USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 652 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 18 TYR OH : rot 180:sc= -0.481 USER MOD Set 1.2: A 60 THR OG1 : rot -144:sc= 0.147 USER MOD Single : A 1 SER N :NH3+ -125:sc= -0.297 (180deg=-1.9!) USER MOD Single : A 1 SER OG : rot 57:sc= 0.379 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.8 K(o=-2.8,f=-4.6!) USER MOD Single : A 15 LYS NZ :NH3+ 162:sc= 0.546 (180deg=0.164) USER MOD Single : A 16 LYS NZ :NH3+ -121:sc= -2.63! (180deg=-5.39!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.11 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.332 USER MOD Single : A 36 SER OG : rot 180:sc= 0.036 USER MOD Single : A 37 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.15) USER MOD Single : A 39 THR OG1 : rot -160:sc= -0.717 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -2.84! C(o=-2.8!,f=-4.5!) USER MOD Single : A 44 SER OG : rot 178:sc= 0.827 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 165:sc= -0.983 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0506 USER MOD Single : A 66 THR OG1 : rot 42:sc= 0.568 USER MOD Single : A 68 HIS : no HD1:sc= -0.0273 X(o=-0.027,f=-0.048) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.227 K(o=-0.23,f=-1.1) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc=-0.00115 USER MOD Single : A 83 LYS NZ :NH3+ -155:sc= -0.229 (180deg=-1.15) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.188 1.907 -1.787 1.00 52.11 N ATOM 2 CA SER A 1 3.164 1.371 -2.676 1.00 72.02 C ATOM 3 C SER A 1 2.581 2.471 -3.558 1.00 74.55 C ATOM 4 O SER A 1 1.422 2.864 -3.420 1.00 42.00 O ATOM 5 CB SER A 1 2.049 0.708 -1.864 1.00 44.30 C ATOM 6 OG SER A 1 1.462 1.627 -0.960 1.00 12.44 O ATOM 0 H1 SER A 1 5.072 1.374 -1.914 1.00 52.11 H new ATOM 0 H2 SER A 1 4.353 2.909 -2.012 1.00 52.11 H new ATOM 0 H3 SER A 1 3.871 1.821 -0.800 1.00 52.11 H new ATOM 0 HA SER A 1 3.630 0.623 -3.318 1.00 72.02 H new ATOM 0 HB2 SER A 1 1.286 0.318 -2.538 1.00 44.30 H new ATOM 0 HB3 SER A 1 2.452 -0.142 -1.313 1.00 44.30 H new ATOM 0 HG SER A 1 1.119 2.400 -1.456 1.00 12.44 H new ATOM 12 N PRO A 2 3.402 2.980 -4.489 1.00 30.53 N ATOM 13 CA PRO A 2 2.991 4.040 -5.413 1.00 14.30 C ATOM 14 C PRO A 2 1.972 3.553 -6.438 1.00 41.30 C ATOM 15 O PRO A 2 2.077 2.440 -6.953 1.00 23.23 O ATOM 16 CB PRO A 2 4.298 4.435 -6.104 1.00 50.41 C ATOM 17 CG PRO A 2 5.158 3.223 -6.010 1.00 31.54 C ATOM 18 CD PRO A 2 4.795 2.558 -4.710 1.00 45.22 C ATOM 0 HA PRO A 2 2.501 4.864 -4.895 1.00 14.30 H new ATOM 0 HB2 PRO A 2 4.127 4.719 -7.142 1.00 50.41 H new ATOM 0 HB3 PRO A 2 4.763 5.289 -5.612 1.00 50.41 H new ATOM 0 HG2 PRO A 2 4.983 2.554 -6.853 1.00 31.54 H new ATOM 0 HG3 PRO A 2 6.214 3.491 -6.030 1.00 31.54 H new ATOM 0 HD2 PRO A 2 4.881 1.473 -4.776 1.00 45.22 H new ATOM 0 HD3 PRO A 2 5.446 2.881 -3.898 1.00 45.22 H new ATOM 26 N LYS A 3 0.986 4.394 -6.731 1.00 42.32 N ATOM 27 CA LYS A 3 -0.051 4.051 -7.697 1.00 13.05 C ATOM 28 C LYS A 3 0.271 4.630 -9.070 1.00 72.05 C ATOM 29 O LYS A 3 0.086 5.823 -9.312 1.00 54.24 O ATOM 30 CB LYS A 3 -1.411 4.567 -7.220 1.00 20.10 C ATOM 31 CG LYS A 3 -2.552 4.240 -8.168 1.00 21.01 C ATOM 32 CD LYS A 3 -3.671 5.263 -8.068 1.00 1.05 C ATOM 33 CE LYS A 3 -3.729 6.148 -9.303 1.00 11.30 C ATOM 34 NZ LYS A 3 -4.402 7.447 -9.024 1.00 34.14 N ATOM 0 H LYS A 3 0.883 5.319 -6.313 1.00 42.32 H new ATOM 0 HA LYS A 3 -0.090 2.965 -7.781 1.00 13.05 H new ATOM 0 HB2 LYS A 3 -1.629 4.140 -6.241 1.00 20.10 H new ATOM 0 HB3 LYS A 3 -1.355 5.648 -7.091 1.00 20.10 H new ATOM 0 HG2 LYS A 3 -2.178 4.208 -9.191 1.00 21.01 H new ATOM 0 HG3 LYS A 3 -2.943 3.248 -7.940 1.00 21.01 H new ATOM 0 HD2 LYS A 3 -4.624 4.750 -7.942 1.00 1.05 H new ATOM 0 HD3 LYS A 3 -3.522 5.881 -7.183 1.00 1.05 H new ATOM 0 HE2 LYS A 3 -2.718 6.333 -9.665 1.00 11.30 H new ATOM 0 HE3 LYS A 3 -4.261 5.627 -10.099 1.00 11.30 H new ATOM 0 HZ1 LYS A 3 -4.421 8.021 -9.891 1.00 34.14 H new ATOM 0 HZ2 LYS A 3 -5.376 7.272 -8.703 1.00 34.14 H new ATOM 0 HZ3 LYS A 3 -3.880 7.956 -8.283 1.00 34.14 H new ATOM 48 N THR A 4 0.753 3.777 -9.969 1.00 60.10 N ATOM 49 CA THR A 4 1.100 4.204 -11.319 1.00 24.44 C ATOM 50 C THR A 4 0.322 3.412 -12.363 1.00 61.30 C ATOM 51 O THR A 4 0.454 2.191 -12.455 1.00 34.25 O ATOM 52 CB THR A 4 2.608 4.043 -11.588 1.00 5.11 C ATOM 53 OG1 THR A 4 3.204 3.231 -10.570 1.00 62.00 O ATOM 54 CG2 THR A 4 3.298 5.399 -11.630 1.00 71.53 C ATOM 0 H THR A 4 0.912 2.786 -9.786 1.00 60.10 H new ATOM 0 HA THR A 4 0.835 5.259 -11.395 1.00 24.44 H new ATOM 0 HB THR A 4 2.732 3.559 -12.557 1.00 5.11 H new ATOM 0 HG1 THR A 4 4.162 3.132 -10.750 1.00 62.00 H new ATOM 0 HG21 THR A 4 4.362 5.260 -11.821 1.00 71.53 H new ATOM 0 HG22 THR A 4 2.862 6.004 -12.425 1.00 71.53 H new ATOM 0 HG23 THR A 4 3.164 5.905 -10.674 1.00 71.53 H new ATOM 62 N ILE A 5 -0.487 4.114 -13.149 1.00 34.42 N ATOM 63 CA ILE A 5 -1.285 3.475 -14.188 1.00 52.12 C ATOM 64 C ILE A 5 -0.403 2.966 -15.323 1.00 72.31 C ATOM 65 O ILE A 5 0.771 3.324 -15.420 1.00 43.23 O ATOM 66 CB ILE A 5 -2.337 4.442 -14.764 1.00 64.35 C ATOM 67 CG1 ILE A 5 -1.696 5.370 -15.798 1.00 63.34 C ATOM 68 CG2 ILE A 5 -2.982 5.249 -13.648 1.00 71.01 C ATOM 69 CD1 ILE A 5 -0.530 6.166 -15.255 1.00 64.32 C ATOM 0 H ILE A 5 -0.607 5.125 -13.086 1.00 34.42 H new ATOM 0 HA ILE A 5 -1.795 2.632 -13.721 1.00 52.12 H new ATOM 0 HB ILE A 5 -3.113 3.858 -15.259 1.00 64.35 H new ATOM 0 HG12 ILE A 5 -1.356 4.776 -16.646 1.00 63.34 H new ATOM 0 HG13 ILE A 5 -2.452 6.059 -16.174 1.00 63.34 H new ATOM 0 HG21 ILE A 5 -3.723 5.927 -14.071 1.00 71.01 H new ATOM 0 HG22 ILE A 5 -3.469 4.573 -12.945 1.00 71.01 H new ATOM 0 HG23 ILE A 5 -2.217 5.826 -13.127 1.00 71.01 H new ATOM 0 HD11 ILE A 5 -0.125 6.802 -16.043 1.00 64.32 H new ATOM 0 HD12 ILE A 5 -0.868 6.787 -14.425 1.00 64.32 H new ATOM 0 HD13 ILE A 5 0.245 5.484 -14.905 1.00 64.32 H new ATOM 81 N LEU A 6 -0.977 2.129 -16.181 1.00 1.21 N ATOM 82 CA LEU A 6 -0.244 1.571 -17.312 1.00 2.11 C ATOM 83 C LEU A 6 -0.976 1.842 -18.622 1.00 62.14 C ATOM 84 O LEU A 6 -0.384 2.321 -19.588 1.00 43.24 O ATOM 85 CB LEU A 6 -0.048 0.065 -17.125 1.00 53.54 C ATOM 86 CG LEU A 6 1.391 -0.402 -16.904 1.00 34.20 C ATOM 87 CD1 LEU A 6 1.414 -1.836 -16.398 1.00 71.33 C ATOM 88 CD2 LEU A 6 2.196 -0.275 -18.188 1.00 45.55 C ATOM 0 H LEU A 6 -1.947 1.822 -16.115 1.00 1.21 H new ATOM 0 HA LEU A 6 0.732 2.055 -17.356 1.00 2.11 H new ATOM 0 HB2 LEU A 6 -0.648 -0.256 -16.274 1.00 53.54 H new ATOM 0 HB3 LEU A 6 -0.443 -0.445 -18.004 1.00 53.54 H new ATOM 0 HG LEU A 6 1.848 0.236 -16.148 1.00 34.20 H new ATOM 0 HD11 LEU A 6 2.446 -2.152 -16.246 1.00 71.33 H new ATOM 0 HD12 LEU A 6 0.873 -1.897 -15.454 1.00 71.33 H new ATOM 0 HD13 LEU A 6 0.939 -2.488 -17.131 1.00 71.33 H new ATOM 0 HD21 LEU A 6 3.218 -0.612 -18.012 1.00 45.55 H new ATOM 0 HD22 LEU A 6 1.741 -0.889 -18.965 1.00 45.55 H new ATOM 0 HD23 LEU A 6 2.208 0.767 -18.509 1.00 45.55 H new ATOM 100 N GLY A 7 -2.269 1.533 -18.647 1.00 1.10 N ATOM 101 CA GLY A 7 -3.061 1.752 -19.843 1.00 12.11 C ATOM 102 C GLY A 7 -3.633 3.154 -19.911 1.00 1.30 C ATOM 103 O GLY A 7 -3.952 3.752 -18.883 1.00 4.23 O ATOM 0 H GLY A 7 -2.782 1.135 -17.860 1.00 1.10 H new ATOM 0 HA2 GLY A 7 -2.443 1.572 -20.722 1.00 12.11 H new ATOM 0 HA3 GLY A 7 -3.876 1.029 -19.873 1.00 12.11 H new ATOM 107 N ILE A 8 -3.762 3.681 -21.124 1.00 63.31 N ATOM 108 CA ILE A 8 -4.298 5.022 -21.321 1.00 72.44 C ATOM 109 C ILE A 8 -5.471 5.006 -22.295 1.00 54.54 C ATOM 110 O ILE A 8 -5.481 4.240 -23.258 1.00 34.43 O ATOM 111 CB ILE A 8 -3.220 5.987 -21.848 1.00 54.34 C ATOM 112 CG1 ILE A 8 -3.819 7.376 -22.083 1.00 72.41 C ATOM 113 CG2 ILE A 8 -2.606 5.446 -23.130 1.00 45.14 C ATOM 114 CD1 ILE A 8 -2.820 8.384 -22.605 1.00 52.24 C ATOM 0 H ILE A 8 -3.503 3.200 -21.985 1.00 63.31 H new ATOM 0 HA ILE A 8 -4.642 5.372 -20.347 1.00 72.44 H new ATOM 0 HB ILE A 8 -2.433 6.073 -21.099 1.00 54.34 H new ATOM 0 HG12 ILE A 8 -4.643 7.292 -22.792 1.00 72.41 H new ATOM 0 HG13 ILE A 8 -4.240 7.744 -21.147 1.00 72.41 H new ATOM 0 HG21 ILE A 8 -1.846 6.139 -23.490 1.00 45.14 H new ATOM 0 HG22 ILE A 8 -2.149 4.476 -22.933 1.00 45.14 H new ATOM 0 HG23 ILE A 8 -3.383 5.334 -23.887 1.00 45.14 H new ATOM 0 HD11 ILE A 8 -3.314 9.345 -22.748 1.00 52.24 H new ATOM 0 HD12 ILE A 8 -2.008 8.497 -21.887 1.00 52.24 H new ATOM 0 HD13 ILE A 8 -2.417 8.038 -23.557 1.00 52.24 H new ATOM 126 N GLU A 9 -6.457 5.860 -22.039 1.00 55.40 N ATOM 127 CA GLU A 9 -7.635 5.945 -22.895 1.00 12.45 C ATOM 128 C GLU A 9 -8.065 7.397 -23.087 1.00 4.14 C ATOM 129 O GLU A 9 -8.272 8.128 -22.118 1.00 44.41 O ATOM 130 CB GLU A 9 -8.788 5.136 -22.296 1.00 5.24 C ATOM 131 CG GLU A 9 -9.463 4.210 -23.292 1.00 73.43 C ATOM 132 CD GLU A 9 -10.969 4.167 -23.121 1.00 54.43 C ATOM 133 OE1 GLU A 9 -11.436 3.578 -22.124 1.00 12.42 O ATOM 134 OE2 GLU A 9 -11.681 4.723 -23.984 1.00 62.53 O ATOM 0 H GLU A 9 -6.464 6.502 -21.247 1.00 55.40 H new ATOM 0 HA GLU A 9 -7.375 5.529 -23.868 1.00 12.45 H new ATOM 0 HB2 GLU A 9 -8.411 4.545 -21.461 1.00 5.24 H new ATOM 0 HB3 GLU A 9 -9.531 5.823 -21.890 1.00 5.24 H new ATOM 0 HG2 GLU A 9 -9.225 4.536 -24.304 1.00 73.43 H new ATOM 0 HG3 GLU A 9 -9.059 3.204 -23.178 1.00 73.43 H new ATOM 141 N VAL A 10 -8.196 7.808 -24.344 1.00 70.30 N ATOM 142 CA VAL A 10 -8.601 9.171 -24.665 1.00 0.24 C ATOM 143 C VAL A 10 -10.047 9.426 -24.254 1.00 71.24 C ATOM 144 O VAL A 10 -10.963 8.747 -24.719 1.00 14.45 O ATOM 145 CB VAL A 10 -8.447 9.464 -26.169 1.00 25.41 C ATOM 146 CG1 VAL A 10 -9.204 8.434 -26.994 1.00 11.23 C ATOM 147 CG2 VAL A 10 -8.924 10.872 -26.489 1.00 73.13 C ATOM 0 H VAL A 10 -8.027 7.216 -25.157 1.00 70.30 H new ATOM 0 HA VAL A 10 -7.944 9.836 -24.104 1.00 0.24 H new ATOM 0 HB VAL A 10 -7.391 9.396 -26.429 1.00 25.41 H new ATOM 0 HG11 VAL A 10 -9.084 8.657 -28.054 1.00 11.23 H new ATOM 0 HG12 VAL