USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 567 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 87 ASN : amide:sc= -1.77 K(o=-9,f=-10!) USER MOD Set 1.2: A 89 ASN : amide:sc= -7.28! C(o=-9!,f=-18!) USER MOD Set 2.1: A 83 SER OG : rot -4:sc= 1.76 USER MOD Set 2.2: A 86 THR OG1 : rot 147:sc= 0.21 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 105:sc= 0.136 USER MOD Single : A 12 SER OG : rot 180:sc= -0.149 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -5:sc= 1.17 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0605 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -124:sc= -0.143 (180deg=-0.615) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 41 THR OG1 : rot -169:sc= -3.32! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.6) USER MOD Single : A 50 ASN : amide:sc= -2.63 K(o=-2.6,f=-3.9!) USER MOD Single : A 53 LYS NZ :NH3+ -151:sc= -1.94 (180deg=-3.08!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -28:sc= 0.752 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -4.24 K(o=-4.2,f=-8.4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -1.26 K(o=-1.3,f=-5.4!) USER MOD Single : A 73 LYS NZ :NH3+ 169:sc= -0.0611 (180deg=-0.306) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 3.175 -2.642 -2.524 1.00 45.12 N ATOM 12 CA ILE A 2 3.484 -3.819 -3.326 1.00 24.52 C ATOM 13 C ILE A 2 4.764 -3.617 -4.130 1.00 2.21 C ATOM 14 O ILE A 2 5.333 -2.525 -4.147 1.00 33.24 O ATOM 15 CB ILE A 2 2.334 -4.161 -4.291 1.00 32.21 C ATOM 16 CG1 ILE A 2 2.219 -3.093 -5.380 1.00 72.25 C ATOM 17 CG2 ILE A 2 1.024 -4.291 -3.528 1.00 52.13 C ATOM 18 CD1 ILE A 2 1.093 -3.346 -6.358 1.00 73.42 C ATOM 0 HA ILE A 2 3.622 -4.647 -2.630 1.00 24.52 H new ATOM 0 HB ILE A 2 2.551 -5.117 -4.768 1.00 32.21 H new ATOM 0 HG12 ILE A 2 2.070 -2.121 -4.910 1.00 72.25 H new ATOM 0 HG13 ILE A 2 3.160 -3.041 -5.927 1.00 72.25 H new ATOM 0 HG21 ILE A 2 0.220 -4.533 -4.223 1.00 52.13 H new ATOM 0 HG22 ILE A 2 1.112 -5.084 -2.786 1.00 52.13 H new ATOM 0 HG23 ILE A 2 0.799 -3.349 -3.028 1.00 52.13 H new ATOM 0 HD11 ILE A 2 1.071 -2.549 -7.102 1.00 73.42 H new ATOM 0 HD12 ILE A 2 1.251 -4.303 -6.856 1.00 73.42 H new ATOM 0 HD13 ILE A 2 0.144 -3.368 -5.822 1.00 73.42 H new ATOM 30 N SER A 3 5.211 -4.676 -4.797 1.00 43.12 N ATOM 31 CA SER A 3 6.425 -4.615 -5.603 1.00 24.34 C ATOM 32 C SER A 3 6.088 -4.462 -7.083 1.00 24.53 C ATOM 33 O SER A 3 5.563 -5.383 -7.710 1.00 40.42 O ATOM 34 CB SER A 3 7.269 -5.873 -5.387 1.00 71.32 C ATOM 35 OG SER A 3 8.054 -5.766 -4.212 1.00 74.20 O ATOM 0 H SER A 3 4.751 -5.586 -4.795 1.00 43.12 H new ATOM 0 HA SER A 3 6.998 -3.743 -5.287 1.00 24.34 H new ATOM 0 HB2 SER A 3 6.617 -6.744 -5.314 1.00 71.32 H new ATOM 0 HB3 SER A 3 7.918 -6.031 -6.248 1.00 71.32 H new ATOM 0 HG SER A 3 8.582 -6.583 -4.096 1.00 74.20 H new ATOM 41 N CYS A 4 6.394 -3.293 -7.635 1.00 24.20 N ATOM 42 CA CYS A 4 6.125 -3.017 -9.041 1.00 34.02 C ATOM 43 C CYS A 4 6.685 -4.123 -9.930 1.00 24.22 C ATOM 44 O CYS A 4 6.053 -4.533 -10.903 1.00 4.24 O ATOM 45 CB CYS A 4 6.728 -1.670 -9.442 1.00 40.33 C ATOM 46 SG CYS A 4 5.994 -0.944 -10.943 1.00 61.15 S ATOM 0 H CYS A 4 6.829 -2.521 -7.130 1.00 24.20 H new ATOM 0 HA CYS A 4 5.044 -2.979 -9.177 1.00 34.02 H new ATOM 0 HB2 CYS A 4 6.607 -0.969 -8.616 1.00 40.33 H new ATOM 0 HB3 CYS A 4 7.799 -1.796 -9.599 1.00 40.33 H new ATOM 51 N GLY A 5 7.877 -4.603 -9.588 1.00 5.23 N ATOM 52 CA GLY A 5 8.504 -5.657 -10.364 1.00 53.11 C ATOM 53 C GLY A 5 7.633 -6.893 -10.472 1.00 1.00 C ATOM 54 O GLY A 5 7.711 -7.631 -11.453 1.00 71.43 O ATOM 0 H GLY A 5 8.420 -4.280 -8.787 1.00 5.23 H new ATOM 0 HA2 GLY A 5 8.727 -5.285 -11.364 1.00 53.11 H new ATOM 0 HA3 GLY A 5 9.455 -5.926 -9.905 1.00 53.11 H new ATOM 58 N ALA A 6 6.802 -7.120 -9.460 1.00 4.13 N ATOM 59 CA ALA A 6 5.913 -8.275 -9.445 1.00 44.02 C ATOM 60 C ALA A 6 4.617 -7.979 -10.191 1.00 15.13 C ATOM 61 O ALA A 6 3.911 -8.893 -10.617 1.00 61.31 O ATOM 62 CB ALA A 6 5.617 -8.695 -8.013 1.00 63.12 C ATOM 0 H ALA A 6 6.726 -6.519 -8.639 1.00 4.13 H new ATOM 0 HA ALA A 6 6.416 -9.096 -9.956 1.00 44.02 H new ATOM 0 HB1 ALA A 6 4.952 -9.559 -8.017 1.00 63.12 H new ATOM 0 HB2 ALA A 6 6.548 -8.957 -7.511 1.00 63.12 H new ATOM 0 HB3 ALA A 6 5.138 -7.871 -7.484 1.00 63.12 H new ATOM 68 N VAL A 7 4.307 -6.695 -10.344 1.00 22.30 N ATOM 69 CA VAL A 7 3.095 -6.279 -11.038 1.00 52.35 C ATOM 70 C VAL A 7 3.181 -6.590 -12.529 1.00 14.55 C ATOM 71 O VAL A 7 2.278 -7.202 -13.100 1.00 20.31 O ATOM 72 CB VAL A 7 2.832 -4.772 -10.854 1.00 34.42 C ATOM 73 CG1 VAL A 7 1.523 -4.373 -11.519 1.00 64.24 C ATOM 74 CG2 VAL A 7 2.819 -4.411 -9.376 1.00 65.31 C ATOM 0 H VAL A 7 4.879 -5.925 -9.996 1.00 22.30 H new ATOM 0 HA VAL A 7 2.270 -6.841 -10.599 1.00 52.35 H new ATOM 0 HB VAL A 7 3.639 -4.219 -11.334 1.00 34.42 H new ATOM 0 HG11 VAL A 7 1.354 -3.305 -11.379 1.00 64.24 H new ATOM 0 HG12 VAL A 7 1.574 -4.595 -12.585 1.00 64.24 H new ATOM 0 HG13 VAL A 7 0.702 -4.932 -11.071 1.00 64.24 H new ATOM 0 HG21 VAL A 7 2.632 -3.343 -9.264 1.00 65.31 H new ATOM 0 HG22 VAL A 7 2.032 -4.972 -8.871 1.00 65.31 H new ATOM 0 HG23 VAL A 7 3.783 -4.659 -8.932 1.00 65.31 H new ATOM 84 N THR A 8 4.273 -6.163 -13.155 1.00 23.25 N ATOM 85 CA THR A 8 4.478 -6.395 -14.579 1.00 32.13 C ATOM 86 C THR A 8 4.863 -7.845 -14.850 1.00 51.21 C ATOM 87 O THR A 8 4.460 -8.426 -15.857 1.00 74.14 O ATOM 88 CB THR A 8 5.571 -5.470 -15.147 1.00 73.52 C ATOM 89 OG1 THR A 8 6.823 -5.741 -14.507 1.00 71.04 O ATOM 90 CG2 THR A 8 5.200 -4.009 -14.949 1.00 53.51 C ATOM 0 H THR A 8 5.030 -5.654 -12.698 1.00 23.25 H new ATOM 0 HA THR A 8 3.533 -6.175 -15.075 1.00 32.13 H new ATOM 0 HB THR A 8 5.661 -5.664 -16.216 1.00 73.52 H new ATOM 0 HG1 THR A 8 7.513 -5.150 -14.875 1.00 71.04 H new ATOM 0 HG21 THR A 8 5.987 -3.375 -15.358 1.00 53.51 H new ATOM 0 HG22 THR A 8 4.262 -3.799 -15.462 1.00 53.51 H new ATOM 0 HG23 THR A 8 5.085 -3.804 -13.885 1.00 53.51 H new ATOM 98 N SER A 9 5.645 -8.424 -13.945 1.00 2.13 N ATOM 99 CA SER A 9 6.087 -9.806 -14.089 1.00 4.05 C ATOM 100 C SER A 9 4.897 -10.760 -14.092 1.00 13.23 C ATOM 101 O SER A 9 4.857 -11.718 -14.863 1.00 62.33 O ATOM 102 CB SER A 9 7.049 -10.176 -12.958 1.00 31.34 C ATOM 103 OG SER A 9 8.387 -9.864 -13.303 1.00 42.12 O ATOM 0 H SER A 9 5.986 -7.958 -13.104 1.00 2.13 H new ATOM 0 HA SER A 9 6.606 -9.898 -15.043 1.00 4.05 H new ATOM 0 HB2 SER A 9 6.770 -9.641 -12.050 1.00 31.34 H new ATOM 0 HB3 SER A 9 6.966 -11.241 -12.739 1.00 31.34 H new ATOM 0 HG SER A 9 8.671 -9.060 -12.820 1.00 42.12 H new ATOM 109 N ASP A 10 3.928 -10.490 -13.224 1.00 2.44 N ATOM 110 CA ASP A 10 2.735 -11.322 -13.126 1.00 31.23 C ATOM 111 C ASP A 10 2.009 -11.391 -14.466 1.00 21.32 C ATOM 112 O ASP A 10 1.253 -12.328 -14.727 1.00 11.02 O ATOM 113 CB ASP A 10 1.794 -10.778 -12.050 1.00 1.14 C ATOM 114 CG ASP A 10 2.245 -11.141 -10.649 1.00 4.14 C ATOM 115 OD1 ASP A 10 3.437 -11.475 -10.476 1.00 75.25 O ATOM 116 OD2 ASP A 10 1.408 -11.090 -9.724 1.00 52.01 O ATOM 0 H ASP A 10 3.946 -9.701 -12.578 1.00 2.44 H new ATOM 0 HA ASP A 10 3.047 -12.329 -12.849 1.00 31.23 H new ATOM 0 HB2 ASP A 10 1.733 -9.693 -12.139 1.00 1.14 H new ATOM 0 HB3 ASP A 10 0.790 -11.168 -12.218 1.00 1.14 H new ATOM 121 N LEU A 11 2.243 -10.394 -15.311 1.00 40.05 N ATOM 122 CA LEU A 11 1.611 -10.341 -16.625 1.00 52.41 C ATOM 123 C LEU A 11 2.578 -10.795 -17.714 1.00 33.44 C ATOM 124 O LEU A 11 2.370 -10.522 -18.896 1.00 22.22 O ATOM 125 CB LEU A 11 1.123 -8.921 -16.921 1.00 21.22 C ATOM 126 CG LEU A 11 -0.134 -8.474 -16.174 1.00 2.04 C ATOM 127 CD1 LEU A 11 -0.610 -7.125 -16.690 1.00 20.04 C ATOM 128 CD2 LEU A 11 -1.234 -9.517 -16.308 1.00 64.01 C ATOM 0 H LEU A 11 2.865 -9.611 -15.110 1.00 40.05 H new ATOM 0 HA LEU A 11 0.757 -11.019 -16.617 1.00 52.41 H new ATOM 0 HB2 LEU A 11 1.928 -8.225 -16.685 1.00 21.22 H new ATOM 0 HB3 LEU A 11 0.934 -8.839 -17.991 1.00 21.22 H new ATOM 0 HG LEU A 11 0.113 -8.369 -15.117 1.00 2.04 H new ATOM 0 HD11 LEU A 11 -1.505 -6.823 -16.147 1.00 20.04 H new ATOM 0 HD12 LEU A 11 0.173 -6.381 -16.541 1.00 20.04 H new ATOM 0 HD13 LEU A 11 -0.839 -7.202 -17.753 1.00 20.04 H new ATOM 0 HD21 LEU A 11 -2.121 -9.182 -15.770 1.00 64.01 H new ATOM 0 HD22 LEU A 11 -1.479 -9.654 -17.361 