H new ATOM 0 HD11 ILE A 81 -4.809 21.607 -12.350 1.00 32.30 H new ATOM 0 HD12 ILE A 81 -3.843 22.994 -12.909 1.00 32.30 H new ATOM 0 HD13 ILE A 81 -3.435 21.348 -13.452 1.00 32.30 H new ATOM 1057 N SER A 82 -1.324 23.984 -8.485 1.00 72.11 N ATOM 1058 CA SER A 82 -1.780 25.137 -7.722 1.00 70.22 C ATOM 1059 C SER A 82 -0.682 26.186 -7.580 1.00 4.34 C ATOM 1060 O SER A 82 0.464 25.983 -7.990 1.00 45.22 O ATOM 1061 CB SER A 82 -2.295 24.687 -6.352 1.00 32.43 C ATOM 1062 OG SER A 82 -1.351 23.967 -5.577 1.00 31.10 O ATOM 0 H SER A 82 -1.069 23.192 -7.895 1.00 72.11 H new ATOM 0 HA SER A 82 -2.599 25.605 -8.267 1.00 70.22 H new ATOM 0 HB2 SER A 82 -2.613 25.566 -5.791 1.00 32.43 H new ATOM 0 HB3 SER A 82 -3.178 24.065 -6.496 1.00 32.43 H new ATOM 0 HG SER A 82 -1.440 23.009 -5.761 1.00 31.10 H new ATOM 1067 N GLU A 83 -1.049 27.309 -6.972 1.00 51.53 N ATOM 1068 CA GLU A 83 -0.139 28.409 -6.708 1.00 23.30 C ATOM 1069 C GLU A 83 0.874 28.027 -5.623 1.00 2.43 C ATOM 1070 O GLU A 83 0.708 27.041 -4.906 1.00 32.12 O ATOM 1071 CB GLU A 83 -0.921 29.666 -6.310 1.00 72.02 C ATOM 1072 CG GLU A 83 -2.063 29.988 -7.288 1.00 1.14 C ATOM 1073 CD GLU A 83 -2.871 31.221 -6.902 1.00 10.21 C ATOM 1074 OE1 GLU A 83 -3.503 31.219 -5.824 1.00 70.31 O ATOM 1075 OE2 GLU A 83 -2.910 32.175 -7.720 1.00 24.33 O ATOM 0 H GLU A 83 -2.000 27.479 -6.646 1.00 51.53 H new ATOM 0 HA GLU A 83 0.414 28.626 -7.622 1.00 23.30 H new ATOM 0 HB2 GLU A 83 -1.332 29.532 -5.309 1.00 72.02 H new ATOM 0 HB3 GLU A 83 -0.238 30.514 -6.263 1.00 72.02 H new ATOM 0 HG2 GLU A 83 -1.646 30.135 -8.284 1.00 1.14 H new ATOM 0 HG3 GLU A 83 -2.732 29.130 -7.346 1.00 1.14 H new ATOM 1080 N ALA A 84 1.919 28.838 -5.478 1.00 25.30 N ATOM 1081 CA ALA A 84 2.930 28.777 -4.433 1.00 43.32 C ATOM 1082 C ALA A 84 2.345 28.929 -3.020 1.00 50.35 C ATOM 1083 O ALA A 84 1.290 29.543 -2.816 1.00 64.03 O ATOM 1084 CB ALA A 84 3.957 29.887 -4.687 1.00 1.12 C ATOM 0 H ALA A 84 2.090 29.603 -6.130 1.00 25.30 H new ATOM 0 HA ALA A 84 3.393 27.791 -4.474 1.00 43.32 H new ATOM 0 HB1 ALA A 84 4.724 29.857 -3.913 1.00 1.12 H new ATOM 0 HB2 ALA A 84 4.420 29.738 -5.662 1.00 1.12 H new ATOM 0 HB3 ALA A 84 3.458 30.856 -4.666 1.00 1.12 H new ATOM 1090 N GLY A 85 3.088 28.447 -2.024 1.00 71.34 N ATOM 1091 CA GLY A 85 2.819 28.628 -0.602 1.00 11.41 C ATOM 1092 C GLY A 85 1.801 27.639 -0.029 1.00 24.13 C ATOM 1093 O GLY A 85 1.665 27.563 1.196 1.00 5.44 O ATOM 0 H GLY A 85 3.929 27.897 -2.196 1.00 71.34 H new ATOM 0 HA2 GLY A 85 3.754 28.531 -0.051 1.00 11.41 H new ATOM 0 HA3 GLY A 85 2.456 29.643 -0.438 1.00 11.41 H new ATOM 1097 N LYS A 86 1.117 26.872 -0.883 1.00 45.24 N ATOM 1098 CA LYS A 86 0.162 25.826 -0.516 1.00 73.05 C ATOM 1099 C LYS A 86 0.929 24.692 0.166 1.00 51.23 C ATOM 1100 O LYS A 86 2.143 24.582 -0.017 1.00 1.11 O ATOM 1101 CB LYS A 86 -0.579 25.324 -1.776 1.00 50.52 C ATOM 1102 CG LYS A 86 -1.205 26.438 -2.639 1.00 23.41 C ATOM 1103 CD LYS A 86 -2.485 27.048 -2.069 1.00 63.23 C ATOM 1104 CE LYS A 86 -3.716 26.366 -2.668 1.00 2.30 C ATOM 1105 NZ LYS A 86 -4.922 26.714 -1.903 1.00 11.52 N ATOM 0 H LYS A 86 1.219 26.969 -1.893 1.00 45.24 H new ATOM 0 HA LYS A 86 -0.587 26.216 0.173 1.00 73.05 H new ATOM 0 HB2 LYS A 86 0.120 24.756 -2.390 1.00 50.52 H new ATOM 0 HB3 LYS A 86 -1.366 24.635 -1.468 1.00 50.52 H new ATOM 0 HG2 LYS A 86 -0.469 27.231 -2.773 1.00 23.41 H new ATOM 0 HG3 LYS A 86 -1.421 26.034 -3.628 1.00 23.41 H new ATOM 0 HD2 LYS A 86 -2.494 26.941 -0.984 1.00 63.23 H new ATOM 0 HD3 LYS A 86 -2.513 28.116 -2.284 1.00 63.23 H new ATOM 0 HE2 LYS A 86 -3.838 26.670 -3.708 1.00 2.30 H new ATOM 0 HE3 LYS A 86 -3.577 25.285 -2.666 1.00 2.30 H new ATOM 0 HZ1 LYS A 86 -5.726 26.152 -2.248 1.00 11.52 H new ATOM 0 HZ2 LYS A 86 -4.765 26.511 -0.895 1.00 11.52 H new ATOM 0 HZ3 LYS A 86 -5.130 27.726 -2.024 1.00 11.52 H new ATOM 1115 N ARG A 87 0.255 23.844 0.946 1.00 52.23 N ATOM 1116 CA ARG A 87 0.895 22.826 1.789 1.00 44.32 C ATOM 1117 C ARG A 87 0.053 21.560 1.852 1.00 2.50 C ATOM 1118 O ARG A 87 -1.102 21.588 1.443 1.00 70.42 O ATOM 1119 CB ARG A 87 1.119 23.424 3.181 1.00 10.32 C ATOM 1120 CG ARG A 87 -0.182 23.598 3.971 1.00 63.44 C ATOM 1121 CD ARG A 87 -0.025 24.688 5.022 1.00 3.13 C ATOM 1122 NE ARG A 87 -1.297 24.901 5.725 1.00 40.25 N ATOM 1123 CZ ARG A 87 -1.435 25.414 6.946 1.00 11.34 C ATOM 1124 NH1 ARG A 87 -0.389 25.949 7.567 1.00 40.11 N ATOM 1125 NH2 ARG A 87 -2.616 25.360 7.547 1.00 41.11 N ATOM 0 H ARG A 87 -0.763 23.843 1.012 1.00 52.23 H new ATOM 0 HA ARG A 87 1.855 22.539 1.360 1.00 44.32 H new ATOM 0 HB2 ARG A 87 1.796 22.781 3.743 1.00 10.32 H new ATOM 0 HB3 ARG A 87 1.609 24.392 3.080 1.00 10.32 H new ATOM 0 HG2 ARG A 87 -0.995 23.854 3.292 1.00 63.44 H new ATOM 0 HG3 ARG A 87 -0.451 22.657 4.451 1.00 63.44 H new ATOM 0 HD2 ARG A 87 0.750 24.407 5.735 1.00 3.13 H new ATOM 0 HD3 ARG A 87 0.297 25.616 4.549 1.00 3.13 H new ATOM 0 HE ARG A 87 -2.150 24.632 5.235 1.00 40.25 H new ATOM 0 HH11 ARG A 87 0.522 25.967 7.108 1.00 40.11 H new ATOM 0 HH12 ARG A 87 -0.497 26.341 8.502 1.00 40.11 H new ATOM 0 HH21 ARG A 87 -3.410 24.928 7.074 