USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=22 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 Single : A 4 TYR OH : rot 61:sc= 0.495 USER MOD Single : A 9 SER OG : rot 70:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0187) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -160:sc= -0.182 (180deg=-0.732) USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= -0.18 (180deg=-1.39!) USER MOD Single : A 26 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 31 THR OG1 : rot 39:sc= 0.234 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.443 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -92:sc= 0.606 USER MOD Single : A 50 GLN : amide:sc= -0.42 X(o=-0.42,f=-0.075) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 178:sc= 0.491 (180deg=0.48) USER MOD Single : A 59 SER OG : rot 180:sc= -0.749 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= -0.113 (180deg=-0.184) USER MOD Single : A 68 LYS NZ :NH3+ 155:sc= -1.82 (180deg=-2.35!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 73 LYS NZ :NH3+ 150:sc= -0.526 (180deg=-1.78!) USER MOD Single : A 74 MET CE :methyl -172:sc= 0 (180deg=-0.0224) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -56:sc= -0.329 USER MOD Single : A 90 LYS NZ :NH3+ -179:sc= 0.396 (180deg=0.396) USER MOD Single : A 94 LYS NZ :NH3+ -146:sc= 0.695 (180deg=-0.318) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.286 -2.118 9.885 1.00 20.30 N ATOM 21 CA LEU A 2 -9.476 -2.916 8.954 1.00 33.22 C ATOM 22 C LEU A 2 -8.325 -2.049 8.410 1.00 23.20 C ATOM 23 O LEU A 2 -8.568 -1.023 7.777 1.00 23.41 O ATOM 24 CB LEU A 2 -10.360 -3.445 7.789 1.00 12.24 C ATOM 25 CG LEU A 2 -11.495 -4.441 8.177 1.00 43.32 C ATOM 26 CD1 LEU A 2 -12.341 -4.810 6.942 1.00 25.42 C ATOM 27 CD2 LEU A 2 -10.928 -5.703 8.872 1.00 45.52 C ATOM 0 HA LEU A 2 -9.058 -3.775 9.480 1.00 33.22 H new ATOM 0 HB2 LEU A 2 -10.813 -2.589 7.288 1.00 12.24 H new ATOM 0 HB3 LEU A 2 -9.711 -3.933 7.062 1.00 12.24 H new ATOM 0 HG LEU A 2 -12.147 -3.944 8.895 1.00 43.32 H new ATOM 0 HD11 LEU A 2 -13.127 -5.506 7.234 1.00 25.42 H new ATOM 0 HD12 LEU A 2 -12.791 -3.908 6.526 1.00 25.42 H new ATOM 0 HD13 LEU A 2 -11.704 -5.277 6.191 1.00 25.42 H new ATOM 0 HD21 LEU A 2 -11.746 -6.376 9.129 1.00 45.52 H new ATOM 0 HD22 LEU A 2 -10.239 -6.211 8.198 1.00 45.52 H new ATOM 0 HD23 LEU A 2 -10.399 -5.412 9.780 1.00 45.52 H new ATOM 39 N LEU A 3 -7.072 -2.439 8.702 1.00 20.21 N ATOM 40 CA LEU A 3 -5.879 -1.731 8.203 1.00 13.50 C ATOM 41 C LEU A 3 -5.154 -2.613 7.169 1.00 2.21 C ATOM 42 O LEU A 3 -4.620 -3.678 7.511 1.00 61.31 O ATOM 43 CB LEU A 3 -4.941 -1.354 9.389 1.00 44.05 C ATOM 44 CG LEU A 3 -5.531 -0.376 10.461 1.00 44.25 C ATOM 45 CD1 LEU A 3 -4.526 -0.112 11.607 1.00 63.13 C ATOM 46 CD2 LEU A 3 -6.000 0.948 9.820 1.00 50.44 C ATOM 0 H LEU A 3 -6.858 -3.247 9.286 1.00 20.21 H new ATOM 0 HA LEU A 3 -6.180 -0.805 7.714 1.00 13.50 H new ATOM 0 HB2 LEU A 3 -4.642 -2.273 9.893 1.00 44.05 H new ATOM 0 HB3 LEU A 3 -4.036 -0.906 8.979 1.00 44.05 H new ATOM 0 HG LEU A 3 -6.404 -0.864 10.894 1.00 44.25 H new ATOM 0 HD11 LEU A 3 -4.971 0.571 12.331 1.00 63.13 H new ATOM 0 HD12 LEU A 3 -4.280 -1.053 12.099 1.00 63.13 H new ATOM 0 HD13 LEU A 3 -3.618 0.333 11.199 1.00 63.13 H new ATOM 0 HD21 LEU A 3 -6.404 1.603 10.592 1.00 50.44 H new ATOM 0 HD22 LEU A 3 -5.155 1.437 9.335 1.00 50.44 H new ATOM 0 HD23 LEU A 3 -6.773 0.740 9.080 1.00 50.44 H new ATOM 58 N TYR A 4 -5.164 -2.170 5.900 1.00 32.12 N ATOM 59 CA TYR A 4 -4.543 -2.889 4.771 1.00 75.41 C ATOM 60 C TYR A 4 -3.431 -2.038 4.140 1.00 62.13 C ATOM 61 O TYR A 4 -3.468 -0.808 4.188 1.00 14.42 O ATOM 62 CB TYR A 4 -5.618 -3.279 3.714 1.00 13.32 C ATOM 63 CG TYR A 4 -6.479 -4.492 4.114 1.00 23.34 C ATOM 64 CD1 TYR A 4 -7.550 -4.368 4.998 1.00 24.30 C ATOM 65 CD2 TYR A 4 -6.198 -5.774 3.622 1.00 2.45 C ATOM 66 CE1 TYR A 4 -8.308 -5.467 5.368 1.00 61.32 C ATOM 67 CE2 TYR A 4 -6.950 -6.870 3.995 1.00 53.11 C ATOM 68 CZ TYR A 4 -8.000 -6.714 4.870 1.00 32.53 C ATOM 69 OH TYR A 4 -8.740 -7.814 5.258 1.00 62.43 O ATOM 0 H TYR A 4 -5.608 -1.294 5.625 1.00 32.12 H new ATOM 0 HA TYR A 4 -4.093 -3.808 5.148 1.00 75.41 H new ATOM 0 HB2 TYR A 4 -6.271 -2.423 3.543 1.00 13.32 H new ATOM 0 HB3 TYR A 4 -5.121 -3.495 2.768 1.00 13.32 H new ATOM 0 HD1 TYR A 4 -7.793 -3.396 5.402 1.00 24.30 H new ATOM 0 HD2 TYR A 4 -5.375 -5.907 2.936 1.00 2.45 H new ATOM 0 HE1 TYR A 4 -9.140 -5.346 6.046 1.00 61.32 H new ATOM 0 HE2 TYR A 4 -6.715 -7.848 3.601 1.00 53.11 H new ATOM 0 HH TYR A 4 -9.676 -7.686 4.999 1.00 62.43 H new ATOM 79 N VAL A 5 -2.432 -2.728 3.574 1.00 62.54 N ATOM 80 CA VAL A 5 -1.248 -2.124 2.946 1.00 75.41 C ATOM 81 C VAL A 5 -1.101 -2.675 1.509 1.00 2.51 C ATOM 82 O VAL A 5 -0.991 -3.881 1.326 1.00 45.22 O ATOM 83 CB VAL A 5 0.050 -2.447 3.803 1.00 65.30 C ATOM 84 CG1 VAL A 5 1.335 -1.938 3.121 1.00 44.21 C ATOM 85 CG2 VAL A 5 -0.069 -1.888 5.250 1.00 42.52 C ATOM 0 H VAL A 5 -2.424 -3.747 3.539 1.00 62.54 H new ATOM 0 HA VAL A 5 -1.367 -1.041 2.905 1.00 75.41 H new ATOM 0 HB VAL A 5 0.123 -3.533 3.866 1.00 65.30 H new ATOM 0 HG11 VAL A 5 2.197 -2.181 3.742 1.00 44.21 H new ATOM 0 HG12 VAL A 5 1.444 -2.415 2.147 1.00 44.21 H new ATOM 0 HG13 VAL A 5 1.274 -0.858 2.991 1.00 44.21 H new ATOM 0 HG21 VAL A 5 0.836 -2.127 5.808 1.00 42.52 H new ATOM 0 HG22 VAL A 5 -0.197 -0.806 5.213 1.00 42.52 H new ATOM 0 HG23 VAL A 5 -0.930 -2.339 5.744 1.00 42.52 H new ATOM 95 N LEU A 6 -1.127 -1.789 0.498 1.00 15.33 N ATOM 96 CA LEU A 6 -0.912 -2.154 -0.920 1.00 4.34 C ATOM 97 C LEU A 6 0.472 -1.689 -1.355 1.00 51.10 C ATOM 98 O LEU A 6 0.707 -0.497 -1.503 1.00 3.11 O ATOM 99 CB LEU A 6 -2.002 -1.511 -1.824 1.00 63.31 C ATOM 100 CG LEU A 6 -3.450 -2.021 -1.607 1.00 54.03 C ATOM 101 CD1 LEU A 6 -4.450 -1.404 -2.617 1.00 64.14 C ATOM 102 CD2 LEU A 6 -3.487 -3.555 -1.635 1.00 71.33 C ATOM 0 H LEU A 6 -1.298 -0.793 0.639 1.00 15.33 H new ATOM 0 HA LEU A 6 -0.982 -3.237 -1.022 1.00 4.34 H new ATOM 0 HB2 LEU A 6 -1.989 -0.433 -1.664 1.00 63.31 H new ATOM 0 HB3 LEU A 6 -1.730 -1.682 -2.866 1.00 63.31 H new ATOM 0 HG LEU A 6 -3.772 -1.689 -0.620 1.00 54.03 H new ATOM 0 HD11 LEU A 6 -5.450 -1.793 -2.423 1.00 64.14 H new ATOM 0 HD12 LEU A 6 -4.455 -0.320 -2.508 1.00 64.14 H new ATOM 0 HD13 LEU A 6 -4.150 -1.665 -3.632 1.00 64.14 H new ATOM 0 HD21 LEU A 6 -4.510 -3.897 -1.481 1.00 71.33 H new ATOM 0 HD22 LEU A 6 -3.127 -3.910 -2.601 1.00 71.33 H new ATOM 0 HD23 LEU A 6 -2.850 -3.949 -0.843 1.00 71.33 H new ATOM 114 N ILE A 7 1.393 -2.624 -1.567 1.00 41.34 N ATOM 115 CA ILE A 7 2.779 -2.285 -1.886 1.00 23.23 C ATOM 116 C ILE A 7 3.029 -2.471 -3.397 1.00 33.21 C ATOM 117 O ILE A 7 3.055 -3.596 -3.906 1.00 52.10 O ATOM 118 CB ILE A 7 3.784 -3.118 -0.996 1.00 31.00 C ATOM 119 CG1 ILE A 7 5.255 -2.673 -1.256 1.00 33.23 C ATOM 120 CG2 ILE A 7 3.614 -4.652 -1.168 1.00 61.31 C ATOM 121 CD1 ILE A 7 6.252 -3.245 -0.272 1.00 43.02 C ATOM 0 H ILE A 7 1.205 -3.626 -1.524 1.00 41.34 H new ATOM 0 HA ILE A 7 2.958 -1.236 -1.650 1.00 23.23 H new ATOM 0 HB ILE A 7 3.539 -2.902 0.044 1.00 31.00 H new ATOM 0 HG12 ILE A 7 5.542 -2.972 -2.264 1.00 33.23 H new ATOM 0 HG13 ILE A 7 5.307 -1.585 -1.220 1.00 33.23 H new ATOM 0 HG21 ILE A 7 4.331 -5.171 -0.532 1.00 61.31 H new ATOM 0 HG22 ILE A 7 2.602 -4.940 -0.884 1.00 61.31 H new ATOM 0 HG23 ILE A 7 3.790 -4.923 -2.209 1.00 61.31 H new ATOM 0 HD11 ILE A 7 7.252 -2.889 -0.519 1.00 43.02 H new ATOM 0 HD12 ILE A 7 5.992 -2.925 0.737 1.00 43.02 H new ATOM 0 HD13 ILE A 7 6.231 -4.334 -0.324 1.00 43.02 H new ATOM 133 N ILE A 8 3.144 -1.344 -4.124 1.00 51.41 N ATOM 134 CA ILE A 8 3.567 -1.339 -5.527 1.00 60.40 C ATOM 135 C ILE A 8 5.090 -1.225 -5.535 1.00 44.05 C ATOM 136 O ILE A 8 5.638 -0.147 -5.293 1.00 5.12 O ATOM 137 CB ILE A 8 2.938 -0.146 -6.352 1.00 11.55 C ATOM 138 CG1 ILE A 8 1.428 0.014 -6.021 1.00 2.31 C ATOM 139 CG2 ILE A 8 3.171 -0.340 -7.878 1.00 64.33 C ATOM 140 CD1 ILE A 8 0.703 1.066 -6.825 1.00 74.30 C ATOM 0 H ILE A 8 2.945 -0.416 -3.751 1.00 51.41 H new ATOM 0 HA ILE A 8 3.222 -2.256 -6.005 1.00 60.40 H new ATOM 0 HB ILE A 8 3.441 0.776 -6.060 1.00 11.55 H new ATOM 0 HG12 ILE A 8 0.934 -0.945 -6.178 1.00 2.31 H new ATOM 0 HG13 ILE A 8 1.328 0.255 -4.963 1.00 2.31 H new ATOM 0 HG21 ILE A 8 2.729 0.494 -8.423 1.00 64.33 H new ATOM 0 HG22 ILE A 8 4.241 -0.379 -8.081 1.00 64.33 H new ATOM 0 HG23 ILE A 8 2.707 -1.272 -8.201 1.00 64.33 H new ATOM 0 HD11 ILE A 8 -0.343 1.100 -6.520 1.00 74.30 H new ATOM 0 HD12 ILE A 8 1.164 2.038 -6.651 1.00 74.30 H new ATOM 0 HD13 ILE A 8 0.764 0.820 -7.885 1.00 74.30 H new ATOM 152 N SER A 9 5.762 -2.346 -5.761 1.00 55.44 N ATOM 153 CA SER A 9 7.220 -2.402 -5.829 1.00 72.00 C ATOM 154 C SER A 9 7.632 -3.546 -6.747 1.00 3.44 C ATOM 155 O SER A 9 6.961 -4.580 -6.803 1.00 4.12 O ATOM 156 CB SER A 9 7.823 -2.576 -4.409 1.00 52.04 C ATOM 157 OG SER A 9 9.246 -2.626 -4.439 1.00 73.40 O ATOM 0 H SER A 9 5.310 -3.249 -5.904 1.00 55.44 H new ATOM 0 HA SER A 9 7.605 -1.467 -6.236 1.00 72.00 H new ATOM 0 HB2 SER A 9 7.502 -1.750 -3.775 1.00 52.04 H new ATOM 0 HB3 SER A 9 7.437 -3.491 -3.960 1.00 52.04 H new ATOM 0 HG SER A 9 9.600 -1.742 -4.669 1.00 73.40 H new ATOM 163 N ASN A 10 8.710 -3.324 -7.494 1.00 4.22 N ATOM 164 CA ASN A 10 9.285 -4.322 -8.404 1.00 74.13 C ATOM 165 C ASN A 10 10.487 -5.014 -7.739 1.00 20.20 C ATOM 166 O ASN A 10 10.978 -6.040 -8.229 1.00 21.31 O ATOM 167 CB ASN A 10 9.698 -3.632 -9.731 1.00 23.42 C ATOM 168 CG ASN A 10 8.564 -2.844 -10.413 1.00 34.31 C ATOM 169 OD1 ASN A 10 8.809 -1.822 -11.056 1.00 54.02 O ATOM 170 ND2 ASN A 10 7.321 -3.311 -10.309 1.00 14.13 N ATOM 0 H ASN A 10 9.217 -2.439 -7.488 1.00 4.22 H new ATOM 0 HA ASN A 10 8.541 -5.087 -8.627 1.00 74.13 H new ATOM 0 HB2 ASN A 10 10.528 -2.954 -9.532 1.00 23.42 H new ATOM 0 HB3 ASN A 10 10.065 -4.390 -10.423 1.00 23.42 H new ATOM 0 HD21 ASN A 10 6.552 -2.821 -10.766 1.00 14.13 H new ATOM 0 HD22 ASN A 10 7.138 -4.159 -9.772 1.00 14.13 H new ATOM 177 N ASP A 11 10.951 -4.442 -6.610 1.00 50.33 N ATOM 178 CA ASP A 11 12.084 -4.976 -5.843 1.00 3.41 C ATOM 179 C ASP A 11 11.558 -5.959 -4.788 1.00 70.44 C ATOM 180 O ASP A 11 10.839 -5.562 -3.866 1.00 54.33 O ATOM 181 CB ASP A 11 12.893 -3.831 -5.178 1.00 14.22 C ATOM 182 CG ASP A 11 14.158 -4.328 -4.442 1.00 73.22 C ATOM 183 OD1 ASP A 11 15.088 -4.829 -5.114 1.00 64.41 O ATOM 184 OD2 ASP A 11 14.226 -4.229 -3.206 1.00 11.43 O ATOM 0 H ASP A 11 10.547 -3.596 -6.208 1.00 50.33 H new ATOM 0 HA ASP A 11 12.759 -5.501 -6.519 1.00 3.41 H new ATOM 0 HB2 ASP A 11 13.184 -3.110 -5.941 1.00 14.22 H new ATOM 0 HB3 ASP A 11 12.252 -3.305 -4.471 1.00 14.22 H new ATOM 189 N LYS A 12 11.926 -7.244 -4.952 1.00 15.11 N ATOM 190 CA LYS A 12 11.498 -8.351 -4.065 1.00 10.45 C ATOM 191 C LYS A 12 11.955 -8.125 -2.611 1.00 10.12 C ATOM 192 O LYS A 12 11.231 -8.471 -1.681 1.00 24.11 O ATOM 193 CB LYS A 12 12.020 -9.735 -4.577 1.00 33.41 C ATOM 194 CG LYS A 12 11.320 -10.290 -5.845 1.00 70.31 C ATOM 195 CD LYS A 12 11.632 -9.500 -7.136 1.00 53.43 C ATOM 196 CE LYS A 12 10.891 -10.064 -8.358 1.00 33.11 C ATOM 197 NZ LYS A 12 11.157 -9.278 -9.589 1.00 11.14 N ATOM 0 H LYS A 12 12.535 -7.549 -5.711 1.00 15.11 H new ATOM 0 HA LYS A 12 10.408 -8.362 -4.086 1.00 10.45 H new ATOM 0 HB2 LYS A 12 13.087 -9.647 -4.782 1.00 33.41 H new ATOM 0 HB3 LYS A 12 11.909 -10.464 -3.774 1.00 33.41 H new ATOM 0 HG2 LYS A 12 11.619 -11.329 -5.986 1.00 70.31 H new ATOM 0 HG3 LYS A 12 10.242 -10.288 -5.682 1.00 70.31 H new ATOM 