USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 835 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 135 HIS : no HD1:sc= 0.0492 X(o=-0.31,f=-0.41) USER MOD Set 1.2: A 136 SER OG : rot 84:sc= -0.356 USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= -0.0532 (180deg=-0.368) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -74:sc= 1.24 USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.05) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0742 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0363 USER MOD Single : A 40 ASN : amide:sc= -1.21! C(o=-1.2!,f=-6!) USER MOD Single : A 41 SER OG : rot -156:sc= 0.13 USER MOD Single : A 43 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.3!) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0.037) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.378 K(o=0.38,f=-3.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.207 K(o=-0.21,f=-2.4!) USER MOD Single : A 64 THR OG1 : rot 23:sc= 0.715 USER MOD Single : A 65 THR OG1 : rot -160:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.548 K(o=-0.55,f=-0.021) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0.0033) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -137:sc= 1.13 (180deg=0.622) USER MOD Single : A 81 LYS NZ :NH3+ 167:sc= 2.36 (180deg=2.09) USER MOD Single : A 99 TYR OH : rot 30:sc= -0.0564 USER MOD Single : A 100 LYS NZ :NH3+ 157:sc= -0.103 (180deg=-0.622) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -150:sc= -0.734 USER MOD Single : A 123 TYR OH : rot 55:sc= 1.04 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot -91:sc= 1.27 USER MOD Single : A 132 CYS SG : rot 168:sc= -4.01! USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 MET CE :methyl -158:sc= -0.4 (180deg=-1.51) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 18 -16.728 12.066 11.779 1.00 72.33 N ATOM 61 CA ASP A 18 -15.572 11.398 12.422 1.00 63.42 C ATOM 62 C ASP A 18 -15.960 10.038 12.939 1.00 4.43 C ATOM 63 O ASP A 18 -15.177 9.087 12.877 1.00 12.33 O ATOM 64 CB ASP A 18 -15.015 12.229 13.557 1.00 23.52 C ATOM 65 CG ASP A 18 -13.816 11.579 14.244 1.00 3.54 C ATOM 66 OD1 ASP A 18 -12.683 11.664 13.716 1.00 71.30 O ATOM 67 OD2 ASP A 18 -13.971 11.018 15.357 1.00 54.24 O ATOM 0 HA ASP A 18 -14.800 11.286 11.661 1.00 63.42 H new ATOM 0 HB2 ASP A 18 -14.721 13.206 13.173 1.00 23.52 H new ATOM 0 HB3 ASP A 18 -15.800 12.399 14.294 1.00 23.52 H new ATOM 72 N LEU A 19 -17.196 9.938 13.391 1.00 73.41 N ATOM 73 CA LEU A 19 -17.740 8.708 13.910 1.00 42.15 C ATOM 74 C LEU A 19 -17.801 7.713 12.763 1.00 22.14 C ATOM 75 O LEU A 19 -17.469 6.545 12.922 1.00 24.32 O ATOM 76 CB LEU A 19 -19.147 8.989 14.522 1.00 25.21 C ATOM 77 CG LEU A 19 -19.875 7.866 15.314 1.00 1.12 C ATOM 78 CD1 LEU A 19 -20.332 6.719 14.427 1.00 55.10 C ATOM 79 CD2 LEU A 19 -18.990 7.351 16.426 1.00 15.01 C ATOM 0 H LEU A 19 -17.853 10.718 13.406 1.00 73.41 H new ATOM 0 HA LEU A 19 -17.119 8.292 14.704 1.00 42.15 H new ATOM 0 HB2 LEU A 19 -19.049 9.847 15.187 1.00 25.21 H new ATOM 0 HB3 LEU A 19 -19.804 9.292 13.706 1.00 25.21 H new ATOM 0 HG LEU A 19 -20.774 8.311 15.740 1.00 1.12 H new ATOM 0 HD11 LEU A 19 -20.833 5.966 15.035 1.00 55.10 H new ATOM 0 HD12 LEU A 19 -21.023 7.095 13.673 1.00 55.10 H new ATOM 0 HD13 LEU A 19 -19.468 6.272 13.936 1.00 55.10 H new ATOM 0 HD21 LEU A 19 -19.512 6.565 16.972 1.00 15.01 H new ATOM 0 HD22 LEU A 19 -18.070 6.948 16.002 1.00 15.01 H new ATOM 0 HD23 LEU A 19 -18.749 8.167 17.107 1.00 15.01 H new ATOM 91 N ASP A 20 -18.148 8.211 11.600 1.00 63.22 N ATOM 92 CA ASP A 20 -18.258 7.367 10.414 1.00 72.34 C ATOM 93 C ASP A 20 -16.873 6.935 9.951 1.00 31.11 C ATOM 94 O ASP A 20 -16.684 5.814 9.493 1.00 45.23 O ATOM 95 CB ASP A 20 -19.024 8.075 9.284 1.00 10.15 C ATOM 96 CG ASP A 20 -19.235 7.190 8.067 1.00 72.30 C ATOM 97 OD1 ASP A 20 -19.989 6.198 8.158 1.00 14.23 O ATOM 98 OD2 ASP A 20 -18.692 7.492 6.980 1.00 30.42 O ATOM 0 H ASP A 20 -18.361 9.196 11.440 1.00 63.22 H new ATOM 0 HA ASP A 20 -18.831 6.479 10.680 1.00 72.34 H new ATOM 0 HB2 ASP A 20 -19.993 8.404 9.660 1.00 10.15 H new ATOM 0 HB3 ASP A 20 -18.477 8.969 8.986 1.00 10.15 H new ATOM 103 N VAL A 21 -15.905 7.826 10.113 1.00 25.35 N ATOM 104 CA VAL A 21 -14.505 7.546 9.791 1.00 53.11 C ATOM 105 C VAL A 21 -13.966 6.418 10.665 1.00 63.00 C ATOM 106 O VAL A 21 -13.508 5.389 10.153 1.00 74.45 O ATOM 107 CB VAL A 21 -13.605 8.815 9.956 1.00 21.21 C ATOM 108 CG1 VAL A 21 -12.131 8.494 9.731 1.00 32.31 C ATOM 109 CG2 VAL A 21 -14.045 9.902 8.999 1.00 15.14 C ATOM 0 H VAL A 21 -16.065 8.767 10.472 1.00 25.35 H new ATOM 0 HA VAL A 21 -14.472 7.240 8.745 1.00 53.11 H new ATOM 0 HB VAL A 21 -13.721 9.166 10.981 1.00 21.21 H new ATOM 0 HG11 VAL A 21 -11.538 9.400 9.854 1.00 32.31 H new ATOM 0 HG12 VAL A 21 -11.807 7.747 10.455 1.00 32.31 H new ATOM 0 HG13 VAL A 21 -11.993 8.105 8.722 1.00 32.31 H new ATOM 0 HG21 VAL A 21 -13.409 10.778 9.126 1.00 15.14 H new ATOM 0 HG22 VAL A 21 -13.963 9.540 7.974 1.00 15.14 H new ATOM 0 HG23 VAL A 21 -15.080 10.172 9.206 1.00 15.14 H new ATOM 119 N LYS A 22 -14.060 6.583 11.973 1.00 25.12 N ATOM 120 CA LYS A 22 -13.541 5.579 12.878 1.00 53.42 C ATOM 121 C LYS A 22 -14.398 4.328 12.876 1.00 1.44 C ATOM 122 O LYS A 22 -13.918 3.252 13.158 1.00 74.24 O ATOM 123 CB LYS A 22 -13.291 6.157 14.285 1.00 25.23 C ATOM 124 CG LYS A 22 -14.499 6.788 14.978 1.00 44.11 C ATOM 125 CD LYS A 22 -15.362 5.776 15.729 1.00 3.41 C ATOM 126 CE LYS A 22 -14.656 5.243 16.971 1.00 54.02 C ATOM 127 NZ LYS A 22 -14.364 6.323 17.950 1.00 14.32 N ATOM 0 H LYS A 22 -14.485 7.392 12.425 1.00 25.12 H new ATOM 0 HA LYS A 22 -12.564 5.267 12.510 1.00 53.42 H new ATOM 0 HB2 LYS A 22 -12.909 5.358 14.921 1.00 25.23 H new ATOM 0 HB3 LYS A 22 -12.506 6.909 14.212 1.00 25.23 H new ATOM 0 HG2 LYS A 22 -14.152 7.548 15.677 1.00 44.11 H new ATOM 0 HG3 LYS A 22 -15.112 7.296 14.233 1.00 44.11 H new ATOM 0 HD2 LYS A 22 -16.303 6.244 16.018 1.00 3.41 H new ATOM 0 HD3 LYS A 22 -15.609 4.946 15.067 1.00 3.41 H new ATOM 0 HE2 LYS A 22 -15.278 4.483 17.444 1.00 54.02 H new ATOM 0 HE3 LYS A 22 -13.725 4.757 16.679 1.00 54.02 H new ATOM 0 HZ1 LYS A 22 -14.156 5.903 18.878 1.00 14.32 H new ATOM 0 HZ2 LYS A 22 -13.542 6.872 17.626 1.00 14.32 H new ATOM 0 HZ3 LYS A 22 -15.189 6.951 18.031 1.00 14.32 H new ATOM 141 N GLY A 23 -15.666 4.485 12.536 1.00 65.12 N ATOM 142 CA GLY A 23 -16.549 3.356 12.414 1.00 43.23 C ATOM 143 C GLY A 23 -16.139 2.499 11.245 1.00 54.45 C ATOM 144 O GLY A 23 -16.102 1.282 11.344 1.00 64.35 O ATOM 0 H GLY A 23 -16.100 5.387 12.341 1.00 65.12 H new ATOM 0 HA2 GLY A 23 -16.527 2.767 13.331 1.00 43.23 H new ATOM 0 HA3 GLY A 23 -17.575 3.700 12.280 1.00 43.23 H new ATOM 148 N LEU A 24 -15.794 3.158 10.145 1.00 44.34 N ATOM 149 CA LEU A 24 -15.328 2.519 8.949 1.00 43.42 C ATOM 150 C LEU A 24 -14.014 1.809 9.224 1.00 33.12 C ATOM 151 O LEU A 24 -13.878 0.616 8.957 1.00 65.35 O ATOM 152 CB LEU A 24 -15.206 3.595 7.843 1.00 3.24 C ATOM 153 CG LEU A 24 -14.617 3.170 6.513 1.00 3.02 C ATOM 154 CD1 LEU A 24 -15.221 3.996 5.383 1.00 22.03 C ATOM 155 CD2 LEU A 24 -13.098 3.339 6.478 1.00 10.03 C ATOM 0 H LEU A 24 -15.836 4.174 10.072 1.00 44.34 H new ATOM 0 HA LEU A 24 -16.029 1.757 8.609 1.00 43.42 H new ATOM 0 HB2 LEU A 24 -16.201 3.999 7.656 1.00 3.24 H new ATOM 0 HB3 LEU A 24 -14.599 4.411 8.234 1.00 3.24 H new ATOM 0 HG LEU A 24 -14.853 2.114 6.384 1.00 3.02 H new ATOM 0 HD11 LEU A 24 -14.790 3.682 4.432 1.00 22.03 H new ATOM 0 HD12 LEU A 24 -16.300 3.846 5.360 1.00 22.03 H new ATOM 0 HD13 LEU A 24 -15.005 5.052 5.548 1.00 22.03 H new ATOM 0 HD21 LEU A 24 -12.719 3.022 5.506 1.00 10.03 H new ATOM 0 HD22 LEU A 24 -12.845 4.386 6.643 1.00 10.03 H new ATOM 0 HD23 LEU A 24 -12.646 2.729 7.260 1.00 10.03 H new ATOM 167 N GLY A 25 -13.073 2.552 9.761 1.00 75.45 N ATOM 168 CA GLY A 25 -11.775 2.013 10.123 1.00 30.45 C ATOM 169 C GLY A 25 -11.879 0.836 11.076 1.00 13.20 C ATOM 170 O GLY A 25 -11.221 -0.195 10.877 1.00 1.51 O ATOM 0 H GLY A 25 -13.182 3.546 9.960 1.00 75.45 H new ATOM 0 HA2 GLY A 25 -11.251 1.700 9.220 1.00 30.45 H new ATOM 0 HA3 GLY A 25 -11.175 2.798 10.584 1.00 30.45 H new ATOM 174 N TYR A 26 -12.719 0.968 12.089 1.00 34.11 N ATOM 175 CA TYR A 26 -12.928 -0.093 13.041 1.00 14.30 C ATOM 176 C TYR A 26 -13.596 -1.294 12.399 1.00 3.32 C ATOM 177 O TYR A 26 -13.217 -2.404 12.681 1.00 42.55 O ATOM 178 CB TYR A 26 -13.723 0.377 14.275 1.00 1.53 C ATOM 179 CG TYR A 26 -14.002 -0.731 15.281 1.00 52.03 C ATOM 180 CD1 TYR A 26 -12.959 -1.401 15.908 1.00 60.24 C ATOM 181 CD2 TYR A 26 -15.305 -1.106 15.597 1.00 31.43 C ATOM 182 CE1 TYR A 26 -13.203 -2.412 16.811 1.00 75.13 C ATOM 183 CE2 TYR A 26 -15.553 -2.120 16.507 1.00 25.44 C ATOM 184 CZ TYR A 26 -14.495 -2.769 17.108 1.00 23.31 C ATOM 185 OH TYR A 26 -14.732 -3.783 18.020 1.00 50.33 O ATOM 0 H TYR A 26 -13.268 1.809 12.268 1.00 34.11 H new ATOM 0 HA TYR A 26 -11.940 -0.397 13.386 1.00 14.30 H new ATOM 0 HB2 TYR A 26 -13.170 1.175 14.771 1.00 1.53 H new ATOM 0 HB3 TYR A 26 -14.670 0.803 13.945 1.00 1.53 H new ATOM 0 HD1 TYR A 26 -11.939 -1.124 15.684 1.00 60.24 H new ATOM 0 HD2 TYR A 26 -16.134 -0.599 15.126 1.00 31.43 H new ATOM 0 HE1 TYR A 26 -12.378 -2.924 17.285 1.00 75.13 H new ATOM 0 HE2 TYR A 26 -16.568 -2.401 16.744 1.00 25.44 H new ATOM 0 HH TYR A 26 -15.698 -3.914 18.120 1.00 50.33 H new ATOM 195 N ASP A 27 -14.565 -1.067 11.518 1.00 42.10 N ATOM 196 CA ASP A 27 -15.286 -2.167 10.877 1.00 51.41 C ATOM 197 C ASP A 27 -14.346 -2.958 9.987 1.00 34.30 C ATOM 198 O ASP A 27 -14.350 -4.190 9.981 1.00 0.12 O ATOM 199 CB ASP A 27 -16.474 -1.654 10.071 1.00 3.42 C ATOM 200 CG ASP A 27 -17.321 -2.780 9.536 1.00 52.04 C ATOM 201 OD1 ASP A 27 -17.991 -3.471 10.345 1.00 22.42 O ATOM 202 OD2 ASP A 27 -17.381 -2.965 8.316 1.00 54.21 O ATOM 0 H ASP A 27 -14.870 -0.137 11.231 1.00 42.10 H new ATOM 0 HA ASP A 27 -15.671 -2.822 11.659 1.00 51.41 H new ATOM 0 HB2 ASP A 27 -17.086 -1.007 10.699 1.00 3.42 H new ATOM 0 HB3 ASP A 27 -16.114 -1.045 9.242 1.00 3.42 H new ATOM 207 N PHE A 28 -13.502 -2.224 9.302 1.00 64.34 N ATOM 208 CA PHE A 28 -12.468 -2.756 8.446 1.00 35.34 C ATOM 209 C PHE A 28 -11.483 -3.596 9.279 1.00 53.42 C ATOM 210 O PHE A 28 -11.244 -4.768 8.992 1.00 30.22 O ATOM 211 CB PHE A 28 -11.785 -1.542 7.771 1.00 41.05 C ATOM 212 CG PHE A 28 -10.505 -1.770 7.018 1.00 50.31 C ATOM 213 CD1 PHE A 28 -9.310 -1.849 7.701 1.00 1.43 C ATOM 214 CD2 PHE A 28 -10.483 -1.842 5.633 1.00 65.15 C ATOM 215 CE1 PHE A 28 -8.126 -2.001 7.033 1.00 14.23 C ATOM 216 CE2 PHE A 28 -9.290 -1.999 4.958 1.00 70.34 C ATOM 217 CZ PHE A 28 -8.112 -2.077 5.659 1.00 61.21 C ATOM 0 H PHE A 28 -13.517 -1.204 9.326 1.00 64.34 H new ATOM 0 HA PHE A 28 -12.868 -3.421 7.681 1.00 35.34 H new ATOM 0 HB2 PHE A 28 -12.502 -1.099 7.080 1.00 41.05 H new ATOM 0 HB3 PHE A 28 -11.588 -0.800 8.544 1.00 41.05 H new ATOM 0 HD1 PHE A 28 -9.309 -1.790 8.779 1.00 1.43 H new ATOM 0 HD2 PHE A 28 -11.407 -1.775 5.078 1.00 65.15 H new ATOM 0 HE1 PHE A 28 -7.200 -2.062 7.585 1.00 14.23 H new ATOM 0 HE2 PHE A 28 -9.283 -2.060 3.880 1.00 70.34 H new ATOM 0 HZ PHE A 28 -7.176 -2.198 5.133 1.00 61.21 H new ATOM 227 N ILE A 29 -10.956 -3.006 10.327 1.00 33.22 N ATOM 228 CA ILE A 29 -10.014 -3.687 11.194 1.00 31.42 C ATOM 229 C ILE A 29 -10.662 -4.877 11.900 1.00 64.41 C ATOM 230 O ILE A 29 -10.031 -5.921 12.075 1.00 5.15 O ATOM 231 CB ILE A 29 -9.326 -2.696 12.180 1.00 3.31 C ATOM 232 CG1 ILE A 29 -8.288 -1.838 11.438 1.00 14.22 C ATOM 233 CG2 ILE A 29 -8.701 -3.381 13.400 1.00 10.20 C ATOM 234 CD1 ILE A 29 -7.209 -2.650 10.731 1.00 2.54 C ATOM 0 H ILE A 29 -11.164 -2.047 10.604 1.00 33.22 H new ATOM 0 HA ILE A 29 -9.220 -4.097 10.570 1.00 31.42 H new ATOM 0 HB ILE A 29 -10.113 -2.052 12.572 1.00 3.31 H new ATOM 0 HG12 ILE A 29 -8.802 -1.217 10.704 1.00 14.22 H new ATOM 0 HG13 ILE A 29 -7.813 -1.163 12.150 1.00 14.22 H new ATOM 0 HG21 ILE A 29 -8.240 -2.631 14.042 1.00 10.20 H new ATOM 0 HG22 ILE A 29 -9.475 -3.910 13.957 1.00 10.20 H new ATOM 0 HG23 ILE A 29 -7.943 -4.091 13.070 1.00 10.20 H new ATOM 0 HD11 ILE A 29 -6.515 -1.975 10.231 1.00 2.54 H new ATOM 0 HD12 ILE A 29 -6.668 -3.251 11.462 1.00 2.54 H new ATOM 0 HD13 ILE A 29 -7.672 -3.306 9.994 1.00 2.54 H new ATOM 246 N ASP A 30 -11.915 -4.727 12.250 