1.00 64.01 H new ATOM 0 HD23 LEU A 11 -0.891 -10.463 -15.889 1.00 64.01 H new ATOM 140 N SER A 12 3.634 -11.493 -17.306 1.00 55.35 N ATOM 141 CA SER A 12 4.634 -11.985 -18.247 1.00 14.41 C ATOM 142 C SER A 12 3.984 -12.828 -19.339 1.00 75.32 C ATOM 143 O SER A 12 4.063 -12.519 -20.528 1.00 62.02 O ATOM 144 CB SER A 12 5.693 -12.809 -17.513 1.00 10.33 C ATOM 145 OG SER A 12 6.100 -13.923 -18.288 1.00 41.20 O ATOM 0 H SER A 12 3.819 -11.730 -16.331 1.00 55.35 H new ATOM 0 HA SER A 12 5.113 -11.124 -18.714 1.00 14.41 H new ATOM 0 HB2 SER A 12 6.556 -12.182 -17.291 1.00 10.33 H new ATOM 0 HB3 SER A 12 5.294 -13.152 -16.559 1.00 10.33 H new ATOM 0 HG SER A 12 6.778 -14.432 -17.797 1.00 41.20 H new ATOM 151 N PRO A 13 3.324 -13.921 -18.928 1.00 31.34 N ATOM 152 CA PRO A 13 2.646 -14.833 -19.854 1.00 43.24 C ATOM 153 C PRO A 13 1.409 -14.204 -20.485 1.00 52.33 C ATOM 154 O PRO A 13 0.875 -14.713 -21.471 1.00 41.24 O ATOM 155 CB PRO A 13 2.251 -16.014 -18.965 1.00 21.03 C ATOM 156 CG PRO A 13 2.153 -15.439 -17.594 1.00 31.43 C ATOM 157 CD PRO A 13 3.188 -14.351 -17.526 1.00 22.03 C ATOM 0 HA PRO A 13 3.284 -15.109 -20.693 1.00 43.24 H new ATOM 0 HB2 PRO A 13 1.302 -16.448 -19.281 1.00 21.03 H new ATOM 0 HB3 PRO A 13 2.995 -16.809 -19.009 1.00 21.03 H new ATOM 0 HG2 PRO A 13 1.155 -15.041 -17.408 1.00 31.43 H new ATOM 0 HG3 PRO A 13 2.338 -16.201 -16.837 1.00 31.43 H new ATOM 0 HD2 PRO A 13 2.867 -13.531 -16.884 1.00 22.03 H new ATOM 0 HD3 PRO A 13 4.132 -14.719 -17.125 1.00 22.03 H new ATOM 165 N CYS A 14 0.957 -13.094 -19.911 1.00 51.21 N ATOM 166 CA CYS A 14 -0.218 -12.394 -20.417 1.00 30.42 C ATOM 167 C CYS A 14 0.171 -11.387 -21.495 1.00 11.21 C ATOM 168 O CYS A 14 -0.633 -11.052 -22.367 1.00 24.34 O ATOM 169 CB CYS A 14 -0.944 -11.681 -19.274 1.00 42.04 C ATOM 170 SG CYS A 14 -1.533 -12.794 -17.958 1.00 50.20 S ATOM 0 H CYS A 14 1.387 -12.660 -19.094 1.00 51.21 H new ATOM 0 HA CYS A 14 -0.888 -13.132 -20.859 1.00 30.42 H new ATOM 0 HB2 CYS A 14 -0.273 -10.942 -18.837 1.00 42.04 H new ATOM 0 HB3 CYS A 14 -1.795 -11.136 -19.682 1.00 42.04 H new ATOM 175 N LEU A 15 1.408 -10.907 -21.429 1.00 52.14 N ATOM 176 CA LEU A 15 1.905 -9.938 -22.400 1.00 13.52 C ATOM 177 C LEU A 15 1.544 -10.356 -23.821 1.00 63.45 C ATOM 178 O LEU A 15 1.064 -9.548 -24.616 1.00 42.54 O ATOM 179 CB LEU A 15 3.421 -9.787 -22.269 1.00 64.22 C ATOM 180 CG LEU A 15 4.017 -8.490 -22.817 1.00 11.31 C ATOM 181 CD1 LEU A 15 3.343 -7.283 -22.182 1.00 73.31 C ATOM 182 CD2 LEU A 15 5.519 -8.450 -22.578 1.00 63.15 C ATOM 0 H LEU A 15 2.085 -11.173 -20.714 1.00 52.14 H new ATOM 0 HA LEU A 15 1.432 -8.978 -22.193 1.00 13.52 H new ATOM 0 HB2 LEU A 15 3.684 -9.867 -21.214 1.00 64.22 H new ATOM 0 HB3 LEU A 15 3.895 -10.625 -22.780 1.00 64.22 H new ATOM 0 HG LEU A 15 3.839 -8.457 -23.892 1.00 11.31 H new ATOM 0 HD11 LEU A 15 3.780 -6.369 -22.584 1.00 73.31 H new ATOM 0 HD12 LEU A 15 2.276 -7.303 -22.404 1.00 73.31 H new ATOM 0 HD13 LEU A 15 3.489 -7.311 -21.102 1.00 73.31 H new ATOM 0 HD21 LEU A 15 5.926 -7.520 -22.975 1.00 63.15 H new ATOM 0 HD22 LEU A 15 5.719 -8.506 -21.508 1.00 63.15 H new ATOM 0 HD23 LEU A 15 5.990 -9.295 -23.080 1.00 63.15 H new ATOM 194 N THR A 16 1.777 -11.627 -24.136 1.00 31.14 N ATOM 195 CA THR A 16 1.476 -12.154 -25.461 1.00 21.34 C ATOM 196 C THR A 16 0.043 -11.833 -25.868 1.00 12.21 C ATOM 197 O THR A 16 -0.190 -11.119 -26.843 1.00 54.43 O ATOM 198 CB THR A 16 1.685 -13.679 -25.519 1.00 74.31 C ATOM 199 OG1 THR A 16 3.055 -13.997 -25.252 1.00 21.00 O ATOM 200 CG2 THR A 16 1.288 -14.228 -26.881 1.00 51.14 C ATOM 0 H THR A 16 2.173 -12.310 -23.491 1.00 31.14 H new ATOM 0 HA THR A 16 2.164 -11.673 -26.156 1.00 21.34 H new ATOM 0 HB THR A 16 1.052 -14.139 -24.760 1.00 74.31 H new ATOM 0 HG1 THR A 16 3.179 -14.968 -25.289 1.00 21.00 H new ATOM 0 HG21 THR A 16 1.444 -15.307 -26.898 1.00 51.14 H new ATOM 0 HG22 THR A 16 0.236 -14.011 -27.068 1.00 51.14 H new ATOM 0 HG23 THR A 16 1.898 -13.761 -27.654 1.00 51.14 H new ATOM 208 N TYR A 17 -0.914 -12.364 -25.115 1.00 12.41 N ATOM 209 CA TYR A 17 -2.326 -12.134 -25.399 1.00 62.21 C ATOM 210 C TYR A 17 -2.660 -10.647 -25.332 1.00 73.14 C ATOM 211 O TYR A 17 -3.517 -10.157 -26.070 1.00 21.42 O ATOM 212 CB TYR A 17 -3.199 -12.909 -24.411 1.00 71.51 C ATOM 213 CG TYR A 17 -4.664 -12.543 -24.481 1.00 73.11 C ATOM 214 CD1 TYR A 17 -5.252 -11.758 -23.497 1.00 21.25 C ATOM 215 CD2 TYR A 17 -5.461 -12.982 -25.531 1.00 33.31 C ATOM 216 CE1 TYR A 17 -6.590 -11.421 -23.556 1.00 35.32 C ATOM 217 CE2 TYR A 17 -6.800 -12.649 -25.599 1.00 72.22 C ATOM 218 CZ TYR A 17 -7.360 -11.869 -24.609 1.00 52.22 C ATOM 219 OH TYR A 17 -8.694 -11.536 -24.673 1.00 1.02 O ATOM 0 H TYR A 17 -0.738 -12.956 -24.304 1.00 12.41 H new ATOM 0 HA TYR A 17 -2.530 -12.488 -26.409 1.00 62.21 H new ATOM 0 HB2 TYR A 17 -3.090 -13.976 -24.603 1.00 71.51 H new ATOM 0 HB3 TYR A 17 -2.836 -12.728 -23.399 1.00 71.51 H new ATOM 0 HD1 TYR A 17 -4.652 -11.405 -22.671 1.00 21.25 H new ATOM 0 HD2 TYR A 17 -5.026 -13.594 -26.307 1.00 33.31 H new ATOM 0 HE1 TYR A 17 -7.031 -10.810 -22.782 1.00 35.32 H new ATOM 0 HE2 TYR A 17 -7.405 -12.998 -26.423 1.00 72.22 H new ATOM 0 HH TYR A 17 -9.091 -11.930 -25.477 1.00 1.02 H new ATOM 229 N LEU A 18 -1.978 -9.933 -24.444 1.00 20.42 N ATOM 230 CA LEU A 18 -2.201 -8.501 -24.279 1.00 65.15 C ATOM 231 C LEU A 18 -1.656 -7.725 -25.475 1.00 14.15 C ATOM 232 O LEU A 18 -2.091 -6.607 -25.753 1.00 41.30 O ATOM 233 CB LEU A 18 -1.539 -8.007 -22.992 1.00 13.42 C ATOM 234 CG LEU A 18 -2.208 -8.437 -21.686 1.00 13.42 C ATOM 235 CD1 LEU A 18 -1.486 -7.832 -20.492 1.00 14.42 C ATOM 236 CD2 LEU A 18 -3.677 -8.037 -21.682 1.00 63.01 C ATOM 0 H LEU A 18 -1.265 -10.322 -23.827 1.00 20.42 H new ATOM 0 HA LEU A 18 -3.276 -8.330 -24.216 1.00 65.15 H new ATOM 0 HB2 LEU A 18 -0.507 -8.357 -22.981 1.00 13.42 H new ATOM 0 HB3 LEU A 18 -1.506 -6.918 -23.019 1.00 13.42 H new ATOM 0 HG LEU A 18 -2.147 -9.523 -21.609 1.00 13.42 H new ATOM 0 HD11 LEU A 18 -1.976 -8.149 -19.572 1.00 14.42 H new ATOM 0 HD12 LEU A 18 -0.449 -8.168 -20.485 1.00 14.42 H new ATOM 0 HD13 LEU A 18 -1.514 -6.745 -20.562 1.00 14.42 H new ATOM 0 HD21 LEU A 18 -4.137 -8.351 -20.745 1.00 63.01 H new ATOM 0 HD22 LEU A 18 -3.760 -6.955 -21.782 1.00 63.01 H new ATOM 0 HD23 LEU A 18 -4.187 -8.519 -22.516 1.00 63.01 H new ATOM 248 N THR A 19 -0.704 -8.326 -26.180 1.00 64.23 N ATOM 249 CA THR A 19 -0.101 -7.693 -27.346 1.00 43.40 C ATOM 250 C THR A 19 -0.765 -8.165 -28.634 1.00 31.40 C ATOM 251 O THR A 19 -0.139 -8.194 -29.693 1.00 11.23 O ATOM 252 CB THR A 19 1.410 -7.983 -27.425 1.00 0.43 C ATOM 253 OG1 THR A 19 1.635 -9.395 -27.500 1.00 14.21 O ATOM 254 CG2 THR A 19 2.134 -7.413 -26.214 1.00 42.54 C ATOM 0 H THR A 19 -0.333 -9.251 -25.964 1.00 64.23 H new ATOM 0 HA THR A 19 -0.252 -6.619 -27.235 1.00 43.40 H new ATOM 0 HB THR A 19 1.803 -7.505 -28.322 1.00 0.43 H new ATOM 0 HG1 THR A 19 0.783 -9.868 -27.397 1.00 14.21 H new ATOM 0 HG21 THR A 19 3.199 -7.630 -26.292 1.00 42.54 H new ATOM 0 HG22 THR A 19 1.985 -6.334 -26.176 1.00 42.54 H new ATOM 0 HG23 THR A 19 1.737 -7.866 -25.306 1.00 42.54 H new ATOM 262 N GLY A 20 -2.038 -8.536 -28.536 1.00 54.24 N ATOM 263 CA GLY A 20 -2.767 -9.002 -29.702 1.00 22.02 C ATOM 264 C GLY A 20 -2.588 -10.488 -29.941 1.00 31.21 C ATOM 265 O GLY A 20 -3.170 -11.049 -30.868 1.00 62.24 O ATOM 0 H GLY A 20 -2.578 -8.522 -27.670 1.00 54.24 H new ATOM 0 HA2 GLY A 20 -3.827 -8.782 -29.576 1.00 22.02 H new ATOM 0 HA3 GLY A 20 -2.430 -8.452 -30.581 1.00 22.02 H new ATOM 269 N GLY A 21 -1.779 -11.128 -29.102 1.00 21.11 N ATOM 270 CA GLY A 21 -1.538 -12.552 -29.245 1.00 32.14 C ATOM 271 C GLY A 21 -2.732 -13.387 -28.825 1.00 41.21 C ATOM 272 O GLY A 21 -3.746 -12.868 -28.357 1.00 44.02 O ATOM 0 H GLY A 21 -1.286 -10.686 -28.326 1.00 21.11 H new ATOM 0 HA2 GLY A 21 -1.291 -12.773 -30.283 1.00 32.14 H new ATOM 0 HA3 GLY A 21 -0.673 -12.833 -28.645 1.00 32.14 H new ATOM 276 N PRO A 22 -2.620 -14.713 -28.994 1.00 13.21 N ATOM 277 CA PRO A 22 -3.690 -15.649 -28.637 1.00 32.05 C ATOM 278 C PRO A 22 -3.885 -15.759 -27.128 1.00 42.41 C ATOM 279 O PRO A 22 -2.944 -15.577 -26.356 1.00 52.43 O ATOM 280 CB PRO A 22 -3.202 -16.981 -29.211 1.00 32.31 C ATOM 281 CG