USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 844 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 84 THR OG1 : rot -7:sc= 0.117 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 59 SER OG : rot -78:sc= 0.0167 USER MOD Set 2.2: A 60 ASN : amide:sc= 0.28 X(o=0.3,f=-0.17) USER MOD Set 3.1: A 10 ASN : amide:sc= 0.65 K(o=1.4,f=-3.5) USER MOD Set 3.2: A 12 LYS NZ :NH3+ -120:sc= 0.771 (180deg=0.379) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.024 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 173:sc=-0.00216 (180deg=-0.0493) USER MOD Single : A 21 MET CE :methyl -159:sc= -0.335 (180deg=-1.02) USER MOD Single : A 24 LYS NZ :NH3+ -149:sc= -0.882 (180deg=-2.32!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 33:sc= 0.22 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -54:sc= -0.507 USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 0.405 (180deg=0.371) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -160:sc= 0.35 USER MOD Single : A 47 LYS NZ :NH3+ -114:sc= 0.55 (180deg=0.0309) USER MOD Single : A 49 SER OG : rot 15:sc= 0.873 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0817 K(o=-0.082,f=-1.1!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -134:sc= 0.882 (180deg=-0.253) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0671 X(o=-0.067,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -133:sc= 0.166 (180deg=-0.567) USER MOD Single : A 74 MET CE :methyl -158:sc= 0 (180deg=-0.529) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -139:sc= 0.555 (180deg=0.313) USER MOD Single : A 90 LYS NZ :NH3+ -179:sc= 0.671 (180deg=0.67) USER MOD Single : A 94 LYS NZ :NH3+ -131:sc= 0.694 (180deg=-0.208) USER MOD Single : A 97 SER OG : rot -86:sc= 0.314 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.280 -2.084 10.131 1.00 24.41 N ATOM 21 CA LEU A 2 -9.594 -2.702 8.992 1.00 21.51 C ATOM 22 C LEU A 2 -8.452 -1.780 8.507 1.00 71.34 C ATOM 23 O LEU A 2 -8.700 -0.709 7.954 1.00 3.24 O ATOM 24 CB LEU A 2 -10.610 -2.984 7.846 1.00 60.32 C ATOM 25 CG LEU A 2 -11.828 -3.894 8.203 1.00 1.05 C ATOM 26 CD1 LEU A 2 -12.810 -4.019 7.013 1.00 22.21 C ATOM 27 CD2 LEU A 2 -11.366 -5.281 8.702 1.00 11.22 C ATOM 0 HA LEU A 2 -9.161 -3.653 9.302 1.00 21.51 H new ATOM 0 HB2 LEU A 2 -10.992 -2.029 7.486 1.00 60.32 H new ATOM 0 HB3 LEU A 2 -10.071 -3.445 7.018 1.00 60.32 H new ATOM 0 HG LEU A 2 -12.367 -3.414 9.020 1.00 1.05 H new ATOM 0 HD11 LEU A 2 -13.645 -4.659 7.296 1.00 22.21 H new ATOM 0 HD12 LEU A 2 -13.184 -3.031 6.745 1.00 22.21 H new ATOM 0 HD13 LEU A 2 -12.293 -4.455 6.158 1.00 22.21 H new ATOM 0 HD21 LEU A 2 -12.237 -5.890 8.942 1.00 11.22 H new ATOM 0 HD22 LEU A 2 -10.783 -5.772 7.923 1.00 11.22 H new ATOM 0 HD23 LEU A 2 -10.751 -5.161 9.594 1.00 11.22 H new ATOM 39 N LEU A 3 -7.207 -2.179 8.792 1.00 71.11 N ATOM 40 CA LEU A 3 -6.008 -1.484 8.307 1.00 53.50 C ATOM 41 C LEU A 3 -5.275 -2.403 7.317 1.00 44.43 C ATOM 42 O LEU A 3 -4.773 -3.471 7.698 1.00 42.24 O ATOM 43 CB LEU A 3 -5.091 -1.092 9.498 1.00 40.33 C ATOM 44 CG LEU A 3 -5.711 -0.130 10.561 1.00 70.12 C ATOM 45 CD1 LEU A 3 -4.730 0.126 11.728 1.00 1.33 C ATOM 46 CD2 LEU A 3 -6.177 1.198 9.918 1.00 62.32 C ATOM 0 H LEU A 3 -7.002 -2.996 9.367 1.00 71.11 H new ATOM 0 HA LEU A 3 -6.290 -0.563 7.797 1.00 53.50 H new ATOM 0 HB2 LEU A 3 -4.778 -2.005 10.004 1.00 40.33 H new ATOM 0 HB3 LEU A 3 -4.191 -0.625 9.098 1.00 40.33 H new ATOM 0 HG LEU A 3 -6.592 -0.622 10.973 1.00 70.12 H new ATOM 0 HD11 LEU A 3 -5.192 0.799 12.450 1.00 1.33 H new ATOM 0 HD12 LEU A 3 -4.489 -0.819 12.215 1.00 1.33 H new ATOM 0 HD13 LEU A 3 -3.816 0.579 11.343 1.00 1.33 H new ATOM 0 HD21 LEU A 3 -6.603 1.844 10.686 1.00 62.32 H new ATOM 0 HD22 LEU A 3 -5.325 1.697 9.456 1.00 62.32 H new ATOM 0 HD23 LEU A 3 -6.931 0.990 9.159 1.00 62.32 H new ATOM 58 N TYR A 4 -5.258 -1.995 6.043 1.00 42.12 N ATOM 59 CA TYR A 4 -4.637 -2.752 4.949 1.00 1.43 C ATOM 60 C TYR A 4 -3.527 -1.924 4.317 1.00 51.32 C ATOM 61 O TYR A 4 -3.600 -0.699 4.255 1.00 33.04 O ATOM 62 CB TYR A 4 -5.695 -3.149 3.889 1.00 20.25 C ATOM 63 CG TYR A 4 -6.634 -4.266 4.364 1.00 25.44 C ATOM 64 CD1 TYR A 4 -6.268 -5.608 4.238 1.00 5.24 C ATOM 65 CD2 TYR A 4 -7.862 -3.987 4.976 1.00 43.05 C ATOM 66 CE1 TYR A 4 -7.096 -6.623 4.685 1.00 25.44 C ATOM 67 CE2 TYR A 4 -8.688 -5.001 5.418 1.00 75.00 C ATOM 68 CZ TYR A 4 -8.298 -6.312 5.281 1.00 3.40 C ATOM 69 OH TYR A 4 -9.128 -7.323 5.726 1.00 73.42 O ATOM 0 H TYR A 4 -5.681 -1.118 5.738 1.00 42.12 H new ATOM 0 HA TYR A 4 -4.207 -3.669 5.353 1.00 1.43 H new ATOM 0 HB2 TYR A 4 -6.287 -2.271 3.629 1.00 20.25 H new ATOM 0 HB3 TYR A 4 -5.187 -3.472 2.980 1.00 20.25 H new ATOM 0 HD1 TYR A 4 -5.321 -5.858 3.783 1.00 5.24 H new ATOM 0 HD2 TYR A 4 -8.169 -2.959 5.105 1.00 43.05 H new ATOM 0 HE1 TYR A 4 -6.801 -7.655 4.567 1.00 25.44 H new ATOM 0 HE2 TYR A 4 -9.640 -4.765 5.871 1.00 75.00 H new ATOM 0 HH TYR A 4 -9.935 -6.933 6.122 1.00 73.42 H new ATOM 79 N VAL A 5 -2.489 -2.626 3.869 1.00 22.21 N ATOM 80 CA VAL A 5 -1.331 -2.045 3.194 1.00 2.34 C ATOM 81 C VAL A 5 -1.169 -2.725 1.823 1.00 41.10 C ATOM 82 O VAL A 5 -1.252 -3.946 1.720 1.00 61.51 O ATOM 83 CB VAL A 5 -0.020 -2.224 4.065 1.00 65.53 C ATOM 84 CG1 VAL A 5 1.219 -1.638 3.356 1.00 34.33 C ATOM 85 CG2 VAL A 5 -0.194 -1.594 5.468 1.00 71.14 C ATOM 0 H VAL A 5 -2.428 -3.639 3.968 1.00 22.21 H new ATOM 0 HA VAL A 5 -1.488 -0.975 3.058 1.00 2.34 H new ATOM 0 HB VAL A 5 0.143 -3.295 4.187 1.00 65.53 H new ATOM 0 HG11 VAL A 5 2.099 -1.780 3.984 1.00 34.33 H new ATOM 0 HG12 VAL A 5 1.368 -2.147 2.403 1.00 34.33 H new ATOM 0 HG13 VAL A 5 1.067 -0.573 3.179 1.00 34.33 H new ATOM 0 HG21 VAL A 5 0.721 -1.731 6.045 1.00 71.14 H new ATOM 0 HG22 VAL A 5 -0.402 -0.529 5.365 1.00 71.14 H new ATOM 0 HG23 VAL A 5 -1.024 -2.077 5.984 1.00 71.14 H new ATOM 95 N LEU A 6 -1.007 -1.921 0.772 1.00 2.12 N ATOM 96 CA LEU A 6 -0.646 -2.396 -0.568 1.00 54.54 C ATOM 97 C LEU A 6 0.764 -1.888 -0.875 1.00 4.25 C ATOM 98 O LEU A 6 1.147 -0.820 -0.393 1.00 64.11 O ATOM 99 CB LEU A 6 -1.664 -1.876 -1.625 1.00 22.33 C ATOM 100 CG LEU A 6 -3.163 -2.253 -1.387 1.00 1.43 C ATOM 101 CD1 LEU A 6 -4.061 -1.752 -2.541 1.00 44.13 C ATOM 102 CD2 LEU A 6 -3.339 -3.768 -1.157 1.00 23.05 C ATOM 0 H LEU A 6 -1.124 -0.909 0.826 1.00 2.12 H new ATOM 0 HA LEU A 6 -0.670 -3.485 -0.605 1.00 54.54 H new ATOM 0 HB2 LEU A 6 -1.587 -0.790 -1.669 1.00 22.33 H new ATOM 0 HB3 LEU A 6 -1.367 -2.256 -2.602 1.00 22.33 H new ATOM 0 HG LEU A 6 -3.483 -1.746 -0.476 1.00 1.43 H new ATOM 0 HD11 LEU A 6 -5.096 -2.031 -2.344 1.00 44.13 H new ATOM 0 HD12 LEU A 6 -3.985 -0.667 -2.616 1.00 44.13 H new ATOM 0 HD13 LEU A 6 -3.736 -2.204 -3.478 1.00 44.13 H new ATOM 0 HD21 LEU A 6 -4.394 -3.991 -0.995 1.00 23.05 H new ATOM 0 HD22 LEU A 6 -2.983 -4.313 -2.031 1.00 23.05 H new ATOM 0 HD23 LEU A 6 -2.765 -4.072 -0.282 1.00 23.05 H new ATOM 114 N ILE A 7 1.545 -2.657 -1.638 1.00 22.41 N ATOM 115 CA ILE A 7 2.875 -2.218 -2.091 1.00 22.40 C ATOM 116 C ILE A 7 3.022 -2.445 -3.608 1.00 32.50 C ATOM 117 O ILE A 7 2.866 -3.568 -4.092 1.00 61.52 O ATOM 118 CB ILE A 7 4.048 -2.930 -1.301 1.00 2.24 C ATOM 119 CG1 ILE A 7 5.432 -2.383 -1.782 1.00 23.45 C ATOM 120 CG2 ILE A 7 3.983 -4.479 -1.400 1.00 54.41 C ATOM 121 CD1 ILE A 7 6.632 -2.946 -1.049 1.00 3.34 C ATOM 0 H ILE A 7 1.282 -3.589 -1.958 1.00 22.41 H new ATOM 0 HA ILE A 7 2.955 -1.152 -1.879 1.00 22.40 H new ATOM 0 HB ILE A 7 3.924 -2.690 -0.245 1.00 2.24 H new ATOM 0 HG12 ILE A 7 5.541 -2.597 -2.845 1.00 23.45 H new ATOM 0 HG13 ILE A 7 5.435 -1.298 -1.674 1.00 23.45 H new ATOM 0 HG21 ILE A 7 4.811 -4.914 -0.840 1.00 54.41 H new ATOM 0 HG22 ILE A 7 3.039 -4.831 -0.984 1.00 54.41 H new ATOM 0 HG23 ILE A 7 4.054 -4.780 -2.445 1.00 54.41 H new ATOM 0 HD11 ILE A 7 7.544 -2.507 -1.453 1.00 3.34 H new ATOM 0 HD12 ILE A 7 6.554 -2.709 0.012 1.00 3.34 H new ATOM 0 HD13 ILE A 7 6.662 -4.028 -1.178 1.00 3.34 H new ATOM 133 N ILE A 8 3.293 -1.359 -4.359 1.00 13.41 N ATOM 134 CA ILE A 8 3.588 -1.444 -5.793 1.00 52.43 C ATOM 135 C ILE A 8 5.103 -1.236 -5.973 1.00 22.04 C ATOM 136 O ILE A 8 5.590 -0.102 -5.923 1.00 44.40 O ATOM 137 CB ILE A 8 2.784 -0.373 -6.644 1.00 5.31 C ATOM 138 CG1 ILE A 8 1.360 -0.139 -6.055 1.00 2.25 C ATOM 139 CG2 ILE A 8 2.688 -0.821 -8.128 1.00 12.20 C ATOM 140 CD1 ILE A 8 0.554 0.928 -6.763 1.00 1.24 C ATOM 0 H ILE A 8 3.312 -0.409 -3.988 1.00 13.41 H new ATOM 0 HA ILE A 8 3.277 -2.422 -6.159 1.00 52.43 H new ATOM 0 HB ILE A 8 3.328 0.570 -6.596 1.00 5.31 H new ATOM 0 HG12 ILE A 8 0.807 -1.078 -6.091 1.00 2.25 H new ATOM 0 HG13 ILE A 8 1.456 0.134 -5.004 1.00 2.25 H new ATOM 0 HG21 ILE A 8 2.134 -0.075 -8.698 1.00 12.20 H new ATOM 0 HG22 ILE A 8 3.691 -0.923 -8.543 1.00 12.20 H new ATOM 0 HG23 ILE A 8 2.172 -1.779 -8.186 1.00 12.20 H new ATOM 0 HD11 ILE A 8 -0.422 1.023 -6.287 1.00 1.24 H new ATOM 0 HD12 ILE A 8 1.081 1.881 -6.705 1.00 1.24 H new ATOM 0 HD13 ILE A 8 0.422 0.650 -7.809 1.00 1.24 H new ATOM 152 N SER A 9 5.825 -2.342 -6.162 1.00 13.21 N ATOM 153 CA SER A 9 7.284 -2.352 -6.331 1.00 54.33 C ATOM 154 C SER A 9 7.703 -3.668 -6.996 1.00 1.22 C ATOM 155 O SER A 9 7.009 -4.682 -6.857 1.00 65.42 O ATOM 156 CB SER A 9 7.987 -2.185 -4.953 1.00 32.30 C ATOM 157 OG SER A 9 9.402 -2.178 -5.077 1.00 42.25 O ATOM 0 H SER A 9 5.408 -3.272 -6.203 1.00 13.21 H new ATOM 0 HA SER A 9 7.584 -1.518 -6.966 1.00 54.33 H new ATOM 0 HB2 SER A 9 7.659 -1.255 -4.488 1.00 32.30 H new ATOM 0 HB3 SER A 9 7.685 -2.996 -4.291 1.00 32.30 H new ATOM 0 HG SER A 9 9.807 -2.070 -4.191 1.00 42.25 H new ATOM 163 N ASN A 10 8.816 -3.636 -7.743 1.00 3.33 N ATOM 164 CA ASN A 10 9.442 -4.851 -8.300 1.00 50.11 C ATOM 165 C ASN A 10 10.579 -5.322 -7.369 1.00 54.30 C ATOM 166 O ASN A 10 10.953 -6.499 -7.392 1.00 13.44 O ATOM 167 CB ASN A 10 9.987 -4.586 -9.732 1.00 44.20 C ATOM 168 CG ASN A 10 10.529 -5.849 -10.435 1.00 61.11 C ATOM 169 OD1 ASN A 10 9.989 -6.947 -10.278 1.00 52.13 O ATOM 170 ND2 ASN A 10 11.619 -5.711 -11.176 1.00 33.11 N ATOM 0 H ASN A 10 9.308 -2.774 -7.979 1.00 3.33 H new ATOM 0 HA ASN A 10 8.687 -5.634 -8.368 1.00 50.11 H new ATOM 0 HB2 ASN A 10 9.191 -4.156 -10.340 1.00 44.20 H new ATOM 0 HB3 ASN A 10 10.782 -3.843 -9.676 1.00 44.20 H new ATOM 0 HD21 ASN A 10 12.031 -6.524 -11.633 1.00 33.11 H new ATOM 0 HD22 ASN A 10 12.046 -4.791 -11.289 1.00 33.11 H new ATOM 177 N ASP A 11 11.100 -4.385 -6.541 1.00 61.31 N ATOM 178 CA ASP A 11 12.237 -4.627 -5.627 1.00 24.51 C ATOM 179 C ASP A 11 11.850 -5.676 -4.571 1.00 12.13 C ATOM 180 O ASP A 11 11.184 -5.346 -3.595 1.00 4.01 O ATOM 181 CB ASP A 11 12.654 -3.312 -4.920 1.00 52.24 C ATOM 182 CG ASP A 11 12.990 -2.180 -5.890 1.00 25.43 C ATOM 183 OD1 ASP A 11 14.148 -2.095 -6.341 1.00 60.42 O ATOM 184 OD2 ASP A 11 12.091 -1.374 -6.217 1.00 24.13 O ATOM 0 H ASP A 11 10.738 -3.433 -6.490 1.00 61.31 H new ATOM 0 HA ASP A 11 13.078 -4.996 -6.214 1.00 24.51 H new ATOM 0 HB2 ASP A 11 11.846 -2.990 -4.263 1.00 52.24 H new ATOM 0 HB3 ASP A 11 13.520 -3.507 -4.288 1.00 52.24 H new ATOM 189 N LYS A 12 12.294 -6.924 -4.794 1.00 12.22 N ATOM 190 CA LYS A 12 11.881 -8.119 -4.011 1.00 45.04 C ATOM 191 C LYS A 12 12.234 -7.977 -2.521 1.00 21.33 C ATOM 192 O LYS A 12 11.488 -8.427 -1.651 1.00 61.11 O ATOM 193 CB LYS A 12 12.526 -9.436 -4.567 1.00 61.21 C ATOM 194 CG LYS A 12 12.147 -9.809 -6.027 1.00 51.31 C ATOM 195 CD LYS A 12 12.947 -9.033 -7.096 1.00 45.21 C ATOM 196 CE LYS A 12 12.539 -9.405 -8.528 1.00 31.33 C ATOM 197 NZ LYS A 12 11.122 -9.065 -8.813 1.00 1.24 N ATOM 0 H LYS A 12 12.961 -7.143 -5.534 1.00 12.22 H new ATOM 0 HA LYS A 12 10.798 -8.185 -4.115 1.00 45.04 H new ATOM 0 HB2 LYS A 12 13.610 -9.341 -4.506 1.00 61.21 H new ATOM 0 HB3 LYS A 