0 HD2 LYS A 12 11.355 -8.455 -6.996 1.00 53.43 H new ATOM 0 HD3 LYS A 12 12.706 -9.523 -7.323 1.00 53.43 H new ATOM 0 HE2 LYS A 12 11.193 -11.099 -8.518 1.00 33.11 H new ATOM 0 HE3 LYS A 12 9.819 -10.072 -8.159 1.00 33.11 H new ATOM 0 HZ1 LYS A 12 10.636 -9.695 -10.387 1.00 11.14 H new ATOM 0 HZ2 LYS A 12 10.845 -8.296 -9.448 1.00 11.14 H new ATOM 0 HZ3 LYS A 12 12.176 -9.291 -9.796 1.00 11.14 H new ATOM 211 N LYS A 13 13.145 -7.511 -2.439 1.00 73.31 N ATOM 212 CA LYS A 13 13.738 -7.262 -1.105 1.00 4.35 C ATOM 213 C LYS A 13 12.905 -6.216 -0.339 1.00 73.44 C ATOM 214 O LYS A 13 12.687 -6.350 0.866 1.00 44.41 O ATOM 215 CB LYS A 13 15.217 -6.795 -1.243 1.00 31.32 C ATOM 216 CG LYS A 13 16.137 -7.782 -1.998 1.00 3.24 C ATOM 217 CD LYS A 13 16.243 -9.161 -1.301 1.00 54.51 C ATOM 218 CE LYS A 13 17.143 -10.154 -2.061 1.00 2.20 C ATOM 219 NZ LYS A 13 18.552 -9.681 -2.160 1.00 22.42 N ATOM 0 H LYS A 13 13.719 -7.176 -3.213 1.00 73.31 H new ATOM 0 HA LYS A 13 13.728 -8.194 -0.539 1.00 4.35 H new ATOM 0 HB2 LYS A 13 15.234 -5.835 -1.760 1.00 31.32 H new ATOM 0 HB3 LYS A 13 15.626 -6.628 -0.246 1.00 31.32 H new ATOM 0 HG2 LYS A 13 15.759 -7.921 -3.011 1.00 3.24 H new ATOM 0 HG3 LYS A 13 17.133 -7.348 -2.086 1.00 3.24 H new ATOM 0 HD2 LYS A 13 16.634 -9.023 -0.293 1.00 54.51 H new ATOM 0 HD3 LYS A 13 15.245 -9.588 -1.200 1.00 54.51 H new ATOM 0 HE2 LYS A 13 17.121 -11.120 -1.556 1.00 2.20 H new ATOM 0 HE3 LYS A 13 16.743 -10.309 -3.063 1.00 2.20 H new ATOM 0 HZ1 LYS A 13 19.139 -10.425 -2.588 1.00 22.42 H new ATOM 0 HZ2 LYS A 13 18.591 -8.826 -2.751 1.00 22.42 H new ATOM 0 HZ3 LYS A 13 18.912 -9.461 -1.209 1.00 22.42 H new ATOM 233 N LEU A 14 12.441 -5.191 -1.081 1.00 43.34 N ATOM 234 CA LEU A 14 11.590 -4.111 -0.545 1.00 75.23 C ATOM 235 C LEU A 14 10.238 -4.684 -0.086 1.00 51.24 C ATOM 236 O LEU A 14 9.772 -4.378 1.019 1.00 51.21 O ATOM 237 CB LEU A 14 11.415 -2.984 -1.624 1.00 24.54 C ATOM 238 CG LEU A 14 10.900 -1.575 -1.135 1.00 42.12 C ATOM 239 CD1 LEU A 14 11.267 -0.469 -2.139 1.00 55.12 C ATOM 240 CD2 LEU A 14 9.381 -1.546 -0.861 1.00 10.34 C ATOM 0 H LEU A 14 12.648 -5.089 -2.075 1.00 43.34 H new ATOM 0 HA LEU A 14 12.069 -3.664 0.326 1.00 75.23 H new ATOM 0 HB2 LEU A 14 12.377 -2.838 -2.115 1.00 24.54 H new ATOM 0 HB3 LEU A 14 10.722 -3.350 -2.382 1.00 24.54 H new ATOM 0 HG LEU A 14 11.406 -1.388 -0.188 1.00 42.12 H new ATOM 0 HD11 LEU A 14 10.899 0.490 -1.775 1.00 55.12 H new ATOM 0 HD12 LEU A 14 12.350 -0.423 -2.250 1.00 55.12 H new ATOM 0 HD13 LEU A 14 10.812 -0.689 -3.105 1.00 55.12 H new ATOM 0 HD21 LEU A 14 9.090 -0.550 -0.528 1.00 10.34 H new ATOM 0 HD22 LEU A 14 8.842 -1.795 -1.775 1.00 10.34 H new ATOM 0 HD23 LEU A 14 9.137 -2.273 -0.086 1.00 10.34 H new ATOM 252 N ILE A 15 9.641 -5.535 -0.948 1.00 13.42 N ATOM 253 CA ILE A 15 8.347 -6.192 -0.684 1.00 32.11 C ATOM 254 C ILE A 15 8.424 -7.070 0.579 1.00 14.32 C ATOM 255 O ILE A 15 7.538 -7.015 1.435 1.00 51.22 O ATOM 256 CB ILE A 15 7.878 -7.055 -1.923 1.00 54.41 C ATOM 257 CG1 ILE A 15 7.709 -6.154 -3.191 1.00 21.23 C ATOM 258 CG2 ILE A 15 6.572 -7.829 -1.618 1.00 43.25 C ATOM 259 CD1 ILE A 15 7.358 -6.904 -4.469 1.00 12.45 C ATOM 0 H ILE A 15 10.047 -5.785 -1.850 1.00 13.42 H new ATOM 0 HA ILE A 15 7.609 -5.407 -0.517 1.00 32.11 H new ATOM 0 HB ILE A 15 8.655 -7.793 -2.125 1.00 54.41 H new ATOM 0 HG12 ILE A 15 6.930 -5.417 -2.994 1.00 21.23 H new ATOM 0 HG13 ILE A 15 8.635 -5.603 -3.353 1.00 21.23 H new ATOM 0 HG21 ILE A 15 6.281 -8.410 -2.493 1.00 43.25 H new ATOM 0 HG22 ILE A 15 6.735 -8.500 -0.774 1.00 43.25 H new ATOM 0 HG23 ILE A 15 5.779 -7.122 -1.372 1.00 43.25 H new ATOM 0 HD11 ILE A 15 7.262 -6.196 -5.292 1.00 12.45 H new ATOM 0 HD12 ILE A 15 8.146 -7.621 -4.698 1.00 12.45 H new ATOM 0 HD13 ILE A 15 6.414 -7.433 -4.333 1.00 12.45 H new ATOM 271 N GLU A 16 9.514 -7.846 0.685 1.00 13.43 N ATOM 272 CA GLU A 16 9.723 -8.785 1.794 1.00 12.23 C ATOM 273 C GLU A 16 9.900 -8.063 3.139 1.00 64.12 C ATOM 274 O GLU A 16 9.184 -8.362 4.091 1.00 24.33 O ATOM 275 CB GLU A 16 10.920 -9.725 1.492 1.00 10.24 C ATOM 276 CG GLU A 16 10.632 -10.775 0.397 1.00 73.34 C ATOM 277 CD GLU A 16 9.523 -11.777 0.788 1.00 44.31 C ATOM 278 OE1 GLU A 16 8.318 -11.477 0.610 1.00 2.23 O ATOM 279 OE2 GLU A 16 9.845 -12.878 1.288 1.00 41.40 O ATOM 0 H GLU A 16 10.273 -7.839 0.004 1.00 13.43 H new ATOM 0 HA GLU A 16 8.823 -9.394 1.884 1.00 12.23 H new ATOM 0 HB2 GLU A 16 11.775 -9.122 1.187 1.00 10.24 H new ATOM 0 HB3 GLU A 16 11.205 -10.240 2.409 1.00 10.24 H new ATOM 0 HG2 GLU A 16 10.342 -10.263 -0.521 1.00 73.34 H new ATOM 0 HG3 GLU A 16 11.548 -11.324 0.180 1.00 73.34 H new ATOM 286 N GLU A 17 10.818 -7.084 3.192 1.00 5.25 N ATOM 287 CA GLU A 17 11.179 -6.393 4.453 1.00 4.44 C ATOM 288 C GLU A 17 10.045 -5.486 4.953 1.00 44.12 C ATOM 289 O GLU A 17 9.868 -5.324 6.172 1.00 65.12 O ATOM 290 CB GLU A 17 12.508 -5.617 4.282 1.00 5.04 C ATOM 291 CG GLU A 17 13.689 -6.540 3.925 1.00 63.01 C ATOM 292 CD GLU A 17 15.031 -5.818 3.752 1.00 64.20 C ATOM 293 OE1 GLU A 17 15.109 -4.877 2.947 1.00 43.44 O ATOM 294 OE2 GLU A 17 16.023 -6.196 4.420 1.00 40.34 O ATOM 0 H GLU A 17 11.329 -6.748 2.375 1.00 5.25 H new ATOM 0 HA GLU A 17 11.329 -7.150 5.222 1.00 4.44 H new ATOM 0 HB2 GLU A 17 12.389 -4.866 3.501 1.00 5.04 H new ATOM 0 HB3 GLU A 17 12.735 -5.083 5.205 1.00 5.04 H new ATOM 0 HG2 GLU A 17 13.794 -7.293 4.706 1.00 63.01 H new ATOM 0 HG3 GLU A 17 13.454 -7.069 3.002 1.00 63.01 H new ATOM 301 N ALA A 18 9.269 -4.916 4.016 1.00 12.12 N ATOM 302 CA ALA A 18 8.048 -4.165 4.351 1.00 25.42 C ATOM 303 C ALA A 18 6.980 -5.119 4.919 1.00 62.22 C ATOM 304 O ALA A 18 6.330 -4.808 5.923 1.00 71.31 O ATOM 305 CB ALA A 18 7.516 -3.414 3.124 1.00 15.12 C ATOM 0 H ALA A 18 9.467 -4.962 3.016 1.00 12.12 H new ATOM 0 HA ALA A 18 8.292 -3.425 5.113 1.00 25.42 H new ATOM 0 HB1 ALA A 18 6.614 -2.866 3.396 1.00 15.12 H new ATOM 0 HB2 ALA A 18 8.273 -2.714 2.770 1.00 15.12 H new ATOM 0 HB3 ALA A 18 7.283 -4.127 2.333 1.00 15.12 H new ATOM 311 N ARG A 19 6.847 -6.305 4.280 1.00 52.40 N ATOM 312 CA ARG A 19 5.866 -7.339 4.680 1.00 65.03 C ATOM 313 C ARG A 19 6.172 -7.892 6.083 1.00 52.21 C ATOM 314 O ARG A 19 5.248 -8.140 6.848 1.00 73.12 O ATOM 315 CB ARG A 19 5.802 -8.490 3.634 1.00 71.30 C ATOM 316 CG ARG A 19 4.694 -9.539 3.897 1.00 2.52 C ATOM 317 CD ARG A 19 4.564 -10.574 2.767 1.00 5.35 C ATOM 318 NE ARG A 19 5.794 -11.364 2.567 1.00 33.42 N ATOM 319 CZ ARG A 19 6.086 -12.517 3.191 1.00 54.33 C ATOM 320 NH1 ARG A 19 5.254 -13.061 4.081 1.00 43.21 N ATOM 321 NH2 ARG A 19 7.219 -13.135 2.905 1.00 20.40 N ATOM 0 H ARG A 19 7.415 -6.571 3.475 1.00 52.40 H new ATOM 0 HA ARG A 19 4.887 -6.861 4.716 1.00 65.03 H new ATOM 0 HB2 ARG A 19 5.647 -8.057 2.646 1.00 71.30 H new ATOM 0 HB3 ARG A 19 6.767 -8.997 3.612 1.00 71.30 H new ATOM 0 HG2 ARG A 19 4.906 -10.056 4.833 1.00 2.52 H new ATOM 0 HG3 ARG A 19 3.740 -9.027 4.025 1.00 2.52 H new ATOM 0 HD2 ARG A 19 3.738 -11.248 2.992 1.00 5.35 H new ATOM 0 HD3 ARG A 19 4.313 -10.061 1.839 1.00 5.35 H new ATOM 0 HE ARG A 19 6.478 -11.005 1.901 1.00 33.42 H new ATOM 0 HH11 ARG A 19 4.371 -12.600 4.302 1.00 43.21 H new ATOM 0 HH12 ARG A 19 5.501 -13.938 4.540 1.00 43.21 H new ATOM 0 HH21 ARG A 19 7.859 -12.735 2.218 1.00 20.40 H new ATOM 0 HH22 ARG A 19 7.454 -14.011 3.371 1.00 20.40 H new ATOM 335 N LYS A 20 7.478 -8.026 6.420 1.00 73.21 N ATOM 336 CA LYS A 20 7.931 -8.466 7.764 1.00 63.12 C ATOM 337 C LYS A 20 7.368 -7.516 8.839 1.00 21.34 C ATOM 338 O LYS A 20 6.770 -7.955 9.820 1.00 1.42 O ATOM 339 CB LYS A 20 9.486 -8.499 7.857 1.00 32.31 C ATOM 340 CG LYS A 20 10.182 -9.463 6.876 1.00 61.42 C ATOM 341 CD LYS A 20 11.727 -9.374 6.948 1.00 22.54 C ATOM 342 CE LYS A 20 12.429 -10.214 5.869 1.00 71.44 C ATOM 343 NZ LYS A 20 13.909 -10.234 6.036 1.00 24.41 N ATOM 0 H LYS A 20 8.243 -7.834 5.773 1.00 73.21 H new ATOM 0 HA LYS A 20 7.560 -9.477 7.932 1.00 63.12 H new ATOM 0 HB2 LYS A 20 9.866 -7.492 7.683 1.00 32.31 H new ATOM 0 HB3 LYS A 20 9.767 -8.775 8.873 1.00 32.31 H new ATOM 0 HG2 LYS A 20 9.870 -10.485 7.094 1.00 61.42 H new ATOM 0 HG3 LYS A 20 9.856 -9.240 5.860 1.00 61.42 H new ATOM 0 HD2 LYS A 20 12.030 -8.332 6.844 1.00 22.54 H new ATOM 0 HD3 LYS A 20 12.059 -9.706 7.932 1.00 22.54 H new ATOM 0 HE2 LYS A 20 12.049 -11.235 5.903 1.00 71.44 H new ATOM 0 HE3 LYS A 20 12.183 -9.815 4.885 1.00 71.44 H new ATOM 0 HZ1 LYS A 20 14.335 -10.813 5.285 1.00 24.41 H new ATOM 0 HZ2 LYS A 20 14.278 -9.264 5.977 1.00 24.41 H new ATOM 0 HZ3 LYS A 20 14.148 -10.639 6.963 1.00 24.41 H new ATOM 357 N MET A 21 7.520 -6.205 8.579 1.00 74.43 N ATOM 358 CA MET A 21 7.039 -5.136 9.472 1.00 2.25 C ATOM 359 C MET A 21 5.509 -5.094 9.554 1.00 20.45 C ATOM 360 O MET A 21 4.961 -4.822 10.621 1.00 22.24 O ATOM 361 CB MET A 21 7.601 -3.761 9.014 1.00 34.23 C ATOM 362 CG MET A 21 9.047 -3.510 9.457 1.00 41.42 C ATOM 363 SD MET A 21 9.234 -3.490 11.255 1.00 73.53 S ATOM 364 CE MET A 21 8.058 -2.215 11.721 1.00 20.22 C ATOM 0 H MET A 21 7.982 -5.856 7.739 1.00 74.43 H new ATOM 0 HA MET A 21 7.406 -5.357 10.474 1.00 2.25 H new ATOM 0 HB2 MET A 21 7.547 -3.700 7.927 1.00 34.23 H new ATOM 0 HB3 MET A 21 6.966 -2.968 9.410 1.00 34.23 H new ATOM 0 HG2 MET A 21 9.690 -4.284 9.038 1.00 41.42 H new ATOM 0 HG3 MET A 21 9.387 -2.558 9.050 1.00 41.42 H new ATOM 0 HE1 MET A 21 8.302 -1.841 12.715 1.00 20.22 H new ATOM 0 HE2 MET A 21 8.106 -1.396 11.004 1.00 20.22 H new ATOM 0 HE3 MET A 21 7.051 -2.633 11.727 1.00 20.22 H new ATOM 374 N ALA A 22 4.836 -5.357 8.422 1.00 1.13 N ATOM 375 CA ALA A 22 3.367 -5.405 8.355 1.00 74.45 C ATOM 376 C ALA A 22 2.801 -6.556 9.205 1.00 32.21 C ATOM 377 O ALA A 22 1.830 -6.371 9.929 1.00 61.33 O ATOM 378 CB ALA A 22 2.907 -5.522 6.895 1.00 73.25 C ATOM 0 H ALA A 22 5.294 -5.542 7.530 1.00 1.13 H new ATOM 0 HA ALA A 22 2.978 -4.475 8.770 1.00 74.45 H new ATOM 0 HB1 ALA A 22 1.818 -5.557 6.858 1.00 73.25 H new ATOM 0 HB2 ALA A 22 3.262 -4.659 6.331 1.00 73.25 H new ATOM 0 HB3 ALA A 22 3.314 -6.433 6.457 1.00 73.25 H new ATOM 384 N GLU A 23 3.453 -7.729 9.123 1.00 73.20 N ATOM 385 CA GLU A 23 3.071 -8.937 9.887 1.00 73.24 C ATOM 386 C GLU A 23 3.277 -8.727 11.405 1.00 72.11 C ATOM 387 O GLU A 23 2.466 -9.186 12.224 1.00 22.44 O ATOM 388 CB GLU A 23 3.886 -10.161 9.384 1.00 73.42 C ATOM 389 CG GLU A 23 3.609 -10.559 7.915 1.00 4.13 C ATOM 390 CD GLU A 23 4.568 -11.642 7.385 1.00 22.24 C ATOM 391 OE1 GLU A 23 5.741 -11.323 7.096 1.00 64.51 O ATOM 392 OE2 GLU A 23 4.159 -12.823 7.270 1.00 5.41 O ATOM 0 H GLU A 23 4.265 -7.870 8.522 1.00 73.20 H new ATOM 0 HA GLU A 23 2.010 -9.128 9.723 1.00 73.24 H new ATOM 0 HB2 GLU A 23 4.948 -9.943 9.494 1.00 73.42 H new ATOM 0 HB3 GLU A 23 3.668 -11.015 10.025 1.00 73.42 H new ATOM 0 HG2 GLU A 23 2.584 -10.919 7.831 1.00 4.13 H new ATOM 0 HG3 GLU A 23 3.689 -9.673 7.285 1.00 4.13 H new ATOM 399 N LYS A 24 4.365 -8.010 11.758 1.00 3.00 N ATOM 400 CA LYS A 24 4.680 -7.648 13.161 1.00 12.43 C ATOM 401 C LYS A 24 3.690 -6.596 13.685 1.00 22.42 C ATOM 402 O LYS A 24 3.286 -6.637 14.848 1.00 14.41 O ATOM 403 CB LYS A 24 6.146 -7.134 13.277 1.00 44.34 C ATOM 404 CG LYS A 24 7.206 -8.199 12.921 1.00 11.24 C ATOM 405 CD LYS A 24 8.677 -7.693 12.968 1.00 63.21 C ATOM 406 CE LYS A 24 9.288 -7.664 14.386 1.00 61.43 C ATOM 407 NZ LYS A 24 8.705 -6.611 15.260 1.00 32.23 N ATOM 0 H LYS A 24 5.048 -7.666 11.084 1.00 3.00 H new ATOM 0 HA LYS A 24 4.582 -8.542 13.777 1.00 12.43 H new ATOM 0 HB2 LYS A 24 6.273 -6.273 12.620 