PRO A 22 -1.719 -16.851 -29.263 1.00 51.34 C ATOM 282 CD PRO A 22 -1.441 -15.400 -29.546 1.00 21.20 C ATOM 0 HA PRO A 22 -4.657 -15.330 -29.026 1.00 32.05 H new ATOM 0 HB2 PRO A 22 -3.504 -17.818 -28.581 1.00 32.31 H new ATOM 0 HB3 PRO A 22 -3.619 -17.161 -30.202 1.00 32.31 H new ATOM 0 HG2 PRO A 22 -1.267 -17.158 -28.320 1.00 51.34 H new ATOM 0 HG3 PRO A 22 -1.298 -17.488 -30.041 1.00 51.34 H new ATOM 0 HD2 PRO A 22 -0.521 -15.066 -29.067 1.00 21.20 H new ATOM 0 HD3 PRO A 22 -1.330 -15.213 -30.614 1.00 21.20 H new ATOM 290 N GLY A 23 -5.112 -16.058 -26.714 1.00 55.04 N ATOM 291 CA GLY A 23 -5.408 -16.187 -25.299 1.00 44.03 C ATOM 292 C GLY A 23 -6.801 -15.703 -24.951 1.00 52.22 C ATOM 293 O GLY A 23 -7.680 -15.605 -25.808 1.00 63.12 O ATOM 0 H GLY A 23 -5.907 -16.213 -27.334 1.00 55.04 H new ATOM 0 HA2 GLY A 23 -5.305 -17.231 -25.003 1.00 44.03 H new ATOM 0 HA3 GLY A 23 -4.676 -15.620 -24.725 1.00 44.03 H new ATOM 297 N PRO A 24 -7.020 -15.391 -23.665 1.00 25.40 N ATOM 298 CA PRO A 24 -5.982 -15.504 -22.636 1.00 24.41 C ATOM 299 C PRO A 24 -5.628 -16.955 -22.326 1.00 44.14 C ATOM 300 O PRO A 24 -6.505 -17.772 -22.047 1.00 40.12 O ATOM 301 CB PRO A 24 -6.619 -14.837 -21.415 1.00 30.24 C ATOM 302 CG PRO A 24 -8.087 -14.978 -21.629 1.00 4.31 C ATOM 303 CD PRO A 24 -8.297 -14.906 -23.116 1.00 43.41 C ATOM 0 HA PRO A 24 -5.045 -15.044 -22.950 1.00 24.41 H new ATOM 0 HB2 PRO A 24 -6.305 -15.322 -20.490 1.00 30.24 H new ATOM 0 HB3 PRO A 24 -6.329 -13.789 -21.340 1.00 30.24 H new ATOM 0 HG2 PRO A 24 -8.451 -15.924 -21.229 1.00 4.31 H new ATOM 0 HG3 PRO A 24 -8.634 -14.185 -21.119 1.00 4.31 H new ATOM 0 HD2 PRO A 24 -9.133 -15.528 -23.434 1.00 43.41 H new ATOM 0 HD3 PRO A 24 -8.514 -13.889 -23.442 1.00 43.41 H new ATOM 311 N SER A 25 -4.337 -17.268 -22.377 1.00 62.14 N ATOM 312 CA SER A 25 -3.867 -18.622 -22.106 1.00 13.45 C ATOM 313 C SER A 25 -4.139 -19.010 -20.655 1.00 43.32 C ATOM 314 O SER A 25 -4.412 -18.166 -19.801 1.00 24.32 O ATOM 315 CB SER A 25 -2.371 -18.735 -22.404 1.00 52.33 C ATOM 316 OG SER A 25 -1.720 -17.489 -22.225 1.00 23.10 O ATOM 0 H SER A 25 -3.598 -16.603 -22.603 1.00 62.14 H new ATOM 0 HA SER A 25 -4.412 -19.307 -22.756 1.00 13.45 H new ATOM 0 HB2 SER A 25 -1.922 -19.481 -21.749 1.00 52.33 H new ATOM 0 HB3 SER A 25 -2.226 -19.081 -23.427 1.00 52.33 H new ATOM 0 HG SER A 25 -0.765 -17.588 -22.420 1.00 23.10 H new ATOM 322 N PRO A 26 -4.062 -20.318 -20.369 1.00 52.15 N ATOM 323 CA PRO A 26 -4.296 -20.849 -19.023 1.00 64.13 C ATOM 324 C PRO A 26 -3.184 -20.472 -18.050 1.00 43.34 C ATOM 325 O PRO A 26 -3.419 -20.327 -16.851 1.00 74.42 O ATOM 326 CB PRO A 26 -4.325 -22.364 -19.240 1.00 20.20 C ATOM 327 CG PRO A 26 -3.516 -22.587 -20.471 1.00 1.41 C ATOM 328 CD PRO A 26 -3.742 -21.379 -21.339 1.00 24.35 C ATOM 0 HA PRO A 26 -5.209 -20.450 -18.580 1.00 64.13 H new ATOM 0 HB2 PRO A 26 -3.902 -22.894 -18.387 1.00 20.20 H new ATOM 0 HB3 PRO A 26 -5.345 -22.726 -19.366 1.00 20.20 H new ATOM 0 HG2 PRO A 26 -2.459 -22.701 -20.228 1.00 1.41 H new ATOM 0 HG3 PRO A 26 -3.826 -23.498 -20.982 1.00 1.41 H new ATOM 0 HD2 PRO A 26 -2.856 -21.134 -21.925 1.00 24.35 H new ATOM 0 HD3 PRO A 26 -4.557 -21.538 -22.045 1.00 24.35 H new ATOM 336 N GLN A 27 -1.973 -20.313 -18.575 1.00 50.13 N ATOM 337 CA GLN A 27 -0.825 -19.952 -17.752 1.00 32.24 C ATOM 338 C GLN A 27 -0.857 -18.470 -17.393 1.00 22.32 C ATOM 339 O GLN A 27 -0.352 -18.063 -16.346 1.00 61.11 O ATOM 340 CB GLN A 27 0.477 -20.285 -18.481 1.00 45.22 C ATOM 341 CG GLN A 27 0.579 -21.739 -18.912 1.00 42.03 C ATOM 342 CD GLN A 27 1.827 -22.021 -19.725 1.00 44.33 C ATOM 343 OE1 GLN A 27 2.824 -22.520 -19.202 1.00 34.44 O ATOM 344 NE2 GLN A 27 1.780 -21.701 -21.013 1.00 70.23 N ATOM 0 H GLN A 27 -1.762 -20.429 -19.566 1.00 50.13 H new ATOM 0 HA GLN A 27 -0.874 -20.531 -16.830 1.00 32.24 H new ATOM 0 HB2 GLN A 27 0.564 -19.647 -19.361 1.00 45.22 H new ATOM 0 HB3 GLN A 27 1.319 -20.048 -17.830 1.00 45.22 H new ATOM 0 HG2 GLN A 27 0.574 -22.377 -18.028 1.00 42.03 H new ATOM 0 HG3 GLN A 27 -0.300 -22.002 -19.500 1.00 42.03 H new ATOM 0 HE21 GLN A 27 0.933 -21.289 -21.406 1.00 70.23 H new ATOM 0 HE22 GLN A 27 2.591 -21.867 -21.610 1.00 70.23 H new ATOM 353 N CYS A 28 -1.453 -17.667 -18.268 1.00 21.41 N ATOM 354 CA CYS A 28 -1.550 -16.230 -18.045 1.00 12.03 C ATOM 355 C CYS A 28 -2.561 -15.917 -16.945 1.00 71.41 C ATOM 356 O CYS A 28 -2.264 -15.180 -16.004 1.00 60.44 O ATOM 357 CB CYS A 28 -1.951 -15.518 -19.338 1.00 43.22 C ATOM 358 SG CYS A 28 -2.867 -13.965 -19.079 1.00 5.40 S ATOM 0 H CYS A 28 -1.876 -17.988 -19.139 1.00 21.41 H new ATOM 0 HA CYS A 28 -0.571 -15.870 -17.728 1.00 12.03 H new ATOM 0 HB2 CYS A 28 -1.052 -15.305 -19.916 1.00 43.22 H new ATOM 0 HB3 CYS A 28 -2.563 -16.193 -19.937 1.00 43.22 H new ATOM 363 N CYS A 29 -3.757 -16.483 -17.070 1.00 61.23 N ATOM 364 CA CYS A 29 -4.813 -16.266 -16.089 1.00 23.03 C ATOM 365 C CYS A 29 -4.300 -16.519 -14.674 1.00 33.13 C ATOM 366 O CYS A 29 -4.711 -15.852 -13.725 1.00 22.21 O ATOM 367 CB CYS A 29 -6.006 -17.178 -16.382 1.00 24.13 C ATOM 368 SG CYS A 29 -7.094 -16.574 -17.712 1.00 32.33 S ATOM 0 H CYS A 29 -4.019 -17.096 -17.842 1.00 61.23 H new ATOM 0 HA CYS A 29 -5.134 -15.227 -16.160 1.00 23.03 H new ATOM 0 HB2 CYS A 29 -5.636 -18.167 -16.651 1.00 24.13 H new ATOM 0 HB3 CYS A 29 -6.593 -17.294 -15.471 1.00 24.13 H new ATOM 373 N GLY A 30 -3.400 -17.488 -14.541 1.00 23.33 N ATOM 374 CA GLY A 30 -2.846 -17.813 -13.239 1.00 43.42 C ATOM 375 C GLY A 30 -2.239 -16.606 -12.551 1.00 25.44 C ATOM 376 O GLY A 30 -2.424 -16.409 -11.351 1.00 14.13 O ATOM 0 H GLY A 30 -3.044 -18.054 -15.311 1.00 23.33 H new ATOM 0 HA2 GLY A 30 -3.630 -18.231 -12.608 1.00 43.42 H new ATOM 0 HA3 GLY A 30 -2.084 -18.584 -13.354 1.00 43.42 H new ATOM 380 N GLY A 31 -1.508 -15.797 -13.312 1.00 72.32 N ATOM 381 CA GLY A 31 -0.881 -14.615 -12.750 1.00 71.32 C ATOM 382 C GLY A 31 -1.872 -13.496 -12.500 1.00 75.34 C ATOM 383 O GLY A 31 -1.813 -12.823 -11.472 1.00 14.35 O ATOM 0 H GLY A 31 -1.339 -15.939 -14.308 1.00 72.32 H new ATOM 0 HA2 GLY A 31 -0.391 -14.878 -11.813 1.00 71.32 H new ATOM 0 HA3 GLY A 31 -0.104 -14.263 -13.428 1.00 71.32 H new ATOM 387 N VAL A 32 -2.786 -13.295 -13.445 1.00 32.33 N ATOM 388 CA VAL A 32 -3.795 -12.249 -13.323 1.00 24.44 C ATOM 389 C VAL A 32 -4.511 -12.331 -11.980 1.00 34.35 C ATOM 390 O VAL A 32 -4.699 -11.321 -11.301 1.00 30.55 O ATOM 391 CB VAL A 32 -4.836 -12.339 -14.454 1.00 41.10 C ATOM 392 CG1 VAL A 32 -5.888 -11.252 -14.299 1.00 12.53 C ATOM 393 CG2 VAL A 32 -4.156 -12.244 -15.812 1.00 32.43 C ATOM 0 H VAL A 32 -2.848 -13.843 -14.303 1.00 32.33 H new ATOM 0 HA VAL A 32 -3.273 -11.295 -13.395 1.00 24.44 H new ATOM 0 HB VAL A 32 -5.335 -13.306 -14.389 1.00 41.10 H new ATOM 0 HG11 VAL A 32 -6.615 -11.331 -15.107 1.00 12.53 H new ATOM 0 HG12 VAL A 32 -6.395 -11.371 -13.342 1.00 12.53 H new ATOM 0 HG13 VAL A 32 -5.409 -10.274 -14.337 1.00 12.53 H new ATOM 0 HG21 VAL A 32 -4.906 -12.309 -16.600 1.00 32.43 H new ATOM 0 HG22 VAL A 32 -3.630 -11.292 -15.890 1.00 32.43 H new ATOM 0 HG23 VAL A 32 -3.444 -13.062 -15.920 1.00 32.43 H new ATOM 403 N LYS A 33 -4.910 -13.541 -11.601 1.00 12.23 N ATOM 404 CA LYS A 33 -5.605 -13.757 -10.337 1.00 53.04 C ATOM 405 C LYS A 33 -4.700 -13.427 -9.155 1.00 31.11 C ATOM 406 O LYS A 33 -5.133 -12.812 -8.180 1.00 74.04 O ATOM 407 CB LYS A 33 -6.085 -15.207 -10.237 1.00 51.22 C ATOM 408 CG LYS A 33 -7.064 -15.601 -11.330 1.00 45.52 C ATOM 409 CD LYS A 33 -6.850 -17.037 -11.779 1.00 13.45 C ATOM 410 CE LYS A 33 -7.872 -17.451 -12.826 1.00 51.13 C ATOM 411 NZ LYS A 33 -8.758 -18.543 -12.336 1.00 63.11 N ATOM 0 H LYS A 33 -4.764 -14.387 -12.151 1.00 12.23 H new ATOM 0 HA LYS A 33 -6.468 -13.092 -10.307 1.00 53.04 H new ATOM 0 HB2 LYS A 33 -5.221 -15.870 -10.278 1.00 51.22 H new ATOM 0 HB3 LYS A 33 -6.557 -15.358 -9.266 1.00 51.22 H new ATOM 0 HG2 LYS A 33 -8.084 -15.481 -10.966 1.00 45.52 H new ATOM 0 HG3 LYS A 33 -6.948 -14.931 -12.182 1.00 45.52 H new ATOM 0 HD2 LYS A 33 -5.845 -17.146 -12.187 1.00 13.45 H new ATOM 0 HD3 LYS A 33 -6.919 -17.703 -10.919 1.00 13.45 H new ATOM 0 HE2 LYS A 33 -8.478 -16.588 -13.103 1.00 51.13 H new ATOM 0 HE3 LYS A 33 -7.355 -17.780 -13.728 1.00 51.13 H new ATOM 