12 12.241 -10.262 -3.915 1.00 61.21 H new ATOM 0 HG2 LYS A 12 12.306 -10.878 -6.172 1.00 51.31 H new ATOM 0 HG3 LYS A 12 11.083 -9.622 -6.176 1.00 51.31 H new ATOM 0 HD2 LYS A 12 12.801 -7.963 -6.947 1.00 45.21 H new ATOM 0 HD3 LYS A 12 14.011 -9.231 -6.963 1.00 45.21 H new ATOM 0 HE2 LYS A 12 13.185 -8.885 -9.235 1.00 31.33 H new ATOM 0 HE3 LYS A 12 12.693 -10.473 -8.682 1.00 31.33 H new ATOM 0 HZ1 LYS A 12 10.602 -9.929 -9.067 1.00 1.24 H new ATOM 0 HZ2 LYS A 12 10.691 -8.637 -7.969 1.00 1.24 H new ATOM 0 HZ3 LYS A 12 11.079 -8.390 -9.603 1.00 1.24 H new ATOM 211 N LYS A 13 13.381 -7.339 -2.263 1.00 72.13 N ATOM 212 CA LYS A 13 13.896 -7.115 -0.904 1.00 11.44 C ATOM 213 C LYS A 13 13.084 -6.017 -0.203 1.00 11.42 C ATOM 214 O LYS A 13 12.802 -6.134 0.978 1.00 54.52 O ATOM 215 CB LYS A 13 15.426 -6.777 -0.932 1.00 43.33 C ATOM 216 CG LYS A 13 16.363 -8.015 -0.990 1.00 55.15 C ATOM 217 CD LYS A 13 16.072 -8.960 -2.181 1.00 24.03 C ATOM 218 CE LYS A 13 16.956 -10.225 -2.177 1.00 65.02 C ATOM 219 NZ LYS A 13 16.498 -11.225 -3.183 1.00 43.33 N ATOM 0 H LYS A 13 13.983 -6.961 -2.994 1.00 72.13 H new ATOM 0 HA LYS A 13 13.781 -8.035 -0.331 1.00 11.44 H new ATOM 0 HB2 LYS A 13 15.629 -6.144 -1.796 1.00 43.33 H new ATOM 0 HB3 LYS A 13 15.672 -6.194 -0.045 1.00 43.33 H new ATOM 0 HG2 LYS A 13 17.397 -7.675 -1.052 1.00 55.15 H new ATOM 0 HG3 LYS A 13 16.267 -8.576 -0.060 1.00 55.15 H new ATOM 0 HD2 LYS A 13 15.023 -9.256 -2.155 1.00 24.03 H new ATOM 0 HD3 LYS A 13 16.227 -8.418 -3.114 1.00 24.03 H new ATOM 0 HE2 LYS A 13 17.989 -9.947 -2.386 1.00 65.02 H new ATOM 0 HE3 LYS A 13 16.941 -10.675 -1.184 1.00 65.02 H new ATOM 0 HZ1 LYS A 13 17.117 -12.060 -3.149 1.00 43.33 H new ATOM 0 HZ2 LYS A 13 15.521 -11.510 -2.969 1.00 43.33 H new ATOM 0 HZ3 LYS A 13 16.536 -10.804 -4.133 1.00 43.33 H new ATOM 233 N LEU A 14 12.681 -4.971 -0.953 1.00 43.11 N ATOM 234 CA LEU A 14 11.843 -3.872 -0.418 1.00 52.12 C ATOM 235 C LEU A 14 10.405 -4.391 -0.129 1.00 25.44 C ATOM 236 O LEU A 14 9.772 -3.972 0.847 1.00 42.13 O ATOM 237 CB LEU A 14 11.867 -2.666 -1.414 1.00 72.04 C ATOM 238 CG LEU A 14 11.338 -1.267 -0.902 1.00 24.20 C ATOM 239 CD1 LEU A 14 12.010 -0.096 -1.664 1.00 25.14 C ATOM 240 CD2 LEU A 14 9.799 -1.148 -1.005 1.00 14.23 C ATOM 0 H LEU A 14 12.923 -4.862 -1.938 1.00 43.11 H new ATOM 0 HA LEU A 14 12.244 -3.516 0.531 1.00 52.12 H new ATOM 0 HB2 LEU A 14 12.895 -2.531 -1.750 1.00 72.04 H new ATOM 0 HB3 LEU A 14 11.280 -2.945 -2.289 1.00 72.04 H new ATOM 0 HG LEU A 14 11.609 -1.204 0.152 1.00 24.20 H new ATOM 0 HD11 LEU A 14 11.624 0.852 -1.288 1.00 25.14 H new ATOM 0 HD12 LEU A 14 13.089 -0.135 -1.512 1.00 25.14 H new ATOM 0 HD13 LEU A 14 11.790 -0.181 -2.728 1.00 25.14 H new ATOM 0 HD21 LEU A 14 9.485 -0.170 -0.641 1.00 14.23 H new ATOM 0 HD22 LEU A 14 9.494 -1.264 -2.045 1.00 14.23 H new ATOM 0 HD23 LEU A 14 9.333 -1.926 -0.401 1.00 14.23 H new ATOM 252 N ILE A 15 9.928 -5.331 -0.982 1.00 31.11 N ATOM 253 CA ILE A 15 8.631 -6.027 -0.816 1.00 60.01 C ATOM 254 C ILE A 15 8.645 -6.871 0.476 1.00 23.12 C ATOM 255 O ILE A 15 7.694 -6.834 1.267 1.00 73.14 O ATOM 256 CB ILE A 15 8.315 -6.941 -2.069 1.00 3.34 C ATOM 257 CG1 ILE A 15 8.145 -6.086 -3.372 1.00 20.03 C ATOM 258 CG2 ILE A 15 7.066 -7.821 -1.830 1.00 50.11 C ATOM 259 CD1 ILE A 15 8.124 -6.899 -4.663 1.00 52.24 C ATOM 0 H ILE A 15 10.440 -5.629 -1.813 1.00 31.11 H new ATOM 0 HA ILE A 15 7.845 -5.276 -0.740 1.00 60.01 H new ATOM 0 HB ILE A 15 9.171 -7.602 -2.206 1.00 3.34 H new ATOM 0 HG12 ILE A 15 7.218 -5.518 -3.300 1.00 20.03 H new ATOM 0 HG13 ILE A 15 8.959 -5.363 -3.426 1.00 20.03 H new ATOM 0 HG21 ILE A 15 6.879 -8.435 -2.711 1.00 50.11 H new ATOM 0 HG22 ILE A 15 7.235 -8.466 -0.968 1.00 50.11 H new ATOM 0 HG23 ILE A 15 6.202 -7.183 -1.643 1.00 50.11 H new ATOM 0 HD11 ILE A 15 8.003 -6.228 -5.514 1.00 52.24 H new ATOM 0 HD12 ILE A 15 9.061 -7.447 -4.763 1.00 52.24 H new ATOM 0 HD13 ILE A 15 7.293 -7.604 -4.636 1.00 52.24 H new ATOM 271 N GLU A 16 9.752 -7.617 0.669 1.00 41.43 N ATOM 272 CA GLU A 16 9.978 -8.432 1.876 1.00 52.14 C ATOM 273 C GLU A 16 10.025 -7.556 3.138 1.00 45.22 C ATOM 274 O GLU A 16 9.292 -7.814 4.081 1.00 13.21 O ATOM 275 CB GLU A 16 11.274 -9.276 1.731 1.00 33.44 C ATOM 276 CG GLU A 16 11.123 -10.516 0.832 1.00 42.31 C ATOM 277 CD GLU A 16 10.149 -11.560 1.414 1.00 14.41 C ATOM 278 OE1 GLU A 16 10.577 -12.387 2.251 1.00 45.14 O ATOM 279 OE2 GLU A 16 8.955 -11.567 1.049 1.00 13.50 O ATOM 0 H GLU A 16 10.513 -7.670 -0.008 1.00 41.43 H new ATOM 0 HA GLU A 16 9.137 -9.117 1.984 1.00 52.14 H new ATOM 0 HB2 GLU A 16 12.063 -8.642 1.327 1.00 33.44 H new ATOM 0 HB3 GLU A 16 11.598 -9.596 2.721 1.00 33.44 H new ATOM 0 HG2 GLU A 16 10.771 -10.205 -0.152 1.00 42.31 H new ATOM 0 HG3 GLU A 16 12.100 -10.977 0.689 1.00 42.31 H new ATOM 286 N GLU A 17 10.848 -6.491 3.105 1.00 10.14 N ATOM 287 CA GLU A 17 11.043 -5.564 4.244 1.00 62.45 C ATOM 288 C GLU A 17 9.713 -4.938 4.710 1.00 55.24 C ATOM 289 O GLU A 17 9.454 -4.825 5.920 1.00 4.14 O ATOM 290 CB GLU A 17 12.054 -4.446 3.863 1.00 11.22 C ATOM 291 CG GLU A 17 13.528 -4.901 3.770 1.00 0.03 C ATOM 292 CD GLU A 17 14.058 -5.556 5.059 1.00 74.13 C ATOM 293 OE1 GLU A 17 14.317 -4.833 6.049 1.00 22.23 O ATOM 294 OE2 GLU A 17 14.232 -6.797 5.089 1.00 21.34 O ATOM 0 H GLU A 17 11.401 -6.245 2.284 1.00 10.14 H new ATOM 0 HA GLU A 17 11.444 -6.146 5.074 1.00 62.45 H new ATOM 0 HB2 GLU A 17 11.759 -4.022 2.903 1.00 11.22 H new ATOM 0 HB3 GLU A 17 11.982 -3.646 4.600 1.00 11.22 H new ATOM 0 HG2 GLU A 17 13.629 -5.608 2.946 1.00 0.03 H new ATOM 0 HG3 GLU A 17 14.150 -4.039 3.529 1.00 0.03 H new ATOM 301 N ALA A 18 8.883 -4.550 3.730 1.00 40.33 N ATOM 302 CA ALA A 18 7.554 -3.986 3.983 1.00 65.15 C ATOM 303 C ALA A 18 6.603 -5.046 4.585 1.00 2.00 C ATOM 304 O ALA A 18 5.910 -4.777 5.572 1.00 62.14 O ATOM 305 CB ALA A 18 6.977 -3.407 2.682 1.00 10.00 C ATOM 0 H ALA A 18 9.117 -4.620 2.740 1.00 40.33 H new ATOM 0 HA ALA A 18 7.651 -3.182 4.713 1.00 65.15 H new ATOM 0 HB1 ALA A 18 5.989 -2.989 2.876 1.00 10.00 H new ATOM 0 HB2 ALA A 18 7.636 -2.623 2.309 1.00 10.00 H new ATOM 0 HB3 ALA A 18 6.896 -4.198 1.936 1.00 10.00 H new ATOM 311 N ARG A 19 6.613 -6.263 3.988 1.00 12.14 N ATOM 312 CA ARG A 19 5.717 -7.373 4.386 1.00 4.31 C ATOM 313 C ARG A 19 6.002 -7.825 5.827 1.00 74.24 C ATOM 314 O ARG A 19 5.071 -8.026 6.602 1.00 64.42 O ATOM 315 CB ARG A 19 5.838 -8.578 3.407 1.00 55.50 C ATOM 316 CG ARG A 19 4.837 -9.723 3.696 1.00 5.31 C ATOM 317 CD ARG A 19 4.976 -10.915 2.731 1.00 74.23 C ATOM 318 NE ARG A 19 6.317 -11.540 2.776 1.00 0.42 N ATOM 319 CZ ARG A 19 6.728 -12.444 3.686 1.00 52.51 C ATOM 320 NH1 ARG A 19 5.934 -12.858 4.665 1.00 35.23 N ATOM 321 NH2 ARG A 19 7.953 -12.938 3.599 1.00 74.05 N ATOM 0 H ARG A 19 7.241 -6.501 3.220 1.00 12.14 H new ATOM 0 HA ARG A 19 4.695 -6.998 4.339 1.00 4.31 H new ATOM 0 HB2 ARG A 19 5.684 -8.223 2.388 1.00 55.50 H new ATOM 0 HB3 ARG A 19 6.852 -8.974 3.457 1.00 55.50 H new ATOM 0 HG2 ARG A 19 4.982 -10.073 4.718 1.00 5.31 H new ATOM 0 HG3 ARG A 19 3.821 -9.332 3.635 1.00 5.31 H new ATOM 0 HD2 ARG A 19 4.223 -11.664 2.976 1.00 74.23 H new ATOM 0 HD3 ARG A 19 4.771 -10.579 1.715 1.00 74.23 H new ATOM 0 HE ARG A 19 6.986 -11.263 2.058 1.00 0.42 H new ATOM 0 HH11 ARG A 19 4.986 -12.491 4.742 1.00 35.23 H new ATOM 0 HH12 ARG A 19 6.272 -13.544 5.340 1.00 35.23 H new ATOM 0 HH21 ARG A 19 8.574 -12.633 2.849 1.00 74.05 H new ATOM 0 HH22 ARG A 19 8.276 -13.623 4.282 1.00 74.05 H new ATOM 335 N LYS A 20 7.302 -7.913 6.179 1.00 12.12 N ATOM 336 CA LYS A 20 7.755 -8.325 7.526 1.00 0.52 C ATOM 337 C LYS A 20 7.204 -7.364 8.580 1.00 32.45 C ATOM 338 O LYS A 20 6.610 -7.791 9.563 1.00 52.32 O ATOM 339 CB LYS A 20 9.308 -8.359 7.618 1.00 42.22 C ATOM 340 CG LYS A 20 9.991 -9.372 6.678 1.00 23.13 C ATOM 341 CD LYS A 20 9.498 -10.829 6.865 1.00 63.23 C ATOM 342 CE LYS A 20 10.163 -11.795 5.867 1.00 41.43 C ATOM 343 NZ LYS A 20 11.638 -11.863 6.039 1.00 53.20 N ATOM 0 H LYS A 20 8.067 -7.701 5.539 1.00 12.12 H new ATOM 0 HA LYS A 20 7.378 -9.331 7.710 1.00 0.52 H new ATOM 0 HB2 LYS A 20 9.693 -7.363 7.397 1.00 42.22 H new ATOM 0 HB3 LYS A 20 9.592 -8.589 8.645 1.00 42.22 H new ATOM 0 HG2 LYS A 20 9.818 -9.069 5.645 1.00 23.13 H new ATOM 0 HG3 LYS A 20 11.068 -9.339 6.844 1.00 23.13 H new ATOM 0 HD2 LYS A 20 9.711 -11.156 7.883 1.00 63.23 H new ATOM 0 HD3 LYS A 20 8.416 -10.865 6.738 1.00 63.23 H new ATOM 0 HE2 LYS A 20 9.739 -12.791 5.993 1.00 41.43 H new ATOM 0 HE3 LYS A 20 9.933 -11.477 4.850 1.00 41.43 H new ATOM 0 HZ1 LYS A 20 12.025 -12.611 5.428 1.00 53.20 H new ATOM 0 HZ2 LYS A 20 12.060 -10.949 5.778 1.00 53.20 H new ATOM 0 HZ3 LYS A 20 11.862 -12.077 7.032 1.00 53.20 H new ATOM 357 N MET A 21 7.376 -6.060 8.307 1.00 50.31 N ATOM 358 CA MET A 21 6.942 -4.974 9.200 1.00 51.33 C ATOM 359 C MET A 21 5.427 -4.907 9.327 1.00 52.12 C ATOM 360 O MET A 21 4.918 -4.487 10.364 1.00 52.41 O ATOM 361 CB MET A 21 7.513 -3.619 8.711 1.00 2.03 C ATOM 362 CG MET A 21 8.990 -3.428 9.063 1.00 33.51 C ATOM 363 SD MET A 21 9.285 -3.328 10.842 1.00 44.15 S ATOM 364 CE MET A 21 8.236 -1.944 11.293 1.00 31.45 C ATOM 0 H MET A 21 7.824 -5.728 7.453 1.00 50.31 H new ATOM 0 HA MET A 21 7.335 -5.188 10.194 1.00 51.33 H new ATOM 0 HB2 MET A 21 7.391 -3.549 7.630 1.00 2.03 H new ATOM 0 HB3 MET A 21 6.933 -2.807 9.150 1.00 2.03 H new ATOM 0 HG2 MET A 21 9.566 -4.257 8.651 1.00 33.51 H new ATOM 0 HG3 MET A 21 9.356 -2.518 8.588 1.00 33.51 H new ATOM 0 HE1 MET A 21 8.574 -1.524 12.240 1.00 31.45 H new ATOM 0 HE2 MET A 21 8.289 -1.179 10.518 1.00 31.45 H new ATOM 0 HE3 MET A 21 7.206 -2.286 11.395 1.00 31.45 H new ATOM 374 N ALA A 22 4.718 -5.288 8.256 1.00 5.40 N ATOM 375 CA ALA A 22 3.258 -5.372 8.272 1.00 62.34 C ATOM 376 C ALA A 22 2.782 -6.511 9.184 1.00 42.01 C ATOM 377 O ALA A 22 1.844 -6.341 9.937 1.00 33.44 O ATOM 378 CB ALA A 22 2.707 -5.536 6.853 1.00 34.11 C ATOM 0 H ALA A 22 5.139 -5.544 7.363 1.00 5.40 H new ATOM 0 HA ALA A 22 2.871 -4.437 8.678 1.00 62.34 H new ATOM 0 HB1 ALA A 22 1.619 -5.596 6.890 1.00 34.11 H new ATOM 0 HB2 ALA A 22 3.003 -4.680 6.247 1.00 34.11 H new ATOM 0 HB3 ALA A 22 3.106 -6.449 6.411 1.00 34.11 H new ATOM 384 N GLU A 23 3.478 -7.654 9.131 1.00 31.24 N ATOM 385 CA GLU A 23 3.154 -8.842 9.948 1.00 42.35 C ATOM 386 C GLU A 23 3.530 -8.611 11.432 1.00 24.24 C ATOM 387 O GLU A 23 2.885 -9.147 12.339 1.00 33.41 O ATOM 388 CB GLU A 23 3.875 -10.080 9.345 1.00 33.11 C ATOM 389 CG GLU A 23 3.459 -10.362 7.881 1.00 23.12 C ATOM 390 CD GLU A 23 4.304 -11.431 7.170 1.00 4.12 C ATOM 391 OE1 GLU A 23 5.551 -11.306 7.162 1.00 34.30 O ATOM 392 OE2 GLU A 23 3.728 -12.400 6.606 1.00 63.13 O ATOM 0 H GLU A 23 4.284 -7.786 8.521 1.00 31.24 H new ATOM 0 HA GLU A 23 2.079 -9.024 9.927 1.00 42.35 H new ATOM 0 HB2 GLU A 23 4.953 -9.924 9.388 1.00 33.11 H new ATOM 0 HB3 GLU A 23 3.655 -10.956 9.956 1.00 33.11 H new ATOM 0 HG2 GLU A 23 2.415 -10.675 7.868 1.00 23.12 H new ATOM 0 HG3 GLU A 23 3.521 -9.433 7.314 1.00 23.12 H new ATOM 399 N LYS A 24 4.569 -7.784 11.654 1.00 14.22 N ATOM 400 CA LYS A 24 4.968 -7.307 12.996 1.00 4.35 C ATOM 401 C LYS A 24 3.902 -6.340 13.554 1.00 63.01 C ATOM 402 O LYS A 24 3.516 -6.420 14.725 1.00 24.54 O ATOM 403 CB LYS A 24 6.344 -6.582 12.914 1.00 71.12 C ATOM 404 CG LYS A 24 7.544 -7.472 12.519 1.00 34.21 C ATOM 405 CD LYS A 24 8.855 -6.678 12.247 1.00 33.45 C ATOM 406 CE LYS A 24 9.589 -6.197 13.517 1.00 2.42 C ATOM 407 NZ LYS A 24 8.780 -5.280 14.367 1.00 1.20 N ATOM 0 H LYS A 24 5.160 -7.425 10.904 1.00 14.22 H new ATOM 0 HA LYS A 24 5.054 -8.165 13.663 1.00 4.35 H new ATOM 0 HB2 LYS A 24 6.264 -5.769 12.192 1.00 71.12 H new ATOM 0 HB3 LYS