1.00 32.31 N ATOM 247 CA ASP A 30 -12.710 -5.790 12.852 1.00 21.44 C ATOM 248 C ASP A 30 -12.765 -6.975 11.935 1.00 53.13 C ATOM 249 O ASP A 30 -12.358 -8.059 12.323 1.00 3.20 O ATOM 250 CB ASP A 30 -14.128 -5.290 13.169 1.00 25.43 C ATOM 251 CG ASP A 30 -15.059 -6.354 13.693 1.00 51.42 C ATOM 252 OD1 ASP A 30 -15.881 -6.892 12.913 1.00 51.20 O ATOM 253 OD2 ASP A 30 -15.025 -6.640 14.906 1.00 34.13 O ATOM 0 H ASP A 30 -12.427 -3.854 12.127 1.00 32.31 H new ATOM 0 HA ASP A 30 -12.237 -6.092 13.787 1.00 21.44 H new ATOM 0 HB2 ASP A 30 -14.062 -4.488 13.904 1.00 25.43 H new ATOM 0 HB3 ASP A 30 -14.559 -4.860 12.265 1.00 25.43 H new ATOM 258 N LEU A 31 -13.146 -6.753 10.689 1.00 71.12 N ATOM 259 CA LEU A 31 -13.292 -7.844 9.763 1.00 22.21 C ATOM 260 C LEU A 31 -11.937 -8.477 9.429 1.00 2.02 C ATOM 261 O LEU A 31 -11.851 -9.672 9.157 1.00 71.13 O ATOM 262 CB LEU A 31 -14.103 -7.421 8.523 1.00 0.34 C ATOM 263 CG LEU A 31 -13.539 -6.308 7.649 1.00 1.05 C ATOM 264 CD1 LEU A 31 -12.452 -6.818 6.733 1.00 62.25 C ATOM 265 CD2 LEU A 31 -14.639 -5.627 6.879 1.00 75.10 C ATOM 0 H LEU A 31 -13.357 -5.832 10.305 1.00 71.12 H new ATOM 0 HA LEU A 31 -13.875 -8.630 10.244 1.00 22.21 H new ATOM 0 HB2 LEU A 31 -14.240 -8.302 7.896 1.00 0.34 H new ATOM 0 HB3 LEU A 31 -15.093 -7.113 8.860 1.00 0.34 H new ATOM 0 HG LEU A 31 -13.081 -5.567 8.304 1.00 1.05 H new ATOM 0 HD11 LEU A 31 -12.074 -5.996 6.125 1.00 62.25 H new ATOM 0 HD12 LEU A 31 -11.639 -7.233 7.329 1.00 62.25 H new ATOM 0 HD13 LEU A 31 -12.858 -7.593 6.083 1.00 62.25 H new ATOM 0 HD21 LEU A 31 -14.215 -4.836 6.261 1.00 75.10 H new ATOM 0 HD22 LEU A 31 -15.141 -6.355 6.242 1.00 75.10 H new ATOM 0 HD23 LEU A 31 -15.359 -5.197 7.576 1.00 75.10 H new ATOM 277 N VAL A 32 -10.871 -7.669 9.483 1.00 4.14 N ATOM 278 CA VAL A 32 -9.526 -8.176 9.287 1.00 2.12 C ATOM 279 C VAL A 32 -9.121 -9.112 10.453 1.00 45.12 C ATOM 280 O VAL A 32 -8.441 -10.123 10.253 1.00 54.22 O ATOM 281 CB VAL A 32 -8.502 -7.000 9.135 1.00 63.22 C ATOM 282 CG1 VAL A 32 -7.061 -7.498 9.147 1.00 10.21 C ATOM 283 CG2 VAL A 32 -8.754 -6.246 7.837 1.00 34.23 C ATOM 0 H VAL A 32 -10.923 -6.666 9.661 1.00 4.14 H new ATOM 0 HA VAL A 32 -9.512 -8.755 8.364 1.00 2.12 H new ATOM 0 HB VAL A 32 -8.646 -6.337 9.988 1.00 63.22 H new ATOM 0 HG11 VAL A 32 -6.383 -6.652 9.039 1.00 10.21 H new ATOM 0 HG12 VAL A 32 -6.860 -8.007 10.090 1.00 10.21 H new ATOM 0 HG13 VAL A 32 -6.909 -8.192 8.321 1.00 10.21 H new ATOM 0 HG21 VAL A 32 -8.036 -5.432 7.744 1.00 34.23 H new ATOM 0 HG22 VAL A 32 -8.642 -6.927 6.993 1.00 34.23 H new ATOM 0 HG23 VAL A 32 -9.765 -5.839 7.843 1.00 34.23 H new ATOM 293 N THR A 33 -9.633 -8.833 11.638 1.00 33.34 N ATOM 294 CA THR A 33 -9.235 -9.563 12.830 1.00 62.25 C ATOM 295 C THR A 33 -10.356 -10.479 13.291 1.00 12.15 C ATOM 296 O THR A 33 -10.373 -10.963 14.431 1.00 52.42 O ATOM 297 CB THR A 33 -8.858 -8.568 13.952 1.00 31.21 C ATOM 298 OG1 THR A 33 -9.912 -7.594 14.122 1.00 34.11 O ATOM 299 CG2 THR A 33 -7.555 -7.850 13.620 1.00 73.22 C ATOM 0 H THR A 33 -10.327 -8.104 11.802 1.00 33.34 H new ATOM 0 HA THR A 33 -8.366 -10.177 12.594 1.00 62.25 H new ATOM 0 HB THR A 33 -8.725 -9.130 14.877 1.00 31.21 H new ATOM 0 HG1 THR A 33 -9.897 -6.962 13.373 1.00 34.11 H new ATOM 0 HG21 THR A 33 -7.308 -7.155 14.422 1.00 73.22 H new ATOM 0 HG22 THR A 33 -6.754 -8.581 13.514 1.00 73.22 H new ATOM 0 HG23 THR A 33 -7.670 -7.300 12.686 1.00 73.22 H new ATOM 307 N LYS A 34 -11.275 -10.711 12.387 1.00 32.32 N ATOM 308 CA LYS A 34 -12.463 -11.480 12.649 1.00 0.24 C ATOM 309 C LYS A 34 -12.157 -12.983 12.748 1.00 13.00 C ATOM 310 O LYS A 34 -11.031 -13.430 12.430 1.00 52.35 O ATOM 311 CB LYS A 34 -13.486 -11.183 11.554 1.00 61.15 C ATOM 312 CG LYS A 34 -14.938 -11.230 11.989 1.00 22.03 C ATOM 313 CD LYS A 34 -15.166 -10.341 13.203 1.00 5.42 C ATOM 314 CE LYS A 34 -16.631 -10.111 13.489 1.00 3.23 C ATOM 315 NZ LYS A 34 -17.254 -9.238 12.476 1.00 45.14 N ATOM 0 H LYS A 34 -11.216 -10.363 11.430 1.00 32.32 H new ATOM 0 HA LYS A 34 -12.874 -11.191 13.616 1.00 0.24 H new ATOM 0 HB2 LYS A 34 -13.279 -10.194 11.146 1.00 61.15 H new ATOM 0 HB3 LYS A 34 -13.344 -11.898 10.744 1.00 61.15 H new ATOM 0 HG2 LYS A 34 -15.579 -10.906 11.169 1.00 22.03 H new ATOM 0 HG3 LYS A 34 -15.219 -12.256 12.226 1.00 22.03 H new ATOM 0 HD2 LYS A 34 -14.697 -10.796 14.075 1.00 5.42 H new ATOM 0 HD3 LYS A 34 -14.676 -9.381 13.042 1.00 5.42 H new ATOM 0 HE2 LYS A 34 -17.152 -11.068 13.514 1.00 3.23 H new ATOM 0 HE3 LYS A 34 -16.743 -9.661 14.476 1.00 3.23 H new ATOM 0 HZ1 LYS A 34 -18.251 -9.075 12.724 1.00 45.14 H new ATOM 0 HZ2 LYS A 34 -16.752 -8.328 12.446 1.00 45.14 H new ATOM 0 HZ3 LYS A 34 -17.199 -9.695 11.543 1.00 45.14 H new ATOM 329 N SER A 35 -13.172 -13.730 13.167 1.00 42.40 N ATOM 330 CA SER A 35 -13.134 -15.155 13.449 1.00 60.21 C ATOM 331 C SER A 35 -12.377 -15.979 12.387 1.00 30.45 C ATOM 332 O SER A 35 -12.512 -15.740 11.187 1.00 44.40 O ATOM 333 CB SER A 35 -14.582 -15.634 13.527 1.00 70.05 C ATOM 334 OG SER A 35 -15.349 -14.765 14.358 1.00 72.12 O ATOM 0 H SER A 35 -14.097 -13.331 13.328 1.00 42.40 H new ATOM 0 HA SER A 35 -12.591 -15.304 14.382 1.00 60.21 H new ATOM 0 HB2 SER A 35 -15.015 -15.667 12.527 1.00 70.05 H new ATOM 0 HB3 SER A 35 -14.615 -16.649 13.923 1.00 70.05 H new ATOM 0 HG SER A 35 -16.275 -15.083 14.397 1.00 72.12 H new ATOM 340 N PRO A 36 -11.565 -16.965 12.829 1.00 71.31 N ATOM 341 CA PRO A 36 -10.871 -17.894 11.921 1.00 74.32 C ATOM 342 C PRO A 36 -11.848 -18.967 11.426 1.00 20.41 C ATOM 343 O PRO A 36 -11.534 -19.787 10.562 1.00 64.44 O ATOM 344 CB PRO A 36 -9.798 -18.519 12.818 1.00 5.53 C ATOM 345 CG PRO A 36 -10.381 -18.484 14.189 1.00 13.20 C ATOM 346 CD PRO A 36 -11.234 -17.242 14.254 1.00 43.24 C ATOM 0 HA PRO A 36 -10.459 -17.413 11.034 1.00 74.32 H new ATOM 0 HB2 PRO A 36 -9.571 -19.540 12.511 1.00 5.53 H new ATOM 0 HB3 PRO A 36 -8.866 -17.957 12.770 1.00 5.53 H new ATOM 0 HG2 PRO A 36 -10.977 -19.376 14.381 1.00 13.20 H new ATOM 0 HG3 PRO A 36 -9.596 -18.457 14.945 1.00 13.20 H new ATOM 0 HD2 PRO A 36 -12.133 -17.404 14.849 1.00 43.24 H new ATOM 0 HD3 PRO A 36 -10.696 -16.410 14.709 1.00 43.24 H new ATOM 354 N ASP A 37 -13.035 -18.931 12.017 1.00 3.11 N ATOM 355 CA ASP A 37 -14.136 -19.841 11.724 1.00 32.41 C ATOM 356 C ASP A 37 -14.649 -19.627 10.310 1.00 13.42 C ATOM 357 O ASP A 37 -15.117 -20.562 9.650 1.00 73.42 O ATOM 358 CB ASP A 37 -15.267 -19.542 12.716 1.00 33.20 C ATOM 359 CG ASP A 37 -16.476 -20.435 12.572 1.00 62.53 C ATOM 360 OD1 ASP A 37 -16.511 -21.509 13.219 1.00 71.00 O ATOM 361 OD2 ASP A 37 -17.440 -20.065 11.853 1.00 11.32 O ATOM 0 H ASP A 37 -13.266 -18.246 12.737 1.00 3.11 H new ATOM 0 HA ASP A 37 -13.792 -20.872 11.813 1.00 32.41 H new ATOM 0 HB2 ASP A 37 -14.879 -19.637 13.730 1.00 33.20 H new ATOM 0 HB3 ASP A 37 -15.579 -18.505 12.590 1.00 33.20 H new ATOM 366 N SER A 38 -14.496 -18.424 9.824 1.00 24.34 N ATOM 367 CA SER A 38 -14.925 -18.078 8.507 1.00 74.23 C ATOM 368 C SER A 38 -13.768 -18.221 7.525 1.00 73.02 C ATOM 369 O SER A 38 -12.594 -18.202 7.940 1.00 33.01 O ATOM 370 CB SER A 38 -15.560 -16.688 8.529 1.00 24.41 C ATOM 371 OG SER A 38 -14.802 -15.797 9.335 1.00 71.22 O ATOM 0 H SER A 38 -14.067 -17.656 10.339 1.00 24.34 H new ATOM 0 HA SER A 38 -15.696 -18.764 8.157 1.00 74.23 H new ATOM 0 HB2 SER A 38 -15.627 -16.298 7.513 1.00 24.41 H new ATOM 0 HB3 SER A 38 -16.578 -16.755 8.912 1.00 24.41 H new ATOM 0 HG SER A 38 -15.226 -14.913 9.333 1.00 71.22 H new ATOM 377 N VAL A 39 -14.097 -18.373 6.248 1.00 0.24 N ATOM 378 CA VAL A 39 -13.127 -18.689 5.205 1.00 44.14 C ATOM 379 C VAL A 39 -11.889 -17.782 5.182 1.00 22.33 C ATOM 380 O VAL A 39 -10.768 -18.284 5.281 1.00 13.34 O ATOM 381 CB VAL A 39 -13.795 -18.849 3.788 1.00 43.32 C ATOM 382 CG1 VAL A 39 -14.507 -17.589 3.317 1.00 33.44 C ATOM 383 CG2 VAL A 39 -12.796 -19.320 2.752 1.00 45.31 C ATOM 0 H VAL A 39 -15.053 -18.280 5.904 1.00 0.24 H new ATOM 0 HA VAL A 39 -12.735 -19.668 5.482 1.00 44.14 H new ATOM 0 HB VAL A 39 -14.560 -19.617 3.904 1.00 43.32 H new ATOM 0 HG11 VAL A 39 -14.946 -17.765 2.335 1.00 33.44 H new ATOM 0 HG12 VAL A 39 -15.294 -17.330 4.025 1.00 33.44 H new ATOM 0 HG13 VAL A 39 -13.792 -16.769 3.253 1.00 33.44 H new ATOM 0 HG21 VAL A 39 -13.292 -19.419 1.787 1.00 45.31 H new ATOM 0 HG22 VAL A 39 -11.986 -18.595 2.671 1.00 45.31 H new ATOM 0 HG23 VAL A 39 -12.389 -20.286 3.052 1.00 45.31 H new ATOM 393 N ASN A 40 -12.073 -16.482 5.138 1.00 2.25 N ATOM 394 CA ASN A 40 -10.950 -15.552 5.031 1.00 73.13 C ATOM 395 C ASN A 40 -11.357 -14.170 5.502 1.00 43.24 C ATOM 396 O ASN A 40 -12.410 -13.666 5.109 1.00 1.55 O ATOM 397 CB ASN A 40 -10.458 -15.437 3.553 1.00 34.33 C ATOM 398 CG ASN A 40 -9.654 -16.624 3.012 1.00 1.45 C ATOM 399 OD1 ASN A 40 -10.208 -17.569 2.458 1.00 61.24 O ATOM 400 ND2 ASN A 40 -8.359 -16.562 3.102 1.00 71.24 N ATOM 0 H ASN A 40 -12.989 -16.035 5.174 1.00 2.25 H new ATOM 0 HA ASN A 40 -10.147 -15.941 5.657 1.00 73.13 H new ATOM 0 HB2 ASN A 40 -11.328 -15.293 2.913 1.00 34.33 H new ATOM 0 HB3 ASN A 40 -9.845 -14.540 3.465 1.00 34.33 H new ATOM 0 HD21 ASN A 40 -7.784 -17.307 2.708 1.00 71.24 H new ATOM 0 HD22 ASN A 40 -7.917 -15.768 3.566 1.00 71.24 H new ATOM 407 N SER A 41 -10.515 -13.526 6.293 1.00 72.11 N ATOM 408 CA SER A 41 -10.762 -12.151 6.712 1.00 61.05 C ATOM 409 C SER A 41 -10.678 -11.265 5.469 1.00 13.43 C ATOM 410 O SER A 41 -11.388 -10.262 5.320 1.00 73.13 O ATOM 411 CB SER A 41 -9.700 -11.716 7.719 1.00 60.11 C ATOM 412 OG SER A 41 -9.683 -12.551 8.874 1.00 52.34 O ATOM 0 H SER A 41 -9.654 -13.931 6.659 1.00 72.11 H new ATOM 0 HA SER A 41 -11.742 -12.068 7.182 1.00 61.05 H new ATOM 0 HB2 SER A 41 -8.720 -11.736 7.243 1.00 60.11 H new ATOM 0 HB3 SER A 41 -9.887 -10.685 8.020 1.00 60.11 H new ATOM 0 HG SER A 41 -9.300 -12.057 9.629 1.00 52.34 H new ATOM 418 N GLU A 42 -9.831 -11.709 4.555 1.00 12.24 N ATOM 419 CA GLU A 42 -9.600 -11.087 3.286 1.00 10.20 C ATOM 420 C GLU A 42 -10.892 -11.121 2.451 1.00 35.51 C ATOM 421 O GLU A 42 -11.119 -10.258 1.605 1.00 21.43 O ATOM 422 CB GLU A 42 -8.468 -11.814 2.511 1.00 72.10 C ATOM 423 CG GLU A 42 -7.199 -12.160 3.317 1.00 4.30 C ATOM 424 CD GLU A 42 -7.312 -13.457 4.122 1.00 74.44 C ATOM 425 OE1 GLU A 42 -6.750 -14.491 3.709 1.00 3.20 O ATOM 426 OE2 GLU A 42 -7.967 -13.472 5.163 1.00 63.22 O ATOM 0 H GLU A 42 -9.268 -12.548 4.694 1.00 12.24 H new ATOM 0 HA GLU A 42 -9.296 -10.055 3.460 1.00 10.20 H new ATOM 0 HB2 GLU A 42 -8.874 -12.738 2.100 1.00 72.10 H new ATOM 0 HB3 GLU A 42 -8.177 -11.190 1.666 1.00 72.10 H new ATOM 0 HG2 GLU A 42 -6.356 -12.241 2.631 1.00 4.30 H new ATOM 0 HG3 GLU A 42 -6.978 -11.339 3.999 1.00 4.30 H new ATOM 433 N HIS A 43 -11.759 -12.100 2.739 1.00 61.13 N ATOM 434 CA HIS A 43 -13.020 -12.248 2.029 1.00 23.10 C ATOM 435 C HIS A 43 -13.937 -11.122 2.442 1.00 35.34 C ATOM 436 O HIS A 43 -14.538 -10.442 1.606 1.00 54.20 O ATOM 437 CB HIS A 43 -13.674 -13.609 2.362 1.00 41.14 C ATOM 438 CG HIS A 43 -14.984 -13.867 1.678 1.00 35.44 C ATOM 439 ND1 HIS A 43 -16.215 -13.621 2.251 1.00 63.22 N ATOM 440 CD2 HIS A 43 -15.236 -14.362 0.448 1.00 73.02 C ATOM 441 CE1 HIS A 43 -17.155 -13.965 1.370 1.00 70.25 C ATOM 442 NE2 HIS A 43 -16.611 -14.425 0.248 1.00 32.34 N ATOM 0 H HIS A 43 -11.602 -12.801 3.464 1.00 61.13 H new ATOM 0 HA HIS A 43 -12.840 -12.212 0.955 1.00 23.10 H new ATOM 0 HB2 HIS A 43 -12.979 -14.404 2.094 1.00 41.14 H new ATOM 0 HB3 HIS A 43 -13.826 -13.668 3.440 1.00 41.14 H new ATOM 0 HD1 HIS A 43 -16.377 -13.243 3.184 1.00 63.22 H new ATOM 0 HD2 HIS A 43 -14.487 -14.662 -0.269 1.00 73.02 H new ATOM 0 HE1 HIS A 43 -18.217 -13.881 1.545 1.00 70.25 H new ATOM 450 N GLU A 44 -13.993 -10.896 3.740 1.00 3.11 N ATOM 451 CA GLU A 44 -14.821 -9.881 4.307 1.00 53.21 C ATOM 452 C GLU A 44 -14.301 -8.527 3.903 1.00 0.23 C ATOM 453 O GLU A 44 -15.062 -7.594 3.717 1.00 70.25 O ATOM 454 CB GLU A 44 -14.810 -10.030 5.806 1.00 30.23 C ATOM 455 CG GLU A 44 -15.129 -11.439 6.247 1.00 64.24 C ATOM 456 CD GLU A 44 -16.470 -11.912 5.753 1.00 30.30 C ATOM 457 OE1 GLU A 44 -16.507 -12.764 4.837 1.00 71.10 O ATOM 458 OE2 GLU A 44 -17.510 -11.427 6.250 1.00 71.11 O ATOM 0 H GLU A 44 -13.455 -11.424 4.427 1.00 3.11 H new ATOM 0 HA GLU A 44 -15.845 -9.979 3.945 1.00 53.21 H new ATOM 0 HB2 GLU A 