1.00 41.11 H new ATOM 0 HH22 ARG A 87 -2.731 25.750 8.482 1.00 41.11 H new ATOM 1136 N LEU A 88 0.555 20.463 2.420 1.00 11.51 N ATOM 1137 CA LEU A 88 -0.182 19.218 2.545 1.00 43.32 C ATOM 1138 C LEU A 88 0.478 18.401 3.640 1.00 23.42 C ATOM 1139 O LEU A 88 1.648 18.636 3.932 1.00 74.44 O ATOM 1140 CB LEU A 88 -0.103 18.445 1.227 1.00 33.31 C ATOM 1141 CG LEU A 88 -1.236 17.410 1.166 1.00 32.14 C ATOM 1142 CD1 LEU A 88 -2.507 18.006 0.558 1.00 53.35 C ATOM 1143 CD2 LEU A 88 -0.748 16.168 0.452 1.00 34.31 C ATOM 0 H LEU A 88 1.497 20.420 2.809 1.00 11.51 H new ATOM 0 HA LEU A 88 -1.228 19.414 2.783 1.00 43.32 H new ATOM 0 HB2 LEU A 88 -0.180 19.133 0.385 1.00 33.31 H new ATOM 0 HB3 LEU A 88 0.863 17.947 1.144 1.00 33.31 H new ATOM 0 HG LEU A 88 -1.516 17.114 2.177 1.00 32.14 H new ATOM 0 HD11 LEU A 88 -3.288 17.246 0.530 1.00 53.35 H new ATOM 0 HD12 LEU A 88 -2.841 18.847 1.165 1.00 53.35 H new ATOM 0 HD13 LEU A 88 -2.299 18.350 -0.455 1.00 53.35 H new ATOM 0 HD21 LEU A 88 -1.552 15.433 0.409 1.00 34.31 H new ATOM 0 HD22 LEU A 88 -0.439 16.428 -0.561 1.00 34.31 H new ATOM 0 HD23 LEU A 88 0.099 15.747 0.993 1.00 34.31 H new ATOM 1154 N HIS A 89 -0.201 17.400 4.186 1.00 1.21 N ATOM 1155 CA HIS A 89 0.392 16.360 4.994 1.00 30.22 C ATOM 1156 C HIS A 89 -0.364 15.069 4.710 1.00 23.10 C ATOM 1157 O HIS A 89 -1.567 15.009 4.964 1.00 65.15 O ATOM 1158 CB HIS A 89 0.288 16.792 6.447 1.00 34.00 C ATOM 1159 CG HIS A 89 1.068 15.922 7.396 1.00 32.00 C ATOM 1160 ND1 HIS A 89 2.187 16.329 8.086 1.00 53.51 N ATOM 1161 CD2 HIS A 89 0.789 14.624 7.753 1.00 24.31 C ATOM 1162 CE1 HIS A 89 2.578 15.302 8.856 1.00 44.15 C ATOM 1163 NE2 HIS A 89 1.748 14.255 8.705 1.00 61.21 N ATOM 0 H HIS A 89 -1.209 17.293 4.071 1.00 1.21 H new ATOM 0 HA HIS A 89 1.445 16.191 4.767 1.00 30.22 H new ATOM 0 HB2 HIS A 89 0.641 17.819 6.537 1.00 34.00 H new ATOM 0 HB3 HIS A 89 -0.761 16.788 6.744 1.00 34.00 H new ATOM 0 HD1 HIS A 89 2.636 17.243 8.024 1.00 53.51 H new ATOM 0 HD2 HIS A 89 -0.013 14.009 7.373 1.00 24.31 H new ATOM 0 HE1 HIS A 89 3.440 15.315 9.507 1.00 44.15 H new ATOM 1170 N ILE A 90 0.308 14.061 4.157 1.00 25.02 N ATOM 1171 CA ILE A 90 -0.244 12.734 3.886 1.00 73.05 C ATOM 1172 C ILE A 90 0.279 11.791 4.956 1.00 64.13 C ATOM 1173 O ILE A 90 1.435 11.888 5.364 1.00 3.11 O ATOM 1174 CB ILE A 90 0.154 12.273 2.460 1.00 70.24 C ATOM 1175 CG1 ILE A 90 -0.695 13.033 1.415 1.00 3.53 C ATOM 1176 CG2 ILE A 90 0.112 10.741 2.260 1.00 74.01 C ATOM 1177 CD1 ILE A 90 -1.819 12.260 0.714 1.00 71.21 C ATOM 0 H ILE A 90 1.285 14.148 3.876 1.00 25.02 H new ATOM 0 HA ILE A 90 -1.333 12.746 3.919 1.00 73.05 H new ATOM 0 HB ILE A 90 1.204 12.528 2.316 1.00 70.24 H new ATOM 0 HG12 ILE A 90 -1.139 13.898 1.908 1.00 3.53 H new ATOM 0 HG13 ILE A 90 -0.021 13.415 0.648 1.00 3.53 H new ATOM 0 HG21 ILE A 90 0.403 10.499 1.238 1.00 74.01 H new ATOM 0 HG22 ILE A 90 0.802 10.264 2.956 1.00 74.01 H new ATOM 0 HG23 ILE A 90 -0.899 10.378 2.445 1.00 74.01 H new ATOM 0 HD11 ILE A 90 -2.328 12.918 0.010 1.00 71.21 H new ATOM 0 HD12 ILE A 90 -1.397 11.411 0.177 1.00 71.21 H new ATOM 0 HD13 ILE A 90 -2.532 11.902 1.456 1.00 71.21 H new ATOM 1188 N THR A 91 -0.541 10.807 5.310 1.00 64.02 N ATOM 1189 CA THR A 91 -0.186 9.694 6.167 1.00 34.12 C ATOM 1190 C THR A 91 -0.583 8.420 5.406 1.00 4.23 C ATOM 1191 O THR A 91 -1.608 8.385 4.715 1.00 21.03 O ATOM 1192 CB THR A 91 -0.886 9.895 7.521 1.00 70.43 C ATOM 1193 OG1 THR A 91 -0.589 11.164 8.064 1.00 70.23 O ATOM 1194 CG2 THR A 91 -0.537 8.830 8.557 1.00 73.35 C ATOM 0 H THR A 91 -1.509 10.767 4.992 1.00 64.02 H new ATOM 0 HA THR A 91 0.877 9.617 6.396 1.00 34.12 H new ATOM 0 HB THR A 91 -1.951 9.811 7.303 1.00 70.43 H new ATOM 0 HG1 THR A 91 -1.048 11.267 8.924 1.00 70.23 H new ATOM 0 HG21 THR A 91 -1.068 9.038 9.486 1.00 73.35 H new ATOM 0 HG22 THR A 91 -0.830 7.849 8.183 1.00 73.35 H new ATOM 0 HG23 THR A 91 0.537 8.841 8.743 1.00 73.35 H new ATOM 1202 N VAL A 92 0.271 7.400 5.460 1.00 12.53 N ATOM 1203 CA VAL A 92 0.140 6.121 4.772 1.00 11.31 C ATOM 1204 C VAL A 92 0.624 5.017 5.708 1.00 32.03 C ATOM 1205 O VAL A 92 1.810 4.934 6.027 1.00 42.13 O ATOM 1206 CB VAL A 92 0.887 6.099 3.416 1.00 24.42 C ATOM 1207 CG1 VAL A 92 -0.062 6.413 2.254 1.00 42.11 C ATOM 1208 CG2 VAL A 92 2.064 7.074 3.294 1.00 2.34 C ATOM 0 H VAL A 92 1.123 7.449 6.019 1.00 12.53 H new ATOM 0 HA VAL A 92 -0.909 5.956 4.525 1.00 11.31 H new ATOM 0 HB VAL A 92 1.283 5.085 3.371 1.00 24.42 H new ATOM 0 HG11 VAL A 92 0.492 6.390 1.316 1.00 42.11 H new ATOM 0 HG12 VAL A 92 -0.858 5.669 2.224 1.00 42.11 H new ATOM 0 HG13 VAL A 92 -0.495 7.403 2.395 1.00 42.11 H new ATOM 0 HG21 VAL A 92 2.516 6.977 2.307 1.00 2.34 H new ATOM 0 HG22 VAL A 92 1.707 8.095 3.431 1.00 2.34 H new ATOM 0 HG23 VAL A 92 2.807 6.844 4.057 1.00 2.34 H new ATOM 1218 N ILE A 93 -0.305 4.170 6.159 1.00 51.43 N ATOM 1219 CA ILE A 93 -0.052 3.115 7.136 1.00 63.41 C ATOM 1220 C ILE A 93 -0.620 1.818 6.533 1.00 11.55 C ATOM 1221 O ILE A 93 -1.536 1.862 5.699 1.00 62.01 O ATOM 1222 CB ILE A 93 -0.642 3.549 8.508 1.00 1.34 C ATOM 1223 CG1 ILE A 93 0.033 4.863 8.997 