A 24 6.554 -6.128 13.883 1.00 71.12 H new ATOM 0 HG2 LYS A 24 7.726 -8.194 13.315 1.00 34.21 H new ATOM 0 HG3 LYS A 24 7.284 -8.041 11.627 1.00 34.21 H new ATOM 0 HD2 LYS A 24 9.532 -7.307 11.668 1.00 33.45 H new ATOM 0 HD3 LYS A 24 8.618 -5.811 11.630 1.00 33.45 H new ATOM 0 HE2 LYS A 24 9.879 -7.065 14.109 1.00 2.42 H new ATOM 0 HE3 LYS A 24 10.508 -5.690 13.224 1.00 2.42 H new ATOM 0 HZ1 LYS A 24 9.410 -4.612 14.854 1.00 1.20 H new ATOM 0 HZ2 LYS A 24 8.111 -4.753 13.770 1.00 1.20 H new ATOM 0 HZ3 LYS A 24 8.252 -5.834 15.071 1.00 1.20 H new ATOM 421 N ALA A 25 3.430 -5.444 12.675 1.00 40.34 N ATOM 422 CA ALA A 25 2.413 -4.423 12.997 1.00 45.43 C ATOM 423 C ALA A 25 0.981 -4.995 12.896 1.00 3.34 C ATOM 424 O ALA A 25 0.013 -4.267 13.135 1.00 1.11 O ATOM 425 CB ALA A 25 2.590 -3.222 12.052 1.00 73.03 C ATOM 0 H ALA A 25 3.746 -5.405 11.706 1.00 40.34 H new ATOM 0 HA ALA A 25 2.554 -4.100 14.028 1.00 45.43 H new ATOM 0 HB1 ALA A 25 1.842 -2.463 12.284 1.00 73.03 H new ATOM 0 HB2 ALA A 25 3.587 -2.801 12.182 1.00 73.03 H new ATOM 0 HB3 ALA A 25 2.467 -3.550 11.020 1.00 73.03 H new ATOM 431 N ASN A 26 0.871 -6.288 12.494 1.00 12.43 N ATOM 432 CA ASN A 26 -0.411 -7.046 12.400 1.00 50.53 C ATOM 433 C ASN A 26 -1.357 -6.489 11.306 1.00 3.13 C ATOM 434 O ASN A 26 -2.560 -6.765 11.312 1.00 31.31 O ATOM 435 CB ASN A 26 -1.115 -7.138 13.789 1.00 11.51 C ATOM 436 CG ASN A 26 -0.397 -8.071 14.772 1.00 3.23 C ATOM 437 OD1 ASN A 26 -0.719 -9.254 14.873 1.00 73.33 O ATOM 438 ND2 ASN A 26 0.601 -7.560 15.475 1.00 34.44 N ATOM 0 H ASN A 26 1.681 -6.844 12.221 1.00 12.43 H new ATOM 0 HA ASN A 26 -0.157 -8.060 12.090 1.00 50.53 H new ATOM 0 HB2 ASN A 26 -1.176 -6.141 14.224 1.00 11.51 H new ATOM 0 HB3 ASN A 26 -2.138 -7.488 13.648 1.00 11.51 H new ATOM 0 HD21 ASN A 26 1.125 -8.151 16.121 1.00 34.44 H new ATOM 0 HD22 ASN A 26 0.846 -6.575 15.371 1.00 34.44 H new ATOM 445 N LEU A 27 -0.787 -5.724 10.362 1.00 43.11 N ATOM 446 CA LEU A 27 -1.493 -5.219 9.166 1.00 23.04 C ATOM 447 C LEU A 27 -1.359 -6.244 8.023 1.00 63.21 C ATOM 448 O LEU A 27 -0.307 -6.881 7.888 1.00 3.03 O ATOM 449 CB LEU A 27 -0.881 -3.853 8.722 1.00 11.14 C ATOM 450 CG LEU A 27 -0.666 -2.793 9.851 1.00 54.45 C ATOM 451 CD1 LEU A 27 -0.076 -1.482 9.290 1.00 5.32 C ATOM 452 CD2 LEU A 27 -1.962 -2.533 10.645 1.00 62.55 C ATOM 0 H LEU A 27 0.190 -5.433 10.405 1.00 43.11 H new ATOM 0 HA LEU A 27 -2.547 -5.074 9.405 1.00 23.04 H new ATOM 0 HB2 LEU A 27 0.080 -4.047 8.247 1.00 11.14 H new ATOM 0 HB3 LEU A 27 -1.530 -3.418 7.962 1.00 11.14 H new ATOM 0 HG LEU A 27 0.062 -3.209 10.548 1.00 54.45 H new ATOM 0 HD11 LEU A 27 0.060 -0.768 10.102 1.00 5.32 H new ATOM 0 HD12 LEU A 27 0.887 -1.687 8.822 1.00 5.32 H new ATOM 0 HD13 LEU A 27 -0.758 -1.064 8.550 1.00 5.32 H new ATOM 0 HD21 LEU A 27 -1.771 -1.791 11.420 1.00 62.55 H new ATOM 0 HD22 LEU A 27 -2.734 -2.163 9.970 1.00 62.55 H new ATOM 0 HD23 LEU A 27 -2.298 -3.461 11.107 1.00 62.55 H new ATOM 464 N GLU A 28 -2.409 -6.397 7.204 1.00 0.21 N ATOM 465 CA GLU A 28 -2.381 -7.311 6.043 1.00 63.03 C ATOM 466 C GLU A 28 -1.808 -6.570 4.827 1.00 13.45 C ATOM 467 O GLU A 28 -2.319 -5.516 4.448 1.00 73.21 O ATOM 468 CB GLU A 28 -3.798 -7.881 5.728 1.00 35.22 C ATOM 469 CG GLU A 28 -4.317 -8.943 6.732 1.00 72.21 C ATOM 470 CD GLU A 28 -4.497 -8.423 8.171 1.00 21.23 C ATOM 471 OE1 GLU A 28 -5.463 -7.669 8.418 1.00 24.31 O ATOM 472 OE2 GLU A 28 -3.673 -8.754 9.057 1.00 35.34 O ATOM 0 H GLU A 28 -3.292 -5.900 7.321 1.00 0.21 H new ATOM 0 HA GLU A 28 -1.741 -8.160 6.284 1.00 63.03 H new ATOM 0 HB2 GLU A 28 -4.507 -7.054 5.699 1.00 35.22 H new ATOM 0 HB3 GLU A 28 -3.782 -8.323 4.732 1.00 35.22 H new ATOM 0 HG2 GLU A 28 -5.273 -9.327 6.375 1.00 72.21 H new ATOM 0 HG3 GLU A 28 -3.622 -9.782 6.746 1.00 72.21 H new ATOM 479 N LEU A 29 -0.759 -7.140 4.220 1.00 11.42 N ATOM 480 CA LEU A 29 -0.047 -6.519 3.097 1.00 14.50 C ATOM 481 C LEU A 29 -0.198 -7.399 1.861 1.00 24.52 C ATOM 482 O LEU A 29 0.022 -8.613 1.928 1.00 43.21 O ATOM 483 CB LEU A 29 1.444 -6.284 3.461 1.00 2.51 C ATOM 484 CG LEU A 29 2.337 -5.587 2.358 1.00 65.55 C ATOM 485 CD1 LEU A 29 3.355 -4.613 2.981 1.00 10.04 C ATOM 486 CD2 LEU A 29 3.066 -6.620 1.462 1.00 63.24 C ATOM 0 H LEU A 29 -0.380 -8.046 4.495 1.00 11.42 H new ATOM 0 HA LEU A 29 -0.480 -5.542 2.880 1.00 14.50 H new ATOM 0 HB2 LEU A 29 1.483 -5.677 4.365 1.00 2.51 H new ATOM 0 HB3 LEU A 29 1.892 -7.247 3.704 1.00 2.51 H new ATOM 0 HG LEU A 29 1.656 -5.015 1.728 1.00 65.55 H new ATOM 0 HD11 LEU A 29 3.950 -4.154 2.191 1.00 10.04 H new ATOM 0 HD12 LEU A 29 2.825 -3.837 3.534 1.00 10.04 H new ATOM 0 HD13 LEU A 29 4.011 -5.158 3.660 1.00 10.04 H new ATOM 0 HD21 LEU A 29 3.668 -6.097 0.719 1.00 63.24 H new ATOM 0 HD22 LEU A 29 3.713 -7.244 2.079 1.00 63.24 H new ATOM 0 HD23 LEU A 29 2.331 -7.247 0.958 1.00 63.24 H new ATOM 498 N ARG A 30 -0.572 -6.770 0.737 1.00 52.33 N ATOM 499 CA ARG A 30 -0.780 -7.452 -0.547 1.00 23.10 C ATOM 500 C ARG A 30 0.106 -6.796 -1.612 1.00 71.02 C ATOM 501 O ARG A 30 0.215 -5.563 -1.676 1.00 4.00 O ATOM 502 CB ARG A 30 -2.280 -7.412 -0.950 1.00 4.24 C ATOM 503 CG ARG A 30 -3.216 -8.125 0.055 1.00 21.45 C ATOM 504 CD ARG A 30 -2.859 -9.617 0.255 1.00 53.33 C ATOM 505 NE ARG A 30 -3.617 -10.231 1.363 1.00 11.31 N ATOM 506 CZ ARG A 30 -3.087 -10.722 2.501 1.00 73.01 C ATOM 507 NH1 ARG A 30 -1.773 -10.676 2.730 1.00 2.22 N ATOM 508 NH2 ARG A 30 -3.886 -11.266 3.404 1.00 61.13 N ATOM 0 H ARG A 30 -0.740 -5.765 0.694 1.00 52.33 H new ATOM 0 HA ARG A 30 -0.499 -8.501 -0.456 1.00 23.10 H new ATOM 0 HB2 ARG A 30 -2.592 -6.372 -1.049 1.00 4.24 H new ATOM 0 HB3 ARG A 30 -2.396 -7.874 -1.930 1.00 4.24 H new ATOM 0 HG2 ARG A 30 -3.167 -7.613 1.016 1.00 21.45 H new ATOM 0 HG3 ARG A 30 -4.245 -8.047 -0.296 1.00 21.45 H new ATOM 0 HD2 ARG A 30 -3.060 -10.163 -0.667 1.00 53.33 H new ATOM 0 HD3 ARG A 30 -1.791 -9.709 0.453 1.00 53.33 H new ATOM 0 HE ARG A 30 -4.630 -10.289 1.258 1.00 11.31 H new ATOM 0 HH11 ARG A 30 -1.149 -10.263 2.037 1.00 2.22 H new ATOM 0 HH12 ARG A 30 -1.393 -11.053 3.598 1.00 2.22 H new ATOM 0 HH21 ARG A 30 -4.891 -11.310 3.235 1.00 61.13 H new ATOM 0 HH22 ARG A 30 -3.497 -11.641 4.269 1.00 61.13 H new ATOM 522 N THR A 31 0.730 -7.644 -2.437 1.00 20.44 N ATOM 523 CA THR A 31 1.702 -7.232 -3.448 1.00 74.43 C ATOM 524 C THR A 31 0.992 -6.874 -4.768 1.00 74.32 C ATOM 525 O THR A 31 0.343 -7.719 -5.400 1.00 2.34 O ATOM 526 CB THR A 31 2.759 -8.367 -3.667 1.00 4.32 C ATOM 527 OG1 THR A 31 2.096 -9.596 -4.027 1.00 65.42 O ATOM 528 CG2 THR A 31 3.594 -8.599 -2.393 1.00 64.43 C ATOM 0 H THR A 31 0.569 -8.651 -2.418 1.00 20.44 H new ATOM 0 HA THR A 31 2.221 -6.340 -3.097 1.00 74.43 H new ATOM 0 HB THR A 31 3.424 -8.055 -4.472 1.00 4.32 H new ATOM 0 HG1 THR A 31 1.289 -9.393 -4.544 1.00 65.42 H new ATOM 0 HG21 THR A 31 4.320 -9.392 -2.573 1.00 64.43 H new ATOM 0 HG22 THR A 31 4.118 -7.680 -2.129 1.00 64.43 H new ATOM 0 HG23 THR A 31 2.936 -8.889 -1.574 1.00 64.43 H new ATOM 536 N VAL A 32 1.081 -5.587 -5.118 1.00 4.30 N ATOM 537 CA VAL A 32 0.610 -5.042 -6.396 1.00 33.35 C ATOM 538 C VAL A 32 1.803 -5.006 -7.364 1.00 12.34 C ATOM 539 O VAL A 32 2.802 -4.331 -7.104 1.00 11.41 O ATOM 540 CB VAL A 32 0.031 -3.593 -6.217 1.00 15.33 C ATOM 541 CG1 VAL A 32 -0.586 -3.062 -7.531 1.00 24.24 C ATOM 542 CG2 VAL A 32 -0.974 -3.535 -5.044 1.00 4.45 C ATOM 0 H VAL A 32 1.491 -4.880 -4.508 1.00 4.30 H new ATOM 0 HA VAL A 32 -0.189 -5.672 -6.786 1.00 33.35 H new ATOM 0 HB VAL A 32 0.861 -2.933 -5.967 1.00 15.33 H new ATOM 0 HG11 VAL A 32 -0.977 -2.057 -7.370 1.00 24.24 H new ATOM 0 HG12 VAL A 32 0.179 -3.034 -8.307 1.00 24.24 H new ATOM 0 HG13 VAL A 32 -1.396 -3.720 -7.845 1.00 24.24 H new ATOM 0 HG21 VAL A 32 -1.358 -2.520 -4.944 1.00 4.45 H new ATOM 0 HG22 VAL A 32 -1.801 -4.218 -5.239 1.00 4.45 H new ATOM 0 HG23 VAL A 32 -0.473 -3.826 -4.121 1.00 4.45 H new ATOM 552 N LYS A 33 1.707 -5.763 -8.455 1.00 43.33 N ATOM 553 CA LYS A 33 2.817 -5.940 -9.419 1.00 11.51 C ATOM 554 C LYS A 33 2.533 -5.136 -10.702 1.00 23.33 C ATOM 555 O LYS A 33 3.455 -4.654 -11.373 1.00 21.20 O ATOM 556 CB LYS A 33 2.968 -7.461 -9.695 1.00 72.40 C ATOM 557 CG LYS A 33 3.123 -8.303 -8.397 1.00 3.31 C ATOM 558 CD LYS A 33 2.743 -9.792 -8.574 1.00 23.12 C ATOM 559 CE LYS A 33 2.830 -10.578 -7.252 1.00 51.12 C ATOM 560 NZ LYS A 33 2.391 -11.997 -7.400 1.00 64.12 N ATOM 0 H LYS A 33 0.862 -6.276 -8.705 1.00 43.33 H new ATOM 0 HA LYS A 33 3.756 -5.561 -9.016 1.00 11.51 H new ATOM 0 HB2 LYS A 33 2.096 -7.812 -10.247 1.00 72.40 H new ATOM 0 HB3 LYS A 33 3.837 -7.624 -10.333 1.00 72.40 H new ATOM 0 HG2 LYS A 33 4.156 -8.239 -8.054 1.00 3.31 H new ATOM 0 HG3 LYS A 33 2.500 -7.868 -7.616 1.00 3.31 H new ATOM 0 HD2 LYS A 33 1.730 -9.862 -8.970 1.00 23.12 H new ATOM 0 HD3 LYS A 33 3.405 -10.249 -9.310 1.00 23.12 H new ATOM 0 HE2 LYS A 33 3.857 -10.555 -6.886 1.00 51.12 H new ATOM 0 HE3 LYS A 33 2.213 -10.087 -6.500 1.00 51.12 H new ATOM 0 HZ1 LYS A 33 2.469 -12.482 -6.483 1.00 64.12 H new ATOM 0 HZ2 LYS A 33 1.403 -12.023 -7.723 1.00 64.12 H new ATOM 0 HZ3 LYS A 33 2.996 -12.476 -8.097 1.00 64.12 H new ATOM 574 N THR A 34 1.232 -4.993 -11.014 1.00 24.43 N ATOM 575 CA THR A 34 0.723 -4.172 -12.126 1.00 44.01 C ATOM 576 C THR A 34 -0.403 -3.248 -11.599 1.00 32.41 C ATOM 577 O THR A 34 -1.077 -3.588 -10.623 1.00 13.00 O ATOM 578 CB THR A 34 0.185 -5.067 -13.294 1.00 53.02 C ATOM 579 OG1 THR A 34 -0.774 -5.999 -12.785 1.00 30.40 O ATOM 580 CG2 THR A 34 1.306 -5.845 -14.008 1.00 33.51 C ATOM 0 H THR A 34 0.490 -5.455 -10.488 1.00 24.43 H new ATOM 0 HA THR A 34 1.542 -3.571 -12.521 1.00 44.01 H new ATOM 0 HB THR A 34 -0.273 -4.398 -14.023 1.00 53.02 H new ATOM 0 HG1 THR A 34 -0.377 -6.507 -12.047 1.00 30.40 H new ATOM 0 HG21 THR A 34 0.877 -6.449 -14.808 1.00 33.51 H new ATOM 0 HG22 THR A 34 2.025 -5.142 -14.429 1.00 33.51 H new ATOM 0 HG23 THR A 34 1.810 -6.495 -13.293 1.00 33.51 H new ATOM 588 N GLU A 35 -0.606 -2.103 -12.274 1.00 33.22 N ATOM 589 CA GLU A 35 -1.579 -1.049 -11.868 1.00 23.40 C ATOM 590 C GLU A 35 -3.051 -1.558 -11.877 1.00 33.42 C ATOM 591 O GLU A 35 -3.905 -1.042 -11.140 1.00 25.22 O ATOM 592 CB GLU A 35 -1.435 0.212 -12.790 1.00 74.24 C ATOM 593 CG GLU A 35 -1.907 0.049 -14.262 1.00 41.22 C ATOM 594 CD GLU A 35 -1.112 -0.989 -15.085 1.00 65.34 C ATOM 595 OE1 GLU A 35 -0.045 -0.642 -15.639 1.00 73.51 O ATOM 596 OE2 GLU A 35 -1.538 -2.171 -15.158 1.00 63.11 O ATOM 0 H GLU A 35 -0.098 -1.872 -13.128 1.00 33.22 H new ATOM 0 HA GLU A 35 -1.341 -0.776 -10.840 1.00 23.40 H new ATOM 0 HB2 GLU A 35 -1.997 1.030 -12.340 1.00 74.24 H new ATOM 0 HB3 GLU A 35 -0.387 0.511 -12.798 1.00 74.24 H new ATOM 0 HG2 GLU A 35 -2.959 -0.236 -14.262 1.00 41.22 H new ATOM 0 HG3 GLU A 35 -1.839 1.016 -14.760 1.00 41.22 H new ATOM 603 N ASP A 36 -3.336 -2.551 -12.736 1.00 4.54 N ATOM 604 CA ASP A 36 -4.669 -3.182 -12.843 1.00 30.41 C ATOM 605 C ASP A 36 -4.996 -4.037 -11.590 1.00 14.54 C ATOM 606 O ASP A 36 -6.164 -4.205 -11.215 1.00 52.51 O ATOM 607 CB ASP A 36 -4.741 -4.020 -14.146 1.00 43.51 C ATOM 608 CG ASP A 36 -6.162 -4.525 -14.456 1.00 72.14 C ATOM 609 OD1 ASP A 36 -7.045 -3.683 -14.741 1.00 53.52 O ATOM 610 OD2 ASP A 36 -6.404 -5.754 -14.429 1.00 65.44 O ATOM 0 H ASP A 36 -2.648 -2.942 -13.379 1.00 4.54 H new ATOM 0 HA ASP A 36 -5.427 -2.400 -12.890 1.00 30.41 H new ATOM 0 HB2 ASP A 36 -4.385 -3.416 -14.981 1.00 43.51 H new ATOM 0 HB3 ASP A 36 -4.068 -4.873 -14.061 1.00 43.51 H new ATOM 615 N GLU A 37 -3.940 -4.550 -10.933 1.00 45.00 N ATOM 616 CA GLU A 37 -4.060 -5.288 -9.654 1.00 60.14 C ATOM 617 C GLU A 37 -4.401 -4.345 -8.487 1.00 52.35 C ATOM 618 O GLU A 37 -5.103 -4.740 -7.555 1.00 63.21 O ATOM 619 CB GLU