44 -13.830 -9.745 6.189 1.00 30.23 H new ATOM 0 HB3 GLU A 44 -15.535 -9.343 6.242 1.00 30.23 H new ATOM 0 HG2 GLU A 44 -14.354 -12.114 5.884 1.00 64.24 H new ATOM 0 HG3 GLU A 44 -15.109 -11.488 7.336 1.00 64.24 H new ATOM 465 N LEU A 45 -12.996 -8.441 3.735 1.00 45.03 N ATOM 466 CA LEU A 45 -12.376 -7.233 3.305 1.00 23.34 C ATOM 467 C LEU A 45 -12.756 -6.927 1.867 1.00 74.54 C ATOM 468 O LEU A 45 -13.119 -5.802 1.550 1.00 41.14 O ATOM 469 CB LEU A 45 -10.868 -7.310 3.456 1.00 23.11 C ATOM 470 CG LEU A 45 -10.145 -6.019 3.152 1.00 23.23 C ATOM 471 CD1 LEU A 45 -10.600 -4.938 4.096 1.00 10.13 C ATOM 472 CD2 LEU A 45 -8.645 -6.202 3.203 1.00 50.25 C ATOM 0 H LEU A 45 -12.349 -9.213 3.896 1.00 45.03 H new ATOM 0 HA LEU A 45 -12.734 -6.422 3.939 1.00 23.34 H new ATOM 0 HB2 LEU A 45 -10.632 -7.613 4.476 1.00 23.11 H new ATOM 0 HB3 LEU A 45 -10.488 -8.090 2.796 1.00 23.11 H new ATOM 0 HG LEU A 45 -10.394 -5.715 2.135 1.00 23.23 H new ATOM 0 HD11 LEU A 45 -10.073 -4.011 3.869 1.00 10.13 H new ATOM 0 HD12 LEU A 45 -11.673 -4.783 3.982 1.00 10.13 H new ATOM 0 HD13 LEU A 45 -10.384 -5.236 5.122 1.00 10.13 H new ATOM 0 HD21 LEU A 45 -8.155 -5.254 2.980 1.00 50.25 H new ATOM 0 HD22 LEU A 45 -8.353 -6.536 4.199 1.00 50.25 H new ATOM 0 HD23 LEU A 45 -8.344 -6.948 2.467 1.00 50.25 H new ATOM 484 N ALA A 46 -12.705 -7.943 1.015 1.00 70.45 N ATOM 485 CA ALA A 46 -13.093 -7.811 -0.388 1.00 21.33 C ATOM 486 C ALA A 46 -14.552 -7.387 -0.483 1.00 31.52 C ATOM 487 O ALA A 46 -14.937 -6.567 -1.317 1.00 62.21 O ATOM 488 CB ALA A 46 -12.887 -9.133 -1.115 1.00 33.24 C ATOM 0 H ALA A 46 -12.395 -8.880 1.273 1.00 70.45 H new ATOM 0 HA ALA A 46 -12.469 -7.050 -0.858 1.00 21.33 H new ATOM 0 HB1 ALA A 46 -13.179 -9.023 -2.159 1.00 33.24 H new ATOM 0 HB2 ALA A 46 -11.836 -9.419 -1.060 1.00 33.24 H new ATOM 0 HB3 ALA A 46 -13.498 -9.905 -0.647 1.00 33.24 H new ATOM 494 N HIS A 47 -15.331 -7.914 0.428 1.00 63.13 N ATOM 495 CA HIS A 47 -16.752 -7.652 0.501 1.00 2.13 C ATOM 496 C HIS A 47 -17.011 -6.242 1.085 1.00 2.42 C ATOM 497 O HIS A 47 -18.028 -5.608 0.795 1.00 41.51 O ATOM 498 CB HIS A 47 -17.425 -8.748 1.347 1.00 50.25 C ATOM 499 CG HIS A 47 -18.918 -8.742 1.311 1.00 64.35 C ATOM 500 ND1 HIS A 47 -19.715 -8.638 2.424 1.00 51.23 N ATOM 501 CD2 HIS A 47 -19.759 -8.879 0.260 1.00 64.43 C ATOM 502 CE1 HIS A 47 -20.988 -8.716 2.031 1.00 74.31 C ATOM 503 NE2 HIS A 47 -21.070 -8.863 0.716 1.00 1.55 N ATOM 0 H HIS A 47 -14.993 -8.548 1.153 1.00 63.13 H new ATOM 0 HA HIS A 47 -17.183 -7.672 -0.500 1.00 2.13 H new ATOM 0 HB2 HIS A 47 -17.072 -9.720 1.003 1.00 50.25 H new ATOM 0 HB3 HIS A 47 -17.101 -8.638 2.382 1.00 50.25 H new ATOM 0 HD2 HIS A 47 -19.458 -8.984 -0.772 1.00 64.43 H new ATOM 0 HE1 HIS A 47 -21.838 -8.666 2.696 1.00 74.31 H new ATOM 0 HE2 HIS A 47 -21.919 -8.947 0.156 1.00 1.55 H new ATOM 511 N PHE A 48 -16.092 -5.768 1.903 1.00 61.14 N ATOM 512 CA PHE A 48 -16.155 -4.440 2.476 1.00 54.53 C ATOM 513 C PHE A 48 -15.800 -3.418 1.420 1.00 42.24 C ATOM 514 O PHE A 48 -16.474 -2.415 1.258 1.00 13.00 O ATOM 515 CB PHE A 48 -15.169 -4.357 3.666 1.00 74.43 C ATOM 516 CG PHE A 48 -14.902 -2.976 4.223 1.00 44.42 C ATOM 517 CD1 PHE A 48 -15.631 -2.472 5.285 1.00 43.10 C ATOM 518 CD2 PHE A 48 -13.896 -2.194 3.680 1.00 73.03 C ATOM 519 CE1 PHE A 48 -15.363 -1.214 5.791 1.00 45.45 C ATOM 520 CE2 PHE A 48 -13.626 -0.940 4.175 1.00 11.22 C ATOM 521 CZ PHE A 48 -14.358 -0.448 5.231 1.00 32.03 C ATOM 0 H PHE A 48 -15.272 -6.301 2.191 1.00 61.14 H new ATOM 0 HA PHE A 48 -17.163 -4.233 2.834 1.00 54.53 H new ATOM 0 HB2 PHE A 48 -15.553 -4.982 4.472 1.00 74.43 H new ATOM 0 HB3 PHE A 48 -14.218 -4.789 3.353 1.00 74.43 H new ATOM 0 HD1 PHE A 48 -16.418 -3.068 5.723 1.00 43.10 H new ATOM 0 HD2 PHE A 48 -13.314 -2.576 2.854 1.00 73.03 H new ATOM 0 HE1 PHE A 48 -15.937 -0.831 6.622 1.00 45.45 H new ATOM 0 HE2 PHE A 48 -12.841 -0.342 3.736 1.00 11.22 H new ATOM 0 HZ PHE A 48 -14.147 0.536 5.622 1.00 32.03 H new ATOM 531 N LEU A 49 -14.758 -3.704 0.675 1.00 61.24 N ATOM 532 CA LEU A 49 -14.246 -2.767 -0.287 1.00 12.21 C ATOM 533 C LEU A 49 -15.061 -2.756 -1.582 1.00 30.54 C ATOM 534 O LEU A 49 -14.765 -2.005 -2.469 1.00 33.42 O ATOM 535 CB LEU A 49 -12.746 -3.017 -0.537 1.00 5.31 C ATOM 536 CG LEU A 49 -12.374 -4.302 -1.271 1.00 42.21 C ATOM 537 CD1 LEU A 49 -12.437 -4.112 -2.768 1.00 25.14 C ATOM 538 CD2 LEU A 49 -11.025 -4.805 -0.833 1.00 41.33 C ATOM 0 H LEU A 49 -14.248 -4.586 0.720 1.00 61.24 H new ATOM 0 HA LEU A 49 -14.351 -1.767 0.133 1.00 12.21 H new ATOM 0 HB2 LEU A 49 -12.352 -2.175 -1.106 1.00 5.31 H new ATOM 0 HB3 LEU A 49 -12.237 -3.017 0.427 1.00 5.31 H new ATOM 0 HG LEU A 49 -13.108 -5.063 -1.008 1.00 42.21 H new ATOM 0 HD11 LEU A 49 -12.167 -5.044 -3.265 1.00 25.14 H new ATOM 0 HD12 LEU A 49 -13.449 -3.827 -3.056 1.00 25.14 H new ATOM 0 HD13 LEU A 49 -11.741 -3.328 -3.065 1.00 25.14 H new ATOM 0 HD21 LEU A 49 -10.786 -5.722 -1.372 1.00 41.33 H new ATOM 0 HD22 LEU A 49 -10.268 -4.050 -1.047 1.00 41.33 H new ATOM 0 HD23 LEU A 49 -11.043 -5.008 0.238 1.00 41.33 H new ATOM 550 N GLY A 50 -16.062 -3.614 -1.675 1.00 13.12 N ATOM 551 CA GLY A 50 -16.952 -3.633 -2.847 1.00 34.30 C ATOM 552 C GLY A 50 -17.529 -2.237 -3.165 1.00 63.10 C ATOM 553 O GLY A 50 -17.270 -1.688 -4.234 1.00 52.20 O ATOM 0 H GLY A 50 -16.287 -4.308 -0.962 1.00 13.12 H new ATOM 0 HA2 GLY A 50 -16.402 -4.002 -3.713 1.00 34.30 H new ATOM 0 HA3 GLY A 50 -17.771 -4.330 -2.668 1.00 34.30 H new ATOM 557 N PRO A 51 -18.305 -1.633 -2.241 1.00 31.23 N ATOM 558 CA PRO A 51 -18.834 -0.268 -2.399 1.00 61.21 C ATOM 559 C PRO A 51 -17.763 0.806 -2.127 1.00 70.41 C ATOM 560 O PRO A 51 -17.999 2.008 -2.301 1.00 23.44 O ATOM 561 CB PRO A 51 -19.942 -0.180 -1.331 1.00 10.51 C ATOM 562 CG PRO A 51 -20.110 -1.567 -0.800 1.00 31.43 C ATOM 563 CD PRO A 51 -18.799 -2.246 -0.997 1.00 2.11 C ATOM 0 HA PRO A 51 -19.183 -0.088 -3.416 1.00 61.21 H new ATOM 0 HB2 PRO A 51 -19.664 0.512 -0.536 1.00 10.51 H new ATOM 0 HB3 PRO A 51 -20.873 0.188 -1.763 1.00 10.51 H new ATOM 0 HG2 PRO A 51 -20.386 -1.550 0.254 1.00 31.43 H new ATOM 0 HG3 PRO A 51 -20.905 -2.093 -1.329 1.00 31.43 H new ATOM 0 HD2 PRO A 51 -18.122 -2.070 -0.161 1.00 2.11 H new ATOM 0 HD3 PRO A 51 -18.912 -3.326 -1.094 1.00 2.11 H new ATOM 571 N HIS A 52 -16.596 0.369 -1.695 1.00 21.14 N ATOM 572 CA HIS A 52 -15.532 1.273 -1.309 1.00 42.42 C ATOM 573 C HIS A 52 -14.324 1.026 -2.210 1.00 44.11 C ATOM 574 O HIS A 52 -13.194 1.263 -1.809 1.00 12.31 O ATOM 575 CB HIS A 52 -15.142 1.040 0.175 1.00 22.40 C ATOM 576 CG HIS A 52 -16.241 1.284 1.194 1.00 33.04 C ATOM 577 ND1 HIS A 52 -16.306 2.393 2.013 1.00 11.13 N ATOM 578 CD2 HIS A 52 -17.302 0.509 1.545 1.00 54.24 C ATOM 579 CE1 HIS A 52 -17.371 2.256 2.816 1.00 42.32 C ATOM 580 NE2 HIS A 52 -18.012 1.128 2.571 1.00 1.02 N ATOM 0 H HIS A 52 -16.360 -0.619 -1.602 1.00 21.14 H new ATOM 0 HA HIS A 52 -15.871 2.303 -1.419 1.00 42.42 H new ATOM 0 HB2 HIS A 52 -14.795 0.012 0.283 1.00 22.40 H new ATOM 0 HB3 HIS A 52 -14.299 1.688 0.415 1.00 22.40 H new ATOM 0 HD2 HIS A 52 -17.555 -0.441 1.097 1.00 54.24 H new ATOM 0 HE1 HIS A 52 -17.666 2.975 3.566 1.00 42.32 H new ATOM 0 HE2 HIS A 52 -18.852 0.782 3.036 1.00 1.02 H new ATOM 588 N ASP A 53 -14.614 0.584 -3.448 1.00 44.11 N ATOM 589 CA ASP A 53 -13.608 0.204 -4.470 1.00 24.14 C ATOM 590 C ASP A 53 -12.619 1.316 -4.766 1.00 3.21 C ATOM 591 O ASP A 53 -12.973 2.341 -5.373 1.00 45.11 O ATOM 592 CB ASP A 53 -14.315 -0.259 -5.772 1.00 13.11 C ATOM 593 CG ASP A 53 -13.393 -0.384 -6.995 1.00 23.22 C ATOM 594 OD1 ASP A 53 -12.667 -1.382 -7.139 1.00 71.24 O ATOM 595 OD2 ASP A 53 -13.435 0.512 -7.881 1.00 13.20 O ATOM 0 H ASP A 53 -15.573 0.477 -3.777 1.00 44.11 H new ATOM 0 HA ASP A 53 -13.031 -0.623 -4.057 1.00 24.14 H new ATOM 0 HB2 ASP A 53 -14.786 -1.225 -5.589 1.00 13.11 H new ATOM 0 HB3 ASP A 53 -15.113 0.446 -6.006 1.00 13.11 H new ATOM 600 N PRO A 54 -11.375 1.146 -4.301 1.00 62.11 N ATOM 601 CA PRO A 54 -10.317 2.089 -4.521 1.00 45.22 C ATOM 602 C PRO A 54 -9.427 1.654 -5.669 1.00 64.44 C ATOM 603 O PRO A 54 -9.701 0.658 -6.356 1.00 44.31 O ATOM 604 CB PRO A 54 -9.539 1.988 -3.221 1.00 13.43 C ATOM 605 CG PRO A 54 -9.673 0.554 -2.795 1.00 53.12 C ATOM 606 CD PRO A 54 -10.902 0.005 -3.484 1.00 73.30 C ATOM 0 HA PRO A 54 -10.674 3.088 -4.771 1.00 45.22 H new ATOM 0 HB2 PRO A 54 -8.493 2.260 -3.365 1.00 13.43 H new ATOM 0 HB3 PRO A 54 -9.943 2.663 -2.466 1.00 13.43 H new ATOM 0 HG2 PRO A 54 -8.787 -0.016 -3.074 1.00 53.12 H new ATOM 0 HG3 PRO A 54 -9.772 0.480 -1.712 1.00 53.12 H new ATOM 0 HD2 PRO A 54 -10.663 -0.860 -4.102 1.00 73.30 H new ATOM 0 HD3 PRO A 54 -11.657 -0.315 -2.765 1.00 73.30 H new ATOM 614 N GLU A 55 -8.367 2.367 -5.876 1.00 31.41 N ATOM 615 CA GLU A 55 -7.424 1.982 -6.859 1.00 25.33 C ATOM 616 C GLU A 55 -6.475 1.016 -6.213 1.00 73.20 C ATOM 617 O GLU A 55 -5.632 1.404 -5.407 1.00 53.11 O ATOM 618 CB GLU A 55 -6.716 3.202 -7.383 1.00 30.34 C ATOM 619 CG GLU A 55 -7.665 4.167 -8.037 1.00 41.52 C ATOM 620 CD GLU A 55 -7.014 5.469 -8.399 1.00 22.30 C ATOM 621 OE1 GLU A 55 -6.330 5.541 -9.425 1.00 40.43 O ATOM 622 OE2 GLU A 55 -7.178 6.458 -7.663 1.00 51.23 O ATOM 0 H GLU A 55 -8.138 3.223 -5.371 1.00 31.41 H new ATOM 0 HA GLU A 55 -7.903 1.500 -7.711 1.00 25.33 H new ATOM 0 HB2 GLU A 55 -6.199 3.701 -6.563 1.00 30.34 H new ATOM 0 HB3 GLU A 55 -5.955 2.899 -8.102 1.00 30.34 H new ATOM 0 HG2 GLU A 55 -8.078 3.710 -8.937 1.00 41.52 H new ATOM 0 HG3 GLU A 55 -8.501 4.359 -7.365 1.00 41.52 H new ATOM 629 N ILE A 56 -6.668 -0.235 -6.483 1.00 43.31 N ATOM 630 CA ILE A 56 -5.889 -1.263 -5.859 1.00 25.11 C ATOM 631 C ILE A 56 -4.620 -1.492 -6.668 1.00 12.41 C ATOM 632 O ILE A 56 -4.663 -2.038 -7.704 1.00 22.30 O ATOM 633 CB ILE A 56 -6.696 -2.586 -5.770 1.00 52.12 C ATOM 634 CG1 ILE A 56 -8.040 -2.359 -5.044 1.00 11.35 C ATOM 635 CG2 ILE A 56 -5.875 -3.625 -5.050 1.00 75.35 C ATOM 636 CD1 ILE A 56 -9.002 -3.544 -5.092 1.00 10.03 C ATOM 0 H ILE A 56 -7.369 -0.576 -7.141 1.00 43.31 H new ATOM 0 HA ILE A 56 -5.633 -0.946 -4.848 1.00 25.11 H new ATOM 0 HB ILE A 56 -6.916 -2.937 -6.778 1.00 52.12 H new ATOM 0 HG12 ILE A 56 -7.837 -2.116 -4.001 1.00 11.35 H new ATOM 0 HG13 ILE A 56 -8.532 -1.491 -5.483 1.00 11.35 H new ATOM 0 HG21 ILE A 56 -6.440 -4.555 -4.986 1.00 75.35 H new ATOM 0 HG22 ILE A 56 -4.949 -3.800 -5.597 1.00 75.35 H new ATOM 0 HG23 ILE A 56 -5.642 -3.272 -4.045 1.00 75.35 H new ATOM 0 HD11 ILE A 56 -9.917 -3.292 -4.556 1.00 10.03 H new ATOM 0 HD12 ILE A 56 -9.241 -3.777 -6.130 1.00 10.03 H new ATOM 0 HD13 ILE A 56 -8.535 -4.411 -4.624 1.00 10.03 H new ATOM 648 N TYR A 57 -3.520 -1.049 -6.197 1.00 55.02 N ATOM 649 CA TYR A 57 -2.289 -1.212 -6.923 1.00 22.33 C ATOM 650 C TYR A 57 -1.566 -2.427 -6.495 1.00 64.03 C ATOM 651 O TYR A 57 -0.961 -2.453 -5.465 1.00 12.33 O ATOM 652 CB TYR A 57 -1.391 -0.003 -6.819 1.00 25.01 C ATOM 653 CG TYR A 57 -1.815 1.114 -7.702 1.00 52.25 C ATOM 654 CD1 TYR A 57 -1.154 1.358 -8.891 1.00 12.11 C ATOM 655 CD2 TYR A 57 -2.875 1.921 -7.361 1.00 31.23 C ATOM 656 CE1 TYR A 57 -1.538 2.388 -9.719 1.00 50.21 C ATOM 657 CE2 TYR A 57 -3.270 2.947 -8.175 1.00 20.21 C ATOM 658 CZ TYR A 57 -2.599 3.182 -9.355 1.00 34.20 C ATOM 659 OH TYR A 57 -2.994 4.218 -10.173 1.00 2.23 O ATOM 0 H TYR A 57 -3.429 -0.564 -5.304 1.00 55.02 H new ATOM 0 HA TYR A 57 -2.566 -1.323 -7.971 1.00 22.33 H new ATOM 0 HB2 TYR A 57 -1.376 0.344 -5.786 1.00 25.01 H new ATOM 0 HB3 TYR A 57 -0.371 -0.292 -7.073 1.00 25.01 H new ATOM 0 HD1 TYR A 57 -0.322 0.730 -9.175 1.00 12.11 H new ATOM 0 HD2 TYR A 57 -3.404 1.742 -6.436 1.00 31.23 H new ATOM 0 HE1 TYR A 57 -1.012 2.570 -10.644 1.00 50.21 H new ATOM 0 HE2 TYR A 57 -4.105 3.571 -7.893 1.00 20.21 H new ATOM 0 HH TYR A 57 -3.759 4.680 -9.770 1.00 2.23 H new ATOM 669 N VAL A 58 -1.578 -3.398 -7.311 1.00 23.10 N ATOM 670 CA VAL A 58 -0.960 -4.644 -6.986 1.00 42.24 C ATOM 671 C VAL A 58 0.266 -4.781 -7.806 1.00 1.52 C ATOM 672 O VAL A 58 0.204 -4.802 -9.038 1.00 22.33 O ATOM 673 CB VAL A 58 -1.909 -5.832 -7.201 1.00 22.44 C ATOM 674 CG1 VAL A 58 -1.189 -7.169 -7.090 1.00 45.42 C ATOM 675 CG2 VAL A 58 -3.025 -5.783 -6.202 1.00 51.22 C ATOM 0 H VAL A 58 -2.015 -3.367 -8.232 1.00 23.10 H new ATOM 0 HA VAL A 58 -0.704 -4.651 -5.927 1.00 42.24 H new ATOM 0 HB VAL A 58 -2.307 -5.749 -8.212 1.00 22.44 H new ATOM 0 HG11 VAL A 58 -1.900 -7.980 -7.249 1.00 45.42 H new ATOM 0 HG12 VAL A 58 -0.403 -7.223 -7.843 1.00 45.42 H new ATOM 0 HG13 VAL A 58 -0.748 -7.263 -6.098 1.00 45.42 H new ATOM 0 HG21 VAL A 58 -3.693 -6.629 -6.361 1.00 51.22 H new ATOM 0 HG22 VAL A 58 -2.613 -5.831 -5.194 1.00 51.22 H new ATOM 0 HG23 VAL A 58 -3.581 -4.853 -6.323 1.00 51.22 H new ATOM 685 N ASN A 59 1.382 -4.753 -7.108 1.00 52.32 N ATOM 686 CA ASN A 59 2.726 -4.837 -7.674 1.00 14.21 C ATOM 687 C ASN A 59 2.991 -3.662 -8.597 1.00 43.31 C ATOM 688 O ASN A 59 3.891 -3.696 -9.428 1.00 24.40 O ATOM 689 CB ASN A 59 2.950 -6.169 -8.404 1.00 50.22 C ATOM 690 CG ASN A 59 2.797 -7.374 -7.496 1.00 11.05 C ATOM 691 OD1 ASN A 59 3.051 -7.316 -6.280 1.00 44.22 O ATOM 692 ND2 ASN A 59 2.366 -8.464 -8.063 1.00 41.14 N ATOM 0 H ASN A 59 1.386 -4.668 -6.092 1.00 52.32 H new ATOM 0 HA ASN A 59 3.437 -4.795 -6.849 1.00 14.21 H new ATOM 0 HB2 ASN A 59 2.241 -6.249 -9.228 1.00 50.22 H new ATOM 0 HB3 ASN A 59 3.949 -6.174 -8.841 1.00 50.22 H new ATOM 0 HD21 ASN A 59 2.226 -9.307 -7.507 1.00 41.14 H new ATOM 0 HD22 ASN A 59 2.168 -8.474 -9.064 1.00 41.14 H new ATOM 699 N GLY A 60 2.226 -2.601 -8.404 1.00 11.45 N ATOM 700 CA GLY A 60 2.367 -1.414 -9.206 1.00 50.24 C ATOM 701 C GLY A 60 1.340 -1.315 -10.321 1.00 43.42 C ATOM 702 O GLY A 60 1.386 -0.383 -11.121 1.00 61.42 O ATOM 0 H GLY A 60 1.498 -2.545 -7.692 1.00 11.45 H new ATOM 0 HA2 GLY A 60 2.281 -0.538 -8.563 1.00 50.24 H new ATOM 0 HA3 GLY A 60 3.367 -1.394 -9.640 1.00 50.24 H new ATOM 706 N LYS A 61 0.418 -2.264 -10.397 1.00 12.30 N ATOM 707 CA LYS A 61 -0.610 -2.221 -11.416 1.00 33.54 C ATOM 708 C LYS A 61 -1.952 -1.994 -10.797 1.00 74.44 C ATOM 709 O LYS A 61 -2.279 -2.612 -9.793 1.00 43.41 O ATOM 710 CB LYS A 61 -0.605 -3.485 -12.277 1.00 33.40 C ATOM 711 CG LYS A 61 0.683 -3.695 -13.044 1.00 54.41 C ATOM 712 CD LYS A 61 0.932 -2.564 -14.024 1.00 20.44 C ATOM 713 CE LYS A 61 2.246 -2.743 -14.740 1.00 21.21 C ATOM 714 NZ LYS A 61 2.494 -1.654 -15.699 1.00 2.43 N ATOM 0 H LYS A 61 0.364 -3.066 -9.769 1.00 12.30 H new ATOM 0 HA LYS A 61 -0.390 -1.382 -12.077 1.00 33.54 H new ATOM 0 HB2 LYS A 61 -0.782 -4.350 -11.638 1.00 33.40 H new ATOM 0 HB3 LYS A 61 -1.434 -3.436 -12.983 1.00 33.40 H new ATOM 0 HG2 LYS A 61 1.517 -3.764 -12.346 1.00 54.41 H new ATOM 0 HG3 LYS A 61 0.638 -4.642 -13.582 1.00 54.41 H new ATOM 0 HD2 LYS A 61 0.121 -2.524 -14.751 1.00 20.44 H new ATOM 0 HD3 LYS A 61 0.931 -1.612 -13.493 1.00 20.44 H new ATOM 0 HE2 LYS A 61 3.056 -2.778 -14.011 1.00 21.21 H new ATOM 0 HE3 LYS A 61 2.248 -3.698 -15.265 1.00 21.21 H new ATOM 0 HZ1 LYS A 61 3.406 -1.810 -16.173 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 1.734 -1.636 -16.409 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 2.517 -0.745 -15.194 1.00 2.43 H new ATOM 728 N ILE A 62 -2.712 -1.109 -11.389 1.00 64.52 N ATOM 729 CA ILE A 62 -4.002 -0.742 -10.873 1.00 12.14 C ATOM 730 C ILE A 62 -5.002 -1.880 -11.142 1.00 50.23 C ATOM 731 O ILE A 62 -5.115 -2.398 -12.251 1.00 35.04 O ATOM 732 CB ILE A 62 -4.477 0.656 -11.452 1.00 23.23 C ATOM 733 CG1 ILE A 62 -5.534 1.359 -10.553 1.00 24.30 C ATOM 734 CG2 ILE A 62 -4.989 0.547 -12.884 1.00 3.41 C ATOM 735 CD1 ILE A 62 -6.897 0.717 -10.483 1.00 25.01 C ATOM 0 H ILE A 62 -2.451 -0.622 -12.246 1.00 64.52 H new ATOM 0 HA ILE A 62 -3.940 -0.606 -9.793 1.00 12.14 H new ATOM 0 HB ILE A 62 -3.584 1.281 -11.457 1.00 23.23 H new ATOM 0 HG12 ILE A 62 -5.134 1.420 -9.541 1.00 24.30 H new ATOM 0 HG13 ILE A 62 -5.657 2.382 -10.909 1.00 24.30 H new ATOM 0 HG21 ILE A 62 -5.302 1.531 -13.234 1.00 3.41 H new ATOM 0 HG22 ILE A 62 -4.194 0.169 -13.527 1.00 3.41 H new ATOM 0 HG23 ILE A 62 -5.837 -0.136 -12.916 1.00 3.41 H new ATOM 0 HD11 ILE A 62 -7.541 1.301 -9.826 1.00 25.01 H new ATOM 0 HD12 ILE A 62 -7.334 0.681 -11.481 1.00 25.01 H new ATOM 0 HD13 ILE A 62 -6.802 -0.296 -10.092 1.00 25.01 H new ATOM 747 N GLN A 63 -5.628 -2.296 -10.105 1.00 21.41 N ATOM 748 CA GLN A 63 -6.596 -3.346 -10.103 1.00 5.35 C ATOM 749 C GLN A 63 -7.861 -2.791 -9.455 1.00 62.15 C ATOM 750 O GLN A 63 -7.789 -1.887 -8.600 1.00 31.40 O ATOM 751 CB GLN A 63 -6.105 -4.508 -9.207 1.00 75.13 C ATOM 752 CG GLN A 63 -4.667 -4.970 -9.411 1.00 0.01 C ATOM 753 CD GLN A 63 -4.366 -5.547 -10.773 1.00 24.30 C ATOM 754 OE1 GLN A 63 -5.229 -6.121 -11.439 1.00 52.22 O ATOM 755 NE2 GLN A 63 -3.136 -5.421 -11.180 1.00 63.22 N ATOM 0 H GLN A 63 -5.476 -1.895 -9.179 1.00 21.41 H new ATOM 0 HA GLN A 63 -6.765 -3.699 -11.120 1.00 5.35 H new ATOM 0 HB2 GLN A 63 -6.221 -4.207 -8.166 1.00 75.13 H new ATOM 0 HB3 GLN A 63 -6.763 -5.362 -9.367 1.00 75.13 H new ATOM 0 HG2 GLN A 63 -4.002 -4.124 -9.237 1.00 0.01 H new ATOM 0 HG3 GLN A 63 -4.432 -5.720 -8.656 1.00 0.01 H new ATOM 0 HE21 GLN A 63 -2.453 -4.938 -10.597 1.00 63.22 H new ATOM 0 HE22 GLN A 63 -2.855 -5.805 -12.082 1.00 63.22 H new ATOM 764 N THR A 64 -8.979 -3.283 -9.866 1.00 54.54 N ATOM 765 CA THR A 64 -10.226 -2.947 -9.235 1.00 44.24 C ATOM 766 C THR A 64 -10.586 -4.068 -8.247 1.00 1.43 C ATOM 767 O THR A 64 -9.873 -5.096 -8.188 1.00 71.22 O ATOM 768 CB THR A 64 -11.356 -2.747 -10.300 1.00 1.21 C ATOM 769 OG1 THR A 64 -12.573 -2.297 -9.686 1.00 23.32 O ATOM 770 CG2 THR A 64 -11.632 -4.035 -11.070 1.00 42.33 C ATOM 0 H THR A 64 -9.063 -3.931 -10.649 1.00 54.54 H new ATOM 0 HA THR A 64 -10.126 -2.004 -8.697 1.00 44.24 H new ATOM 0 HB THR A 64 -11.002 -1.987 -10.996 1.00 1.21 H new ATOM 0 HG1 THR A 64 -12.368 -1.864 -8.831 1.00 23.32 H new ATOM 0 HG21 THR A 64 -12.422 -3.860 -11.801 1.00 42.33 H new ATOM 0 HG22 THR A 64 -10.725 -4.353 -11.585 1.00 42.33 H new ATOM 0 HG23 THR A 64 -11.947 -4.814 -10.375 1.00 42.33 H new ATOM 778 N THR A 65 -11.653 -3.859 -7.470 1.00 62.14 N ATOM 779 CA THR A 65 -12.199 -4.819 -6.518 1.00 62.25 C ATOM 780 C THR A 65 -12.236 -6.249 -7.081 1.00 2.35 C ATOM 781 O THR A 65 -11.817 -7.191 -6.418 1.00 50.31 O ATOM 782 CB THR A 65 -13.640 -4.370 -6.039 1.00 32.12 C ATOM 783 OG1 THR A 65 -14.260 -5.375 -5.218 1.00 1.24 O ATOM 784 CG2 THR A 65 -14.565 -4.030 -7.216 1.00 53.35 C ATOM 0 H THR A 65 -12.176 -2.984 -7.491 1.00 62.14 H new ATOM 0 HA THR A 65 -11.528 -4.833 -5.659 1.00 62.25 H new ATOM 0 HB THR A 65 -13.493 -3.467 -5.447 1.00 32.12 H new ATOM 0 HG1 THR A 65 -15.229 -5.231 -5.201 1.00 1.24 H new ATOM 0 HG21 THR A 65 -15.541 -3.728 -6.836 1.00 53.35 H new ATOM 0 HG22 THR A 65 -14.132 -3.214 -7.795 1.00 53.35 H new ATOM 0 HG23 THR A 65 -14.679 -4.906 -7.854 1.00 53.35 H new ATOM 792 N THR A 66 -12.645 -6.377 -8.324 1.00 43.03 N ATOM 793 CA THR A 66 -12.803 -7.663 -8.958 1.00 44.33 C ATOM 794 C THR A 66 -11.444 -8.354 -9.211 1.00 54.23 C ATOM 795 O THR A 66 -11.296 -9.550 -8.984 1.00 14.00 O ATOM 796 CB THR A 66 -13.580 -7.483 -10.259 1.00 2.21 C ATOM 797 OG1 THR A 66 -14.799 -6.776 -9.955 1.00 14.35 O ATOM 798 CG2 THR A 66 -13.906 -8.827 -10.882 1.00 20.05 C ATOM 0 H THR A 66 -12.878 -5.586 -8.925 1.00 43.03 H new ATOM 0 HA THR A 66 -13.361 -8.317 -8.287 1.00 44.33 H new ATOM 0 HB THR A 66 -12.977 -6.921 -10.973 1.00 2.21 H new ATOM 0 HG1 THR A 66 -15.316 -6.646 -10.777 1.00 14.35 H new ATOM 0 HG21 THR A 66 -14.460 -8.674 -11.808 1.00 20.05 H new ATOM 0 HG22 THR A 66 -12.981 -9.362 -11.097 1.00 20.05 H new ATOM 0 HG23 THR A 66 -14.511 -9.412 -10.190 1.00 20.05 H new ATOM 806 N ALA A 67 -10.474 -7.598 -9.663 1.00 0.20 N ATOM 807 CA ALA A 67 -9.135 -8.109 -9.897 1.00 51.34 C ATOM 808 C ALA A 67 -8.510 -8.530 -8.576 1.00 4.11 C ATOM 809 O ALA A 67 -7.949 -9.616 -8.477 1.00 41.21 O ATOM 810 CB ALA A 67 -8.299 -7.063 -10.587 1.00 63.25 C ATOM 0 H ALA A 67 -10.585 -6.608 -9.881 1.00 0.20 H new ATOM 0 HA ALA A 67 -9.185 -8.983 -10.546 1.00 51.34 H new ATOM 0 HB1 ALA A 67 -7.296 -7.454 -10.759 1.00 63.25 H new ATOM 0 HB2 ALA A 67 -8.756 -6.804 -11.542 1.00 63.25 H new ATOM 0 HB3 ALA A 67 -8.239 -6.173 -9.960 1.00 63.25 H new ATOM 816 N PHE A 68 -8.642 -7.668 -7.563 1.00 50.24 N ATOM 817 CA PHE A 68 -8.209 -7.969 -6.192 1.00 45.01 C ATOM 818 C PHE A 68 -8.821 -9.276 -5.757 1.00 73.40 C ATOM 819 O PHE A 68 -8.126 -10.194 -5.339 1.00 15.41 O ATOM 820 CB PHE A 68 -8.682 -6.847 -5.260 1.00 53.11 C ATOM 821 CG PHE A 68 -8.505 -7.093 -3.771 1.00 33.30 C ATOM 822 CD1 PHE A 68 -9.494 -7.739 -3.036 1.00 14.51 C ATOM 823 CD2 PHE A 68 -7.368 -6.681 -3.114 1.00 70.04 C ATOM 824 CE1 PHE A 68 -9.342 -7.968 -1.689 1.00 33.44 C ATOM 825 CE2 PHE A 68 -7.215 -6.910 -1.756 1.00 41.11 C ATOM 826 CZ PHE A 68 -8.202 -7.555 -1.046 1.00 60.00 C ATOM 0 H PHE A 68 -9.052 -6.740 -7.669 1.00 50.24 H new ATOM 0 HA PHE A 68 -7.122 -8.044 -6.152 1.00 45.01 H new ATOM 0 HB2 PHE A 68 -8.146 -5.935 -5.523 1.00 53.11 H new ATOM 0 HB3 PHE A 68 -9.739 -6.663 -5.454 1.00 53.11 H new ATOM 0 HD1 PHE A 68 -10.396 -8.066 -3.532 1.00 14.51 H new ATOM 0 HD2 PHE A 68 -6.587 -6.174 -3.662 1.00 70.04 H new ATOM 0 HE1 PHE A 68 -10.120 -8.473 -1.136 1.00 33.44 H new ATOM 0 HE2 PHE A 68 -6.318 -6.581 -1.253 1.00 41.11 H new ATOM 0 HZ PHE A 68 -8.080 -7.735 0.012 1.00 60.00 H new ATOM 836 N LEU A 69 -10.131 -9.319 -5.855 1.00 43.02 N ATOM 837 CA LEU A 69 -10.944 -10.522 -5.563 1.00 53.50 C ATOM 838 C LEU A 69 -10.362 -11.768 -6.270 1.00 73.15 C ATOM 839 O LEU A 69 -10.248 -12.836 -5.667 1.00 2.20 O ATOM 840 CB LEU A 69 -12.431 -10.250 -5.971 1.00 22.35 C ATOM 841 CG LEU A 69 -13.552 -11.265 -5.588 1.00 53.14 C ATOM 842 CD1 LEU A 69 -13.458 -12.594 -6.331 1.00 35.20 C ATOM 843 CD2 LEU A 69 -13.597 -11.483 -4.088 1.00 2.24 C ATOM 0 H LEU A 69 -10.689 -8.515 -6.143 1.00 43.02 H new ATOM 0 HA LEU A 69 -10.916 -10.733 -4.494 1.00 53.50 H new ATOM 0 HB2 LEU A 69 -12.711 -9.286 -5.547 1.00 22.35 H new ATOM 0 HB3 LEU A 69 -12.453 -10.140 -7.055 1.00 22.35 H new ATOM 0 HG LEU A 69 -14.489 -10.810 -5.908 1.00 53.14 H new ATOM 0 HD11 LEU A 69 -14.270 -13.247 -6.012 1.00 35.20 H new ATOM 0 HD12 LEU A 69 -13.534 -12.417 -7.404 1.00 35.20 H new ATOM 0 HD13 LEU A 69 -12.502 -13.068 -6.109 1.00 35.20 H new ATOM 0 HD21 LEU A 69 -14.387 -12.195 -3.847 1.00 2.24 H new ATOM 0 HD22 LEU A 69 -12.639 -11.876 -3.749 1.00 2.24 H new ATOM 0 HD23 LEU A 69 -13.798 -10.535 -3.588 1.00 2.24 H new ATOM 855 N GLN A 70 -9.987 -11.619 -7.522 1.00 5.13 N ATOM 856 CA GLN A 70 -9.381 -12.682 -8.283 1.00 21.03 C ATOM 857 C GLN A 70 -8.054 -13.147 -7.667 1.00 23.51 C ATOM 858 O GLN A 70 -7.846 -14.346 -7.464 1.00 42.40 O ATOM 859 CB GLN A 70 -9.211 -12.257 -9.729 1.00 33.01 C ATOM 860 CG GLN A 70 -10.511 -12.247 -10.509 1.00 42.41 C ATOM 861 CD GLN A 70 -10.341 -11.731 -11.911 1.00 63.03 C ATOM 862 OE1 GLN A 70 -10.059 -12.487 -12.837 1.00 20.13 O ATOM 863 NE2 GLN A 70 -10.534 -10.456 -12.088 1.00 35.33 N ATOM 0 H GLN A 70 -10.096 -10.748 -8.042 1.00 5.13 H new ATOM 0 HA GLN A 70 -10.050 -13.542 -8.254 1.00 21.03 H new ATOM 0 HB2 GLN A 70 -8.771 -11.260 -9.758 1.00 33.01 H new ATOM 0 HB3 GLN A 70 -8.507 -12.931 -10.218 1.00 33.01 H new ATOM 0 HG2 GLN A 70 -10.917 -13.258 -10.545 1.00 42.41 H new ATOM 0 HG3 GLN A 70 -11.240 -11.629 -9.985 1.00 42.41 H new ATOM 0 HE21 GLN A 70 -10.767 -9.860 -11.293 1.00 35.33 H new ATOM 0 HE22 GLN A 70 -10.453 -10.053 -13.021 1.00 35.33 H new ATOM 872 N PHE A 71 -7.198 -12.212 -7.302 1.00 64.24 N ATOM 873 CA PHE A 71 -5.916 -12.575 -6.700 1.00 51.52 C ATOM 874 C PHE A 71 -6.159 -13.171 -5.315 1.00 30.22 C ATOM 875 O PHE A 71 -5.489 -14.110 -4.896 1.00 14.34 O ATOM 876 CB PHE A 71 -4.970 -11.377 -6.609 1.00 12.03 C ATOM 877 CG PHE A 71 -4.634 -10.737 -7.921 1.00 25.11 C ATOM 878 CD1 PHE A 71 -3.956 -11.437 -8.902 1.00 40.34 C ATOM 879 CD2 PHE A 71 -4.987 -9.425 -8.166 1.00 71.21 C ATOM 880 CE1 PHE A 71 -3.643 -10.838 -10.107 1.00 3.41 C ATOM 881 CE2 PHE A 71 -4.680 -8.821 -9.362 1.00 21.04 C ATOM 882 CZ PHE A 71 -4.007 -9.528 -10.337 1.00 53.31 C ATOM 0 H PHE A 71 -7.356 -11.210 -7.406 1.00 64.24 H new ATOM 0 HA PHE A 71 -5.435 -13.315 -7.340 1.00 51.52 H new ATOM 0 HB2 PHE A 71 -5.420 -10.626 -5.960 1.00 12.03 H new ATOM 0 HB3 PHE A 71 -4.045 -11.699 -6.131 1.00 12.03 H new ATOM 0 HD1 PHE A 71 -3.668 -12.463 -8.724 1.00 40.34 H new ATOM 0 HD2 PHE A 71 -5.512 -8.865 -7.407 1.00 71.21 H new ATOM 0 HE1 PHE A 71 -3.115 -11.394 -10.867 1.00 3.41 H new ATOM 0 HE2 PHE A 71 -4.965 -7.794 -9.538 1.00 21.04 H new ATOM 0 HZ PHE A 71 -3.766 -9.057 -11.278 1.00 53.31 H new