1.00 44.34 H new ATOM 0 HB3 LYS A 24 6.320 -6.786 14.295 1.00 44.34 H new ATOM 0 HG2 LYS A 24 7.103 -9.039 13.608 1.00 11.24 H new ATOM 0 HG3 LYS A 24 6.998 -8.579 11.921 1.00 11.24 H new ATOM 0 HD2 LYS A 24 9.290 -8.332 12.333 1.00 63.21 H new ATOM 0 HD3 LYS A 24 8.718 -6.689 12.545 1.00 63.21 H new ATOM 0 HE2 LYS A 24 9.143 -8.637 14.856 1.00 61.43 H new ATOM 0 HE3 LYS A 24 10.363 -7.505 14.307 1.00 61.43 H new ATOM 0 HZ1 LYS A 24 9.421 -6.292 15.944 1.00 32.23 H new ATOM 0 HZ2 LYS A 24 8.400 -5.806 14.677 1.00 32.23 H new ATOM 0 HZ3 LYS A 24 7.886 -6.998 15.771 1.00 32.23 H new ATOM 421 N ALA A 25 3.284 -5.673 12.798 1.00 14.12 N ATOM 422 CA ALA A 25 2.308 -4.612 13.123 1.00 51.41 C ATOM 423 C ALA A 25 0.860 -5.117 12.962 1.00 41.01 C ATOM 424 O ALA A 25 -0.086 -4.361 13.212 1.00 3.15 O ATOM 425 CB ALA A 25 2.567 -3.374 12.241 1.00 51.31 C ATOM 0 H ALA A 25 3.621 -5.638 11.836 1.00 14.12 H new ATOM 0 HA ALA A 25 2.437 -4.329 14.168 1.00 51.41 H new ATOM 0 HB1 ALA A 25 1.844 -2.596 12.485 1.00 51.31 H new ATOM 0 HB2 ALA A 25 3.576 -3.003 12.422 1.00 51.31 H new ATOM 0 HB3 ALA A 25 2.464 -3.648 11.191 1.00 51.31 H new ATOM 431 N ASN A 26 0.711 -6.390 12.506 1.00 21.30 N ATOM 432 CA ASN A 26 -0.595 -7.088 12.340 1.00 70.23 C ATOM 433 C ASN A 26 -1.454 -6.467 11.214 1.00 23.02 C ATOM 434 O ASN A 26 -2.647 -6.757 11.101 1.00 11.35 O ATOM 435 CB ASN A 26 -1.377 -7.172 13.698 1.00 73.31 C ATOM 436 CG ASN A 26 -0.774 -8.144 14.734 1.00 1.15 C ATOM 437 OD1 ASN A 26 0.539 -8.367 14.711 1.00 62.04 O flip ATOM 438 ND2 ASN A 26 -1.498 -8.694 15.568 1.00 45.02 N flip ATOM 0 H ASN A 26 1.507 -6.970 12.239 1.00 21.30 H new ATOM 0 HA ASN A 26 -0.373 -8.109 12.029 1.00 70.23 H new ATOM 0 HB2 ASN A 26 -1.421 -6.176 14.138 1.00 73.31 H new ATOM 0 HB3 ASN A 26 -2.404 -7.474 13.492 1.00 73.31 H new ATOM 0 HD21 ASN A 26 -2.502 -8.512 15.571 1.00 45.02 H new ATOM 0 HD22 ASN A 26 -1.093 -9.331 16.254 1.00 45.02 H new ATOM 445 N LEU A 27 -0.814 -5.642 10.363 1.00 3.21 N ATOM 446 CA LEU A 27 -1.448 -5.024 9.188 1.00 0.04 C ATOM 447 C LEU A 27 -1.400 -6.002 8.004 1.00 11.21 C ATOM 448 O LEU A 27 -0.363 -6.641 7.766 1.00 10.53 O ATOM 449 CB LEU A 27 -0.721 -3.698 8.816 1.00 30.23 C ATOM 450 CG LEU A 27 -0.478 -2.687 9.982 1.00 3.30 C ATOM 451 CD1 LEU A 27 0.123 -1.371 9.458 1.00 15.01 C ATOM 452 CD2 LEU A 27 -1.755 -2.437 10.809 1.00 63.44 C ATOM 0 H LEU A 27 0.167 -5.385 10.475 1.00 3.21 H new ATOM 0 HA LEU A 27 -2.487 -4.795 9.424 1.00 0.04 H new ATOM 0 HB2 LEU A 27 0.244 -3.950 8.376 1.00 30.23 H new ATOM 0 HB3 LEU A 27 -1.303 -3.195 8.043 1.00 30.23 H new ATOM 0 HG LEU A 27 0.249 -3.141 10.656 1.00 3.30 H new ATOM 0 HD11 LEU A 27 0.282 -0.686 10.291 1.00 15.01 H new ATOM 0 HD12 LEU A 27 1.076 -1.575 8.970 1.00 15.01 H new ATOM 0 HD13 LEU A 27 -0.562 -0.918 8.741 1.00 15.01 H new ATOM 0 HD21 LEU A 27 -1.538 -1.728 11.608 1.00 63.44 H new ATOM 0 HD22 LEU A 27 -2.533 -2.029 10.163 1.00 63.44 H new ATOM 0 HD23 LEU A 27 -2.098 -3.377 11.241 1.00 63.44 H new ATOM 464 N GLU A 28 -2.502 -6.097 7.253 1.00 13.45 N ATOM 465 CA GLU A 28 -2.637 -7.060 6.155 1.00 73.34 C ATOM 466 C GLU A 28 -2.090 -6.470 4.841 1.00 53.01 C ATOM 467 O GLU A 28 -2.694 -5.573 4.255 1.00 34.22 O ATOM 468 CB GLU A 28 -4.118 -7.502 6.032 1.00 45.45 C ATOM 469 CG GLU A 28 -4.640 -8.321 7.234 1.00 41.22 C ATOM 470 CD GLU A 28 -3.881 -9.654 7.420 1.00 72.31 C ATOM 471 OE1 GLU A 28 -4.211 -10.643 6.721 1.00 12.11 O ATOM 472 OE2 GLU A 28 -2.938 -9.712 8.241 1.00 64.53 O ATOM 0 H GLU A 28 -3.325 -5.509 7.389 1.00 13.45 H new ATOM 0 HA GLU A 28 -2.040 -7.946 6.371 1.00 73.34 H new ATOM 0 HB2 GLU A 28 -4.741 -6.615 5.914 1.00 45.45 H new ATOM 0 HB3 GLU A 28 -4.233 -8.096 5.125 1.00 45.45 H new ATOM 0 HG2 GLU A 28 -4.548 -7.725 8.142 1.00 41.22 H new ATOM 0 HG3 GLU A 28 -5.701 -8.528 7.095 1.00 41.22 H new ATOM 479 N LEU A 29 -0.948 -7.016 4.381 1.00 54.13 N ATOM 480 CA LEU A 29 -0.213 -6.515 3.214 1.00 2.32 C ATOM 481 C LEU A 29 -0.550 -7.391 1.999 1.00 23.40 C ATOM 482 O LEU A 29 -0.369 -8.616 2.027 1.00 65.34 O ATOM 483 CB LEU A 29 1.320 -6.478 3.509 1.00 30.03 C ATOM 484 CG LEU A 29 2.261 -5.949 2.348 1.00 33.13 C ATOM 485 CD1 LEU A 29 3.436 -5.099 2.889 1.00 13.22 C ATOM 486 CD2 LEU A 29 2.809 -7.104 1.467 1.00 62.43 C ATOM 0 H LEU A 29 -0.509 -7.826 4.817 1.00 54.13 H new ATOM 0 HA LEU A 29 -0.514 -5.491 2.992 1.00 2.32 H new ATOM 0 HB2 LEU A 29 1.481 -5.854 4.388 1.00 30.03 H new ATOM 0 HB3 LEU A 29 1.639 -7.487 3.772 1.00 30.03 H new ATOM 0 HG LEU A 29 1.634 -5.310 1.726 1.00 33.13 H new ATOM 0 HD11 LEU A 29 4.053 -4.759 2.057 1.00 13.22 H new ATOM 0 HD12 LEU A 29 3.043 -4.236 3.426 1.00 13.22 H new ATOM 0 HD13 LEU A 29 4.041 -5.703 3.566 1.00 13.22 H new ATOM 0 HD21 LEU A 29 3.448 -6.694 0.685 1.00 62.43 H new ATOM 0 HD22 LEU A 29 3.387 -7.790 2.085 1.00 62.43 H new ATOM 0 HD23 LEU A 29 1.977 -7.640 1.011 1.00 62.43 H new ATOM 498 N ARG A 30 -1.052 -6.736 0.947 1.00 51.24 N ATOM 499 CA ARG A 30 -1.473 -7.353 -0.313 1.00 41.25 C ATOM 500 C ARG A 30 -0.523 -6.825 -1.410 1.00 13.41 C ATOM 501 O ARG A 30 -0.476 -5.607 -1.651 1.00 64.33 O ATOM 502 CB ARG A 30 -2.959 -6.972 -0.599 1.00 23.41 C ATOM 503 CG ARG A 30 -3.922 -7.144 0.605 1.00 24.23 C ATOM 504 CD ARG A 30 -4.223 -8.609 0.950 1.00 71.32 C ATOM 505 NE ARG A 30 -5.174 -9.200 -0.014 1.00 64.32 N ATOM 506 CZ ARG A 30 -5.143 -10.456 -0.484 1.00 3.20 C ATOM 507 NH1 ARG A 30 -4.197 -11.315 -0.105 1.00 53.05 N ATOM 508 NH2 ARG A 30 -6.085 -10.858 -1.332 1.00 74.23 N ATOM 0 H ARG A 30 -1.181 -5.724 0.951 1.00 51.24 H new ATOM 0 HA ARG A 30 -1.419 -8.441 -0.277 1.00 41.25 H new ATOM 0 HB2 ARG A 30 -2.995 -5.934 -0.929 1.00 23.41 H new ATOM 0 HB3 ARG A 30 -3.322 -7.582 -1.426 1.00 23.41 H new ATOM 0 HG2 ARG A 30 -3.489 -6.656 1.478 1.00 24.23 H new ATOM 0 HG3 ARG A 30 -4.859 -6.632 0.386 1.00 24.23 H new ATOM 0 HD2 ARG A 30 -3.297 -9.183 0.950 1.00 71.32 H new ATOM 0 HD3 ARG A 30 -4.636 -8.671 1.957 1.00 71.32 H new ATOM 0 HE ARG A 30 -5.923 -8.597 -0.354 1.00 64.32 H new ATOM 0 HH11 ARG A 30 -3.477 -11.022 0.555 1.00 53.05 H new ATOM 0 HH12 ARG A 30 -4.193 -12.265 -0.475 1.00 53.05 H new ATOM 0 HH21 ARG A 30 -6.822 -10.213 -1.619 1.00 74.23 H new ATOM 0 HH22 ARG A 30 -6.071 -11.811 -1.696 1.00 74.23 H new ATOM 522 N THR A 31 0.250 -7.728 -2.041 1.00 71.45 N ATOM 523 CA THR A 31 1.342 -7.352 -2.958 1.00 41.00 C ATOM 524 C THR A 31 0.795 -6.907 -4.327 1.00 60.43 C ATOM 525 O THR A 31 0.161 -7.694 -5.037 1.00 0.45 O ATOM 526 CB THR A 31 2.352 -8.541 -3.124 1.00 4.04 C ATOM 527 OG1 THR A 31 1.662 -9.719 -3.586 1.00 1.43 O ATOM 528 CG2 THR A 31 3.062 -8.866 -1.798 1.00 25.24 C ATOM 0 H THR A 31 0.136 -8.736 -1.930 1.00 71.45 H new ATOM 0 HA THR A 31 1.871 -6.505 -2.521 1.00 41.00 H new ATOM 0 HB THR A 31 3.100 -8.235 -3.856 1.00 4.04 H new ATOM 0 HG1 THR A 31 0.980 -9.463 -4.242 1.00 1.43 H new ATOM 0 HG21 THR A 31 3.754 -9.694 -1.949 1.00 25.24 H new ATOM 0 HG22 THR A 31 3.613 -7.990 -1.456 1.00 25.24 H new ATOM 0 HG23 THR A 31 2.322 -9.144 -1.048 1.00 25.24 H new ATOM 536 N VAL A 32 1.021 -5.630 -4.677 1.00 54.01 N ATOM 537 CA VAL A 32 0.612 -5.052 -5.956 1.00 31.22 C ATOM 538 C VAL A 32 1.827 -4.982 -6.906 1.00 32.42 C ATOM 539 O VAL A 32 2.829 -4.326 -6.603 1.00 35.32 O ATOM 540 CB VAL A 32 -0.003 -3.625 -5.724 1.00 51.53 C ATOM 541 CG1 VAL A 32 -0.378 -2.946 -7.050 1.00 25.53 C ATOM 542 CG2 VAL A 32 -1.215 -3.700 -4.762 1.00 2.22 C ATOM 0 H VAL A 32 1.499 -4.966 -4.068 1.00 54.01 H new ATOM 0 HA VAL A 32 -0.150 -5.682 -6.415 1.00 31.22 H new ATOM 0 HB VAL A 32 0.761 -3.006 -5.255 1.00 51.53 H new ATOM 0 HG11 VAL A 32 -0.800 -1.961 -6.848 1.00 25.53 H new ATOM 0 HG12 VAL A 32 0.513 -2.839 -7.669 1.00 25.53 H new ATOM 0 HG13 VAL A 32 -1.114 -3.555 -7.575 1.00 25.53 H new ATOM 0 HG21 VAL A 32 -1.625 -2.701 -4.615 1.00 2.22 H new ATOM 0 HG22 VAL A 32 -1.980 -4.347 -5.191 1.00 2.22 H new ATOM 0 HG23 VAL A 32 -0.893 -4.105 -3.802 1.00 2.22 H new ATOM 552 N LYS A 33 1.745 -5.698 -8.035 1.00 41.52 N ATOM 553 CA LYS A 33 2.811 -5.717 -9.057 1.00 62.22 C ATOM 554 C LYS A 33 2.587 -4.593 -10.089 1.00 23.54 C ATOM 555 O LYS A 33 3.533 -3.888 -10.476 1.00 73.13 O ATOM 556 CB LYS A 33 2.859 -7.113 -9.743 1.00 54.53 C ATOM 557 CG LYS A 33 3.134 -8.282 -8.761 1.00 14.45 C ATOM 558 CD LYS A 33 3.084 -9.679 -9.433 1.00 44.33 C ATOM 559 CE LYS A 33 4.220 -9.916 -10.440 1.00 21.42 C ATOM 560 NZ LYS A 33 4.081 -11.232 -11.132 1.00 61.23 N ATOM 0 H LYS A 33 0.941 -6.281 -8.270 1.00 41.52 H new ATOM 0 HA LYS A 33 3.773 -5.538 -8.576 1.00 62.22 H new ATOM 0 HB2 LYS A 33 1.911 -7.292 -10.250 1.00 54.53 H new ATOM 0 HB3 LYS A 33 3.634 -7.105 -10.510 1.00 54.53 H new ATOM 0 HG2 LYS A 33 4.115 -8.141 -8.306 1.00 14.45 H new ATOM 0 HG3 LYS A 33 2.401 -8.249 -7.955 1.00 14.45 H new ATOM 0 HD2 LYS A 33 3.128 -10.447 -8.660 1.00 44.33 H new ATOM 0 HD3 LYS A 33 2.127 -9.794 -9.943 1.00 44.33 H new ATOM 0 HE2 LYS A 33 4.224 -9.115 -11.179 1.00 21.42 H new ATOM 0 HE3 LYS A 33 5.179 -9.877 -9.923 1.00 21.42 H new ATOM 0 HZ1 LYS A 33 4.866 -11.356 -11.803 1.00 61.23 H new ATOM 0 HZ2 LYS A 33 4.103 -11.998 -10.429 1.00 61.23 H new ATOM 0 HZ3 LYS A 33 3.178 -11.260 -11.646 1.00 61.23 H new ATOM 574 N THR A 34 1.316 -4.432 -10.515 1.00 13.22 N ATOM 575 CA THR A 34 0.902 -3.423 -11.517 1.00 53.53 C ATOM 576 C THR A 34 -0.331 -2.640 -11.023 1.00 22.23 C ATOM 577 O THR A 34 -0.972 -3.028 -10.048 1.00 13.43 O ATOM 578 CB THR A 34 0.571 -4.079 -12.906 1.00 11.51 C ATOM 579 OG1 THR A 34 -0.499 -5.034 -12.757 1.00 20.22 O ATOM 580 CG2 THR A 34 1.798 -4.775 -13.530 1.00 65.31 C ATOM 0 H THR A 34 0.542 -5.001 -10.172 1.00 13.22 H new ATOM 0 HA THR A 34 1.744 -2.743 -11.647 1.00 53.53 H new ATOM 0 HB THR A 34 0.267 -3.276 -13.578 1.00 11.51 H new ATOM 0 HG1 THR A 34 -0.701 -5.437 -13.627 1.00 20.22 H new ATOM 0 HG21 THR A 34 1.519 -5.213 -14.488 1.00 65.31 H new ATOM 0 HG22 THR A 34 2.592 -4.044 -13.682 1.00 65.31 H new ATOM 0 HG23 THR A 34 2.150 -5.560 -12.861 1.00 65.31 H new ATOM 588 N GLU A 35 -0.670 -1.557 -11.740 1.00 54.13 N ATOM 589 CA GLU A 35 -1.800 -0.661 -11.404 1.00 72.15 C ATOM 590 C GLU A 35 -3.167 -1.390 -11.521 1.00 61.44 C ATOM 591 O GLU A 35 -4.144 -0.995 -10.887 1.00 71.53 O ATOM 592 CB GLU A 35 -1.770 0.622 -12.296 1.00 65.24 C ATOM 593 CG GLU A 35 -2.144 0.443 -13.791 1.00 73.24 C ATOM 594 CD GLU A 35 -1.269 -0.566 -14.565 1.00 0.11 C ATOM 595 OE1 GLU A 35 -0.091 -0.257 -14.837 1.00 74.42 O ATOM 596 OE2 GLU A 35 -1.750 -1.681 -14.882 1.00 71.50 O ATOM 0 H GLU A 35 -0.165 -1.271 -12.579 1.00 54.13 H new ATOM 0 HA GLU A 35 -1.684 -0.359 -10.363 1.00 72.15 H new ATOM 0 HB2 GLU A 35 -2.450 1.354 -11.861 1.00 65.24 H new ATOM 0 HB3 GLU A 35 -0.768 1.048 -12.245 1.00 65.24 H new ATOM 0 HG2 GLU A 35 -3.184 0.123 -13.854 1.00 73.24 H new ATOM 0 HG3 GLU A 35 -2.078 1.412 -14.285 1.00 73.24 H new ATOM 603 N ASP A 36 -3.216 -2.447 -12.357 1.00 61.24 N ATOM 604 CA ASP A 36 -4.390 -3.340 -12.482 1.00 44.45 C ATOM 605 C ASP A 36 -4.575 -4.203 -11.206 1.00 42.05 C ATOM 606 O ASP A 36 -5.712 -4.442 -10.774 1.00 52.03 O ATOM 607 CB ASP A 36 -4.242 -4.224 -13.743 1.00 51.10 C ATOM 608 CG ASP A 36 -5.475 -5.108 -14.015 1.00 11.42 C ATOM 609 OD1 ASP A 36 -6.483 -4.591 -14.549 1.00 61.10 O ATOM 610 OD2 ASP A 36 -5.443 -6.323 -13.704 1.00 72.24 O ATOM 0 H ASP A 36 -2.441 -2.708 -12.967 1.00 61.24 H new ATOM 0 HA ASP A 36 -5.286 -2.729 -12.589 1.00 44.45 H new ATOM 0 HB2 ASP A 36 -4.064 -3.585 -14.608 1.00 51.10 H new ATOM 0 HB3 ASP A 36 -3.364 -4.861 -13.631 1.00 51.10 H new ATOM 615 N GLU A 37 -3.446 -4.642 -10.602 1.00 0.03 N ATOM 616 CA GLU A 37 -3.461 -5.341 -9.290 1.00 2.30 C ATOM 617 C GLU A 37 -3.951 -4.384 -8.185 1.00 12.41 C ATOM 618 O GLU A 37 -4.639 -4.788 -7.243 1.00 63.41 O ATOM 619 CB GLU A 37 -2.057 -5.887 -8.915 1.00 71.45 C ATOM 620 CG GLU A 37 -1.409 -6.804 -9.968 1.00 32.25 C ATOM 621 CD GLU A 37 -2.236 -8.058 -10.314 1.00 21.51 C ATOM 622 OE1 GLU A 37 -2.511 -8.870 -9.407 1.00 13.53 O ATOM 623 OE2 GLU A 37 -2.577 -8.256 -11.501 1.00 23.53 O ATOM 0 H GLU A 37 -2.514 -4.526 -10.999 1.00 0.03 H new ATOM 0 HA GLU A 37 -4.143 -6.186 -9.377 1.00 2.30 H new ATOM 0 HB2 GLU A 37 -1.393 -5.042 -8.734 1.00 71.45 H new ATOM 0 HB3 GLU A 37 -2.137 -6.437 -7.977 1.00 71.45 H new ATOM 0 HG2 GLU A 37 -1.243 -6.230 -10.880 1.00 32.25 H new ATOM 0 HG3 GLU A 37 -0.430 -7.118 -9.606 1.00 32.25 H new ATOM 630 N LEU A 38 -3.591 -3.102 -8.342 1.00 54.52 N ATOM 631 CA LEU A 38 -3.996 -2.023 -7.431 1.00 3.33 C ATOM 632 C LEU A 38 -5.537 -1.904 -7.456 1.00 65.52 C ATOM 633 O LEU A 38 -6.177 -1.913 -6.407 1.00 5.04 O ATOM 634 CB LEU A 38 -3.270 -0.698 -7.860 1.00 70.44 C ATOM 635 CG LEU A 38 -3.119 0.456 -6.810 1.00 74.42 C ATOM 636 CD1 LEU A 38 -4.421 1.246 -6.581 1.00 41.11 C ATOM 637 CD2 LEU A 38 -2.544 -0.084 -5.482 1.00 21.25 C ATOM 0 H LEU A 38 -3.005 -2.782 -9.113 1.00 54.52 H new ATOM 0 HA LEU A 38 -3.703 -2.234 -6.402 1.00 3.33 H new ATOM 0 HB2 LEU A 38 -2.270 -0.966 -8.202 1.00 70.44 H new ATOM 0 HB3 LEU A 38 -3.803 -0.293 -8.720 1.00 70.44 H new ATOM 0 HG LEU A 38 -2.410 1.169 -7.231 1.00 74.42 H new ATOM 0 HD11 LEU A 38 -4.246 2.029 -5.843 1.00 41.11 H new ATOM 0 HD12 LEU A 38 -4.743 1.697 -7.520 1.00 41.11 H new ATOM 0 HD13 LEU A 38 -5.197 0.572 -6.218 1.00 41.11 H new ATOM 0 HD21 LEU A 38 -2.448 0.734 -4.768 1.00 21.25 H new ATOM 0 HD22 LEU A 38 -3.214 -0.842 -5.077 1.00 21.25 H new ATOM 0 HD23 LEU A 38 -1.564 -0.525 -5.663 1.00 21.25 H new ATOM 649 N LYS A 39 -6.104 -1.892 -8.682 1.00 32.12 N ATOM 650 CA LYS A 39 -7.562 -1.806 -8.923 1.00 33.40 C ATOM 651 C LYS A 39 -8.332 -2.994 -8.305 1.00 22.34 C ATOM 652 O LYS A 39 -9.336 -2.784 -7.618 1.00 24.43 O ATOM 653 CB LYS A 39 -7.849 -1.749 -10.448 1.00 43.33 C ATOM 654 CG LYS A 39 -7.330 -0.486 -11.170 1.00 22.45 C ATOM 655 CD LYS A 39 -7.415 -0.604 -12.714 1.00 64.32 C ATOM 656 CE LYS A 39 -8.845 -0.870 -13.218 1.00 24.30 C ATOM 657 NZ LYS A 39 -8.887 -1.120 -14.684 1.00 20.02 N ATOM 0 H LYS A 39 -5.557 -1.942 -9.541 1.00 32.12 H new ATOM 0 HA LYS A 39 -7.910 -0.894 -8.439 1.00 33.40 H new ATOM 0 HB2 LYS A 39 -7.403 -2.625 -10.918 1.00 43.33 H new ATOM 0 HB3 LYS A 39 -8.926 -1.819 -10.601 1.00 43.33 H new ATOM 0 HG2 LYS A 39 -7.908 0.378 -10.843 1.00 22.45 H new ATOM 0 HG3 LYS A 39 -6.295 -0.305 -10.880 1.00 22.45 H new ATOM 0 HD2 LYS A 39 -7.042 0.316 -13.164 1.00 64.32 H new ATOM 0 HD3 LYS A 39 -6.762 -1.410 -13.048 1.00 64.32 H new ATOM 0 HE2 LYS A 39 -9.259 -1.730 -12.692 1.00 24.30 H new ATOM 0 HE3 LYS A 39 -9.478 -0.015 -12.979 1.00 24.30 H new ATOM 0 HZ1 LYS A 39 -9.869 -1.294 -14.978 1.00 20.02 H new ATOM 0 HZ2 LYS A 39 -8.516 -0.290 -15.189 1.00 20.02 H new ATOM 0 HZ3 LYS A 39 -8.305 -1.951 -14.911 1.00 20.02 H new ATOM 671 N LYS A 40 -7.847 -4.235 -8.555 1.00 35.44 N ATOM 672 CA LYS A 40 -8.534 -5.474 -8.106 1.00 43.30 C ATOM 673 C LYS A 40 -8.591 -5.537 -6.566 1.00 42.24 C ATOM 674 O LYS A 40 -9.572 -6.018 -5.986 1.00 33.50 O ATOM 675 CB LYS A 40 -7.846 -6.759 -8.687 1.00 44.31 C ATOM 676 CG LYS A 40 -6.562 -7.214 -7.952 1.00 73.35 C ATOM 677 CD LYS A 40 -5.758 -8.310 -8.683 1.00 65.53 C ATOM 678 CE LYS A 40 -6.506 -9.640 -8.854 1.00 24.12 C ATOM 679 NZ LYS A 40 -5.634 -10.664 -9.507 1.00 64.21 N ATOM 0 H LYS A 40 -6.981 -4.406 -9.066 1.00 35.44 H new ATOM 0 HA LYS A 40 -9.553 -5.443 -8.491 1.00 43.30 H new ATOM 0 HB2 LYS A 40 -8.566 -7.577 -8.666 1.00 44.31 H new ATOM 0 HB3 LYS A 40 -7.600 -6.578 -9.733 1.00 44.31 H new ATOM 0 HG2 LYS A 40 -5.918 -6.347 -7.803 1.00 73.35 H new ATOM 0 HG3 LYS A 40 -6.836 -7.581 -6.963 1.00 73.35 H new ATOM 0 HD2 LYS A 40 -5.473 -7.939 -9.667 1.00 65.53 H new ATOM 0 HD3 LYS A 40 -4.835 -8.494 -8.133 1.00 65.53 H new ATOM 0 HE2 LYS A 40 -6.835 -10.004 -7.881 1.00 24.12 H new ATOM 0 HE3 LYS A 40 -7.402 -9.483 -9.455 1.00 24.12 H new ATOM 0 HZ1 LYS A 40 -6.162 -11.554 -9.611 1.00 64.21 H new ATOM 0 HZ2 LYS A 40 -5.341 -10.323 -10.445 1.00 64.21 H new ATOM 0 HZ3 LYS A 40 -4.792 -10.828 -8.920 1.00 64.21 H new ATOM 693 N TYR A 41 -7.518 -5.028 -5.922 1.00 24.13 N ATOM 694 CA TYR A 41 -7.432 -4.958 -4.457 1.00 24.13 C ATOM 695 C TYR A 41 -8.298 -3.829 -3.888 1.00 23.44 C ATOM 696 O TYR A 41 -8.804 -3.955 -2.778 1.00 24.23 O ATOM 697 CB TYR A 41 -5.956 -4.846 -3.985 1.00 44.41 C ATOM 698 CG TYR A 41 -5.201 -6.185 -4.047 1.00 25.32 C ATOM 699 CD1 TYR A 41 -5.768 -7.327 -3.486 1.00 31.20 C ATOM 700 CD2 TYR A 41 -3.942 -6.321 -4.645 1.00 32.33 C ATOM 701 CE1 TYR A 41 -5.128 -8.541 -3.519 1.00 70.22 C ATOM 702 CE2 TYR A 41 -3.291 -7.544 -4.679 1.00 74.22 C ATOM 703 CZ TYR A 41 -3.896 -8.651 -4.112 1.00 64.52 C ATOM 704 OH TYR A 41 -3.276 -9.880 -4.149 1.00 34.21 O ATOM 0 H TYR A 41 -6.697 -4.659 -6.403 1.00 24.13 H new ATOM 0 HA TYR A 41 -7.832 -5.892 -4.062 1.00 24.13 H new ATOM 0 HB2 TYR A 41 -5.437 -4.114 -4.604 1.00 44.41 H new ATOM 0 HB3 TYR A 41 -5.935 -4.471 -2.962 1.00 44.41 H new ATOM 0 HD1 TYR A 41 -6.736 -7.255 -3.013 1.00 31.20 H new ATOM 0 HD2 TYR A 41 -3.470 -5.457 -5.088 1.00 32.33 H new ATOM 0 HE1 TYR A 41 -5.595 -9.410 -3.078 1.00 70.22 H new ATOM 0 HE2 TYR A 41 -2.320 -7.632 -5.144 1.00 74.22 H new ATOM 0 HH TYR A 41 -2.411 -9.797 -4.602 1.00 34.21 H new ATOM 714 N LEU A 42 -8.482 -2.739 -4.653 1.00 74.35 N ATOM 715 CA LEU A 42 -9.422 -1.662 -4.276 1.00 30.14 C ATOM 716 C LEU A 42 -10.876 -2.202 -4.234 1.00 43.43 C ATOM 717 O LEU A 42 -11.588 -1.993 -3.251 1.00 1.03 O ATOM 718 CB LEU A 42 -9.319 -0.447 -5.245 1.00 34.54 C ATOM 719 CG LEU A 42 -7.980 0.359 -5.223 1.00 61.42 C ATOM 720 CD1 LEU A 42 -7.989 1.480 -6.282 1.00 21.14 C ATOM 721 CD2 LEU A 42 -7.657 0.918 -3.813 1.00 23.14 C ATOM 0 H LEU A 42 -7.995 -2.578 -5.535 1.00 74.35 H new ATOM 0 HA LEU A 42 -9.147 -1.315 -3.280 1.00 30.14 H new ATOM 0 HB2 LEU A 42 -9.482 -0.807 -6.261 1.00 34.54 H new ATOM 0 HB3 LEU A 42 -10.133 0.240 -5.016 1.00 34.54 H new ATOM 0 HG LEU A 42 -7.182 -0.338 -5.477 1.00 61.42 H new ATOM 0 HD11 LEU A 42 -7.045 2.024 -6.244 1.00 21.14 H new ATOM 0 HD12 LEU A 42 -8.117 1.044 -7.273 1.00 21.14 H new ATOM 0 HD13 LEU A 42 -8.812 2.166 -6.079 1.00 21.14 H new ATOM 0 HD21 LEU A 42 -6.718 1.470 -3.847 1.00 23.14 H new ATOM 0 HD22 LEU A 42 -8.458 1.584 -3.493 1.00 23.14 H new ATOM 0 HD23 LEU A 42 -7.567 0.093 -3.106 1.00 23.14 H new ATOM 733 N GLU A 43 -11.267 -2.950 -5.290 1.00 5.35 N ATOM 734 CA GLU A 43 -12.621 -3.554 -5.421 1.00 51.32 C ATOM 735 C GLU A 43 -12.880 -4.567 -4.291 1.00 61.30 C ATOM 736 O GLU A 43 -13.992 -4.650 -3.750 1.00 3.22 O ATOM 737 CB GLU A 43 -12.759 -4.249 -6.799 1.00 30.13 C ATOM 738 CG GLU A 43 -12.608 -3.301 -8.000 1.00 24.45 C ATOM 739 CD GLU A 43 -12.584 -4.042 -9.344 1.00 32.33 C ATOM 740 OE1 GLU A 43 -11.521 -4.583 -9.716 1.00 35.33 O ATOM 741 OE2 GLU A 43 -13.629 -4.095 -10.034 1.00 52.21 O ATOM 0 H GLU A 43 -10.654 -3.155 -6.079 1.00 5.35 H new ATOM 0 HA GLU A 43 -13.362 -2.758 -5.345 1.00 51.32 H new ATOM 0 HB2 GLU A 43 -12.008 -5.035 -6.874 1.00 30.13 H new ATOM 0 HB3 GLU A 43 -13.734 -4.734 -6.853 1.00 30.13 H new ATOM 0 HG2 GLU A 43 -13.431 -2.587 -7.999 1.00 24.45 H new ATOM 0 HG3 GLU A 43 -11.688 -2.727 -7.890 1.00 24.45 H new ATOM 748 N GLU A 44 -11.813 -5.307 -3.949 1.00 33.34 N ATOM 749 CA GLU A 44 -11.780 -6.261 -2.834 1.00 52.13 C ATOM 750 C GLU A 44 -12.081 -5.533 -1.508 1.00 1.11 C ATOM 751 O GLU A 44 -12.947 -5.954 -0.734 1.00 62.44 O ATOM 752 CB GLU A 44 -10.380 -6.945 -2.811 1.00 72.15 C ATOM 753 CG GLU A 44 -10.152 -7.984 -1.702 1.00 44.33 C ATOM 754 CD GLU A 44 -8.759 -8.636 -1.774 1.00 41.25 C ATOM 755 OE1 GLU A 44 -8.574 -9.590 -2.566 1.00 71.22 O ATOM 756 OE2 GLU A 44 -7.844 -8.206 -1.043 1.00 40.12 O ATOM 0 H GLU A 44 -10.928 -5.255 -4.454 1.00 33.34 H new ATOM 0 HA GLU A 44 -12.544 -7.028 -2.963 1.00 52.13 H new ATOM 0 HB2 GLU A 44 -10.220 -7.430 -3.774 1.00 72.15 H new ATOM 0 HB3 GLU A 44 -9.621 -6.169 -2.715 1.00 72.15 H new ATOM 0 HG2 GLU A 44 -10.274 -7.505 -0.731 1.00 44.33 H new ATOM 0 HG3 GLU A 44 -10.915 -8.759 -1.774 1.00 44.33 H new ATOM 763 N PHE A 45 -11.395 -4.399 -1.299 1.00 21.21 N ATOM 764 CA PHE A 45 -11.516 -3.590 -0.069 1.00 11.24 C ATOM 765 C PHE A 45 -12.842 -2.825 0.021 1.00 72.14 C ATOM 766 O PHE A 45 -13.213 -2.366 1.097 1.00 70.41 O ATOM 767 CB PHE A 45 -10.322 -2.611 0.040 1.00 4.21 C ATOM 768 CG PHE A 45 -8.948 -3.281 0.145 1.00 63.04 C ATOM 769 CD1 PHE A 45 -8.808 -4.652 0.416 1.00 32.51 C ATOM 770 CD2 PHE A 45 -7.794 -2.535 -0.052 1.00 10.04 C ATOM 771 CE1 PHE A 45 -7.563 -5.234 0.483 1.00 22.53 C ATOM 772 CE2 PHE A 45 -6.557 -3.123 0.016 1.00 62.23 C ATOM 773 CZ PHE A 45 -6.439 -4.470 0.280 1.00 44.04 C ATOM 0 H PHE A 45 -10.738 -4.013 -1.978 1.00 21.21 H new ATOM 0 HA PHE A 45 -11.502 -4.286 0.770 1.00 11.24 H new ATOM 0 HB2 PHE A 45 -10.326 -1.957 -0.832 1.00 4.21 H new ATOM 0 HB3 PHE A 45 -10.469 -1.977 0.914 1.00 4.21 H new ATOM 0 HD1 PHE A 45 -9.689 -5.257 0.574 1.00 32.51 H new ATOM 0 HD2 PHE A 45 -7.871 -1.478 -0.261 1.00 10.04 H new ATOM 0 HE1 PHE A 45 -7.469 -6.289 0.695 1.00 22.53 H new ATOM 0 HE2 PHE A 45 -5.670 -2.527 -0.138 1.00 62.23 H new ATOM 0 HZ PHE A 45 -5.461 -4.926 0.327 1.00 44.04 H new ATOM 783 N ARG A 46 -13.537 -2.674 -1.115 1.00 41.03 N ATOM 784 CA ARG A 46 -14.876 -2.054 -1.162 1.00 24.33 C ATOM 785 C ARG A 46 -15.935 -3.008 -0.571 1.00 22.03 C ATOM 786 O ARG A 46 -16.883 -2.567 0.097 1.00 42.31 O ATOM 787 CB ARG A 46 -15.234 -1.649 -2.614 1.00 4.23 C ATOM 788 CG ARG A 46 -14.381 -0.490 -3.165 1.00 24.54 C ATOM 789 CD ARG A 46 -14.632 -0.205 -4.651 1.00 12.13 C ATOM 790 NE ARG A 46 -16.035 0.138 -4.922 1.00 32.12 N ATOM 791 CZ ARG A 46 -16.510 0.563 -6.101 1.00 55.44 C ATOM 792 NH1 ARG A 46 -15.709 0.713 -7.157 1.00 12.00 N ATOM 793 NH2 ARG A 46 -17.797 0.833 -6.220 1.00 30.41 N ATOM 0 H ARG A 46 -13.192 -2.976 -2.026 1.00 41.03 H new ATOM 0 HA ARG A 46 -14.864 -1.150 -0.554 1.00 24.33 H new ATOM 0 HB2 ARG A 46 -15.114 -2.516 -3.263 1.00 4.23 H new ATOM 0 HB3 ARG A 46 -16.285 -1.364 -2.653 1.00 4.23 H new ATOM 0 HG2 ARG A 46 -14.590 0.411 -2.589 1.00 24.54 H new ATOM 0 HG3 ARG A 46 -13.326 -0.724 -3.020 1.00 24.54 H new ATOM 0 HD2 ARG A 46 -13.990 0.614 -4.975 1.00 12.13 H new ATOM 0 HD3 ARG A 46 -14.354 -1.080 -5.239 1.00 12.13 H new ATOM 0 HE ARG A 46 -16.699 0.045 -4.153 1.00 32.12 H new ATOM 0 HH11 ARG A 46 -14.714 0.503 -7.076 1.00 12.00 H new ATOM 0 HH12 ARG A 46 -16.091 1.038 -8.045 1.00 12.00 H new ATOM 0 HH21 ARG A 46 -18.418 0.717 -5.419 1.00 30.41 H new ATOM 0 HH22 ARG A 46 -18.170 1.157 -7.112 1.00 30.41 H new ATOM 807 N LYS A 47 -15.727 -4.325 -0.777 1.00 14.14 N ATOM 808 CA LYS A 47 -16.609 -5.387 -0.228 1.00 3.35 C ATOM 809 C LYS A 47 -16.612 -5.348 1.319 1.00 45.12 C ATOM 810 O LYS A 47 -17.609 -5.680 1.964 1.00 33.41 O ATOM 811 CB LYS A 47 -16.147 -6.787 -0.734 1.00 24.02 C ATOM 812 CG LYS A 47 -16.015 -6.892 -2.272 1.00 24.31 C ATOM 813 CD LYS A 47 -15.512 -8.272 -2.760 1.00 75.45 C ATOM 814 CE LYS A 47 -16.474 -9.426 -2.424 1.00 75.33 C ATOM 815 NZ LYS A 47 -16.010 -10.721 -2.998 1.00 12.02 N ATOM 0 