0 HZ1 LYS A 33 -9.440 -18.796 -13.079 1.00 63.11 H new ATOM 0 HZ2 LYS A 33 -8.183 -19.375 -12.096 1.00 63.11 H new ATOM 0 HZ3 LYS A 33 -9.271 -18.221 -11.490 1.00 63.11 H new ATOM 425 N LYS A 34 -3.440 -13.839 -9.247 1.00 51.33 N ATOM 426 CA LYS A 34 -2.472 -13.585 -8.187 1.00 10.10 C ATOM 427 C LYS A 34 -2.228 -12.089 -8.020 1.00 3.50 C ATOM 428 O LYS A 34 -2.094 -11.592 -6.901 1.00 22.03 O ATOM 429 CB LYS A 34 -1.152 -14.297 -8.492 1.00 32.00 C ATOM 430 CG LYS A 34 -0.060 -14.016 -7.474 1.00 73.41 C ATOM 431 CD LYS A 34 0.897 -15.189 -7.346 1.00 65.12 C ATOM 432 CE LYS A 34 0.380 -16.227 -6.362 1.00 55.13 C ATOM 433 NZ LYS A 34 0.283 -15.681 -4.980 1.00 24.40 N ATOM 0 H LYS A 34 -3.065 -14.351 -10.046 1.00 51.33 H new ATOM 0 HA LYS A 34 -2.881 -13.975 -7.255 1.00 10.10 H new ATOM 0 HB2 LYS A 34 -1.330 -15.372 -8.534 1.00 32.00 H new ATOM 0 HB3 LYS A 34 -0.804 -13.992 -9.479 1.00 32.00 H new ATOM 0 HG2 LYS A 34 0.493 -13.124 -7.769 1.00 73.41 H new ATOM 0 HG3 LYS A 34 -0.511 -13.805 -6.504 1.00 73.41 H new ATOM 0 HD2 LYS A 34 1.040 -15.652 -8.323 1.00 65.12 H new ATOM 0 HD3 LYS A 34 1.872 -14.830 -7.018 1.00 65.12 H new ATOM 0 HE2 LYS A 34 -0.601 -16.576 -6.684 1.00 55.13 H new ATOM 0 HE3 LYS A 34 1.043 -17.092 -6.365 1.00 55.13 H new ATOM 0 HZ1 LYS A 34 0.836 -16.277 -4.332 1.00 24.40 H new ATOM 0 HZ2 LYS A 34 0.657 -14.711 -4.963 1.00 24.40 H new ATOM 0 HZ3 LYS A 34 -0.712 -15.674 -4.679 1.00 24.40 H new ATOM 447 N LEU A 35 -2.172 -11.374 -9.139 1.00 21.52 N ATOM 448 CA LEU A 35 -1.945 -9.934 -9.116 1.00 53.53 C ATOM 449 C LEU A 35 -3.127 -9.206 -8.482 1.00 63.41 C ATOM 450 O LEU A 35 -2.955 -8.406 -7.561 1.00 74.24 O ATOM 451 CB LEU A 35 -1.713 -9.412 -10.535 1.00 42.33 C ATOM 452 CG LEU A 35 -1.800 -7.896 -10.716 1.00 14.12 C ATOM 453 CD1 LEU A 35 -0.855 -7.189 -9.758 1.00 4.33 C ATOM 454 CD2 LEU A 35 -1.490 -7.511 -12.155 1.00 75.41 C ATOM 0 H LEU A 35 -2.281 -11.769 -10.073 1.00 21.52 H new ATOM 0 HA LEU A 35 -1.057 -9.741 -8.514 1.00 53.53 H new ATOM 0 HB2 LEU A 35 -0.728 -9.741 -10.865 1.00 42.33 H new ATOM 0 HB3 LEU A 35 -2.443 -9.879 -11.196 1.00 42.33 H new ATOM 0 HG LEU A 35 -2.818 -7.581 -10.488 1.00 14.12 H new ATOM 0 HD11 LEU A 35 -0.931 -6.111 -9.901 1.00 4.33 H new ATOM 0 HD12 LEU A 35 -1.124 -7.438 -8.732 1.00 4.33 H new ATOM 0 HD13 LEU A 35 0.168 -7.510 -9.953 1.00 4.33 H new ATOM 0 HD21 LEU A 35 -1.557 -6.429 -12.265 1.00 75.41 H new ATOM 0 HD22 LEU A 35 -0.483 -7.840 -12.411 1.00 75.41 H new ATOM 0 HD23 LEU A 35 -2.208 -7.988 -12.822 1.00 75.41 H new ATOM 466 N LEU A 36 -4.325 -9.491 -8.979 1.00 15.03 N ATOM 467 CA LEU A 36 -5.537 -8.866 -8.459 1.00 41.12 C ATOM 468 C LEU A 36 -5.790 -9.286 -7.015 1.00 33.30 C ATOM 469 O LEU A 36 -6.270 -8.496 -6.203 1.00 55.12 O ATOM 470 CB LEU A 36 -6.739 -9.237 -9.329 1.00 33.21 C ATOM 471 CG LEU A 36 -6.754 -8.648 -10.740 1.00 34.40 C ATOM 472 CD1 LEU A 36 -7.836 -9.307 -11.582 1.00 33.13 C ATOM 473 CD2 LEU A 36 -6.961 -7.142 -10.687 1.00 3.41 C ATOM 0 H LEU A 36 -4.484 -10.150 -9.741 1.00 15.03 H new ATOM 0 HA LEU A 36 -5.398 -7.785 -8.484 1.00 41.12 H new ATOM 0 HB2 LEU A 36 -6.782 -10.323 -9.410 1.00 33.21 H new ATOM 0 HB3 LEU A 36 -7.646 -8.919 -8.815 1.00 33.21 H new ATOM 0 HG LEU A 36 -5.789 -8.846 -11.206 1.00 34.40 H new ATOM 0 HD11 LEU A 36 -7.832 -8.875 -12.583 1.00 33.13 H new ATOM 0 HD12 LEU A 36 -7.644 -10.378 -11.648 1.00 33.13 H new ATOM 0 HD13 LEU A 36 -8.809 -9.141 -11.119 1.00 33.13 H new ATOM 0 HD21 LEU A 36 -6.969 -6.740 -11.700 1.00 3.41 H new ATOM 0 HD22 LEU A 36 -7.912 -6.922 -10.202 1.00 3.41 H new ATOM 0 HD23 LEU A 36 -6.150 -6.683 -10.121 1.00 3.41 H new ATOM 485 N ALA A 37 -5.462 -10.535 -6.702 1.00 31.45 N ATOM 486 CA ALA A 37 -5.650 -11.060 -5.354 1.00 51.54 C ATOM 487 C ALA A 37 -4.766 -10.326 -4.352 1.00 25.42 C ATOM 488 O ALA A 37 -5.069 -10.280 -3.160 1.00 41.31 O ATOM 489 CB ALA A 37 -5.360 -12.553 -5.324 1.00 12.21 C ATOM 0 H ALA A 37 -5.065 -11.203 -7.363 1.00 31.45 H new ATOM 0 HA ALA A 37 -6.689 -10.898 -5.068 1.00 51.54 H new ATOM 0 HB1 ALA A 37 -5.504 -12.931 -4.312 1.00 12.21 H new ATOM 0 HB2 ALA A 37 -6.037 -13.069 -6.004 1.00 12.21 H new ATOM 0 HB3 ALA A 37 -4.330 -12.730 -5.634 1.00 12.21 H new ATOM 495 N ALA A 38 -3.670 -9.756 -4.842 1.00 52.35 N ATOM 496 CA ALA A 38 -2.742 -9.024 -3.989 1.00 54.22 C ATOM 497 C ALA A 38 -3.215 -7.591 -3.766 1.00 72.31 C ATOM 498 O ALA A 38 -3.063 -7.040 -2.676 1.00 73.24 O ATOM 499 CB ALA A 38 -1.347 -9.033 -4.597 1.00 14.33 C ATOM 0 H ALA A 38 -3.403 -9.787 -5.826 1.00 52.35 H new ATOM 0 HA ALA A 38 -2.707 -9.522 -3.020 1.00 54.22 H new ATOM 0 HB1 ALA A 38 -0.664 -8.483 -3.949 1.00 14.33 H new ATOM 0 HB2 ALA A 38 -1.001 -10.062 -4.699 1.00 14.33 H new ATOM 0 HB3 ALA A 38 -1.375 -8.561 -5.579 1.00 14.33 H new ATOM 505 N ALA A 39 -3.788 -6.994 -4.806 1.00 12.54 N ATOM 506 CA ALA A 39 -4.284 -5.625 -4.722 1.00 72.42 C ATOM 507 C ALA A 39 -5.596 -5.563 -3.947 1.00 71.54 C ATOM 508 O ALA A 39 -6.654 -5.304 -4.520 1.00 21.44 O ATOM 509 CB ALA A 39 -4.464 -5.043 -6.116 1.00 73.44 C ATOM 0 H ALA A 39 -3.920 -7.436 -5.716 1.00 12.54 H new ATOM 0 HA ALA A 39 -3.546 -5.030 -4.184 1.00 72.42 H new ATOM 0 HB1 ALA A 39 -4.835 -4.021 -6.038 1.00 73.44 H new ATOM 0 HB2 ALA A 39 -3.506 -5.043 -6.637 1.00 73.44 H new ATOM 0 HB3 ALA A 39 -5.180 -5.647 -6.673 1.00 73.44 H new ATOM 515 N ASN A 40 -5.519 -5.804 -2.643 1.00 13.35 N ATOM 516 CA ASN A 40 -6.702 -5.776 -1.789 1.00 61.34 C ATOM 517 C ASN A 40 -6.819 -4.439 -1.065 1.00 52.30 C ATOM 518 O ASN A 40 -7.850 -4.133 -0.465 1.00 12.31 O ATOM 519 CB ASN A 40 -6.649 -6.917 -0.771 1.00 65.35 C ATOM 520 CG ASN A 40 -7.660 -8.007 -1.071 1.00 12.25 C ATOM 521 OD1 ASN A 40 -7.408 -8.897 -1.882 1.00 73.43 O ATOM 522 ND2 ASN A 40 -8.813 -7.940 -0.414 1.00 63.02 N ATOM 0 H ASN A 40 -4.651 -6.021 -2.154 1.00 13.35 H new ATOM 0 HA ASN A 40 -7.580 -5.904 -2.423 1.00 61.34 H new ATOM 0 HB2 ASN A 40 -5.647 -7.347 -0.763 1.00 65.35 H new ATOM 0 HB3 ASN A 40 -6.833 -6.519 0.227 1.00 65.35 H new ATOM 0 HD21 ASN A 40 -9.533 -8.645 -0.573 1.00 63.02 H new ATOM 0 HD22 ASN A 40 -8.979 -7.183 0.250 1.00 63.02 H new ATOM 529 N THR A 41 -5.755 -3.644 -1.126 1.00 14.33 N ATOM 530 CA THR A 41 -5.738 -2.339 -0.476 1.00 30.32 C ATOM 531 C THR A 41 -5.858 -1.214 -1.497 1.00 71.34 C ATOM 532 O THR A 41 -5.685 -1.430 -2.698 1.00 4.45 O ATOM 533 CB THR A 41 -4.450 -2.137 0.344 1.00 21.43 C ATOM 534 OG1 THR A 41 -3.426 -3.021 -0.126 1.00 32.31 O ATOM 535 CG2 THR A 41 -4.705 -2.389 1.823 1.00 64.12 C ATOM 0 H THR A 41 -4.894 -3.881 -1.619 1.00 14.33 H new ATOM 0 HA THR A 41 -6.596 -2.309 0.195 1.00 30.32 H new ATOM 0 HB THR A 41 -4.124 -1.105 0.218 1.00 21.43 H new ATOM 0 HG1 THR A 41 -2.674 -3.014 0.502 1.00 32.31 H new ATOM 0 HG21 THR A 41 -3.781 -2.240 2.382 1.00 64.12 H new ATOM 0 HG22 THR A 41 -5.464 -1.695 2.185 1.00 64.12 H new ATOM 0 HG23 THR A 41 -5.053 -3.412 1.963 1.00 64.12 H new ATOM 543 N THR A 42 -6.156 -0.012 -1.015 1.00 4.23 N ATOM 544 CA THR A 42 -6.299 1.147 -1.886 1.00 53.51 C ATOM 545 C THR A 42 -4.972 1.510 -2.542 1.00 70.24 C ATOM 546 O THR A 42 -4.868 1.631 -3.763 1.00 53.31 O ATOM 547 CB THR A 42 -6.827 2.370 -1.112 1.00 1.21 C ATOM 548 OG1 THR A 42 -8.252 2.296 -0.992 1.00 1.50 O ATOM 549 CG2 THR A 42 -6.438 3.663 -1.813 1.00 11.34 C ATOM 0 H THR A 42 -6.303 0.184 -0.025 1.00 4.23 H new ATOM 0 HA THR A 42 -7.020 0.875 -2.657 1.00 53.51 H new ATOM 0 HB THR A 42 -6.379 2.365 -0.118 1.00 1.21 H new ATOM 0 HG1 THR A 42 -8.580 3.076 -0.497 1.00 1.50 H new ATOM 0 HG21 THR A 42 -6.822 4.513 -1.248 1.00 11.34 H new ATOM 0 HG22 THR A 42 -5.352 3.730 -1.876 1.00 11.34 H new ATOM 0 HG23 THR A 42 -6.861 3.674 -2.817 1.00 11.34 H new ATOM 557 N PRO A 43 -3.931 1.687 -1.715 1.00 62.54 N ATOM 558 CA PRO A 43 -2.590 2.036 -2.194 1.00 52.42 C ATOM 559 C PRO A 43 -1.925 0.888 -2.945 1.00 3.10 C ATOM 560 O PRO A 43 -0.874 1.064 -3.563 1.00 33.25 O ATOM 561 CB PRO A 43 -1.824 2.349 -0.906 1.00 61.53 C ATOM 562 CG PRO A 43 -2.533 1.578 0.153 1.00 73.42 C ATOM 563 CD PRO A 43 -3.982 1.558 -0.249 1.00 71.24 C ATOM 0 HA PRO A 43 -2.613 2.863 -2.904 1.00 52.42 H new ATOM 0 HB2 PRO A 43 -0.779 2.047 -0.983 1.00 61.53 H new ATOM 0 HB3 PRO A 43 -1.832 3.417 -0.690 1.00 61.53 H