ATOM 892 N PHE A 72 -7.139 -12.635 -4.632 1.00 25.41 N ATOM 893 CA PHE A 72 -7.567 -13.129 -3.348 1.00 31.00 C ATOM 894 C PHE A 72 -7.985 -14.591 -3.435 1.00 55.43 C ATOM 895 O PHE A 72 -7.479 -15.421 -2.682 1.00 1.33 O ATOM 896 CB PHE A 72 -8.711 -12.258 -2.777 1.00 22.22 C ATOM 897 CG PHE A 72 -9.636 -13.003 -1.855 1.00 55.31 C ATOM 898 CD1 PHE A 72 -10.878 -13.392 -2.309 1.00 2.25 C ATOM 899 CD2 PHE A 72 -9.257 -13.345 -0.577 1.00 31.42 C ATOM 900 CE1 PHE A 72 -11.731 -14.110 -1.509 1.00 41.23 C ATOM 901 CE2 PHE A 72 -10.110 -14.062 0.235 1.00 33.44 C ATOM 902 CZ PHE A 72 -11.347 -14.447 -0.234 1.00 4.50 C ATOM 0 H PHE A 72 -7.671 -11.829 -4.959 1.00 25.41 H new ATOM 0 HA PHE A 72 -6.721 -13.065 -2.664 1.00 31.00 H new ATOM 0 HB2 PHE A 72 -8.279 -11.414 -2.240 1.00 22.22 H new ATOM 0 HB3 PHE A 72 -9.290 -11.847 -3.604 1.00 22.22 H new ATOM 0 HD1 PHE A 72 -11.185 -13.128 -3.310 1.00 2.25 H new ATOM 0 HD2 PHE A 72 -8.286 -13.050 -0.208 1.00 31.42 H new ATOM 0 HE1 PHE A 72 -12.700 -14.409 -1.880 1.00 41.23 H new ATOM 0 HE2 PHE A 72 -9.808 -14.322 1.239 1.00 33.44 H new ATOM 0 HZ PHE A 72 -12.014 -15.013 0.400 1.00 4.50 H new ATOM 912 N ARG A 73 -8.868 -14.909 -4.384 1.00 43.01 N ATOM 913 CA ARG A 73 -9.389 -16.254 -4.502 1.00 70.43 C ATOM 914 C ARG A 73 -8.279 -17.197 -4.916 1.00 72.14 C ATOM 915 O ARG A 73 -8.252 -18.357 -4.507 1.00 42.43 O ATOM 916 CB ARG A 73 -10.599 -16.338 -5.468 1.00 44.30 C ATOM 917 CG ARG A 73 -10.269 -16.113 -6.932 1.00 51.01 C ATOM 918 CD ARG A 73 -11.503 -16.152 -7.809 1.00 34.24 C ATOM 919 NE ARG A 73 -11.162 -16.094 -9.240 1.00 3.22 N ATOM 920 CZ ARG A 73 -12.004 -16.377 -10.249 1.00 52.10 C ATOM 921 NH1 ARG A 73 -13.260 -16.732 -9.998 1.00 60.34 N ATOM 922 NH2 ARG A 73 -11.577 -16.316 -11.498 1.00 50.50 N ATOM 0 H ARG A 73 -9.230 -14.251 -5.074 1.00 43.01 H new ATOM 0 HA ARG A 73 -9.764 -16.557 -3.524 1.00 70.43 H new ATOM 0 HB2 ARG A 73 -11.061 -17.319 -5.362 1.00 44.30 H new ATOM 0 HB3 ARG A 73 -11.341 -15.601 -5.161 1.00 44.30 H new ATOM 0 HG2 ARG A 73 -9.774 -15.149 -7.047 1.00 51.01 H new ATOM 0 HG3 ARG A 73 -9.564 -16.875 -7.265 1.00 51.01 H new ATOM 0 HD2 ARG A 73 -12.064 -17.064 -7.606 1.00 34.24 H new ATOM 0 HD3 ARG A 73 -12.154 -15.315 -7.557 1.00 34.24 H new ATOM 0 HE ARG A 73 -10.211 -15.817 -9.485 1.00 3.22 H new ATOM 0 HH11 ARG A 73 -13.591 -16.791 -9.035 1.00 60.34 H new ATOM 0 HH12 ARG A 73 -13.893 -16.945 -10.769 1.00 60.34 H new ATOM 0 HH21 ARG A 73 -10.611 -16.055 -11.694 1.00 50.50 H new ATOM 0 HH22 ARG A 73 -12.214 -16.530 -12.266 1.00 50.50 H new ATOM 936 N GLN A 74 -7.324 -16.668 -5.679 1.00 42.52 N ATOM 937 CA GLN A 74 -6.176 -17.449 -6.097 1.00 72.01 C ATOM 938 C GLN A 74 -5.167 -17.660 -4.952 1.00 53.43 C ATOM 939 O GLN A 74 -4.225 -18.443 -5.089 1.00 14.14 O ATOM 940 CB GLN A 74 -5.509 -16.858 -7.338 1.00 5.43 C ATOM 941 CG GLN A 74 -6.385 -16.902 -8.572 1.00 41.44 C ATOM 942 CD GLN A 74 -5.752 -16.248 -9.781 1.00 71.20 C ATOM 943 OE1 GLN A 74 -5.907 -15.049 -10.014 1.00 11.52 O ATOM 944 NE2 GLN A 74 -5.066 -17.018 -10.577 1.00 31.45 N ATOM 0 H GLN A 74 -7.328 -15.705 -6.016 1.00 42.52 H new ATOM 0 HA GLN A 74 -6.551 -18.435 -6.371 1.00 72.01 H new ATOM 0 HB2 GLN A 74 -5.233 -15.823 -7.135 1.00 5.43 H new ATOM 0 HB3 GLN A 74 -4.585 -17.401 -7.538 1.00 5.43 H new ATOM 0 HG2 GLN A 74 -6.615 -17.941 -8.809 1.00 41.44 H new ATOM 0 HG3 GLN A 74 -7.332 -16.408 -8.354 1.00 41.44 H new ATOM 0 HE21 GLN A 74 -4.955 -18.008 -10.358 1.00 31.45 H new ATOM 0 HE22 GLN A 74 -4.640 -16.631 -11.419 1.00 31.45 H new ATOM 953 N GLY A 75 -5.356 -16.957 -3.841 1.00 34.31 N ATOM 954 CA GLY A 75 -4.533 -17.177 -2.667 1.00 54.43 C ATOM 955 C GLY A 75 -3.449 -16.137 -2.446 1.00 11.23 C ATOM 956 O GLY A 75 -2.636 -16.270 -1.530 1.00 43.13 O ATOM 0 H GLY A 75 -6.068 -16.235 -3.733 1.00 34.31 H new ATOM 0 HA2 GLY A 75 -5.177 -17.202 -1.788 1.00 54.43 H new ATOM 0 HA3 GLY A 75 -4.065 -18.158 -2.747 1.00 54.43 H new ATOM 960 N LEU A 76 -3.458 -15.097 -3.239 1.00 12.55 N ATOM 961 CA LEU A 76 -2.426 -14.057 -3.184 1.00 1.24 C ATOM 962 C LEU A 76 -2.486 -13.234 -1.894 1.00 5.31 C ATOM 963 O LEU A 76 -1.488 -13.071 -1.207 1.00 33.31 O ATOM 964 CB LEU A 76 -2.528 -13.108 -4.396 1.00 34.24 C ATOM 965 CG LEU A 76 -2.059 -13.601 -5.796 1.00 11.35 C ATOM 966 CD1 LEU A 76 -0.571 -13.859 -5.820 1.00 22.42 C ATOM 967 CD2 LEU A 76 -2.793 -14.839 -6.264 1.00 25.12 C ATOM 0 H LEU A 76 -4.175 -14.934 -3.946 1.00 12.55 H new ATOM 0 HA LEU A 76 -1.470 -14.581 -3.207 1.00 1.24 H new ATOM 0 HB2 LEU A 76 -3.571 -12.807 -4.488 1.00 34.24 H new ATOM 0 HB3 LEU A 76 -1.957 -12.211 -4.157 1.00 34.24 H new ATOM 0 HG LEU A 76 -2.298 -12.793 -6.487 1.00 11.35 H new ATOM 0 HD11 LEU A 76 -0.277 -14.202 -6.812 1.00 22.42 H new ATOM 0 HD12 LEU A 76 -0.038 -12.938 -5.582 1.00 22.42 H new ATOM 0 HD13 LEU A 76 -0.322 -14.623 -5.084 1.00 22.42 H new ATOM 0 HD21 LEU A 76 -2.421 -15.133 -7.246 1.00 25.12 H new ATOM 0 HD22 LEU A 76 -2.627 -15.650 -5.555 1.00 25.12 H new ATOM 0 HD23 LEU A 76 -3.860 -14.627 -6.329 1.00 25.12 H new ATOM 979 N PHE A 77 -3.666 -12.766 -1.540 1.00 11.11 N ATOM 980 CA PHE A 77 -3.794 -11.850 -0.405 1.00 24.35 C ATOM 981 C PHE A 77 -4.037 -12.553 0.901 1.00 31.03 C ATOM 982 O PHE A 77 -4.324 -11.917 1.898 1.00 61.04 O ATOM 983 CB PHE A 77 -4.879 -10.816 -0.651 1.00 4.33 C ATOM 984 CG PHE A 77 -4.631 -10.003 -1.867 1.00 71.52 C ATOM 985 CD1 PHE A 77 -3.479 -9.249 -1.987 1.00 62.40 C ATOM 986 CD2 PHE A 77 -5.540 -9.993 -2.889 1.00 63.21 C ATOM 987 CE1 PHE A 77 -3.249 -8.505 -3.115 1.00 73.53 C ATOM 988 CE2 PHE A 77 -5.318 -9.250 -4.012 1.00 72.34 C ATOM 989 CZ PHE A 77 -4.172 -8.505 -4.130 1.00 61.22 C ATOM 0 H PHE A 77 -4.543 -12.995 -2.008 1.00 11.11 H new ATOM 0 HA PHE A 77 -2.831 -11.346 -0.322 1.00 24.35 H new ATOM 0 HB2 PHE A 77 -5.841 -11.320 -0.746 1.00 4.33 H new ATOM 0 HB3 PHE A 77 -4.949 -10.156 0.214 1.00 4.33 H new ATOM 0 HD1 PHE A 77 -2.755 -9.246 -1.186 1.00 62.40 H new ATOM 0 HD2 PHE A 77 -6.443 -10.579 -2.806 1.00 63.21 H new ATOM 0 HE1 PHE A 77 -2.345 -7.921 -3.204 1.00 73.53 H new ATOM 0 HE2 PHE A 77 -6.046 -9.248 -4.810 1.00 72.34 H new ATOM 0 HZ PHE A 77 -3.997 -7.920 -5.020 1.00 61.22 H new ATOM 999 N LYS A 78 -3.850 -13.849 0.922 1.00 4.45 N ATOM 1000 CA LYS A 78 -4.062 -14.617 2.141 1.00 30.12 C ATOM 1001 C LYS A 78 -3.042 -14.279 3.237 1.00 35.43 C ATOM 1002 O LYS A 78 -3.234 -14.604 4.398 1.00 74.44 O ATOM 1003 CB LYS A 78 -4.116 -16.116 1.875 1.00 73.30 C ATOM 1004 CG LYS A 78 -5.352 -16.564 1.105 1.00 1.01 C ATOM 1005 CD LYS A 78 -5.531 -18.078 1.157 1.00 4.11 C ATOM 1006 CE LYS A 78 -4.379 -18.840 0.523 1.00 24.01 C ATOM 1007 NZ LYS A 78 -4.553 -20.300 0.663 1.00 21.03 N ATOM 0 H LYS A 78 -3.553 -14.400 0.117 1.00 4.45 H new ATOM 0 HA LYS A 78 -5.041 -14.318 2.517 1.00 30.12 H new ATOM 0 HB2 LYS A 78 -3.227 -16.408 1.316 1.00 73.30 H new ATOM 0 HB3 LYS A 78 -4.082 -16.645 2.827 1.00 73.30 H new ATOM 0 HG2 LYS A 78 -6.235 -16.079 1.520 1.00 1.01 H new ATOM 0 HG3 LYS A 78 -5.270 -16.243 0.067 1.00 1.01 H new ATOM 0 HD2 LYS A 78 -5.636 -18.389 2.196 1.00 4.11 H new ATOM 0 HD3 LYS A 78 -6.458 -18.345 0.649 1.00 4.11 H new ATOM 0 HE2 LYS A 78 -4.308 -18.581 -0.533 1.00 24.01 H new ATOM 0 HE3 LYS A 78 -3.441 -18.538 0.989 1.00 24.01 H new ATOM 0 HZ1 LYS A 78 -3.750 -20.789 0.220 1.00 21.03 H new ATOM 0 HZ2 LYS A 78 -4.596 -20.549 1.672 1.00 21.03 H new ATOM 0 HZ3 LYS A 78 -5.436 -20.591 0.196 1.00 21.03 H new ATOM 1021 N LYS A 79 -1.989 -13.603 2.853 1.00 4.21 N ATOM 1022 CA LYS A 79 -0.918 -13.205 3.763 1.00 34.11 C ATOM 1023 C LYS A 79 -1.317 -11.965 4.555 1.00 54.21 C ATOM 1024 O LYS A 79 -0.697 -11.647 5.571 1.00 40.30 O ATOM 1025 CB LYS A 79 0.350 -12.905 2.954 1.00 32.41 C ATOM 1026 CG LYS A 79 0.862 -14.070 2.114 1.00 30.23 C ATOM 1027 CD LYS A 79 1.514 -15.158 2.958 1.00 3.20 C ATOM 1028 CE LYS A 79 2.862 -14.710 3.528 1.00 22.12 C ATOM 1029 NZ LYS A 79 3.809 -14.311 2.456 1.00 21.33 N ATOM 0 H LYS A 79 -1.839 -13.304 1.889 1.00 4.21 H new ATOM 0 HA LYS A 79 -0.732 -14.021 4.462 1.00 34.11 H new ATOM 0 HB2 LYS A 79 0.152 -12.059 2.295 1.00 32.41 H new ATOM 0 HB3 LYS A 79 1.138 -12.597 3.641 1.00 32.41 H new ATOM 0 HG2 LYS A 79 0.033 -14.499 1.551 1.00 30.23 H new ATOM 0 HG3 LYS A 79 1.583 -13.699 1.386 1.00 30.23 H new ATOM 0 HD2 LYS A 79 0.847 -15.431 3.776 1.00 3.20 H new ATOM 0 HD3 LYS A 79 1.656 -16.052 2.351 1.00 3.20 H new ATOM 0 HE2 LYS A 79 2.709 -13.872 4.208 1.00 22.12 H new ATOM 0 HE3 LYS A 79 3.296 -15.520 4.114 1.00 22.12 H new ATOM 0 HZ1 LYS A 79 4.752 -14.698 2.664 1.00 21.33 H new ATOM 0 HZ2 LYS A 79 3.476 -14.682 1.543 1.00 21.33 H new ATOM 0 HZ3 LYS A 79 3.863 -13.273 2.409 1.00 21.33 H new ATOM 1043 N LEU A 80 -2.389 -11.317 4.121 1.00 63.10 N ATOM 1044 CA LEU A 80 -2.840 -10.053 4.691 1.00 5.10 C ATOM 1045 C LEU A 80 -3.195 -10.171 6.179 1.00 3.52 C ATOM 1046 O LEU A 80 -3.026 -9.219 6.928 1.00 20.01 O ATOM 1047 CB LEU A 80 -4.002 -9.477 3.830 1.00 71.42 C ATOM 1048 CG LEU A 80 -4.569 -8.080 4.174 1.00 72.31 C ATOM 1049 CD1 LEU A 80 -5.225 -7.490 2.940 1.00 4.21 C ATOM 1050 CD2 LEU A 80 -5.618 -8.162 5.285 1.00 3.33 C ATOM 0 H LEU A 80 -2.975 -11.655 3.358 1.00 63.10 H new ATOM 0 HA LEU A 80 -2.013 -9.343 4.659 1.00 5.10 H new ATOM 0 HB2 LEU A 80 -3.662 -9.448 2.795 1.00 71.42 H new ATOM 0 HB3 LEU A 80 -4.828 -10.187 3.874 1.00 71.42 H new ATOM 0 HG LEU A 80 -3.743 -7.456 4.515 1.00 72.31 H new ATOM 0 HD11 LEU A 80 -5.627 -6.505 3.177 1.00 4.21 H new ATOM 0 HD12 LEU A 80 -4.486 -7.399 2.144 1.00 4.21 H new ATOM 0 HD13 LEU A 80 -6.034 -8.142 2.611 1.00 4.21 H new ATOM 0 HD21 LEU A 80 -5.996 -7.163 5.503 1.00 3.33 H new ATOM 0 HD22 LEU A 80 -6.441 -8.799 4.962 1.00 3.33 H new ATOM 0 HD23 LEU A 80 -5.165 -8.582 6.183 1.00 3.33 H new ATOM 1062 N LYS A 81 -3.615 -11.345 6.635 1.00 63.42 N ATOM 1063 CA LYS A 81 -3.995 -11.430 8.059 1.00 43.03 C ATOM 1064 C LYS A 81 -2.874 -12.021 8.898 1.00 24.12 C ATOM 1065 O LYS A 81 -3.019 -12.251 10.096 1.00 13.12 O ATOM 1066 CB LYS A 81 -5.365 -12.124 8.338 1.00 71.23 C ATOM 1067 CG LYS A 81 -5.434 -13.649 8.220 1.00 74.14 C ATOM 1068 CD LYS A 81 -5.242 -14.139 6.816 1.00 63.12 C ATOM 1069 CE LYS A 81 -5.507 -15.629 6.716 1.00 53.22 C ATOM 1070 NZ LYS A 81 -5.354 -16.102 5.336 1.00 74.23 N ATOM 0 H LYS A 81 -3.702 -12.204 6.091 1.00 63.42 H new ATOM 0 HA LYS A 81 -4.151 -10.397 8.370 1.00 43.03 H new ATOM 0 HB2 LYS A 81 -5.678 -11.852 9.346 1.00 71.23 H new ATOM 0 HB3 LYS A 81 -6.099 -11.702 7.652 1.00 71.23 H new ATOM 0 HG2 LYS A 81 -4.671 -14.092 8.861 1.00 74.14 H new ATOM 0 HG3 LYS A 81 -6.400 -13.993 8.590 1.00 74.14 H new ATOM 0 HD2 LYS A 81 -5.912 -13.602 6.145 1.00 63.12 H new ATOM 0 HD3 LYS A 81 -4.225 -13.925 6.489 1.00 63.12 H new ATOM 0 HE2 LYS A 81 -4.819 -16.168 7.367 1.00 53.22 H new ATOM 0 HE3 LYS A 81 -6.515 -15.846 7.068 1.00 53.22 H new ATOM 0 HZ1 LYS A 81 -5.322 -17.141 5.327 1.00 74.23 H new ATOM 0 HZ2 LYS A 81 -6.160 -15.776 4.766 1.00 74.23 H new ATOM 0 HZ3 LYS A 81 -4.471 -15.725 4.936 1.00 74.23 H new ATOM 1084 N ASP A 82 -1.753 -12.263 8.262 1.00 55.44 N ATOM 1085 CA ASP A 82 -0.553 -12.750 8.945 1.00 41.14 C ATOM 1086 C ASP A 82 0.428 -11.578 9.031 1.00 50.20 C ATOM 1087 O ASP A 82 1.594 -11.706 9.418 1.00 54.43 O ATOM 1088 CB ASP A 82 0.051 -13.928 8.153 1.00 10.41 C ATOM 1089 CG ASP A 82 1.152 -14.670 8.892 1.00 54.00 C ATOM 1090 OD1 ASP A 82 2.220 -14.929 8.299 1.00 52.13 O ATOM 1091 OD2 ASP A 82 0.954 -15.055 10.072 1.00 21.14 O ATOM 0 H ASP A 82 -1.635 -12.132 7.257 1.00 55.44 H new ATOM 0 HA ASP A 82 -0.784 -13.113 9.947 1.00 41.14 H new ATOM 0 HB2 ASP A 82 -0.744 -14.631 7.905 1.00 10.41 H new ATOM 0 HB3 ASP A 82 0.449 -13.552 7.211 1.00 10.41 H new ATOM 1096 N ALA A 83 -0.097 -10.418 8.687 1.00 74.41 N ATOM 1097 CA ALA A 83 0.660 -9.203 8.575 1.00 4.13 C ATOM 1098 C ALA A 83 0.685 -8.396 9.858 1.00 32.41 C ATOM 1099 O ALA A 83 -0.232 -8.469 10.688 1.00 12.24 O ATOM 1100 CB ALA A 83 0.117 -8.367 7.435 1.00 15.14 C ATOM 0 H ALA A 83 -1.087 -10.300 8.474 1.00 74.41 H new ATOM 0 HA ALA A 83 1.693 -9.486 8.371 1.00 4.13 H new ATOM 0 HB1 ALA A 83 0.694 -7.446 7.353 1.00 15.14 H new ATOM 0 HB2 ALA A 83 0.194 -8.928 6.504 1.00 15.14 H new ATOM 0 HB3 ALA A 83 -0.928 -8.125 7.627 1.00 15.14 H new ATOM 1106 N GLU A 84 1.737 -7.634 10.002 1.00 52.11 N