A 10 -8.809 7.440 -26.786 1.00 11.23 H new ATOM 0 HG13 VAL A 10 -10.262 8.466 -26.734 1.00 11.23 H new ATOM 0 HG21 VAL A 10 -8.808 11.062 -27.556 1.00 73.13 H new ATOM 0 HG22 VAL A 10 -9.974 10.971 -26.215 1.00 73.13 H new ATOM 0 HG23 VAL A 10 -8.332 11.593 -25.926 1.00 73.13 H new ATOM 157 N SER A 11 -10.245 10.409 -23.382 1.00 24.45 N ATOM 158 CA SER A 11 -11.580 10.751 -22.906 1.00 4.44 C ATOM 159 C SER A 11 -11.768 12.265 -22.859 1.00 22.30 C ATOM 160 O SER A 11 -12.547 12.779 -22.057 1.00 72.14 O ATOM 161 CB SER A 11 -11.818 10.153 -21.518 1.00 15.42 C ATOM 162 OG SER A 11 -13.038 9.433 -21.476 1.00 20.11 O ATOM 0 H SER A 11 -9.498 10.983 -22.991 1.00 24.45 H new ATOM 0 HA SER A 11 -12.306 10.333 -23.603 1.00 4.44 H new ATOM 0 HB2 SER A 11 -10.992 9.491 -21.257 1.00 15.42 H new ATOM 0 HB3 SER A 11 -11.836 10.949 -20.774 1.00 15.42 H new ATOM 0 HG SER A 11 -13.167 9.059 -20.579 1.00 20.11 H new ATOM 168 N GLN A 12 -11.048 12.971 -23.724 1.00 44.14 N ATOM 169 CA GLN A 12 -11.134 14.426 -23.782 1.00 33.52 C ATOM 170 C GLN A 12 -12.367 14.867 -24.564 1.00 31.13 C ATOM 171 O GLN A 12 -12.653 14.340 -25.638 1.00 72.30 O ATOM 172 CB GLN A 12 -9.874 15.008 -24.423 1.00 65.31 C ATOM 173 CG GLN A 12 -8.583 14.475 -23.821 1.00 52.12 C ATOM 174 CD GLN A 12 -8.016 15.390 -22.754 1.00 21.12 C ATOM 175 OE1 GLN A 12 -7.730 14.957 -21.637 1.00 11.31 O ATOM 176 NE2 GLN A 12 -7.849 16.663 -23.092 1.00 55.13 N ATOM 0 H GLN A 12 -10.399 12.560 -24.394 1.00 44.14 H new ATOM 0 HA GLN A 12 -11.219 14.801 -22.762 1.00 33.52 H new ATOM 0 HB2 GLN A 12 -9.885 14.789 -25.491 1.00 65.31 H new ATOM 0 HB3 GLN A 12 -9.892 16.093 -24.320 1.00 65.31 H new ATOM 0 HG2 GLN A 12 -8.767 13.491 -23.390 1.00 52.12 H new ATOM 0 HG3 GLN A 12 -7.845 14.344 -24.612 1.00 52.12 H new ATOM 0 HE21 GLN A 12 -8.099 16.979 -24.029 1.00 55.13 H new ATOM 0 HE22 GLN A 12 -7.470 17.325 -22.415 1.00 55.13 H new ATOM 185 N GLU A 13 -13.093 15.837 -24.016 1.00 70.15 N ATOM 186 CA GLU A 13 -14.296 16.348 -24.663 1.00 60.43 C ATOM 187 C GLU A 13 -14.046 17.727 -25.266 1.00 63.13 C ATOM 188 O GLU A 13 -13.287 18.537 -24.733 1.00 60.23 O ATOM 189 CB GLU A 13 -15.450 16.419 -23.661 1.00 22.21 C ATOM 190 CG GLU A 13 -16.579 15.448 -23.963 1.00 21.25 C ATOM 191 CD GLU A 13 -16.602 14.267 -23.012 1.00 33.32 C ATOM 192 OE1 GLU A 13 -15.515 13.841 -22.569 1.00 0.24 O ATOM 193 OE2 GLU A 13 -17.707 13.768 -22.711 1.00 41.12 O ATOM 0 H GLU A 13 -12.869 16.284 -23.127 1.00 70.15 H new ATOM 0 HA GLU A 13 -14.564 15.662 -25.467 1.00 60.43 H new ATOM 0 HB2 GLU A 13 -15.065 16.216 -22.662 1.00 22.21 H new ATOM 0 HB3 GLU A 13 -15.848 17.434 -23.649 1.00 22.21 H new ATOM 0 HG2 GLU A 13 -17.532 15.975 -23.905 1.00 21.25 H new ATOM 0 HG3 GLU A 13 -16.477 15.085 -24.986 1.00 21.25 H new ATOM 200 N PRO A 14 -14.698 18.001 -26.406 1.00 12.44 N ATOM 201 CA PRO A 14 -14.563 19.282 -27.106 1.00 71.34 C ATOM 202 C PRO A 14 -15.211 20.432 -26.343 1.00 75.42 C ATOM 203 O PRO A 14 -16.358 20.332 -25.906 1.00 11.11 O ATOM 204 CB PRO A 14 -15.292 19.040 -28.430 1.00 54.14 C ATOM 205 CG PRO A 14 -16.271 17.958 -28.131 1.00 73.45 C ATOM 206 CD PRO A 14 -15.619 17.083 -27.097 1.00 4.00 C ATOM 0 HA PRO A 14 -13.519 19.574 -27.225 1.00 71.34 H new ATOM 0 HB2 PRO A 14 -15.794 19.943 -28.776 1.00 54.14 H new ATOM 0 HB3 PRO A 14 -14.598 18.740 -29.215 1.00 54.14 H new ATOM 0 HG2 PRO A 14 -17.208 18.372 -27.757 1.00 73.45 H new ATOM 0 HG3 PRO A 14 -16.510 17.389 -29.029 1.00 73.45 H new ATOM 0 HD2 PRO A 14 -16.351 16.657 -26.411 1.00 4.00 H new ATOM 0 HD3 PRO A 14 -15.087 16.249 -27.554 1.00 4.00 H new ATOM 214 N LYS A 15 -14.471 21.524 -26.187 1.00 21.45 N ATOM 215 CA LYS A 15 -14.974 22.694 -25.478 1.00 4.44 C ATOM 216 C LYS A 15 -13.946 23.822 -25.492 1.00 74.12 C ATOM 217 O LYS A 15 -14.004 24.717 -26.335 1.00 43.25 O ATOM 218 CB LYS A 15 -15.326 22.330 -24.034 1.00 25.54 C ATOM 219 CG LYS A 15 -15.698 23.527 -23.177 1.00 42.31 C ATOM 220 CD LYS A 15 -14.756 23.681 -21.994 1.00 52.55 C ATOM 221 CE LYS A 15 -15.417 24.436 -20.851 1.00 23.02 C ATOM 222 NZ LYS A 15 -14.418 24.931 -19.863 1.00 32.31 N ATOM 0 H LYS A 15 -13.520 21.623 -26.542 1.00 21.45 H new ATOM 0 HA LYS A 15 -15.873 23.038 -25.989 1.00 4.44 H new ATOM 0 HB2 LYS A 15 -16.157 21.625 -24.039 1.00 25.54 H new ATOM 0 HB3 LYS A 15 -14.477 21.819 -23.580 1.00 25.54 H new ATOM 0 HG2 LYS A 15 -15.672 24.432 -23.784 1.00 42.31 H new ATOM 0 HG3 LYS A 15 -16.720 23.414 -22.817 1.00 42.31 H new ATOM 0 HD2 LYS A 15 -14.441 22.697 -21.648 1.00 52.55 H new ATOM 0 HD3 LYS A 15 -13.857 24.210 -22.310 1.00 52.55 H new ATOM 0 HE2 LYS A 15 -15.981 25.279 -21.250 1.00 23.02 H new ATOM 0 HE3 LYS A 15 -16.131 23.783 -20.349 1.00 23.02 H new ATOM 0 HZ1 LYS A 15 -14.846 25.679 -19.281 1.00 32.31 H new ATOM 0 HZ2 LYS A 15 -14.117 24.146 -19.251 1.00 32.31 H new ATOM 0 HZ3 LYS A 15 -13.592 25.314 -20.366 1.00 32.31 H new ATOM 236 N LYS A 16 -13.006 23.772 -24.555 1.00 32.23 N ATOM 237 CA LYS A 16 -11.964 24.787 -24.461 1.00 2.02 C ATOM 238 C LYS A 16 -12.540 26.181 -24.688 1.00 1.05 C ATOM 239 O LYS A 16 -11.970 26.986 -25.424 1.00 1.31 O ATOM 240 CB LYS A 16 -10.858 24.508 -25.482 1.00 13.23 C ATOM 241 CG LYS A 16 -9.460 24.768 -24.950 1.00 25.54 C ATOM 242 CD LYS A 16 -8.396 24.353 -25.952 1.00 42.34 C ATOM 243 CE LYS A 16 -8.275 22.840 -26.044 1.00 73.10 C ATOM 244 NZ LYS A 16 -7.471 22.279 -24.923 1.00 72.43 N ATOM 0 H LYS A 16 -12.944 23.038 -23.849 1.00 32.23 H new ATOM 0 HA LYS A 16 -11.542 24.747 -23.457 1.00 2.02 H new ATOM 0 HB2 LYS A 16 -10.927 23.469 -25.805 1.00 13.23 H new ATOM 0 HB3 LYS A 16 -11.024 25.128 -26.363 1.00 13.23 H new ATOM 0 HG2 LYS A 16 -9.349 25.827 -24.718 1.00 25.54 H new ATOM 0 HG3 LYS A 16 -9.317 24.221 -24.018 1.00 25.54 H new ATOM 0 HD2 LYS A 16 -8.641 24.760 -26.933 1.00 42.34 H new ATOM 0 HD3 LYS A 16 -7.436 24.779 -25.661 1.00 42.34 H new ATOM 0 HE2 LYS A 16 -9.270 22.395 -26.036 1.00 73.10 H new ATOM 0 HE3 LYS A 16 -7.813 22.570 -26.993 1.00 73.10 H new ATOM 0 HZ1 LYS A 16 -6.651 21.767 -25.306 1.00 72.43 H new ATOM 0 HZ2 LYS A 16 -7.141 23.053 -24.311 1.00 72.43 H new ATOM 0 HZ3 LYS A 16 -8.059 21.625 -24.368 1.00 72.43 H new ATOM 258 N ASP A 17 -13.671 26.459 -24.050 1.00 13.55 N ATOM 259 CA ASP A 17 -14.323 27.758 -24.180 1.00 31.53 C ATOM 260 C ASP A 17 -14.179 28.569 -22.896 1.00 12.00 C ATOM 261 O ASP A 17 -14.467 28.078 -21.804 1.00 1.40 O ATOM 262 CB ASP A 17 -15.803 27.577 -24.521 1.00 11.14 C ATOM 263 CG ASP A 17 -16.603 28.849 -24.319 1.00 42.35 C ATOM 264 OD1 ASP A 17 -16.092 29.934 -24.670 1.00 64.42 O ATOM 265 OD2 ASP A 17 -17.740 28.761 -23.812 1.00 73.42 O ATOM 0 H ASP A 17 -14.156 25.803 -23.438 1.00 13.55 H new ATOM 0 HA ASP A 17 -13.836 28.303 -24.989 1.00 31.53 H new ATOM 0 HB2 ASP A 17 -15.897 27.253 -25.557 1.00 11.14 H new ATOM 0 HB3 ASP A 17 -16.222 26.785 -23.900 1.00 11.14 H new ATOM 270 N TYR A 18 -13.732 29.812 -23.035 1.00 64.10 N ATOM 271 CA TYR A 18 -13.546 30.690 -21.886 1.00 50.42 C ATOM 272 C TYR A 18 -14.193 32.050 -22.130 1.00 43.44 C ATOM 273 O TYR A 18 -14.210 32.550 -23.256 1.00 45.30 O ATOM 274 CB TYR A 18 -12.056 30.868 -21.589 1.00 31.33 C ATOM 275 CG TYR A 18 -11.383 31.903 -22.461 1.00 54.14 C ATOM 276 CD1 TYR A 18 -10.831 31.554 -23.688 1.00 31.54 C ATOM 277 CD2 TYR A 18 -11.299 33.230 -22.060 1.00 12.44 C ATOM 278 CE1 TYR A 18 -10.215 32.496 -24.488 1.00 62.11 C ATOM 279 CE2 TYR A 18 -10.686 34.180 -22.854 1.00 72.32 C ATOM 280 CZ TYR A 18 -10.145 33.808 -24.067 1.00 74.43 C ATOM 281 OH TYR A 18 -9.533 34.750 -24.861 1.00 64.00 O ATOM 0 H TYR A 18 -13.492 30.234 -23.932 1.00 64.10 H new ATOM 0 HA TYR A 18 -14.028 30.227 -21.025 1.00 50.42 H new ATOM 0 HB2 TYR A 18 -11.934 31.152 -20.544 1.00 31.33 H new ATOM 0 HB3 TYR A 18 -11.551 29.911 -21.721 1.00 31.33 H new ATOM 0 HD1 TYR A 18 -10.885 30.528 -24.021 1.00 31.54 H new ATOM 0 HD2 TYR A 18 -11.720 33.525 -21.110 1.00 12.44 H new ATOM 0 HE1 TYR A 18 -9.790 32.207 -25.438 1.00 62.11 H new ATOM 0 HE2 TYR A 18 -10.631 35.208 -22.527 1.00 72.32 H new ATOM 0 HH TYR A 18 -9.570 35.624 -24.419 1.00 64.00 H new ATOM 291 N LEU A 19 -14.724 32.645 -21.068 1.00 21.34 N ATOM 292 CA LEU A 19 -15.372 33.948 -21.164 1.00 50.10 C ATOM 293 C LEU A 19 -14.359 35.074 -20.985 1.00 51.43 C ATOM 294 O LEU A 19 -13.360 34.920 -20.282 1.00 75.22 O ATOM 295 CB LEU A 19 -16.477 34.069 -20.113 1.00 51.12 C ATOM 296 CG LEU A 19 -16.032 33.955 -18.655 1.00 20.41 C ATOM 297 CD1 LEU A 19 -15.589 35.309 -18.124 1.00 43.01 C ATOM 298 CD2 LEU A 19 -17.153 33.385 -17.798 1.00 73.12 C ATOM 0 H LEU A 19 -14.719 32.245 -20.130 1.00 21.34 H new ATOM 0 HA LEU A 19 -15.813 34.035 -22.157 1.00 50.10 H new ATOM 0 HB2 LEU A 19 -16.974 35.030 -20.246 1.00 51.12 H new ATOM 0 HB3 LEU A 19 -17.221 33.296 -20.306 1.00 51.12 H new ATOM 0 HG LEU A 19 -15.183 33.274 -18.607 1.00 20.41 H new ATOM 0 HD11 LEU A 19 -15.276 35.208 -17.085 1.00 43.01 H new ATOM 0 HD12 LEU A 19 -14.754 35.678 -18.720 1.00 43.01 H new ATOM 0 HD13 LEU A 19 -16.419 36.013 -18.186 1.00 43.01 H new ATOM 0 HD21 LEU A 19 -16.818 33.311 -16.763 1.00 73.12 H new ATOM 0 HD22 LEU A 19 -18.022 34.041 -17.852 1.00 73.12 H new ATOM 0 HD23 LEU A 19 -17.423 32.394 -18.164 1.00 73.12 H new ATOM 310 N VAL A 20 -14.624 36.209 -21.625 1.00 15.10 N ATOM 311 CA VAL A 20 -13.738 37.363 -21.534 1.00 52.22 C ATOM 312 C VAL A 20 -13.408 37.689 -20.082 1.00 43.41 C ATOM 313 O VAL A 20 -14.289 37.715 -19.224 1.00 53.04 O ATOM 314 CB VAL A 20 -14.363 38.604 -22.198 1.00 51.43 C ATOM 315 CG1 VAL A 20 -13.377 39.762 -22.202 1.00 5.12 C ATOM 316 CG2 VAL A 20 -14.820 38.278 -23.612 1.00 52.41 C ATOM 0 H VAL A 20 -15.445 36.353 -22.212 1.00 15.10 H new ATOM 0 HA VAL A 20 -12.821 37.101 -22.062 1.00 52.22 H new ATOM 0 HB VAL A 20 -15.236 38.904 -21.618 1.00 51.43 H new ATOM 0 HG11 VAL A 20 -13.837 40.630 -22.675 1.00 