1.00 41.20 C ATOM 1224 CG2 ILE A 93 -0.477 2.457 9.577 1.00 5.23 C ATOM 1225 CD1 ILE A 93 -0.545 5.515 10.260 1.00 42.20 C ATOM 0 H ILE A 93 -1.275 4.202 5.846 1.00 51.43 H new ATOM 0 HA ILE A 93 1.003 2.933 7.341 1.00 63.41 H new ATOM 0 HB ILE A 93 -1.709 3.717 8.360 1.00 1.34 H new ATOM 0 HG12 ILE A 93 1.088 4.656 9.175 1.00 41.20 H new ATOM 0 HG13 ILE A 93 -0.016 5.591 8.187 1.00 41.20 H new ATOM 0 HG21 ILE A 93 -0.903 2.803 10.519 1.00 5.23 H new ATOM 0 HG22 ILE A 93 -0.993 1.552 9.256 1.00 5.23 H new ATOM 0 HG23 ILE A 93 0.582 2.241 9.716 1.00 5.23 H new ATOM 0 HD11 ILE A 93 0.015 6.421 10.491 1.00 42.20 H new ATOM 0 HD12 ILE A 93 -1.592 5.769 10.092 1.00 42.20 H new ATOM 0 HD13 ILE A 93 -0.470 4.819 11.096 1.00 42.20 H new ATOM 1236 N GLY A 94 -0.035 0.670 6.886 1.00 70.44 N ATOM 1237 CA GLY A 94 -0.389 -0.631 6.337 1.00 4.11 C ATOM 1238 C GLY A 94 -0.371 -1.707 7.413 1.00 45.20 C ATOM 1239 O GLY A 94 0.370 -1.615 8.400 1.00 31.03 O ATOM 0 H GLY A 94 0.714 0.624 7.577 1.00 70.44 H new ATOM 0 HA2 GLY A 94 -1.380 -0.581 5.886 1.00 4.11 H new ATOM 0 HA3 GLY A 94 0.309 -0.896 5.543 1.00 4.11 H new ATOM 1243 N TYR A 95 -1.193 -2.738 7.202 1.00 53.43 N ATOM 1244 CA TYR A 95 -1.578 -3.688 8.231 1.00 73.40 C ATOM 1245 C TYR A 95 -1.589 -5.113 7.695 1.00 21.24 C ATOM 1246 O TYR A 95 -1.883 -5.333 6.515 1.00 63.31 O ATOM 1247 CB TYR A 95 -2.991 -3.362 8.744 1.00 73.22 C ATOM 1248 CG TYR A 95 -3.149 -2.005 9.399 1.00 74.30 C ATOM 1249 CD1 TYR A 95 -3.433 -0.875 8.611 1.00 25.55 C ATOM 1250 CD2 TYR A 95 -3.023 -1.876 10.796 1.00 13.02 C ATOM 1251 CE1 TYR A 95 -3.574 0.385 9.215 1.00 43.11 C ATOM 1252 CE2 TYR A 95 -3.169 -0.617 11.404 1.00 44.44 C ATOM 1253 CZ TYR A 95 -3.447 0.521 10.613 1.00 44.10 C ATOM 1254 OH TYR A 95 -3.585 1.740 11.192 1.00 61.12 O ATOM 0 H TYR A 95 -1.613 -2.933 6.293 1.00 53.43 H new ATOM 0 HA TYR A 95 -0.847 -3.611 9.036 1.00 73.40 H new ATOM 0 HB2 TYR A 95 -3.686 -3.425 7.907 1.00 73.22 H new ATOM 0 HB3 TYR A 95 -3.284 -4.129 9.461 1.00 73.22 H new ATOM 0 HD1 TYR A 95 -3.543 -0.976 7.541 1.00 25.55 H new ATOM 0 HD2 TYR A 95 -2.814 -2.746 11.401 1.00 13.02 H new ATOM 0 HE1 TYR A 95 -3.780 1.253 8.607 1.00 43.11 H new ATOM 0 HE2 TYR A 95 -3.069 -0.519 12.475 1.00 44.44 H new ATOM 0 HH TYR A 95 -3.469 1.657 12.162 1.00 61.12 H new ATOM 1263 N ILE A 96 -1.315 -6.074 8.581 1.00 71.53 N ATOM 1264 CA ILE A 96 -1.346 -7.510 8.315 1.00 50.12 C ATOM 1265 C ILE A 96 -1.820 -8.138 9.623 1.00 22.15 C ATOM 1266 O ILE A 96 -1.408 -7.675 10.681 1.00 70.10 O ATOM 1267 CB ILE A 96 0.046 -8.048 7.900 1.00 5.35 C ATOM 1268 CG1 ILE A 96 0.613 -7.286 6.686 1.00 31.45 C ATOM 1269 CG2 ILE A 96 -0.033 -9.547 7.567 1.00 1.11 C ATOM 1270 CD1 ILE A 96 1.980 -7.788 6.224 1.00 50.44 C ATOM 0 H ILE A 96 -1.055 -5.861 9.544 1.00 71.53 H new ATOM 0 HA ILE A 96 -2.005 -7.753 7.481 1.00 50.12 H new ATOM 0 HB ILE A 96 0.715 -7.895 8.747 1.00 5.35 H new ATOM 0 HG12 ILE A 96 -0.091 -7.366 5.858 1.00 31.45 H new ATOM 0 HG13 ILE A 96 0.691 -6.228 6.937 1.00 31.45 H new ATOM 0 HG21 ILE A 96 0.954 -9.908 7.278 1.00 1.11 H new ATOM 0 HG22 ILE A 96 -0.378 -10.097 8.443 1.00 1.11 H new ATOM 0 HG23 ILE A 96 -0.731 -9.701 6.744 1.00 1.11 H new ATOM 0 HD11 ILE A 96 2.312 -7.203 5.367 1.00 50.44 H new ATOM 0 HD12 ILE A 96 2.700 -7.683 7.036 1.00 50.44 H new ATOM 0 HD13 ILE A 96 1.905 -8.838 5.940 1.00 50.44 H new ATOM 1281 N ASP A 97 -2.738 -9.100 9.560 1.00 61.31 N ATOM 1282 CA ASP A 97 -3.266 -9.883 10.681 1.00 5.35 C ATOM 1283 C ASP A 97 -3.605 -9.040 11.915 1.00 3.04 C ATOM 1284 O ASP A 97 -3.136 -9.326 13.016 1.00 22.32 O ATOM 1285 CB ASP A 97 -2.361 -11.070 11.032 1.00 25.24 C ATOM 1286 CG ASP A 97 -3.117 -12.089 11.882 1.00 63.34 C ATOM 1287 OD1 ASP A 97 -4.185 -12.560 11.432 1.00 22.53 O ATOM 1288 OD2 ASP A 97 -2.640 -12.488 12.970 1.00 30.54 O ATOM 0 H ASP A 97 -3.160 -9.372 8.672 1.00 61.31 H new ATOM 0 HA ASP A 97 -4.216 -10.287 10.330 1.00 5.35 H new ATOM 0 HB2 ASP A 97 -2.003 -11.544 10.118 1.00 25.24 H new ATOM 0 HB3 ASP A 97 -1.483 -10.717 11.573 1.00 25.24 H new ATOM 1292 N ASP A 98 -4.404 -7.984 11.740 1.00 2.14 N ATOM 1293 CA ASP A 98 -4.834 -7.084 12.825 1.00 22.11 C ATOM 1294 C ASP A 98 -3.647 -6.385 13.530 1.00 40.33 C ATOM 1295 O ASP A 98 -3.741 -5.966 14.686 1.00 54.10 O ATOM 1296 CB ASP A 98 -5.790 -7.851 13.767 1.00 71.13 C ATOM 1297 CG ASP A 98 -6.415 -6.997 14.868 1.00 63.41 C ATOM 1298 OD1 ASP A 98 -6.794 -5.835 14.620 1.00 23.42 O ATOM 1299 OD2 ASP A 98 -6.517 -7.503 16.015 1.00 55.41 O ATOM 0 H ASP A 98 -4.779 -7.722 10.828 1.00 2.14 H new ATOM 0 HA ASP A 98 -5.395 -6.249 12.406 1.00 22.11 H new ATOM 0 HB2 ASP A 98 -6.588 -8.294 13.171 1.00 71.13 H new ATOM 0 HB3 ASP A 98 -5.243 -8.673 14.229 1.00 71.13 H new ATOM 1303 N LYS A 99 -2.508 -6.225 12.843 1.00 62.23 N ATOM 1304 CA LYS A 99 -1.330 -5.498 13.318 1.00 10.05 C ATOM 1305 C LYS A 99 -0.896 -4.447 12.324 1.00 23.13 C ATOM 1306 O LYS A 99 -1.161 -4.552 11.131 1.00 21.45 O ATOM 1307 CB LYS A 99 -0.160 -6.446 13.560 1.00 32.43 C ATOM 1308 CG LYS A 99 -0.394 -7.471 14.669 1.00 34.25 C ATOM 1309 CD LYS A 99 -0.737 -6.919 16.060 1.00 