ATOM 1107 CA GLU A 84 1.948 -6.770 11.128 1.00 13.33 C ATOM 1108 C GLU A 84 1.462 -5.352 10.804 1.00 65.24 C ATOM 1109 O GLU A 84 1.737 -4.812 9.709 1.00 64.33 O ATOM 1110 CB GLU A 84 3.442 -6.755 11.513 1.00 20.52 C ATOM 1111 CG GLU A 84 4.380 -6.292 10.398 1.00 54.20 C ATOM 1112 CD GLU A 84 5.832 -6.279 10.794 1.00 0.44 C ATOM 1113 OE1 GLU A 84 6.591 -7.163 10.356 1.00 73.34 O ATOM 1114 OE2 GLU A 84 6.242 -5.372 11.552 1.00 2.43 O ATOM 0 H GLU A 84 2.492 -7.598 9.317 1.00 52.11 H new ATOM 0 HA GLU A 84 1.375 -7.147 11.975 1.00 13.33 H new ATOM 0 HB2 GLU A 84 3.575 -6.103 12.376 1.00 20.52 H new ATOM 0 HB3 GLU A 84 3.734 -7.758 11.823 1.00 20.52 H new ATOM 0 HG2 GLU A 84 4.254 -6.946 9.535 1.00 54.20 H new ATOM 0 HG3 GLU A 84 4.089 -5.289 10.084 1.00 54.20 H new ATOM 1121 N PHE A 85 0.721 -4.780 11.721 1.00 4.00 N ATOM 1122 CA PHE A 85 0.230 -3.429 11.614 1.00 24.22 C ATOM 1123 C PHE A 85 0.536 -2.697 12.901 1.00 15.21 C ATOM 1124 O PHE A 85 0.684 -3.330 13.950 1.00 12.21 O ATOM 1125 CB PHE A 85 -1.284 -3.405 11.320 1.00 43.25 C ATOM 1126 CG PHE A 85 -2.169 -4.125 12.322 1.00 32.33 C ATOM 1127 CD1 PHE A 85 -2.391 -5.492 12.220 1.00 30.14 C ATOM 1128 CD2 PHE A 85 -2.791 -3.429 13.347 1.00 32.23 C ATOM 1129 CE1 PHE A 85 -3.208 -6.145 13.122 1.00 22.55 C ATOM 1130 CE2 PHE A 85 -3.608 -4.079 14.252 1.00 0.55 C ATOM 1131 CZ PHE A 85 -3.818 -5.438 14.139 1.00 62.34 C ATOM 0 H PHE A 85 0.437 -5.251 12.580 1.00 4.00 H new ATOM 0 HA PHE A 85 0.727 -2.933 10.781 1.00 24.22 H new ATOM 0 HB2 PHE A 85 -1.606 -2.365 11.262 1.00 43.25 H new ATOM 0 HB3 PHE A 85 -1.450 -3.845 10.337 1.00 43.25 H new ATOM 0 HD1 PHE A 85 -1.919 -6.051 11.426 1.00 30.14 H new ATOM 0 HD2 PHE A 85 -2.635 -2.364 13.439 1.00 32.23 H new ATOM 0 HE1 PHE A 85 -3.370 -7.209 13.032 1.00 22.55 H new ATOM 0 HE2 PHE A 85 -4.082 -3.523 15.048 1.00 0.55 H new ATOM 0 HZ PHE A 85 -4.458 -5.947 14.844 1.00 62.34 H new ATOM 1300 N GLU A 97 -7.419 15.269 5.141 1.00 41.30 N ATOM 1301 CA GLU A 97 -6.416 14.353 5.661 1.00 3.45 C ATOM 1302 C GLU A 97 -6.229 13.135 4.792 1.00 70.32 C ATOM 1303 O GLU A 97 -6.995 12.881 3.867 1.00 13.45 O ATOM 1304 CB GLU A 97 -6.754 13.891 7.084 1.00 24.14 C ATOM 1305 CG GLU A 97 -7.051 15.009 8.051 1.00 0.40 C ATOM 1306 CD GLU A 97 -6.078 16.141 7.943 1.00 30.21 C ATOM 1307 OE1 GLU A 97 -6.495 17.228 7.564 1.00 45.40 O ATOM 1308 OE2 GLU A 97 -4.891 15.958 8.208 1.00 65.11 O ATOM 0 HA GLU A 97 -5.485 14.920 5.668 1.00 3.45 H new ATOM 0 HB2 GLU A 97 -7.617 13.226 7.041 1.00 24.14 H new ATOM 0 HB3 GLU A 97 -5.919 13.306 7.470 1.00 24.14 H new ATOM 0 HG2 GLU A 97 -8.059 15.383 7.869 1.00 0.40 H new ATOM 0 HG3 GLU A 97 -7.035 14.618 9.068 1.00 0.40 H new ATOM 1315 N GLY A 98 -5.225 12.377 5.122 1.00 41.34 N ATOM 1316 CA GLY A 98 -4.937 11.174 4.436 1.00 12.52 C ATOM 1317 C GLY A 98 -4.280 10.213 5.363 1.00 51.31 C ATOM 1318 O GLY A 98 -3.440 10.615 6.175 1.00 55.52 O ATOM 0 H GLY A 98 -4.582 12.588 5.885 1.00 41.34 H new ATOM 0 HA2 GLY A 98 -5.855 10.741 4.039 1.00 12.52 H new ATOM 0 HA3 GLY A 98 -4.286 11.376 3.585 1.00 12.52 H new ATOM 1322 N TYR A 99 -4.656 8.981 5.279 1.00 62.31 N ATOM 1323 CA TYR A 99 -4.084 7.964 6.110 1.00 50.34 C ATOM 1324 C TYR A 99 -3.540 6.919 5.195 1.00 62.25 C ATOM 1325 O TYR A 99 -4.126 6.663 4.145 1.00 30.35 O ATOM 1326 CB TYR A 99 -5.141 7.278 6.991 1.00 61.12 C ATOM 1327 CG TYR A 99 -6.147 8.180 7.661 1.00 72.52 C ATOM 1328 CD1 TYR A 99 -5.762 9.207 8.515 1.00 22.12 C ATOM 1329 CD2 TYR A 99 -7.501 7.978 7.443 1.00 12.22 C ATOM 1330 CE1 TYR A 99 -6.709 10.010 9.128 1.00 64.14 C ATOM 1331 CE2 TYR A 99 -8.449 8.765 8.042 1.00 40.24 C ATOM 1332 CZ TYR A 99 -8.053 9.786 8.886 1.00 42.14 C ATOM 1333 OH TYR A 99 -8.998 10.573 9.500 1.00 52.33 O ATOM 0 H TYR A 99 -5.370 8.646 4.632 1.00 62.31 H new ATOM 0 HA TYR A 99 -3.333 8.418 6.756 1.00 50.34 H new ATOM 0 HB2 TYR A 99 -5.683 6.559 6.376 1.00 61.12 H new ATOM 0 HB3 TYR A 99 -4.624 6.710 7.764 1.00 61.12 H new ATOM 0 HD1 TYR A 99 -4.713 9.381 8.702 1.00 22.12 H new ATOM 0 HD2 TYR A 99 -7.816 7.181 6.785 1.00 12.22 H new ATOM 0 HE1 TYR A 99 -6.401 10.806 9.790 1.00 64.14 H new ATOM 0 HE2 TYR A 99 -9.498 8.589 7.856 1.00 40.24 H new ATOM 0 HH TYR A 99 -8.627 11.466 9.658 1.00 52.33 H new ATOM 1343 N LYS A 100 -2.454 6.345 5.544 1.00 52.43 N ATOM 1344 CA LYS A 100 -1.937 5.251 4.803 1.00 70.52 C ATOM 1345 C LYS A 100 -1.477 4.177 5.757 1.00 51.05 C ATOM 1346 O LYS A 100 -0.408 4.264 6.383 1.00 41.24 O ATOM 1347 CB LYS A 100 -0.869 5.665 3.773 1.00 2.52 C ATOM 1348 CG LYS A 100 0.321 6.395 4.337 1.00 71.12 C ATOM 1349 CD LYS A 100 1.359 6.676 3.264 1.00 53.12 C ATOM 1350 CE LYS A 100 2.647 7.196 3.874 1.00 10.21 C ATOM 1351 NZ LYS A 100 3.253 6.220 4.822 1.00 11.05 N ATOM 0 H LYS A 100 -1.894 6.617 6.352 1.00 52.43 H new ATOM 0 HA LYS A 100 -2.737 4.837 4.189 1.00 70.52 H new ATOM 0 HB2 LYS A 100 -0.516 4.770 3.261 1.00 2.52 H new ATOM 0 HB3 LYS A 100 -1.340 6.298 3.021 1.00 2.52 H new ATOM 0 HG2 LYS A 100 -0.005 7.334 4.785 1.00 71.12 H new ATOM 0 HG3 LYS A 100 0.770 5.801 5.133 1.00 71.12 H new ATOM 0 HD2 LYS A 100 1.561 5.764 2.702 1.00 53.12 H new ATOM 0 HD3 LYS A 100 0.967 7.407 2.557 1.00 53.12 H new ATOM 0 HE2 LYS A 100 3.359 7.419 3.080 1.00 10.21 H new ATOM 0 HE3 LYS A 100 2.448 8.132 4.396 1.00 10.21 H new ATOM 0 HZ1 LYS A 100 4.271 6.411 4.913 1.00 11.05 H new ATOM 0 HZ2 LYS A 100 2.799 6.312 5.753 1.00 11.05 H new ATOM 0 HZ3 LYS A 100 3.113 5.254 4.463 1.00 11.05 H new ATOM 1365 N LEU A 101 -2.323 3.212 5.922 1.00 44.25 N ATOM 1366 CA LEU A 101 -2.085 2.133 6.832 1.00 31.51 C ATOM 1367 C LEU A 101 -1.307 1.081 6.116 1.00 63.52 C ATOM 1368 O LEU A 101 -1.706 0.642 5.037 1.00 52.14 O ATOM 1369 CB LEU A 101 -3.406 1.529 7.375 1.00 63.31 C ATOM 1370 CG LEU A 101 -4.335 2.434 8.216 1.00 43.21 C ATOM 1371 CD1 LEU A 101 -3.578 3.112 9.339 1.00 33.12 C ATOM 1372 CD2 LEU A 101 -5.096 3.448 7.360 1.00 35.35 C ATOM 0 H LEU A 101 -3.211 3.148 5.423 1.00 44.25 H new ATOM 0 HA LEU A 101 -1.529 2.515 7.689 1.00 31.51 H new ATOM 0 HB2 LEU A 101 -3.980 1.164 6.523 1.00 63.31 H new ATOM 0 HB3 LEU A 101 -3.150 0.661 7.982 1.00 63.31 H new ATOM 0 HG LEU A 101 -5.084 1.782 8.666 1.00 43.21 H new ATOM 0 HD11 LEU A 101 -4.261 3.741 9.910 1.00 33.12 H new ATOM 0 HD12 LEU A 101 -3.146 2.356 9.995 1.00 33.12 H new ATOM 0 HD13 LEU A 101 -2.782 3.728 8.921 1.00 33.12 H new ATOM 0 HD21 LEU A 101 -5.734 4.058 8.000 1.00 35.35 H new ATOM 0 HD22 LEU A 101 -4.386 4.089 6.838 1.00 35.35 H new ATOM 0 HD23 LEU A 101 -5.712 2.920 6.632 1.00 35.35 H new ATOM 1384 N VAL A 102 -0.200 0.702 6.662 1.00 12.24 N ATOM 1385 CA VAL A 102 0.599 -0.294 6.029 1.00 53.54 C ATOM 1386 C VAL A 102 0.721 -1.535 6.890 1.00 61.23 C ATOM 1387 O VAL A 102 0.855 -1.455 8.125 1.00 13.32 O ATOM 1388 CB VAL A 102 1.998 0.240 5.582 1.00 24.34 C ATOM 1389 CG1 VAL A 102 2.817 0.736 6.754 1.00 15.23 C ATOM 1390 CG2 VAL A 102 2.768 -0.806 4.764 1.00 4.35 C ATOM 0 H VAL A 102 0.171 1.064 7.540 1.00 12.24 H new ATOM 0 HA VAL A 102 0.076 -0.573 5.114 1.00 53.54 H new ATOM 0 HB VAL A 102 1.816 1.096 4.932 1.00 24.34 H new ATOM 0 HG11 VAL A 102 3.781 1.098 6.397 1.00 15.23 H new ATOM 0 HG12 VAL A 102 2.286 1.548 7.251 1.00 15.23 H new ATOM 0 HG13 VAL A 102 2.974 -0.080 7.459 1.00 15.23 H new ATOM 0 HG21 VAL A 102 3.736 -0.399 4.471 1.00 4.35 H new ATOM 0 HG22 VAL A 102 2.919 -1.701 5.368 1.00 4.35 H new ATOM 0 HG23 VAL A 102 2.197 -1.062 3.872 1.00 4.35 H new ATOM 1400 N TRP A 103 0.594 -2.651 6.245 1.00 33.41 N ATOM 1401 CA TRP A 103 0.769 -3.945 6.827 1.00 10.40 C ATOM 1402 C TRP A 103 1.941 -4.581 6.171 1.00 52.54 C ATOM 1403 O TRP A 103 2.141 -4.417 4.959 1.00 64.31 O ATOM 1404 CB TRP A 103 -0.440 -4.847 6.570 1.00 64.41 C ATOM 1405 CG TRP A 103 -1.671 -4.451 7.280 1.00 44.30 C ATOM 1406 CD1 TRP A 103 -2.121 -4.968 8.446 1.00 71.21 C ATOM 1407 CD2 TRP A 103 -2.621 -3.473 6.873 1.00 22.41 C ATOM 1408 NE1 TRP A 103 -3.282 -4.356 8.813 1.00 14.15 N ATOM 1409 CE2 TRP A 103 -3.615 -3.431 7.859 1.00 22.44 C ATOM 1410 CE3 TRP A 103 -2.723 -2.619 5.774 1.00 62.11 C ATOM 1411 CZ2 TRP A 103 -4.696 -2.574 7.783 1.00 21.14 C ATOM 1412 CZ3 TRP A 103 -3.798 -1.770 5.697 1.00 64.21 C ATOM 1413 CH2 TRP A 103 -4.769 -1.749 6.695 1.00 34.00 C ATOM 0 H TRP A 103 0.355 -2.687 5.254 1.00 33.41 H new ATOM 0 HA TRP A 103 0.900 -3.826 7.903 1.00 10.40 H new ATOM 0 HB2 TRP A 103 -0.644 -4.861 5.499 1.00 64.41 H new ATOM 0 HB3 TRP A 103 -0.183 -5.866 6.859 1.00 64.41 H new ATOM 0 HD1 TRP A 103 -1.631 -5.752 9.005 1.00 71.21 H new ATOM 0 HE1 TRP A 103 -3.816 -4.554 9.659 1.00 14.15 H new ATOM 0 HE3 TRP A 103 -1.971 -2.626 4.999 1.00 62.11 H new ATOM 0 HZ2 TRP A 103 -5.454 -2.556 8.553 1.00 21.14 H new ATOM 0 HZ3 TRP A 103 -3.893 -1.108 4.849 1.00 64.21 H new ATOM 0 HH2 TRP A 103 -5.600 -1.065 6.608 1.00 34.00 H new ATOM 1424 N LYS A 104 2.729 -5.257 6.925 1.00 20.20 N ATOM 1425 CA LYS A 104 3.775 -6.030 6.346 1.00 54.23 C ATOM 1426 C LYS A 104 3.499 -7.446 6.675 1.00 62.41 C ATOM 1427 O LYS A 104 3.358 -7.781 7.841 1.00 30.21 O ATOM 1428 CB LYS A 104 5.168 -5.611 6.836 1.00 1.52 C ATOM 1429 CG LYS A 104 5.584 -4.216 6.406 1.00 74.24 C ATOM 1430 CD LYS A 104 7.025 -3.929 6.779 1.00 72.11 C ATOM 1431 CE LYS A 104 7.476 -2.588 6.231 1.00 31.12 C ATOM 1432 NZ LYS A 104 8.896 -2.313 6.533 1.00 54.11 N ATOM 0 H LYS A 104 2.673 -5.293 7.943 1.00 20.20 H new ATOM 0 HA LYS A 104 3.791 -5.870 5.268 1.00 54.23 H new ATOM 0 HB2 LYS A 104 5.190 -5.665 7.924 1.00 1.52 H new ATOM 0 HB3 LYS A 104 5.902 -6.327 6.466 1.00 1.52 H new ATOM 0 HG2 LYS A 104 5.458 -4.113 5.328 1.00 74.24 H new ATOM 0 HG3 LYS A 104 4.932 -3.479 6.875 1.00 74.24 H new ATOM 0 HD2 LYS A 104 7.131 -3.936 7.864 1.00 72.11 H new ATOM 0 HD3 LYS A 104 7.668 -4.719 6.391 1.00 72.11 H new ATOM 0 HE2 LYS A 104 7.325 -2.569 5.152 1.00 31.12 H new ATOM 0 HE3 LYS A 104 6.856 -1.797 6.654 1.00 31.12 H new ATOM 0 HZ1 LYS A 104 9.161 -1.387 6.140 1.00 54.11 H new ATOM 0 HZ2 LYS A 104 9.037 -2.305 7.563 1.00 54.11 H new ATOM 0 HZ3 LYS A 104 9.491 -3.053 6.108 1.00 54.11 H new ATOM 1446 N SER A 105 3.351 -8.269 5.672 1.00 51.13 N ATOM 1447 CA SER A 105 3.090 -9.663 5.891 1.00 73.13 C ATOM 1448 C SER A 105 4.284 -10.262 6.585 1.00 2.24 C ATOM 1449 O SER A 105 5.403 -9.757 6.400 1.00 45.13 O ATOM 1450 CB SER A 105 2.790 -10.351 4.572 1.00 71.55 C ATOM 1451 OG SER A 105 1.681 -9.724 3.941 1.00 43.01 O ATOM 0 H SER A 105 3.407 -7.995 4.691 1.00 51.13 H new ATOM 0 HA SER A 105 2.213 -9.799 6.524 1.00 73.13 H new ATOM 0 HB2 SER A 105 3.663 -10.306 3.921 1.00 71.55 H new ATOM 0 HB3 SER A 105 2.574 -11.406 4.743 1.00 71.55 H new ATOM 0 HG SER A 105 1.197 -10.382 3.400 1.00 43.01 H new ATOM 1640 N TRP A 117 8.814 -10.508 2.433 1.00 65.12 N ATOM 1641 CA TRP A 117 7.551 -10.127 3.023 1.00 71.41 C ATOM 1642 C TRP A 117 6.675 -9.500 1.951 1.00 73.12 C ATOM 1643 O TRP A 117 7.141 -9.244 0.856 1.00 63.12 O ATOM 1644 CB TRP A 117 7.759 -9.162 4.215 1.00 43.24 C ATOM 1645 CG TRP A 117 8.494 -7.891 3.883 1.00 20.11 C ATOM 1646 CD1 TRP A 117 7.986 -6.808 3.252 1.00 32.45 C ATOM 1647 CD2 TRP A 117 9.853 -7.570 4.191 1.00 54.33 C ATOM 1648 NE1 TRP A 117 8.940 -5.835 3.120 1.00 2.32 N ATOM 1649 CE2 TRP A 117 10.097 -6.275 3.695 1.00 52.20 C ATOM 1650 CE3 TRP A 117 10.886 -8.251 4.832 1.00 0.01 C ATOM 1651 CZ2 TRP A 117 11.328 -5.653 3.820 1.00 24.42 C ATOM 1652 CZ3 TRP A 117 12.111 -7.628 4.957 1.00 12.15 C ATOM 1653 CH2 TRP A 117 12.322 -6.343 4.455 1.00 61.43 C ATOM 0 HA TRP A 117 7.055 -11.014 3.417 1.00 71.41 H new ATOM 0 HB2 TRP A 117 6.784 -8.903 4.628 1.00 43.24 H new ATOM 0 HB3 TRP A 117 8.307 -9.687 4.997 1.00 43.24 H new ATOM 0 HD1 TRP A 117 6.968 -6.723 2.901 1.00 32.45 H new ATOM 0 HE1 TRP A 117 8.808 -4.931 2.667 1.00 2.32 H new ATOM 0 HE3 TRP A 117 10.731 -9.246 5.223 1.00 0.01 H new ATOM 0 HZ2 TRP A 117 11.496 -4.660 3.430 1.00 24.42 H new ATOM 0 HZ3 TRP A 117 12.921 -8.144 5.452 1.00 12.15 H new ATOM 0 HH2 TRP A 117 13.293 -5.884 4.571 1.00 61.43 H new ATOM 1664 N ASP A 118 5.433 -9.276 2.246 1.00 2.44 N ATOM 1665 CA ASP A 118 4.528 -8.627 1.302 1.00 44.13 C ATOM 1666 C ASP A 118 4.081 -7.366 1.973 1.00 2.31 C ATOM 1667 O ASP A 118 3.808 -7.387 3.171 1.00 62.32 O ATOM 1668 CB ASP A 118 3.278 -9.491 1.008 1.00 23.02 C ATOM 1669 CG ASP A 118 3.585 -10.950 0.657 1.00 51.21 C