new ATOM 0 HG2 PRO A 43 -2.136 0.566 0.231 1.00 73.42 H new ATOM 0 HG3 PRO A 43 -2.405 2.047 1.129 1.00 73.42 H new ATOM 0 HD2 PRO A 43 -4.471 0.633 0.056 1.00 71.24 H new ATOM 0 HD3 PRO A 43 -4.537 2.378 0.207 1.00 71.24 H new ATOM 571 N ASP A 44 -2.543 -0.286 -2.888 1.00 64.51 N ATOM 572 CA ASP A 44 -2.011 -1.464 -3.564 1.00 44.24 C ATOM 573 C ASP A 44 -2.520 -1.542 -5.000 1.00 70.32 C ATOM 574 O ASP A 44 -1.793 -1.952 -5.905 1.00 75.55 O ATOM 575 CB ASP A 44 -2.396 -2.733 -2.803 1.00 61.23 C ATOM 576 CG ASP A 44 -1.360 -3.125 -1.768 1.00 45.23 C ATOM 577 OD1 ASP A 44 -1.130 -4.339 -1.588 1.00 33.24 O ATOM 578 OD2 ASP A 44 -0.777 -2.217 -1.140 1.00 11.34 O ATOM 0 H ASP A 44 -3.413 -0.448 -2.381 1.00 64.51 H new ATOM 0 HA ASP A 44 -0.924 -1.380 -3.587 1.00 44.24 H new ATOM 0 HB2 ASP A 44 -3.357 -2.581 -2.311 1.00 61.23 H new ATOM 0 HB3 ASP A 44 -2.526 -3.552 -3.511 1.00 61.23 H new ATOM 583 N ARG A 45 -3.773 -1.148 -5.200 1.00 52.44 N ATOM 584 CA ARG A 45 -4.381 -1.176 -6.526 1.00 5.45 C ATOM 585 C ARG A 45 -3.867 -0.023 -7.383 1.00 54.42 C ATOM 586 O ARG A 45 -3.553 -0.204 -8.559 1.00 62.10 O ATOM 587 CB ARG A 45 -5.904 -1.103 -6.413 1.00 54.21 C ATOM 588 CG ARG A 45 -6.487 -2.068 -5.394 1.00 23.14 C ATOM 589 CD ARG A 45 -7.512 -2.996 -6.027 1.00 11.50 C ATOM 590 NE ARG A 45 -8.545 -3.399 -5.077 1.00 72.41 N ATOM 591 CZ ARG A 45 -9.691 -3.967 -5.435 1.00 74.43 C ATOM 592 NH1 ARG A 45 -9.949 -4.198 -6.715 1.00 54.43 N ATOM 593 NH2 ARG A 45 -10.582 -4.307 -4.512 1.00 50.21 N ATOM 0 H ARG A 45 -4.387 -0.806 -4.461 1.00 52.44 H new ATOM 0 HA ARG A 45 -4.104 -2.114 -7.006 1.00 5.45 H new ATOM 0 HB2 ARG A 45 -6.191 -0.087 -6.144 1.00 54.21 H new ATOM 0 HB3 ARG A 45 -6.342 -1.310 -7.389 1.00 54.21 H new ATOM 0 HG2 ARG A 45 -5.685 -2.658 -4.950 1.00 23.14 H new ATOM 0 HG3 ARG A 45 -6.954 -1.506 -4.585 1.00 23.14 H new ATOM 0 HD2 ARG A 45 -7.976 -2.497 -6.878 1.00 11.50 H new ATOM 0 HD3 ARG A 45 -7.009 -3.882 -6.413 1.00 11.50 H new ATOM 0 HE ARG A 45 -8.377 -3.235 -4.084 1.00 72.41 H new ATOM 0 HH11 ARG A 45 -9.267 -3.939 -7.428 1.00 54.43 H new ATOM 0 HH12 ARG A 45 -10.830 -4.634 -6.987 1.00 54.43 H new ATOM 0 HH21 ARG A 45 -10.387 -4.132 -3.526 1.00 50.21 H new ATOM 0 HH22 ARG A 45 -11.462 -4.743 -4.788 1.00 50.21 H new ATOM 607 N GLN A 46 -3.787 1.162 -6.786 1.00 43.10 N ATOM 608 CA GLN A 46 -3.313 2.344 -7.496 1.00 51.31 C ATOM 609 C GLN A 46 -1.938 2.097 -8.108 1.00 53.23 C ATOM 610 O GLN A 46 -1.729 2.322 -9.300 1.00 13.21 O ATOM 611 CB GLN A 46 -3.255 3.544 -6.549 1.00 42.45 C ATOM 612 CG GLN A 46 -4.610 3.943 -5.988 1.00 72.11 C ATOM 613 CD GLN A 46 -4.550 5.216 -5.167 1.00 33.32 C ATOM 614 OE1 GLN A 46 -5.471 6.033 -5.200 1.00 5.34 O ATOM 615 NE2 GLN A 46 -3.464 5.390 -4.423 1.00 41.44 N ATOM 0 H GLN A 46 -4.044 1.329 -5.813 1.00 43.10 H new ATOM 0 HA GLN A 46 -4.015 2.559 -8.301 1.00 51.31 H new ATOM 0 HB2 GLN A 46 -2.583 3.312 -5.723 1.00 42.45 H new ATOM 0 HB3 GLN A 46 -2.826 4.394 -7.079 1.00 42.45 H new ATOM 0 HG2 GLN A 46 -5.314 4.078 -6.809 1.00 72.11 H new ATOM 0 HG3 GLN A 46 -4.995 3.133 -5.368 1.00 72.11 H new ATOM 0 HE21 GLN A 46 -2.725 4.687 -4.426 1.00 41.44 H new ATOM 0 HE22 GLN A 46 -3.368 6.227 -3.848 1.00 41.44 H new ATOM 624 N ALA A 47 -1.004 1.634 -7.285 1.00 21.43 N ATOM 625 CA ALA A 47 0.350 1.355 -7.746 1.00 24.54 C ATOM 626 C ALA A 47 0.362 0.214 -8.758 1.00 12.12 C ATOM 627 O ALA A 47 0.973 0.321 -9.821 1.00 30.15 O ATOM 628 CB ALA A 47 1.252 1.024 -6.565 1.00 40.23 C ATOM 0 H ALA A 47 -1.160 1.444 -6.295 1.00 21.43 H new ATOM 0 HA ALA A 47 0.730 2.249 -8.241 1.00 24.54 H new ATOM 0 HB1 ALA A 47 2.260 0.818 -6.924 1.00 40.23 H new ATOM 0 HB2 ALA A 47 1.277 1.870 -5.878 1.00 40.23 H new ATOM 0 HB3 ALA A 47 0.865 0.147 -6.046 1.00 40.23 H new ATOM 634 N ALA A 48 -0.317 -0.877 -8.420 1.00 73.32 N ATOM 635 CA ALA A 48 -0.386 -2.037 -9.301 1.00 31.04 C ATOM 636 C ALA A 48 -0.781 -1.629 -10.716 1.00 24.20 C ATOM 637 O ALA A 48 -0.059 -1.901 -11.676 1.00 25.44 O ATOM 638 CB ALA A 48 -1.369 -3.060 -8.750 1.00 52.35 C ATOM 0 H ALA A 48 -0.827 -0.982 -7.543 1.00 73.32 H new ATOM 0 HA ALA A 48 0.605 -2.489 -9.345 1.00 31.04 H new ATOM 0 HB1 ALA A 48 -1.411 -3.921 -9.417 1.00 52.35 H new ATOM 0 HB2 ALA A 48 -1.042 -3.383 -7.761 1.00 52.35 H new ATOM 0 HB3 ALA A 48 -2.359 -2.610 -8.676 1.00 52.35 H new ATOM 644 N CYS A 49 -1.931 -0.976 -10.839 1.00 40.35 N ATOM 645 CA CYS A 49 -2.423 -0.531 -12.138 1.00 1.02 C ATOM 646 C CYS A 49 -1.443 0.442 -12.787 1.00 24.12 C ATOM 647 O CYS A 49 -0.957 0.205 -13.892 1.00 23.43 O ATOM 648 CB CYS A 49 -3.793 0.133 -11.987 1.00 70.14 C ATOM 649 SG CYS A 49 -4.516 0.710 -13.557 1.00 20.03 S ATOM 0 H CYS A 49 -2.540 -0.743 -10.055 1.00 40.35 H new ATOM 0 HA CYS A 49 -2.519 -1.406 -12.781 1.00 1.02 H new ATOM 0 HB2 CYS A 49 -4.479 -0.575 -11.522 1.00 70.14 H new ATOM 0 HB3 CYS A 49 -3.701 0.981 -11.308 1.00 70.14 H new ATOM 654 N ASN A 50 -1.157 1.538 -12.091 1.00 21.31 N ATOM 655 CA ASN A 50 -0.235 2.547 -12.599 1.00 50.11 C ATOM 656 C ASN A 50 1.044 1.901 -13.122 1.00 44.21 C ATOM 657 O ASN A 50 1.582 2.308 -14.152 1.00 44.52 O ATOM 658 CB ASN A 50 0.103 3.558 -11.501 1.00 53.04 C ATOM 659 CG ASN A 50 -1.102 4.376 -11.078 1.00 32.20 C ATOM 660 OD1 ASN A 50 -2.059 4.532 -11.837 1.00 64.54 O ATOM 661 ND2 ASN A 50 -1.061 4.903 -9.860 1.00 22.01 N ATOM 0 H ASN A 50 -1.550 1.750 -11.174 1.00 21.31 H new ATOM 0 HA ASN A 50 -0.722 3.066 -13.424 1.00 50.11 H new ATOM 0 HB2 ASN A 50 0.502 3.030 -10.635 1.00 53.04 H new ATOM 0 HB3 ASN A 50 0.887 4.227 -11.856 1.00 53.04 H new ATOM 0 HD21 ASN A 50 -1.843 5.463 -9.520 1.00 22.01 H new ATOM 0 HD22 ASN A 50 -0.248 4.748 -9.264 1.00 22.01 H new ATOM 668 N CYS A 51 1.526 0.891 -12.406 1.00 5.34 N ATOM 669 CA CYS A 51 2.742 0.188 -12.796 1.00 62.31 C ATOM 670 C CYS A 51 2.588 -0.438 -14.179 1.00 41.03 C ATOM 671 O CYS A 51 3.493 -0.362 -15.012 1.00 21.25 O ATOM 672 CB CYS A 51 3.082 -0.895 -11.770 1.00 1.34 C ATOM 673 SG CYS A 51 4.166 -0.326 -10.421 1.00 24.03 S ATOM 0 H CYS A 51 1.092 0.541 -11.552 1.00 5.34 H new ATOM 0 HA CYS A 51 3.555 0.913 -12.832 1.00 62.31 H new ATOM 0 HB2 CYS A 51 2.156 -1.278 -11.341 1.00 1.34 H new ATOM 0 HB3 CYS A 51 3.564 -1.728 -12.282 1.00 1.34 H new ATOM 678 N LEU A 52 1.437 -1.056 -14.418 1.00 15.40 N ATOM 679 CA LEU A 52 1.163 -1.695 -15.700 1.00 55.35 C ATOM 680 C LEU A 52 0.826 -0.656 -16.765 1.00 74.05 C ATOM 681 O LEU A 52 1.087 -0.859 -17.951 1.00 71.34 O ATOM 682 CB LEU A 52 0.010 -2.691 -15.560 1.00 51.44 C ATOM 683 CG LEU A 52 0.210 -3.809 -14.537 1.00 14.45 C ATOM 684 CD1 LEU A 52 -0.960 -4.780 -14.572 1.00 11.11 C ATOM 685 CD2 LEU A 52 1.520 -4.539 -14.793 1.00 53.00 C ATOM 0 H LEU A 52 0.678 -1.128 -13.740 1.00 15.40 H new ATOM 0 HA LEU A 52 2.061 -2.229 -16.011 1.00 55.35 H new ATOM 0 HB2 LEU A 52 -0.891 -2.138 -15.293 1.00 51.44 H new ATOM 0 HB3 LEU A 52 -0.172 -3.145 -16.534 1.00 51.44 H new ATOM 0 HG LEU A 52 0.255 -3.362 -13.544 1.00 14.45 H new ATOM 0 HD11 LEU A 52 -0.800 -5.569 -13.837 1.00 11.11 H new ATOM 0 HD12 LEU A 52 -1.882 -4.248 -14.338 1.00 11.11 H new ATOM 0 HD13 LEU A 52 -1.038 -5.220 -15.566 1.00 11.11 H new ATOM 0 HD21 LEU A 52 1.645 -5.331 -14.055 1.00 53.00 H new ATOM 0 HD22 LEU A 52 1.505 -4.973 -15.793 1.00 53.00 H new ATOM 0 HD23 LEU A 52 2.349 -3.836 -14.715 1.00 53.00 H new ATOM 697 N LYS A 53 0.246 0.459 -16.334 1.00 53.04 N ATOM 698 CA LYS A 53 -0.124 1.533 -17.249 1.00 72.52 C ATOM 699 C LYS A 53 1.113 2.151 -17.891 1.00 5.31 C ATOM 700 O LYS A 53 1.119 2.458 -19.083 1.00 15.30 O ATOM 701 CB LYS A 53 -0.920 2.610 -16.509 1.00 33.42 C ATOM 702 CG LYS A 53 -2.130 2.069 -15.766 1.00 52.23 C ATOM 703 CD LYS A 53 -3.403 2.793 -16.173 1.00 21.13 C ATOM 704 CE LYS A 53 -4.108 2.081 -17.317 1.00 31.42 C ATOM 705 NZ LYS A 53 -3.192 1.832 -18.464 1.00 23.51 N ATOM 0 H LYS A 53 0.022 0.643 -15.356 1.00 53.04 H new ATOM 0 HA LYS A 53 -0.746 1.107 -18.036 1.00 72.52 H new ATOM 0 HB2 LYS A 53 -0.263 3.112 -15.799 1.00 33.42 H new ATOM 0 HB3 LYS A 53 -1.250 3.362 -17.225 1.00 33.42 H new ATOM 0 HG2 LYS A 53 -2.236 1.003 -15.968 1.00 52.23 H new ATOM 0 HG3 LYS A 53 -1.977 2.176 -14.692 1.00 52.23 H new ATOM 0 HD2 LYS A 53 -4.074 2.861 -15.317 1.00 21.13 H new ATOM 0 HD3 