H LYS A 47 -14.947 -4.686 -1.326 1.00 14.14 H new ATOM 0 HA LYS A 47 -17.625 -5.206 -0.578 1.00 3.35 H new ATOM 0 HB2 LYS A 47 -15.185 -7.026 -0.281 1.00 24.02 H new ATOM 0 HB3 LYS A 47 -16.857 -7.538 -0.389 1.00 24.02 H new ATOM 0 HG2 LYS A 47 -16.985 -6.687 -2.726 1.00 24.31 H new ATOM 0 HG3 LYS A 47 -15.330 -6.120 -2.623 1.00 24.31 H new ATOM 0 HD2 LYS A 47 -15.363 -8.235 -3.839 1.00 75.45 H new ATOM 0 HD3 LYS A 47 -14.540 -8.476 -2.311 1.00 75.45 H new ATOM 0 HE2 LYS A 47 -16.564 -9.520 -1.342 1.00 75.33 H new ATOM 0 HE3 LYS A 47 -17.467 -9.194 -2.808 1.00 75.33 H new ATOM 0 HZ1 LYS A 47 -16.685 -11.472 -2.749 1.00 12.02 H new ATOM 0 HZ2 LYS A 47 -15.948 -10.640 -4.033 1.00 12.02 H new ATOM 0 HZ3 LYS A 47 -15.073 -10.956 -2.613 1.00 12.02 H new ATOM 829 N GLU A 48 -15.483 -4.880 1.878 1.00 61.22 N ATOM 830 CA GLU A 48 -15.225 -4.813 3.325 1.00 11.01 C ATOM 831 C GLU A 48 -14.914 -3.353 3.747 1.00 14.22 C ATOM 832 O GLU A 48 -14.257 -3.121 4.769 1.00 1.20 O ATOM 833 CB GLU A 48 -14.033 -5.762 3.637 1.00 13.14 C ATOM 834 CG GLU A 48 -12.723 -5.393 2.890 1.00 61.20 C ATOM 835 CD GLU A 48 -11.587 -6.412 3.061 1.00 41.04 C ATOM 836 OE1 GLU A 48 -11.291 -6.780 4.210 1.00 64.52 O ATOM 837 OE2 GLU A 48 -10.986 -6.850 2.049 1.00 60.12 O ATOM 0 H GLU A 48 -14.705 -4.529 1.320 1.00 61.22 H new ATOM 0 HA GLU A 48 -16.102 -5.129 3.891 1.00 11.01 H new ATOM 0 HB2 GLU A 48 -13.843 -5.750 4.710 1.00 13.14 H new ATOM 0 HB3 GLU A 48 -14.315 -6.782 3.374 1.00 13.14 H new ATOM 0 HG2 GLU A 48 -12.942 -5.287 1.828 1.00 61.20 H new ATOM 0 HG3 GLU A 48 -12.379 -4.421 3.243 1.00 61.20 H new ATOM 844 N SER A 49 -15.456 -2.378 2.973 1.00 11.04 N ATOM 845 CA SER A 49 -15.155 -0.924 3.123 1.00 42.30 C ATOM 846 C SER A 49 -15.469 -0.333 4.521 1.00 44.20 C ATOM 847 O SER A 49 -15.001 0.771 4.838 1.00 13.03 O ATOM 848 CB SER A 49 -15.904 -0.131 2.024 1.00 2.42 C ATOM 849 OG SER A 49 -17.293 -0.446 2.002 1.00 63.52 O ATOM 0 H SER A 49 -16.118 -2.576 2.223 1.00 11.04 H new ATOM 0 HA SER A 49 -14.075 -0.826 3.011 1.00 42.30 H new ATOM 0 HB2 SER A 49 -15.776 0.938 2.195 1.00 2.42 H new ATOM 0 HB3 SER A 49 -15.465 -0.353 1.051 1.00 2.42 H new ATOM 0 HG SER A 49 -17.452 -1.180 1.373 1.00 63.52 H new ATOM 855 N GLN A 50 -16.250 -1.063 5.332 1.00 61.24 N ATOM 856 CA GLN A 50 -16.618 -0.640 6.697 1.00 42.51 C ATOM 857 C GLN A 50 -15.372 -0.462 7.616 1.00 52.03 C ATOM 858 O GLN A 50 -14.688 -1.429 7.955 1.00 63.22 O ATOM 859 CB GLN A 50 -17.713 -1.595 7.294 1.00 61.15 C ATOM 860 CG GLN A 50 -17.586 -3.119 7.005 1.00 22.33 C ATOM 861 CD GLN A 50 -16.633 -3.880 7.926 1.00 72.43 C ATOM 862 OE1 GLN A 50 -17.025 -4.350 8.993 1.00 34.51 O ATOM 863 NE2 GLN A 50 -15.387 -4.017 7.525 1.00 31.14 N ATOM 0 H GLN A 50 -16.646 -1.964 5.062 1.00 61.24 H new ATOM 0 HA GLN A 50 -17.065 0.352 6.640 1.00 42.51 H new ATOM 0 HB2 GLN A 50 -17.721 -1.459 8.375 1.00 61.15 H new ATOM 0 HB3 GLN A 50 -18.683 -1.264 6.924 1.00 61.15 H new ATOM 0 HG2 GLN A 50 -18.575 -3.570 7.080 1.00 22.33 H new ATOM 0 HG3 GLN A 50 -17.253 -3.251 5.976 1.00 22.33 H new ATOM 0 HE21 GLN A 50 -15.091 -3.616 6.635 1.00 31.14 H new ATOM 0 HE22 GLN A 50 -14.718 -4.524 8.104 1.00 31.14 H new ATOM 872 N ASN A 51 -15.079 0.823 7.954 1.00 72.05 N ATOM 873 CA ASN A 51 -13.950 1.235 8.827 1.00 13.22 C ATOM 874 C ASN A 51 -12.591 0.770 8.276 1.00 13.32 C ATOM 875 O ASN A 51 -11.736 0.290 9.030 1.00 33.23 O ATOM 876 CB ASN A 51 -14.150 0.740 10.295 1.00 23.44 C ATOM 877 CG ASN A 51 -15.270 1.464 11.038 1.00 51.41 C ATOM 878 OD1 ASN A 51 -15.034 2.486 11.684 1.00 4.43 O ATOM 879 ND2 ASN A 51 -16.489 0.947 10.956 1.00 44.11 N ATOM 0 H ASN A 51 -15.631 1.613 7.621 1.00 72.05 H new ATOM 0 HA ASN A 51 -13.944 2.325 8.834 1.00 13.22 H new ATOM 0 HB2 ASN A 51 -14.365 -0.328 10.283 1.00 23.44 H new ATOM 0 HB3 ASN A 51 -13.217 0.871 10.844 1.00 23.44 H new ATOM 0 HD21 ASN A 51 -17.267 1.397 11.437 1.00 44.11 H new ATOM 0 HD22 ASN A 51 -16.648 0.099 10.412 1.00 44.11 H new ATOM 886 N ILE A 52 -12.371 0.939 6.963 1.00 30.34 N ATOM 887 CA ILE A 52 -11.119 0.498 6.322 1.00 34.24 C ATOM 888 C ILE A 52 -10.220 1.713 6.025 1.00 14.43 C ATOM 889 O ILE A 52 -10.706 2.809 5.699 1.00 73.11 O ATOM 890 CB ILE A 52 -11.372 -0.348 5.009 1.00 63.11 C ATOM 891 CG1 ILE A 52 -10.129 -1.244 4.674 1.00 31.02 C ATOM 892 CG2 ILE A 52 -11.734 0.555 3.803 1.00 1.42 C ATOM 893 CD1 ILE A 52 -10.387 -2.327 3.641 1.00 73.54 C ATOM 0 H ILE A 52 -13.038 1.375 6.326 1.00 30.34 H new ATOM 0 HA ILE A 52 -10.611 -0.163 7.024 1.00 34.24 H new ATOM 0 HB ILE A 52 -12.226 -0.997 5.202 1.00 63.11 H new ATOM 0 HG12 ILE A 52 -9.323 -0.604 4.316 1.00 31.02 H new ATOM 0 HG13 ILE A 52 -9.779 -1.714 5.593 1.00 31.02 H new ATOM 0 HG21 ILE A 52 -11.900 -0.064 2.922 1.00 1.42 H new ATOM 0 HG22 ILE A 52 -12.641 1.116 4.028 1.00 1.42 H new ATOM 0 HG23 ILE A 52 -10.916 1.249 3.610 1.00 1.42 H new ATOM 0 HD11 ILE A 52 -9.472 -2.895 3.474 1.00 73.54 H new ATOM 0 HD12 ILE A 52 -11.169 -2.995 4.002 1.00 73.54 H new ATOM 0 HD13 ILE A 52 -10.706 -1.868 2.705 1.00 73.54 H new ATOM 905 N LYS A 53 -8.917 1.517 6.218 1.00 60.02 N ATOM 906 CA LYS A 53 -7.869 2.463 5.839 1.00 32.32 C ATOM 907 C LYS A 53 -6.832 1.661 5.054 1.00 12.34 C ATOM 908 O LYS A 53 -6.435 0.568 5.482 1.00 2.04 O ATOM 909 CB LYS A 53 -7.205 3.156 7.076 1.00 32.33 C ATOM 910 CG LYS A 53 -8.015 4.305 7.728 1.00 43.15 C ATOM 911 CD LYS A 53 -9.246 3.847 8.536 1.00 72.23 C ATOM 912 CE LYS A 53 -10.139 5.018 8.982 1.00 42.11 C ATOM 913 NZ LYS A 53 -10.685 5.786 7.831 1.00 1.51 N ATOM 0 H LYS A 53 -8.551 0.671 6.655 1.00 60.02 H new ATOM 0 HA LYS A 53 -8.297 3.271 5.246 1.00 32.32 H new ATOM 0 HB2 LYS A 53 -7.015 2.396 7.834 1.00 32.33 H new ATOM 0 HB3 LYS A 53 -6.236 3.550 6.770 1.00 32.33 H new ATOM 0 HG2 LYS A 53 -7.354 4.869 8.386 1.00 43.15 H new ATOM 0 HG3 LYS A 53 -8.345 4.989 6.946 1.00 43.15 H new ATOM 0 HD2 LYS A 53 -9.835 3.157 7.931 1.00 72.23 H new ATOM 0 HD3 LYS A 53 -8.913 3.296 9.415 1.00 72.23 H new ATOM 0 HE2 LYS A 53 -10.963 4.634 9.583 1.00 42.11 H new ATOM 0 HE3 LYS A 53 -9.563 5.687 9.621 1.00 42.11 H new ATOM 0 HZ1 LYS A 53 -11.306 6.542 8.182 1.00 1.51 H new ATOM 0 HZ2 LYS A 53 -9.902 6.205 7.290 1.00 1.51 H new ATOM 0 HZ3 LYS A 53 -11.229 5.149 7.215 1.00 1.51 H new ATOM 927 N VAL A 54 -6.438 2.180 3.888 1.00 23.33 N ATOM 928 CA VAL A 54 -5.449 1.537 3.005 1.00 23.24 C ATOM 929 C VAL A 54 -4.188 2.419 2.903 1.00 53.23 C ATOM 930 O VAL A 54 -4.287 3.643 2.871 1.00 65.53 O ATOM 931 CB VAL A 54 -6.063 1.275 1.578 1.00 14.13 C ATOM 932 CG1 VAL A 54 -5.070 0.534 0.652 1.00 45.04 C ATOM 933 CG2 VAL A 54 -7.416 0.524 1.687 1.00 74.51 C ATOM 0 H VAL A 54 -6.796 3.063 3.524 1.00 23.33 H new ATOM 0 HA VAL A 54 -5.171 0.573 3.432 1.00 23.24 H new ATOM 0 HB VAL A 54 -6.257 2.244 1.119 1.00 14.13 H new ATOM 0 HG11 VAL A 54 -5.532 0.373 -0.322 1.00 45.04 H new ATOM 0 HG12 VAL A 54 -4.168 1.134 0.531 1.00 45.04 H new ATOM 0 HG13 VAL A 54 -4.809 -0.428 1.094 1.00 45.04 H new ATOM 0 HG21 VAL A 54 -7.820 0.355 0.689 1.00 74.51 H new ATOM 0 HG22 VAL A 54 -7.261 -0.434 2.183 1.00 74.51 H new ATOM 0 HG23 VAL A 54 -8.119 1.123 2.266 1.00 74.51 H new ATOM 943 N LEU A 55 -3.010 1.779 2.901 1.00 55.12 N ATOM 944 CA LEU A 55 -1.708 2.451 2.755 1.00 70.55 C ATOM 945 C LEU A 55 -1.001 1.908 1.505 1.00 73.24 C ATOM 946 O LEU A 55 -0.496 0.784 1.520 1.00 73.31 O ATOM 947 CB LEU A 55 -0.840 2.185 4.015 1.00 61.41 C ATOM 948 CG LEU A 55 0.602 2.792 4.000 1.00 33.24 C ATOM 949 CD1 LEU A 55 0.599 4.329 4.109 1.00 52.35 C ATOM 950 CD2 LEU A 55 1.486 2.134 5.075 1.00 73.15 C ATOM 0 H LEU A 55 -2.932 0.767 3.002 1.00 55.12 H new ATOM 0 HA LEU A 55 -1.856 3.526 2.650 1.00 70.55 H new ATOM 0 HB2 LEU A 55 -1.368 2.577 4.884 1.00 61.41 H new ATOM 0 HB3 LEU A 55 -0.757 1.107 4.153 1.00 61.41 H new ATOM 0 HG LEU A 55 1.038 2.565 3.027 1.00 33.24 H new ATOM 0 HD11 LEU A 55 1.625 4.697 4.094 1.00 52.35 H new ATOM 0 HD12 LEU A 55 0.049 4.752 3.268 1.00 52.35 H new ATOM 0 HD13 LEU A 55 0.121 4.627 5.042 1.00 52.35 H new ATOM 0 HD21 LEU A 55 2.483 2.573 5.045 1.00 73.15 H new ATOM 0 HD22 LEU A 55 1.047 2.299 6.059 1.00 73.15 H new ATOM 0 HD23 LEU A 55 1.555 1.063 4.884 1.00 73.15 H new ATOM 962 N ILE A 56 -0.973 2.701 0.428 1.00 2.11 N ATOM 963 CA ILE A 56 -0.328 2.300 -0.831 1.00 11.44 C ATOM 964 C ILE A 56 1.113 2.856 -0.861 1.00 3.53 C ATOM 965 O ILE A 56 1.298 4.073 -0.906 1.00 42.12 O ATOM 966 CB ILE A 56 -1.133 2.780 -2.109 1.00 20.32 C ATOM 967 CG1 ILE A 56 -2.593 2.222 -2.098 1.00 12.51 C ATOM 968 CG2 ILE A 56 -0.403 2.355 -3.407 1.00 73.52 C ATOM 969 CD1 ILE A 56 -3.484 2.699 -3.241 1.00 41.20 C ATOM 0 H ILE A 56 -1.392 3.631 0.402 1.00 2.11 H new ATOM 0 HA ILE A 56 -0.312 1.211 -0.866 1.00 11.44 H new ATOM 0 HB ILE A 56 -1.186 3.868 -2.080 1.00 20.32 H new ATOM 0 HG12 ILE A 56 -2.548 1.133 -2.125 1.00 12.51 H new ATOM 0 HG13 ILE A 56 -3.063 2.498 -1.154 1.00 12.51 H new ATOM 0 HG21 ILE A 56 -0.972 2.694 -4.272 1.00 73.52 H new ATOM 0 HG22 ILE A 56 0.591 2.802 -3.429 1.00 73.52 H new ATOM 0 HG23 ILE A 56 -0.313 1.269 -3.435 1.00 73.52 H new ATOM 0 HD11 ILE A 56 -4.474 2.254 -3.140 1.00 41.20 H new ATOM 0 HD12 ILE A 56 -3.569 3.785 -3.207 1.00 41.20 H new ATOM 0 HD13 ILE A 56 -3.046 2.399 -4.193 1.00 41.20 H new ATOM 981 N LEU A 57 2.127 1.956 -0.810 1.00 60.00 N ATOM 982 CA LEU A 57 3.547 2.345 -0.958 1.00 72.21 C ATOM 983 C LEU A 57 3.966 2.027 -2.383 1.00 75.25 C ATOM 984 O LEU A 57 4.070 0.856 -2.751 1.00 41.53 O ATOM 985 CB LEU A 57 4.496 1.604 0.037 1.00 3.11 C ATOM 986 CG LEU A 57 4.253 1.833 1.564 1.00 25.25 C ATOM 987 CD1 LEU A 57 3.989 3.320 1.887 1.00 72.52 C ATOM 988 CD2 LEU A 57 3.141 0.913 2.097 1.00 11.11 C ATOM 0 H LEU A 57 1.984 0.956 -0.667 1.00 60.00 H new ATOM 0 HA LEU A 57 3.633 3.408 -0.732 1.00 72.21 H new ATOM 0 HB2 LEU A 57 4.422 0.534 -0.160 1.00 3.11 H new ATOM 0 HB3 LEU A 57 5.520 1.900 -0.190 1.00 3.11 H new ATOM 0 HG LEU A 57 5.170 1.562 2.087 1.00 25.25 H new ATOM 0 HD11 LEU A 57 3.825 3.436 2.958 1.00 72.52 H new ATOM 0 HD12 LEU A 57 4.850 3.916 1.585 1.00 72.52 H new ATOM 0 HD13 LEU A 57 3.105 3.659 1.346 1.00 72.52 H new ATOM 0 HD21 LEU A 57 2.996 1.096 3.162 1.00 11.11 H new ATOM 0 HD22 LEU A 57 2.213 1.118 1.564 1.00 11.11 H new ATOM 0 HD23 LEU A 57 3.425 -0.128 1.944 1.00 11.11 H new ATOM 1000 N VAL A 58 4.227 3.067 -3.161 1.00 20.24 N ATOM 1001 CA VAL A 58 4.508 2.946 -4.594 1.00 30.12 C ATOM 1002 C VAL A 58 6.022 2.997 -4.860 1.00 60.22 C ATOM 1003 O VAL A 58 6.796 3.465 -4.018 1.00 1.25 O ATOM 1004 CB VAL A 58 3.781 4.081 -5.387 1.00 54.34 C ATOM 1005 CG1 VAL A 58 2.259 4.080 -5.115 1.00 33.43 C ATOM 1006 CG2 VAL A 58 4.393 5.454 -5.084 1.00 24.04 C ATOM 0 H VAL A 58 4.251 4.028 -2.819 1.00 20.24 H new ATOM 0 HA VAL A 58 4.132 1.981 -4.935 1.00 30.12 H new ATOM 0 HB VAL A 58 3.926 3.877 -6.448 1.00 54.34 H new ATOM 0 HG11 VAL A 58 1.787 4.882 -5.683 1.00 33.43 H new ATOM 0 HG12 VAL A 58 1.836 3.123 -5.419 1.00 33.43 H new ATOM 0 HG13 VAL A 58 2.079 4.235 -4.051 1.00 33.43 H new ATOM 0 HG21 VAL A 58 3.865 6.221 -5.651 1.00 24.04 H new ATOM 0 HG22 VAL A 58 4.304 5.665 -4.018 1.00 24.04 H new ATOM 0 HG23 VAL A 58 5.446 5.454 -5.367 1.00 24.04 H new ATOM 1016 N SER A 59 6.423 2.521 -6.043 1.00 64.44 N ATOM 1017 CA SER A 59 7.824 2.517 -6.470 1.00 41.04 C ATOM 1018 C SER A 59 8.222 3.907 -7.009 1.00 41.15 C ATOM 1019 O SER A 59 9.142 4.557 -6.489 1.00 35.41 O ATOM 1020 CB SER A 59 8.031 1.407 -7.528 1.00 63.34 C ATOM 1021 OG SER A 59 7.130 1.559 -8.614 1.00 