5.12 H new ATOM 0 HG12 VAL A 20 -13.103 40.010 -21.177 1.00 5.12 H new ATOM 0 HG13 VAL A 20 -12.483 39.477 -22.757 1.00 5.12 H new ATOM 0 HG21 VAL A 20 -15.259 39.166 -24.066 1.00 52.41 H new ATOM 0 HG22 VAL A 20 -13.965 37.952 -24.205 1.00 52.41 H new ATOM 0 HG23 VAL A 20 -15.564 37.482 -23.580 1.00 52.41 H new ATOM 326 N GLY A 21 -12.130 37.939 -19.813 1.00 44.23 N ATOM 327 CA GLY A 21 -11.705 38.261 -18.464 1.00 3.15 C ATOM 328 C GLY A 21 -11.251 37.038 -17.691 1.00 55.21 C ATOM 329 O GLY A 21 -10.474 37.147 -16.743 1.00 43.41 O ATOM 0 H GLY A 21 -11.382 37.924 -20.506 1.00 44.23 H new ATOM 0 HA2 GLY A 21 -10.890 38.984 -18.506 1.00 3.15 H new ATOM 0 HA3 GLY A 21 -12.527 38.739 -17.932 1.00 3.15 H new ATOM 333 N ASP A 22 -11.740 35.871 -18.095 1.00 64.35 N ATOM 334 CA ASP A 22 -11.380 34.622 -17.434 1.00 75.53 C ATOM 335 C ASP A 22 -9.989 34.163 -17.858 1.00 62.35 C ATOM 336 O ASP A 22 -9.223 33.640 -17.049 1.00 1.44 O ATOM 337 CB ASP A 22 -12.409 33.536 -17.755 1.00 61.11 C ATOM 338 CG ASP A 22 -12.180 32.267 -16.957 1.00 43.33 C ATOM 339 OD1 ASP A 22 -11.508 32.340 -15.907 1.00 32.14 O ATOM 340 OD2 ASP A 22 -12.672 31.202 -17.383 1.00 74.01 O ATOM 0 H ASP A 22 -12.386 35.764 -18.877 1.00 64.35 H new ATOM 0 HA ASP A 22 -11.372 34.798 -16.358 1.00 75.53 H new ATOM 0 HB2 ASP A 22 -13.410 33.916 -17.549 1.00 61.11 H new ATOM 0 HB3 ASP A 22 -12.369 33.305 -18.819 1.00 61.11 H new ATOM 345 N SER A 23 -9.669 34.360 -19.133 1.00 51.44 N ATOM 346 CA SER A 23 -8.372 33.962 -19.667 1.00 5.44 C ATOM 347 C SER A 23 -8.192 32.449 -19.586 1.00 50.53 C ATOM 348 O SER A 23 -7.807 31.912 -18.547 1.00 10.43 O ATOM 349 CB SER A 23 -7.246 34.662 -18.902 1.00 50.34 C ATOM 350 OG SER A 23 -7.674 35.916 -18.400 1.00 1.15 O ATOM 0 H SER A 23 -10.291 34.793 -19.816 1.00 51.44 H new ATOM 0 HA SER A 23 -8.331 34.260 -20.715 1.00 5.44 H new ATOM 0 HB2 SER A 23 -6.915 34.031 -18.078 1.00 50.34 H new ATOM 0 HB3 SER A 23 -6.388 34.803 -19.560 1.00 50.34 H new ATOM 0 HG SER A 23 -6.938 36.342 -17.914 1.00 1.15 H new ATOM 356 N LEU A 24 -8.474 31.767 -20.691 1.00 3.42 N ATOM 357 CA LEU A 24 -8.344 30.315 -20.747 1.00 41.44 C ATOM 358 C LEU A 24 -9.349 29.642 -19.818 1.00 42.21 C ATOM 359 O LEU A 24 -9.683 30.174 -18.759 1.00 71.12 O ATOM 360 CB LEU A 24 -6.922 29.896 -20.370 1.00 32.32 C ATOM 361 CG LEU A 24 -6.069 29.321 -21.501 1.00 51.23 C ATOM 362 CD1 LEU A 24 -4.752 30.074 -21.612 1.00 31.53 C ATOM 363 CD2 LEU A 24 -5.820 27.836 -21.280 1.00 53.25 C ATOM 0 H LEU A 24 -8.794 32.196 -21.559 1.00 3.42 H new ATOM 0 HA LEU A 24 -8.551 29.995 -21.768 1.00 41.44 H new ATOM 0 HB2 LEU A 24 -6.406 30.764 -19.958 1.00 32.32 H new ATOM 0 HB3 LEU A 24 -6.982 29.154 -19.574 1.00 32.32 H new ATOM 0 HG LEU A 24 -6.613 29.442 -22.438 1.00 51.23 H new ATOM 0 HD11 LEU A 24 -4.158 29.651 -22.422 1.00 31.53 H new ATOM 0 HD12 LEU A 24 -4.950 31.126 -21.819 1.00 31.53 H new ATOM 0 HD13 LEU A 24 -4.202 29.986 -20.675 1.00 31.53 H new ATOM 0 HD21 LEU A 24 -5.211 27.444 -22.095 1.00 53.25 H new ATOM 0 HD22 LEU A 24 -5.297 27.691 -20.334 1.00 53.25 H new ATOM 0 HD23 LEU A 24 -6.773 27.307 -21.252 1.00 53.25 H new ATOM 375 N ASP A 25 -9.825 28.469 -20.220 1.00 51.25 N ATOM 376 CA ASP A 25 -10.789 27.721 -19.422 1.00 54.14 C ATOM 377 C ASP A 25 -11.138 26.396 -20.093 1.00 54.11 C ATOM 378 O ASP A 25 -11.996 26.342 -20.976 1.00 31.45 O ATOM 379 CB ASP A 25 -12.058 28.548 -19.209 1.00 1.52 C ATOM 380 CG ASP A 25 -12.647 28.358 -17.825 1.00 12.00 C ATOM 381 OD1 ASP A 25 -11.927 28.605 -16.835 1.00 74.20 O ATOM 382 OD2 ASP A 25 -13.828 27.961 -17.732 1.00 1.41 O ATOM 0 H ASP A 25 -9.559 28.015 -21.094 1.00 51.25 H new ATOM 0 HA ASP A 25 -10.335 27.509 -18.454 1.00 54.14 H new ATOM 0 HB2 ASP A 25 -11.831 29.603 -19.362 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -12.800 28.270 -19.958 1.00 1.52 H new ATOM 387 N LEU A 26 -10.468 25.330 -19.670 1.00 42.30 N ATOM 388 CA LEU A 26 -10.706 24.005 -20.230 1.00 70.53 C ATOM 389 C LEU A 26 -10.893 22.971 -19.124 1.00 3.31 C ATOM 390 O LEU A 26 -9.961 22.672 -18.377 1.00 72.41 O ATOM 391 CB LEU A 26 -9.543 23.595 -21.135 1.00 45.11 C ATOM 392 CG LEU A 26 -9.586 22.167 -21.679 1.00 62.31 C ATOM 393 CD1 LEU A 26 -10.430 22.102 -22.942 1.00 73.12 C ATOM 394 CD2 LEU A 26 -8.178 21.656 -21.950 1.00 10.31 C ATOM 0 H LEU A 26 -9.755 25.358 -18.941 1.00 42.30 H new ATOM 0 HA LEU A 26 -11.621 24.047 -20.821 1.00 70.53 H new ATOM 0 HB2 LEU A 26 -9.506 24.283 -21.980 1.00 45.11 H new ATOM 0 HB3 LEU A 26 -8.614 23.723 -20.579 1.00 45.11 H new ATOM 0 HG LEU A 26 -10.045 21.526 -20.926 1.00 62.31 H new ATOM 0 HD11 LEU A 26 -10.449 21.078 -23.315 1.00 73.12 H new ATOM 0 HD12 LEU A 26 -11.446 22.425 -22.717 1.00 73.12 H new ATOM 0 HD13 LEU A 26 -10.001 22.756 -23.701 1.00 73.12 H new ATOM 0 HD21 LEU A 26 -8.228 20.638 -22.337 1.00 10.31 H new ATOM 0 HD22 LEU A 26 -7.692 22.299 -22.684 1.00 10.31 H new ATOM 0 HD23 LEU A 26 -7.603 21.664 -21.024 1.00 10.31 H new ATOM 406 N SER A 27 -12.102 22.428 -19.026 1.00 50.41 N ATOM 407 CA SER A 27 -12.412 21.429 -18.010 1.00 5.40 C ATOM 408 C SER A 27 -13.021 20.182 -18.643 1.00 30.15 C ATOM 409 O SER A 27 -13.351 19.220 -17.949 1.00 44.14 O ATOM 410 CB SER A 27 -13.373 22.009 -16.970 1.00 45.34 C ATOM 411 OG SER A 27 -12.746 22.125 -15.705 1.00 24.02 O ATOM 0 H SER A 27 -12.883 22.663 -19.638 1.00 50.41 H new ATOM 0 HA SER A 27 -11.482 21.147 -17.517 1.00 5.40 H new ATOM 0 HB2 SER A 27 -13.721 22.989 -17.298 1.00 45.34 H new ATOM 0 HB3 SER A 27 -14.252 21.370 -16.886 1.00 45.34 H new ATOM 0 HG SER A 27 -13.380 22.500 -15.059 1.00 24.02 H new ATOM 417 N GLU A 28 -13.167 20.207 -19.964 1.00 13.14 N ATOM 418 CA GLU A 28 -13.738 19.079 -20.690 1.00 20.21 C ATOM 419 C GLU A 28 -12.640 18.157 -21.212 1.00 71.42 C ATOM 420 O GLU A 28 -12.892 16.999 -21.543 1.00 71.20 O ATOM 421 CB GLU A 28 -14.598 19.575 -21.854 1.00 15.44 C ATOM 422 CG GLU A 28 -15.852 20.312 -21.413 1.00 34.54 C ATOM 423 CD GLU A 28 -16.743 19.466 -20.524 1.00 33.42 C ATOM 424 OE1 GLU A 28 -17.180 18.387 -20.977 1.00 70.12 O ATOM 425 OE2 GLU A 28 -17.004 19.882 -19.376 1.00 31.12 O ATOM 0 H GLU A 28 -12.898 20.995 -20.553 1.00 13.14 H new ATOM 0 HA GLU A 28 -14.365 18.515 -19.999 1.00 20.21 H new ATOM 0 HB2 GLU A 28 -14.000 20.236 -22.481 1.00 15.44 H new ATOM 0 HB3 GLU A 28 -14.885 18.724 -22.471 1.00 15.44 H new ATOM 0 HG2 GLU A 28 -15.567 21.218 -20.879 1.00 34.54 H new ATOM 0 HG3 GLU A 28 -16.414 20.624 -22.293 1.00 34.54 H new ATOM 432 N GLY A 29 -11.420 18.680 -21.284 1.00 22.03 N ATOM 433 CA GLY A 29 -10.302 17.891 -21.767 1.00 5.31 C ATOM 434 C GLY A 29 -9.699 17.016 -20.686 1.00 1.43 C ATOM 435 O GLY A 29 -8.620 17.310 -20.170 1.00 33.21 O ATOM 0 H GLY A 29 -11.186 19.636 -21.016 1.00 22.03 H new ATOM 0 HA2 GLY A 29 -10.635 17.264 -22.594 1.00 5.31 H new ATOM 0 HA3 GLY A 29 -9.534 18.557 -22.161 1.00 5.31 H new ATOM 439 N ARG A 30 -10.397 15.940 -20.340 1.00 73.34 N ATOM 440 CA ARG A 30 -9.926 15.021 -19.311 1.00 61.02 C ATOM 441 C ARG A 30 -9.524 13.681 -19.921 1.00 42.31 C ATOM 442 O ARG A 30 -10.011 13.301 -20.986 1.00 33.44 O ATOM 443 CB ARG A 30 -11.010 14.807 -18.253 1.00 41.02 C ATOM 444 CG ARG A 30 -12.208 14.021 -18.760 1.00 15.45 C ATOM 445 CD ARG A 30 -13.471 14.870 -18.760 1.00 23.51 C ATOM 446 NE ARG A 30 -14.654 14.089 -19.111 1.00 13.40 N ATOM 447 CZ ARG A 30 -15.299 13.305 -18.254 1.00 5.32 C ATOM 448 NH1 ARG A 30 -14.876 13.198 -17.002 1.00 1.23 N ATOM 449 NH2 ARG A 30 -16.368 12.627 -18.648 1.00 73.25 N ATOM 0 H ARG A 30 -11.291 15.683 -20.757 1.00 73.34 H new ATOM 0 HA ARG A 30 -9.049 15.463 -18.838 1.00 61.02 H new ATOM 0 HB2 ARG A 30 -10.576 14.283 -17.401 1.00 41.02 H new ATOM 0 HB3 ARG A 30 -11.349 15.778 -17.891 1.00 41.02 H new ATOM 0 HG2 ARG A 30 -12.009 13.663 -19.770 1.00 15.45 H new ATOM 0 HG3 ARG A 30 -12.359 13.142 -18.134 1.00 15.45 H new ATOM 0 HD2 ARG A 30 -13.609 15.315 -17.774 1.00 23.51 H new ATOM 0 HD3 ARG A 30 -13.356 15.692 -19.467 1.00 23.51 H new ATOM 0 HE ARG A 30 -15.004 14.149 -20.067 1.00 13.40 H new ATOM 0 HH11 ARG A 30 -14.054 13.718 -16.695 1.00 1.23 H new ATOM 0 HH12 ARG A 30 -15.373 12.596 -16.346 1.00 1.23 H new ATOM 0 HH21 ARG A 30 -16.696 12.707 -19.610 1.00 73.25 H new ATOM 0 HH22 ARG A 30 -16.862 12.026 -17.989 1.00 73.25 H new ATOM 463 N PHE A 31 -8.631 12.971 -19.239 1.00 73.25 N ATOM 464 CA PHE A 31 -8.162 11.674 -19.715 1.00 12.45 C ATOM 465 C PHE A 31 -8.472 10.578 -18.699 1.00 50.40 C ATOM 466 O PHE A 31 -8.514 10.827 -17.495 1.00 3.34 O ATOM 467 CB PHE A 31 -6.657 11.721 -19.988 1.00 15.52 C ATOM 468 CG PHE A 31 -5.841 12.095 -18.784 1.00 0.22 C ATOM 469 CD1 PHE A 31 -5.725 13.419 -18.393 1.00 12.33 C ATOM 470 CD2 PHE A 31 -5.189 11.122 -18.044 1.00 2.45 C ATOM 471 CE1 PHE A 31 -4.975 13.767 -17.285 1.00 21.30 C ATOM 472 CE2 PHE A 31 -4.438 11.464 -16.935 1.00 25.42 C ATOM 473 CZ PHE A 31 -4.329 12.787 -16.556 1.00 14.52 C ATOM 0 H PHE A 31 -8.218 13.271 -18.356 1.00 73.25 H new ATOM 0 HA PHE A 31 -8.686 11.444 -20.643 1.00 12.45 H new ATOM 0 HB2 PHE A 31 -6.331 10.746 -20.349 1.00 15.52 H new ATOM 0 HB3 PHE A 31 -6.463 12.438 -20.786 1.00 15.52 H new ATOM 0 HD1 PHE A 31 -6.227 14.189 -18.961 1.00 12.33 H new ATOM 0 HD2 PHE A 31 -5.268 10.085 -18.337 1.00 2.45 H new ATOM 0 HE1 PHE A 31 -4.894 14.803 -16.990 1.00 21.30 H new ATOM 0 HE2 PHE A 31 -3.936 10.696 -16.365 1.00 25.42 H new ATOM 0 HZ PHE A 31 -3.740 13.055 -15.691 1.00 14.52 H new ATOM 483 N ALA A 32 -8.689 9.365 -19.195 1.00 72.30 N ATOM 484 CA ALA A 32 -8.994 8.230 -18.332 1.00 42.11 C ATOM 485 C ALA A 32 -7.803 7.283 -18.230 1.00 0.25 C ATOM 486 O ALA A 32 -7.352 6.726 -19.230 1.00 71.23 O ATOM 487 CB ALA A 32 -10.218 7.488 -18.848 1.00 43.14 C ATOM 0 H ALA A 32 -8.659 9.142 -20.190 1.00 72.30 H new ATOM 0 HA ALA A 32 -9.209 8.611 -17.334 1.00 42.11 H new ATOM 0 HB1 ALA A 32 -10.434 6.643 -18.194 1.00 43.14 H new ATOM 0 HB2 ALA A 32 -11.073 8.163 -18.863 1.00 43.14 H new ATOM 0 HB3 ALA A 32 -10.025 7.125 -19.857 1.00 43.14 H new ATOM 493 N VAL A 33 -7.297 7.106 -17.013 1.00 62.12 N ATOM 494 CA VAL A 33 -6.158 6.226 -16.780 1.00 20.21 C ATOM 495 C VAL A 33 -6.585 4.956 -16.053 1.00 70.51 C ATOM 496 O VAL A 33 -7.329 5.009 -15.074 1.00 72.55 O ATOM 497 CB VAL A 33 -5.063 6.931 -15.958 1.00 1.02 C ATOM 498 CG1 VAL A 33 -4.313 7.936 -16.819 1.00 3.05 C ATOM 499 CG2 VAL A 33 -5.667 7.608 -14.737 1.00 3.12 C ATOM 0 H VAL A 33 -7.658 7.560 -16.174 1.00 62.12 H new ATOM 0 HA VAL A 33 -5.755 5.964 -17.758 1.00 20.21 H new ATOM 0 HB VAL A 33 -4.351 6.181 -15.614 1.00 1.02 H new ATOM 0 HG11 VAL A 33 -3.543 8.424 -16.221 1.00 3.05 H new ATOM 0 HG12 VAL A 33 -3.847 7.420 -17.659 1.00 3.05 H new ATOM 0 HG13 VAL A 33 -5.010 8.685 -17.195 1.00 3.05 H new ATOM 0 HG21 VAL A 33 -4.879 8.101 -14.168 1.00 3.12 H new ATOM 0 HG22 VAL A 33 -6.401 8.348 -15.057 1.00 3.12 H new ATOM 0 HG23 VAL A 33 -6.154 6.861 -14.110 1.00 3.12 H new ATOM 509 N ALA A 34 -6.108 3.814 -16.539 1.00 32.04 N ATOM 510 CA ALA A 34 -6.438 2.530 -15.934 1.00 34.52 C ATOM 511 C ALA A 34 -5.276 2.000 -15.101 1.00 61.21 C ATOM 512 O ALA A 34 -4.160 1.851 -15.599 1.00 42.52 O ATOM 513 CB ALA A 34 -6.822 1.523 -17.009 1.00 11.15 C ATOM 0 H ALA A 34 -5.492 3.753 -17.350 1.00 32.04 H new ATOM 0 HA ALA A 34 -7.289 2.678 -15.269 1.00 34.52 H new ATOM 0 HB1 ALA A 34 -7.066 0.568 -16.543 1.00 11.15 H new ATOM 0 HB2 ALA A 34 -7.689 1.890 -17.559 1.00 11.15 H new ATOM 0 HB3 ALA A 34 -5.987 1.388 -17.696 1.00 11.15 H new ATOM 519 N TYR A 35 -5.545 1.717 -13.831 1.00 64.14 N ATOM 520 CA TYR A 35 -4.520 1.207 -12.929 1.00 24.43 C ATOM 521 C TYR A 35 -4.448 -0.316 -12.991 1.00 30.12 C ATOM 522 O TYR A 35 -5.459 -0.988 -13.194 1.00 62.54 O ATOM 523 CB TYR A 35 -4.803 1.657 -11.495 1.00 32.24 C ATOM 524 CG TYR A 35 -3.664 1.385 -10.538 1.00 51.12 C ATOM 525 CD1 TYR A 35 -2.343 1.558 -10.933 1.00 72.14 C ATOM 526 CD2 TYR A 35 -3.908 0.955 -9.240 1.00 34.11 C ATOM 527 CE1 TYR A 35 -1.299 1.310 -10.063 1.00 51.23 C ATOM 528 CE2 TYR A 35 -2.871 0.706 -8.363 1.00 4.33 C ATOM 529 CZ TYR A 35 -1.568 0.885 -8.779 1.00 41.10 C ATOM 530 OH TYR A 35 -0.531 0.637 -7.909 1.00 13.24 O ATOM 0 H TYR A 35 -6.464 1.832 -13.404 1.00 64.14 H new ATOM 0 HA TYR A 35 -3.559 1.611 -13.247 1.00 24.43 H new ATOM 0 HB2 TYR A 35 -5.019 2.725 -11.495 1.00 32.24 H new ATOM 0 HB3 TYR A 35 -5.698 1.150 -11.134 1.00 32.24 H new ATOM 0 HD1 TYR A 35 -2.129 1.892 -11.937 1.00 72.14 H new ATOM 0 HD2 TYR A 35 -4.927 0.813 -8.911 1.00 34.11 H new ATOM 0 HE1 TYR A 35 -0.278 1.448 -10.387 1.00 51.23 H new ATOM 0 HE2 TYR A 35 -3.079 0.373 -7.357 1.00 4.33 H new ATOM 0 HH TYR A 35 -0.891 0.346 -7.045 1.00 13.24 H new ATOM 540 N SER A 36 -3.245 -0.853 -12.813 1.00 72.21 N ATOM 541 CA SER A 36 -3.039 -2.296 -12.852 1.00 31.22 C ATOM 542 C SER A 36 -3.826 -2.987 -11.742 1.00 62.32 C ATOM 543 O SER A 36 -4.039 -4.198 -11.780 1.00 35.24 O ATOM 544 CB SER A 36 -1.551 -2.624 -12.717 1.00 42.14 C ATOM 545 OG SER A 36 -0.924 -1.770 -11.776 1.00 64.31 O ATOM 0 H SER A 36 -2.399 -0.311 -12.640 1.00 72.21 H new ATOM 0 HA SER A 36 -3.399 -2.664 -13.813 1.00 31.22 H new ATOM 0 HB2 SER A 36 -1.431 -3.662 -12.407 1.00 42.14 H new ATOM 0 HB3 SER A 36 -1.064 -2.522 -13.687 1.00 42.14 H new ATOM 0 HG SER A 36 0.026 -2.001 -11.707 1.00 64.31 H new ATOM 551 N ASN A 37 -4.254 -2.207 -10.755 1.00 72.10 N ATOM 552 CA ASN A 37 -5.017 -2.743 -9.633 1.00 40.05 C ATOM 553 C ASN A 37 -6.516 -2.640 -9.896 1.00 52.34 C ATOM 554 O ASN A 37 -7.319 -2.601 -8.964 1.00 73.50 O ATOM 555 CB ASN A 37 -4.661 -1.998 -8.345 1.00 52.24 C ATOM 556 CG ASN A 37 -4.997 -2.799 -7.102 1.00 65.24 C ATOM 557 OD1 ASN A 37 -5.687 -2.315 -6.206 1.00 10.14 O ATOM 558 ND2 ASN A 37 -4.507 -4.032 -7.044 1.00 32.32 N ATOM 0 H ASN A 37 -4.086 -1.202 -10.709 1.00 72.10 H new ATOM 0 HA ASN A 37 -4.758 -3.796 -9.519 1.00 40.05 H new ATOM 0 HB2 ASN A 37 -3.596 -1.764 -8.346 1.00 52.24 H new ATOM 0 HB3 ASN A 37 -5.196 -1.049 -8.318 1.00 52.24 H new ATOM 0 HD21 ASN A 37 -4.698 -4.619 -6.232 1.00 32.32 H new ATOM 0 HD22 ASN A 37 -3.939 -4.392 -7.811 1.00 32.32 H new ATOM 565 N ASP A 38 -6.886 -2.596 -11.172 1.00 2.44 N ATOM 566 CA ASP A 38 -8.289 -2.499 -11.558 1.00 44.42 C ATOM 567 C ASP A 38 -8.913 -1.214 -11.021 1.00 63.34 C ATOM 568 O ASP A 38 -9.752 -1.248 -10.121 1.00 1.34 O ATOM 569 CB ASP A 38 -9.066 -3.712 -11.045 1.00 12.51 C ATOM 570 CG ASP A 38 -9.128 -4.833 -12.063 1.00 62.11 C ATOM 571 OD1 ASP A 38 -9.475 -4.556 -13.231 1.00 24.53 O ATOM 572 OD2 ASP A 38 -8.828 -5.987 -11.693 1.00 33.23 O ATOM 0 H ASP A 38 -6.234 -2.626 -11.956 1.00 2.44 H new ATOM 0 HA ASP A 38 -8.340 -2.479 -12.647 1.00 44.42 H new ATOM 0 HB2 ASP A 38 -8.598 -4.080 -10.132 1.00 12.51 H new ATOM 0 HB3 ASP A 38 -10.079 -3.407 -10.783 1.00 12.51 H new ATOM 577 N THR A 39 -8.497 -0.082 -11.580 1.00 4.34 N ATOM 578 CA THR A 39 -9.012 1.214 -11.156 1.00 35.21 C ATOM 579 C THR A 39 -9.028 2.205 -12.314 1.00 72.21 C ATOM 580 O THR A 39 -8.320 2.027 -13.305 1.00 34.01 O ATOM 581 CB THR A 39 -8.177 1.802 -10.003 1.00 64.34 C ATOM 582 OG1 THR A 39 -7.266 0.815 -9.506 1.00 2.11 O ATOM 583 CG2 THR A 39 -9.075 2.285 -8.875 1.00 31.31 C ATOM 0 H THR A 39 -7.805 -0.037 -12.328 1.00 4.34 H new ATOM 0 HA THR A 39 -10.032 1.049 -10.808 1.00 35.21 H new ATOM 0 HB THR A 39 -7.616 2.653 -10.388 1.00 64.34 H new ATOM 0 HG1 THR A 39 -6.975 1.064 -8.604 1.00 2.11 H new ATOM 0 HG21 THR A 39 -8.462 2.696 -8.073 1.00 31.31 H new ATOM 0 HG22 THR A 39 -9.747 3.057 -9.250 1.00 31.31 H new ATOM 0 HG23 THR A 39 -9.660 1.449 -8.493 1.00 31.31 H new ATOM 591 N MET A 40 -9.839 3.249 -12.182 1.00 54.32 N ATOM 592 CA MET A 40 -9.945 4.270 -13.218 1.00 40.03 C ATOM 593 C MET A 40 -10.058 5.661 -12.602 1.00 33.32 C ATOM 594 O MET A 40 -10.795 5.863 -11.637 1.00 63.01 O ATOM 595 CB MET A 40 -11.155 3.996 -14.113 1.00 34.21 C ATOM 596 CG MET A 40 -11.025 4.584 -15.508 1.00 54.24 C ATOM 597 SD MET A 40 -12.149 3.818 -16.692 1.00 51.55 S ATOM 598 CE MET A 40 -13.571 4.900 -16.558 1.00 64.15 C ATOM 0 H MET A 40 -10.432 3.411 -11.368 1.00 54.32 H new ATOM 0 HA MET A 40 -9.039 4.233 -13.823 1.00 40.03 H new ATOM 0 HB2 MET A 40 -11.300 2.919 -14.194 1.00 34.21 H new ATOM 0 HB3 MET A 40 -12.048 4.403 -13.638 1.00 34.21 H new ATOM 0 HG2 MET A 40 -11.222 5.655 -15.466 1.00 54.24 H new ATOM 0 HG3 MET A 40 -9.999 4.462 -15.855 1.00 54.24 H new ATOM 0 HE1 MET A 40 -14.355 4.556 -17.233 1.00 64.15 H new ATOM 0 HE2 MET A 40 -13.943 4.887 -15.533 1.00 64.15 H new ATOM 0 HE3 MET A 40 -13.282 5.916 -16.826 1.00 64.15 H new ATOM 608 N GLU A 41 -9.324 6.615 -13.165 1.00 61.25 N ATOM 609 CA GLU A 41 -9.342 7.986 -12.669 1.00 74.30 C ATOM 610 C GLU A 41 -9.507 8.978 -13.817 1.00 25.12 C ATOM 611 O GLU A 41 -8.828 8.878 -14.838 1.00 44.11 O ATOM 612 CB GLU A 41 -8.056 8.290 -11.898 1.00 34.35 C ATOM 613 CG GLU A 41 -7.903 7.474 -10.625 1.00 11.33 C ATOM 614 CD GLU A 41 -8.227 8.273 -9.377 1.00 41.53 C ATOM 615 OE1 GLU A 41 -7.553 9.296 -9.136 1.00 4.25 O ATOM 616 OE2 GLU A 41 -9.155 7.875 -8.643 1.00 55.50 O ATOM 0 H GLU A 41 -8.709 6.464 -13.965 1.00 61.25 H new ATOM 0 HA GLU A 41 -10.193 8.091 -11.996 1.00 74.30 H new ATOM 0 HB2 GLU A 41 -7.200 8.101 -12.546 1.00 34.35 H new ATOM 0 HB3 GLU A 41 -8.036 9.350 -11.645 1.00 34.35 H new ATOM 0 HG2 GLU A 41 -8.558 6.604 -10.675 1.00 11.33 H new ATOM 0 HG3 GLU A 41 -6.881 7.101 -10.558 1.00 11.33 H new ATOM 623 N GLU A 42 -10.413 9.934 -13.640 1.00 32.21 N ATOM 624 CA GLU A 42 -10.668 10.943 -14.661 1.00 65.03 C ATOM 625 C GLU A 42 -10.387 12.344 -14.124 1.00 71.51 C ATOM 626 O GLU A 42 -10.817 12.697 -13.026 1.00 30.04 O ATOM 627 CB GLU A 42 -12.115 10.853 -15.150 1.00 23.40 C ATOM 628 CG GLU A 42 -13.141 10.939 -14.033 1.00 21.13 C ATOM 629 CD GLU A 42 -13.809 9.607 -13.750 1.00 51.33 C ATOM 630 OE1 GLU A 42 -13.288 8.851 -12.904 1.00 72.52 O ATOM 631 OE2 GLU A 42 -14.852 9.322 -14.375 1.00 20.12 O ATOM 0 H GLU A 42 -10.983 10.031 -12.799 1.00 32.21 H new ATOM 0 HA GLU A 42 -9.997 10.752 -15.499 1.00 65.03 H new ATOM 0 HB2 GLU A 42 -12.299 11.656 -15.864 1.00 23.40 H new ATOM 0 HB3 GLU A 42 -12.251 9.913 -15.685 1.00 23.40 H new ATOM 0 HG2 GLU A 42 -12.655 11.298 -13.125 1.00 21.13 H new ATOM 0 HG3 GLU A 42 -13.901 11.673 -14.299 1.00 21.13 H new ATOM 638 N HIS A 43 -9.662 13.137 -14.907 1.00 33.14 N ATOM 639 CA HIS A 43 -9.324 14.499 -14.510 1.00 43.24 C ATOM 640 C HIS A 43 -9.070 15.374 -15.735 1.00 31.14 C ATOM 641 O HIS A 43 -8.476 14.928 -16.716 1.00 74.41 O ATOM 642 CB HIS A 43 -8.091 14.498 -13.606 1.00 12.34 C ATOM 643 CG HIS A 43 -8.408 14.734 -12.161 1.00 55.30 C ATOM 644 ND1 HIS A 43 -9.334 15.664 -11.736 1.00 30.22 N ATOM 645 CD2 HIS A 43 -7.918 14.154 -11.041 1.00 34.23 C ATOM 646 CE1 HIS A 43 -9.398 15.646 -10.416 1.00 53.15 C ATOM 647 NE2 HIS A 43 -8.549 14.738 -9.970 1.00 53.01 N ATOM 0 H HIS A 43 -9.298 12.860 -15.819 1.00 33.14 H new ATOM 0 HA HIS A 43 -10.169 14.911 -13.959 1.00 43.24 H new ATOM 0 HB2 HIS A 43 -7.578 13.541 -13.706 1.00 12.34 H new ATOM 0 HB3 HIS A 43 -7.399 15.268 -13.948 1.00 12.34 H new ATOM 0 HD2 HIS A 43 -7.170 13.376 -10.997 1.00 34.23 H new ATOM 0 HE1 HIS A 43 -10.036 16.268 -9.806 1.00 53.15 H new ATOM 0 HE2 HIS A 43 -8.388 14.508 -8.989 1.00 53.01 H new ATOM 655 N SER A 44 -9.525 16.621 -15.669 1.00 42.22 N ATOM 656 CA SER A 44 -9.351 17.557 -16.774 1.00 32.01 C ATOM 657 C SER A 44 -8.423 18.700 -16.377 1.00 5.44 C ATOM 658 O SER A 44 -8.680 19.417 -15.409 1.00 61.10 O ATOM 659 CB SER A 44 -10.706 18.115 -17.215 1.00 63.11 C ATOM 660 OG SER A 44 -11.730 17.744 -16.309 1.00 2.04 O ATOM 0 H SER A 44 -10.017 17.007 -14.863 1.00 42.22 H new ATOM 0 HA SER A 44 -8.899 17.018 -17.607 1.00 32.01 H new ATOM 0 HB2 SER A 44 -10.651 