72.20 C ATOM 1310 CE LYS A 99 0.430 -6.188 16.726 1.00 21.54 C ATOM 1311 NZ LYS A 99 1.196 -7.067 17.634 1.00 74.13 N ATOM 0 H LYS A 99 -2.380 -6.613 11.908 1.00 62.23 H new ATOM 0 HA LYS A 99 -1.614 -5.018 14.255 1.00 10.05 H new ATOM 0 HB2 LYS A 99 0.059 -6.976 12.633 1.00 32.43 H new ATOM 0 HB3 LYS A 99 0.723 -5.857 13.807 1.00 32.43 H new ATOM 0 HG2 LYS A 99 -1.203 -8.131 14.356 1.00 34.25 H new ATOM 0 HG3 LYS A 99 0.502 -8.085 14.759 1.00 34.25 H new ATOM 0 HD2 LYS A 99 -1.582 -6.236 15.974 1.00 72.20 H new ATOM 0 HD3 LYS A 99 -1.055 -7.741 16.701 1.00 72.20 H new ATOM 0 HE2 LYS A 99 1.095 -5.794 15.958 1.00 21.54 H new ATOM 0 HE3 LYS A 99 0.049 -5.334 17.286 1.00 21.54 H new ATOM 0 HZ1 LYS A 99 1.976 -6.529 18.062 1.00 74.13 H new ATOM 0 HZ2 LYS A 99 0.569 -7.423 18.383 1.00 74.13 H new ATOM 0 HZ3 LYS A 99 1.583 -7.869 17.096 1.00 74.13 H new ATOM 1321 N GLU A 100 -0.182 -3.451 12.836 1.00 45.14 N ATOM 1322 CA GLU A 100 0.376 -2.322 12.091 1.00 33.41 C ATOM 1323 C GLU A 100 1.835 -2.654 11.791 1.00 14.34 C ATOM 1324 O GLU A 100 2.617 -2.827 12.730 1.00 70.32 O ATOM 1325 CB GLU A 100 0.286 -1.043 12.946 1.00 53.34 C ATOM 1326 CG GLU A 100 0.798 0.210 12.208 1.00 22.43 C ATOM 1327 CD GLU A 100 1.395 1.245 13.168 1.00 74.40 C ATOM 1328 OE1 GLU A 100 0.665 2.104 13.713 1.00 24.13 O ATOM 1329 OE2 GLU A 100 2.631 1.193 13.381 1.00 33.11 O ATOM 0 H GLU A 100 0.036 -3.404 13.831 1.00 45.14 H new ATOM 0 HA GLU A 100 -0.175 -2.152 11.166 1.00 33.41 H new ATOM 0 HB2 GLU A 100 -0.750 -0.884 13.245 1.00 53.34 H new ATOM 0 HB3 GLU A 100 0.864 -1.182 13.860 1.00 53.34 H new ATOM 0 HG2 GLU A 100 1.552 -0.083 11.478 1.00 22.43 H new ATOM 0 HG3 GLU A 100 -0.023 0.663 11.653 1.00 22.43 H new ATOM 1334 N VAL A 101 2.229 -2.727 10.520 1.00 14.54 N ATOM 1335 CA VAL A 101 3.546 -3.251 10.127 1.00 4.13 C ATOM 1336 C VAL A 101 4.363 -2.279 9.265 1.00 73.10 C ATOM 1337 O VAL A 101 5.478 -2.611 8.858 1.00 25.22 O ATOM 1338 CB VAL A 101 3.376 -4.617 9.430 1.00 3.53 C ATOM 1339 CG1 VAL A 101 2.647 -5.644 10.315 1.00 52.03 C ATOM 1340 CG2 VAL A 101 2.636 -4.504 8.089 1.00 73.40 C ATOM 0 H VAL A 101 1.651 -2.428 9.734 1.00 14.54 H new ATOM 0 HA VAL A 101 4.126 -3.379 11.041 1.00 4.13 H new ATOM 0 HB VAL A 101 4.392 -4.967 9.246 1.00 3.53 H new ATOM 0 HG11 VAL A 101 2.554 -6.587 9.777 1.00 52.03 H new ATOM 0 HG12 VAL A 101 3.216 -5.804 11.231 1.00 52.03 H new ATOM 0 HG13 VAL A 101 1.654 -5.269 10.565 1.00 52.03 H new ATOM 0 HG21 VAL A 101 2.543 -5.493 7.640 1.00 73.40 H new ATOM 0 HG22 VAL A 101 1.643 -4.086 8.255 1.00 73.40 H new ATOM 0 HG23 VAL A 101 3.196 -3.852 7.418 1.00 73.40 H new ATOM 1350 N ASN A 102 3.808 -1.114 8.916 1.00 12.35 N ATOM 1351 CA ASN A 102 4.415 -0.183 7.969 1.00 72.14 C ATOM 1352 C ASN A 102 3.743 1.170 8.167 1.00 41.14 C ATOM 1353 O ASN A 102 2.513 1.204 8.277 1.00 3.54 O ATOM 1354 CB ASN A 102 4.125 -0.698 6.558 1.00 73.22 C ATOM 1355 CG ASN A 102 4.871 0.045 5.465 1.00 53.12 C ATOM 1356 OD1 ASN A 102 4.925 1.268 5.425 1.00 42.42 O ATOM 1357 ND2 ASN A 102 5.406 -0.677 4.496 1.00 71.24 N ATOM 0 H ASN A 102 2.915 -0.791 9.289 1.00 12.35 H new ATOM 0 HA ASN A 102 5.491 -0.094 8.117 1.00 72.14 H new ATOM 0 HB2 ASN A 102 4.385 -1.755 6.507 1.00 73.22 H new ATOM 0 HB3 ASN A 102 3.054 -0.624 6.368 1.00 73.22 H new ATOM 0 HD21 ASN A 102 5.866 -0.216 3.711 1.00 71.24 H new ATOM 0 HD22 ASN A 102 5.359 -1.695 4.533 1.00 71.24 H new ATOM 1363 N ARG A 103 4.508 2.261 8.244 1.00 3.35 N ATOM 1364 CA ARG A 103 3.970 3.588 8.540 1.00 31.43 C ATOM 1365 C ARG A 103 4.909 4.687 8.087 1.00 2.41 C ATOM 1366 O ARG A 103 6.023 4.804 8.601 1.00 61.02 O ATOM 1367 CB ARG A 103 3.679 3.736 10.051 1.00 74.02 C ATOM 1368 CG ARG A 103 4.704 3.075 10.999 1.00 61.21 C ATOM 1369 CD ARG A 103 4.771 3.695 12.404 1.00 74.33 C ATOM 1370 NE ARG A 103 3.443 3.973 12.980 1.00 3.21 N ATOM 1371 CZ ARG A 103 2.825 5.162 13.025 1.00 31.34 C ATOM 1372 NH1 ARG A 103 3.396 6.258 12.531 1.00 2.13 N ATOM 1373 NH2 ARG A 103 1.614 5.251 13.558 1.00 41.41 N ATOM 0 H ARG A 103 5.518 2.248 8.103 1.00 3.35 H new ATOM 0 HA ARG A 103 3.037 3.689 7.985 1.00 31.43 H new ATOM 0 HB2 ARG A 103 3.624 4.798 10.289 1.00 74.02 H new ATOM 0 HB3 ARG A 103 2.696 3.312 10.256 1.00 74.02 H new ATOM 0 HG2 ARG A 103 4.461 2.017 11.095 1.00 61.21 H new ATOM 0 HG3 ARG A 103 5.692 3.135 10.543 1.00 61.21 H new ATOM 0 HD2 ARG A 103 5.313 3.020 13.066 1.00 74.33 H new ATOM 0 HD3 ARG A 103 5.341 4.623 12.358 1.00 74.33 H new ATOM 0 HE ARG A 103 2.944 3.181 13.385 1.00 3.21 H new ATOM 0 HH11 ARG A 103 4.322 6.204 12.107 1.00 2.13 H new ATOM 0 HH12 ARG A 103 2.907 7.152 12.576 1.00 2.13 H new ATOM 0 HH21 ARG A 103 1.158 4.418 13.931 1.00 41.41 H new ATOM 0 HH22 ARG A 103 1.138 6.152 13.595 1.00 41.41 H new ATOM 1384 N LEU A 104 4.460 5.538 7.164 1.00 63.42 N ATOM 1385 CA LEU A 104 5.157 6.779 6.863 1.00 21.04 C ATOM 1386 C LEU A 104 4.170 7.919 6.664 1.00 61.45 C ATOM 1387 O LEU A 104 2.954 7.717 6.595 1.00 23.12 O ATOM 1388 CB LEU A 104 6.139 6.564 5.697 1.00 34.13 C ATOM 1389 CG LEU A 104 5.508 6.266 4.323 1.00 53.40 C ATOM 1390 CD1 LEU A 104 5.343 7.519 