64.12 O ATOM 0 H SER A 59 5.783 2.127 -6.732 1.00 64.44 H new ATOM 0 HA SER A 59 8.472 2.303 -5.620 1.00 41.04 H new ATOM 0 HB2 SER A 59 9.057 1.438 -7.896 1.00 63.34 H new ATOM 0 HB3 SER A 59 7.887 0.430 -7.067 1.00 63.34 H new ATOM 0 HG SER A 59 7.283 0.846 -9.269 1.00 64.12 H new ATOM 1027 N ASN A 60 7.481 4.374 -8.029 1.00 21.31 N ATOM 1028 CA ASN A 60 7.776 5.632 -8.748 1.00 1.54 C ATOM 1029 C ASN A 60 6.764 6.735 -8.425 1.00 10.32 C ATOM 1030 O ASN A 60 5.699 6.478 -7.866 1.00 51.11 O ATOM 1031 CB ASN A 60 7.795 5.389 -10.285 1.00 33.32 C ATOM 1032 CG ASN A 60 8.974 4.536 -10.757 1.00 72.54 C ATOM 1033 OD1 ASN A 60 10.050 4.553 -10.158 1.00 24.44 O ATOM 1034 ND2 ASN A 60 8.793 3.806 -11.850 1.00 44.44 N ATOM 0 H ASN A 60 6.656 3.889 -8.382 1.00 21.31 H new ATOM 0 HA ASN A 60 8.758 5.964 -8.412 1.00 1.54 H new ATOM 0 HB2 ASN A 60 6.865 4.902 -10.579 1.00 33.32 H new ATOM 0 HB3 ASN A 60 7.826 6.351 -10.796 1.00 33.32 H new ATOM 0 HD21 ASN A 60 9.557 3.238 -12.216 1.00 44.44 H new ATOM 0 HD22 ASN A 60 7.890 3.813 -12.324 1.00 44.44 H new ATOM 1041 N ASP A 61 7.134 7.970 -8.808 1.00 53.22 N ATOM 1042 CA ASP A 61 6.253 9.159 -8.788 1.00 15.15 C ATOM 1043 C ASP A 61 5.089 8.985 -9.787 1.00 11.24 C ATOM 1044 O ASP A 61 4.006 9.550 -9.608 1.00 35.10 O ATOM 1045 CB ASP A 61 7.084 10.424 -9.135 1.00 14.40 C ATOM 1046 CG ASP A 61 7.668 10.383 -10.565 1.00 34.11 C ATOM 1047 OD1 ASP A 61 8.629 9.617 -10.799 1.00 54.22 O ATOM 1048 OD2 ASP A 61 7.157 11.097 -11.460 1.00 61.53 O ATOM 0 H ASP A 61 8.073 8.177 -9.148 1.00 53.22 H new ATOM 0 HA ASP A 61 5.828 9.273 -7.791 1.00 15.15 H new ATOM 0 HB2 ASP A 61 6.454 11.307 -9.030 1.00 14.40 H new ATOM 0 HB3 ASP A 61 7.898 10.526 -8.418 1.00 14.40 H new ATOM 1053 N GLU A 62 5.356 8.200 -10.846 1.00 4.25 N ATOM 1054 CA GLU A 62 4.339 7.745 -11.805 1.00 14.20 C ATOM 1055 C GLU A 62 3.261 6.907 -11.098 1.00 51.53 C ATOM 1056 O GLU A 62 2.068 7.165 -11.246 1.00 61.12 O ATOM 1057 CB GLU A 62 5.014 6.923 -12.945 1.00 3.13 C ATOM 1058 CG GLU A 62 5.500 7.762 -14.140 1.00 3.42 C ATOM 1059 CD GLU A 62 4.329 8.360 -14.943 1.00 54.03 C ATOM 1060 OE1 GLU A 62 3.671 7.604 -15.693 1.00 51.42 O ATOM 1061 OE2 GLU A 62 4.032 9.567 -14.800 1.00 54.40 O ATOM 0 H GLU A 62 6.294 7.861 -11.060 1.00 4.25 H new ATOM 0 HA GLU A 62 3.854 8.618 -12.241 1.00 14.20 H new ATOM 0 HB2 GLU A 62 5.863 6.381 -12.530 1.00 3.13 H new ATOM 0 HB3 GLU A 62 4.305 6.178 -13.306 1.00 3.13 H new ATOM 0 HG2 GLU A 62 6.141 8.567 -13.780 1.00 3.42 H new ATOM 0 HG3 GLU A 62 6.108 7.139 -14.796 1.00 3.42 H new ATOM 1068 N GLU A 63 3.723 5.926 -10.307 1.00 20.33 N ATOM 1069 CA GLU A 63 2.855 4.993 -9.575 1.00 10.32 C ATOM 1070 C GLU A 63 2.118 5.725 -8.440 1.00 63.34 C ATOM 1071 O GLU A 63 1.014 5.336 -8.062 1.00 30.23 O ATOM 1072 CB GLU A 63 3.700 3.810 -9.021 1.00 65.42 C ATOM 1073 CG GLU A 63 4.677 3.172 -10.034 1.00 64.24 C ATOM 1074 CD GLU A 63 4.011 2.645 -11.314 1.00 14.51 C ATOM 1075 OE1 GLU A 63 3.760 3.448 -12.243 1.00 11.14 O ATOM 1076 OE2 GLU A 63 3.777 1.428 -11.413 1.00 54.34 O ATOM 0 H GLU A 63 4.718 5.757 -10.157 1.00 20.33 H new ATOM 0 HA GLU A 63 2.105 4.592 -10.257 1.00 10.32 H new ATOM 0 HB2 GLU A 63 4.271 4.162 -8.162 1.00 65.42 H new ATOM 0 HB3 GLU A 63 3.022 3.038 -8.658 1.00 65.42 H new ATOM 0 HG2 GLU A 63 5.430 3.911 -10.309 1.00 64.24 H new ATOM 0 HG3 GLU A 63 5.201 2.350 -9.547 1.00 64.24 H new ATOM 1083 N LEU A 64 2.774 6.776 -7.899 1.00 44.33 N ATOM 1084 CA LEU A 64 2.217 7.654 -6.855 1.00 33.23 C ATOM 1085 C LEU A 64 0.915 8.297 -7.336 1.00 55.14 C ATOM 1086 O LEU A 64 -0.144 8.073 -6.741 1.00 30.04 O ATOM 1087 CB LEU A 64 3.262 8.739 -6.462 1.00 41.02 C ATOM 1088 CG LEU A 64 2.876 9.692 -5.288 1.00 41.24 C ATOM 1089 CD1 LEU A 64 2.665 8.911 -3.977 1.00 54.30 C ATOM 1090 CD2 LEU A 64 3.931 10.805 -5.116 1.00 60.43 C ATOM 0 H LEU A 64 3.718 7.039 -8.182 1.00 44.33 H new ATOM 0 HA LEU A 64 1.990 7.057 -5.972 1.00 33.23 H new ATOM 0 HB2 LEU A 64 4.193 8.236 -6.200 1.00 41.02 H new ATOM 0 HB3 LEU A 64 3.467 9.349 -7.342 1.00 41.02 H new ATOM 0 HG LEU A 64 1.927 10.166 -5.539 1.00 41.24 H new ATOM 0 HD11 LEU A 64 2.397 9.604 -3.180 1.00 54.30 H new ATOM 0 HD12 LEU A 64 1.863 8.185 -4.111 1.00 54.30 H new ATOM 0 HD13 LEU A 64 3.585 8.390 -3.712 1.00 54.30 H new ATOM 0 HD21 LEU A 64 3.641 11.457 -4.292 1.00 60.43 H new ATOM 0 HD22 LEU A 64 4.901 10.357 -4.900 1.00 60.43 H new ATOM 0 HD23 LEU A 64 3.997 11.388 -6.034 1.00 60.43 H new ATOM 1102 N ASP A 65 1.007 9.045 -8.457 1.00 20.44 N ATOM 1103 CA ASP A 65 -0.148 9.730 -9.055 1.00 32.13 C ATOM 1104 C ASP A 65 -1.204 8.709 -9.510 1.00 72.22 C ATOM 1105 O ASP A 65 -2.390 8.896 -9.256 1.00 40.54 O ATOM 1106 CB ASP A 65 0.281 10.627 -10.244 1.00 61.11 C ATOM 1107 CG ASP A 65 -0.881 11.496 -10.767 1.00 73.23 C ATOM 1108 OD1 ASP A 65 -1.216 12.508 -10.103 1.00 32.31 O ATOM 1109 OD2 ASP A 65 -1.473 11.167 -11.823 1.00 2.43 O ATOM 0 H ASP A 65 1.879 9.187 -8.966 1.00 20.44 H new ATOM 0 HA ASP A 65 -0.586 10.372 -8.291 1.00 32.13 H new ATOM 0 HB2 ASP A 65 1.103 11.272 -9.933 1.00 61.11 H new ATOM 0 HB3 ASP A 65 0.656 10.000 -11.053 1.00 61.11 H new ATOM 1114 N LYS A 66 -0.719 7.597 -10.095 1.00 53.04 N ATOM 1115 CA LYS A 66 -1.559 6.531 -10.680 1.00 45.13 C ATOM 1116 C LYS A 66 -2.512 5.957 -9.608 1.00 32.12 C ATOM 1117 O LYS A 66 -3.731 5.908 -9.800 1.00 32.30 O ATOM 1118 CB LYS A 66 -0.639 5.403 -11.262 1.00 52.33 C ATOM 1119 CG LYS A 66 -1.238 4.563 -12.412 1.00 21.10 C ATOM 1120 CD LYS A 66 -1.447 5.402 -13.698 1.00 74.34 C ATOM 1121 CE LYS A 66 -1.868 4.554 -14.912 1.00 42.11 C ATOM 1122 NZ LYS A 66 -3.132 3.814 -14.672 1.00 24.13 N ATOM 0 H LYS A 66 0.280 7.410 -10.176 1.00 53.04 H new ATOM 0 HA LYS A 66 -2.163 6.946 -11.487 1.00 45.13 H new ATOM 0 HB2 LYS A 66 0.284 5.862 -11.617 1.00 52.33 H new ATOM 0 HB3 LYS A 66 -0.368 4.729 -10.450 1.00 52.33 H new ATOM 0 HG2 LYS A 66 -0.577 3.724 -12.630 1.00 21.10 H new ATOM 0 HG3 LYS A 66 -2.192 4.143 -12.095 1.00 21.10 H new ATOM 0 HD2 LYS A 66 -2.208 6.160 -13.510 1.00 74.34 H new ATOM 0 HD3 LYS A 66 -0.523 5.930 -13.934 1.00 74.34 H new ATOM 0 HE2 LYS A 66 -1.988 5.202 -15.780 1.00 42.11 H new ATOM 0 HE3 LYS A 66 -1.075 3.846 -15.150 1.00 42.11 H new ATOM 0 HZ1 LYS A 66 -3.330 3.193 -15.483 1.00 24.13 H new ATOM 0 HZ2 LYS A 66 -3.040 3.239 -13.810 1.00 24.13 H new ATOM 0 HZ3 LYS A 66 -3.913 4.490 -14.555 1.00 24.13 H new ATOM 1136 N ALA A 67 -1.917 5.598 -8.454 1.00 73.44 N ATOM 1137 CA ALA A 67 -2.625 4.969 -7.331 1.00 13.33 C ATOM 1138 C ALA A 67 -3.497 5.977 -6.556 1.00 74.40 C ATOM 1139 O ALA A 67 -4.528 5.582 -6.003 1.00 13.54 O ATOM 1140 CB ALA A 67 -1.622 4.279 -6.395 1.00 31.12 C ATOM 0 H ALA A 67 -0.922 5.739 -8.277 1.00 73.44 H new ATOM 0 HA ALA A 67 -3.300 4.219 -7.743 1.00 13.33 H new ATOM 0 HB1 ALA A 67 -2.157 3.816 -5.566 1.00 31.12 H new ATOM 0 HB2 ALA A 67 -1.076 3.514 -6.947 1.00 31.12 H new ATOM 0 HB3 ALA A 67 -0.920 5.017 -6.007 1.00 31.12 H new ATOM 1146 N LYS A 68 -3.081 7.277 -6.516 1.00 72.40 N ATOM 1147 CA LYS A 68 -3.915 8.359 -5.923 1.00 3.44 C ATOM 1148 C LYS A 68 -5.240 8.472 -6.688 1.00 61.51 C ATOM 1149 O LYS A 68 -6.313 8.435 -6.085 1.00 3.30 O ATOM 1150 CB LYS A 68 -3.212 9.758 -5.936 1.00 12.42 C ATOM 1151 CG LYS A 68 -2.011 9.916 -4.980 1.00 63.13 C ATOM 1152 CD LYS A 68 -1.470 11.375 -4.868 1.00 24.22 C ATOM 1153 CE LYS A 68 -0.843 11.941 -6.164 1.00 22.11 C ATOM 1154 NZ LYS A 68 -1.840 12.261 -7.232 1.00 40.42 N ATOM 0 H LYS A 68 -2.184 7.595 -6.883 1.00 72.40 H new ATOM 0 HA LYS A 68 -4.082 8.082 -4.882 1.00 3.44 H new ATOM 0 HB2 LYS A 68 -2.873 9.964 -6.951 1.00 12.42 H new ATOM 0 HB3 LYS A 68 -3.953 10.518 -5.687 1.00 12.42 H new ATOM 0 HG2 LYS A 68 -2.303 9.572 -3.988 1.00 63.13 H new ATOM 0 HG3 LYS A 68 -1.204 9.266 -5.318 1.00 63.13 H new ATOM 0 HD2 LYS A 68 -2.288 12.027 -4.563 1.00 24.22 H new ATOM 0 HD3 LYS A 68 -0.722 11.409 -4.075 1.00 24.22 H new ATOM 0 HE2 LYS A 68 -0.284 12.844 -5.921 1.00 22.11 H new ATOM 0 HE3 LYS A 68 -0.127 11.218 -6.555 1.00 22.11 H new ATOM 0 HZ1 LYS A 68 -1.451 12.991 -7.862 1.00 40.42 H new ATOM 0 HZ2 LYS A 68 -2.047 11.403 -7.782 1.00 40.42 H new ATOM 0 HZ3 LYS A 68 -2.716 12.612 -6.795 1.00 40.42 H new ATOM 1168 N GLU A 69 -5.135 8.551 -8.032 1.00 71.33 N ATOM 1169 CA GLU A 69 -6.299 8.786 -8.897 1.00 10.24 C ATOM 1170 C GLU A 69 -7.258 7.580 -8.848 1.00 43.11 C ATOM 1171 O GLU A 69 -8.463 7.764 -8.711 1.00 63.42 O ATOM 1172 CB GLU A 69 -5.891 9.107 -10.365 1.00 42.25 C ATOM 1173 CG GLU A 69 -4.870 10.266 -10.542 1.00 32.53 C ATOM 1174 CD GLU A 69 -5.100 11.482 -9.613 1.00 25.41 C ATOM 1175 OE1 GLU A 69 -6.076 12.235 -9.831 1.00 4.11 O ATOM 1176 OE2 GLU A 69 -4.299 11.687 -8.665 1.00 14.43 O ATOM 0 H GLU A 69 -4.254 8.455 -8.536 1.00 71.33 H new ATOM 0 HA GLU A 69 -6.815 9.665 -8.512 1.00 10.24 H new ATOM 0 HB2 GLU A 69 -5.471 8.206 -10.811 1.00 42.25 H new ATOM 0 HB3 GLU A 69 -6.792 9.351 -10.928 1.00 42.25 H new ATOM 0 HG2 GLU A 69 -3.867 9.877 -10.367 1.00 32.53 H new ATOM 0 HG3 GLU A 69 -4.904 10.606 -11.577 1.00 32.53 H new ATOM 1183 N LEU A 70 -6.692 6.349 -8.890 1.00 62.11 N ATOM 1184 CA LEU A 70 -7.473 5.090 -8.813 1.00 71.53 C ATOM 1185 C LEU A 70 -8.269 5.014 -7.495 1.00 72.25 C ATOM 1186 O LEU A 70 -9.474 4.738 -7.507 1.00 71.41 O ATOM 1187 CB LEU A 70 -6.533 3.849 -8.941 1.00 63.34 C ATOM 1188 CG LEU A 70 -5.926 3.592 -10.356 1.00 41.42 C ATOM 1189 CD1 LEU A 70 -4.887 2.440 -10.327 1.00 74.53 C ATOM 1190 CD2 LEU A 70 -7.044 3.328 -11.392 1.00 15.34 C ATOM 0 H LEU A 70 -5.687 6.201 -8.978 1.00 62.11 H new ATOM 0 HA LEU A 70 -8.178 5.084 -9.644 1.00 71.53 H new ATOM 0 HB2 LEU A 70 -5.713 3.964 -8.232 1.00 63.34 H new ATOM 0 HB3 LEU A 70 -7.092 2.963 -8.641 1.00 63.34 H new ATOM 0 HG LEU A 70 -5.394 4.493 -10.663 1.00 41.42 H new ATOM 0 HD11 LEU A 70 -4.484 2.288 -11.328 1.00 74.53 H new ATOM 0 HD12 LEU A 70 -4.076 2.698 -9.645 1.00 74.53 H new ATOM 0 HD13 LEU A 70 -5.369 1.524 -9.987 1.00 74.53 H new ATOM 0 HD21 LEU A 70 -6.599 3.151 -12.371 1.00 15.34 H new ATOM 0 HD22 LEU A 70 -7.619 2.452 -11.092 1.00 15.34 H new ATOM 0 HD23 LEU A 70 -7.703 4.194 -11.444 1.00 15.34 H new ATOM 1202 N ALA A 71 -7.578 5.298 -6.377 1.00 30.01 N ATOM 1203 CA ALA A 71 -8.155 5.256 -5.021 1.00 43.30 C ATOM 1204 C ALA A 71 -9.311 6.259 -4.858 1.00 33.32 C ATOM 1205 O ALA A 71 -10.330 5.943 -4.244 1.00 73.53 O ATOM 1206 CB ALA A 71 -7.052 5.529 -3.991 1.00 5.50 C ATOM 0 H ALA A 71 -6.594 5.566 -6.389 1.00 30.01 H new ATOM 0 HA ALA A 71 -8.571 4.262 -4.856 1.00 43.30 H new ATOM 0 HB1 ALA A 71 -7.476 5.499 -2.987 1.00 5.50 H new ATOM 0 HB2 ALA A 71 -6.275 4.770 -4.080 1.00 5.50 H new ATOM 0 HB3 ALA A 71 -6.620 6.513 -4.173 1.00 5.50 H new ATOM 1212 N GLN A 72 -9.135 7.462 -5.429 1.00 31.21 N ATOM 1213 CA GLN A 72 -10.130 8.552 -5.363 1.00 54.33 C ATOM 1214 C GLN A 72 -11.331 8.289 -6.297 1.00 62.41 C ATOM 1215 O GLN A 72 -12.455 8.685 -5.981 1.00 61.45 O ATOM 1216 CB GLN A 72 -9.442 9.909 -5.673 1.00 52.42 C ATOM 1217 CG GLN A 72 -8.387 10.317 -4.613 1.00 0.30 C ATOM 1218 CD GLN A 72 -7.578 11.566 -4.978 1.00 11.02 C ATOM 1219 OE1 GLN A 72 -8.064 12.468 -5.659 1.00 10.40 O ATOM 1220 NE2 GLN A 72 -6.333 11.630 -4.524 1.00 43.12 N ATOM 0 H GLN A 72 -8.295 7.710 -5.953 1.00 31.21 H new ATOM 0 HA GLN A 72 -10.534 8.593 -4.351 1.00 54.33 H new ATOM 0 HB2 GLN A 72 -8.962 9.850 -6.650 1.00 52.42 H new ATOM 0 HB3 GLN A 72 -10.202 10.688 -5.738 1.00 52.42 H new ATOM 0 HG2 GLN A 72 -8.892 10.490 -3.663 1.00 0.30 H new ATOM 