ATOM 1670 OD1 ASP A 118 3.629 -11.813 1.561 1.00 53.42 O ATOM 1671 OD2 ASP A 118 3.782 -11.262 -0.540 1.00 62.15 O ATOM 0 H ASP A 118 5.004 -9.529 3.136 1.00 2.44 H new ATOM 0 HA ASP A 118 5.038 -8.459 0.353 1.00 44.13 H new ATOM 0 HB2 ASP A 118 2.624 -9.470 1.879 1.00 23.02 H new ATOM 0 HB3 ASP A 118 2.726 -9.040 0.184 1.00 23.02 H new ATOM 1676 N GLU A 119 4.003 -6.285 1.271 1.00 65.21 N ATOM 1677 CA GLU A 119 3.606 -5.038 1.908 1.00 21.53 C ATOM 1678 C GLU A 119 2.289 -4.567 1.367 1.00 72.43 C ATOM 1679 O GLU A 119 1.992 -4.740 0.181 1.00 1.40 O ATOM 1680 CB GLU A 119 4.677 -3.946 1.775 1.00 44.43 C ATOM 1681 CG GLU A 119 5.989 -4.312 2.417 1.00 3.11 C ATOM 1682 CD GLU A 119 7.041 -3.231 2.328 1.00 75.01 C ATOM 1683 OE1 GLU A 119 6.864 -2.163 2.927 1.00 43.13 O ATOM 1684 OE2 GLU A 119 8.107 -3.464 1.707 1.00 51.52 O ATOM 0 H GLU A 119 4.201 -6.221 0.273 1.00 65.21 H new ATOM 0 HA GLU A 119 3.495 -5.241 2.973 1.00 21.53 H new ATOM 0 HB2 GLU A 119 4.844 -3.738 0.718 1.00 44.43 H new ATOM 0 HB3 GLU A 119 4.305 -3.026 2.226 1.00 44.43 H new ATOM 0 HG2 GLU A 119 5.814 -4.549 3.467 1.00 3.11 H new ATOM 0 HG3 GLU A 119 6.372 -5.217 1.946 1.00 3.11 H new ATOM 1691 N ALA A 120 1.486 -4.025 2.231 1.00 34.50 N ATOM 1692 CA ALA A 120 0.190 -3.546 1.864 1.00 73.22 C ATOM 1693 C ALA A 120 -0.041 -2.179 2.453 1.00 25.33 C ATOM 1694 O ALA A 120 -0.060 -2.024 3.658 1.00 15.31 O ATOM 1695 CB ALA A 120 -0.859 -4.513 2.363 1.00 13.33 C ATOM 0 H ALA A 120 1.714 -3.902 3.218 1.00 34.50 H new ATOM 0 HA ALA A 120 0.124 -3.471 0.779 1.00 73.22 H new ATOM 0 HB1 ALA A 120 -1.849 -4.151 2.085 1.00 13.33 H new ATOM 0 HB2 ALA A 120 -0.692 -5.493 1.916 1.00 13.33 H new ATOM 0 HB3 ALA A 120 -0.793 -4.593 3.448 1.00 13.33 H new ATOM 1701 N GLU A 121 -0.211 -1.208 1.605 1.00 31.54 N ATOM 1702 CA GLU A 121 -0.444 0.166 2.014 1.00 4.23 C ATOM 1703 C GLU A 121 -1.819 0.627 1.560 1.00 53.52 C ATOM 1704 O GLU A 121 -2.060 0.784 0.379 1.00 0.55 O ATOM 1705 CB GLU A 121 0.611 1.102 1.412 1.00 3.43 C ATOM 1706 CG GLU A 121 2.032 0.839 1.862 1.00 62.31 C ATOM 1707 CD GLU A 121 3.005 1.855 1.336 1.00 65.11 C ATOM 1708 OE1 GLU A 121 2.689 3.072 1.370 1.00 21.22 O ATOM 1709 OE2 GLU A 121 4.115 1.482 0.923 1.00 71.03 O ATOM 0 H GLU A 121 -0.193 -1.339 0.594 1.00 31.54 H new ATOM 0 HA GLU A 121 -0.381 0.202 3.102 1.00 4.23 H new ATOM 0 HB2 GLU A 121 0.569 1.021 0.326 1.00 3.43 H new ATOM 0 HB3 GLU A 121 0.350 2.130 1.665 1.00 3.43 H new ATOM 0 HG2 GLU A 121 2.069 0.837 2.951 1.00 62.31 H new ATOM 0 HG3 GLU A 121 2.336 -0.154 1.531 1.00 62.31 H new ATOM 1716 N ALA A 122 -2.706 0.826 2.481 1.00 25.22 N ATOM 1717 CA ALA A 122 -4.017 1.323 2.172 1.00 74.31 C ATOM 1718 C ALA A 122 -4.077 2.826 2.407 1.00 14.53 C ATOM 1719 O ALA A 122 -3.956 3.292 3.542 1.00 14.42 O ATOM 1720 CB ALA A 122 -5.072 0.600 2.995 1.00 41.44 C ATOM 0 H ALA A 122 -2.546 0.649 3.473 1.00 25.22 H new ATOM 0 HA ALA A 122 -4.225 1.132 1.119 1.00 74.31 H new ATOM 0 HB1 ALA A 122 -6.059 0.991 2.746 1.00 41.44 H new ATOM 0 HB2 ALA A 122 -5.038 -0.467 2.774 1.00 41.44 H new ATOM 0 HB3 ALA A 122 -4.876 0.757 4.056 1.00 41.44 H new ATOM 1726 N TYR A 123 -4.249 3.565 1.337 1.00 71.23 N ATOM 1727 CA TYR A 123 -4.299 5.009 1.376 1.00 41.44 C ATOM 1728 C TYR A 123 -5.750 5.438 1.384 1.00 14.13 C ATOM 1729 O TYR A 123 -6.515 5.126 0.455 1.00 55.41 O ATOM 1730 CB TYR A 123 -3.616 5.621 0.134 1.00 74.51 C ATOM 1731 CG TYR A 123 -2.235 5.083 -0.167 1.00 11.13 C ATOM 1732 CD1 TYR A 123 -1.096 5.730 0.277 1.00 53.10 C ATOM 1733 CD2 TYR A 123 -2.080 3.923 -0.907 1.00 42.20 C ATOM 1734 CE1 TYR A 123 0.157 5.230 -0.008 1.00 0.21 C ATOM 1735 CE2 TYR A 123 -0.846 3.419 -1.191 1.00 15.41 C ATOM 1736 CZ TYR A 123 0.274 4.071 -0.742 1.00 2.10 C ATOM 1737 OH TYR A 123 1.520 3.571 -1.040 1.00 23.11 O ATOM 0 H TYR A 123 -4.360 3.176 0.401 1.00 71.23 H new ATOM 0 HA TYR A 123 -3.778 5.354 2.269 1.00 41.44 H new ATOM 0 HB2 TYR A 123 -4.253 5.450 -0.734 1.00 74.51 H new ATOM 0 HB3 TYR A 123 -3.547 6.700 0.271 1.00 74.51 H new ATOM 0 HD1 TYR A 123 -1.189 6.638 0.854 1.00 53.10 H new ATOM 0 HD2 TYR A 123 -2.957 3.406 -1.267 1.00 42.20 H new ATOM 0 HE1 TYR A 123 1.040 5.744 0.342 1.00 0.21 H new ATOM 0 HE2 TYR A 123 -0.750 2.510 -1.767 1.00 15.41 H new ATOM 0 HH TYR A 123 2.028 3.444 -0.212 1.00 23.11 H new ATOM 1747 N ILE A 124 -6.122 6.120 2.407 1.00 21.23 N ATOM 1748 CA ILE A 124 -7.461 6.628 2.585 1.00 41.00 C ATOM 1749 C ILE A 124 -7.357 8.122 2.647 1.00 4.41 C ATOM 1750 O ILE A 124 -6.356 8.639 3.151 1.00 23.12 O ATOM 1751 CB ILE A 124 -8.067 6.124 3.933 1.00 11.43 C ATOM 1752 CG1 ILE A 124 -8.158 4.608 3.950 1.00 31.14 C ATOM 1753 CG2 ILE A 124 -9.433 6.748 4.227 1.00 3.43 C ATOM 1754 CD1 ILE A 124 -8.765 4.048 5.225 1.00 21.53 C ATOM 0 H ILE A 124 -5.493 6.355 3.175 1.00 21.23 H new ATOM 0 HA ILE A 124 -8.098 6.291 1.767 1.00 41.00 H new ATOM 0 HB ILE A 124 -7.390 6.445 4.725 1.00 11.43 H new ATOM 0 HG12 ILE A 124 -8.754 4.279 3.099 1.00 31.14 H new ATOM 0 HG13 ILE A 124 -7.159 4.191 3.820 1.00 31.14 H new ATOM 0 HG21 ILE A 124 -9.811 6.365 5.175 1.00 3.43 H new ATOM 0 HG22 ILE A 124 -9.333 7.832 4.287 1.00 3.43 H new ATOM 0 HG23 ILE A 124 -10.129 6.492 3.428 1.00 3.43 H new ATOM 0 HD11 ILE A 124 -8.798 2.960 5.165 1.00 21.53 H new ATOM 0 HD12 ILE A 124 -8.157 4.346 6.079 1.00 21.53 H new ATOM 0 HD13 ILE A 124 -9.777 4.435 5.347 1.00 21.53 H new ATOM 1766 N TRP A 125 -8.315 8.823 2.129 1.00 11.22 N ATOM 1767 CA TRP A 125 -8.286 10.235 2.291 1.00 0.12 C ATOM 1768 C TRP A 125 -9.535 10.634 3.026 1.00 25.42 C ATOM 1769 O TRP A 125 -10.599 9.959 2.892 1.00 3.23 O ATOM 1770 CB TRP A 125 -8.110 11.008 0.948 1.00 3.12 C ATOM 1771 CG TRP A 125 -9.375 11.449 0.256 1.00 52.13 C ATOM 1772 CD1 TRP A 125 -9.879 12.722 0.226 1.00 33.24 C ATOM 1773 CD2 TRP A 125 -10.285 10.644 -0.492 1.00 63.33 C ATOM 1774 NE1 TRP A 125 -11.041 12.754 -0.497 1.00 13.44 N ATOM 1775 CE2 TRP A 125 -11.315 11.492 -0.948 1.00 52.01 C ATOM 1776 CE3 TRP A 125 -10.330 9.295 -0.818 1.00 45.25 C ATOM 1777 CZ2 TRP A 125 -12.372 11.026 -1.717 1.00 24.32 C ATOM 1778 CZ3 TRP A 125 -11.373 8.829 -1.574 1.00 40.40 C ATOM 1779 CH2 TRP A 125 -12.388 9.695 -2.020 1.00 13.02 C ATOM 0 H TRP A 125 -9.106 8.451 1.604 1.00 11.22 H new ATOM 0 HA TRP A 125 -7.405 10.512 2.871 1.00 0.12 H new ATOM 0 HB2 TRP A 125 -7.500 11.891 1.140 1.00 3.12 H new ATOM 0 HB3 TRP A 125 -7.548 10.375 0.261 1.00 3.12 H new ATOM 0 HD1 TRP A 125 -9.425 13.578 0.704 1.00 33.24 H new ATOM 0 HE1 TRP A 125 -11.609 13.583 -0.671 1.00 13.44 H new ATOM 0 HE3 TRP A 125 -9.554 8.623 -0.481 1.00 45.25 H new ATOM 0 HZ2 TRP A 125 -13.151 11.690 -2.062 1.00 24.32 H new ATOM 0 HZ3 TRP A 125 -11.417 7.781 -1.831 1.00 40.40 H new ATOM 0 HH2 TRP A 125 -13.197 9.298 -2.615 1.00 13.02 H new ATOM 1790 N ARG A 126 -9.422 11.641 3.840 1.00 51.32 N ATOM 1791 CA ARG A 126 -10.547 12.132 4.530 1.00 32.01 C ATOM 1792 C ARG A 126 -11.112 13.232 3.696 1.00 24.03 C ATOM 1793 O ARG A 126 -10.518 14.308 3.568 1.00 44.11 O ATOM 1794 CB ARG A 126 -10.232 12.595 5.968 1.00 74.24 C ATOM 1795 CG ARG A 126 -11.500 12.857 6.788 1.00 40.24 C ATOM 1796 CD ARG A 126 -11.224 13.099 8.271 1.00 20.14 C ATOM 1797 NE ARG A 126 -10.606 14.401 8.562 1.00 4.32 N ATOM 1798 CZ ARG A 126 -10.228 14.803 9.799 1.00 45.52 C ATOM 1799 NH1 ARG A 126 -10.235 13.946 10.821 1.00 75.24 N ATOM 1800 NH2 ARG A 126 -9.810 16.042 9.998 1.00 14.44 N ATOM 0 H ARG A 126 -8.550 12.133 4.034 1.00 51.32 H new ATOM 0 HA ARG A 126 -11.273 11.331 4.666 1.00 32.01 H new ATOM 0 HB2 ARG A 126 -9.630 11.836 6.468 1.00 74.24 H new ATOM 0 HB3 ARG A 126 -9.632 13.504 5.931 1.00 74.24 H new ATOM 0 HG2 ARG A 126 -12.018 13.723 6.376 1.00 40.24 H new ATOM 0 HG3 ARG A 126 -12.173 12.005 6.685 1.00 40.24 H new ATOM 0 HD2 ARG A 126 -12.162 13.023 8.821 1.00 20.14 H new ATOM 0 HD3 ARG A 126 -10.572 12.308 8.642 1.00 20.14 H new ATOM 0 HE ARG A 126 -10.452 15.042 7.783 1.00 4.32 H new ATOM 0 HH11 ARG A 126 -10.527 12.980 10.674 1.00 75.24 H new ATOM 0 HH12 ARG A 126 -9.949 14.257 11.749 1.00 75.24 H new ATOM 0 HH21 ARG A 126 -9.771 16.699 9.218 1.00 14.44 H new ATOM 0 HH22 ARG A 126 -9.526 16.341 10.931 1.00 14.44 H new ATOM 1814 N ARG A 127 -12.211 12.909 3.081 1.00 23.42 N ATOM 1815 CA ARG A 127 -12.940 13.755 2.194 1.00 72.32 C ATOM 1816 C ARG A 127 -13.330 15.014 2.952 1.00 24.43 C ATOM 1817 O ARG A 127 -13.611 14.952 4.151 1.00 11.33 O ATOM 1818 CB ARG A 127 -14.182 12.969 1.733 1.00 4.02 C ATOM 1819 CG ARG A 127 -15.090 13.653 0.732 1.00 33.25 C ATOM 1820 CD ARG A 127 -16.287 12.766 0.426 1.00 14.15 C ATOM 1821 NE ARG A 127 -17.268 13.423 -0.440 1.00 41.54 N ATOM 1822 CZ ARG A 127 -18.571 13.111 -0.514 1.00 65.42 C ATOM 1823 NH1 ARG A 127 -19.076 12.118 0.228 1.00 31.11 N ATOM 1824 NH2 ARG A 127 -19.360 13.782 -1.342 1.00 43.43 N ATOM 0 H ARG A 127 -12.645 11.993 3.195 1.00 23.42 H new ATOM 0 HA ARG A 127 -12.354 14.047 1.322 1.00 72.32 H new ATOM 0 HB2 ARG A 127 -13.846 12.027 1.299 1.00 4.02 H new ATOM 0 HB3 ARG A 127 -14.774 12.721 2.614 1.00 4.02 H new ATOM 0 HG2 ARG A 127 -15.428 14.610 1.130 1.00 33.25 H new ATOM 0 HG3 ARG A 127 -14.540 13.865 -0.185 1.00 33.25 H new ATOM 0 HD2 ARG A 127 -15.942 11.849 -0.052 1.00 14.15 H new ATOM 0 HD3 ARG A 127 -16.769 12.477 1.360 1.00 14.15 H new ATOM 0 HE ARG A 127 -16.933 14.180 -1.036 1.00 41.54 H new ATOM 0 HH11 ARG A 127 -18.469 11.591 0.856 1.00 31.11 H new ATOM 0 HH12 ARG A 127 -20.068 11.888 0.165 1.00 31.11 H new ATOM 0 HH21 ARG A 127 -18.976 14.531 -1.918 1.00 43.43 H new ATOM 0 HH22 ARG A 127 -20.351 13.549 -1.403 1.00 43.43 H new ATOM 1838 N LYS A 128 -13.358 16.139 2.265 1.00 31.11 N ATOM 1839 CA LYS A 128 -13.656 17.444 2.877 1.00 23.42 C ATOM 1840 C LYS A 128 -15.074 17.453 3.485 1.00 14.50 C ATOM 1841 O LYS A 128 -15.403 18.268 4.346 1.00 1.22 O ATOM 1842 CB LYS A 128 -13.464 18.538 1.827 1.00 31.25 C ATOM 1843 CG LYS A 128 -13.524 19.974 2.346 1.00 65.42 C ATOM 1844 CD LYS A 128 -13.247 20.972 1.225 1.00 61.25 C ATOM 1845 CE LYS A 128 -11.839 20.799 0.646 1.00 51.30 C ATOM 1846 NZ LYS A 128 -11.620 21.627 -0.549 1.00 40.44 N ATOM 0 H LYS A 128 -13.176 16.187 1.263 1.00 31.11 H new ATOM 0 HA LYS A 128 -12.969 17.636 3.701 1.00 23.42 H new ATOM 0 HB2 LYS A 128 -12.499 18.386 1.343 1.00 31.25 H new ATOM 0 HB3 LYS A 128 -14.228 18.417 1.059 1.00 31.25 H new ATOM 0 HG2 LYS A 128 -14.506 20.168 2.776 1.00 65.42 H new ATOM 0 HG3 LYS A 128 -12.794 20.107 3.145 1.00 65.42 H new ATOM 0 HD2 LYS A 128 -13.984 20.843 0.433 1.00 61.25 H new ATOM 0 HD3 LYS A 128 -13.362 21.987 1.605 1.00 61.25 H new ATOM 0 HE2 LYS A 128 -11.102 21.060 1.406 1.00 51.30 H new ATOM 0 HE3 LYS A 128 -11.679 19.751 0.393 1.00 51.30 H new ATOM 0 HZ1 LYS A 128 -10.654 21.476 -0.904 1.00 40.44 H new ATOM 0 HZ2 LYS A 128 -12.305 21.362 -1.285 1.00 40.44 H new ATOM 0 HZ3 LYS A 128 -11.746 22.630 -0.304 1.00 40.44 H new ATOM 1860 N ASP A 129 -15.873 16.501 3.042 1.00 71.30 N ATOM 1861 CA ASP A 129 -17.213 16.229 3.568 1.00 74.34 C ATOM 1862 C ASP A 129 -17.144 15.750 5.029 1.00 43.45 C ATOM 1863 O ASP A 129 -18.114 15.852 5.768 1.00 42.10 O ATOM 1864 CB ASP A 129 -17.844 15.138 2.687 1.00 1.32 C ATOM 1865 CG ASP A 129 -19.102 14.514 3.248 1.00 42.42 C ATOM 1866 OD1 ASP A 129 -20.200 15.084 3.075 1.00 2.01 O ATOM 1867 OD2 ASP A 129 -19.011 13.412 3.837 1.00 53.34 O ATOM 0 H ASP A 129 -15.607 15.873 2.284 1.00 71.30 H new ATOM 0 HA ASP A 129 -17.812 17.140 3.549 1.00 74.34 H new ATOM 0 HB2 ASP A 129 -18.073 15.567 1.711 1.00 1.32 H new ATOM 0 HB3 ASP A 129 -17.107 14.351 2.525 1.00 1.32 H new ATOM 1872 N GLY A 130 -15.972 15.313 5.451 1.00 64.03 N ATOM 1873 CA GLY A 130 -15.779 14.877 6.811 1.00 42.24 C ATOM 1874 C GLY A 130 -15.625 13.378 6.926 1.00 24.54 C ATOM 1875 O GLY A 130 -15.158 12.879 7.941 1.00 54.01 O ATOM 0 H GLY A 130 -15.140 15.253 4.865 1.00 64.03 H new ATOM 0 HA2 GLY A 130 -14.893 15.362 7.222 1.00 42.24 H new ATOM 0 HA3 GLY A 130 -16.627 15.199 7.415 1.00 42.24 H new ATOM 1879 N SER A 131 -16.012 12.672 5.898 1.00 42.41 N ATOM 1880 CA SER A 131 -15.952 11.245 5.869 1.00 33.11 C ATOM 1881 C SER A 131 -14.630 10.803 5.248 1.00 31.14 C ATOM 1882 O SER A 131 -13.846 11.631 4.817 1.00 35.00 O ATOM 1883 CB SER A 131 -17.149 10.742 5.065 1.00 24.30 C ATOM 1884 OG SER A 131 -17.264 11.465 3.832 1.00 23.13 O