19.202 -17.281 1.00 63.11 H new ATOM 0 HB3 SER A 44 -10.947 17.747 -18.212 1.00 63.11 H new ATOM 0 HG SER A 44 -12.580 18.137 -16.598 1.00 2.04 H new ATOM 666 N PHE A 45 -7.341 18.865 -17.131 1.00 22.13 N ATOM 667 CA PHE A 45 -6.372 19.920 -16.858 1.00 1.10 C ATOM 668 C PHE A 45 -6.220 20.144 -15.356 1.00 60.02 C ATOM 669 O PHE A 45 -6.697 21.141 -14.814 1.00 1.35 O ATOM 670 CB PHE A 45 -6.799 21.222 -17.539 1.00 10.25 C ATOM 671 CG PHE A 45 -5.776 22.317 -17.433 1.00 52.12 C ATOM 672 CD1 PHE A 45 -4.490 22.130 -17.913 1.00 40.20 C ATOM 673 CD2 PHE A 45 -6.101 23.533 -16.854 1.00 10.11 C ATOM 674 CE1 PHE A 45 -3.546 23.136 -17.818 1.00 74.21 C ATOM 675 CE2 PHE A 45 -5.162 24.542 -16.757 1.00 1.55 C ATOM 676 CZ PHE A 45 -3.883 24.343 -17.238 1.00 42.20 C ATOM 0 H PHE A 45 -7.113 18.281 -17.936 1.00 22.13 H new ATOM 0 HA PHE A 45 -5.408 19.607 -17.260 1.00 1.10 H new ATOM 0 HB2 PHE A 45 -6.999 21.023 -18.592 1.00 10.25 H new ATOM 0 HB3 PHE A 45 -7.734 21.565 -17.096 1.00 10.25 H new ATOM 0 HD1 PHE A 45 -4.222 21.187 -18.367 1.00 40.20 H new ATOM 0 HD2 PHE A 45 -7.099 23.694 -16.474 1.00 10.11 H new ATOM 0 HE1 PHE A 45 -2.547 22.978 -18.197 1.00 74.21 H new ATOM 0 HE2 PHE A 45 -5.428 25.486 -16.305 1.00 1.55 H new ATOM 0 HZ PHE A 45 -3.147 25.130 -17.161 1.00 42.20 H new ATOM 686 N THR A 46 -5.552 19.208 -14.689 1.00 32.11 N ATOM 687 CA THR A 46 -5.338 19.301 -13.250 1.00 73.32 C ATOM 688 C THR A 46 -4.236 18.351 -12.796 1.00 22.00 C ATOM 689 O THR A 46 -3.438 18.685 -11.920 1.00 22.21 O ATOM 690 CB THR A 46 -6.627 18.984 -12.469 1.00 34.30 C ATOM 691 OG1 THR A 46 -6.381 19.071 -11.061 1.00 61.41 O ATOM 692 CG2 THR A 46 -7.142 17.594 -12.814 1.00 44.32 C ATOM 0 H THR A 46 -5.150 18.377 -15.122 1.00 32.11 H new ATOM 0 HA THR A 46 -5.038 20.328 -13.041 1.00 73.32 H new ATOM 0 HB THR A 46 -7.385 19.715 -12.751 1.00 34.30 H new ATOM 0 HG1 THR A 46 -7.206 18.870 -10.572 1.00 61.41 H new ATOM 0 HG21 THR A 46 -8.053 17.393 -12.250 1.00 44.32 H new ATOM 0 HG22 THR A 46 -7.357 17.540 -13.881 1.00 44.32 H new ATOM 0 HG23 THR A 46 -6.386 16.852 -12.558 1.00 44.32 H new ATOM 700 N ASP A 47 -4.197 17.167 -13.397 1.00 64.01 N ATOM 701 CA ASP A 47 -3.190 16.169 -13.055 1.00 61.11 C ATOM 702 C ASP A 47 -1.892 16.423 -13.816 1.00 12.22 C ATOM 703 O ASP A 47 -0.949 15.638 -13.731 1.00 44.11 O ATOM 704 CB ASP A 47 -3.709 14.764 -13.363 1.00 71.51 C ATOM 705 CG ASP A 47 -2.881 13.682 -12.697 1.00 74.24 C ATOM 706 OD1 ASP A 47 -2.422 13.903 -11.557 1.00 43.13 O ATOM 707 OD2 ASP A 47 -2.694 12.614 -13.316 1.00 60.41 O ATOM 0 H ASP A 47 -4.851 16.875 -14.123 1.00 64.01 H new ATOM 0 HA ASP A 47 -2.985 16.247 -11.987 1.00 61.11 H new ATOM 0 HB2 ASP A 47 -4.744 14.681 -13.031 1.00 71.51 H new ATOM 0 HB3 ASP A 47 -3.706 14.607 -14.442 1.00 71.51 H new ATOM 712 N GLU A 48 -1.854 17.525 -14.559 1.00 21.20 N ATOM 713 CA GLU A 48 -0.672 17.881 -15.336 1.00 34.41 C ATOM 714 C GLU A 48 -0.206 16.703 -16.187 1.00 52.13 C ATOM 715 O GLU A 48 0.979 16.572 -16.489 1.00 41.24 O ATOM 716 CB GLU A 48 0.458 18.333 -14.409 1.00 32.32 C ATOM 717 CG GLU A 48 1.011 19.706 -14.749 1.00 4.30 C ATOM 718 CD GLU A 48 1.901 19.689 -15.977 1.00 24.15 C ATOM 719 OE1 GLU A 48 1.364 19.790 -17.100 1.00 22.55 O ATOM 720 OE2 GLU A 48 3.134 19.575 -15.815 1.00 22.53 O ATOM 0 H GLU A 48 -2.627 18.186 -14.639 1.00 21.20 H new ATOM 0 HA GLU A 48 -0.939 18.704 -15.999 1.00 34.41 H new ATOM 0 HB2 GLU A 48 0.093 18.342 -13.382 1.00 32.32 H new ATOM 0 HB3 GLU A 48 1.267 17.604 -14.453 1.00 32.32 H new ATOM 0 HG2 GLU A 48 0.184 20.396 -14.914 1.00 4.30 H new ATOM 0 HG3 GLU A 48 1.578 20.086 -13.899 1.00 4.30 H new ATOM 727 N GLY A 49 -1.149 15.847 -16.571 1.00 11.44 N ATOM 728 CA GLY A 49 -0.816 14.692 -17.383 1.00 32.55 C ATOM 729 C GLY A 49 -0.939 14.971 -18.867 1.00 40.12 C ATOM 730 O GLY A 49 -0.308 14.303 -19.687 1.00 0.25 O ATOM 0 H GLY A 49 -2.137 15.934 -16.334 1.00 11.44 H new ATOM 0 HA2 GLY A 49 0.203 14.376 -17.159 1.00 32.55 H new ATOM 0 HA3 GLY A 49 -1.472 13.863 -17.117 1.00 32.55 H new ATOM 734 N VAL A 50 -1.755 15.961 -19.216 1.00 71.30 N ATOM 735 CA VAL A 50 -1.959 16.327 -20.612 1.00 74.04 C ATOM 736 C VAL A 50 -1.330 17.680 -20.923 1.00 43.14 C ATOM 737 O VAL A 50 -1.637 18.681 -20.277 1.00 41.35 O ATOM 738 CB VAL A 50 -3.458 16.377 -20.966 1.00 64.12 C ATOM 739 CG1 VAL A 50 -4.067 14.985 -20.906 1.00 33.41 C ATOM 740 CG2 VAL A 50 -4.193 17.330 -20.036 1.00 43.54 C ATOM 0 H VAL A 50 -2.285 16.524 -18.551 1.00 71.30 H new ATOM 0 HA VAL A 50 -1.476 15.558 -21.215 1.00 74.04 H new ATOM 0 HB VAL A 50 -3.561 16.749 -21.985 1.00 64.12 H new ATOM 0 HG11 VAL A 50 -5.126 15.040 -21.159 1.00 33.41 H new ATOM 0 HG12 VAL A 50 -3.558 14.334 -21.616 1.00 33.41 H new ATOM 0 HG13 VAL A 50 -3.955 14.582 -19.900 1.00 33.41 H new ATOM 0 HG21 VAL A 50 -5.250 17.353 -20.300 1.00 43.54 H new ATOM 0 HG22 VAL A 50 -4.084 16.990 -19.006 1.00 43.54 H new ATOM 0 HG23 VAL A 50 -3.773 18.331 -20.134 1.00 43.54 H new ATOM 750 N GLU A 51 -0.447 17.702 -21.918 1.00 33.35 N ATOM 751 CA GLU A 51 0.226 18.933 -22.314 1.00 30.12 C ATOM 752 C GLU A 51 -0.391 19.505 -23.587 1.00 62.21 C ATOM 753 O GLU A 51 -0.435 18.838 -24.621 1.00 74.13 O ATOM 754 CB GLU A 51 1.719 18.678 -22.528 1.00 24.44 C ATOM 755 CG GLU A 51 2.490 18.456 -21.237 1.00 31.40 C ATOM 756 CD GLU A 51 3.721 19.335 -21.134 1.00 14.45 C ATOM 757 OE1 GLU A 51 4.631 19.181 -21.974 1.00 45.30 O ATOM 758 OE2 GLU A 51 3.773 20.177 -20.213 1.00 2.22 O ATOM 0 H GLU A 51 -0.182 16.882 -22.463 1.00 33.35 H new ATOM 0 HA GLU A 51 0.100 19.660 -21.512 1.00 30.12 H new ATOM 0 HB2 GLU A 51 1.842 17.805 -23.169 1.00 24.44 H new ATOM 0 HB3 GLU A 51 2.152 19.526 -23.058 1.00 24.44 H new ATOM 0 HG2 GLU A 51 1.835 18.654 -20.388 1.00 31.40 H new ATOM 0 HG3 GLU A 51 2.789 17.410 -21.172 1.00 31.40 H new ATOM 765 N ILE A 52 -0.866 20.743 -23.503 1.00 25.11 N ATOM 766 CA ILE A 52 -1.479 21.405 -24.648 1.00 31.34 C ATOM 767 C ILE A 52 -0.611 22.554 -25.148 1.00 51.14 C ATOM 768 O ILE A 52 -0.214 23.428 -24.377 1.00 73.42 O ATOM 769 CB ILE A 52 -2.879 21.946 -24.301 1.00 44.31 C ATOM 770 CG1 ILE A 52 -3.572 21.024 -23.296 1.00 71.15 C ATOM 771 CG2 ILE A 52 -3.717 22.091 -25.562 1.00 15.40 C ATOM 772 CD1 ILE A 52 -3.746 19.607 -23.797 1.00 43.10 C ATOM 0 H ILE A 52 -0.838 21.308 -22.654 1.00 25.11 H new ATOM 0 HA ILE A 52 -1.572 20.656 -25.434 1.00 31.34 H new ATOM 0 HB ILE A 52 -2.770 22.930 -23.845 1.00 44.31 H new ATOM 0 HG12 ILE A 52 -2.993 21.006 -22.373 1.00 71.15 H new ATOM 0 HG13 ILE A 52 -4.551 21.437 -23.051 1.00 71.15 H new ATOM 0 HG21 ILE A 52 -4.704 22.474 -25.301 1.00 15.40 H new ATOM 0 HG22 ILE A 52 -3.228 22.784 -26.246 1.00 15.40 H new ATOM 0 HG23 ILE A 52 -3.821 21.119 -26.043 1.00 15.40 H new ATOM 0 HD11 ILE A 52 -4.244 19.010 -23.033 1.00 43.10 H new ATOM 0 HD12 ILE A 52 -4.350 19.613 -24.704 1.00 43.10 H new ATOM 0 HD13 ILE A 52 -2.769 19.176 -24.015 1.00 43.10 H new ATOM 784 N SER A 53 -0.321 22.548 -26.446 1.00 33.24 N ATOM 785 CA SER A 53 0.502 23.589 -27.050 1.00 55.00 C ATOM 786 C SER A 53 -0.007 23.942 -28.444 1.00 41.15 C ATOM 787 O SER A 53 -0.585 23.106 -29.137 1.00 61.40 O ATOM 788 CB SER A 53 1.961 23.135 -27.126 1.00 54.35 C ATOM 789 OG SER A 53 2.800 23.985 -26.363 1.00 75.04 O ATOM 0 H SER A 53 -0.644 21.834 -27.099 1.00 33.24 H new ATOM 0 HA SER A 53 0.439 24.478 -26.423 1.00 55.00 H new ATOM 0 HB2 SER A 53 2.046 22.112 -26.761 1.00 54.35 H new ATOM 0 HB3 SER A 53 2.290 23.131 -28.165 1.00 54.35 H new ATOM 0 HG SER A 53 3.727 23.673 -26.426 1.00 75.04 H new ATOM 795 N GLY A 54 0.213 25.189 -28.850 1.00 5.22 N ATOM 796 CA GLY A 54 -0.228 25.633 -30.159 1.00 72.42 C ATOM 797 C GLY A 54 -1.149 26.834 -30.084 1.00 42.53 C ATOM 798 O GLY A 54 -1.195 27.648 -31.007 1.00 42.40 O ATOM 0 H GLY A 54 0.689 25.900 -28.295 1.00 5.22 H new ATOM 0 HA2 GLY A 54 0.642 25.883 -30.766 1.00 72.42 H new ATOM 0 HA3 GLY A 54 -0.743 24.815 -30.662 1.00 72.42 H new ATOM 802 N TYR A 55 -1.885 26.946 -28.984 1.00 42.12 N ATOM 803 CA TYR A 55 -2.812 28.055 -28.794 1.00 51.22 C ATOM 804 C TYR A 55 -2.084 29.291 -28.276 1.00 2.45 C ATOM 805 O TYR A 55 -1.186 29.191 -27.439 1.00 14.54 O ATOM 806 CB TYR A 55 -3.923 27.658 -27.820 1.00 63.25 C ATOM 807 CG TYR A 55 -4.506 28.826 -27.057 1.00 64.24 C ATOM 808 CD1 TYR A 55 -5.532 29.591 -27.597 1.00 33.33 C ATOM 809 CD2 TYR A 55 -4.030 29.164 -25.796 1.00 61.43 C ATOM 810 CE1 TYR A 55 -6.067 30.659 -26.903 1.00 50.13 C ATOM 811 CE2 TYR A 55 -4.560 30.229 -25.095 1.00 3.50 C ATOM 812 CZ TYR A 55 -5.578 30.974 -25.653 1.00 4.41 C ATOM 813 OH TYR A 55 -6.109 32.037 -24.958 1.00 43.03 O ATOM 0 H TYR A 55 -1.858 26.282 -28.210 1.00 42.12 H new ATOM 0 HA TYR A 55 -3.254 28.295 -29.761 1.00 51.22 H new ATOM 0 HB2 TYR A 55 -4.720 27.163 -28.374 1.00 63.25 H new ATOM 0 HB3 TYR A 55 -3.529 26.931 -27.110 1.00 63.25 H new ATOM 0 HD1 TYR A 55 -5.918 29.347 -28.576 1.00 33.33 H new ATOM 0 HD2 TYR A 55 -3.232 28.584 -25.357 1.00 61.43 H new ATOM 0 HE1 TYR A 55 -6.864 31.244 -27.337 1.00 50.13 H new ATOM 0 HE2 TYR A 55 -4.180 30.477 -24.115 1.00 3.50 H new ATOM 0 HH TYR A 55 -5.835 31.983 -24.019 1.00 43.03 H new ATOM 823 N ASP A 56 -2.478 30.456 -28.778 1.00 44.14 N ATOM 824 CA ASP A 56 -1.865 31.713 -28.366 1.00 3.52 C ATOM 825 C ASP A 56 -2.741 32.437 -27.349 1.00 14.25 C ATOM 826 O ASP A 56 -3.877 32.806 -27.645 1.00 14.24 O ATOM 827 CB ASP A 56 -1.624 32.611 -29.581 1.00 13.14 C ATOM 828 CG ASP A 56 -0.404 33.495 -29.415 1.00 2.02 C ATOM 829 OD1 ASP A 56 -0.045 33.801 -28.258 1.00 61.22 O ATOM 830 OD2 ASP A 56 0.193 33.880 -30.442 1.00 0.34 O ATOM 0 H ASP A 56 -3.220 30.556 -29.471 1.00 44.14 H new ATOM 0 HA ASP A 56 -0.908 31.485 -27.897 1.00 3.52 H new ATOM 0 HB2 ASP A 56 -1.501 31.991 -30.469 1.00 13.14 H new ATOM 0 HB3 ASP A 56 -2.502 33.236 -29.747 1.00 13.14 H new ATOM 835 N ALA A 57 -2.206 32.636 -26.148 1.00 61.45 N ATOM 836 CA ALA A 57 -2.939 33.316 -25.088 1.00 21.42 C ATOM 837 C ALA A 57 -3.218 34.768 -25.458 1.00 11.32 C ATOM 838 O ALA A 57 -4.100 35.406 -24.883 1.00 22.35 O ATOM 839 CB ALA A 57 -2.165 33.241 -23.780 1.00 42.50 C ATOM 0 H ALA A 57 -1.267 32.336 -25.886 1.00 61.45 H new ATOM 0 HA ALA A 57 -3.897 32.811 -24.960 1.00 21.42 H new ATOM 0 HB1 ALA A 57 -2.724 33.753 -22.997 1.00 42.50 H new ATOM 0 HB2 ALA A 57 -2.022 32.197 -23.501 1.00 42.50 H new ATOM 0 HB3 ALA A 57 -1.193 33.719 -23.904 1.00 42.50 H new ATOM 845 N GLN A 58 -2.461 35.285 -26.420 1.00 52.04 N ATOM 846 CA GLN A 58 -2.627 36.664 -26.865 1.00 74.42 C ATOM 847 C GLN A 58 -3.969 36.851 -27.567 1.00 4.43 C ATOM 848 O GLN A 58 -4.817 37.619 -27.112 1.00 33.41 O ATOM 849 CB GLN A 58 -1.487 37.060 -27.805 1.00 31.41 C ATOM 850 CG GLN A 58 -0.359 37.806 -27.111 1.00 63.35 C ATOM 851 CD GLN A 58 0.790 38.127 -28.047 1.00 50.12 C ATOM 852 OE1 GLN A 58 0.789 37.725 -29.211 1.00 20.31 O ATOM 853 NE2 GLN A 58 1.779 38.856 -27.543 1.00 14.13 N ATOM 0 H GLN A 58 -1.727 34.770 -26.906 1.00 52.04 H new ATOM 0 HA GLN A 58 -2.604 37.308 -25.986 1.00 74.42 H new ATOM 0 HB2 GLN A 58 -1.084 36.162 -28.273 1.00 31.41 H new ATOM 0 HB3 GLN A 58 -1.886 37.684 -28.605 1.00 31.41 H new ATOM 0 HG2 GLN A 58 -0.747 38.732 -26.687 1.00 63.35 H new ATOM 0 HG3 GLN A 58 0.011 37.206 -26.280 1.00 63.35 H new ATOM 0 HE21 GLN A 58 1.739 39.168 -26.573 1.00 14.13 H new ATOM 0 HE22 GLN A 58 2.578 39.104 -28.126 1.00 14.13 H new ATOM 862 N LYS A 59 -4.153 36.146 -28.677 1.00 55.14 N ATOM 863 CA LYS A 59 -5.392 36.233 -29.443 1.00 4.34 C ATOM 864 C LYS A 59 -6.161 34.918 -29.384 1.00 35.13 C ATOM 865 O LYS A 59 -5.571 33.838 -29.430 1.00 33.11 O ATOM 866 CB LYS A 59 -5.091 36.596 -30.899 1.00 21.23 C ATOM 867 CG LYS A 59 -5.514 38.005 -31.274 1.00 43.44 C ATOM 868 CD LYS A 59 -4.779 38.497 -32.510 1.00 41.31 C ATOM 869 CE LYS A 59 -5.641 39.443 -33.332 1.00 75.20 C ATOM 870 NZ LYS A 59 -5.033 40.798 -33.438 1.00 33.12 N ATOM 0 H LYS A 59 -3.460 35.507 -29.067 1.00 55.14 H new ATOM 0 HA LYS A 59 -6.010 37.015 -29.001 1.00 4.34 H new ATOM 0 HB2 LYS A 59 -4.021 36.487 -31.078 1.00 21.23 H new ATOM 0 HB3 LYS A 59 -5.598 35.887 -31.554 1.00 21.23 H new ATOM 0 HG2 LYS A 59 -6.589 38.027 -31.456 1.00 43.44 H new ATOM 0 HG3 LYS A 59 -5.318 38.679 -30.440 1.00 43.44 H new ATOM 0 HD2 LYS A 59 -3.862 39.005 -32.211 1.00 41.31 H new ATOM 0 HD3 LYS A 59 -4.486 37.645 -33.123 1.00 41.31 H new ATOM 0 HE2 LYS A 59 -5.783 39.030 -34.331 1.00 75.20 H new ATOM 0 HE3 LYS A 59 -6.628 39.523 -32.877 1.00 75.20 H new ATOM 0 HZ1 LYS A 59 -5.651 41.412 -34.006 1.00 33.12 H new ATOM 0 HZ2 LYS A 59 -4.921 41.204 -32.487 1.00 33.12 H new ATOM 0 HZ3 LYS A 59 -4.102 40.726 -33.896 1.00 33.12 H new ATOM 884 N THR A 60 -7.484 35.015 -29.283 1.00 4.04 N ATOM 885 CA THR A 60 -8.334 33.833 -29.218 1.00 10.31 C ATOM 886 C THR A 60 -9.538 33.971 -30.143 1.00 20.03 C ATOM 887 O THR A 60 -9.620 34.908 -30.936 1.00 64.31 O ATOM 888 CB THR A 60 -8.830 33.576 -27.783 1.00 14.35 C ATOM 889 OG1 THR A 60 -9.827 34.541 -27.429 1.00 12.53 O ATOM 890 CG2 THR A 60 -7.678 33.643 -26.791 1.00 72.05 C ATOM 0 H THR A 60 -7.989 35.900 -29.245 1.00 4.04 H new ATOM 0 HA THR A 60 -7.726 32.988 -29.541 1.00 10.31 H new ATOM 0 HB THR A 60 -9.263 32.576 -27.746 1.00 14.35 H new ATOM 0 HG1 THR A 60 -9.740 34.768 -26.480 1.00 12.53 H new ATOM 0 HG21 THR A 60 -8.053 33.458 -25.784 1.00 72.05 H new ATOM 0 HG22 THR A 60 -6.934 32.888 -27.045 1.00 72.05 H new ATOM 0 HG23 THR A 60 -7.220 34.631 -26.832 1.00 72.05 H new ATOM 898 N GLY A 61 -10.472 33.031 -30.035 1.00 13.03 N ATOM 899 CA GLY A 61 -11.660 33.067 -30.867 1.00 73.24 C ATOM 900 C GLY A 61 -11.822 31.811 -31.700 1.00 73.25 C ATOM 901 O GLY A 61 -12.940 31.345 -31.923 1.00 11.24 O ATOM 0 H GLY A 61 -10.427 32.245 -29.386 1.00 13.03 H new ATOM 0 HA2 GLY A 61 -12.539 33.196 -30.235 1.00 73.24 H new ATOM 0 HA3 GLY A 61 -11.612 33.933 -31.527 1.00 73.24 H new ATOM 905 N ARG A 62 -10.704 31.262 -32.164 1.00 73.12 N ATOM 906 CA ARG A 62 -10.728 30.054 -32.980 1.00 63.12 C ATOM 907 C ARG A 62 -9.311 29.574 -33.282 1.00 1.13 C ATOM 908 O ARG A 62 -8.857 29.631 -34.424 1.00 3.00 O ATOM 909 CB ARG A 62 -11.480 30.310 -34.287 1.00 42.44 C ATOM 910 CG ARG A 62 -12.081 29.056 -34.900 1.00 50.23 C ATOM 911 CD ARG A 62 -11.415 28.708 -36.222 1.00 61.31 C ATOM 912 NE ARG A 62 -12.122 27.642 -36.927 1.00 52.34 N ATOM 913 CZ ARG A 62 -11.645 27.033 -38.007 1.00 31.21 C ATOM 914 NH1 ARG A 62 -10.466 27.381 -38.502 1.00 42.43 N ATOM 915 NH2 ARG A 62 -12.348 26.072 -38.593 1.00 31.10 N ATOM 0 H ARG A 62 -9.771 31.634 -31.989 1.00 73.12 H new ATOM 0 HA ARG A 62 -11.245 29.276 -32.418 1.00 63.12 H new ATOM 0 HB2 ARG A 62 -12.276 31.031 -34.103 1.00 42.44 H new ATOM 0 HB3 ARG A 62 -10.798 30.764 -35.006 1.00 42.44 H new ATOM 0 HG2 ARG A 62 -11.972 28.222 -34.206 1.00 50.23 H new ATOM 0 HG3 ARG A 62 -13.150 29.203 -35.057 1.00 50.23 H new ATOM 0 HD2 ARG A 62 -11.376 29.596 -36.853 1.00 61.31 H new ATOM 0 HD3 ARG A 62 -10.385 28.401 -36.039 1.00 61.31 H new ATOM 0 HE ARG A 62 -13.032 27.349 -36.571 1.00 52.34 H new ATOM 0 HH11 ARG A 62 -9.922 28.118 -38.054 1.00 42.43 H new ATOM 0 HH12 ARG A 62 -10.102 26.912 -39.331 1.00 42.43 H new ATOM 0 HH21 ARG A 62 -13.255 25.800 -38.214 1.00 31.10 H new ATOM 0 HH22 ARG A 62 -11.981 25.605 -39.422 1.00 31.10 H new ATOM 929 N GLN A 63 -8.619 29.103 -32.249 1.00 72.54 N ATOM 930 CA GLN A 63 -7.254 28.614 -32.404 1.00 50.34 C ATOM 931 C GLN A 63 -7.185 27.108 -32.175 1.00 53.01 C ATOM 932 O GLN A 63 -7.902 26.563 -31.335 1.00 1.33 O ATOM 933 CB GLN A 63 -6.319 29.333 -31.431 1.00 10.55 C ATOM 934 CG GLN A 63 -6.539 30.837 -31.374 1.00 21.40 C ATOM 935 CD GLN A 63 -6.339 31.507 -32.719 1.00 61.30 C ATOM 936 OE1 GLN A 63 -7.190 32.270 -33.178 1.00 65.51 O ATOM 937 NE2 GLN A 63 -5.210 31.225 -33.359 1.00 70.00 N ATOM 0 H GLN A 63 -8.981 29.050 -31.297 1.00 72.54 H new ATOM 0 HA GLN A 63 -6.935 28.822 -33.425 1.00 50.34 H new ATOM 0 HB2 GLN A 63 -6.456 28.916 -30.433 1.00 10.55 H new ATOM 0 HB3 GLN A 63 -5.287 29.136 -31.720 1.00 10.55 H new ATOM 0 HG2 GLN A 63 -7.549 31.039 -31.018 1.00 21.40 H new ATOM 0 HG3 GLN A 63 -5.852 31.274 -30.649 1.00 21.40 H new ATOM 0 HE21 GLN A 63 -4.533 30.587 -32.941 1.00 70.00 H new ATOM 0 HE22 GLN A 63 -5.020 31.646 -34.268 1.00 70.00 H new ATOM 946 N THR A 64 -6.318 26.439 -32.928 1.00 72.45 N ATOM 947 CA THR A 64 -6.157 24.995 -32.809 1.00 2.12 C ATOM 948 C THR A 64 -5.191 24.641 -31.683 1.00 54.24 C ATOM 949 O THR A 64 -4.279 25.408 -31.370 1.00 34.41 O ATOM 950 CB THR A 64 -5.644 24.376 -34.123 1.00 14.20 C ATOM 951 OG1 THR A 64 -4.853 25.331 -34.839 1.00 12.45 O ATOM 952 CG2 THR A 64 -6.804 23.917 -34.993 1.00 54.35 C ATOM 0 H THR A 64 -5.716 26.874 -33.627 1.00 72.45 H new ATOM 0 HA THR A 64 -7.141 24.585 -32.583 1.00 2.12 H new ATOM 0 HB THR A 64 -5.030 23.510 -33.876 1.00 14.20 H new ATOM 0 HG1 THR A 64 -4.529 24.929 -35.672 1.00 12.45 H new ATOM 0 HG21 THR A 64 -6.418 23.483 -35.915 1.00 54.35 H new ATOM 0 HG22 THR A 64 -7.387 23.169 -34.457 1.00 54.35 H new ATOM 0 HG23 THR A 64 -7.440 24.770 -35.231 1.00 54.35 H new ATOM 960 N LEU A 65 -5.397 23.476 -31.079 1.00 5.32 N ATOM 961 CA LEU A 65 -4.543 23.020 -29.987 1.00 61.04 C ATOM 962 C LEU A 65 -4.195 21.544 -30.149 1.00 30.41 C ATOM 963 O LEU A 65 -4.978 20.766 -30.695 1.00 32.41 O ATOM 964 CB LEU A 65 -5.235 23.248 -28.643 1.00 11.44 C ATOM 965 CG LEU A 65 -5.289 24.696 -28.153 1.00 24.15 C ATOM 966 CD1 LEU A 65 -6.618 25.336 -28.522 1.00 21.42 C ATOM 967 CD2 LEU A 65 -5.064 24.759 -26.649 1.00 22.52 C ATOM 0 H LEU A 65 -6.147 22.830 -31.326 1.00 5.32 H new ATOM 0 HA LEU A 65 -3.619 23.598 -30.015 1.00 61.04 H new ATOM 0 HB2 LEU A 65 -6.255 22.871 -28.714 1.00 11.44 H new ATOM 0 HB3 LEU A 65 -4.725 22.649 -27.888 1.00 11.44 H new ATOM 0 HG LEU A 65 -4.492 25.255 -28.643 1.00 24.15 H new ATOM 0 HD11 LEU A 65 -6.638 26.366 -28.165 1.00 21.42 H new ATOM 0 HD12 LEU A 65 -6.739 25.325 -29.605 1.00 21.42 H new ATOM 0 HD13 LEU A 65 -7.432 24.777 -28.061 1.00 21.42 H new ATOM 0 HD21 LEU A 65 -5.106 25.797 -26.318 1.00 22.52 H new ATOM 0 HD22 LEU A 65 -5.839 24.185 -26.141 1.00 22.52 H new ATOM 0 HD23 LEU A 65 -4.086 24.341 -26.410 1.00 22.52 H new ATOM 979 N THR A 66 -3.015 21.163 -29.668 1.00 74.34 N ATOM 980 CA THR A 66 -2.564 19.780 -29.758 1.00 61.12 C ATOM 981 C THR A 66 -2.214 19.225 -28.382 1.00 40.31 C ATOM 982 O THR A 66 -1.534 19.881 -27.592 1.00 24.22 O ATOM 983 CB THR A 66 -1.336 19.648 -30.680 1.00 15.55 C ATOM 984 OG1 THR A 66 -0.602 20.877 -30.695 1.00 4.31 O ATOM 985 CG2 THR A 66 -1.759 19.287 -32.095 1.00 62.54 C ATOM 0 H THR A 66 -2.355 21.793 -29.212 1.00 74.34 H new ATOM 0 HA THR A 66 -3.389 19.206 -30.179 1.00 61.12 H new ATOM 0 HB THR A 66 -0.702 18.851 -30.293 1.00 15.55 H new ATOM 0 HG1 THR A 66 -0.546 21.236 -29.785 1.00 4.31 H new ATOM 0 HG21 THR A 66 -0.876 19.199 -32.728 1.00 62.54 H new ATOM 0 HG22 THR A 66 -2.293 18.337 -32.084 1.00 62.54 H new ATOM 0 HG23 THR A 66 -2.412 20.066 -32.489 1.00 62.54 H new ATOM 993 N LEU A 67 -2.682 18.014 -28.101 1.00 50.31 N ATOM 994 CA LEU A 67 -2.418 17.370 -26.819 1.00 45.22 C ATOM 995 C LEU A 67 -1.482 16.178 -26.991 1.00 44.24 C ATOM 996 O LEU A 67 -1.787 15.236 -27.724 1.00 0.42 O ATOM 997 CB LEU A 67 -3.728 16.915 -26.175 1.00 11.33 C ATOM 998 CG LEU A 67 -3.672 15.601 -25.395 1.00 41.01 C ATOM 999 CD1 LEU A 67 -2.725 15.723 -24.211 1.00 73.21 C ATOM 1000 CD2 LEU A 67 -5.063 15.198 -24.929 1.00 31.42 C ATOM 0 H LEU A 67 -3.246 17.458 -28.744 1.00 50.31 H new ATOM 0 HA LEU A 67 -1.934 18.098 -26.168 1.00 45.22 H new ATOM 0 HB2 LEU A 67 -4.070 17.700 -25.501 1.00 11.33 H new ATOM 0 HB3 LEU A 67 -4.480 16.818 -26.958 1.00 11.33 H new ATOM 0 HG LEU A 67 -3.293 14.823 -26.058 