0 HG3 GLN A 72 -7.700 9.484 -4.462 1.00 0.30 H new ATOM 0 HE21 GLN A 72 -5.955 10.868 -3.961 1.00 43.12 H new ATOM 0 HE22 GLN A 72 -5.753 12.442 -4.738 1.00 43.12 H new ATOM 1229 N LYS A 73 -11.101 7.595 -7.432 1.00 31.14 N ATOM 1230 CA LYS A 73 -12.195 7.162 -8.344 1.00 15.22 C ATOM 1231 C LYS A 73 -13.034 6.037 -7.698 1.00 5.11 C ATOM 1232 O LYS A 73 -14.231 5.905 -7.971 1.00 72.21 O ATOM 1233 CB LYS A 73 -11.629 6.712 -9.723 1.00 10.33 C ATOM 1234 CG LYS A 73 -10.949 7.841 -10.539 1.00 42.54 C ATOM 1235 CD LYS A 73 -11.879 9.039 -10.896 1.00 50.43 C ATOM 1236 CE LYS A 73 -12.799 8.786 -12.114 1.00 4.53 C ATOM 1237 NZ LYS A 73 -13.761 7.664 -11.910 1.00 22.35 N ATOM 0 H LYS A 73 -10.169 7.320 -7.743 1.00 31.14 H new ATOM 0 HA LYS A 73 -12.849 8.017 -8.515 1.00 15.22 H new ATOM 0 HB2 LYS A 73 -10.906 5.912 -9.561 1.00 10.33 H new ATOM 0 HB3 LYS A 73 -12.442 6.292 -10.315 1.00 10.33 H new ATOM 0 HG2 LYS A 73 -10.097 8.217 -9.973 1.00 42.54 H new ATOM 0 HG3 LYS A 73 -10.556 7.416 -11.463 1.00 42.54 H new ATOM 0 HD2 LYS A 73 -12.498 9.275 -10.030 1.00 50.43 H new ATOM 0 HD3 LYS A 73 -11.263 9.916 -11.096 1.00 50.43 H new ATOM 0 HE2 LYS A 73 -13.356 9.697 -12.334 1.00 4.53 H new ATOM 0 HE3 LYS A 73 -12.182 8.571 -12.987 1.00 4.53 H new ATOM 0 HZ1 LYS A 73 -14.626 7.844 -12.459 1.00 22.35 H new ATOM 0 HZ2 LYS A 73 -13.328 6.773 -12.228 1.00 22.35 H new ATOM 0 HZ3 LYS A 73 -14.001 7.591 -10.901 1.00 22.35 H new ATOM 1251 N MET A 74 -12.376 5.241 -6.841 1.00 21.13 N ATOM 1252 CA MET A 74 -13.037 4.237 -5.970 1.00 2.34 C ATOM 1253 C MET A 74 -13.544 4.899 -4.666 1.00 10.42 C ATOM 1254 O MET A 74 -14.219 4.250 -3.866 1.00 72.15 O ATOM 1255 CB MET A 74 -12.038 3.105 -5.617 1.00 54.03 C ATOM 1256 CG MET A 74 -11.515 2.297 -6.806 1.00 5.41 C ATOM 1257 SD MET A 74 -12.743 1.187 -7.519 1.00 61.41 S ATOM 1258 CE MET A 74 -11.694 0.174 -8.567 1.00 73.13 C ATOM 0 H MET A 74 -11.363 5.270 -6.727 1.00 21.13 H new ATOM 0 HA MET A 74 -13.887 3.820 -6.509 1.00 2.34 H new ATOM 0 HB2 MET A 74 -11.187 3.544 -5.095 1.00 54.03 H new ATOM 0 HB3 MET A 74 -12.522 2.421 -4.919 1.00 54.03 H new ATOM 0 HG2 MET A 74 -11.167 2.984 -7.577 1.00 5.41 H new ATOM 0 HG3 MET A 74 -10.652 1.713 -6.487 1.00 5.41 H new ATOM 0 HE1 MET A 74 -12.315 -0.472 -9.188 1.00 73.13 H new ATOM 0 HE2 MET A 74 -11.088 0.817 -9.205 1.00 73.13 H new ATOM 0 HE3 MET A 74 -11.042 -0.439 -7.945 1.00 73.13 H new ATOM 1268 N GLU A 75 -13.158 6.183 -4.464 1.00 71.42 N ATOM 1269 CA GLU A 75 -13.487 7.011 -3.270 1.00 4.01 C ATOM 1270 C GLU A 75 -12.963 6.423 -1.934 1.00 20.51 C ATOM 1271 O GLU A 75 -13.313 6.930 -0.860 1.00 63.34 O ATOM 1272 CB GLU A 75 -15.016 7.307 -3.207 1.00 54.41 C ATOM 1273 CG GLU A 75 -15.558 8.102 -4.412 1.00 4.21 C ATOM 1274 CD GLU A 75 -17.048 8.458 -4.274 1.00 42.21 C ATOM 1275 OE1 GLU A 75 -17.387 9.293 -3.404 1.00 11.21 O ATOM 1276 OE2 GLU A 75 -17.887 7.901 -5.021 1.00 31.00 O ATOM 0 H GLU A 75 -12.592 6.689 -5.146 1.00 71.42 H new ATOM 0 HA GLU A 75 -12.953 7.953 -3.397 1.00 4.01 H new ATOM 0 HB2 GLU A 75 -15.555 6.362 -3.138 1.00 54.41 H new ATOM 0 HB3 GLU A 75 -15.229 7.863 -2.294 1.00 54.41 H new ATOM 0 HG2 GLU A 75 -14.980 9.019 -4.525 1.00 4.21 H new ATOM 0 HG3 GLU A 75 -15.412 7.519 -5.321 1.00 4.21 H new ATOM 1283 N ILE A 76 -12.081 5.403 -2.014 1.00 23.01 N ATOM 1284 CA ILE A 76 -11.533 4.703 -0.833 1.00 14.51 C ATOM 1285 C ILE A 76 -10.533 5.607 -0.097 1.00 54.12 C ATOM 1286 O ILE A 76 -9.687 6.264 -0.726 1.00 24.01 O ATOM 1287 CB ILE A 76 -10.821 3.348 -1.220 1.00 2.41 C ATOM 1288 CG1 ILE A 76 -11.790 2.422 -2.010 1.00 73.13 C ATOM 1289 CG2 ILE A 76 -10.262 2.610 0.034 1.00 63.41 C ATOM 1290 CD1 ILE A 76 -11.185 1.105 -2.453 1.00 32.11 C ATOM 0 H ILE A 76 -11.729 5.042 -2.901 1.00 23.01 H new ATOM 0 HA ILE A 76 -12.375 4.468 -0.182 1.00 14.51 H new ATOM 0 HB ILE A 76 -9.975 3.597 -1.861 1.00 2.41 H new ATOM 0 HG12 ILE A 76 -12.661 2.215 -1.388 1.00 73.13 H new ATOM 0 HG13 ILE A 76 -12.146 2.957 -2.890 1.00 73.13 H new ATOM 0 HG21 ILE A 76 -9.780 1.682 -0.275 1.00 63.41 H new ATOM 0 HG22 ILE A 76 -9.535 3.247 0.537 1.00 63.41 H new ATOM 0 HG23 ILE A 76 -11.080 2.384 0.718 1.00 63.41 H new ATOM 0 HD11 ILE A 76 -11.932 0.526 -2.996 1.00 32.11 H new ATOM 0 HD12 ILE A 76 -10.332 1.297 -3.104 1.00 32.11 H new ATOM 0 HD13 ILE A 76 -10.855 0.544 -1.579 1.00 32.11 H new ATOM 1302 N ASP A 77 -10.655 5.635 1.233 1.00 12.23 N ATOM 1303 CA ASP A 77 -9.765 6.381 2.115 1.00 51.45 C ATOM 1304 C ASP A 77 -8.368 5.720 2.157 1.00 62.33 C ATOM 1305 O ASP A 77 -8.180 4.651 2.763 1.00 51.22 O ATOM 1306 CB ASP A 77 -10.402 6.460 3.510 1.00 50.34 C ATOM 1307 CG ASP A 77 -9.490 7.111 4.546 1.00 14.42 C ATOM 1308 OD1 ASP A 77 -9.131 8.303 4.382 1.00 0.33 O ATOM 1309 OD2 ASP A 77 -9.141 6.438 5.523 1.00 34.10 O ATOM 0 H ASP A 77 -11.388 5.130 1.731 1.00 12.23 H new ATOM 0 HA ASP A 77 -9.626 7.394 1.737 1.00 51.45 H new ATOM 0 HB2 ASP A 77 -11.332 7.025 3.447 1.00 50.34 H new ATOM 0 HB3 ASP A 77 -10.661 5.455 3.843 1.00 50.34 H new ATOM 1314 N VAL A 78 -7.411 6.351 1.448 1.00 63.51 N ATOM 1315 CA VAL A 78 -6.057 5.812 1.226 1.00 33.15 C ATOM 1316 C VAL A 78 -4.971 6.878 1.509 1.00 31.22 C ATOM 1317 O VAL A 78 -5.171 8.062 1.238 1.00 11.33 O ATOM 1318 CB VAL A 78 -5.898 5.304 -0.263 1.00 24.44 C ATOM 1319 CG1 VAL A 78 -4.477 4.786 -0.544 1.00 41.11 C ATOM 1320 CG2 VAL A 78 -6.952 4.229 -0.633 1.00 25.31 C ATOM 0 H VAL A 78 -7.560 7.260 1.009 1.00 63.51 H new ATOM 0 HA VAL A 78 -5.925 4.979 1.917 1.00 33.15 H new ATOM 0 HB VAL A 78 -6.073 6.171 -0.900 1.00 24.44 H new ATOM 0 HG11 VAL A 78 -4.411 4.447 -1.578 1.00 41.11 H new ATOM 0 HG12 VAL A 78 -3.758 5.588 -0.379 1.00 41.11 H new ATOM 0 HG13 VAL A 78 -4.254 3.955 0.125 1.00 41.11 H new ATOM 0 HG21 VAL A 78 -6.802 3.912 -1.665 1.00 25.31 H new ATOM 0 HG22 VAL A 78 -6.844 3.370 0.030 1.00 25.31 H new ATOM 0 HG23 VAL A 78 -7.952 4.648 -0.524 1.00 25.31 H new ATOM 1330 N ARG A 79 -3.819 6.420 2.043 1.00 14.51 N ATOM 1331 CA ARG A 79 -2.577 7.204 2.134 1.00 51.32 C ATOM 1332 C ARG A 79 -1.626 6.659 1.051 1.00 0.10 C ATOM 1333 O ARG A 79 -1.152 5.526 1.171 1.00 2.43 O ATOM 1334 CB ARG A 79 -1.870 7.071 3.523 1.00 62.00 C ATOM 1335 CG ARG A 79 -2.689 7.454 4.779 1.00 20.21 C ATOM 1336 CD ARG A 79 -3.753 6.415 5.172 1.00 30.13 C ATOM 1337 NE ARG A 79 -4.256 6.636 6.536 1.00 62.21 N ATOM 1338 CZ ARG A 79 -5.525 6.898 6.864 1.00 72.02 C ATOM 1339 NH1 ARG A 79 -6.464 6.986 5.933 1.00 12.03 N ATOM 1340 NH2 ARG A 79 -5.840 7.055 8.129 1.00 14.24 N ATOM 0 H ARG A 79 -3.728 5.480 2.428 1.00 14.51 H new ATOM 0 HA ARG A 79 -2.821 8.258 2.000 1.00 51.32 H new ATOM 0 HB2 ARG A 79 -1.543 6.038 3.637 1.00 62.00 H new ATOM 0 HB3 ARG A 79 -0.973 7.689 3.505 1.00 62.00 H new ATOM 0 HG2 ARG A 79 -2.006 7.594 5.617 1.00 20.21 H new ATOM 0 HG3 ARG A 79 -3.179 8.412 4.603 1.00 20.21 H new ATOM 0 HD2 ARG A 79 -4.583 6.460 4.467 1.00 30.13 H new ATOM 0 HD3 ARG A 79 -3.328 5.414 5.099 1.00 30.13 H new ATOM 0 HE ARG A 79 -3.579 6.585 7.297 1.00 62.21 H new ATOM 0 HH11 ARG A 79 -6.223 6.853 4.951 1.00 12.03 H new ATOM 0 HH12 ARG A 79 -7.428 7.187 6.199 1.00 12.03 H new ATOM 0 HH21 ARG A 79 -5.120 6.977 8.847 1.00 14.24 H new ATOM 0 HH22 ARG A 79 -6.805 7.255 8.393 1.00 14.24 H new ATOM 1354 N THR A 80 -1.368 7.440 -0.002 1.00 53.40 N ATOM 1355 CA THR A 80 -0.497 7.012 -1.113 1.00 10.32 C ATOM 1356 C THR A 80 0.860 7.729 -0.974 1.00 73.22 C ATOM 1357 O THR A 80 0.931 8.958 -1.098 1.00 31.31 O ATOM 1358 CB THR A 80 -1.157 7.314 -2.503 1.00 11.42 C ATOM 1359 OG1 THR A 80 -2.524 6.860 -2.495 1.00 51.51 O ATOM 1360 CG2 THR A 80 -0.410 6.617 -3.661 1.00 40.12 C ATOM 0 H THR A 80 -1.750 8.379 -0.113 1.00 53.40 H new ATOM 0 HA THR A 80 -0.348 5.933 -1.064 1.00 10.32 H new ATOM 0 HB THR A 80 -1.107 8.391 -2.663 1.00 11.42 H new ATOM 0 HG1 THR A 80 -2.937 7.050 -3.363 1.00 51.51 H new ATOM 0 HG21 THR A 80 -0.901 6.853 -4.605 1.00 40.12 H new ATOM 0 HG22 THR A 80 0.622 6.967 -3.691 1.00 40.12 H new ATOM 0 HG23 THR A 80 -0.423 5.538 -3.505 1.00 40.12 H new ATOM 1368 N ARG A 81 1.923 6.956 -0.669 1.00 74.14 N ATOM 1369 CA ARG A 81 3.281 7.477 -0.384 1.00 15.54 C ATOM 1370 C ARG A 81 4.309 6.768 -1.273 1.00 21.43 C ATOM 1371 O ARG A 81 4.228 5.554 -1.465 1.00 42.13 O ATOM 1372 CB ARG A 81 3.640 7.270 1.123 1.00 71.11 C ATOM 1373 CG ARG A 81 2.716 8.017 2.108 1.00 70.23 C ATOM 1374 CD ARG A 81 2.730 9.544 1.891 1.00 24.22 C ATOM 1375 NE ARG A 81 1.747 10.234 2.741 1.00 11.15 N ATOM 1376 CZ ARG A 81 0.619 10.818 2.302 1.00 54.14 C ATOM 1377 NH1 ARG A 81 0.304 10.813 1.005 1.00 42.23 N ATOM 1378 NH2 ARG A 81 -0.175 11.421 3.169 1.00 61.10 N ATOM 0 H ARG A 81 1.864 5.939 -0.612 1.00 74.14 H new ATOM 0 HA ARG A 81 3.299 8.545 -0.601 1.00 15.54 H new ATOM 0 HB2 ARG A 81 3.605 6.204 1.349 1.00 71.11 H new ATOM 0 HB3 ARG A 81 4.667 7.598 1.288 1.00 71.11 H new ATOM 0 HG2 ARG A 81 1.697 7.647 1.996 1.00 70.23 H new ATOM 0 HG3 ARG A 81 3.025 7.796 3.130 1.00 70.23 H new ATOM 0 HD2 ARG A 81 3.727 9.931 2.104 1.00 24.22 H new ATOM 0 HD3 ARG A 81 2.520 9.763 0.844 1.00 24.22 H new ATOM 0 HE ARG A 81 1.937 10.272 3.742 1.00 11.15 H new ATOM 0 HH11 ARG A 81 0.923 10.362 0.332 1.00 42.23 H new ATOM 0 HH12 ARG A 81 -0.556 11.261 0.687 1.00 42.23 H new ATOM 0 HH21 ARG A 81 0.071 11.440 4.159 1.00 61.10 H new ATOM 0 HH22 ARG A 81 -1.034 11.868 2.849 1.00 61.10 H new ATOM 1392 N LYS A 82 5.271 7.541 -1.813 1.00 64.34 N ATOM 1393 CA LYS A 82 6.364 7.002 -2.635 1.00 20.32 C ATOM 1394 C LYS A 82 7.507 6.531 -1.735 1.00 32.11 C ATOM 1395 O LYS A 82 7.994 7.289 -0.888 1.00 23.14 O ATOM 1396 CB LYS A 82 6.886 8.072 -3.635 1.00 35.21 C ATOM 1397 CG LYS A 82 7.918 7.539 -4.660 1.00 21.21 C ATOM 1398 CD LYS A 82 8.491 8.657 -5.565 1.00 12.52 C ATOM 1399 CE LYS A 82 9.233 9.746 -4.765 1.00 33.44 C ATOM 1400 NZ LYS A 82 9.733 10.849 -5.630 1.00 73.15 N ATOM 0 H LYS A 82 5.310 8.553 -1.690 1.00 64.34 H new ATOM 0 HA LYS A 82 5.980 6.157 -3.206 1.00 20.32 H new ATOM 0 HB2 LYS A 82 6.038 8.491 -4.176 1.00 35.21 H new ATOM 0 HB3 LYS A 82 7.339 8.888 -3.072 1.00 35.21 H new ATOM 0 HG2 LYS A 82 8.736 7.053 -4.128 1.00 21.21 H new ATOM 0 HG3 LYS A 82 7.447 6.779 -5.283 1.00 21.21 H new ATOM 0 HD2 LYS A 82 9.174 8.217 -6.292 1.00 12.52 H new ATOM 0 HD3 LYS A 82 7.678 9.116 -6.128 1.00 12.52 H new ATOM 0 HE2 LYS A 82 8.563 10.157 -4.009 1.00 33.44 H new ATOM 0 HE3 LYS A 82 10.072 9.295 -4.236 1.00 33.44 H new ATOM 0 HZ1 LYS A 82 10.224 11.554 -5.044 1.00 73.15 H new ATOM 0 HZ2 LYS A 82 10.394 10.465 -6.335 1.00 73.15 H new ATOM 0 HZ3 LYS A 82 8.931 11.300 -6.116 1.00 73.15 H new ATOM 1414 N VAL A 83 7.912 5.272 -1.912 1.00 64.12 N ATOM 1415 CA VAL A 83 9.082 4.698 -1.241 1.00 53.21 C ATOM 1416 C VAL A 83 10.167 4.424 -2.291 1.00 70.22 C ATOM 1417 O VAL A 83 9.864 4.026 -3.422 1.00 34.45 O ATOM 1418 CB VAL A 83 8.705 3.402 -0.432 1.00 73.43 C ATOM 1419 CG1 VAL A 83 7.635 3.746 0.627 1.00 54.00 C ATOM 1420 CG2 VAL A 83 8.242 2.236 -1.351 1.00 55.21 C ATOM 0 H VAL A 83 7.434 4.616 -2.530 1.00 64.12 H new ATOM 0 HA VAL A 83 9.467 5.409 -0.510 1.00 53.21 H new ATOM 0 HB VAL A 83 9.605 3.047 0.070 1.00 73.43 H new ATOM 0 HG11 VAL A 83 7.375 2.847 1.187 1.00 54.00 H new ATOM 0 HG12 VAL A 83 8.028 4.498 1.311 1.00 54.00 H new ATOM 0 HG13 VAL A 83 6.745 4.136 0.132 1.00 54.00 H new ATOM 0 HG21 VAL A 83 7.995 1.368 -0.740 1.00 55.21 H new ATOM 0 HG22 VAL A 83 7.362 2.545 -1.916 1.00 55.21 H new ATOM 0 HG23 VAL A 83 9.044 1.977 -2.042 1.00 55.21 H new ATOM 1430 N THR A 84 11.417 