3.452 1.00 5.51 C ATOM 1391 CD2 LEU A 104 6.393 5.279 3.551 1.00 25.25 C ATOM 0 H LEU A 104 3.615 5.386 6.613 1.00 63.42 H new ATOM 0 HA LEU A 104 5.768 7.082 7.713 1.00 21.04 H new ATOM 0 HB2 LEU A 104 6.760 7.455 5.603 1.00 34.13 H new ATOM 0 HB3 LEU A 104 6.803 5.739 5.956 1.00 34.13 H new ATOM 0 HG LEU A 104 4.519 5.854 4.525 1.00 53.40 H new ATOM 0 HD11 LEU A 104 4.894 7.243 2.498 1.00 5.51 H new ATOM 0 HD12 LEU A 104 4.699 8.235 3.963 1.00 5.51 H new ATOM 0 HD13 LEU A 104 6.319 7.971 3.276 1.00 5.51 H new ATOM 0 HD21 LEU A 104 5.944 5.070 2.580 1.00 25.25 H new ATOM 0 HD22 LEU A 104 7.383 5.713 3.408 1.00 25.25 H new ATOM 0 HD23 LEU A 104 6.482 4.351 4.116 1.00 25.25 H new ATOM 1402 N GLU A 105 4.707 9.129 6.615 1.00 11.44 N ATOM 1403 CA GLU A 105 4.039 10.379 6.334 1.00 43.21 C ATOM 1404 C GLU A 105 4.836 11.122 5.272 1.00 50.42 C ATOM 1405 O GLU A 105 5.982 10.765 4.976 1.00 64.15 O ATOM 1406 CB GLU A 105 3.977 11.189 7.640 1.00 62.41 C ATOM 1407 CG GLU A 105 2.869 10.651 8.545 1.00 61.02 C ATOM 1408 CD GLU A 105 3.248 10.555 10.019 1.00 64.31 C ATOM 1409 OE1 GLU A 105 3.472 11.586 10.692 1.00 32.40 O ATOM 1410 OE2 GLU A 105 3.326 9.409 10.529 1.00 74.01 O ATOM 0 H GLU A 105 5.703 9.267 6.786 1.00 11.44 H new ATOM 0 HA GLU A 105 3.026 10.219 5.964 1.00 43.21 H new ATOM 0 HB2 GLU A 105 4.936 11.135 8.156 1.00 62.41 H new ATOM 0 HB3 GLU A 105 3.795 12.240 7.416 1.00 62.41 H new ATOM 0 HG2 GLU A 105 1.994 11.294 8.449 1.00 61.02 H new ATOM 0 HG3 GLU A 105 2.578 9.662 8.193 1.00 61.02 H new ATOM 1415 N LYS A 106 4.229 12.154 4.692 1.00 70.34 N ATOM 1416 CA LYS A 106 4.901 13.075 3.793 1.00 62.12 C ATOM 1417 C LYS A 106 4.256 14.445 3.922 1.00 3.14 C ATOM 1418 O LYS A 106 3.120 14.553 4.384 1.00 5.42 O ATOM 1419 CB LYS A 106 4.803 12.571 2.349 1.00 41.52 C ATOM 1420 CG LYS A 106 6.054 12.953 1.539 1.00 25.11 C ATOM 1421 CD LYS A 106 7.200 11.962 1.732 1.00 31.14 C ATOM 1422 CE LYS A 106 6.869 10.625 1.064 1.00 74.31 C ATOM 1423 NZ LYS A 106 8.020 9.709 1.115 1.00 62.23 N ATOM 0 H LYS A 106 3.244 12.373 4.838 1.00 70.34 H new ATOM 0 HA LYS A 106 5.956 13.143 4.057 1.00 62.12 H new ATOM 0 HB2 LYS A 106 4.682 11.488 2.347 1.00 41.52 H new ATOM 0 HB3 LYS A 106 3.917 12.992 1.874 1.00 41.52 H new ATOM 0 HG2 LYS A 106 5.796 13.004 0.481 1.00 25.11 H new ATOM 0 HG3 LYS A 106 6.385 13.948 1.835 1.00 25.11 H new ATOM 0 HD2 LYS A 106 8.117 12.370 1.308 1.00 31.14 H new ATOM 0 HD3 LYS A 106 7.381 11.809 2.796 1.00 31.14 H new ATOM 0 HE2 LYS A 106 6.014 10.168 1.562 1.00 74.31 H new ATOM 0 HE3 LYS A 106 6.581 10.795 0.027 1.00 74.31 H new ATOM 0 HZ1 LYS A 106 7.769 8.810 0.656 1.00 62.23 H new ATOM 0 HZ2 LYS A 106 8.827 10.138 0.619 1.00 62.23 H new ATOM 0 HZ3 LYS A 106 8.278 9.531 2.107 1.00 62.23 H new ATOM 1433 N GLU A 107 4.953 15.472 3.462 1.00 72.42 N ATOM 1434 CA GLU A 107 4.577 16.864 3.627 1.00 11.23 C ATOM 1435 C GLU A 107 5.085 17.585 2.389 1.00 63.44 C ATOM 1436 O GLU A 107 6.294 17.564 2.147 1.00 34.03 O ATOM 1437 CB GLU A 107 5.254 17.399 4.898 1.00 61.21 C ATOM 1438 CG GLU A 107 4.676 18.729 5.396 1.00 23.33 C ATOM 1439 CD GLU A 107 4.679 18.844 6.921 1.00 72.14 C ATOM 1440 OE1 GLU A 107 5.770 19.071 7.499 1.00 45.43 O ATOM 1441 OE2 GLU A 107 3.591 18.763 7.538 1.00 65.44 O ATOM 0 H GLU A 107 5.825 15.354 2.946 1.00 72.42 H new ATOM 0 HA GLU A 107 3.501 17.006 3.732 1.00 11.23 H new ATOM 0 HB2 GLU A 107 5.161 16.655 5.689 1.00 61.21 H new ATOM 0 HB3 GLU A 107 6.319 17.527 4.705 1.00 61.21 H new ATOM 0 HG2 GLU A 107 5.253 19.551 4.973 1.00 23.33 H new ATOM 0 HG3 GLU A 107 3.655 18.835 5.030 1.00 23.33 H new ATOM 1446 N TYR A 108 4.202 18.182 1.589 1.00 43.22 N ATOM 1447 CA TYR A 108 4.598 18.856 0.354 1.00 30.13 C ATOM 1448 C TYR A 108 4.228 20.331 0.463 1.00 70.11 C ATOM 1449 O TYR A 108 3.258 20.656 1.154 1.00 44.21 O ATOM 1450 CB TYR A 108 3.902 18.235 -0.870 1.00 72.43 C ATOM 1451 CG TYR A 108 3.954 16.720 -0.971 1.00 22.20 C ATOM 1452 CD1 TYR A 108 5.036 16.082 -1.600 1.00 70.42 C ATOM 1453 CD2 TYR A 108 2.899 15.951 -0.445 1.00 12.54 C ATOM 1454 CE1 TYR A 108 5.066 14.678 -1.705 1.00 50.13 C ATOM 1455 CE2 TYR A 108 2.928 14.549 -0.530 1.00 2.53 C ATOM 1456 CZ TYR A 108 4.015 13.904 -1.165 1.00 54.11 C ATOM 1457 OH TYR A 108 4.056 12.544 -1.251 1.00 72.02 O ATOM 0 H TYR A 108 3.200 18.212 1.777 1.00 43.22 H new ATOM 0 HA TYR A 108 5.674 18.742 0.219 1.00 30.13 H new ATOM 0 HB2 TYR A 108 2.856 18.543 -0.863 1.00 72.43 H new ATOM 0 HB3 TYR A 108 4.352 18.655 -1.770 1.00 72.43 H new ATOM 0 HD1 TYR A 108 5.847 16.670 -2.004 1.00 70.42 H new ATOM 0 HD2 TYR A 108 2.061 16.442 0.027 1.00 12.54 H new ATOM 0 HE1 TYR A 108 5.894 14.192 -2.199 1.00 50.13 H new ATOM 0 HE2 TYR A 108 2.122 13.965 -0.111 1.00 2.53 H new ATOM 0 HH TYR A 108 3.257 12.165 -0.829 1.00 72.02 H new ATOM 1466 N ILE A 109 4.948 21.205 -0.244 1.00 61.33 N ATOM 1467 CA ILE A 109 4.672 22.634 -0.350 1.00 1.14 C ATOM 1468 C ILE A 109 4.895 23.037 -1.823 1.00 52.42 C ATOM 1469 O ILE A 109 5.645 22.368 -2.546 1.00 53.52 O ATOM 1470 CB ILE A 109 5.539 23.418 0.684 1.00 1.32 C ATOM 1471 CG1 ILE A 109 5.161 23.060 2.144 