LYS A 53 -3.163 3.814 -16.471 1.00 21.13 H new ATOM 0 HE2 LYS A 53 -4.511 1.133 -16.961 1.00 31.42 H new ATOM 0 HE3 LYS A 53 -4.954 2.681 -17.652 1.00 31.42 H new ATOM 0 HZ1 LYS A 53 -3.739 1.819 -19.349 1.00 23.51 H new ATOM 0 HZ2 LYS A 53 -2.479 2.588 -18.509 1.00 23.51 H new ATOM 0 HZ3 LYS A 53 -2.718 0.915 -18.337 1.00 23.51 H new ATOM 719 N SER A 54 2.161 2.330 -17.093 1.00 45.31 N ATOM 720 CA SER A 54 3.404 2.914 -17.583 1.00 44.53 C ATOM 721 C SER A 54 4.140 1.939 -18.496 1.00 63.44 C ATOM 722 O SER A 54 4.611 2.311 -19.571 1.00 14.22 O ATOM 723 CB SER A 54 4.304 3.311 -16.411 1.00 33.53 C ATOM 724 OG SER A 54 5.366 4.144 -16.841 1.00 71.24 O ATOM 0 H SER A 54 2.174 2.079 -16.104 1.00 45.31 H new ATOM 0 HA SER A 54 3.155 3.806 -18.158 1.00 44.53 H new ATOM 0 HB2 SER A 54 3.714 3.830 -15.655 1.00 33.53 H new ATOM 0 HB3 SER A 54 4.709 2.415 -15.940 1.00 33.53 H new ATOM 0 HG SER A 54 5.925 4.384 -16.073 1.00 71.24 H new ATOM 730 N ALA A 55 4.236 0.687 -18.060 1.00 34.00 N ATOM 731 CA ALA A 55 4.912 -0.344 -18.838 1.00 0.24 C ATOM 732 C ALA A 55 4.201 -0.585 -20.165 1.00 45.22 C ATOM 733 O ALA A 55 4.788 -1.118 -21.106 1.00 45.43 O ATOM 734 CB ALA A 55 4.997 -1.637 -18.040 1.00 13.53 C ATOM 0 H ALA A 55 3.854 0.362 -17.172 1.00 34.00 H new ATOM 0 HA ALA A 55 5.922 0.003 -19.055 1.00 0.24 H new ATOM 0 HB1 ALA A 55 5.504 -2.398 -18.633 1.00 13.53 H new ATOM 0 HB2 ALA A 55 5.556 -1.461 -17.121 1.00 13.53 H new ATOM 0 HB3 ALA A 55 3.992 -1.979 -17.794 1.00 13.53 H new ATOM 740 N ALA A 56 2.934 -0.190 -20.233 1.00 44.41 N ATOM 741 CA ALA A 56 2.145 -0.362 -21.446 1.00 15.30 C ATOM 742 C ALA A 56 2.446 0.738 -22.458 1.00 52.41 C ATOM 743 O ALA A 56 2.341 0.530 -23.666 1.00 33.20 O ATOM 744 CB ALA A 56 0.660 -0.381 -21.111 1.00 25.40 C ATOM 0 H ALA A 56 2.432 0.251 -19.462 1.00 44.41 H new ATOM 0 HA ALA A 56 2.418 -1.317 -21.895 1.00 15.30 H new ATOM 0 HB1 ALA A 56 0.082 -0.510 -22.026 1.00 25.40 H new ATOM 0 HB2 ALA A 56 0.451 -1.206 -20.430 1.00 25.40 H new ATOM 0 HB3 ALA A 56 0.382 0.560 -20.636 1.00 25.40 H new ATOM 750 N GLY A 57 2.821 1.911 -21.957 1.00 15.45 N ATOM 751 CA GLY A 57 3.130 3.027 -22.831 1.00 43.31 C ATOM 752 C GLY A 57 4.337 2.759 -23.708 1.00 71.34 C ATOM 753 O GLY A 57 4.491 3.367 -24.768 1.00 35.15 O ATOM 0 H GLY A 57 2.916 2.108 -20.961 1.00 15.45 H new ATOM 0 HA2 GLY A 57 2.267 3.241 -23.461 1.00 43.31 H new ATOM 0 HA3 GLY A 57 3.313 3.917 -22.228 1.00 43.31 H new ATOM 757 N SER A 58 5.197 1.846 -23.266 1.00 54.45 N ATOM 758 CA SER A 58 6.399 1.503 -24.016 1.00 61.43 C ATOM 759 C SER A 58 6.130 0.347 -24.975 1.00 34.20 C ATOM 760 O SER A 58 7.046 -0.170 -25.614 1.00 63.23 O ATOM 761 CB SER A 58 7.534 1.132 -23.059 1.00 40.55 C ATOM 762 OG SER A 58 8.738 0.891 -23.766 1.00 45.20 O ATOM 0 H SER A 58 5.083 1.331 -22.393 1.00 54.45 H new ATOM 0 HA SER A 58 6.695 2.375 -24.599 1.00 61.43 H new ATOM 0 HB2 SER A 58 7.686 1.937 -22.340 1.00 40.55 H new ATOM 0 HB3 SER A 58 7.259 0.244 -22.490 1.00 40.55 H new ATOM 0 HG SER A 58 8.529 0.570 -24.668 1.00 45.20 H new ATOM 768 N ILE A 59 4.866 -0.053 -25.069 1.00 70.10 N ATOM 769 CA ILE A 59 4.475 -1.147 -25.950 1.00 11.32 C ATOM 770 C ILE A 59 3.746 -0.625 -27.183 1.00 73.13 C ATOM 771 O ILE A 59 2.777 0.127 -27.074 1.00 52.44 O ATOM 772 CB ILE A 59 3.571 -2.159 -25.223 1.00 34.34 C ATOM 773 CG1 ILE A 59 4.102 -2.431 -23.814 1.00 11.33 C ATOM 774 CG2 ILE A 59 3.478 -3.453 -26.018 1.00 32.01 C ATOM 775 CD1 ILE A 59 3.286 -3.446 -23.045 1.00 73.43 C ATOM 0 H ILE A 59 4.096 0.364 -24.546 1.00 70.10 H new ATOM 0 HA ILE A 59 5.393 -1.648 -26.258 1.00 11.32 H new ATOM 0 HB ILE A 59 2.571 -1.734 -25.138 1.00 34.34 H new ATOM 0 HG12 ILE A 59 5.131 -2.783 -23.884 1.00 11.33 H new ATOM 0 HG13 ILE A 59 4.122 -1.495 -23.255 1.00 11.33 H new ATOM 0 HG21 ILE A 59 2.835 -4.158 -25.491 1.00 32.01 H new ATOM 0 HG22 ILE A 59 3.059 -3.246 -27.003 1.00 32.01 H new ATOM 0 HG23 ILE A 59 4.473 -3.883 -26.131 1.00 32.01 H new ATOM 0 HD11 ILE A 59 3.721 -3.588 -22.056 1.00 73.43 H new ATOM 0 HD12 ILE A 59 2.262 -3.087 -22.943 1.00 73.43 H new ATOM 0 HD13 ILE A 59 3.286 -4.395 -23.581 1.00 73.43 H new ATOM 787 N THR A 60 4.217 -1.031 -28.358 1.00 75.24 N ATOM 788 CA THR A 60 3.610 -0.606 -29.613 1.00 74.03 C ATOM 789 C THR A 60 2.602 -1.635 -30.113 1.00 61.02 C ATOM 790 O THR A 60 1.637 -1.293 -30.797 1.00 61.32 O ATOM 791 CB THR A 60 4.674 -0.375 -30.702 1.00 61.45 C ATOM 792 OG1 THR A 60 4.125 0.413 -31.765 1.00 24.23 O ATOM 793 CG2 THR A 60 5.178 -1.700 -31.255 1.00 44.23 C ATOM 0 H THR A 60 5.017 -1.654 -28.466 1.00 75.24 H new ATOM 0 HA THR A 60 3.096 0.334 -29.413 1.00 74.03 H new ATOM 0 HB THR A 60 5.513 0.156 -30.252 1.00 61.45 H new ATOM 0 HG1 THR A 60 4.809 0.557 -32.452 1.00 24.23 H new ATOM 0 HG21 THR A 60 5.929 -1.512 -32.023 1.00 44.23 H new ATOM 0 HG22 THR A 60 5.621 -2.285 -30.450 1.00 44.23 H new ATOM 0 HG23 THR A 60 4.345 -2.253 -31.690 1.00 44.23 H new ATOM 801 N LYS A 61 2.831 -2.897 -29.767 1.00 65.23 N ATOM 802 CA LYS A 61 1.943 -3.977 -30.179 1.00 31.40 C ATOM 803 C LYS A 61 0.898 -4.262 -29.104 1.00 64.24 C ATOM 804 O LYS A 61 0.288 -5.332 -29.086 1.00 13.33 O ATOM 805 CB LYS A 61 2.749 -5.245 -30.471 1.00 32.34 C ATOM 806 CG LYS A 61 3.366 -5.268 -31.858 1.00 43.11 C ATOM 807 CD LYS A 61 3.684 -6.685 -32.304 1.00 75.33 C ATOM 808 CE LYS A 61 2.420 -7.455 -32.656 1.00 53.13 C ATOM 809 NZ LYS A 61 2.692 -8.559 -33.617 1.00 63.24 N ATOM 0 H LYS A 61 3.625 -3.197 -29.202 1.00 65.23 H new ATOM 0 HA LYS A 61 1.428 -3.664 -31.088 1.00 31.40 H new ATOM 0 HB2 LYS A 61 3.541 -5.341 -29.729 1.00 32.34 H new ATOM 0 HB3 LYS A 61 2.099 -6.113 -30.357 1.00 32.34 H new ATOM 0 HG2 LYS A 61 2.681 -4.807 -32.569 1.00 43.11 H new ATOM 0 HG3 LYS A 61 4.278 -4.671 -31.861 1.00 43.11 H new ATOM 0 HD2 LYS A 61 4.346 -6.655 -33.169 1.00 75.33 H new ATOM 0 HD3 LYS A 61 4.220 -7.206 -31.510 1.00 75.33 H new ATOM 0 HE2 LYS A 61 1.980 -7.865 -31.747 1.00 53.13 H new ATOM 0 HE3 LYS A 61 1.687 -6.772 -33.085 1.00 53.13 H new ATOM 0 HZ1 LYS A 61 1.806 -9.059 -33.831 1.00 63.24 H new ATOM 0 HZ2 LYS A 61 3.088 -8.166 -34.494 1.00 63.24 H new ATOM 0 HZ3 LYS A 61 3.372 -9.225 -33.198 1.00 63.24 H new ATOM 823 N LEU A 62 0.697 -3.299 -28.212 1.00 32.10 N ATOM 824 CA LEU A 62 -0.276 -3.446 -27.135 1.00 3.35 C ATOM 825 C LEU A 62 -1.694 -3.526 -27.689 1.00 35.32 C ATOM 826 O LEU A 62 -1.986 -2.987 -28.755 1.00 52.12 O ATOM 827 CB LEU A 62 -0.164 -2.275 -26.157 1.00 3.41 C ATOM 828 CG LEU A 62 -1.203 -2.234 -25.036 1.00 24.43 C ATOM 829 CD1 LEU A 62 -0.999 -3.397 -24.077 1.00 63.42 C ATOM 830 CD2 LEU A 62 -1.133 -0.909 -24.291 1.00 51.14 C ATOM 0 H LEU A 62 1.194 -2.408 -28.213 1.00 32.10 H new ATOM 0 HA LEU A 62 -0.059 -4.375 -26.607 1.00 3.35 H new ATOM 0 HB2 LEU A 62 0.828 -2.299 -25.705 1.00 3.41 H new ATOM 0 HB3 LEU A 62 -0.234 -1.347 -26.724 1.00 3.41 H new ATOM 0 HG LEU A 62 -2.193 -2.325 -25.482 1.00 24.43 H new ATOM 0 HD11 LEU A 62 -1.747 -3.352 -23.286 1.00 63.42 H new ATOM 0 HD12 LEU A 62 -1.100 -4.337 -24.619 1.00 63.42 H new ATOM 0 HD13 LEU A 62 -0.003 -3.336 -23.638 1.00 63.42 H new ATOM 0 HD21 LEU A 62 -1.880 -0.898 -23.497 1.00 51.14 H new ATOM 0 HD22 LEU A 62 -0.140 -0.787 -23.857 1.00 51.14 H new ATOM 0 HD23 LEU A 62 -1.329 -0.091 -24.984 1.00 51.14 H new ATOM 842 N ASN A 63 -2.573 -4.202 -26.956 1.00 32.24 N ATOM 843 CA ASN A 63 -3.962 -4.352 -27.373 1.00 55.12 C ATOM 844 C ASN A 63 -4.912 -4.079 -26.211 1.00 33.12 C ATOM 845 O ASN A 63 -5.258 -4.984 -25.450 1.00 62.15 O ATOM 846 CB ASN A 63 -4.203 -5.759 -27.923 1.00 63.31 C ATOM 847 CG ASN A 63 -3.462 -6.006 -29.223 1.00 73.14 C ATOM 848 OD1 ASN A 63 -2.239 -5.881 -29.288 1.00 32.54 O ATOM 849 ND2 ASN A 63 -4.203 -6.358 -30.268 1.00 62.01 N ATOM 0 H ASN A 63 -2.348 -4.655 -26.070 1.00 32.24 H new ATOM 0 HA ASN A 63 -4.159 -3.623 -28.159 1.00 55.12 H new ATOM 0 HB2 ASN A 63 -3.888 -6.494 -27.183 1.00 63.31 H new ATOM 0 HB3 ASN A 63 -5.271 -5.906 -28.083 1.00 63.31 H new ATOM 0 HD21 ASN A 63 -3.761 -6.537 -31.170 1.00 62.01 H new ATOM 0 HD22 ASN A 63 -5.214 -6.450 -30.169 1.00 62.01 H new ATOM 856 N THR A 64 -5.332 -2.825 -26.079 1.00 14.42 N ATOM 857 CA THR A 64 -6.242 -2.432 -25.010 1.00 5.43 C ATOM 858 C THR A 64 -7.463 -3.342 -24.965 1.00 14.14 C ATOM 859 O THR A 64 -8.056 -3.550 -23.907 1.00 5.45 O ATOM 860 CB THR A 64 -6.708 -0.973 -25.177 1.00 21.03 C ATOM 861 OG1 THR A 64 -7.537 -0.854 -26.338 1.00 15.12 O ATOM 862 CG2 THR A 64 -5.517 -0.035 -25.300 1.00 1.23 C ATOM 0 H THR A 64 -5.056 -2.064 -26.699 1.00 14.42 H new ATOM 0 HA THR A 64 -5.690 -2.524 -24.075 1.00 5.43 H new ATOM 0 HB THR A 64 -7.280 -0.694 -24.292 1.00 21.03 H new ATOM 0 HG1 THR A 64 -7.831 0.076 -26.436 1.00 15.12 H new ATOM 0 HG21 THR A 64 -5.871 0.989 -25.417 1.00 1.23 H new ATOM 0 HG22 THR A 64 -4.903 -0.106 -24.402 1.00 1.23 H new ATOM 0 HG23 THR A 64 -4.922 -0.315 -26.169 1.00 1.23 H new ATOM 870 N ASN A 65 -7.835 -3.883 -26.120 1.00 73.12 N ATOM 871 CA ASN A 65 -8.988 -4.772 -26.212 1.00 23.20 C ATOM 872 C ASN A 65 -8.753 -6.051 -25.414 1.00 60.20 C ATOM 873 O ASN A 65 -9.644 -6.531 -24.715 1.00 13.10 O ATOM 874 CB ASN A 65 -9.278 -5.116 -27.674 1.00 64.14 C ATOM 875 CG ASN A 65 -10.245 -4.141 -28.317 1.00 11.02 C ATOM 876 OD1 ASN A 65 -9.837 -3.222 -29.027 1.00 14.30 O ATOM 877 ND2 ASN A 65 -11.535 -4.338 -28.069 1.00 41.23 N ATOM 0 H ASN A 65 -7.355 -3.722 -27.006 1.00 73.12 H new ATOM 0 HA ASN A 65 -9.849 -4.254 -25.790 1.00 23.20 H new ATOM 0 HB2 ASN A 65 -8.344 -5.120 -28.235 1.00 64.14 H new ATOM 0 HB3 ASN A 65 -9.690 -6.124 -27.732 1.00 64.14 H new ATOM 0 HD21 ASN A 65 -12.233 -3.714 -28.473 1.00 41.23 H new ATOM 0 HD22 ASN A 65 -11.827 -5.113 -27.474 1.00 41.23 H new ATOM 884 N ASN A 66 -7.546 -6.598 -25.524 1.00 14.42 N ATOM 885 CA ASN A 66 -7.194 -7.821 -24.813 1.00 2.05 C ATOM 886 C ASN A 66 -6.947 -7.539 -23.334 1.00 0.43 C ATOM 887 O ASN A 66 -7.027 -8.438 -22.498 1.00 30.12 O ATOM 888 CB ASN A 66 -5.950 -8.458 -25.436 1.00 52.21 C ATOM 889 CG ASN A 66 -6.119 -8.725 -26.919 1.00 52.44 C ATOM 890 OD1 ASN A 66 -6.427 -7.818 -27.693 1.00 70.14 O ATOM 891 ND2 ASN A 66 -5.918 -9.974 -27.322 1.00 54.12 N ATOM 0 H ASN A 66 -6.796 -6.213 -26.099 1.00 14.42 H new ATOM 0 HA ASN A 66 -8.031 -8.514 -24.898 1.00 2.05 H new ATOM 0 HB2 ASN A 66 -5.094 -7.801 -25.283 1.00 52.21 H new ATOM 0 HB3 ASN A 66 -5.729 -9.394 -24.924 1.00 52.21 H new ATOM 0 HD21 ASN A 66 -6.017 -10.214 -28.308 1.00 54.12 H new ATOM 0 HD22 ASN A 66 -5.664 -10.694 -26.645 1.00 54.12 H new ATOM 898 N ALA A 67 -6.647 -6.283 -23.019 1.00 12.33 N ATOM 899 CA ALA A 67 -6.391 -5.881 -21.641 1.00 55.22 C ATOM 900 C ALA A 67 -7.684 -5.833 -20.834 1.00 74.31 C ATOM 901 O ALA A 67 -7.705 -6.189 -19.656 1.00 74.44 O ATOM 902 CB ALA A 67 -5.695 -4.528 -21.607 1.00 33.35 C ATOM 0 H ALA A 67 -6.575 -5.526 -23.699 1.00 12.33 H new ATOM 0 HA ALA A 67 -5.737 -6.626 -21.187 1.00 55.22 H new ATOM 0 HB1 ALA A 67 -5.510 -4.240 -20.572 1.00 33.35 H new ATOM 0 HB2 ALA A 67 -4.747 -4.593 -22.141 1.00 33.35 H new ATOM 0 HB3 ALA A 67 -6.329 -3.781 -22.084 1.00 33.35 H new ATOM 908 N ALA A 68 -8.761 -5.390 -21.475 1.00 61.55 N ATOM 909 CA ALA A 68 -10.058 -5.298 -20.817 1.00 51.32 C ATOM 910 C ALA A 68 -10.701 -6.673 -20.675 1.00 30.13 C ATOM 911 O ALA A 68 -11.348 -6.965 -19.669 1.00 62.14 O ATOM 912 CB ALA A 68 -10.976 -4.361 -21.589 1.00 61.30 C ATOM 0 H ALA A 68 -8.760 -5.089 -22.450 1.00 61.55 H new ATOM 0 HA ALA A 68 -9.902 -4.894 -19.817 1.00 51.32 H new ATOM 0 HB1 ALA A 68 -11.941 -4.302 -21.086 1.00 61.30 H new ATOM 0 HB2 ALA A 68 -10.528 -3.368 -21.634 1.00 61.30 H new ATOM 0 HB3 ALA A 68 -11.117 -4.741 -22.601 1.00 61.30 H new ATOM 918 N ALA A 69 -10.519 -7.514 -21.688 1.00 12.12 N ATOM 919 CA ALA A 69 -11.081 -8.859 -21.674 1.00 43.03 C ATOM 920 C ALA A 69 -10.147 -9.837 -20.969 1.00 44.33 C ATOM 921 O ALA A 69 -10.530 -10.966 -20.662 1.00 74.10 O ATOM 922 CB ALA A 69 -11.364 -9.327 -23.094 1.00 42.01 C ATOM 0 H ALA A 69 -9.987 -7.288 -22.528 1.00 12.12 H new ATOM 0 HA ALA A 69 -12.019 -8.829 -21.119 1.00 43.03 H new ATOM 0 HB1 ALA A 69 -11.783 -10.333 -23.069 1.00 42.01 H new ATOM 0 HB2 ALA A 69 -12.075 -8.649 -23.566 1.00 42.01 H new ATOM 0 HB3 ALA A 69 -10.436 -9.335 -23.666 1.00 42.01 H new ATOM 928 N LEU A 70 -8.919 -9.397 -20.716 1.00 51.31 N ATOM 929 CA LEU A 70 -7.929 -10.234 -20.047 1.00 50.23 C ATOM 930 C LEU A 70 -8.459 -10.742 -18.711 1.00 34.14 C ATOM 931 O LEU A 70 -8.560 -11.946 -18.472 1.00 3.21 O ATOM 932 CB LEU A 70 -6.633 -9.451 -19.830 1.00 51.42 C ATOM 933 CG LEU A 70 -5.800 -9.855 -18.614 1.00 30.35 C ATOM 934 CD1 LEU A 70 -5.398 -11.319 -18.705 1.00 20.20 C ATOM 935 CD2 LEU A 70 -4.569 -8.969 -18.491 1.00 52.11 C ATOM 0 H LEU A 70 -8.585 -8.466 -20.964 1.00 51.31 H new ATOM 0 HA LEU A 70 -7.725 -11.093 -20.686 1.00 50.23 H new ATOM 0 HB2 LEU A 70 -6.014 -9.558 -20.721 1.00 51.42 H new ATOM 0 HB3 LEU A 70 -6.882 -8.394 -19.740 1.00 51.42 H new ATOM 0 HG LEU A 70 -6.409 -9.721 -17.720 1.00 30.35 H new ATOM 0 HD11 LEU A 70 -4.806 -11.589 -17.831 1.00 20.20 H new ATOM 0 HD12 LEU A 70 -6.293 -11.940 -18.743 1.00 20.20 H new ATOM 0 HD13 LEU A 70 -4.807 -11.479 -19.607 1.00 20.20 H new ATOM 0 HD21 LEU A 70 -3.988 -9.272 -17.620 1.00 52.11 H new ATOM 0 HD22 LEU A 70 -3.957 -9.070 -19.387 1.00 52.11 H new ATOM 0 HD23 LEU A 70 -4.878 -7.930 -18.378 1.00 52.11 H new ATOM 947 N PRO A 71 -8.810 -9.805 -17.818 1.00 3.35 N ATOM 948 CA PRO A 71 -9.339 -10.134 -16.491 1.00 4.24 C ATOM 949 C PRO A 71 -10.739 -10.733 -16.557 1.00 71.32 C ATOM 950 O PRO A 71 -11.143 -11.491 -15.676 1.00 70.23 O ATOM 951 CB PRO A 71 -9.370 -8.781 -15.775 1.00 44.35 C ATOM 952 CG PRO A 71 -9.475 -7.776 -16.870 1.00 40.13 C ATOM 953 CD PRO A 71 -8.717 -8.351 -18.035 1.00 22.24 C ATOM 0 HA PRO A 71 -8.732 -10.885 -15.986 1.00 4.24 H new ATOM 0 HB2 PRO A 71 -10.217 -8.713 -15.093 1.00 44.35 H new ATOM 0 HB3 PRO A 71 -8.469 -8.627 -15.181 1.00 44.35 H new ATOM 0 HG2 PRO A 71 -10.517 -7.594 -17.134 1.00 40.13 H new ATOM 0 HG3 PRO A 71 -9.052 -6.819 -16.563 1.00 40.13 H new ATOM 0 HD2 PRO A 71 -9.160 -8.058 -18.987 1.00 22.24 H new ATOM 0 HD3 PRO A 71 -7.681 -8.012 -18.047 1.00 22.24 H new ATOM 961 N GLY A 72 -11.476 -10.389 -17.609 1.00 13.32 N ATOM 962 CA GLY A 72 -12.824 -10.903 -17.771 1.00 2.54 C ATOM 963 C GLY A 72 -12.843 -12.372 -18.143 1.00 12.20 C ATOM 964 O GLY A 72 -13.498 -13.179 -17.483 1.00 53.13 O ATOM 0 H GLY A 72 -11.164 -9.764 -18.352 1.00 13.32 H new ATOM 0 HA2 GLY A 72 -13.378 -10.759 -16.844 1.00 2.54 H new ATOM 0 HA3 GLY A 72 -13.338 -10.329 -18.542 1.00 2.54 H new ATOM 968 N LYS A 73 -12.124 -12.721 -19.205 1.00 14.05 N ATOM 969 CA LYS A 73 -12.061 -14.103 -19.665 1.00 51.13 C ATOM 970 C LYS A 73 -11.478 -15.010 -18.587 1.00 1.15 C ATOM 971 O LYS A 73 -11.671 -16.226 -18.612 1.00 54.20 O ATOM 972 CB LYS A 73 -11.218 -14.199 -20.939 1.00 25.45 C ATOM 973 CG LYS A 73 -12.017 -14.001 -22.215 1.00 33.35 C ATOM 974 CD LYS A 73 -11.901 -12.577 -22.730 1.00 43.32 C ATOM 975 CE LYS A 73 -12.606 -12.409 -24.067 1.00 50.53 C ATOM 976 NZ LYS A 73 -13.994 -12.948 -24.034 1.00 43.30 N ATOM 0 H LYS A 73 -11.577 -12.066 -19.763 1.00 14.05 H new ATOM 0 HA LYS A 73 -13.076 -14.434 -19.882 1.00 51.13 H new ATOM 0 HB2 LYS A 73 -10.426 -13.452 -20.897 1.00 25.45 H new ATOM 0 HB3 LYS A 73 -10.734 -15.175 -20.971 1.00 25.45 H new ATOM 0 HG2 LYS A 73 -11.664 -14.695 -22.978 1.00 33.35 H new ATOM 0 HG3 LYS A 73 -13.065 -14.238 -22.030 1.00 33.35 H new ATOM 0 HD2 LYS A 73 -12.331 -11.889 -22.002 1.00 43.32 H new ATOM 0 HD3 LYS A 73 -10.849 -12.312 -22.836 1.00 43.32 H new ATOM 0 HE2 LYS A 73 -12.633 -11.352 -24.333 1.00 50.53 H new ATOM 0 HE3 LYS A 73 -12.037 -12.919 -24.844 1.00 50.53 H new ATOM 0 HZ1 LYS A 73 -14.502 -12.652 -24.892 1.00 43.30 H new ATOM 0 HZ2 LYS A 73 -13.962 -13.987 -23.991 1.00 43.30 H new ATOM 0 HZ3 LYS A 73 -14.489 -12.582 -23.195 1.00 43.30 H new ATOM 990 N CYS A 74 -10.765 -14.411 -17.639 1.00 25.33 N ATOM 991 CA CYS A 74 -10.154 -15.164 -16.550 1.00 21.41 C ATOM 992 C CYS A 74 -11.088 -15.234 -15.345 1.00 52.44 C ATOM 993 O CYS A 74 -10.664 -15.549 -14.235 1.00 1.04 O ATOM 994 CB CYS A 74 -8.825 -14.525 -16.142 1.00 61.13 C ATOM 995 SG CYS A 74 -7.518 -14.657 -17.405 1.00 14.21 S ATOM 0 H CYS A 74 -10.596 -13.406 -17.603 1.00 25.33 H new ATOM 0 HA CYS A 74 -9.969 -16.178 -16.903 1.00 21.41 H new ATOM 0 HB2 CYS A 74 -8.994 -13.472 -15.918 1.00 61.13 H new ATOM 0 HB3 CYS A 74 -8.476 -14.994 -15.222 