A 37 -2.783 -6.107 -9.352 1.00 12.24 C ATOM 620 CG GLU A 37 -2.541 -7.232 -10.367 1.00 30.33 C ATOM 621 CD GLU A 37 -1.327 -8.078 -10.017 1.00 32.23 C ATOM 622 OE1 GLU A 37 -0.205 -7.578 -10.171 1.00 34.53 O ATOM 623 OE2 GLU A 37 -1.491 -9.239 -9.587 1.00 14.50 O ATOM 0 H GLU A 37 -2.981 -4.467 -11.269 1.00 45.00 H new ATOM 0 HA GLU A 37 -4.887 -5.990 -9.763 1.00 60.14 H new ATOM 0 HB2 GLU A 37 -1.922 -5.439 -9.346 1.00 12.24 H new ATOM 0 HB3 GLU A 37 -2.861 -6.536 -8.353 1.00 12.24 H new ATOM 0 HG2 GLU A 37 -3.423 -7.870 -10.415 1.00 30.33 H new ATOM 0 HG3 GLU A 37 -2.406 -6.800 -11.359 1.00 30.33 H new ATOM 630 N LEU A 38 -3.897 -3.100 -8.560 1.00 43.02 N ATOM 631 CA LEU A 38 -4.208 -2.035 -7.579 1.00 4.15 C ATOM 632 C LEU A 38 -5.748 -1.844 -7.522 1.00 2.45 C ATOM 633 O LEU A 38 -6.347 -1.802 -6.436 1.00 25.23 O ATOM 634 CB LEU A 38 -3.440 -0.729 -7.995 1.00 52.12 C ATOM 635 CG LEU A 38 -3.247 0.401 -6.919 1.00 4.44 C ATOM 636 CD1 LEU A 38 -4.501 1.275 -6.737 1.00 44.42 C ATOM 637 CD2 LEU A 38 -2.778 -0.187 -5.570 1.00 12.15 C ATOM 0 H LEU A 38 -3.262 -2.800 -9.300 1.00 43.02 H new ATOM 0 HA LEU A 38 -3.878 -2.300 -6.575 1.00 4.15 H new ATOM 0 HB2 LEU A 38 -2.452 -1.023 -8.348 1.00 52.12 H new ATOM 0 HB3 LEU A 38 -3.965 -0.292 -8.845 1.00 52.12 H new ATOM 0 HG LEU A 38 -2.464 1.058 -7.299 1.00 4.44 H new ATOM 0 HD11 LEU A 38 -4.307 2.037 -5.982 1.00 44.42 H new ATOM 0 HD12 LEU A 38 -4.749 1.756 -7.683 1.00 44.42 H new ATOM 0 HD13 LEU A 38 -5.336 0.651 -6.417 1.00 44.42 H new ATOM 0 HD21 LEU A 38 -2.653 0.618 -4.846 1.00 12.15 H new ATOM 0 HD22 LEU A 38 -3.522 -0.893 -5.203 1.00 12.15 H new ATOM 0 HD23 LEU A 38 -1.827 -0.701 -5.708 1.00 12.15 H new ATOM 649 N LYS A 39 -6.358 -1.847 -8.722 1.00 20.13 N ATOM 650 CA LYS A 39 -7.815 -1.744 -8.916 1.00 44.51 C ATOM 651 C LYS A 39 -8.581 -2.896 -8.228 1.00 64.02 C ATOM 652 O LYS A 39 -9.524 -2.641 -7.480 1.00 14.55 O ATOM 653 CB LYS A 39 -8.146 -1.759 -10.429 1.00 35.25 C ATOM 654 CG LYS A 39 -7.595 -0.566 -11.229 1.00 61.02 C ATOM 655 CD LYS A 39 -7.691 -0.785 -12.757 1.00 74.50 C ATOM 656 CE LYS A 39 -9.124 -1.068 -13.246 1.00 11.11 C ATOM 657 NZ LYS A 39 -9.152 -1.443 -14.685 1.00 43.11 N ATOM 0 H LYS A 39 -5.842 -1.922 -9.599 1.00 20.13 H new ATOM 0 HA LYS A 39 -8.133 -0.806 -8.461 1.00 44.51 H new ATOM 0 HB2 LYS A 39 -7.754 -2.679 -10.862 1.00 35.25 H new ATOM 0 HB3 LYS A 39 -9.229 -1.787 -10.548 1.00 35.25 H new ATOM 0 HG2 LYS A 39 -8.146 0.335 -10.959 1.00 61.02 H new ATOM 0 HG3 LYS A 39 -6.554 -0.397 -10.954 1.00 61.02 H new ATOM 0 HD2 LYS A 39 -7.309 0.099 -13.268 1.00 74.50 H new ATOM 0 HD3 LYS A 39 -7.048 -1.619 -13.038 1.00 74.50 H new ATOM 0 HE2 LYS A 39 -9.559 -1.872 -12.652 1.00 11.11 H new ATOM 0 HE3 LYS A 39 -9.743 -0.185 -13.088 1.00 11.11 H new ATOM 0 HZ1 LYS A 39 -10.109 -1.756 -14.944 1.00 43.11 H new ATOM 0 HZ2 LYS A 39 -8.889 -0.620 -15.263 1.00 43.11 H new ATOM 0 HZ3 LYS A 39 -8.477 -2.216 -14.856 1.00 43.11 H new ATOM 671 N LYS A 40 -8.155 -4.157 -8.487 1.00 22.22 N ATOM 672 CA LYS A 40 -8.891 -5.359 -8.024 1.00 1.23 C ATOM 673 C LYS A 40 -8.858 -5.484 -6.483 1.00 14.41 C ATOM 674 O LYS A 40 -9.817 -5.978 -5.876 1.00 40.44 O ATOM 675 CB LYS A 40 -8.353 -6.665 -8.694 1.00 3.15 C ATOM 676 CG LYS A 40 -7.012 -7.185 -8.135 1.00 43.15 C ATOM 677 CD LYS A 40 -6.525 -8.500 -8.789 1.00 62.33 C ATOM 678 CE LYS A 40 -5.232 -9.026 -8.136 1.00 13.32 C ATOM 679 NZ LYS A 40 -4.729 -10.263 -8.792 1.00 63.33 N ATOM 0 H LYS A 40 -7.307 -4.367 -9.013 1.00 22.22 H new ATOM 0 HA LYS A 40 -9.929 -5.231 -8.332 1.00 1.23 H new ATOM 0 HB2 LYS A 40 -9.103 -7.448 -8.582 1.00 3.15 H new ATOM 0 HB3 LYS A 40 -8.238 -6.485 -9.763 1.00 3.15 H new ATOM 0 HG2 LYS A 40 -6.250 -6.418 -8.275 1.00 43.15 H new ATOM 0 HG3 LYS A 40 -7.114 -7.341 -7.061 1.00 43.15 H new ATOM 0 HD2 LYS A 40 -7.306 -9.256 -8.707 1.00 62.33 H new ATOM 0 HD3 LYS A 40 -6.352 -8.334 -9.852 1.00 62.33 H new ATOM 0 HE2 LYS A 40 -4.464 -8.254 -8.184 1.00 13.32 H new ATOM 0 HE3 LYS A 40 -5.417 -9.227 -7.081 1.00 13.32 H new ATOM 0 HZ1 LYS A 40 -3.859 -10.578 -8.318 1.00 63.33 H new ATOM 0 HZ2 LYS A 40 -5.450 -11.010 -8.724 1.00 63.33 H new ATOM 0 HZ3 LYS A 40 -4.527 -10.067 -9.793 1.00 63.33 H new ATOM 693 N TYR A 41 -7.749 -5.027 -5.864 1.00 62.44 N ATOM 694 CA TYR A 41 -7.634 -4.972 -4.395 1.00 71.43 C ATOM 695 C TYR A 41 -8.626 -3.947 -3.820 1.00 25.42 C ATOM 696 O TYR A 41 -9.301 -4.224 -2.825 1.00 34.33 O ATOM 697 CB TYR A 41 -6.183 -4.648 -3.954 1.00 31.05 C ATOM 698 CG TYR A 41 -5.174 -5.795 -4.187 1.00 73.21 C ATOM 699 CD1 TYR A 41 -5.422 -7.086 -3.700 1.00 64.31 C ATOM 700 CD2 TYR A 41 -3.968 -5.581 -4.856 1.00 14.13 C ATOM 701 CE1 TYR A 41 -4.505 -8.111 -3.882 1.00 3.21 C ATOM 702 CE2 TYR A 41 -3.055 -6.606 -5.044 1.00 4.24 C ATOM 703 CZ TYR A 41 -3.323 -7.863 -4.552 1.00 13.52 C ATOM 704 OH TYR A 41 -2.402 -8.876 -4.726 1.00 32.14 O ATOM 0 H TYR A 41 -6.923 -4.692 -6.360 1.00 62.44 H new ATOM 0 HA TYR A 41 -7.884 -5.956 -3.998 1.00 71.43 H new ATOM 0 HB2 TYR A 41 -5.841 -3.765 -4.493 1.00 31.05 H new ATOM 0 HB3 TYR A 41 -6.187 -4.393 -2.894 1.00 31.05 H new ATOM 0 HD1 TYR A 41 -6.344 -7.286 -3.174 1.00 64.31 H new ATOM 0 HD2 TYR A 41 -3.742 -4.595 -5.235 1.00 14.13 H new ATOM 0 HE1 TYR A 41 -4.715 -9.100 -3.501 1.00 3.21 H new ATOM 0 HE2 TYR A 41 -2.134 -6.419 -5.576 1.00 4.24 H new ATOM 0 HH TYR A 41 -1.521 -8.489 -4.911 1.00 32.14 H new ATOM 714 N LEU A 42 -8.717 -2.772 -4.484 1.00 72.35 N ATOM 715 CA LEU A 42 -9.700 -1.719 -4.131 1.00 2.21 C ATOM 716 C LEU A 42 -11.159 -2.220 -4.293 1.00 52.11 C ATOM 717 O LEU A 42 -12.021 -1.851 -3.499 1.00 11.22 O ATOM 718 CB LEU A 42 -9.459 -0.441 -4.977 1.00 12.10 C ATOM 719 CG LEU A 42 -8.088 0.281 -4.764 1.00 61.44 C ATOM 720 CD1 LEU A 42 -7.908 1.422 -5.781 1.00 41.52 C ATOM 721 CD2 LEU A 42 -7.922 0.799 -3.312 1.00 23.21 C ATOM 0 H LEU A 42 -8.118 -2.527 -5.272 1.00 72.35 H new ATOM 0 HA LEU A 42 -9.555 -1.471 -3.080 1.00 2.21 H new ATOM 0 HB2 LEU A 42 -9.546 -0.706 -6.031 1.00 12.10 H new ATOM 0 HB3 LEU A 42 -10.257 0.269 -4.760 1.00 12.10 H new ATOM 0 HG LEU A 42 -7.304 -0.457 -4.932 1.00 61.44 H new ATOM 0 HD11 LEU A 42 -6.948 1.910 -5.614 1.00 41.52 H new ATOM 0 HD12 LEU A 42 -7.938 1.016 -6.792 1.00 41.52 H new ATOM 0 HD13 LEU A 42 -8.711 2.149 -5.658 1.00 41.52 H new ATOM 0 HD21 LEU A 42 -6.956 1.293 -3.210 1.00 23.21 H new ATOM 0 HD22 LEU A 42 -8.718 1.508 -3.085 1.00 23.21 H new ATOM 0 HD23 LEU A 42 -7.975 -0.040 -2.618 1.00 23.21 H new ATOM 733 N GLU A 43 -11.407 -3.073 -5.313 1.00 53.33 N ATOM 734 CA GLU A 43 -12.720 -3.734 -5.537 1.00 73.13 C ATOM 735 C GLU A 43 -13.152 -4.561 -4.308 1.00 45.31 C ATOM 736 O GLU A 43 -14.340 -4.595 -3.952 1.00 61.14 O ATOM 737 CB GLU A 43 -12.671 -4.647 -6.792 1.00 42.52 C ATOM 738 CG GLU A 43 -12.589 -3.901 -8.138 1.00 33.33 C ATOM 739 CD GLU A 43 -13.852 -3.088 -8.476 1.00 63.23 C ATOM 740 OE1 GLU A 43 -14.964 -3.646 -8.402 1.00 74.25 O ATOM 741 OE2 GLU A 43 -13.745 -1.904 -8.850 1.00 4.24 O ATOM 0 H GLU A 43 -10.703 -3.325 -6.007 1.00 53.33 H new ATOM 0 HA GLU A 43 -13.456 -2.946 -5.698 1.00 73.13 H new ATOM 0 HB2 GLU A 43 -11.809 -5.309 -6.708 1.00 42.52 H new ATOM 0 HB3 GLU A 43 -13.559 -5.279 -6.798 1.00 42.52 H new ATOM 0 HG2 GLU A 43 -11.730 -3.230 -8.119 1.00 33.33 H new ATOM 0 HG3 GLU A 43 -12.410 -4.625 -8.933 1.00 33.33 H new ATOM 748 N GLU A 44 -12.175 -5.226 -3.673 1.00 31.53 N ATOM 749 CA GLU A 44 -12.400 -5.963 -2.423 1.00 22.30 C ATOM 750 C GLU A 44 -12.638 -4.990 -1.258 1.00 62.40 C ATOM 751 O GLU A 44 -13.485 -5.240 -0.410 1.00 14.33 O ATOM 752 CB GLU A 44 -11.212 -6.905 -2.111 1.00 22.41 C ATOM 753 CG GLU A 44 -10.973 -8.005 -3.168 1.00 2.11 C ATOM 754 CD GLU A 44 -12.236 -8.825 -3.491 1.00 1.11 C ATOM 755 OE1 GLU A 44 -12.683 -9.620 -2.639 1.00 55.21 O ATOM 756 OE2 GLU A 44 -12.813 -8.658 -4.586 1.00 30.21 O ATOM 0 H GLU A 44 -11.213 -5.267 -4.010 1.00 31.53 H new ATOM 0 HA GLU A 44 -13.292 -6.576 -2.549 1.00 22.30 H new ATOM 0 HB2 GLU A 44 -10.306 -6.307 -2.016 1.00 22.41 H new ATOM 0 HB3 GLU A 44 -11.384 -7.379 -1.145 1.00 22.41 H new ATOM 0 HG2 GLU A 44 -10.603 -7.544 -4.084 1.00 2.11 H new ATOM 0 HG3 GLU A 44 -10.193 -8.678 -2.812 1.00 2.11 H new ATOM 763 N PHE A 45 -11.896 -3.869 -1.243 1.00 5.52 N ATOM 764 CA PHE A 45 -12.025 -2.840 -0.188 1.00 11.31 C ATOM 765 C PHE A 45 -13.376 -2.090 -0.255 1.00 50.22 C ATOM 766 O PHE A 45 -13.798 -1.505 0.740 1.00 53.34 O ATOM 767 CB PHE A 45 -10.831 -1.853 -0.229 1.00 13.20 C ATOM 768 CG PHE A 45 -9.453 -2.518 -0.037 1.00 31.23 C ATOM 769 CD1 PHE A 45 -9.293 -3.665 0.761 1.00 4.24 C ATOM 770 CD2 PHE A 45 -8.319 -1.998 -0.658 1.00 1.31 C ATOM 771 CE1 PHE A 45 -8.047 -4.255 0.920 1.00 35.11 C ATOM 772 CE2 PHE A 45 -7.082 -2.592 -0.495 1.00 44.42 C ATOM 773 CZ PHE A 45 -6.944 -3.716 0.291 1.00 41.22 C ATOM 0 H PHE A 45 -11.196 -3.649 -1.952 1.00 5.52 H new ATOM 0 HA PHE A 45 -12.006 -3.361 0.769 1.00 11.31 H new ATOM 0 HB2 PHE A 45 -10.839 -1.330 -1.185 1.00 13.20 H new ATOM 0 HB3 PHE A 45 -10.970 -1.100 0.547 1.00 13.20 H new ATOM 0 HD1 PHE A 45 -10.152 -4.093 1.257 1.00 4.24 H new ATOM 0 HD2 PHE A 45 -8.408 -1.117 -1.276 1.00 1.31 H new ATOM 0 HE1 PHE A 45 -7.941 -5.136 1.536 1.00 35.11 H new ATOM 0 HE2 PHE A 45 -6.217 -2.173 -0.987 1.00 44.42 H new ATOM 0 HZ PHE A 45 -5.974 -4.174 0.414 1.00 41.22 H new ATOM 783 N ARG A 46 -14.044 -2.144 -1.427 1.00 5.23 N ATOM 784 CA ARG A 46 -15.387 -1.549 -1.637 1.00 42.02 C ATOM 785 C ARG A 46 -16.453 -2.268 -0.784 1.00 71.43 C ATOM 786 O ARG A 46 -17.182 -1.634 -0.015 1.00 11.21 O ATOM 787 CB ARG A 46 -15.788 -1.629 -3.138 1.00 34.42 C ATOM 788 CG ARG A 46 -14.990 -0.719 -4.095 1.00 13.03 C ATOM 789 CD ARG A 46 -15.420 -0.910 -5.564 1.00 11.41 C ATOM 790 NE ARG A 46 -16.860 -0.633 -5.761 1.00 72.43 N ATOM 791 CZ ARG A 46 -17.625 -1.123 -6.754 1.00 60.03 C ATOM 792 NH1 ARG A 46 -17.124 -1.942 -7.680 1.00 31.41 N ATOM 793 NH2 ARG A 46 -18.906 -0.778 -6.818 1.00 55.00 N ATOM 0 H ARG A 46 -13.669 -2.602 -2.258 1.00 5.23 H new ATOM 0 HA ARG A 46 -15.337 -0.504 -1.329 1.00 42.02 H new ATOM 0 HB2 ARG A 46 -15.676 -2.661 -3.470 1.00 34.42 H new ATOM 0 HB3 ARG A 46 -16.845 -1.379 -3.226 1.00 34.42 H new ATOM 0 HG2 ARG A 46 -15.132 0.323 -3.808 1.00 13.03 H new ATOM 0 HG3 ARG A 46 -13.926 -0.934 -3.997 1.00 13.03 H new ATOM 0 HD2 ARG A 46 -14.833 -0.249 -6.202 1.00 11.41 H new ATOM 0 HD3 ARG A 46 -15.201 -1.931 -5.876 1.00 11.41 H new ATOM 0 HE ARG A 46 -17.312 -0.017 -5.085 1.00 72.43 H new ATOM 0 HH11 ARG A 46 -16.140 -2.210 -7.645 1.00 31.41 H new ATOM 0 HH12 ARG A 46 -17.724 -2.300 -8.423 1.00 31.41 H new ATOM 0 HH21 ARG A 46 -19.300 -0.148 -6.119 1.00 55.00 H new ATOM 0 HH22 ARG A 46 -19.496 -1.143 -7.566 1.00 55.00 H new ATOM 807 N LYS A 47 -16.496 -3.614 -0.914 1.00 65.34 N ATOM 808 CA LYS A 47 -17.517 -4.469 -0.254 1.00 3.20 C ATOM 809 C LYS A 47 -17.319 -4.532 1.280 1.00 62.52 C ATOM 810 O LYS A 47 -18.180 -5.043 2.002 1.00 41.30 O ATOM 811 CB LYS A 47 -17.497 -5.902 -0.881 1.00 3.42 C ATOM 812 CG LYS A 47 -16.215 -6.716 -0.595 1.00 2.34 C ATOM 813 CD LYS A 47 -16.068 -7.998 -1.455 1.00 44.13 C ATOM 814 CE LYS A 47 -15.922 -7.715 -2.961 1.00 62.24 C ATOM 815 NZ LYS A 47 -15.686 -8.965 -3.744 1.00 61.21 N ATOM 0 H LYS A 47 -15.827 -4.139 -1.477 1.00 65.34 H new ATOM 0 HA LYS A 47 -18.494 -4.018 -0.427 1.00 3.20 H new ATOM 0 HB2 LYS A 47 -18.356 -6.459 -0.506 1.00 3.42 H new ATOM 0 HB3 LYS A 47 -17.621 -5.813 -1.960 1.00 3.42 H new ATOM 0 HG2 LYS A 47 -15.348 -6.078 -0.764 1.00 2.34 H new ATOM 0 HG3 LYS A 47 -16.204 -6.996 0.458 1.00 2.34 H new ATOM 0 HD2 LYS A 47 -15.197 -8.557 -1.113 1.00 44.13 H new ATOM 0 HD3 LYS A 47 -16.939 -8.634 -1.296 1.00 44.13 H new ATOM 0 