1.00 65.34 C ATOM 1472 CG2 ILE A 109 5.480 24.946 0.500 1.00 25.00 C ATOM 1473 CD1 ILE A 109 6.028 23.748 3.206 1.00 30.20 C ATOM 0 H ILE A 109 5.770 20.923 -0.778 1.00 61.33 H new ATOM 0 HA ILE A 109 3.642 22.884 -0.096 1.00 1.14 H new ATOM 0 HB ILE A 109 6.564 23.102 0.488 1.00 1.32 H new ATOM 0 HG12 ILE A 109 4.118 23.328 2.313 1.00 65.34 H new ATOM 0 HG13 ILE A 109 5.237 21.980 2.273 1.00 65.34 H new ATOM 0 HG21 ILE A 109 6.105 25.427 1.252 1.00 25.00 H new ATOM 0 HG22 ILE A 109 5.842 25.207 -0.494 1.00 25.00 H new ATOM 0 HG23 ILE A 109 4.451 25.286 0.612 1.00 25.00 H new ATOM 0 HD11 ILE A 109 5.697 23.443 4.199 1.00 30.20 H new ATOM 0 HD12 ILE A 109 7.070 23.461 3.067 1.00 30.20 H new ATOM 0 HD13 ILE A 109 5.933 24.829 3.108 1.00 30.20 H new ATOM 1484 N THR A 110 4.229 24.095 -2.292 1.00 34.43 N ATOM 1485 CA THR A 110 4.434 24.671 -3.621 1.00 50.51 C ATOM 1486 C THR A 110 5.339 25.902 -3.530 1.00 12.42 C ATOM 1487 O THR A 110 5.304 26.641 -2.542 1.00 12.22 O ATOM 1488 CB THR A 110 3.083 25.042 -4.261 1.00 24.01 C ATOM 1489 OG1 THR A 110 2.264 25.703 -3.324 1.00 62.03 O ATOM 1490 CG2 THR A 110 2.329 23.809 -4.775 1.00 53.21 C ATOM 0 H THR A 110 3.519 24.584 -1.747 1.00 34.43 H new ATOM 0 HA THR A 110 4.920 23.927 -4.252 1.00 50.51 H new ATOM 0 HB THR A 110 3.305 25.694 -5.106 1.00 24.01 H new ATOM 0 HG1 THR A 110 1.411 25.938 -3.744 1.00 62.03 H new ATOM 0 HG21 THR A 110 1.383 24.120 -5.218 1.00 53.21 H new ATOM 0 HG22 THR A 110 2.932 23.301 -5.527 1.00 53.21 H new ATOM 0 HG23 THR A 110 2.136 23.129 -3.945 1.00 53.21 H new ATOM 1498 N ASP A 111 6.096 26.194 -4.585 1.00 33.43 N ATOM 1499 CA ASP A 111 6.862 27.431 -4.779 1.00 10.24 C ATOM 1500 C ASP A 111 6.588 28.034 -6.167 1.00 14.53 C ATOM 1501 O ASP A 111 7.338 28.892 -6.630 1.00 63.35 O ATOM 1502 CB ASP A 111 8.365 27.191 -4.539 1.00 4.53 C ATOM 1503 CG ASP A 111 9.088 28.501 -4.200 1.00 25.13 C ATOM 1504 OD1 ASP A 111 8.705 29.151 -3.199 1.00 24.20 O ATOM 1505 OD2 ASP A 111 10.043 28.898 -4.900 1.00 65.35 O ATOM 0 H ASP A 111 6.199 25.547 -5.367 1.00 33.43 H new ATOM 0 HA ASP A 111 6.531 28.160 -4.040 1.00 10.24 H new ATOM 0 HB2 ASP A 111 8.497 26.478 -3.725 1.00 4.53 H new ATOM 0 HB3 ASP A 111 8.811 26.745 -5.428 1.00 4.53 H new ATOM 1509 N GLY A 112 5.527 27.587 -6.853 1.00 13.30 N ATOM 1510 CA GLY A 112 5.045 28.130 -8.121 1.00 61.41 C ATOM 1511 C GLY A 112 5.287 27.161 -9.277 1.00 52.44 C ATOM 1512 O GLY A 112 4.564 27.190 -10.276 1.00 11.32 O ATOM 0 H GLY A 112 4.961 26.805 -6.522 1.00 13.30 H new ATOM 0 HA2 GLY A 112 3.979 28.345 -8.043 1.00 61.41 H new ATOM 0 HA3 GLY A 112 5.547 29.075 -8.327 1.00 61.41 H new ATOM 1516 N ASN A 113 6.276 26.274 -9.132 1.00 73.32 N ATOM 1517 CA ASN A 113 6.598 25.216 -10.088 1.00 72.31 C ATOM 1518 C ASN A 113 5.549 24.110 -9.991 1.00 41.51 C ATOM 1519 O ASN A 113 4.851 23.984 -8.982 1.00 25.01 O ATOM 1520 CB ASN A 113 8.009 24.620 -9.863 1.00 23.31 C ATOM 1521 CG ASN A 113 8.842 25.306 -8.806 1.00 24.34 C ATOM 1522 OD1 ASN A 113 8.826 24.943 -7.641 1.00 23.14 O ATOM 1523 ND2 ASN A 113 9.551 26.342 -9.190 1.00 45.54 N ATOM 0 H ASN A 113 6.893 26.275 -8.320 1.00 73.32 H new ATOM 0 HA ASN A 113 6.593 25.660 -11.083 1.00 72.31 H new ATOM 0 HB2 ASN A 113 7.902 23.570 -9.592 1.00 23.31 H new ATOM 0 HB3 ASN A 113 8.553 24.652 -10.807 1.00 23.31 H new ATOM 0 HD21 ASN A 113 10.104 26.862 -8.509 1.00 45.54 H new ATOM 0 HD22 ASN A 113 9.549 26.627 -10.169 1.00 45.54 H new ATOM 1529 N THR A 114 5.478 23.256 -11.000 1.00 64.02 N ATOM 1530 CA THR A 114 4.579 22.118 -11.017 1.00 34.40 C ATOM 1531 C THR A 114 5.019 21.082 -9.973 1.00 30.02 C ATOM 1532 O THR A 114 6.027 20.396 -10.156 1.00 2.24 O ATOM 1533 CB THR A 114 4.498 21.556 -12.453 1.00 4.42 C ATOM 1534 OG1 THR A 114 5.535 22.020 -13.310 1.00 21.00 O ATOM 1535 CG2 THR A 114 3.199 22.039 -13.100 1.00 70.13 C ATOM 0 H THR A 114 6.051 23.337 -11.840 1.00 64.02 H new ATOM 0 HA THR A 114 3.570 22.418 -10.736 1.00 34.40 H new ATOM 0 HB THR A 114 4.571 20.473 -12.350 1.00 4.42 H new ATOM 0 HG1 THR A 114 5.425 21.625 -14.200 1.00 21.00 H new ATOM 0 HG21 THR A 114 3.131 21.648 -14.115 1.00 70.13 H new ATOM 0 HG22 THR A 114 2.349 21.685 -12.517 1.00 70.13 H new ATOM 0 HG23 THR A 114 3.190 23.129 -13.129 1.00 70.13 H new ATOM 1543 N LEU A 115 4.269 20.980 -8.866 1.00 72.05 N ATOM 1544 CA LEU A 115 4.474 19.967 -7.834 1.00 52.43 C ATOM 1545 C LEU A 115 4.295 18.603 -8.460 1.00 21.24 C ATOM 1546 O LEU A 115 3.293 18.371 -9.131 1.00 50.52 O ATOM 1547 CB LEU A 115 3.463 20.133 -6.680 1.00 22.02 C ATOM 1548 CG LEU A 115 3.222 18.854 -5.839 1.00 2.33 C ATOM 1549 CD1 LEU A 115 4.465 18.458 -5.089 1.00 63.04 C ATOM 1550 CD2 LEU A 115 2.154 18.943 -4.753 1.00 71.25 C ATOM 0 H LEU A 115 3.493 21.611 -8.665 1.00 72.05 H new ATOM 0 HA LEU A 115 5.478 20.078 -7.424 1.00 52.43 H new ATOM 0 HB2 LEU A 115 3.815 20.925 -6.019 1.00 22.02 H new ATOM 0 HB3 LEU A 115 2.511 20.463 -7.095 1.00 22.02 H new ATOM 0 HG LEU A 115 2.900 18.145 -6.602 1.00 2.33 H new ATOM 0 HD11 LEU A 115 4.268 17.558 -4.507 1.00 63.04 H new ATOM 0 HD12 LEU A 115 5.271 18.263 -5.797 1.00 63.04 H new