1.00 61.13 H new ATOM 1000 N GLY A 75 -12.364 -14.936 -15.575 1.00 22.32 N ATOM 1001 CA GLY A 75 -13.338 -14.971 -14.500 1.00 53.40 C ATOM 1002 C GLY A 75 -12.951 -14.078 -13.338 1.00 32.24 C ATOM 1003 O GLY A 75 -12.603 -14.564 -12.261 1.00 64.15 O ATOM 0 H GLY A 75 -12.740 -14.671 -16.486 1.00 22.32 H new ATOM 0 HA2 GLY A 75 -14.310 -14.661 -14.884 1.00 53.40 H new ATOM 0 HA3 GLY A 75 -13.447 -15.996 -14.146 1.00 53.40 H new ATOM 1007 N VAL A 76 -13.010 -12.768 -13.554 1.00 54.10 N ATOM 1008 CA VAL A 76 -12.663 -11.805 -12.516 1.00 24.11 C ATOM 1009 C VAL A 76 -13.658 -10.651 -12.481 1.00 42.22 C ATOM 1010 O VAL A 76 -14.196 -10.251 -13.513 1.00 11.14 O ATOM 1011 CB VAL A 76 -11.245 -11.240 -12.726 1.00 72.34 C ATOM 1012 CG1 VAL A 76 -10.803 -10.439 -11.511 1.00 75.21 C ATOM 1013 CG2 VAL A 76 -10.263 -12.364 -13.021 1.00 3.34 C ATOM 0 H VAL A 76 -13.295 -12.349 -14.439 1.00 54.10 H new ATOM 0 HA VAL A 76 -12.697 -12.338 -11.566 1.00 24.11 H new ATOM 0 HB VAL A 76 -11.263 -10.569 -13.585 1.00 72.34 H new ATOM 0 HG11 VAL A 76 -9.799 -10.048 -11.678 1.00 75.21 H new ATOM 0 HG12 VAL A 76 -11.493 -9.611 -11.351 1.00 75.21 H new ATOM 0 HG13 VAL A 76 -10.800 -11.083 -10.632 1.00 75.21 H new ATOM 0 HG21 VAL A 76 -9.266 -11.947 -13.167 1.00 3.34 H new ATOM 0 HG22 VAL A 76 -10.246 -13.061 -12.183 1.00 3.34 H new ATOM 0 HG23 VAL A 76 -10.572 -12.890 -13.924 1.00 3.34 H new ATOM 1132 N SER A 83 -9.993 1.477 -18.878 1.00 25.11 N ATOM 1133 CA SER A 83 -9.595 2.577 -19.749 1.00 72.41 C ATOM 1134 C SER A 83 -8.151 2.989 -19.480 1.00 31.42 C ATOM 1135 O SER A 83 -7.821 3.469 -18.395 1.00 34.12 O ATOM 1136 CB SER A 83 -10.525 3.775 -19.549 1.00 71.04 C ATOM 1137 OG SER A 83 -11.482 3.515 -18.537 1.00 4.04 O ATOM 0 HA SER A 83 -9.670 2.236 -20.781 1.00 72.41 H new ATOM 0 HB2 SER A 83 -9.938 4.654 -19.282 1.00 71.04 H new ATOM 0 HB3 SER A 83 -11.034 4.004 -20.485 1.00 71.04 H new ATOM 0 HG SER A 83 -11.388 2.590 -18.228 1.00 4.04 H new ATOM 1143 N THR A 84 -7.292 2.797 -20.476 1.00 50.23 N ATOM 1144 CA THR A 84 -5.883 3.147 -20.348 1.00 70.14 C ATOM 1145 C THR A 84 -5.709 4.635 -20.068 1.00 51.23 C ATOM 1146 O THR A 84 -4.654 5.072 -19.608 1.00 1.33 O ATOM 1147 CB THR A 84 -5.095 2.780 -21.620 1.00 54.03 C ATOM 1148 OG1 THR A 84 -5.763 3.298 -22.776 1.00 50.14 O ATOM 1149 CG2 THR A 84 -4.946 1.272 -21.748 1.00 72.51 C ATOM 0 H THR A 84 -7.548 2.401 -21.381 1.00 50.23 H new ATOM 0 HA THR A 84 -5.490 2.574 -19.508 1.00 70.14 H new ATOM 0 HB THR A 84 -4.102 3.222 -21.546 1.00 54.03 H new ATOM 0 HG1 THR A 84 -5.255 3.062 -23.580 1.00 50.14 H new ATOM 0 HG21 THR A 84 -4.386 1.037 -22.653 1.00 72.51 H new ATOM 0 HG22 THR A 84 -4.412 0.884 -20.881 1.00 72.51 H new ATOM 0 HG23 THR A 84 -5.933 0.812 -21.802 1.00 72.51 H new ATOM 1157 N THR A 85 -6.752 5.411 -20.348 1.00 44.34 N ATOM 1158 CA THR A 85 -6.714 6.851 -20.127 1.00 42.20 C ATOM 1159 C THR A 85 -7.158 7.202 -18.711 1.00 64.34 C ATOM 1160 O THR A 85 -6.977 8.331 -18.254 1.00 31.20 O ATOM 1161 CB THR A 85 -7.610 7.598 -21.133 1.00 44.13 C ATOM 1162 OG1 THR A 85 -8.978 7.218 -20.947 1.00 44.14 O ATOM 1163 CG2 THR A 85 -7.184 7.298 -22.563 1.00 14.13 C ATOM 0 H THR A 85 -7.633 5.066 -20.728 1.00 44.34 H new ATOM 0 HA THR A 85 -5.680 7.165 -20.269 1.00 42.20 H new ATOM 0 HB THR A 85 -7.504 8.668 -20.956 1.00 44.13 H new ATOM 0 HG1 THR A 85 -9.541 7.699 -21.589 1.00 44.14 H new ATOM 0 HG21 THR A 85 -7.831 7.836 -23.256 1.00 14.13 H new ATOM 0 HG22 THR A 85 -6.152 7.615 -22.709 1.00 14.13 H new ATOM 0 HG23 THR A 85 -7.264 6.227 -22.749 1.00 14.13 H new ATOM 1171 N THR A 86 -7.739 6.226 -18.020 1.00 10.42 N ATOM 1172 CA THR A 86 -8.209 6.432 -16.656 1.00 11.03 C ATOM 1173 C THR A 86 -7.045 6.460 -15.671 1.00 54.25 C ATOM 1174 O THR A 86 -6.065 5.735 -15.834 1.00 34.41 O ATOM 1175 CB THR A 86 -9.199 5.331 -16.231 1.00 14.42 C ATOM 1176 OG1 THR A 86 -10.342 5.340 -17.094 1.00 42.32 O ATOM 1177 CG2 THR A 86 -9.645 5.531 -14.790 1.00 41.00 C ATOM 0 H THR A 86 -7.895 5.286 -18.383 1.00 10.42 H new ATOM 0 HA THR A 86 -8.719 7.395 -16.640 1.00 11.03 H new ATOM 0 HB THR A 86 -8.693 4.369 -16.308 1.00 14.42 H new ATOM 0 HG1 THR A 86 -10.672 4.425 -17.209 1.00 42.32 H new ATOM 0 HG21 THR A 86 -10.344 4.742 -14.512 1.00 41.00 H new ATOM 0 HG22 THR A 86 -8.777 5.495 -14.132 1.00 41.00 H new ATOM 0 HG23 THR A 86 -10.135 6.500 -14.692 1.00 41.00 H new ATOM 1185 N ASN A 87 -7.161 7.302 -14.650 1.00 3.52 N ATOM 1186 CA ASN A 87 -6.117 7.425 -13.638 1.00 71.35 C ATOM 1187 C ASN A 87 -6.368 6.465 -12.479 1.00 13.51 C ATOM 1188 O ASN A 87 -7.233 6.706 -11.636 1.00 1.22 O ATOM 1189 CB ASN A 87 -6.047 8.862 -13.120 1.00 5.33 C ATOM 1190 CG ASN A 87 -4.634 9.277 -12.756 1.00 20.15 C ATOM 1191 OD1 ASN A 87 -3.725 8.448 -12.709 1.00 4.35 O ATOM 1192 ND2 ASN A 87 -4.444 10.565 -12.495 1.00 51.24 N ATOM 0 H ASN A 87 -7.967 7.909 -14.501 1.00 3.52 H new ATOM 0 HA ASN A 87 -5.164 7.167 -14.100 1.00 71.35 H new ATOM 0 HB2 ASN A 87 -6.437 9.539 -13.880 1.00 5.33 H new ATOM 0 HB3 ASN A 87 -6.689 8.962 -12.245 1.00 5.33 H new ATOM 0 HD21 ASN A 87 -3.515 10.903 -12.243 1.00 51.24 H new ATOM 0 HD22 ASN A 87 -5.227 11.217 -12.546 1.00 51.24 H new ATOM 1199 N CYS A 88 -5.606 5.378 -12.443 1.00 33.54 N ATOM 1200 CA CYS A 88 -5.745 4.381 -11.387 1.00 42.23 C ATOM 1201 C CYS A 88 -5.197 4.910 -10.065 1.00 22.22 C ATOM 1202 O CYS A 88 -5.324 4.263 -9.026 1.00 1.30 O ATOM 1203 CB CYS A 88 -5.017 3.093 -11.775 1.00 62.40 C ATOM 1204 SG CYS A 88 -5.759 2.216 -13.188 1.00 74.54 S ATOM 0 H CYS A 88 -4.885 5.164 -13.133 1.00 33.54 H new ATOM 0 HA CYS A 88 -6.806 4.167 -11.260 1.00 42.23 H new ATOM 0 HB2 CYS A 88 -3.981 3.332 -12.013 1.00 62.40 H new ATOM 0 HB3 CYS A 88 -5.000 2.424 -10.914 1.00 62.40 H new ATOM 1209 N ASN A 89 -4.587 6.090 -10.113 1.00 32.13 N ATOM 1210 CA ASN A 89 -4.019 6.706 -8.919 1.00 34.21 C ATOM 1211 C ASN A 89 -5.099 7.413 -8.106 1.00 12.13 C ATOM 1212 O ASN A 89 -4.874 7.803 -6.959 1.00 74.32 O ATOM 1213 CB ASN A 89 -2.923 7.700 -9.305 1.00 43.22 C ATOM 1214 CG ASN A 89 -3.469 9.091 -9.567 1.00 21.50 C ATOM 1215 OD1 ASN A 89 -4.593 9.248 -10.044 1.00 2.42 O ATOM 1216 ND2 ASN A 89 -2.673 10.107 -9.255 1.00 71.04 N ATOM 0 H ASN A 89 -4.473 6.639 -10.965 1.00 32.13 H new ATOM 0 HA ASN A 89 -3.585 5.917 -8.305 1.00 34.21 H new ATOM 0 HB2 ASN A 89 -2.182 7.748 -8.507 1.00 43.22 H new ATOM 0 HB3 ASN A 89 -2.408 7.341 -10.196 1.00 43.22 H new ATOM 0 HD21 ASN A 89 -2.986 11.066 -9.409 1.00 71.04 H new ATOM 0 HD22 ASN A 89 -1.749 9.929 -8.862 1.00 71.04 H new ATOM 1223 N THR A 90 -6.274 7.576 -8.707 1.00 21.23 N ATOM 1224 CA THR A 90 -7.389 8.236 -8.040 1.00 2.23 C ATOM 1225 C THR A 90 -8.515 7.252 -7.746 1.00 22.43 C ATOM 1226 O THR A 90 -9.692 7.612 -7.773 1.00 44.42 O ATOM 1227 CB THR A 90 -7.944 9.395 -8.888 1.00 53.44 C ATOM 1228 OG1 THR A 90 -8.257 8.932 -10.207 1.00 24.43 O ATOM 1229 CG2 THR A 90 -6.940 10.535 -8.971 1.00 12.20 C ATOM 0 H THR A 90 -6.478 7.260 -9.655 1.00 21.23 H new ATOM 0 HA THR A 90 -7.004 8.634 -7.101 1.00 2.23 H new ATOM 0 HB THR A 90 -8.850 9.764 -8.408 1.00 53.44 H new ATOM 0 HG1 THR A 90 -8.611 9.675 -10.739 1.00 24.43 H new ATOM 0 HG21 THR A 90 -7.355 11.342 -9.575 1.00 12.20 H new ATOM 0 HG22 THR A 90 -6.726 10.905 -7.968 1.00 12.20 H new ATOM 0 HG23 THR A 90 -6.019 10.176 -9.429 1.00 12.20 H new ATOM 1237 N VAL A 91 -8.147 6.006 -7.464 1.00 21.24 N ATOM 1238 CA VAL A 91 -9.127 4.969 -7.162 1.00 64.13 C ATOM 1239 C VAL A 91 -8.999 4.495 -5.719 1.00 14.42 C ATOM 1240 O VAL A 91 -7.894 4.344 -5.198 1.00 50.21 O ATOM 1241 CB VAL A 91 -8.971 3.760 -8.103 1.00 73.54 C ATOM 1242 CG1 VAL A 91 -8.690 4.222 -9.525 1.00 73.41 C ATOM 1243 CG2 VAL A 91 -7.869 2.836 -7.606 1.00 40.44 C ATOM 0 H VAL A 91 -7.177 5.690 -7.438 1.00 21.24 H new ATOM 0 HA VAL A 91 -10.112 5.411 -7.310 1.00 64.13 H new ATOM 0 HB VAL A 91 -9.907 3.202 -8.106 1.00 73.54 H new ATOM 0 HG11 VAL A 91 -8.583 3.354 -10.175 1.00 73.41 H new ATOM 0 HG12 VAL A 91 -9.517 4.839 -9.877 1.00 73.41 H new ATOM 0 HG13 VAL A 91 -7.769 4.805 -9.543 1.00 73.41 H new ATOM 0 HG21 VAL A 91 -7.773 1.987 -8.283 1.00 40.44 H new ATOM 0 HG22 VAL A 91 -6.926 3.381 -7.571 1.00 40.44 H new ATOM 0 HG23 VAL A 91 -8.118 2.477 -6.607 1.00 40.44 H new