HE2 LYS A 47 -16.823 -7.223 -3.327 1.00 62.24 H new ATOM 0 HE3 LYS A 47 -15.094 -7.025 -3.122 1.00 62.24 H new ATOM 0 HZ1 LYS A 47 -14.732 -8.941 -4.158 1.00 61.21 H new ATOM 0 HZ2 LYS A 47 -15.770 -9.789 -3.116 1.00 61.21 H new ATOM 0 HZ3 LYS A 47 -16.391 -9.036 -4.505 1.00 61.21 H new ATOM 829 N GLU A 48 -16.186 -3.990 1.762 1.00 22.11 N ATOM 830 CA GLU A 48 -15.840 -3.952 3.196 1.00 31.42 C ATOM 831 C GLU A 48 -15.481 -2.515 3.636 1.00 61.42 C ATOM 832 O GLU A 48 -14.732 -2.320 4.607 1.00 65.20 O ATOM 833 CB GLU A 48 -14.669 -4.938 3.460 1.00 12.51 C ATOM 834 CG GLU A 48 -13.378 -4.584 2.704 1.00 11.10 C ATOM 835 CD GLU A 48 -12.270 -5.634 2.839 1.00 2.21 C ATOM 836 OE1 GLU A 48 -12.324 -6.662 2.121 1.00 21.42 O ATOM 837 OE2 GLU A 48 -11.348 -5.442 3.658 1.00 71.20 O ATOM 0 H GLU A 48 -15.479 -3.563 1.164 1.00 22.11 H new ATOM 0 HA GLU A 48 -16.701 -4.261 3.788 1.00 31.42 H new ATOM 0 HB2 GLU A 48 -14.459 -4.960 4.529 1.00 12.51 H new ATOM 0 HB3 GLU A 48 -14.981 -5.943 3.176 1.00 12.51 H new ATOM 0 HG2 GLU A 48 -13.612 -4.451 1.648 1.00 11.10 H new ATOM 0 HG3 GLU A 48 -13.005 -3.628 3.070 1.00 11.10 H new ATOM 844 N SER A 49 -16.036 -1.502 2.926 1.00 25.32 N ATOM 845 CA SER A 49 -15.922 -0.091 3.344 1.00 35.42 C ATOM 846 C SER A 49 -16.751 0.144 4.634 1.00 33.54 C ATOM 847 O SER A 49 -17.934 0.498 4.584 1.00 23.40 O ATOM 848 CB SER A 49 -16.337 0.871 2.199 1.00 22.22 C ATOM 849 OG SER A 49 -15.489 0.743 1.078 1.00 43.24 O ATOM 0 H SER A 49 -16.565 -1.640 2.065 1.00 25.32 H new ATOM 0 HA SER A 49 -14.878 0.128 3.569 1.00 35.42 H new ATOM 0 HB2 SER A 49 -17.365 0.663 1.903 1.00 22.22 H new ATOM 0 HB3 SER A 49 -16.311 1.899 2.560 1.00 22.22 H new ATOM 0 HG SER A 49 -14.963 -0.080 1.158 1.00 43.24 H new ATOM 855 N GLN A 50 -16.107 -0.151 5.785 1.00 4.05 N ATOM 856 CA GLN A 50 -16.696 -0.040 7.135 1.00 33.35 C ATOM 857 C GLN A 50 -15.542 0.073 8.167 1.00 35.13 C ATOM 858 O GLN A 50 -15.049 -0.935 8.691 1.00 43.54 O ATOM 859 CB GLN A 50 -17.642 -1.257 7.426 1.00 61.42 C ATOM 860 CG GLN A 50 -17.030 -2.652 7.152 1.00 74.21 C ATOM 861 CD GLN A 50 -17.984 -3.815 7.432 1.00 62.42 C ATOM 862 OE1 GLN A 50 -18.717 -4.269 6.549 1.00 54.35 O ATOM 863 NE2 GLN A 50 -18.013 -4.282 8.673 1.00 62.44 N ATOM 0 H GLN A 50 -15.142 -0.480 5.800 1.00 4.05 H new ATOM 0 HA GLN A 50 -17.315 0.854 7.208 1.00 33.35 H new ATOM 0 HB2 GLN A 50 -17.952 -1.213 8.470 1.00 61.42 H new ATOM 0 HB3 GLN A 50 -18.542 -1.149 6.821 1.00 61.42 H new ATOM 0 HG2 GLN A 50 -16.711 -2.700 6.111 1.00 74.21 H new ATOM 0 HG3 GLN A 50 -16.137 -2.772 7.765 1.00 74.21 H new ATOM 0 HE21 GLN A 50 -17.395 -3.886 9.381 1.00 62.44 H new ATOM 0 HE22 GLN A 50 -18.653 -5.037 8.919 1.00 62.44 H new ATOM 872 N ASN A 51 -15.084 1.324 8.398 1.00 52.12 N ATOM 873 CA ASN A 51 -13.875 1.624 9.197 1.00 61.52 C ATOM 874 C ASN A 51 -12.650 0.912 8.609 1.00 63.05 C ATOM 875 O ASN A 51 -12.010 0.078 9.262 1.00 72.22 O ATOM 876 CB ASN A 51 -14.068 1.301 10.715 1.00 43.03 C ATOM 877 CG ASN A 51 -14.925 2.335 11.441 1.00 22.12 C ATOM 878 OD1 ASN A 51 -14.901 3.523 11.114 1.00 72.34 O ATOM 879 ND2 ASN A 51 -15.682 1.905 12.434 1.00 14.25 N ATOM 0 H ASN A 51 -15.545 2.158 8.033 1.00 52.12 H new ATOM 0 HA ASN A 51 -13.701 2.698 9.139 1.00 61.52 H new ATOM 0 HB2 ASN A 51 -14.530 0.319 10.816 1.00 43.03 H new ATOM 0 HB3 ASN A 51 -13.091 1.245 11.196 1.00 43.03 H new ATOM 0 HD21 ASN A 51 -16.266 2.562 12.951 1.00 14.25 H new ATOM 0 HD22 ASN A 51 -15.683 0.916 12.684 1.00 14.25 H new ATOM 886 N ILE A 52 -12.366 1.236 7.341 1.00 3.33 N ATOM 887 CA ILE A 52 -11.227 0.689 6.600 1.00 53.12 C ATOM 888 C ILE A 52 -10.337 1.848 6.144 1.00 34.51 C ATOM 889 O ILE A 52 -10.839 2.927 5.805 1.00 25.15 O ATOM 890 CB ILE A 52 -11.686 -0.194 5.371 1.00 64.20 C ATOM 891 CG1 ILE A 52 -10.462 -0.875 4.669 1.00 32.21 C ATOM 892 CG2 ILE A 52 -12.526 0.616 4.356 1.00 4.05 C ATOM 893 CD1 ILE A 52 -10.826 -1.881 3.586 1.00 70.24 C ATOM 0 H ILE A 52 -12.927 1.892 6.797 1.00 3.33 H new ATOM 0 HA ILE A 52 -10.664 0.027 7.258 1.00 53.12 H new ATOM 0 HB ILE A 52 -12.328 -0.980 5.768 1.00 64.20 H new ATOM 0 HG12 ILE A 52 -9.836 -0.099 4.229 1.00 32.21 H new ATOM 0 HG13 ILE A 52 -9.861 -1.379 5.426 1.00 32.21 H new ATOM 0 HG21 ILE A 52 -12.819 -0.030 3.529 1.00 4.05 H new ATOM 0 HG22 ILE A 52 -13.418 1.003 4.849 1.00 4.05 H new ATOM 0 HG23 ILE A 52 -11.933 1.447 3.974 1.00 4.05 H new ATOM 0 HD11 ILE A 52 -9.915 -2.300 3.158 1.00 70.24 H new ATOM 0 HD12 ILE A 52 -11.425 -2.682 4.020 1.00 70.24 H new ATOM 0 HD13 ILE A 52 -11.399 -1.383 2.804 1.00 70.24 H new ATOM 905 N LYS A 53 -9.021 1.633 6.189 1.00 62.42 N ATOM 906 CA LYS A 53 -8.013 2.597 5.741 1.00 13.24 C ATOM 907 C LYS A 53 -6.906 1.817 5.037 1.00 10.24 C ATOM 908 O LYS A 53 -6.440 0.793 5.551 1.00 4.33 O ATOM 909 CB LYS A 53 -7.441 3.401 6.939 1.00 4.30 C ATOM 910 CG LYS A 53 -8.471 4.301 7.657 1.00 43.00 C ATOM 911 CD LYS A 53 -7.896 5.034 8.885 1.00 11.32 C ATOM 912 CE LYS A 53 -6.702 5.928 8.552 1.00 51.21 C ATOM 913 NZ LYS A 53 -6.211 6.635 9.760 1.00 42.24 N ATOM 0 H LYS A 53 -8.617 0.767 6.545 1.00 62.42 H new ATOM 0 HA LYS A 53 -8.462 3.318 5.058 1.00 13.24 H new ATOM 0 HB2 LYS A 53 -7.022 2.702 7.662 1.00 4.30 H new ATOM 0 HB3 LYS A 53 -6.619 4.023 6.584 1.00 4.30 H new ATOM 0 HG2 LYS A 53 -8.853 5.037 6.950 1.00 43.00 H new ATOM 0 HG3 LYS A 53 -9.318 3.691 7.971 1.00 43.00 H new ATOM 0 HD2 LYS A 53 -8.680 5.641 9.337 1.00 11.32 H new ATOM 0 HD3 LYS A 53 -7.593 4.298 9.630 1.00 11.32 H new ATOM 0 HE2 LYS A 53 -5.899 5.325 8.128 1.00 51.21 H new ATOM 0 HE3 LYS A 53 -6.989 6.655 7.793 1.00 51.21 H new ATOM 0 HZ1 LYS A 53 -5.400 7.235 9.506 1.00 42.24 H new ATOM 0 HZ2 LYS A 53 -6.972 7.228 10.149 1.00 42.24 H new ATOM 0 HZ3 LYS A 53 -5.916 5.939 10.474 1.00 42.24 H new ATOM 927 N VAL A 54 -6.505 2.299 3.853 1.00 2.15 N ATOM 928 CA VAL A 54 -5.484 1.644 3.017 1.00 42.05 C ATOM 929 C VAL A 54 -4.232 2.535 2.927 1.00 72.51 C ATOM 930 O VAL A 54 -4.344 3.757 2.836 1.00 34.23 O ATOM 931 CB VAL A 54 -6.048 1.329 1.578 1.00 74.41 C ATOM 932 CG1 VAL A 54 -5.036 0.519 0.731 1.00 13.05 C ATOM 933 CG2 VAL A 54 -7.414 0.600 1.675 1.00 63.25 C ATOM 0 H VAL A 54 -6.879 3.156 3.445 1.00 2.15 H new ATOM 0 HA VAL A 54 -5.211 0.696 3.481 1.00 42.05 H new ATOM 0 HB VAL A 54 -6.204 2.278 1.066 1.00 74.41 H new ATOM 0 HG11 VAL A 54 -5.461 0.322 -0.253 1.00 13.05 H new ATOM 0 HG12 VAL A 54 -4.114 1.090 0.620 1.00 13.05 H new ATOM 0 HG13 VAL A 54 -4.819 -0.426 1.229 1.00 13.05 H new ATOM 0 HG21 VAL A 54 -7.787 0.391 0.672 1.00 63.25 H new ATOM 0 HG22 VAL A 54 -7.289 -0.337 2.218 1.00 63.25 H new ATOM 0 HG23 VAL A 54 -8.127 1.233 2.203 1.00 63.25 H new ATOM 943 N LEU A 55 -3.052 1.907 2.999 1.00 13.33 N ATOM 944 CA LEU A 55 -1.753 2.575 2.838 1.00 21.01 C ATOM 945 C LEU A 55 -1.012 1.925 1.662 1.00 33.43 C ATOM 946 O LEU A 55 -0.636 0.762 1.744 1.00 63.53 O ATOM 947 CB LEU A 55 -0.919 2.429 4.141 1.00 62.45 C ATOM 948 CG LEU A 55 0.519 3.045 4.107 1.00 34.25 C ATOM 949 CD1 LEU A 55 0.489 4.582 3.998 1.00 4.01 C ATOM 950 CD2 LEU A 55 1.354 2.572 5.312 1.00 41.41 C ATOM 0 H LEU A 55 -2.971 0.905 3.173 1.00 13.33 H new ATOM 0 HA LEU A 55 -1.901 3.637 2.640 1.00 21.01 H new ATOM 0 HB2 LEU A 55 -1.473 2.893 4.957 1.00 62.45 H new ATOM 0 HB3 LEU A 55 -0.833 1.368 4.377 1.00 62.45 H new ATOM 0 HG LEU A 55 1.007 2.680 3.204 1.00 34.25 H new ATOM 0 HD11 LEU A 55 1.509 4.965 3.978 1.00 4.01 H new ATOM 0 HD12 LEU A 55 -0.026 4.872 3.082 1.00 4.01 H new ATOM 0 HD13 LEU A 55 -0.038 4.997 4.857 1.00 4.01 H new ATOM 0 HD21 LEU A 55 2.348 3.016 5.262 1.00 41.41 H new ATOM 0 HD22 LEU A 55 0.865 2.879 6.236 1.00 41.41 H new ATOM 0 HD23 LEU A 55 1.440 1.486 5.291 1.00 41.41 H new ATOM 962 N ILE A 56 -0.812 2.673 0.574 1.00 64.11 N ATOM 963 CA ILE A 56 -0.143 2.170 -0.636 1.00 52.15 C ATOM 964 C ILE A 56 1.284 2.754 -0.704 1.00 44.53 C ATOM 965 O ILE A 56 1.446 3.973 -0.766 1.00 10.42 O ATOM 966 CB ILE A 56 -0.945 2.540 -1.949 1.00 51.33 C ATOM 967 CG1 ILE A 56 -2.421 2.032 -1.859 1.00 50.44 C ATOM 968 CG2 ILE A 56 -0.242 1.951 -3.198 1.00 52.22 C ATOM 969 CD1 ILE A 56 -3.315 2.452 -3.012 1.00 20.22 C ATOM 0 H ILE A 56 -1.109 3.646 0.504 1.00 64.11 H new ATOM 0 HA ILE A 56 -0.101 1.082 -0.577 1.00 52.15 H new ATOM 0 HB ILE A 56 -0.964 3.626 -2.043 1.00 51.33 H new ATOM 0 HG12 ILE A 56 -2.412 0.943 -1.804 1.00 50.44 H new ATOM 0 HG13 ILE A 56 -2.858 2.395 -0.929 1.00 50.44 H new ATOM 0 HG21 ILE A 56 -0.807 2.215 -4.092 1.00 52.22 H new ATOM 0 HG22 ILE A 56 0.767 2.357 -3.273 1.00 52.22 H new ATOM 0 HG23 ILE A 56 -0.191 0.866 -3.109 1.00 52.22 H new ATOM 0 HD11 ILE A 56 -4.317 2.052 -2.860 1.00 20.22 H new ATOM 0 HD12 ILE A 56 -3.362 3.540 -3.059 1.00 20.22 H new ATOM 0 HD13 ILE A 56 -2.909 2.066 -3.947 1.00 20.22 H new ATOM 981 N LEU A 57 2.309 1.876 -0.678 1.00 73.35 N ATOM 982 CA LEU A 57 3.725 2.272 -0.810 1.00 21.32 C ATOM 983 C LEU A 57 4.173 1.907 -2.221 1.00 41.41 C ATOM 984 O LEU A 57 4.229 0.724 -2.568 1.00 62.42 O ATOM 985 CB LEU A 57 4.649 1.564 0.237 1.00 22.21 C ATOM 986 CG LEU A 57 4.400 1.880 1.754 1.00 70.54 C ATOM 987 CD1 LEU A 57 4.240 3.392 2.012 1.00 22.33 C ATOM 988 CD2 LEU A 57 3.212 1.077 2.322 1.00 24.40 C ATOM 0 H LEU A 57 2.176 0.871 -0.565 1.00 73.35 H new ATOM 0 HA LEU A 57 3.809 3.343 -0.623 1.00 21.32 H new ATOM 0 HB2 LEU A 57 4.552 0.487 0.097 1.00 22.21 H new ATOM 0 HB3 LEU A 57 5.682 1.824 0.004 1.00 22.21 H new ATOM 0 HG LEU A 57 5.292 1.558 2.291 1.00 70.54 H new ATOM 0 HD11 LEU A 57 4.070 3.564 3.075 1.00 22.33 H new ATOM 0 HD12 LEU A 57 5.146 3.912 1.701 1.00 22.33 H new ATOM 0 HD13 LEU A 57 3.391 3.770 1.443 1.00 22.33 H new ATOM 0 HD21 LEU A 57 3.075 1.326 3.374 1.00 24.40 H new ATOM 0 HD22 LEU A 57 2.307 1.326 1.769 1.00 24.40 H new ATOM 0 HD23 LEU A 57 3.414 0.010 2.225 1.00 24.40 H new ATOM 1000 N VAL A 58 4.472 2.916 -3.022 1.00 42.33 N ATOM 1001 CA VAL A 58 4.827 2.744 -4.434 1.00 41.24 C ATOM 1002 C VAL A 58 6.327 2.980 -4.635 1.00 3.04 C ATOM 1003 O VAL A 58 6.977 3.598 -3.795 1.00 41.20 O ATOM 1004 CB VAL A 58 4.002 3.733 -5.321 1.00 44.11 C ATOM 1005 CG1 VAL A 58 2.487 3.544 -5.102 1.00 2.13 C ATOM 1006 CG2 VAL A 58 4.409 5.193 -5.078 1.00 61.13 C ATOM 0 H VAL A 58 4.477 3.889 -2.715 1.00 42.33 H new ATOM 0 HA VAL A 58 4.590 1.723 -4.733 1.00 41.24 H new ATOM 0 HB VAL A 58 4.229 3.498 -6.361 1.00 44.11 H new ATOM 0 HG11 VAL A 58 1.938 4.245 -5.731 1.00 2.13 H new ATOM 0 HG12 VAL A 58 2.206 2.524 -5.364 1.00 2.13 H new ATOM 0 HG13 VAL A 58 2.245 3.730 -4.056 1.00 2.13 H new ATOM 0 HG21 VAL A 58 3.812 5.848 -5.713 1.00 61.13 H new ATOM 0 HG22 VAL A 58 4.239 5.449 -4.032 1.00 61.13 H new ATOM 0 HG23 VAL A 58 5.465 5.321 -5.316 1.00 61.13 H new ATOM 1016 N SER A 59 6.868 2.496 -5.753 1.00 55.15 N ATOM 1017 CA SER A 59 8.289 2.677 -6.087 1.00 63.44 C ATOM 1018 C SER A 59 8.511 4.034 -6.790 1.00 0.23 C ATOM 1019 O SER A 59 9.354 4.838 -6.379 1.00 14.13 O ATOM 1020 CB SER A 59 8.771 1.499 -6.972 1.00 60.45 C ATOM 1021 OG SER A 59 10.156 1.586 -7.263 1.00 1.13 O ATOM 0 H SER A 59 6.342 1.970 -6.451 1.00 55.15 H new ATOM 0 HA SER A 59 8.877 2.682 -5.169 1.00 63.44 H new ATOM 0 HB2 SER A 59 8.566 0.556 -6.465 1.00 60.45 H new ATOM 0 HB3 SER A 59 8.205 1.490 -7.903 1.00 60.45 H new ATOM 0 HG SER A 59 10.301 2.248 -7.971 1.00 1.13 H new ATOM 1027 N ASN A 60 7.707 4.287 -7.834 1.00 10.44 N ATOM 1028 CA ASN A 60 7.925 5.402 -8.783 1.00 65.33 C ATOM 1029 C ASN A 60 6.784 6.424 -8.714 1.00 20.22 C ATOM 1030 O ASN A 60 5.706 6.123 -8.196 1.00 4.55 O ATOM 1031 CB ASN A 60 8.049 4.825 -10.213 1.00 43.13 C ATOM 1032 CG ASN A 60 9.152 3.766 -10.341 1.00 0.42 C ATOM 1033 OD1 ASN A 60 10.188 3.837 -9.675 1.00 71.42 O ATOM 1034 ND2 ASN A 60 8.924 