ATOM 0 HD13 LEU A 115 4.758 19.266 -4.419 1.00 63.04 H new ATOM 0 HD21 LEU A 115 2.080 17.986 -4.236 1.00 71.25 H new ATOM 0 HD22 LEU A 115 2.425 19.721 -4.039 1.00 71.25 H new ATOM 0 HD23 LEU A 115 1.193 19.185 -5.207 1.00 71.25 H new ATOM 1561 N ILE A 116 5.187 17.681 -8.126 1.00 43.14 N ATOM 1562 CA ILE A 116 5.137 16.278 -8.471 1.00 12.33 C ATOM 1563 C ILE A 116 5.905 15.575 -7.358 1.00 63.35 C ATOM 1564 O ILE A 116 6.860 16.137 -6.819 1.00 30.31 O ATOM 1565 CB ILE A 116 5.739 16.016 -9.874 1.00 25.13 C ATOM 1566 CG1 ILE A 116 4.792 16.576 -10.953 1.00 52.44 C ATOM 1567 CG2 ILE A 116 5.984 14.514 -10.073 1.00 70.04 C ATOM 1568 CD1 ILE A 116 4.993 16.075 -12.388 1.00 65.22 C ATOM 0 H ILE A 116 6.013 17.913 -7.574 1.00 43.14 H new ATOM 0 HA ILE A 116 4.116 15.903 -8.541 1.00 12.33 H new ATOM 0 HB ILE A 116 6.700 16.524 -9.960 1.00 25.13 H new ATOM 0 HG12 ILE A 116 3.768 16.348 -10.656 1.00 52.44 H new ATOM 0 HG13 ILE A 116 4.889 17.662 -10.957 1.00 52.44 H new ATOM 0 HG21 ILE A 116 6.407 14.342 -11.063 1.00 70.04 H new ATOM 0 HG22 ILE A 116 6.679 14.155 -9.314 1.00 70.04 H new ATOM 0 HG23 ILE A 116 5.040 13.976 -9.984 1.00 70.04 H new ATOM 0 HD11 ILE A 116 4.262 16.548 -13.044 1.00 65.22 H new ATOM 0 HD12 ILE A 116 5.999 16.327 -12.724 1.00 65.22 H new ATOM 0 HD13 ILE A 116 4.861 14.993 -12.418 1.00 65.22 H new ATOM 1579 N GLU A 117 5.490 14.356 -7.036 1.00 50.13 N ATOM 1580 CA GLU A 117 6.266 13.395 -6.259 1.00 4.21 C ATOM 1581 C GLU A 117 5.740 11.979 -6.525 1.00 45.45 C ATOM 1582 O GLU A 117 4.736 11.814 -7.221 1.00 4.22 O ATOM 1583 CB GLU A 117 6.265 13.780 -4.769 1.00 71.14 C ATOM 1584 CG GLU A 117 7.676 14.213 -4.328 1.00 62.15 C ATOM 1585 CD GLU A 117 8.597 13.014 -4.052 1.00 52.12 C ATOM 1586 OE1 GLU A 117 8.816 12.195 -4.974 1.00 50.41 O ATOM 1587 OE2 GLU A 117 9.178 12.915 -2.941 1.00 63.32 O ATOM 0 H GLU A 117 4.577 13.997 -7.316 1.00 50.13 H new ATOM 0 HA GLU A 117 7.310 13.412 -6.572 1.00 4.21 H new ATOM 0 HB2 GLU A 117 5.558 14.591 -4.596 1.00 71.14 H new ATOM 0 HB3 GLU A 117 5.932 12.934 -4.168 1.00 71.14 H new ATOM 0 HG2 GLU A 117 8.120 14.838 -5.103 1.00 62.15 H new ATOM 0 HG3 GLU A 117 7.601 14.825 -3.429 1.00 62.15 H new ATOM 1592 N THR A 118 6.372 10.952 -5.956 1.00 63.35 N ATOM 1593 CA THR A 118 5.809 9.608 -5.824 1.00 31.30 C ATOM 1594 C THR A 118 5.990 9.142 -4.390 1.00 30.01 C ATOM 1595 O THR A 118 6.798 9.687 -3.636 1.00 74.11 O ATOM 1596 CB THR A 118 6.431 8.626 -6.830 1.00 53.23 C ATOM 1597 OG1 THR A 118 7.843 8.722 -6.869 1.00 33.41 O ATOM 1598 CG2 THR A 118 5.899 8.837 -8.244 1.00 45.52 C ATOM 0 H THR A 118 7.311 11.033 -5.565 1.00 63.35 H new ATOM 0 HA THR A 118 4.745 9.640 -6.058 1.00 31.30 H new ATOM 0 HB THR A 118 6.145 7.635 -6.478 1.00 53.23 H new ATOM 0 HG1 THR A 118 8.197 8.080 -7.519 1.00 33.41 H new ATOM 0 HG21 THR A 118 6.367 8.121 -8.919 1.00 45.52 H new ATOM 0 HG22 THR A 118 4.819 8.691 -8.252 1.00 45.52 H new ATOM 0 HG23 THR A 118 6.131 9.850 -8.572 1.00 45.52 H new ATOM 1606 N PHE A 119 5.202 8.142 -4.017 1.00 44.35 N ATOM 1607 CA PHE A 119 5.260 7.498 -2.716 1.00 21.34 C ATOM 1608 C PHE A 119 4.848 6.039 -2.874 1.00 61.13 C ATOM 1609 O PHE A 119 4.293 5.661 -3.918 1.00 43.55 O ATOM 1610 CB PHE A 119 4.367 8.261 -1.724 1.00 3.24 C ATOM 1611 CG PHE A 119 2.895 8.326 -2.093 1.00 62.14 C ATOM 1612 CD1 PHE A 119 2.419 9.230 -3.068 1.00 70.21 C ATOM 1613 CD2 PHE A 119 1.985 7.498 -1.414 1.00 71.25 C ATOM 1614 CE1 PHE A 119 1.040 9.319 -3.337 1.00 73.03 C ATOM 1615 CE2 PHE A 119 0.613 7.580 -1.692 1.00 30.41 C ATOM 1616 CZ PHE A 119 0.141 8.503 -2.636 1.00 21.11 C ATOM 0 H PHE A 119 4.487 7.748 -4.629 1.00 44.35 H new ATOM 0 HA PHE A 119 6.273 7.518 -2.314 1.00 21.34 H new ATOM 0 HB2 PHE A 119 4.459 7.793 -0.744 1.00 3.24 H new ATOM 0 HB3 PHE A 119 4.746 9.279 -1.628 1.00 3.24 H new ATOM 0 HD1 PHE A 119 3.115 9.855 -3.609 1.00 70.21 H new ATOM 0 HD2 PHE A 119 2.344 6.796 -0.676 1.00 71.25 H new ATOM 0 HE1 PHE A 119 0.676 10.013 -4.080 1.00 73.03 H new ATOM 0 HE2 PHE A 119 -0.081 6.931 -1.178 1.00 30.41 H new ATOM 0 HZ PHE A 119 -0.919 8.586 -2.824 1.00 21.11 H new ATOM 1625 N SER A 120 5.115 5.206 -1.867 1.00 53.53 N ATOM 1626 CA SER A 120 4.764 3.796 -1.919 1.00 33.33 C ATOM 1627 C SER A 120 4.851 3.150 -0.542 1.00 32.14 C ATOM 1628 O SER A 120 5.764 3.421 0.238 1.00 1.54 O ATOM 1629 CB SER A 120 5.659 3.062 -2.938 1.00 25.25 C ATOM 1630 OG SER A 120 7.001 3.522 -2.933 1.00 4.23 O ATOM 0 H SER A 120 5.576 5.491 -1.003 1.00 53.53 H new ATOM 0 HA SER A 120 3.728 3.714 -2.248 1.00 33.33 H new ATOM 0 HB2 SER A 120 5.647 1.994 -2.720 1.00 25.25 H new ATOM 0 HB3 SER A 120 5.241 3.189 -3.937 1.00 25.25 H new ATOM 0 HG SER A 120 7.521 3.021 -3.596 1.00 4.23 H new ATOM 1635 N VAL A 121 3.905 2.253 -0.286 1.00 4.11 N ATOM 1636 CA VAL A 121 3.741 1.443 0.904 1.00 34.42 C ATOM 1637 C VAL A 121 3.217 0.100 0.394 1.00 1.15 C ATOM 1638 O VAL A 121 2.098 0.025 -0.123 1.00 52.51 O ATOM 1639 CB VAL A 121 2.813 2.189 1.896 1.00 3.12 C ATOM 1640 CG1 VAL A 121 2.250 1.317 3.014 1.00 63.20 C ATOM 1641 CG2 VAL A 121 3.591 3.322 2.584 1.00 24.13 C ATOM 0 H VAL A 