ATOM 0 H SER A 131 -16.384 13.086 5.043 1.00 42.41 H new ATOM 0 HA SER A 131 -15.997 10.827 6.875 1.00 33.11 H new ATOM 0 HB2 SER A 131 -17.036 9.677 4.860 1.00 24.30 H new ATOM 0 HB3 SER A 131 -18.062 10.859 5.649 1.00 24.30 H new ATOM 0 HG SER A 131 -17.841 12.246 3.963 1.00 23.13 H new ATOM 1890 N CYS A 132 -14.386 9.540 5.199 1.00 45.11 N ATOM 1891 CA CYS A 132 -13.159 9.036 4.631 1.00 12.03 C ATOM 1892 C CYS A 132 -13.468 7.931 3.652 1.00 11.13 C ATOM 1893 O CYS A 132 -14.398 7.144 3.869 1.00 14.51 O ATOM 1894 CB CYS A 132 -12.228 8.520 5.730 1.00 54.33 C ATOM 1895 SG CYS A 132 -12.890 7.114 6.652 1.00 42.42 S ATOM 0 H CYS A 132 -15.020 8.820 5.546 1.00 45.11 H new ATOM 0 HA CYS A 132 -12.655 9.849 4.109 1.00 12.03 H new ATOM 0 HB2 CYS A 132 -11.277 8.232 5.281 1.00 54.33 H new ATOM 0 HB3 CYS A 132 -12.019 9.332 6.426 1.00 54.33 H new ATOM 0 HG CYS A 132 -11.947 6.587 7.376 1.00 42.42 H new ATOM 1901 N TRP A 133 -12.722 7.859 2.591 1.00 42.44 N ATOM 1902 CA TRP A 133 -12.934 6.842 1.617 1.00 61.30 C ATOM 1903 C TRP A 133 -11.589 6.326 1.149 1.00 51.23 C ATOM 1904 O TRP A 133 -10.552 7.028 1.266 1.00 65.35 O ATOM 1905 CB TRP A 133 -13.790 7.360 0.443 1.00 0.11 C ATOM 1906 CG TRP A 133 -14.504 6.266 -0.316 1.00 65.53 C ATOM 1907 CD1 TRP A 133 -15.377 5.377 0.215 1.00 13.24 C ATOM 1908 CD2 TRP A 133 -14.441 5.966 -1.725 1.00 44.40 C ATOM 1909 NE1 TRP A 133 -15.863 4.542 -0.751 1.00 11.12 N ATOM 1910 CE2 TRP A 133 -15.306 4.881 -1.953 1.00 44.24 C ATOM 1911 CE3 TRP A 133 -13.747 6.502 -2.811 1.00 53.41 C ATOM 1912 CZ2 TRP A 133 -15.490 4.325 -3.218 1.00 10.14 C ATOM 1913 CZ3 TRP A 133 -13.932 5.949 -4.060 1.00 14.53 C ATOM 1914 CH2 TRP A 133 -14.797 4.873 -4.254 1.00 42.42 C ATOM 0 H TRP A 133 -11.957 8.500 2.381 1.00 42.44 H new ATOM 0 HA TRP A 133 -13.493 6.020 2.065 1.00 61.30 H new ATOM 0 HB2 TRP A 133 -14.527 8.065 0.826 1.00 0.11 H new ATOM 0 HB3 TRP A 133 -13.150 7.911 -0.247 1.00 0.11 H new ATOM 0 HD1 TRP A 133 -15.651 5.334 1.259 1.00 13.24 H new ATOM 0 HE1 TRP A 133 -16.533 3.788 -0.600 1.00 11.12 H new ATOM 0 HE3 TRP A 133 -13.076 7.337 -2.675 1.00 53.41 H new ATOM 0 HZ2 TRP A 133 -16.158 3.490 -3.371 1.00 10.14 H new ATOM 0 HZ3 TRP A 133 -13.397 6.357 -4.905 1.00 14.53 H new ATOM 0 HH2 TRP A 133 -14.920 4.466 -5.247 1.00 42.42 H new ATOM 1925 N LEU A 134 -11.597 5.114 0.680 1.00 71.54 N ATOM 1926 CA LEU A 134 -10.428 4.432 0.210 1.00 53.42 C ATOM 1927 C LEU A 134 -9.945 5.113 -1.062 1.00 62.41 C ATOM 1928 O LEU A 134 -10.615 5.081 -2.101 1.00 53.14 O ATOM 1929 CB LEU A 134 -10.730 2.927 -0.048 1.00 42.32 C ATOM 1930 CG LEU A 134 -10.944 1.964 1.167 1.00 40.50 C ATOM 1931 CD1 LEU A 134 -9.654 1.756 1.931 1.00 14.22 C ATOM 1932 CD2 LEU A 134 -12.049 2.436 2.113 1.00 41.03 C ATOM 0 H LEU A 134 -12.447 4.554 0.612 1.00 71.54 H new ATOM 0 HA LEU A 134 -9.647 4.481 0.969 1.00 53.42 H new ATOM 0 HB2 LEU A 134 -11.625 2.875 -0.667 1.00 42.32 H new ATOM 0 HB3 LEU A 134 -9.908 2.526 -0.642 1.00 42.32 H new ATOM 0 HG LEU A 134 -11.267 1.011 0.747 1.00 40.50 H new ATOM 0 HD11 LEU A 134 -9.832 1.083 2.770 1.00 14.22 H new ATOM 0 HD12 LEU A 134 -8.905 1.321 1.269 1.00 14.22 H new ATOM 0 HD13 LEU A 134 -9.294 2.714 2.305 1.00 14.22 H new ATOM 0 HD21 LEU A 134 -12.151 1.728 2.935 1.00 41.03 H new ATOM 0 HD22 LEU A 134 -11.793 3.419 2.510 1.00 41.03 H new ATOM 0 HD23 LEU A 134 -12.992 2.498 1.569 1.00 41.03 H new ATOM 1944 N HIS A 135 -8.816 5.751 -0.960 1.00 22.42 N ATOM 1945 CA HIS A 135 -8.256 6.486 -2.055 1.00 23.34 C ATOM 1946 C HIS A 135 -7.652 5.486 -3.021 1.00 41.34 C ATOM 1947 O HIS A 135 -8.067 5.354 -4.172 1.00 50.12 O ATOM 1948 CB HIS A 135 -7.178 7.460 -1.528 1.00 22.12 C ATOM 1949 CG HIS A 135 -6.646 8.424 -2.541 1.00 43.03 C ATOM 1950 ND1 HIS A 135 -5.436 8.285 -3.193 1.00 41.30 N ATOM 1951 CD2 HIS A 135 -7.178 9.582 -2.986 1.00 62.03 C ATOM 1952 CE1 HIS A 135 -5.278 9.337 -3.991 1.00 43.34 C ATOM 1953 NE2 HIS A 135 -6.309 10.162 -3.906 1.00 32.14 N ATOM 0 H HIS A 135 -8.254 5.776 -0.109 1.00 22.42 H new ATOM 0 HA HIS A 135 -9.021 7.074 -2.562 1.00 23.34 H new ATOM 0 HB2 HIS A 135 -7.597 8.026 -0.696 1.00 22.12 H new ATOM 0 HB3 HIS A 135 -6.346 6.878 -1.131 1.00 22.12 H new ATOM 0 HD2 HIS A 135 -8.128 9.993 -2.677 1.00 62.03 H new ATOM 0 HE1 HIS A 135 -4.419 9.497 -4.626 1.00 43.34 H new ATOM 0 HE2 HIS A 135 -6.440 11.039 -4.409 1.00 32.14 H new ATOM 1961 N SER A 136 -6.710 4.750 -2.534 1.00 61.51 N ATOM 1962 CA SER A 136 -6.036 3.746 -3.305 1.00 34.50 C ATOM 1963 C SER A 136 -5.382 2.831 -2.316 1.00 34.02 C ATOM 1964 O SER A 136 -5.080 3.258 -1.232 1.00 41.23 O ATOM 1965 CB SER A 136 -4.953 4.370 -4.220 1.00 73.01 C ATOM 1966 OG SER A 136 -5.468 5.421 -5.045 1.00 70.00 O ATOM 0 H SER A 136 -6.377 4.826 -1.573 1.00 61.51 H new ATOM 0 HA SER A 136 -6.743 3.224 -3.950 1.00 34.50 H new ATOM 0 HB2 SER A 136 -4.143 4.761 -3.604 1.00 73.01 H new ATOM 0 HB3 SER A 136 -4.525 3.592 -4.853 1.00 73.01 H new ATOM 0 HG SER A 136 -5.473 6.261 -4.540 1.00 70.00 H new ATOM 1972 N VAL A 137 -5.210 1.595 -2.628 1.00 22.34 N ATOM 1973 CA VAL A 137 -4.507 0.719 -1.734 1.00 71.14 C ATOM 1974 C VAL A 137 -3.514 -0.055 -2.565 1.00 60.51 C ATOM 1975 O VAL A 137 -3.823 -0.464 -3.658 1.00 61.53 O ATOM 1976 CB VAL A 137 -5.437 -0.232 -0.884 1.00 62.33 C ATOM 1977 CG1 VAL A 137 -6.579 0.517 -0.212 1.00 51.42 C ATOM 1978 CG2 VAL A 137 -5.960 -1.398 -1.663 1.00 53.22 C ATOM 0 H VAL A 137 -5.541 1.161 -3.489 1.00 22.34 H new ATOM 0 HA VAL A 137 -4.005 1.322 -0.977 1.00 71.14 H new ATOM 0 HB VAL A 137 -4.791 -0.631 -0.102 1.00 62.33 H new ATOM 0 HG11 VAL A 137 -7.187 -0.184 0.359 1.00 51.42 H new ATOM 0 HG12 VAL A 137 -6.173 1.275 0.458 1.00 51.42 H new ATOM 0 HG13 VAL A 137 -7.196 0.997 -0.972 1.00 51.42 H new ATOM 0 HG21 VAL A 137 -6.592 -2.011 -1.020 1.00 53.22 H new ATOM 0 HG22 VAL A 137 -6.545 -1.037 -2.509 1.00 53.22 H new ATOM 0 HG23 VAL A 137 -5.125 -1.996 -2.028 1.00 53.22 H new ATOM 1988 N LYS A 138 -2.338 -0.182 -2.093 1.00 44.21 N ATOM 1989 CA LYS A 138 -1.282 -0.795 -2.833 1.00 73.41 C ATOM 1990 C LYS A 138 -0.817 -2.066 -2.154 1.00 3.55 C ATOM 1991 O LYS A 138 -0.560 -2.076 -0.956 1.00 42.24 O ATOM 1992 CB LYS A 138 -0.129 0.199 -2.932 1.00 62.34 C ATOM 1993 CG LYS A 138 1.057 -0.268 -3.738 1.00 13.42 C ATOM 1994 CD LYS A 138 2.149 0.775 -3.704 1.00 24.31 C ATOM 1995 CE LYS A 138 3.336 0.364 -4.540 1.00 51.11 C ATOM 1996 NZ LYS A 138 4.406 1.379 -4.517 1.00 72.20 N ATOM 0 H LYS A 138 -2.064 0.139 -1.164 1.00 44.21 H new ATOM 0 HA LYS A 138 -1.639 -1.061 -3.828 1.00 73.41 H new ATOM 0 HB2 LYS A 138 -0.505 1.123 -3.371 1.00 62.34 H new ATOM 0 HB3 LYS A 138 0.209 0.439 -1.924 1.00 62.34 H new ATOM 0 HG2 LYS A 138 1.431 -1.210 -3.338 1.00 13.42 H new ATOM 0 HG3 LYS A 138 0.755 -0.457 -4.768 1.00 13.42 H new ATOM 0 HD2 LYS A 138 1.757 1.725 -4.069 1.00 24.31 H new ATOM 0 HD3 LYS A 138 2.467 0.936 -2.674 1.00 24.31 H new ATOM 0 HE2 LYS A 138 3.728 -0.584 -4.172 1.00 51.11 H new ATOM 0 HE3 LYS A 138 3.015 0.199 -5.569 1.00 51.11 H new ATOM 0 HZ1 LYS A 138 5.202 1.057 -5.104 1.00 72.20 H new ATOM 0 HZ2 LYS A 138 4.040 2.277 -4.892 1.00 72.20 H new ATOM 0 HZ3 LYS A 138 4.731 1.519 -3.539 1.00 72.20 H new ATOM 2010 N PHE A 139 -0.710 -3.118 -2.916 1.00 11.00 N ATOM 2011 CA PHE A 139 -0.218 -4.367 -2.434 1.00 33.40 C ATOM 2012 C PHE A 139 0.997 -4.712 -3.216 1.00 71.53 C ATOM 2013 O PHE A 139 0.967 -4.718 -4.442 1.00 12.15 O ATOM 2014 CB PHE A 139 -1.247 -5.470 -2.607 1.00 2.23 C ATOM 2015 CG PHE A 139 -2.500 -5.210 -1.865 1.00 3.14 C ATOM 2016 CD1 PHE A 139 -3.658 -4.880 -2.526 1.00 41.41 C ATOM 2017 CD2 PHE A 139 -2.508 -5.273 -0.498 1.00 62.43 C ATOM 2018 CE1 PHE A 139 -4.807 -4.617 -1.817 1.00 43.01 C ATOM 2019 CE2 PHE A 139 -3.646 -5.015 0.216 1.00 44.33 C ATOM 2020 CZ PHE A 139 -4.801 -4.684 -0.441 1.00 21.42 C ATOM 0 H PHE A 139 -0.967 -3.127 -3.903 1.00 11.00 H new ATOM 0 HA PHE A 139 0.005 -4.277 -1.371 1.00 33.40 H new ATOM 0 HB2 PHE A 139 -1.475 -5.584 -3.667 1.00 2.23 H new ATOM 0 HB3 PHE A 139 -0.820 -6.414 -2.269 1.00 2.23 H new ATOM 0 HD1 PHE A 139 -3.666 -4.827 -3.605 1.00 41.41 H new ATOM 0 HD2 PHE A 139 -1.600 -5.531 0.026 1.00 62.43 H new ATOM 0 HE1 PHE A 139 -5.716 -4.357 -2.340 1.00 43.01 H new ATOM 0 HE2 PHE A 139 -3.634 -5.072 1.294 1.00 44.33 H new ATOM 0 HZ PHE A 139 -5.702 -4.477 0.117 1.00 21.42 H new ATOM 2030 N ILE A 140 2.053 -4.972 -2.549 1.00 43.14 N ATOM 2031 CA ILE A 140 3.273 -5.339 -3.199 1.00 61.14 C ATOM 2032 C ILE A 140 3.736 -6.621 -2.612 1.00 54.22 C ATOM 2033 O ILE A 140 4.298 -6.676 -1.515 1.00 4.42 O ATOM 2034 CB ILE A 140 4.355 -4.222 -3.160 1.00 40.52 C ATOM 2035 CG1 ILE A 140 4.423 -3.577 -1.769 1.00 31.13 C ATOM 2036 CG2 ILE A 140 4.107 -3.187 -4.254 1.00 53.44 C ATOM 2037 CD1 ILE A 140 5.376 -2.409 -1.647 1.00 63.44 C ATOM 0 H ILE A 140 2.109 -4.940 -1.531 1.00 43.14 H new ATOM 0 HA ILE A 140 3.085 -5.474 -4.264 1.00 61.14 H new ATOM 0 HB ILE A 140 5.326 -4.676 -3.356 1.00 40.52 H new ATOM 0 HG12 ILE A 140 3.424 -3.240 -1.493 1.00 31.13 H new ATOM 0 HG13 ILE A 140 4.714 -4.339 -1.046 1.00 31.13 H new ATOM 0 HG21 ILE A 140 4.876 -2.416 -4.207 1.00 53.44 H new ATOM 0 HG22 ILE A 140 4.140 -3.673 -5.229 1.00 53.44 H new ATOM 0 HG23 ILE A 140 3.127 -2.731 -4.109 1.00 53.44 H new ATOM 0 HD11 ILE A 140 5.351 -2.024 -0.628 1.00 63.44 H new ATOM 0 HD12 ILE A 140 6.387 -2.738 -1.886 1.00 63.44 H new ATOM 0 HD13 ILE A 140 5.077 -1.622 -2.339 1.00 63.44 H new ATOM 2049 N MET A 141 3.437 -7.655 -3.313 1.00 31.25 N ATOM 2050 CA MET A 141 3.634 -8.979 -2.826 1.00 71.15 C ATOM 2051 C MET A 141 5.003 -9.487 -3.125 1.00 43.12 C ATOM 2052 O MET A 141 5.464 -9.465 -4.273 1.00 11.12 O ATOM 2053 CB MET A 141 2.556 -9.911 -3.362 1.00 12.44 C ATOM 2054 CG MET A 141 1.151 -9.523 -2.918 1.00 23.14 C ATOM 2055 SD MET A 141 -0.140 -10.567 -3.627 1.00 24.34 S ATOM 2056 CE MET A 141 0.081 -10.243 -5.377 1.00 43.22 C ATOM 0 H MET A 141 3.044 -7.609 -4.253 1.00 31.25 H new ATOM 0 HA MET A 141 3.546 -8.951 -1.740 1.00 71.15 H new ATOM 0 HB2 MET A 141 2.597 -9.915 -4.451 1.00 12.44 H new ATOM 0 HB3 MET A 141 2.767 -10.928 -3.031 1.00 12.44 H new ATOM 0 HG2 MET A 141 1.094 -9.576 -1.831 1.00 23.14 H new ATOM 0 HG3 MET A 141 0.963 -8.486 -3.197 1.00 23.14 H new ATOM 0 HE1 MET A 141 -0.840 -10.479 -5.910 1.00 43.22 H new ATOM 0 HE2 MET A 141 0.326 -9.191 -5.524 1.00 43.22 H new ATOM 0 HE3 MET A 141 0.892 -10.862 -5.762 1.00 43.22 H new ATOM 2066 N SER A 142 5.624 -9.954 -2.072 1.00 41.01 N ATOM 2067 CA SER A 142 6.940 -10.492 -2.068 1.00 2.34 C ATOM 2068 C SER A 142 7.996 -9.460 -2.434 1.00 32.51 C ATOM 2069 O SER A 142 8.483 -9.367 -3.571 1.00 14.01 O ATOM 2070 CB SER A 142 7.004 -11.770 -2.869 1.00 12.43 C ATOM 2071 OG SER A 142 6.017 -12.677 -2.358 1.00 21.54 O ATOM 0 H SER A 142 5.192 -9.965 -1.148 1.00 41.01 H new ATOM 0 HA SER A 142 7.190 -10.770 -1.044 1.00 2.34 H new ATOM 0 HB2 SER A 142 6.821 -11.566 -3.924 1.00 12.43 H new ATOM 0 HB3 SER A 142 7.998 -12.212 -2.798 1.00 12.43 H new ATOM 0 HG SER A 142 6.045 -13.513 -2.869 1.00 21.54 H new ATOM 2077 N LYS A 143 8.272 -8.655 -1.463 1.00 50.45 N ATOM 2078 CA LYS A 143 9.250 -7.630 -1.514 1.00 24.33 C ATOM 2079 C LYS A 143 10.293 -7.909 -0.462 1.00 2.14 C ATOM 2080 O LYS A 143 10.179 -8.891 0.304 1.00 32.24 O ATOM 2081 CB LYS A 143 8.605 -6.259 -1.261 1.00 50.23 C ATOM 2082 CG LYS A 143 7.755 -5.733 -2.404 1.00 22.24 C ATOM 2083 CD LYS A 143 8.617 -5.397 -3.615 1.00 31.24 C ATOM 2084 CE LYS A 143 7.804 -4.743 -4.711 1.00 60.44 C ATOM 2085 NZ LYS A 143 8.657 -4.255 -5.809 1.00 52.21 N ATOM 0 H LYS A 143 7.792 -8.701 -0.564 1.00 50.45 H new ATOM 0 HA LYS A 143 9.710 -7.613 -2.502 1.00 24.33 H new ATOM 0 HB2 LYS A 143 7.985 -6.324 -0.367 1.00 50.23 H new ATOM 0 HB3 LYS A 143 9.393 -5.536 -1.051 1.00 50.23 H new ATOM 0 HG2 LYS A 143 7.009 -6.478 -2.680 1.00 22.24 H new ATOM 0 HG3 LYS A 143 7.214 -4.844 -2.080 1.00 22.24 H new ATOM 0 HD2 LYS A 143 9.426 -4.731 -3.314 1.00 31.24 H new ATOM 0 HD3 LYS A 143 9.079 -6.307 -3.997 1.00 31.24 H new ATOM 0 HE2 LYS A 143 7.081 -5.458 -5.103 1.00 60.44 H new ATOM 0 HE3 LYS A 143 7.236 -3.911 -4.295 1.00 60.44 H new ATOM 0 HZ1 LYS A 143 8.063 -3.814 -6.540 1.00 52.21 H new ATOM 0 HZ2 LYS A 143 9.330 -3.554 -5.440 1.00 52.21 H new ATOM 0 HZ3 LYS A 143 9.180 -5.053 -6.223 1.00 52.21 H new