2.761 -11.176 1.00 64.23 N ATOM 0 H ASN A 60 6.883 3.725 -8.049 1.00 10.44 H new ATOM 0 HA ASN A 60 8.844 5.923 -8.513 1.00 65.33 H new ATOM 0 HB2 ASN A 60 7.095 4.385 -10.505 1.00 43.13 H new ATOM 0 HB3 ASN A 60 8.251 5.638 -10.910 1.00 43.13 H new ATOM 0 HD21 ASN A 60 9.615 2.018 -11.281 1.00 64.23 H new ATOM 0 HD22 ASN A 60 8.057 2.731 -11.713 1.00 64.23 H new ATOM 1041 N ASP A 61 7.067 7.642 -9.234 1.00 11.34 N ATOM 1042 CA ASP A 61 6.099 8.772 -9.311 1.00 70.30 C ATOM 1043 C ASP A 61 4.885 8.441 -10.204 1.00 21.20 C ATOM 1044 O ASP A 61 3.806 9.008 -10.018 1.00 72.42 O ATOM 1045 CB ASP A 61 6.794 10.070 -9.818 1.00 55.41 C ATOM 1046 CG ASP A 61 7.905 10.544 -8.875 1.00 4.31 C ATOM 1047 OD1 ASP A 61 7.621 11.326 -7.935 1.00 73.22 O ATOM 1048 OD2 ASP A 61 9.066 10.106 -9.042 1.00 31.44 O ATOM 0 H ASP A 61 7.983 7.874 -9.617 1.00 11.34 H new ATOM 0 HA ASP A 61 5.732 8.938 -8.298 1.00 70.30 H new ATOM 0 HB2 ASP A 61 7.213 9.891 -10.808 1.00 55.41 H new ATOM 0 HB3 ASP A 61 6.050 10.859 -9.924 1.00 55.41 H new ATOM 1053 N GLU A 62 5.080 7.533 -11.176 1.00 43.11 N ATOM 1054 CA GLU A 62 3.999 7.024 -12.044 1.00 71.35 C ATOM 1055 C GLU A 62 3.053 6.113 -11.255 1.00 21.31 C ATOM 1056 O GLU A 62 1.841 6.233 -11.376 1.00 35.42 O ATOM 1057 CB GLU A 62 4.575 6.291 -13.303 1.00 32.41 C ATOM 1058 CG GLU A 62 4.741 7.195 -14.544 1.00 20.22 C ATOM 1059 CD GLU A 62 3.393 7.662 -15.139 1.00 32.02 C ATOM 1060 OE1 GLU A 62 2.832 6.946 -15.999 1.00 14.14 O ATOM 1061 OE2 GLU A 62 2.873 8.732 -14.741 1.00 25.34 O ATOM 0 H GLU A 62 5.993 7.129 -11.384 1.00 43.11 H new ATOM 0 HA GLU A 62 3.425 7.879 -12.400 1.00 71.35 H new ATOM 0 HB2 GLU A 62 5.544 5.863 -13.048 1.00 32.41 H new ATOM 0 HB3 GLU A 62 3.917 5.461 -13.558 1.00 32.41 H new ATOM 0 HG2 GLU A 62 5.334 8.069 -14.273 1.00 20.22 H new ATOM 0 HG3 GLU A 62 5.301 6.655 -15.308 1.00 20.22 H new ATOM 1068 N GLU A 63 3.618 5.215 -10.442 1.00 30.32 N ATOM 1069 CA GLU A 63 2.830 4.338 -9.559 1.00 73.34 C ATOM 1070 C GLU A 63 2.133 5.156 -8.457 1.00 45.12 C ATOM 1071 O GLU A 63 1.054 4.786 -8.008 1.00 52.22 O ATOM 1072 CB GLU A 63 3.718 3.222 -8.944 1.00 22.45 C ATOM 1073 CG GLU A 63 4.032 2.045 -9.891 1.00 11.22 C ATOM 1074 CD GLU A 63 4.892 2.402 -11.106 1.00 14.33 C ATOM 1075 OE1 GLU A 63 4.342 2.808 -12.151 1.00 41.24 O ATOM 1076 OE2 GLU A 63 6.119 2.254 -11.025 1.00 20.34 O ATOM 0 H GLU A 63 4.626 5.073 -10.375 1.00 30.32 H new ATOM 0 HA GLU A 63 2.060 3.857 -10.162 1.00 73.34 H new ATOM 0 HB2 GLU A 63 4.658 3.666 -8.616 1.00 22.45 H new ATOM 0 HB3 GLU A 63 3.222 2.832 -8.055 1.00 22.45 H new ATOM 0 HG2 GLU A 63 4.540 1.266 -9.322 1.00 11.22 H new ATOM 0 HG3 GLU A 63 3.092 1.621 -10.243 1.00 11.22 H new ATOM 1083 N LEU A 64 2.784 6.250 -8.025 1.00 24.54 N ATOM 1084 CA LEU A 64 2.205 7.229 -7.084 1.00 72.55 C ATOM 1085 C LEU A 64 0.968 7.888 -7.704 1.00 52.31 C ATOM 1086 O LEU A 64 -0.099 7.943 -7.083 1.00 44.42 O ATOM 1087 CB LEU A 64 3.274 8.301 -6.724 1.00 70.23 C ATOM 1088 CG LEU A 64 2.851 9.401 -5.697 1.00 55.43 C ATOM 1089 CD1 LEU A 64 2.534 8.808 -4.309 1.00 44.14 C ATOM 1090 CD2 LEU A 64 3.924 10.500 -5.597 1.00 74.44 C ATOM 0 H LEU A 64 3.732 6.483 -8.320 1.00 24.54 H new ATOM 0 HA LEU A 64 1.899 6.716 -6.172 1.00 72.55 H new ATOM 0 HB2 LEU A 64 4.151 7.787 -6.330 1.00 70.23 H new ATOM 0 HB3 LEU A 64 3.582 8.796 -7.645 1.00 70.23 H new ATOM 0 HG LEU A 64 1.931 9.853 -6.069 1.00 55.43 H new ATOM 0 HD11 LEU A 64 2.245 9.609 -3.629 1.00 44.14 H new ATOM 0 HD12 LEU A 64 1.716 8.093 -4.397 1.00 44.14 H new ATOM 0 HD13 LEU A 64 3.417 8.302 -3.919 1.00 44.14 H new ATOM 0 HD21 LEU A 64 3.607 11.254 -4.876 1.00 74.44 H new ATOM 0 HD22 LEU A 64 4.866 10.060 -5.271 1.00 74.44 H new ATOM 0 HD23 LEU A 64 4.060 10.966 -6.573 1.00 74.44 H new ATOM 1102 N ASP A 65 1.131 8.327 -8.964 1.00 75.12 N ATOM 1103 CA ASP A 65 0.089 8.998 -9.747 1.00 30.23 C ATOM 1104 C ASP A 65 -1.103 8.060 -9.986 1.00 61.35 C ATOM 1105 O ASP A 65 -2.249 8.450 -9.794 1.00 3.41 O ATOM 1106 CB ASP A 65 0.695 9.477 -11.098 1.00 43.22 C ATOM 1107 CG ASP A 65 -0.335 10.143 -12.024 1.00 61.14 C ATOM 1108 OD1 ASP A 65 -0.873 11.209 -11.650 1.00 14.13 O ATOM 1109 OD2 ASP A 65 -0.615 9.609 -13.123 1.00 34.31 O ATOM 0 H ASP A 65 2.009 8.221 -9.473 1.00 75.12 H new ATOM 0 HA ASP A 65 -0.278 9.861 -9.192 1.00 30.23 H new ATOM 0 HB2 ASP A 65 1.502 10.182 -10.897 1.00 43.22 H new ATOM 0 HB3 ASP A 65 1.138 8.624 -11.612 1.00 43.22 H new ATOM 1114 N LYS A 66 -0.790 6.811 -10.363 1.00 63.34 N ATOM 1115 CA LYS A 66 -1.791 5.788 -10.716 1.00 25.04 C ATOM 1116 C LYS A 66 -2.559 5.312 -9.472 1.00 54.10 C ATOM 1117 O LYS A 66 -3.778 5.204 -9.519 1.00 34.54 O ATOM 1118 CB LYS A 66 -1.128 4.584 -11.480 1.00 61.20 C ATOM 1119 CG LYS A 66 -1.078 4.750 -13.028 1.00 43.12 C ATOM 1120 CD LYS A 66 -0.468 6.100 -13.472 1.00 51.14 C ATOM 1121 CE LYS A 66 -0.510 6.340 -14.992 1.00 61.43 C ATOM 1122 NZ LYS A 66 0.043 7.679 -15.337 1.00 25.15 N ATOM 0 H LYS A 66 0.172 6.478 -10.433 1.00 63.34 H new ATOM 0 HA LYS A 66 -2.513 6.246 -11.392 1.00 25.04 H new ATOM 0 HB2 LYS A 66 -0.112 4.450 -11.109 1.00 61.20 H new ATOM 0 HB3 LYS A 66 -1.677 3.673 -11.243 1.00 61.20 H new ATOM 0 HG2 LYS A 66 -0.494 3.935 -13.456 1.00 43.12 H new ATOM 0 HG3 LYS A 66 -2.088 4.664 -13.430 1.00 43.12 H new ATOM 0 HD2 LYS A 66 -1.001 6.909 -12.973 1.00 51.14 H new ATOM 0 HD3 LYS A 66 0.568 6.146 -13.136 1.00 51.14 H new ATOM 0 HE2 LYS A 66 0.061 5.564 -15.502 1.00 61.43 H new ATOM 0 HE3 LYS A 66 -1.538 6.265 -15.347 1.00 61.43 H new ATOM 0 HZ1 LYS A 66 -0.589 8.151 -16.015 1.00 25.15 H new ATOM 0 HZ2 LYS A 66 0.119 8.256 -14.475 1.00 25.15 H new ATOM 0 HZ3 LYS A 66 0.985 7.566 -15.763 1.00 25.15 H new ATOM 1136 N ALA A 67 -1.844 5.064 -8.359 1.00 30.50 N ATOM 1137 CA ALA A 67 -2.450 4.558 -7.113 1.00 22.25 C ATOM 1138 C ALA A 67 -3.402 5.593 -6.494 1.00 73.45 C ATOM 1139 O ALA A 67 -4.497 5.234 -6.056 1.00 53.21 O ATOM 1140 CB ALA A 67 -1.369 4.142 -6.106 1.00 70.13 C ATOM 0 H ALA A 67 -0.836 5.208 -8.298 1.00 30.50 H new ATOM 0 HA ALA A 67 -3.037 3.675 -7.367 1.00 22.25 H new ATOM 0 HB1 ALA A 67 -1.842 3.773 -5.196 1.00 70.13 H new ATOM 0 HB2 ALA A 67 -0.752 3.355 -6.539 1.00 70.13 H new ATOM 0 HB3 ALA A 67 -0.744 5.003 -5.866 1.00 70.13 H new ATOM 1146 N LYS A 68 -2.980 6.882 -6.492 1.00 55.44 N ATOM 1147 CA LYS A 68 -3.828 7.989 -6.006 1.00 34.21 C ATOM 1148 C LYS A 68 -5.067 8.149 -6.904 1.00 45.24 C ATOM 1149 O LYS A 68 -6.175 8.274 -6.393 1.00 62.10 O ATOM 1150 CB LYS A 68 -3.058 9.340 -5.941 1.00 14.21 C ATOM 1151 CG LYS A 68 -1.973 9.408 -4.850 1.00 53.21 C ATOM 1152 CD LYS A 68 -1.334 10.812 -4.719 1.00 63.10 C ATOM 1153 CE LYS A 68 -0.674 11.298 -6.024 1.00 11.43 C ATOM 1154 NZ LYS A 68 -0.042 12.641 -5.868 1.00 62.43 N ATOM 0 H LYS A 68 -2.060 7.175 -6.821 1.00 55.44 H new ATOM 0 HA LYS A 68 -4.135 7.730 -4.993 1.00 34.21 H new ATOM 0 HB2 LYS A 68 -2.593 9.525 -6.909 1.00 14.21 H new ATOM 0 HB3 LYS A 68 -3.775 10.144 -5.773 1.00 14.21 H new ATOM 0 HG2 LYS A 68 -2.410 9.123 -3.893 1.00 53.21 H new ATOM 0 HG3 LYS A 68 -1.194 8.680 -5.074 1.00 53.21 H new ATOM 0 HD2 LYS A 68 -2.100 11.527 -4.418 1.00 63.10 H new ATOM 0 HD3 LYS A 68 -0.587 10.792 -3.926 1.00 63.10 H new ATOM 0 HE2 LYS A 68 0.081 10.577 -6.338 1.00 11.43 H new ATOM 0 HE3 LYS A 68 -1.423 11.340 -6.815 1.00 11.43 H new ATOM 0 HZ1 LYS A 68 0.389 12.928 -6.770 1.00 62.43 H new ATOM 0 HZ2 LYS A 68 -0.766 13.336 -5.594 1.00 62.43 H new ATOM 0 HZ3 LYS A 68 0.691 12.596 -5.132 1.00 62.43 H new ATOM 1168 N GLU A 69 -4.849 8.123 -8.240 1.00 21.44 N ATOM 1169 CA GLU A 69 -5.898 8.279 -9.250 1.00 22.33 C ATOM 1170 C GLU A 69 -7.003 7.236 -9.038 1.00 62.51 C ATOM 1171 O GLU A 69 -8.131 7.589 -8.714 1.00 64.43 O ATOM 1172 CB GLU A 69 -5.238 8.160 -10.657 1.00 52.31 C ATOM 1173 CG GLU A 69 -6.020 8.785 -11.825 1.00 23.13 C ATOM 1174 CD GLU A 69 -7.197 7.946 -12.376 1.00 21.32 C ATOM 1175 OE1 GLU A 69 -7.078 6.702 -12.448 1.00 44.42 O ATOM 1176 OE2 GLU A 69 -8.228 8.528 -12.783 1.00 21.03 O ATOM 0 H GLU A 69 -3.921 7.990 -8.643 1.00 21.44 H new ATOM 0 HA GLU A 69 -6.373 9.256 -9.165 1.00 22.33 H new ATOM 0 HB2 GLU A 69 -4.253 8.626 -10.615 1.00 52.31 H new ATOM 0 HB3 GLU A 69 -5.082 7.103 -10.875 1.00 52.31 H new ATOM 0 HG2 GLU A 69 -6.408 9.751 -11.502 1.00 23.13 H new ATOM 0 HG3 GLU A 69 -5.324 8.978 -12.641 1.00 23.13 H new ATOM 1183 N LEU A 70 -6.609 5.957 -9.111 1.00 0.30 N ATOM 1184 CA LEU A 70 -7.520 4.807 -9.016 1.00 31.34 C ATOM 1185 C LEU A 70 -8.285 4.808 -7.672 1.00 21.13 C ATOM 1186 O LEU A 70 -9.504 4.670 -7.669 1.00 30.24 O ATOM 1187 CB LEU A 70 -6.715 3.489 -9.222 1.00 43.33 C ATOM 1188 CG LEU A 70 -6.051 3.330 -10.634 1.00 20.20 C ATOM 1189 CD1 LEU A 70 -5.013 2.185 -10.664 1.00 61.42 C ATOM 1190 CD2 LEU A 70 -7.118 3.152 -11.738 1.00 51.12 C ATOM 0 H LEU A 70 -5.634 5.688 -9.240 1.00 0.30 H new ATOM 0 HA LEU A 70 -8.271 4.881 -9.803 1.00 31.34 H new ATOM 0 HB2 LEU A 70 -5.935 3.435 -8.463 1.00 43.33 H new ATOM 0 HB3 LEU A 70 -7.382 2.644 -9.054 1.00 43.33 H new ATOM 0 HG LEU A 70 -5.510 4.254 -10.838 1.00 20.20 H new ATOM 0 HD11 LEU A 70 -4.580 2.113 -11.662 1.00 61.42 H new ATOM 0 HD12 LEU A 70 -4.224 2.390 -9.940 1.00 61.42 H new ATOM 0 HD13 LEU A 70 -5.502 1.244 -10.412 1.00 61.42 H new ATOM 0 HD21 LEU A 70 -6.627 3.044 -12.705 1.00 51.12 H new ATOM 0 HD22 LEU A 70 -7.711 2.261 -11.531 1.00 51.12 H new ATOM 0 HD23 LEU A 70 -7.770 4.025 -11.758 1.00 51.12 H new ATOM 1202 N ALA A 71 -7.560 5.038 -6.555 1.00 34.34 N ATOM 1203 CA ALA A 71 -8.132 5.043 -5.185 1.00 40.02 C ATOM 1204 C ALA A 71 -9.180 6.157 -4.979 1.00 63.13 C ATOM 1205 O ALA A 71 -10.225 5.924 -4.358 1.00 43.23 O ATOM 1206 CB ALA A 71 -7.007 5.183 -4.153 1.00 65.05 C ATOM 0 H ALA A 71 -6.558 5.226 -6.576 1.00 34.34 H new ATOM 0 HA ALA A 71 -8.648 4.093 -5.049 1.00 40.02 H new ATOM 0 HB1 ALA A 71 -7.432 5.186 -3.149 1.00 65.05 H new ATOM 0 HB2 ALA A 71 -6.316 4.346 -4.252 1.00 65.05 H new ATOM 0 HB3 ALA A 71 -6.471 6.117 -4.323 1.00 65.05 H new ATOM 1212 N GLN A 72 -8.883 7.358 -5.506 1.00 72.30 N ATOM 1213 CA GLN A 72 -9.775 8.530 -5.393 1.00 11.45 C ATOM 1214 C GLN A 72 -11.012 8.373 -6.298 1.00 55.23 C ATOM 1215 O GLN A 72 -12.104 8.822 -5.943 1.00 31.20 O ATOM 1216 CB GLN A 72 -9.002 9.842 -5.709 1.00 0.02 C ATOM 1217 CG GLN A 72 -7.924 10.185 -4.665 1.00 61.20 C ATOM 1218 CD GLN A 72 -7.203 11.508 -4.933 1.00 14.41 C ATOM 1219 OE1 GLN A 72 -7.628 12.567 -4.466 1.00 71.25 O ATOM 1220 NE2 GLN A 72 -6.123 11.463 -5.698 1.00 70.02 N ATOM 0 H GLN A 72 -8.022 7.545 -6.020 1.00 72.30 H new ATOM 0 HA GLN A 72 -10.129 8.591 -4.364 1.00 11.45 H new ATOM 0 HB2 GLN A 72 -8.532 9.751 -6.688 1.00 0.02 H new ATOM 0 HB3 GLN A 72 -9.712 10.667 -5.771 1.00 0.02 H new ATOM 0 HG2 GLN A 72 -8.387 10.228 -3.679 1.00 61.20 H new ATOM 0 HG3 GLN A 72 -7.189 9.381 -4.638 1.00 61.20 H new ATOM 0 HE21 GLN A 72 -5.797 10.570 -6.069 1.00 70.02 H new ATOM 0 HE22 GLN A 72 -5.617 12.321 -5.916 1.00 70.02 H new ATOM 1229 N LYS A 73 -10.835 7.706 -7.446 1.00 25.40 N ATOM 1230 CA LYS A 73 -11.942 7.377 -8.375 1.00 13.42 C ATOM 1231 C LYS A 73 -12.828 6.250 -7.803 1.00 51.24 C ATOM 1232 O LYS A 73 -14.024 6.183 -8.099 1.00 74.25 O ATOM 1233 CB LYS A 73 -11.354 6.991 -9.750 1.00 55.52 C ATOM 1234 CG LYS A 73 -10.559 8.130 -10.427 1.00 34.31 C ATOM 1235 CD LYS A 73 -11.442 9.250 -11.017 1.00 43.25 C ATOM 1236 CE LYS A 73 -12.189 8.778 -12.267 1.00 72.50 C ATOM 1237 NZ LYS A 73 -11.257 8.277 -13.318 1.00 71.41 N ATOM 0 H LYS A 73 -9.924 7.376 -7.763 1.00 25.40 H new ATOM 0 HA LYS A 73 -12.581 8.252 -8.499 1.00 13.42 H new ATOM 0 HB2 LYS A 73 -10.701 6.127 -9.626 1.00 55.52 H new ATOM 0 HB3 LYS A 73 -12.166 6.685 -10.410 1.00 