1.00 41.01 H new ATOM 0 HD11 LEU A 67 -2.698 14.778 -23.668 1.00 73.21 H new ATOM 0 HD12 LEU A 67 -1.724 15.964 -24.569 1.00 73.21 H new ATOM 0 HD13 LEU A 67 -3.073 16.514 -23.547 1.00 73.21 H new ATOM 0 HD21 LEU A 67 -5.004 14.261 -24.376 1.00 31.42 H new ATOM 0 HD22 LEU A 67 -5.470 15.976 -24.283 1.00 31.42 H new ATOM 0 HD23 LEU A 67 -5.713 15.068 -25.794 1.00 31.42 H new ATOM 1012 N HIS A 68 -0.341 16.225 -26.310 1.00 60.43 N ATOM 1013 CA HIS A 68 0.639 15.147 -26.386 1.00 31.22 C ATOM 1014 C HIS A 68 0.815 14.477 -25.026 1.00 63.25 C ATOM 1015 O HIS A 68 1.356 15.073 -24.095 1.00 11.32 O ATOM 1016 CB HIS A 68 1.982 15.684 -26.881 1.00 20.11 C ATOM 1017 CG HIS A 68 2.889 14.622 -27.421 1.00 64.21 C ATOM 1018 ND1 HIS A 68 2.577 13.854 -28.523 1.00 33.33 N ATOM 1019 CD2 HIS A 68 4.108 14.203 -27.006 1.00 33.02 C ATOM 1020 CE1 HIS A 68 3.563 13.007 -28.761 1.00 14.14 C ATOM 1021 NE2 HIS A 68 4.504 13.199 -27.854 1.00 63.15 N ATOM 0 H HIS A 68 -0.073 16.997 -25.700 1.00 60.43 H new ATOM 0 HA HIS A 68 0.271 14.403 -27.093 1.00 31.22 H new ATOM 0 HB2 HIS A 68 1.803 16.427 -27.658 1.00 20.11 H new ATOM 0 HB3 HIS A 68 2.484 16.196 -26.060 1.00 20.11 H new ATOM 0 HD2 HIS A 68 4.665 14.587 -26.164 1.00 33.02 H new ATOM 0 HE1 HIS A 68 3.594 12.282 -29.561 1.00 14.14 H new ATOM 0 HE2 HIS A 68 5.383 12.684 -27.794 1.00 63.15 H new ATOM 1029 N TYR A 69 0.355 13.235 -24.920 1.00 44.23 N ATOM 1030 CA TYR A 69 0.460 12.485 -23.674 1.00 55.51 C ATOM 1031 C TYR A 69 0.807 11.025 -23.944 1.00 71.34 C ATOM 1032 O TYR A 69 0.038 10.300 -24.575 1.00 61.23 O ATOM 1033 CB TYR A 69 -0.851 12.573 -22.891 1.00 14.03 C ATOM 1034 CG TYR A 69 -0.841 11.782 -21.602 1.00 43.21 C ATOM 1035 CD1 TYR A 69 0.304 11.710 -20.818 1.00 34.24 C ATOM 1036 CD2 TYR A 69 -1.976 11.108 -21.169 1.00 21.03 C ATOM 1037 CE1 TYR A 69 0.318 10.988 -19.640 1.00 72.31 C ATOM 1038 CE2 TYR A 69 -1.971 10.385 -19.992 1.00 32.43 C ATOM 1039 CZ TYR A 69 -0.822 10.327 -19.231 1.00 41.12 C ATOM 1040 OH TYR A 69 -0.812 9.608 -18.058 1.00 72.11 O ATOM 0 H TYR A 69 -0.094 12.727 -25.682 1.00 44.23 H new ATOM 0 HA TYR A 69 1.261 12.925 -23.080 1.00 55.51 H new ATOM 0 HB2 TYR A 69 -1.059 13.619 -22.664 1.00 14.03 H new ATOM 0 HB3 TYR A 69 -1.665 12.215 -23.521 1.00 14.03 H new ATOM 0 HD1 TYR A 69 1.198 12.227 -21.135 1.00 34.24 H new ATOM 0 HD2 TYR A 69 -2.877 11.150 -21.763 1.00 21.03 H new ATOM 0 HE1 TYR A 69 1.216 10.941 -19.043 1.00 72.31 H new ATOM 0 HE2 TYR A 69 -2.862 9.868 -19.669 1.00 32.43 H new ATOM 0 HH TYR A 69 -1.693 9.205 -17.914 1.00 72.11 H new ATOM 1050 N GLN A 70 1.970 10.601 -23.461 1.00 62.23 N ATOM 1051 CA GLN A 70 2.420 9.227 -23.650 1.00 62.24 C ATOM 1052 C GLN A 70 2.534 8.890 -25.134 1.00 13.53 C ATOM 1053 O GLN A 70 2.364 7.740 -25.534 1.00 62.33 O ATOM 1054 CB GLN A 70 1.458 8.254 -22.967 1.00 32.11 C ATOM 1055 CG GLN A 70 1.363 8.448 -21.462 1.00 42.22 C ATOM 1056 CD GLN A 70 2.207 7.452 -20.691 1.00 53.20 C ATOM 1057 OE1 GLN A 70 1.872 6.270 -20.608 1.00 51.14 O ATOM 1058 NE2 GLN A 70 3.309 7.925 -20.121 1.00 52.40 N ATOM 0 H GLN A 70 2.618 11.189 -22.936 1.00 62.23 H new ATOM 0 HA GLN A 70 3.407 9.130 -23.197 1.00 62.24 H new ATOM 0 HB2 GLN A 70 0.466 8.371 -23.403 1.00 32.11 H new ATOM 0 HB3 GLN A 70 1.779 7.233 -23.174 1.00 32.11 H new ATOM 0 HG2 GLN A 70 1.680 9.460 -21.209 1.00 42.22 H new ATOM 0 HG3 GLN A 70 0.322 8.353 -21.152 1.00 42.22 H new ATOM 0 HE21 GLN A 70 3.549 8.912 -20.215 1.00 52.40 H new ATOM 0 HE22 GLN A 70 3.916 7.301 -19.589 1.00 52.40 H new ATOM 1067 N GLY A 71 2.821 9.904 -25.945 1.00 64.21 N ATOM 1068 CA GLY A 71 2.952 9.695 -27.375 1.00 70.13 C ATOM 1069 C GLY A 71 1.648 9.917 -28.115 1.00 52.21 C ATOM 1070 O GLY A 71 1.644 10.170 -29.320 1.00 65.45 O ATOM 0 H GLY A 71 2.965 10.866 -25.637 1.00 64.21 H new ATOM 0 HA2 GLY A 71 3.710 10.371 -27.770 1.00 70.13 H new ATOM 0 HA3 GLY A 71 3.303 8.680 -27.560 1.00 70.13 H new ATOM 1074 N HIS A 72 0.536 9.822 -27.393 1.00 72.20 N ATOM 1075 CA HIS A 72 -0.782 10.013 -27.989 1.00 44.31 C ATOM 1076 C HIS A 72 -0.992 11.472 -28.386 1.00 23.53 C ATOM 1077 O HIS A 72 -0.660 12.384 -27.629 1.00 73.51 O ATOM 1078 CB HIS A 72 -1.875 9.575 -27.014 1.00 5.43 C ATOM 1079 CG HIS A 72 -1.890 8.100 -26.755 1.00 15.20 C ATOM 1080 ND1 HIS A 72 -2.775 7.238 -27.367 1.00 55.25 N ATOM 1081 CD2 HIS A 72 -1.122 7.335 -25.945 1.00 44.04 C ATOM 1082 CE1 HIS A 72 -2.551 6.007 -26.945 1.00 35.15 C ATOM 1083 NE2 HIS A 72 -1.552 6.038 -26.081 1.00 54.21 N ATOM 0 H HIS A 72 0.521 9.614 -26.395 1.00 72.20 H new ATOM 0 HA HIS A 72 -0.840 9.398 -28.887 1.00 44.31 H new ATOM 0 HB2 HIS A 72 -1.739 10.100 -26.069 1.00 5.43 H new ATOM 0 HB3 HIS A 72 -2.845 9.876 -27.409 1.00 5.43 H new ATOM 0 HD2 HIS A 72 -0.320 7.680 -25.310 1.00 44.04 H new ATOM 0 HE1 HIS A 72 -3.092 5.125 -27.254 1.00 35.15 H new ATOM 0 HE2 HIS A 72 -1.163 5.230 -25.594 1.00 54.21 H new ATOM 1091 N GLU A 73 -1.543 11.682 -29.577 1.00 13.43 N ATOM 1092 CA GLU A 73 -1.795 13.030 -30.073 1.00 54.12 C ATOM 1093 C GLU A 73 -3.292 13.277 -30.241 1.00 61.14 C ATOM 1094 O GLU A 73 -4.016 12.433 -30.769 1.00 33.20 O ATOM 1095 CB GLU A 73 -1.078 13.249 -31.407 1.00 73.51 C ATOM 1096 CG GLU A 73 -0.812 14.711 -31.723 1.00 20.24 C ATOM 1097 CD GLU A 73 -0.556 14.952 -33.198 1.00 4.14 C ATOM 1098 OE1 GLU A 73 -1.395 14.531 -34.021 1.00 42.55 O ATOM 1099 OE2 GLU A 73 0.483 15.561 -33.528 1.00 64.40 O ATOM 0 H GLU A 73 -1.823 10.938 -30.216 1.00 13.43 H new ATOM 0 HA GLU A 73 -1.407 13.738 -29.340 1.00 54.12 H new ATOM 0 HB2 GLU A 73 -0.130 12.711 -31.393 1.00 73.51 H new ATOM 0 HB3 GLU A 73 -1.678 12.816 -32.208 1.00 73.51 H new ATOM 0 HG2 GLU A 73 -1.666 15.309 -31.404 1.00 20.24 H new ATOM 0 HG3 GLU A 73 0.049 15.052 -31.148 1.00 20.24 H new ATOM 1106 N VAL A 74 -3.748 14.440 -29.788 1.00 55.22 N ATOM 1107 CA VAL A 74 -5.158 14.800 -29.888 1.00 61.42 C ATOM 1108 C VAL A 74 -5.327 16.218 -30.422 1.00 61.40 C ATOM 1109 O VAL A 74 -4.458 17.069 -30.237 1.00 2.33 O ATOM 1110 CB VAL A 74 -5.864 14.689 -28.524 1.00 4.04 C ATOM 1111 CG1 VAL A 74 -7.366 14.540 -28.710 1.00 22.43 C ATOM 1112 CG2 VAL A 74 -5.299 13.524 -27.725 1.00 5.21 C ATOM 0 H VAL A 74 -3.162 15.149 -29.348 1.00 55.22 H new ATOM 0 HA VAL A 74 -5.615 14.096 -30.583 1.00 61.42 H new ATOM 0 HB VAL A 74 -5.681 15.606 -27.964 1.00 4.04 H new ATOM 0 HG11 VAL A 74 -7.847 14.463 -27.735 1.00 22.43 H new ATOM 0 HG12 VAL A 74 -7.755 15.410 -29.239 1.00 22.43 H new ATOM 0 HG13 VAL A 74 -7.573 13.640 -29.289 1.00 22.43 H new ATOM 0 HG21 VAL A 74 -5.809 13.460 -26.764 1.00 5.21 H new ATOM 0 HG22 VAL A 74 -5.449 12.597 -28.278 1.00 5.21 H new ATOM 0 HG23 VAL A 74 -4.233 13.679 -27.560 1.00 5.21 H new ATOM 1122 N SER A 75 -6.452 16.464 -31.085 1.00 40.15 N ATOM 1123 CA SER A 75 -6.734 17.779 -31.650 1.00 33.23 C ATOM 1124 C SER A 75 -7.910 18.436 -30.934 1.00 13.02 C ATOM 1125 O SER A 75 -8.941 17.805 -30.700 1.00 72.31 O ATOM 1126 CB SER A 75 -7.034 17.662 -33.145 1.00 60.43 C ATOM 1127 OG SER A 75 -8.033 16.687 -33.390 1.00 62.45 O ATOM 0 H SER A 75 -7.183 15.771 -31.244 1.00 40.15 H new ATOM 0 HA SER A 75 -5.851 18.403 -31.512 1.00 33.23 H new ATOM 0 HB2 SER A 75 -7.362 18.628 -33.530 1.00 60.43 H new ATOM 0 HB3 SER A 75 -6.123 17.397 -33.682 1.00 60.43 H new ATOM 0 HG SER A 75 -8.208 16.633 -34.353 1.00 62.45 H new ATOM 1133 N PHE A 76 -7.748 19.709 -30.588 1.00 22.22 N ATOM 1134 CA PHE A 76 -8.795 20.453 -29.897 1.00 43.14 C ATOM 1135 C PHE A 76 -8.934 21.859 -30.475 1.00 23.33 C ATOM 1136 O PHE A 76 -8.079 22.317 -31.234 1.00 35.13 O ATOM 1137 CB PHE A 76 -8.491 20.532 -28.400 1.00 4.30 C ATOM 1138 CG PHE A 76 -8.359 19.188 -27.743 1.00 11.10 C ATOM 1139 CD1 PHE A 76 -9.355 18.235 -27.881 1.00 32.35 C ATOM 1140 CD2 PHE A 76 -7.239 18.878 -26.988 1.00 74.54 C ATOM 1141 CE1 PHE A 76 -9.237 16.997 -27.276 1.00 40.43 C ATOM 1142 CE2 PHE A 76 -7.115 17.642 -26.382 1.00 74.52 C ATOM 1143 CZ PHE A 76 -8.115 16.700 -26.527 1.00 72.13 C ATOM 0 H PHE A 76 -6.902 20.247 -30.775 1.00 22.22 H new ATOM 0 HA PHE A 76 -9.738 19.925 -30.041 1.00 43.14 H new ATOM 0 HB2 PHE A 76 -7.567 21.091 -28.254 1.00 4.30 H new ATOM 0 HB3 PHE A 76 -9.284 21.093 -27.906 1.00 4.30 H new ATOM 0 HD1 PHE A 76 -10.233 18.461 -28.467 1.00 32.35 H new ATOM 0 HD2 PHE A 76 -6.454 19.611 -26.872 1.00 74.54 H new ATOM 0 HE1 PHE A 76 -10.021 16.263 -27.389 1.00 40.43 H new ATOM 0 HE2 PHE A 76 -6.237 17.413 -25.796 1.00 74.52 H new ATOM 0 HZ PHE A 76 -8.020 15.733 -26.056 1.00 72.13 H new ATOM 1153 N ASP A 77 -10.016 22.537 -30.110 1.00 10.01 N ATOM 1154 CA ASP A 77 -10.268 23.891 -30.590 1.00 70.44 C ATOM 1155 C ASP A 77 -10.666 24.810 -29.440 1.00 45.41 C ATOM 1156 O ASP A 77 -11.373 24.401 -28.520 1.00 31.42 O ATOM 1157 CB ASP A 77 -11.366 23.881 -31.655 1.00 34.32 C ATOM 1158 CG ASP A 77 -10.848 23.466 -33.018 1.00 31.23 C ATOM 1159 OD1 ASP A 77 -9.912 24.121 -33.521 1.00 1.14 O ATOM 1160 OD2 ASP A 77 -11.379 22.486 -33.582 1.00 13.12 O ATOM 0 H ASP A 77 -10.733 22.171 -29.483 1.00 10.01 H new ATOM 0 HA ASP A 77 -9.347 24.271 -31.032 1.00 70.44 H new ATOM 0 HB2 ASP A 77 -12.159 23.199 -31.348 1.00 34.32 H new ATOM 0 HB3 ASP A 77 -11.809 24.874 -31.725 1.00 34.32 H new ATOM 1165 N VAL A 78 -10.205 26.056 -29.498 1.00 63.25 N ATOM 1166 CA VAL A 78 -10.512 27.034 -28.462 1.00 1.11 C ATOM 1167 C VAL A 78 -11.267 28.226 -29.038 1.00 52.41 C ATOM 1168 O VAL A 78 -10.929 28.731 -30.110 1.00 31.32 O ATOM 1169 CB VAL A 78 -9.232 27.538 -27.768 1.00 72.53 C ATOM 1170 CG1 VAL A 78 -8.335 28.260 -28.762 1.00 11.23 C ATOM 1171 CG2 VAL A 78 -9.582 28.443 -26.597 1.00 74.10 C ATOM 0 H VAL A 78 -9.617 26.411 -30.252 1.00 63.25 H new ATOM 0 HA VAL A 78 -11.140 26.530 -27.728 1.00 1.11 H new ATOM 0 HB VAL A 78 -8.686 26.678 -27.381 1.00 72.53 H new ATOM 0 HG11 VAL A 78 -7.436 28.609 -28.254 1.00 11.23 H new ATOM 0 HG12 VAL A 78 -8.057 27.576 -29.564 1.00 11.23 H new ATOM 0 HG13 VAL A 78 -8.869 29.113 -29.181 1.00 11.23 H new ATOM 0 HG21 VAL A 78 -8.666 28.790 -26.119 1.00 74.10 H new ATOM 0 HG22 VAL A 78 -10.150 29.301 -26.957 1.00 74.10 H new ATOM 0 HG23 VAL A 78 -10.181 27.888 -25.875 1.00 74.10 H new ATOM 1181 N LEU A 79 -12.291 28.674 -28.320 1.00 75.31 N ATOM 1182 CA LEU A 79 -13.096 29.809 -28.759 1.00 60.33 C ATOM 1183 C LEU A 79 -13.522 30.666 -27.572 1.00 2.21 C ATOM 1184 O LEU A 79 -13.963 30.149 -26.545 1.00 43.04 O ATOM 1185 CB LEU A 79 -14.331 29.320 -29.519 1.00 44.30 C ATOM 1186 CG LEU A 79 -14.066 28.379 -30.695 1.00 13.12 C ATOM 1187 CD1 LEU A 79 -14.068 26.931 -30.230 1.00 54.03 C ATOM 1188 CD2 LEU A 79 -15.101 28.591 -31.791 1.00 2.15 C ATOM 0 H LEU A 79 -12.584 28.269 -27.431 1.00 75.31 H new ATOM 0 HA LEU A 79 -12.486 30.420 -29.424 1.00 60.33 H new ATOM 0 HB2 LEU A 79 -14.989 28.812 -28.814 1.00 44.30 H new ATOM 0 HB3 LEU A 79 -14.872 30.190 -29.890 1.00 44.30 H new ATOM 0 HG LEU A 79 -13.082 28.607 -31.104 1.00 13.12 H new ATOM 0 HD11 LEU A 79 -13.878 26.276 -31.080 1.00 54.03 H new ATOM 0 HD12 LEU A 79 -13.289 26.788 -29.481 1.00 54.03 H new ATOM 0 HD13 LEU A 79 -15.038 26.690 -29.796 1.00 54.03 H new ATOM 0 HD21 LEU A 79 -14.897 27.913 -32.620 1.00 2.15 H new ATOM 0 HD22 LEU A 79 -16.097 28.391 -31.395 1.00 2.15 H new ATOM 0 HD23 LEU A 79 -15.051 29.621 -32.144 1.00 2.15 H new ATOM 1200 N VAL A 80 -13.389 31.981 -27.720 1.00 22.42 N ATOM 1201 CA VAL A 80 -13.763 32.911 -26.661 1.00 62.31 C ATOM 1202 C VAL A 80 -15.112 33.558 -26.950 1.00 14.30 C ATOM 1203 O VAL A 80 -15.385 33.973 -28.076 1.00 41.43 O ATOM 1204 CB VAL A 80 -12.703 34.015 -26.484 1.00 35.31 C ATOM 1205 CG1 VAL A 80 -12.671 34.925 -27.702 1.00 72.44 C ATOM 1206 CG2 VAL A 80 -12.974 34.814 -25.218 1.00 53.13 C ATOM 0 H VAL A 80 -13.025 32.426 -28.563 1.00 22.42 H new ATOM 0 HA VAL A 80 -13.831 32.332 -25.740 1.00 62.31 H new ATOM 0 HB VAL A 80 -11.725 33.544 -26.387 1.00 35.31 H new ATOM 0 HG11 VAL A 80 -11.916 35.698 -27.559 1.00 72.44 H new ATOM 0 HG12 VAL A 80 -12.426 34.339 -28.588 1.00 72.44 H new ATOM 0 HG13 VAL A 80 -13.648 35.391 -27.834 1.00 72.44 H new ATOM 0 HG21 VAL A 80 -12.216 35.590 -25.108 1.00 53.13 H new ATOM 0 HG22 VAL A 80 -13.959 35.276 -25.283 1.00 53.13 H new ATOM 0 HG23 VAL A 80 -12.941 34.150 -24.354 1.00 53.13 H new ATOM 1216 N SER A 81 -15.954 33.642 -25.925 1.00 31.33 N ATOM 1217 CA SER A 81 -17.278 34.236 -26.069 1.00 1.22 C ATOM 1218 C SER A 81 -17.430 35.450 -25.158 1.00 13.34 C ATOM 1219 O SER A 81 -16.694 35.626 -24.187 1.00 11.14 O ATOM 1220 CB SER A 81 -18.361 33.204 -25.748 1.00 51.52 C ATOM 1221 OG SER A 81 -17.810 31.904 -25.636 1.00 65.01 O ATOM 0 H SER A 81 -15.743 33.306 -24.985 1.00 31.33 H new ATOM 0 HA SER A 81 -17.393 34.562 -27.103 1.00 1.22 H new ATOM 0 HB2 SER A 81 -18.859 33.473 -24.816 1.00 51.52 H new ATOM 0 HB3 SER A 81 -19.120 33.214 -26.530 1.00 51.52 H new ATOM 0 HG SER A 81 -18.522 31.264 -25.429 1.00 65.01 H new ATOM 1227 N PRO A 82 -18.409 36.310 -25.477 1.00 74.41 N ATOM 1228 CA PRO A 82 -18.683 37.522 -24.700 1.00 40.34 C ATOM 1229 C PRO A 82 -19.270 37.212 -23.328 1.00 21.42 C ATOM 1230 O PRO A 82 -20.006 36.239 -23.161 1.00 63.53 O ATOM 1231 CB PRO A 82 -19.703 38.272 -25.561 1.00 10.11 C ATOM 1232 CG PRO A 82 -20.372 37.212 -26.365 1.00 72.34 C ATOM 1233 CD PRO A 82 -19.325 36.163 -26.621 1.00 12.11 C ATOM 0 HA PRO A 82 -17.775 38.090 -24.498 1.00 40.34 H new ATOM 0 HB2 PRO A 82 -20.420 38.813 -24.944 1.00 10.11 H new ATOM 0 HB3 PRO A 82 -19.216 39.007 -26.202 1.00 10.11 H new ATOM 0 HG2 PRO A 82 -21.222 36.792 -25.827 1.00 72.34 H new ATOM 0 HG3 PRO A 82 -20.756 37.617 -27.301 1.00 72.34 H new ATOM 0 HD2 PRO A 82 -19.759 35.164 -26.663 1.00 12.11 H new ATOM 0 HD3 PRO A 82 -18.814 36.328 -27.569 1.00 12.11 H new ATOM 1241 N LYS A 83 -18.941 38.044 -22.346 1.00 44.43 N ATOM 1242 CA LYS A 83 -19.436 37.860 -20.987 1.00 52.34 C ATOM 1243 C LYS A 83 -20.961 37.845 -20.962 1.00 32.30 C ATOM 1244 O LYS A 83 -21.609 38.782 -21.426 1.00 43.44 O ATOM 1245 CB LYS A 83 -18.912 38.972 -20.076 1.00 43.53 C ATOM 1246 CG LYS A 83 -17.409 38.924 -19.861 1.00 1.31 C ATOM 1247 CD LYS A 83 -16.784 40.304 -19.980 1.00 10.23 C ATOM 1248 CE LYS A 83 -17.188 41.201 -18.819 1.00 61.24 C ATOM 1249 NZ LYS A 83 -18.430 41.967 -19.117 1.00 3.14 N ATOM 0 H LYS A 83 -18.333 38.854 -22.466 1.00 44.43 H new ATOM 0 HA LYS A 83 -19.074 36.899 -20.622 1.00 52.34 H new ATOM 0 HB2 LYS A 83 -19.179 39.938 -20.505 1.00 43.53 H new ATOM 0 HB3 LYS A 83 -19.411 38.904 -19.109 1.00 43.53 H new ATOM 0 HG2 LYS A 83 -17.195 38.510 -18.876 1.00 1.31 H new ATOM 0 HG3 LYS A 83 -16.957 38.255 -20.593 1.00 1.31 H new ATOM 0 HD2 LYS A 83 -15.698 40.212 -20.009 1.00 10.23 H new ATOM 0 HD3 LYS A 83 -17.090 40.763 -20.920 1.00 10.23 H new ATOM 0 HE2 LYS A 83 -17.341 40.594 -17.927 1.00 61.24 H new ATOM 0 HE3 LYS A 83 -16.377 41.895 -18.597 1.00 61.24 H new ATOM 0 HZ1 LYS A 83 -18.449 42.834 -18.544 1.00 3.14 H new ATOM 0 HZ2 LYS A 83 -18.449 42.219 -20.126 1.00 3.14 H new ATOM 0 HZ3 LYS A 83 -19.261 41.384 -18.890 1.00 3.14 H new ATOM 1263 N ALA A 84 -21.528 36.774 -20.415 1.00 54.32 N ATOM 1264 CA ALA A 84 -22.977 36.639 -20.326 1.00 61.11 C ATOM 1265 C ALA A 84 -23.364 35.377 -19.564 1.00 35.55 C ATOM 1266 O ALA A 84 -23.651 34.341 -20.164 1.00 15.15 O ATOM 1267 CB ALA A 84 -23.592 36.627 -21.718 1.00 15.25 C ATOM 0 H ALA A 84 -21.006 35.988 -20.027 1.00 54.32 H new ATOM 0 HA ALA A 84 -23.365 37.497 -19.777 1.00 61.11 H new ATOM 0 HB1 ALA A 84 -24.674 36.526 -21.637 1.00 15.25 H new ATOM 0 HB2 ALA A 84 -23.352 37.559 -22.230 1.00 15.25 H new ATOM 0 HB3 ALA A 84 -23.191 35.788 -22.286 1.00 15.25 H new ATOM 1273 N ALA A 85 -23.370 35.470 -18.238 1.00 22.22 N ATOM 1274 CA ALA A 85 -23.723 34.335 -17.394 1.00 14.34 C ATOM 1275 C ALA A 85 -24.248 34.801 -16.040 1.00 15.02 C ATOM 1276 O ALA A 85 -24.182 35.986 -15.711 1.00 11.21 O ATOM 1277 CB ALA A 85 -22.522 33.420 -17.209 1.00 71.15 C ATOM 0 H ALA A 85 -23.134 36.320 -17.725 1.00 22.22 H new ATOM 0 HA ALA A 85 -24.517 33.778 -17.891 1.00 14.34 H new ATOM 0 HB1 ALA A 85 -22.801 32.577 -16.577 1.00 71.15 H new ATOM 0 HB2 ALA A 85 -22.192 33.051 -18.180 1.00 71.15 H new ATOM 0 HB3 ALA A 85 -21.711 33.975 -16.737 1.00 71.15 H new ATOM 1283 N LEU A 86 -24.771 33.862 -15.259 1.00 2.25 N ATOM 1284 CA LEU A 86 -25.308 34.177 -13.939 1.00 75.33 C ATOM 1285 C LEU A 86 -24.741 33.236 -12.882 1.00 21.35 C ATOM 1286 O LEU A 86 -23.931 32.361 -13.185 1.00 73.33 O ATOM 1287 CB LEU A 86 -26.835 34.084 -13.954 1.00 13.50 C ATOM 1288 CG LEU A 86 -27.564 35.148 -14.776 1.00 71.11 C ATOM 1289 CD1 LEU A 86 -28.202 34.526 -16.008 1.00 70.44 C ATOM 1290 CD2 LEU A 86 -28.613 35.851 -13.928 1.00 15.52 C ATOM 0 H LEU A 86 -24.835 32.877 -15.516 1.00 2.25 H new ATOM 0 HA LEU A 86 -25.014 35.196 -13.687 1.00 75.33 H new ATOM 0 HB2 LEU A 86 -27.116 33.103 -14.336 1.00 13.50 H new ATOM 0 HB3 LEU A 86 -27.193 34.140 -12.926 1.00 13.50 H new ATOM 0 HG LEU A 86 -26.835 35.889 -15.104 1.00 71.11 H new ATOM 0 HD11 LEU A 86 -28.716 35.298 -16.581 1.00 70.44 H new ATOM 0 HD12 LEU A 86 -27.429 34.069 -16.627 1.00 70.44 H new ATOM 0 HD13 LEU A 86 -28.919 33.764 -15.701 1.00 70.44 H new ATOM 0 HD21 LEU A 86 -29.122 36.605 -14.529 1.00 15.52 H new ATOM 0 HD22 LEU A 86 -29.340 35.122 -13.570 1.00 15.52 H new ATOM 0 HD23 LEU A 86 -28.131 36.331 -13.077 1.00 15.52 H new ATOM 1302 N ASN A 87 -25.173 33.421 -11.639 1.00 15.25 N ATOM 1303 CA ASN A 87 -24.710 32.588 -10.535 1.00 64.44 C ATOM 1304 C ASN A 87 -25.759 31.545 -10.163 1.00 31.21 C ATOM 1305 O ASN A 87 -26.950 31.847 -10.087 1.00 51.34 O ATOM 1306 CB ASN A 87 -24.380 33.454 -9.318 1.00 33.42 C ATOM 1307 CG ASN A 87 -22.921 33.863 -9.278 1.00 2.54 C ATOM 1308 OD1 ASN A 87 -22.452 34.615 -10.133 1.00 23.14 O ATOM 1309 ND2 ASN A 87 -22.195 33.370 -8.281 1.00 70.31 N ATOM 0 H ASN A 87 -25.844 34.141 -11.371 1.00 15.25 H new ATOM 0 HA ASN A 87 -23.807 32.069 -10.858 1.00 64.44 H new ATOM 0 HB2 ASN A 87 -25.005 34.347 -9.331 1.00 33.42 H new ATOM 0 HB3 ASN A 87 -24.626 32.906 -8.408 1.00 33.42 H new ATOM 0 HD21 ASN A 87 -21.207 33.611 -8.202 1.00 70.31 H new ATOM 0 HD22 ASN A 87 -22.625 32.750 -7.595 1.00 70.31 H new ATOM 1316 N ASP A 88 -25.309 30.317 -9.931 1.00 24.12 N ATOM 1317 CA ASP A 88 -26.208 29.229 -9.564 1.00 41.03 C ATOM 1318 C ASP A 88 -25.881 28.699 -8.172 1.00 4.23 C ATOM 1319 O ASP A 88 -24.992 29.215 -7.495 1.00 12.15 O ATOM 1320 CB ASP A 88 -26.117 28.097 -10.589 1.00 32.24 C ATOM 1321 CG ASP A 88 -24.722 27.512 -10.683 1.00 22.10 C ATOM 1322 OD1 ASP A 88 -24.388 26.638 -9.856 1.00 73.43 O ATOM 1323 OD2 ASP A 88 -23.963 27.929 -11.583 1.00 42.00 O ATOM 0 H ASP A 88 -24.326 30.050 -9.991 1.00 24.12 H new ATOM 0 HA ASP A 88 -27.226 29.619 -9.554 1.00 41.03 H new ATOM 0 HB2 ASP A 88 -26.821 27.309 -10.320 1.00 32.24 H new ATOM 0 HB3 ASP A 88 -26.417 28.472 -11.567 1.00 32.24 H new ATOM 1328 N GLU A 89 -26.606 27.667 -7.751 1.00 45.21 N ATOM 1329 CA GLU A 89 -26.393 27.070 -6.438 1.00 64.42 C ATOM 1330 C GLU A 89 -25.091 26.273 -6.407 1.00 53.25 C ATOM 1331 O GLU A 89 -25.088 25.083 -6.094 1.00 41.32 O ATOM 1332 CB GLU A 89 -27.568 26.162 -6.070 1.00 22.50 C ATOM 1333 CG GLU A 89 -27.818 25.051 -7.077 1.00 10.42 C ATOM 1334 CD GLU A 89 -27.721 23.670 -6.458 1.00 53.24 C ATOM 1335 OE1 GLU A 89 -28.403 23.426 -5.441 1.00 73.24 O ATOM 1336 OE2 GLU A 89 -26.963 22.834 -6.992 1.00 71.43 O ATOM 0 H GLU A 89 -27.345 27.228 -8.300 1.00 45.21 H new ATOM 0 HA GLU A 89 -26.323 27.876 -5.708 1.00 64.42 H new ATOM 0 HB2 GLU A 89 -27.381 25.719 -5.092 1.00 22.50 H new ATOM 0 HB3 GLU A 89 -28.470 26.768 -5.979 1.00 22.50 H new ATOM 0 HG2 GLU A 89 -28.807 25.180 -7.516 1.00 10.42 H new ATOM 0 HG3 GLU A 89 -27.096 25.133 -7.889 1.00 10.42 H new TER 1343 GLU A 89