121 3.172 2.062 -0.969 1.00 4.11 H new ATOM 0 HA VAL A 121 4.654 1.264 1.472 1.00 34.42 H new ATOM 0 HB VAL A 121 1.983 2.545 1.286 1.00 3.12 H new ATOM 0 HG11 VAL A 121 1.612 1.920 3.660 1.00 63.20 H new ATOM 0 HG12 VAL A 121 1.665 0.505 2.582 1.00 63.20 H new ATOM 0 HG13 VAL A 121 3.070 0.901 3.599 1.00 63.20 H new ATOM 0 HG21 VAL A 121 2.934 3.844 3.280 1.00 24.13 H new ATOM 0 HG22 VAL A 121 4.438 2.904 3.128 1.00 24.13 H new ATOM 0 HG23 VAL A 121 3.953 4.023 1.832 1.00 24.13 H new ATOM 1651 N SER A 122 4.054 -0.933 0.464 1.00 64.34 N ATOM 1652 CA SER A 122 3.678 -2.328 0.239 1.00 11.44 C ATOM 1653 C SER A 122 3.533 -2.978 1.613 1.00 22.32 C ATOM 1654 O SER A 122 4.300 -2.651 2.519 1.00 2.55 O ATOM 1655 CB SER A 122 4.752 -3.074 -0.577 1.00 70.11 C ATOM 1656 OG SER A 122 5.771 -2.230 -1.097 1.00 14.41 O ATOM 0 H SER A 122 5.043 -0.819 0.686 1.00 64.34 H new ATOM 0 HA SER A 122 2.749 -2.376 -0.328 1.00 11.44 H new ATOM 0 HB2 SER A 122 5.211 -3.834 0.055 1.00 70.11 H new ATOM 0 HB3 SER A 122 4.269 -3.595 -1.403 1.00 70.11 H new ATOM 0 HG SER A 122 6.417 -2.769 -1.600 1.00 14.41 H new ATOM 1661 N THR A 123 2.601 -3.908 1.805 1.00 24.15 N ATOM 1662 CA THR A 123 2.499 -4.659 3.056 1.00 13.31 C ATOM 1663 C THR A 123 3.318 -5.961 2.929 1.00 22.21 C ATOM 1664 O THR A 123 2.789 -7.041 3.200 1.00 22.42 O ATOM 1665 CB THR A 123 1.017 -4.949 3.385 1.00 32.01 C ATOM 1666 OG1 THR A 123 0.509 -5.793 2.377 1.00 25.21 O ATOM 1667 CG2 THR A 123 0.081 -3.743 3.486 1.00 54.54 C ATOM 0 H THR A 123 1.902 -4.161 1.107 1.00 24.15 H new ATOM 0 HA THR A 123 2.906 -4.071 3.879 1.00 13.31 H new ATOM 0 HB THR A 123 1.032 -5.386 4.384 1.00 32.01 H new ATOM 0 HG1 THR A 123 0.160 -6.614 2.783 1.00 25.21 H new ATOM 0 HG21 THR A 123 -0.927 -4.084 3.721 1.00 54.54 H new ATOM 0 HG22 THR A 123 0.431 -3.076 4.273 1.00 54.54 H new ATOM 0 HG23 THR A 123 0.071 -3.209 2.536 1.00 54.54 H new ATOM 1675 N LYS A 124 4.534 -5.905 2.379 1.00 65.44 N ATOM 1676 CA LYS A 124 5.487 -7.009 2.352 1.00 14.11 C ATOM 1677 C LYS A 124 6.813 -6.473 1.842 1.00 21.25 C ATOM 1678 O LYS A 124 6.835 -5.596 0.974 1.00 73.01 O ATOM 1679 CB LYS A 124 5.049 -8.186 1.460 1.00 23.41 C ATOM 1680 CG LYS A 124 5.392 -9.514 2.146 1.00 5.12 C ATOM 1681 CD LYS A 124 5.499 -10.702 1.187 1.00 41.23 C ATOM 1682 CE LYS A 124 5.341 -12.028 1.946 1.00 43.54 C ATOM 1683 NZ LYS A 124 6.366 -12.248 2.996 1.00 74.32 N ATOM 0 H LYS A 124 4.890 -5.063 1.927 1.00 65.44 H new ATOM 0 HA LYS A 124 5.560 -7.400 3.367 1.00 14.11 H new ATOM 0 HB2 LYS A 124 3.977 -8.131 1.270 1.00 23.41 H new ATOM 0 HB3 LYS A 124 5.548 -8.126 0.493 1.00 23.41 H new ATOM 0 HG2 LYS A 124 6.337 -9.403 2.677 1.00 5.12 H new ATOM 0 HG3 LYS A 124 4.630 -9.732 2.894 1.00 5.12 H new ATOM 0 HD2 LYS A 124 4.732 -10.624 0.417 1.00 41.23 H new ATOM 0 HD3 LYS A 124 6.463 -10.680 0.679 1.00 41.23 H new ATOM 0 HE2 LYS A 124 4.353 -12.056 2.406 1.00 43.54 H new ATOM 0 HE3 LYS A 124 5.384 -12.851 1.232 1.00 43.54 H new ATOM 0 HZ1 LYS A 124 6.214 -13.176 3.440 1.00 74.32 H new ATOM 0 HZ2 LYS A 124 7.313 -12.220 2.568 1.00 74.32 H new ATOM 0 HZ3 LYS A 124 6.290 -11.503 3.717 1.00 74.32 H new ATOM 1693 N GLU A 125 7.900 -7.023 2.347 1.00 73.22 N ATOM 1694 CA GLU A 125 9.202 -7.011 1.702 1.00 11.33 C ATOM 1695 C GLU A 125 9.388 -8.389 1.071 1.00 53.24 C ATOM 1696 O GLU A 125 8.995 -9.404 1.655 1.00 61.23 O ATOM 1697 CB GLU A 125 10.277 -6.713 2.751 1.00 53.43 C ATOM 1698 CG GLU A 125 10.212 -5.229 3.131 1.00 11.31 C ATOM 1699 CD GLU A 125 11.069 -4.929 4.353 1.00 64.34 C ATOM 1700 OE1 GLU A 125 12.318 -4.967 4.248 1.00 3.41 O ATOM 1701 OE2 GLU A 125 10.486 -4.720 5.440 1.00 34.33 O ATOM 0 H GLU A 125 7.903 -7.506 3.245 1.00 73.22 H new ATOM 0 HA GLU A 125 9.280 -6.242 0.933 1.00 11.33 H new ATOM 0 HB2 GLU A 125 10.123 -7.334 3.634 1.00 53.43 H new ATOM 0 HB3 GLU A 125 11.264 -6.957 2.358 1.00 53.43 H new ATOM 0 HG2 GLU A 125 10.549 -4.622 2.291 1.00 11.31 H new ATOM 0 HG3 GLU A 125 9.178 -4.949 3.332 1.00 11.31 H new ATOM 1706 N ILE A 126 9.937 -8.417 -0.138 1.00 2.33 N ATOM 1707 CA ILE A 126 10.156 -9.591 -0.955 1.00 50.22 C ATOM 1708 C ILE A 126 11.657 -9.763 -1.072 1.00 31.15 C ATOM 1709 O ILE A 126 12.365 -8.748 -1.236 1.00 30.24 O ATOM 1710 CB ILE A 126 9.490 -9.405 -2.335 1.00 25.14 C ATOM 1711 CG1 ILE A 126 8.041 -8.865 -2.311 1.00 2.32 C ATOM 1712 CG2 ILE A 126 9.469 -10.757 -3.073 1.00 31.14 C ATOM 1713 CD1 ILE A 126 7.822 -7.389 -1.949 1.00 31.13 C ATOM 0 H ILE A 126 10.259 -7.565 -0.596 1.00 2.33 H new ATOM 0 HA ILE A 126 9.712 -10.482 -0.512 1.00 50.22 H new ATOM 0 HB ILE A 126 10.095 -8.649 -2.836 1.00 25.14 H new ATOM 0 HG12 ILE A 126 7.606 -9.034 -3.296 1.00 2.32 H new ATOM 0 HG13 ILE A 126 7.472 -9.469 -1.604 1.00 2.32 H new ATOM 0 HG21 ILE A 126 9.000 -10.632 -4.049 1.00 31.14 H new ATOM 0 HG22 ILE A 126 10.490 -11.115 -3.205 1.00 31.14 H new ATOM 0 HG23 ILE A 126 8.903 -11.482 -2.488 1.00 31.14 H new ATOM 0 HD11 ILE A 126 6.756 -7.162 -1.975 1.00 31.13 H new ATOM 0 HD12 ILE A 126 8.209 -7.199 -0.948 1.00 31.13 H new ATOM 0 HD13 ILE A 126 8.345 -6.757 -2.667 1.00 31.13 H new TER 1724 ILE A 126