55.52 H new ATOM 0 HG2 LYS A 73 -9.877 8.566 -9.697 1.00 34.31 H new ATOM 0 HG3 LYS A 73 -9.946 7.708 -11.223 1.00 34.31 H new ATOM 0 HD2 LYS A 73 -12.160 9.582 -10.267 1.00 43.25 H new ATOM 0 HD3 LYS A 73 -10.821 10.110 -11.266 1.00 43.25 H new ATOM 0 HE2 LYS A 73 -12.888 7.987 -11.995 1.00 72.50 H new ATOM 0 HE3 LYS A 73 -12.780 9.601 -12.669 1.00 72.50 H new ATOM 0 HZ1 LYS A 73 -11.516 8.689 -14.237 1.00 71.41 H new ATOM 0 HZ2 LYS A 73 -10.283 8.552 -13.078 1.00 71.41 H new ATOM 0 HZ3 LYS A 73 -11.321 7.240 -13.373 1.00 71.41 H new ATOM 1251 N MET A 74 -12.221 5.372 -6.977 1.00 14.03 N ATOM 1252 CA MET A 74 -12.961 4.377 -6.163 1.00 61.12 C ATOM 1253 C MET A 74 -13.615 5.066 -4.946 1.00 12.31 C ATOM 1254 O MET A 74 -14.480 4.476 -4.288 1.00 32.13 O ATOM 1255 CB MET A 74 -12.022 3.252 -5.645 1.00 61.14 C ATOM 1256 CG MET A 74 -11.344 2.391 -6.706 1.00 22.11 C ATOM 1257 SD MET A 74 -12.478 1.372 -7.663 1.00 43.34 S ATOM 1258 CE MET A 74 -11.316 0.281 -8.496 1.00 70.23 C ATOM 0 H MET A 74 -11.209 5.330 -6.854 1.00 14.03 H new ATOM 0 HA MET A 74 -13.723 3.936 -6.805 1.00 61.12 H new ATOM 0 HB2 MET A 74 -11.247 3.710 -5.031 1.00 61.14 H new ATOM 0 HB3 MET A 74 -12.601 2.598 -4.993 1.00 61.14 H new ATOM 0 HG2 MET A 74 -10.793 3.040 -7.387 1.00 22.11 H new ATOM 0 HG3 MET A 74 -10.613 1.744 -6.221 1.00 22.11 H new ATOM 0 HE1 MET A 74 -11.782 -0.132 -9.391 1.00 70.23 H new ATOM 0 HE2 MET A 74 -10.426 0.844 -8.777 1.00 70.23 H new ATOM 0 HE3 MET A 74 -11.035 -0.531 -7.826 1.00 70.23 H new ATOM 1268 N GLU A 75 -13.160 6.318 -4.667 1.00 32.20 N ATOM 1269 CA GLU A 75 -13.659 7.169 -3.565 1.00 74.24 C ATOM 1270 C GLU A 75 -13.431 6.510 -2.177 1.00 65.22 C ATOM 1271 O GLU A 75 -14.155 6.785 -1.222 1.00 2.03 O ATOM 1272 CB GLU A 75 -15.156 7.530 -3.835 1.00 12.52 C ATOM 1273 CG GLU A 75 -15.402 8.169 -5.227 1.00 51.12 C ATOM 1274 CD GLU A 75 -16.888 8.379 -5.574 1.00 63.21 C ATOM 1275 OE1 GLU A 75 -17.591 7.381 -5.843 1.00 25.51 O ATOM 1276 OE2 GLU A 75 -17.359 9.533 -5.607 1.00 33.24 O ATOM 0 H GLU A 75 -12.425 6.766 -5.214 1.00 32.20 H new ATOM 0 HA GLU A 75 -13.088 8.097 -3.536 1.00 74.24 H new ATOM 0 HB2 GLU A 75 -15.760 6.627 -3.748 1.00 12.52 H new ATOM 0 HB3 GLU A 75 -15.499 8.219 -3.063 1.00 12.52 H new ATOM 0 HG2 GLU A 75 -14.892 9.131 -5.267 1.00 51.12 H new ATOM 0 HG3 GLU A 75 -14.949 7.536 -5.990 1.00 51.12 H new ATOM 1283 N ILE A 76 -12.381 5.663 -2.087 1.00 5.44 N ATOM 1284 CA ILE A 76 -11.999 4.945 -0.846 1.00 24.43 C ATOM 1285 C ILE A 76 -10.925 5.767 -0.072 1.00 62.25 C ATOM 1286 O ILE A 76 -10.092 6.444 -0.692 1.00 45.51 O ATOM 1287 CB ILE A 76 -11.481 3.479 -1.179 1.00 64.12 C ATOM 1288 CG1 ILE A 76 -12.515 2.713 -2.064 1.00 75.41 C ATOM 1289 CG2 ILE A 76 -11.197 2.662 0.105 1.00 61.44 C ATOM 1290 CD1 ILE A 76 -12.095 1.308 -2.474 1.00 44.35 C ATOM 0 H ILE A 76 -11.770 5.456 -2.877 1.00 5.44 H new ATOM 0 HA ILE A 76 -12.878 4.841 -0.209 1.00 24.43 H new ATOM 0 HB ILE A 76 -10.546 3.591 -1.728 1.00 64.12 H new ATOM 0 HG12 ILE A 76 -13.459 2.650 -1.522 1.00 75.41 H new ATOM 0 HG13 ILE A 76 -12.703 3.297 -2.965 1.00 75.41 H new ATOM 0 HG21 ILE A 76 -10.845 1.667 -0.167 1.00 61.44 H new ATOM 0 HG22 ILE A 76 -10.434 3.167 0.696 1.00 61.44 H new ATOM 0 HG23 ILE A 76 -12.112 2.576 0.691 1.00 61.44 H new ATOM 0 HD11 ILE A 76 -12.877 0.858 -3.085 1.00 44.35 H new ATOM 0 HD12 ILE A 76 -11.170 1.358 -3.048 1.00 44.35 H new ATOM 0 HD13 ILE A 76 -11.937 0.701 -1.583 1.00 44.35 H new ATOM 1302 N ASP A 77 -10.967 5.712 1.279 1.00 2.13 N ATOM 1303 CA ASP A 77 -10.097 6.524 2.165 1.00 3.33 C ATOM 1304 C ASP A 77 -8.663 5.931 2.234 1.00 23.24 C ATOM 1305 O ASP A 77 -8.398 4.985 2.992 1.00 33.24 O ATOM 1306 CB ASP A 77 -10.737 6.603 3.580 1.00 11.15 C ATOM 1307 CG ASP A 77 -9.970 7.511 4.558 1.00 1.20 C ATOM 1308 OD1 ASP A 77 -9.757 8.699 4.226 1.00 61.13 O ATOM 1309 OD2 ASP A 77 -9.571 7.053 5.656 1.00 32.42 O ATOM 0 H ASP A 77 -11.607 5.102 1.788 1.00 2.13 H new ATOM 0 HA ASP A 77 -10.011 7.531 1.756 1.00 3.33 H new ATOM 0 HB2 ASP A 77 -11.760 6.968 3.486 1.00 11.15 H new ATOM 0 HB3 ASP A 77 -10.794 5.599 4.000 1.00 11.15 H new ATOM 1314 N VAL A 78 -7.744 6.485 1.415 1.00 42.25 N ATOM 1315 CA VAL A 78 -6.390 5.911 1.198 1.00 5.33 C ATOM 1316 C VAL A 78 -5.280 6.977 1.393 1.00 22.22 C ATOM 1317 O VAL A 78 -5.486 8.160 1.109 1.00 3.44 O ATOM 1318 CB VAL A 78 -6.279 5.275 -0.252 1.00 34.14 C ATOM 1319 CG1 VAL A 78 -4.887 4.652 -0.516 1.00 73.20 C ATOM 1320 CG2 VAL A 78 -7.396 4.227 -0.493 1.00 34.24 C ATOM 0 H VAL A 78 -7.914 7.340 0.885 1.00 42.25 H new ATOM 0 HA VAL A 78 -6.244 5.130 1.944 1.00 5.33 H new ATOM 0 HB VAL A 78 -6.411 6.093 -0.961 1.00 34.14 H new ATOM 0 HG11 VAL A 78 -4.862 4.230 -1.521 1.00 73.20 H new ATOM 0 HG12 VAL A 78 -4.121 5.422 -0.426 1.00 73.20 H new ATOM 0 HG13 VAL A 78 -4.697 3.864 0.213 1.00 73.20 H new ATOM 0 HG21 VAL A 78 -7.293 3.809 -1.495 1.00 34.24 H new ATOM 0 HG22 VAL A 78 -7.311 3.428 0.244 1.00 34.24 H new ATOM 0 HG23 VAL A 78 -8.371 4.706 -0.398 1.00 34.24 H new ATOM 1330 N ARG A 79 -4.117 6.524 1.906 1.00 62.03 N ATOM 1331 CA ARG A 79 -2.860 7.295 1.953 1.00 44.13 C ATOM 1332 C ARG A 79 -1.884 6.620 0.979 1.00 40.31 C ATOM 1333 O ARG A 79 -1.668 5.417 1.076 1.00 53.25 O ATOM 1334 CB ARG A 79 -2.208 7.308 3.376 1.00 4.22 C ATOM 1335 CG ARG A 79 -2.979 8.069 4.482 1.00 22.22 C ATOM 1336 CD ARG A 79 -4.176 7.288 5.057 1.00 32.02 C ATOM 1337 NE ARG A 79 -4.888 8.067 6.089 1.00 5.24 N ATOM 1338 CZ ARG A 79 -6.167 8.479 6.004 1.00 55.13 C ATOM 1339 NH1 ARG A 79 -6.898 8.196 4.935 1.00 71.04 N ATOM 1340 NH2 ARG A 79 -6.709 9.165 7.001 1.00 22.11 N ATOM 0 H ARG A 79 -4.025 5.591 2.308 1.00 62.03 H new ATOM 0 HA ARG A 79 -3.077 8.330 1.690 1.00 44.13 H new ATOM 0 HB2 ARG A 79 -2.076 6.276 3.700 1.00 4.22 H new ATOM 0 HB3 ARG A 79 -1.213 7.745 3.291 1.00 4.22 H new ATOM 0 HG2 ARG A 79 -2.291 8.308 5.292 1.00 22.22 H new ATOM 0 HG3 ARG A 79 -3.336 9.016 4.077 1.00 22.22 H new ATOM 0 HD2 ARG A 79 -4.866 7.034 4.252 1.00 32.02 H new ATOM 0 HD3 ARG A 79 -3.826 6.349 5.486 1.00 32.02 H new ATOM 0 HE ARG A 79 -4.370 8.312 6.933 1.00 5.24 H new ATOM 0 HH11 ARG A 79 -6.492 7.661 4.167 1.00 71.04 H new ATOM 0 HH12 ARG A 79 -7.866 8.513 4.881 1.00 71.04 H new ATOM 0 HH21 ARG A 79 -6.157 9.380 7.831 1.00 22.11 H new ATOM 0 HH22 ARG A 79 -7.678 9.478 6.938 1.00 22.11 H new ATOM 1354 N THR A 80 -1.306 7.386 0.054 1.00 61.33 N ATOM 1355 CA THR A 80 -0.321 6.870 -0.911 1.00 11.32 C ATOM 1356 C THR A 80 1.012 7.624 -0.723 1.00 13.33 C ATOM 1357 O THR A 80 1.037 8.860 -0.727 1.00 34.03 O ATOM 1358 CB THR A 80 -0.838 7.012 -2.379 1.00 4.14 C ATOM 1359 OG1 THR A 80 -2.176 6.489 -2.462 1.00 24.25 O ATOM 1360 CG2 THR A 80 0.061 6.269 -3.392 1.00 34.33 C ATOM 0 H THR A 80 -1.503 8.381 -0.052 1.00 61.33 H new ATOM 0 HA THR A 80 -0.166 5.807 -0.726 1.00 11.32 H new ATOM 0 HB THR A 80 -0.819 8.071 -2.635 1.00 4.14 H new ATOM 0 HG1 THR A 80 -2.505 6.577 -3.381 1.00 24.25 H new ATOM 0 HG21 THR A 80 -0.340 6.398 -4.397 1.00 34.33 H new ATOM 0 HG22 THR A 80 1.071 6.677 -3.349 1.00 34.33 H new ATOM 0 HG23 THR A 80 0.087 5.208 -3.145 1.00 34.33 H new ATOM 1368 N ARG A 81 2.100 6.865 -0.525 1.00 33.22 N ATOM 1369 CA ARG A 81 3.457 7.394 -0.293 1.00 11.33 C ATOM 1370 C ARG A 81 4.422 6.736 -1.283 1.00 74.54 C ATOM 1371 O ARG A 81 4.348 5.523 -1.505 1.00 32.12 O ATOM 1372 CB ARG A 81 3.909 7.095 1.169 1.00 4.23 C ATOM 1373 CG ARG A 81 3.155 7.892 2.257 1.00 3.13 C ATOM 1374 CD ARG A 81 3.453 9.403 2.195 1.00 13.31 C ATOM 1375 NE ARG A 81 2.758 10.158 3.249 1.00 73.21 N ATOM 1376 CZ ARG A 81 3.062 11.413 3.629 1.00 33.02 C ATOM 1377 NH1 ARG A 81 4.053 12.085 3.051 1.00 53.53 N ATOM 1378 NH2 ARG A 81 2.374 11.984 4.605 1.00 50.33 N ATOM 0 H ARG A 81 2.063 5.846 -0.521 1.00 33.22 H new ATOM 0 HA ARG A 81 3.457 8.474 -0.440 1.00 11.33 H new ATOM 0 HB2 ARG A 81 3.780 6.030 1.364 1.00 4.23 H new ATOM 0 HB3 ARG A 81 4.974 7.308 1.256 1.00 4.23 H new ATOM 0 HG2 ARG A 81 2.083 7.731 2.143 1.00 3.13 H new ATOM 0 HG3 ARG A 81 3.432 7.510 3.240 1.00 3.13 H new ATOM 0 HD2 ARG A 81 4.527 9.562 2.287 1.00 13.31 H new ATOM 0 HD3 ARG A 81 3.156 9.789 1.220 1.00 13.31 H new ATOM 0 HE ARG A 81 1.986 9.695 3.729 1.00 73.21 H new ATOM 0 HH11 ARG A 81 4.598 11.650 2.306 1.00 53.53 H new ATOM 0 HH12 ARG A 81 4.269 13.035 3.352 1.00 53.53 H new ATOM 0 HH21 ARG A 81 1.619 11.473 5.064 1.00 50.33 H new ATOM 0 HH22 ARG A 81 2.598 12.935 4.899 1.00 50.33 H new ATOM 1392 N LYS A 82 5.319 7.538 -1.877 1.00 72.11 N ATOM 1393 CA LYS A 82 6.356 7.032 -2.776 1.00 74.13 C ATOM 1394 C LYS A 82 7.633 6.761 -1.980 1.00 62.42 C ATOM 1395 O LYS A 82 8.228 7.684 -1.416 1.00 55.45 O ATOM 1396 CB LYS A 82 6.672 8.023 -3.923 1.00 14.22 C ATOM 1397 CG LYS A 82 7.607 7.405 -4.986 1.00 65.32 C ATOM 1398 CD LYS A 82 8.229 8.436 -5.939 1.00 34.34 C ATOM 1399 CE LYS A 82 9.291 9.316 -5.266 1.00 4.02 C ATOM 1400 NZ LYS A 82 9.899 10.267 -6.234 1.00 41.23 N ATOM 0 H LYS A 82 5.342 8.549 -1.746 1.00 72.11 H new ATOM 0 HA LYS A 82 5.980 6.112 -3.225 1.00 74.13 H new ATOM 0 HB2 LYS A 82 5.742 8.336 -4.397 1.00 14.22 H new ATOM 0 HB3 LYS A 82 7.136 8.919 -3.510 1.00 14.22 H new ATOM 0 HG2 LYS A 82 8.406 6.862 -4.482 1.00 65.32 H new ATOM 0 HG3 LYS A 82 7.046 6.676 -5.570 1.00 65.32 H new ATOM 0 HD2 LYS A 82 8.680 7.915 -6.784 1.00 34.34 H new ATOM 0 HD3 LYS A 82 7.440 9.072 -6.341 1.00 34.34 H new ATOM 0 HE2 LYS A 82 8.839 9.871 -4.444 1.00 4.02 H new ATOM 0 HE3 LYS A 82 10.069 8.685 -4.835 1.00 4.02 H new ATOM 0 HZ1 LYS A 82 10.924 10.325 -6.067 1.00 41.23 H new ATOM 0 HZ2 LYS A 82 9.724 9.934 -7.204 1.00 41.23 H new ATOM 0 HZ3 LYS A 82 9.475 11.208 -6.109 1.00 41.23 H new ATOM 1414 N VAL A 83 8.037 5.494 -1.941 1.00 60.20 N ATOM 1415 CA VAL A 83 9.261 5.046 -1.275 1.00 64.31 C ATOM 1416 C VAL A 83 10.320 4.635 -2.332 1.00 61.03 C ATOM 1417 O VAL A 83 10.004 3.982 -3.334 1.00 34.12 O ATOM 1418 CB VAL A 83 8.925 3.865 -0.281 1.00 43.31 C ATOM 1419 CG1 VAL A 83 7.858 4.325 0.749 1.00 1.43 C ATOM 1420 CG2 VAL A 83 8.453 2.583 -1.019 1.00 52.33 C ATOM 0 H VAL A 83 7.515 4.735 -2.379 1.00 60.20 H new ATOM 0 HA VAL A 83 9.684 5.862 -0.689 1.00 64.31 H new ATOM 0 HB VAL A 83 9.846 3.607 0.241 1.00 43.31 H new ATOM 0 HG11 VAL A 83 7.632 3.505 1.430 1.00 1.43 H new ATOM 0 HG12 VAL A 83 8.242 5.173 1.317 1.00 1.43 H new ATOM 0 HG13 VAL A 83 6.950 4.621 0.224 1.00 1.43 H new ATOM 0 HG21 VAL A 83 8.235 1.803 -0.290 1.00 52.33 H new ATOM 0 HG22 VAL A 83 7.553 2.804 -1.593 1.00 52.33 H new ATOM 0 HG23 VAL A 83 9.239 2.241 -1.693 1.00 52.33 H new ATOM 1430 N THR A 84 11.565 5.090 -2.127 1.00 13.05 N ATOM 1431 CA THR A 84 12.726 4.703 -2.949 1.00 45.54 C ATOM 1432 C THR A 84 13.694 3.847 -2.107 1.00 10.30 C ATOM 1433 O THR A 84 14.517 3.104 -2.649 1.00 24.30 O ATOM 1434 CB THR A 84 13.471 5.964 -3.515 1.00 42.13 C ATOM 1435 OG1 THR A 84 13.880 6.830 -2.433 1.00 70.13 O ATOM 1436 CG2 THR A 84 12.605 6.768 -4.506 1.00 31.31 C ATOM 0 H THR A 84 11.799 5.743 -1.379 1.00 13.05 H new ATOM 0 HA THR A 84 12.367 4.120 -3.797 1.00 45.54 H new ATOM 0 HB THR A 84 14.343 5.596 -4.056 1.00 42.13 H new ATOM 0 HG1 THR A 84 13.502 6.502 -1.591 1.00 70.13 H new ATOM 0 HG21 THR A 84 13.168 7.629 -4.866 1.00 31.31 H new ATOM 0 HG22 THR A 84 12.333 6.133 -5.349 1.00 31.31 H new ATOM 0 HG23 THR A 84 11.701 7.111 -4.004 1.00 31.31 H new ATOM 1444 N SER A 85 13.572 3.964 -0.770 1.00 62.14 N ATOM 1445 CA SER A 85 14.393 3.231 0.207 1.00 51.23 C ATOM 1446 C SER A 85 13.463 2.319 1.045 1.00 74.43 C ATOM 1447 O SER A 85 12.343 2.740 1.377 1.00 21.01 O ATOM 1448 CB SER A 85 15.120 4.238 1.138 1.00 21.13 C ATOM 1449 OG SER A 85 15.757 5.261 0.390 1.00 54.04 O ATOM 0 H SER A 85 12.888 4.582 -0.334 1.00 62.14 H new ATOM 0 HA SER A 85 15.140 2.627 -0.309 1.00 51.23 H new ATOM 0 HB2 SER A 85 14.403 4.682 1.829 1.00 21.13 H new ATOM 0 HB3 SER A 85 15.859 3.711 1.741 1.00 21.13 H new ATOM 0 HG SER A 85 16.206 5.882 1.001 1.00 54.04 H new ATOM 1455 N PRO A 86 13.895 1.064 1.405 1.00 41.22 N ATOM 1456 CA PRO A 86 13.107 0.160 2.291 1.00 64.21 C ATOM 1457 C PRO A 86 12.771 0.808 3.653 1.00 14.02 C ATOM 1458 O PRO A 86 11.694 0.579 4.192 1.00 64.54 O ATOM 1459 CB PRO A 86 14.015 -1.088 2.448 1.00 41.22 C ATOM 1460 CG PRO A 86 14.897 -1.055 1.236 1.00 34.43 C ATOM 1461 CD PRO A 86 15.157 0.414 0.965 1.00 64.15 C ATOM 0 HA PRO A 86 12.132 -0.081 1.868 1.00 64.21 H new ATOM 0 HB2 PRO A 86 14.599 -1.043 3.367 1.00 41.22 H new ATOM 0 HB3 PRO A 86 13.428 -2.005 2.489 1.00 41.22 H new ATOM 0 HG2 PRO A 86 15.829 -1.592 1.414 1.00 34.43 H new ATOM 0 HG3 PRO A 86 14.412 -1.531 0.384 1.00 34.43 H new ATOM 0 HD2 PRO A 86 16.017 0.782 1.525 1.00 64.15 H new ATOM 0 HD3 PRO A 86 15.360 0.600 -0.090 1.00 64.15 H new ATOM 1469 N ASP A 87 13.699 1.659 4.149 1.00 51.32 N ATOM 1470 CA ASP A 87 13.558 2.423 5.423 1.00 65.33 C ATOM 1471 C ASP A 87 12.240 3.222 5.476 1.00 72.35 C ATOM 1472 O ASP A 87 11.538 3.232 6.499 1.00 5.22 O ATOM 1473 CB ASP A 87 14.739 3.419 5.587 1.00 55.44 C ATOM 1474 CG ASP A 87 16.106 2.741 5.491 1.00 34.13 C ATOM 1475 OD1 ASP A 87 16.621 2.604 4.361 1.00 45.15 O ATOM 1476 OD2 ASP A 87 16.664 2.329 6.530 1.00 35.42 O ATOM 0 H ASP A 87 14.582 1.841 3.672 1.00 51.32 H new ATOM 0 HA ASP A 87 13.558 1.691 6.231 1.00 65.33 H new ATOM 0 HB2 ASP A 87 14.667 4.190 4.820 1.00 55.44 H new ATOM 0 HB3 ASP A 87 14.654 3.920 6.551 1.00 55.44 H new ATOM 1481 N GLU A 88 11.928 3.880 4.344 1.00 10.33 N ATOM 1482 CA GLU A 88 10.713 4.698 4.175 1.00 43.10 C ATOM 1483 C GLU A 88 9.457 3.816 4.251 1.00 74.55 C ATOM 1484 O GLU A 88 8.544 4.100 5.032 1.00 14.13 O ATOM 1485 CB GLU A 88 10.762 5.463 2.823 1.00 14.10 C ATOM 1486 CG GLU A 88 11.986 6.372 2.649 1.00 61.02 C ATOM 1487 CD GLU A 88 12.012 7.071 1.284 1.00 44.12 C ATOM 1488 OE1 GLU A 88 11.399 8.145 1.140 1.00 5.43 O ATOM 1489 OE2 GLU A 88 12.618 6.531 0.338 1.00 50.55 O ATOM 0 H GLU A 88 12.519 3.858 3.513 1.00 10.33 H new ATOM 0 HA GLU A 88 10.669 5.427 4.984 1.00 43.10 H new ATOM 0 HB2 GLU A 88 10.745 4.738 2.009 1.00 14.10 H new ATOM 0 HB3 GLU A 88 9.860 6.068 2.730 1.00 14.10 H new ATOM 0 HG2 GLU A 88 11.991 7.124 3.438 1.00 61.02 H new ATOM 0 HG3 GLU A 88 12.893 5.780 2.767 1.00 61.02 H new ATOM 1496 N ALA A 89 9.482 2.698 3.490 1.00 63.01 N ATOM 1497 CA ALA A 89 8.333 1.779 3.347 1.00 44.15 C ATOM 1498 C ALA A 89 7.947 1.167 4.699 1.00 11.43 C ATOM 1499 O ALA A 89 6.769 1.143 5.070 1.00 71.04 O ATOM 1500 CB ALA A 89 8.654 0.669 2.329 1.00 70.12 C ATOM 0 H ALA A 89 10.302 2.408 2.957 1.00 63.01 H new ATOM 0 HA ALA A 89 7.484 2.355 2.980 1.00 44.15 H new ATOM 0 HB1 ALA A 89 7.797 0.002 2.236 1.00 70.12 H new ATOM 0 HB2 ALA A 89 8.872 1.117 1.359 1.00 70.12 H new ATOM 0 HB3 ALA A 89 9.520 0.102 2.670 1.00 70.12 H new ATOM 1506 N LYS A 90 8.977 0.728 5.440 1.00 55.44 N ATOM 1507 CA LYS A 90 8.829 0.097 6.755 1.00 22.45 C ATOM 1508 C LYS A 90 8.320 1.100 7.797 1.00 24.23 C ATOM 1509 O LYS A 90 7.485 0.745 8.639 1.00 74.33 O ATOM 1510 CB LYS A 90 10.195 -0.470 7.205 1.00 71.23 C ATOM 1511 CG LYS A 90 10.776 -1.554 6.274 1.00 53.11 C ATOM 1512 CD LYS A 90 12.249 -1.896 6.604 1.00 43.01 C ATOM 1513 CE LYS A 90 12.441 -2.485 8.010 1.00 52.35 C ATOM 1514 NZ LYS A 90 13.851 -2.893 8.251 1.00 4.43 N ATOM 0 H LYS A 90 9.948 0.804 5.136 1.00 55.44 H new ATOM 0 HA LYS A 90 8.098 -0.707 6.672 1.00 22.45 H new ATOM 0 HB2 LYS A 90 10.909 0.351 7.276 1.00 71.23 H new ATOM 0 HB3 LYS A 90 10.089 -0.888 8.206 1.00 71.23 H new ATOM 0 HG2 LYS A 90 10.171 -2.457 6.353 1.00 53.11 H new ATOM 0 HG3 LYS A 90 10.709 -1.214 5.241 1.00 53.11 H new ATOM 0 HD2 LYS A 90 12.623 -2.607 5.867 1.00 43.01 H new ATOM 0 HD3 LYS A 90 12.853 -0.993 6.511 1.00 43.01 H new ATOM 0 HE2 LYS A 90 12.143 -1.748 8.756 1.00 52.35 H new ATOM 0 HE3 LYS A 90 11.787 -3.348 8.135 1.00 52.35 H new ATOM 0 HZ1 LYS A 90 13.936 -3.301 9.204 1.00 4.43 H new ATOM 0 HZ2 LYS A 90 14.133 -3.602 7.544 1.00 4.43 H new ATOM 0 HZ3 LYS A 90 14.471 -2.062 8.174 1.00 4.43 H new ATOM 1528 N ARG A 91 8.853 2.349 7.736 1.00 33.11 N ATOM 1529 CA ARG A 91 8.470 3.412 8.673 1.00 62.30 C ATOM 1530 C ARG A 91 6.968 3.688 8.586 1.00 51.52 C ATOM 1531 O ARG A 91 6.292 3.627 9.595 1.00 12.12 O ATOM 1532 CB ARG A 91 9.250 4.736 8.430 1.00 40.45 C ATOM 1533 CG ARG A 91 8.895 5.852 9.448 1.00 1.32 C ATOM 1534 CD ARG A 91 9.569 7.199 9.161 1.00 71.54 C ATOM 1535 NE ARG A 91 9.203 8.213 10.177 1.00 71.23 N ATOM 1536 CZ ARG A 91 10.055 9.051 10.796 1.00 22.01 C ATOM 1537 NH1 ARG A 91 11.362 9.037 10.520 1.00 52.00 N ATOM 1538 NH2 ARG A 91 9.581 9.911 11.690 1.00 5.01 N ATOM 0 H ARG A 91 9.547 2.633 7.045 1.00 33.11 H new ATOM 0 HA ARG A 91 8.727 3.052 9.669 1.00 62.30 H new ATOM 0 HB2 ARG A 91 10.320 4.534 8.481 1.00 40.45 H new ATOM 0 HB3 ARG A 91 9.041 5.093 7.422 1.00 40.45 H new ATOM 0 HG2 ARG A 91 7.814 5.993 9.454 1.00 1.32 H new ATOM 0 HG3 ARG A 91 9.179 5.521 10.447 1.00 1.32 H new ATOM 0 HD2 ARG A 91 10.651 7.070 9.146 1.00 71.54 H new ATOM 0 HD3 ARG A 91 9.276 7.551 8.172 1.00 71.54 H new ATOM 0 HE ARG A 91 8.217 8.282 10.430 1.00 71.23 H new ATOM 0 HH11 ARG A 91 11.730 8.383 9.829 1.00 52.00 H new ATOM 0 HH12 ARG A 91 11.992 9.680 11.000 1.00 52.00 H new ATOM 0 HH21 ARG A 91 8.583 9.930 11.900 1.00 5.01 H new ATOM 0 HH22 ARG A 91 10.215 10.552 12.167 1.00 5.01 H new ATOM 1552 N TRP A 92 6.453 3.948 7.363 1.00 44.24 N ATOM 1553 CA TRP A 92 5.029 4.290 7.148 1.00 61.44 C ATOM 1554 C TRP A 92 4.062 3.215 7.683 1.00 0.41 C ATOM 1555 O TRP A 92 2.956 3.546 8.090 1.00 70.42 O ATOM 1556 CB TRP A 92 4.739 4.554 5.650 1.00 45.24 C ATOM 1557 CG TRP A 92 5.440 5.769 5.076 1.00 72.13 C ATOM 1558 CD1 TRP A 92 6.284 5.797 4.005 1.00 4.24 C ATOM 1559 CD2 TRP A 92 5.342 7.133 5.536 1.00 50.24 C ATOM 1560 NE1 TRP A 92 6.732 7.071 3.785 1.00 42.22 N ATOM 1561 CE2 TRP A 92 6.167 7.909 4.704 1.00 41.13 C ATOM 1562 CE3 TRP A 92 4.647 7.771 6.570 1.00 21.42 C ATOM 1563 CZ2 TRP A 92 6.313 9.282 4.867 1.00 0.24 C ATOM 1564 CZ3 TRP A 92 4.788 9.136 6.731 1.00 12.20 C ATOM 1565 CH2 TRP A 92 5.619 9.879 5.883 1.00 14.33 C ATOM 0 H TRP A 92 7.006 3.927 6.506 1.00 44.24 H new ATOM 0 HA TRP A 92 4.852 5.201 7.719 1.00 61.44 H new ATOM 0 HB2 TRP A 92 5.034 3.676 5.076 1.00 45.24 H new ATOM 0 HB3 TRP A 92 3.664 4.675 5.517 1.00 45.24 H new ATOM 0 HD1 TRP A 92 6.560 4.936 3.414 1.00 4.24 H new ATOM 0 HE1 TRP A 92 7.384 7.350 3.052 1.00 42.22 H new ATOM 0 HE3 TRP A 92 4.010 7.204 7.233 1.00 21.42 H new ATOM 0 HZ2 TRP A 92 6.952 9.857 4.214 1.00 0.24 H new ATOM 0 HZ3 TRP A 92 4.250 9.637 7.522 1.00 12.20 H new ATOM 0 HH2 TRP A 92 5.714 10.944 6.034 1.00 14.33 H new ATOM 1576 N ILE A 93 4.499 1.943 7.679 1.00 21.21 N ATOM 1577 CA ILE A 93 3.692 0.805 8.169 1.00 73.11 C ATOM 1578 C ILE A 93 3.668 0.803 9.717 1.00 1.34 C ATOM 1579 O ILE A 93 2.595 0.706 10.335 1.00 62.45 O ATOM 1580 CB ILE A 93 4.266 -0.542 7.603 1.00 3.22 C ATOM 1581 CG1 ILE A 93 4.156 -0.552 6.047 1.00 44.53 C ATOM 1582 CG2 ILE A 93 3.570 -1.778 8.223 1.00 64.02 C ATOM 1583 CD1 ILE A 93 4.824 -1.735 5.379 1.00 0.11 C ATOM 0 H ILE A 93 5.421 1.672 7.337 1.00 21.21 H new ATOM 0 HA ILE A 93 2.666 0.908 7.816 1.00 73.11 H new ATOM 0 HB ILE A 93 5.317 -0.605 7.884 1.00 3.22 H new ATOM 0 HG12 ILE A 93 3.102 -0.542 5.770 1.00 44.53 H new ATOM 0 HG13 ILE A 93 4.597 0.366 5.658 1.00 44.53 H new ATOM 0 HG21 ILE A 93 4.000 -2.687 7.802 1.00 64.02 H new ATOM 0 HG22 ILE A 93 3.716 -1.774 9.303 1.00 64.02 H new ATOM 0 HG23 ILE A 93 2.503 -1.744 8.001 1.00 64.02 H new ATOM 0 HD11 ILE A 93 4.699 -1.661 4.299 1.00 0.11 H new ATOM 0 HD12 ILE A 93 5.887 -1.738 5.622 1.00 0.11 H new ATOM 0 HD13 ILE A 93 4.368 -2.659 5.735 1.00 0.11 H new ATOM 1595 N LYS A 94 4.880 0.924 10.314 1.00 60.25 N ATOM 1596 CA LYS A 94 5.092 1.139 11.765 1.00 34.04 C ATOM 1597 C LYS A 94 4.227 2.298 12.295 1.00 24.22 C ATOM 1598 O LYS A 94 3.596 2.178 13.346 1.00 11.52 O ATOM 1599 CB LYS A 94 6.601 1.445 11.999 1.00 12.40 C ATOM 1600 CG LYS A 94 6.976 1.929 13.417 1.00 62.32 C ATOM 1601 CD LYS A 94 8.472 2.308 13.532 1.00 75.54 C ATOM 1602 CE LYS A 94 8.805 3.011 14.855 1.00 64.14 C ATOM 1603 NZ LYS A 94 8.103 4.316 14.993 1.00 53.21 N ATOM 0 H LYS A 94 5.753 0.874 9.789 1.00 60.25 H new ATOM 0 HA LYS A 94 4.797 0.240 12.307 1.00 34.04 H new ATOM 0 HB2 LYS A 94 7.173 0.544 11.780 1.00 12.40 H new ATOM 0 HB3 LYS A 94 6.914 2.204 11.282 1.00 12.40 H new ATOM 0 HG2 LYS A 94 6.364 2.792 13.677 1.00 62.32 H new ATOM 0 HG3 LYS A 94 6.746 1.145 14.139 1.00 62.32 H new ATOM 0 HD2 LYS A 94 9.079 1.407 13.441 1.00 75.54 H new ATOM 0 HD3 LYS A 94 8.742 2.959 12.701 1.00 75.54 H new ATOM 0 HE2 LYS A 94 8.530 2.363 15.687 1.00 64.14 H new ATOM 0 HE3 LYS A 94 9.881 3.171 14.918 1.00 64.14 H new ATOM 0 HZ1 LYS A 94 8.785 5.049 15.275 1.00 53.21 H new ATOM 0 HZ2 LYS A 94 7.672 4.576 14.083 1.00 53.21 H new ATOM 0 HZ3 LYS A 94 7.361 4.236 15.718 1.00 53.21 H new ATOM 1617 N GLU A 95 4.197 3.403 11.531 1.00 61.23 N ATOM 1618 CA GLU A 95 3.387 4.575 11.864 1.00 3.21 C ATOM 1619 C GLU A 95 1.890 4.222 11.765 1.00 74.04 C ATOM 1620 O GLU A 95 1.194 4.288 12.758 1.00 21.23 O ATOM 1621 CB GLU A 95 3.734 5.786 10.953 1.00 61.21 C ATOM 1622 CG GLU A 95 5.222 6.218 10.978 1.00 14.21 C ATOM 1623 CD GLU A 95 5.794 6.454 12.392 1.00 51.00 C ATOM 1624 OE1 GLU A 95 5.384 7.439 13.045 1.00 14.51 O ATOM 1625 OE2 GLU A 95 6.655 5.662 12.856 1.00 71.14 O ATOM 0 H GLU A 95 4.733 3.504 10.669 1.00 61.23 H new ATOM 0 HA GLU A 95 3.614 4.868 12.889 1.00 3.21 H new ATOM 0 HB2 GLU A 95 3.460 5.540 9.927 1.00 61.21 H new ATOM 0 HB3 GLU A 95 3.120 6.635 11.253 1.00 61.21 H new ATOM 0 HG2 GLU A 95 5.818 5.453 10.481 1.00 14.21 H new ATOM 0 HG3 GLU A 95 5.332 7.134 10.397 1.00 14.21 H new ATOM 1632 N PHE A 96 1.464 3.746 10.573 1.00 34.45 N ATOM 1633 CA PHE A 96 0.038 3.534 10.186 1.00 21.41 C ATOM 1634 C PHE A 96 -0.743 2.675 11.206 1.00 34.22 C ATOM 1635 O PHE A 96 -1.931 2.921 11.460 1.00 34.45 O ATOM 1636 CB PHE A 96 -0.008 2.878 8.775 1.00 51.43 C ATOM 1637 CG PHE A 96 -1.388 2.739 8.142 1.00 33.44 C ATOM 1638 CD1 PHE A 96 -2.117 3.869 7.773 1.00 24.12 C ATOM 1639 CD2 PHE A 96 -1.946 1.483 7.895 1.00 71.25 C ATOM 1640 CE1 PHE A 96 -3.358 3.747 7.179 1.00 23.15 C ATOM 1641 CE2 PHE A 96 -3.188 1.364 7.305 1.00 51.40 C ATOM 1642 CZ PHE A 96 -3.891 2.496 6.949 1.00 70.53 C ATOM 0 H PHE A 96 2.114 3.490 9.830 1.00 34.45 H new ATOM 0 HA PHE A 96 -0.452 4.508 10.171 1.00 21.41 H new ATOM 0 HB2 PHE A 96 0.619 3.465 8.104 1.00 51.43 H new ATOM 0 HB3 PHE A 96 0.439 1.886 8.844 1.00 51.43 H new ATOM 0 HD1 PHE A 96 -1.706 4.851 7.954 1.00 24.12 H new ATOM 0 HD2 PHE A 96 -1.399 0.593 8.169 1.00 71.25 H new ATOM 0 HE1 PHE A 96 -3.910 4.630 6.895 1.00 23.15 H new ATOM 0 HE2 PHE A 96 -3.609 0.386 7.122 1.00 51.40 H new ATOM 0 HZ PHE A 96 -4.863 2.402 6.488 1.00 70.53 H new ATOM 1652 N SER A 97 -0.051 1.686 11.784 1.00 23.05 N ATOM 1653 CA SER A 97 -0.611 0.803 12.819 1.00 43.03 C ATOM 1654 C SER A 97 -0.765 1.548 14.162 1.00 31.45 C ATOM 1655 O SER A 97 -1.862 1.576 14.736 1.00 14.42 O ATOM 1656 CB SER A 97 0.299 -0.427 12.978 1.00 21.11 C ATOM 1657 OG SER A 97 1.656 -0.039 13.141 1.00 1.02 O ATOM 0 H SER A 97 0.918 1.473 11.547 1.00 23.05 H new ATOM 0 HA SER A 97 -1.606 0.480 12.511 1.00 43.03 H new ATOM 0 HB2 SER A 97 -0.022 -1.012 13.840 1.00 21.11 H new ATOM 0 HB3 SER A 97 0.204 -1.070 12.103 1.00 21.11 H new ATOM 0 HG SER A 97 2.071 0.077 12.261 1.00 1.02 H new