4.709 -1.930 1.00 43.41 N ATOM 1431 CA THR A 84 12.588 4.551 -2.813 1.00 62.04 C ATOM 1432 C THR A 84 13.577 3.538 -2.181 1.00 64.34 C ATOM 1433 O THR A 84 14.431 2.968 -2.869 1.00 73.22 O ATOM 1434 CB THR A 84 13.244 5.957 -3.046 1.00 1.44 C ATOM 1435 OG1 THR A 84 12.204 6.933 -3.272 1.00 52.44 O ATOM 1436 CG2 THR A 84 14.195 5.984 -4.253 1.00 22.02 C ATOM 0 H THR A 84 11.656 5.062 -1.003 1.00 43.41 H new ATOM 0 HA THR A 84 12.291 4.155 -3.784 1.00 62.04 H new ATOM 0 HB THR A 84 13.828 6.185 -2.154 1.00 1.44 H new ATOM 0 HG1 THR A 84 12.608 7.814 -3.417 1.00 52.44 H new ATOM 0 HG21 THR A 84 14.617 6.983 -4.362 1.00 22.02 H new ATOM 0 HG22 THR A 84 15.000 5.265 -4.098 1.00 22.02 H new ATOM 0 HG23 THR A 84 13.644 5.723 -5.156 1.00 22.02 H new ATOM 1444 N SER A 85 13.425 3.312 -0.858 1.00 62.44 N ATOM 1445 CA SER A 85 14.147 2.267 -0.106 1.00 45.31 C ATOM 1446 C SER A 85 13.146 1.479 0.785 1.00 3.51 C ATOM 1447 O SER A 85 12.101 2.034 1.168 1.00 55.22 O ATOM 1448 CB SER A 85 15.264 2.903 0.756 1.00 42.21 C ATOM 1449 OG SER A 85 14.734 3.858 1.655 1.00 73.32 O ATOM 0 H SER A 85 12.789 3.858 -0.277 1.00 62.44 H new ATOM 0 HA SER A 85 14.612 1.575 -0.808 1.00 45.31 H new ATOM 0 HB2 SER A 85 15.785 2.124 1.313 1.00 42.21 H new ATOM 0 HB3 SER A 85 16.001 3.379 0.109 1.00 42.21 H new ATOM 0 HG SER A 85 14.234 4.536 1.155 1.00 73.32 H new ATOM 1455 N PRO A 86 13.430 0.165 1.115 1.00 3.35 N ATOM 1456 CA PRO A 86 12.574 -0.660 2.015 1.00 53.44 C ATOM 1457 C PRO A 86 12.327 -0.017 3.385 1.00 24.20 C ATOM 1458 O PRO A 86 11.231 -0.137 3.915 1.00 3.43 O ATOM 1459 CB PRO A 86 13.350 -2.004 2.156 1.00 33.21 C ATOM 1460 CG PRO A 86 14.725 -1.725 1.625 1.00 32.14 C ATOM 1461 CD PRO A 86 14.554 -0.645 0.585 1.00 54.03 C ATOM 0 HA PRO A 86 11.574 -0.781 1.598 1.00 53.44 H new ATOM 0 HB2 PRO A 86 13.388 -2.329 3.196 1.00 33.21 H new ATOM 0 HB3 PRO A 86 12.864 -2.800 1.591 1.00 33.21 H new ATOM 0 HG2 PRO A 86 15.393 -1.398 2.422 1.00 32.14 H new ATOM 0 HG3 PRO A 86 15.165 -2.622 1.189 1.00 32.14 H new ATOM 0 HD2 PRO A 86 15.460 -0.050 0.471 1.00 54.03 H new ATOM 0 HD3 PRO A 86 14.322 -1.063 -0.394 1.00 54.03 H new ATOM 1469 N ASP A 87 13.345 0.675 3.937 1.00 75.35 N ATOM 1470 CA ASP A 87 13.263 1.301 5.282 1.00 44.53 C ATOM 1471 C ASP A 87 12.153 2.362 5.362 1.00 43.13 C ATOM 1472 O ASP A 87 11.520 2.516 6.411 1.00 22.44 O ATOM 1473 CB ASP A 87 14.625 1.912 5.700 1.00 12.54 C ATOM 1474 CG ASP A 87 15.715 0.843 5.858 1.00 30.33 C ATOM 1475 OD1 ASP A 87 15.638 0.044 6.823 1.00 63.42 O ATOM 1476 OD2 ASP A 87 16.636 0.777 5.014 1.00 40.54 O ATOM 0 H ASP A 87 14.241 0.817 3.472 1.00 75.35 H new ATOM 0 HA ASP A 87 13.009 0.505 5.982 1.00 44.53 H new ATOM 0 HB2 ASP A 87 14.939 2.641 4.953 1.00 12.54 H new ATOM 0 HB3 ASP A 87 14.507 2.450 6.641 1.00 12.54 H new ATOM 1481 N GLU A 88 11.912 3.064 4.242 1.00 51.22 N ATOM 1482 CA GLU A 88 10.822 4.052 4.137 1.00 42.14 C ATOM 1483 C GLU A 88 9.454 3.346 4.119 1.00 32.31 C ATOM 1484 O GLU A 88 8.526 3.787 4.787 1.00 24.31 O ATOM 1485 CB GLU A 88 11.010 4.936 2.878 1.00 24.01 C ATOM 1486 CG GLU A 88 12.338 5.709 2.864 1.00 12.22 C ATOM 1487 CD GLU A 88 12.531 6.554 1.601 1.00 31.42 C ATOM 1488 OE1 GLU A 88 12.758 5.967 0.521 1.00 54.13 O ATOM 1489 OE2 GLU A 88 12.480 7.800 1.681 1.00 2.34 O ATOM 0 H GLU A 88 12.462 2.965 3.389 1.00 51.22 H new ATOM 0 HA GLU A 88 10.855 4.701 5.012 1.00 42.14 H new ATOM 0 HB2 GLU A 88 10.956 4.306 1.990 1.00 24.01 H new ATOM 0 HB3 GLU A 88 10.185 5.646 2.816 1.00 24.01 H new ATOM 0 HG2 GLU A 88 12.382 6.359 3.738 1.00 12.22 H new ATOM 0 HG3 GLU A 88 13.163 5.002 2.950 1.00 12.22 H new ATOM 1496 N ALA A 89 9.373 2.214 3.385 1.00 63.33 N ATOM 1497 CA ALA A 89 8.137 1.404 3.285 1.00 31.44 C ATOM 1498 C ALA A 89 7.739 0.849 4.659 1.00 65.44 C ATOM 1499 O ALA A 89 6.587 0.972 5.084 1.00 74.24 O ATOM 1500 CB ALA A 89 8.321 0.267 2.265 1.00 21.31 C ATOM 0 H ALA A 89 10.155 1.838 2.849 1.00 63.33 H new ATOM 0 HA ALA A 89 7.330 2.048 2.936 1.00 31.44 H new ATOM 0 HB1 ALA A 89 7.404 -0.319 2.204 1.00 21.31 H new ATOM 0 HB2 ALA A 89 8.548 0.689 1.286 1.00 21.31 H new ATOM 0 HB3 ALA A 89 9.142 -0.377 2.582 1.00 21.31 H new ATOM 1506 N LYS A 90 8.743 0.294 5.353 1.00 51.13 N ATOM 1507 CA LYS A 90 8.630 -0.238 6.715 1.00 23.20 C ATOM 1508 C LYS A 90 8.192 0.858 7.701 1.00 51.02 C ATOM 1509 O LYS A 90 7.347 0.619 8.577 1.00 13.44 O ATOM 1510 CB LYS A 90 10.017 -0.793 7.140 1.00 53.15 C ATOM 1511 CG LYS A 90 10.505 -2.030 6.342 1.00 24.14 C ATOM 1512 CD LYS A 90 12.037 -2.253 6.449 1.00 44.12 C ATOM 1513 CE LYS A 90 12.560 -2.332 7.893 1.00 11.33 C ATOM 1514 NZ LYS A 90 14.051 -2.330 7.939 1.00 21.41 N ATOM 0 H LYS A 90 9.683 0.201 4.969 1.00 51.13 H new ATOM 0 HA LYS A 90 7.878 -1.026 6.730 1.00 23.20 H new ATOM 0 HB2 LYS A 90 10.756 0.001 7.036 1.00 53.15 H new ATOM 0 HB3 LYS A 90 9.977 -1.055 8.197 1.00 53.15 H new ATOM 0 HG2 LYS A 90 9.988 -2.918 6.706 1.00 24.14 H new ATOM 0 HG3 LYS A 90 10.233 -1.910 5.293 1.00 24.14 H new ATOM 0 HD2 LYS A 90 12.296 -3.175 5.929 1.00 44.12 H new ATOM 0 HD3 LYS A 90 12.549 -1.441 5.932 1.00 44.12 H new ATOM 0 HE2 LYS A 90 12.177 -1.488 8.466 1.00 11.33 H new ATOM 0 HE3 LYS A 90 12.182 -3.237 8.368 1.00 11.33 H new ATOM 0 HZ1 LYS A 90 14.368 -2.401 8.927 1.00 21.41 H new ATOM 0 HZ2 LYS A 90 14.416 -3.140 7.399 1.00 21.41 H new ATOM 0 HZ3 LYS A 90 14.410 -1.447 7.523 1.00 21.41 H new ATOM 1528 N ARG A 91 8.792 2.058 7.542 1.00 24.13 N ATOM 1529 CA ARG A 91 8.518 3.207 8.410 1.00 74.34 C ATOM 1530 C ARG A 91 7.062 3.652 8.267 1.00 50.34 C ATOM 1531 O ARG A 91 6.364 3.733 9.263 1.00 0.34 O ATOM 1532 CB ARG A 91 9.477 4.390 8.108 1.00 12.13 C ATOM 1533 CG ARG A 91 9.363 5.573 9.102 1.00 62.33 C ATOM 1534 CD ARG A 91 10.417 6.668 8.855 1.00 22.25 C ATOM 1535 NE ARG A 91 10.370 7.731 9.885 1.00 54.43 N ATOM 1536 CZ ARG A 91 11.440 8.396 10.377 1.00 34.21 C ATOM 1537 NH1 ARG A 91 12.677 8.129 9.950 1.00 62.31 N ATOM 1538 NH2 ARG A 91 11.266 9.335 11.293 1.00 41.43 N ATOM 0 H ARG A 91 9.476 2.249 6.810 1.00 24.13 H new ATOM 0 HA ARG A 91 8.690 2.892 9.439 1.00 74.34 H new ATOM 0 HB2 ARG A 91 10.503 4.022 8.116 1.00 12.13 H new ATOM 0 HB3 ARG A 91 9.277 4.756 7.101 1.00 12.13 H new ATOM 0 HG2 ARG A 91 8.368 6.010 9.026 1.00 62.33 H new ATOM 0 HG3 ARG A 91 9.469 5.197 10.120 1.00 62.33 H new ATOM 0 HD2 ARG A 91 11.410 6.219 8.844 1.00 22.25 H new ATOM 0 HD3 ARG A 91 10.256 7.110 7.872 1.00 22.25 H new ATOM 0 HE ARG A 91 9.453 7.983 10.255 1.00 54.43 H new ATOM 0 HH11 ARG A 91 12.828 7.412 9.240 1.00 62.31 H new ATOM 0 HH12 ARG A 91 13.471 8.642 10.334 1.00 62.31 H new ATOM 0 HH21 ARG A 91 10.327 9.555 11.626 1.00 41.43 H new ATOM 0 HH22 ARG A 91 12.071 9.839 11.666 1.00 41.43 H new ATOM 1552 N TRP A 92 6.605 3.906 7.018 1.00 13.41 N ATOM 1553 CA TRP A 92 5.204 4.289 6.736 1.00 52.00 C ATOM 1554 C TRP A 92 4.177 3.270 7.270 1.00 52.13 C ATOM 1555 O TRP A 92 3.076 3.666 7.637 1.00 0.14 O ATOM 1556 CB TRP A 92 4.971 4.504 5.215 1.00 1.51 C ATOM 1557 CG TRP A 92 5.610 5.750 4.630 1.00 73.13 C ATOM 1558 CD1 TRP A 92 6.580 5.816 3.665 1.00 61.24 C ATOM 1559 CD2 TRP A 92 5.292 7.114 4.958 1.00 42.13 C ATOM 1560 NE1 TRP A 92 6.891 7.120 3.392 1.00 11.31 N ATOM 1561 CE2 TRP A 92 6.116 7.935 4.170 1.00 52.04 C ATOM 1562 CE3 TRP A 92 4.394 7.718 5.844 1.00 43.21 C ATOM 1563 CZ2 TRP A 92 6.066 9.324 4.235 1.00 71.52 C ATOM 1564 CZ3 TRP A 92 4.348 9.097 5.911 1.00 2.24 C ATOM 1565 CH2 TRP A 92 5.181 9.889 5.110 1.00 70.23 C ATOM 0 H TRP A 92 7.192 3.852 6.186 1.00 13.41 H new ATOM 0 HA TRP A 92 5.047 5.228 7.267 1.00 52.00 H new ATOM 0 HB2 TRP A 92 5.352 3.635 4.679 1.00 1.51 H new ATOM 0 HB3 TRP A 92 3.897 4.546 5.031 1.00 1.51 H new ATOM 0 HD1 TRP A 92 7.035 4.960 3.188 1.00 61.24 H new ATOM 0 HE1 TRP A 92 7.588 7.434 2.717 1.00 11.31 H new ATOM 0 HE3 TRP A 92 3.747 7.116 6.465 1.00 43.21 H new ATOM 0 HZ2 TRP A 92 6.705 9.935 3.615 1.00 71.52 H new ATOM 0 HZ3 TRP A 92 3.658 9.573 6.592 1.00 2.24 H new ATOM 0 HH2 TRP A 92 5.123 10.965 5.185 1.00 70.23 H new ATOM 1576 N ILE A 93 4.542 1.971 7.296 1.00 11.33 N ATOM 1577 CA ILE A 93 3.681 0.896 7.848 1.00 33.41 C ATOM 1578 C ILE A 93 3.533 1.072 9.374 1.00 2.11 C ATOM 1579 O ILE A 93 2.423 0.988 9.915 1.00 53.54 O ATOM 1580 CB ILE A 93 4.262 -0.528 7.470 1.00 74.52 C ATOM 1581 CG1 ILE A 93 4.082 -0.787 5.937 1.00 12.44 C ATOM 1582 CG2 ILE A 93 3.652 -1.678 8.314 1.00 3.03 C ATOM 1583 CD1 ILE A 93 4.709 -2.071 5.426 1.00 45.41 C ATOM 0 H ILE A 93 5.436 1.636 6.938 1.00 11.33 H new ATOM 0 HA ILE A 93 2.687 0.967 7.406 1.00 33.41 H new ATOM 0 HB ILE A 93 5.325 -0.519 7.709 1.00 74.52 H new ATOM 0 HG12 ILE A 93 3.016 -0.805 5.709 1.00 12.44 H new ATOM 0 HG13 ILE A 93 4.511 0.052 5.389 1.00 12.44 H new ATOM 0 HG21 ILE A 93 4.091 -2.627 8.007 1.00 3.03 H new ATOM 0 HG22 ILE A 93 3.862 -1.506 9.370 1.00 3.03 H new ATOM 0 HG23 ILE A 93 2.574 -1.710 8.159 1.00 3.03 H new ATOM 0 HD11 ILE A 93 4.531 -2.161 4.354 1.00 45.41 H new ATOM 0 HD12 ILE A 93 5.782 -2.052 5.615 1.00 45.41 H new ATOM 0 HD13 ILE A 93 4.265 -2.923 5.941 1.00 45.41 H new ATOM 1595 N LYS A 94 4.666 1.354 10.040 1.00 14.52 N ATOM 1596 CA LYS A 94 4.710 1.694 11.474 1.00 31.21 C ATOM 1597 C LYS A 94 3.870 2.964 11.767 1.00 11.03 C ATOM 1598 O LYS A 94 3.044 2.962 12.682 1.00 51.41 O ATOM 1599 CB LYS A 94 6.192 1.892 11.907 1.00 44.55 C ATOM 1600 CG LYS A 94 6.390 2.464 13.327 1.00 53.24 C ATOM 1601 CD LYS A 94 7.867 2.827 13.621 1.00 24.21 C ATOM 1602 CE LYS A 94 8.025 3.642 14.911 1.00 1.13 C ATOM 1603 NZ LYS A 94 7.237 4.901 14.856 1.00 24.25 N ATOM 0 H LYS A 94 5.584 1.353 9.596 1.00 14.52 H new ATOM 0 HA LYS A 94 4.276 0.877 12.051 1.00 31.21 H new ATOM 0 HB2 LYS A 94 6.704 0.932 11.845 1.00 44.55 H new ATOM 0 HB3 LYS A 94 6.677 2.558 11.193 1.00 44.55 H new ATOM 0 HG2 LYS A 94 5.770 3.353 13.447 1.00 53.24 H new ATOM 0 HG3 LYS A 94 6.046 1.734 14.060 1.00 53.24 H new ATOM 0 HD2 LYS A 94 8.454 1.912 13.699 1.00 24.21 H new ATOM 0 HD3 LYS A 94 8.272 3.396 12.784 1.00 24.21 H new ATOM 0 HE2 LYS A 94 7.700 3.045 15.763 1.00 1.13 H new ATOM 0 HE3 LYS A 94 9.078 3.876 15.069 1.00 1.13 H new ATOM 0 HZ1 LYS A 94 7.742 5.650 15.372 1.00 24.25 H new ATOM 0 HZ2 LYS A 94 7.110 5.188 13.865 1.00 24.25 H new ATOM 0 HZ3 LYS A 94 6.306 4.747 15.293 1.00 24.25 H new ATOM 1617 N GLU A 95 4.052 4.017 10.934 1.00 61.22 N ATOM 1618 CA GLU A 95 3.393 5.328 11.122 1.00 54.51 C ATOM 1619 C GLU A 95 1.867 5.208 10.931 1.00 12.32 C ATOM 1620 O GLU A 95 1.093 5.819 11.664 1.00 30.33 O ATOM 1621 CB GLU A 95 3.967 6.391 10.132 1.00 13.04 C ATOM 1622 CG GLU A 95 5.499 6.575 10.175 1.00 40.40 C ATOM 1623 CD GLU A 95 6.061 6.897 11.573 1.00 21.45 C ATOM 1624 OE1 GLU A 95 5.880 8.042 12.037 1.00 24.20 O ATOM 1625 OE2 GLU A 95 6.692 6.014 12.209 1.00 62.14 O ATOM 0 H GLU A 95 4.659 3.980 10.115 1.00 61.22 H new ATOM 0 HA GLU A 95 3.596 5.655 12.142 1.00 54.51 H new ATOM 0 HB2 GLU A 95 3.680 6.111 9.118 1.00 13.04 H new ATOM 0 HB3 GLU A 95 3.496 7.351 10.343 1.00 13.04 H new ATOM 0 HG2 GLU A 95 5.973 5.665 9.807 1.00 40.40 H new ATOM 0 HG3 GLU A 95 5.776 7.378 9.491 1.00 40.40 H new ATOM 1632 N PHE A 96 1.477 4.388 9.939 1.00 12.30 N ATOM 1633 CA PHE A 96 0.069 4.104 9.572 1.00 34.14 C ATOM 1634 C PHE A 96 -0.654 3.343 10.692 1.00 22.10 C ATOM 1635 O PHE A 96 -1.833 3.589 10.975 1.00 62.13 O ATOM 1636 CB PHE A 96 0.057 3.283 8.255 1.00 13.33 C ATOM 1637 CG PHE A 96 -1.302 2.782 7.776 1.00 52.42 C ATOM 1638 CD1 PHE A 96 -2.270 3.667 7.310 1.00 62.12 C ATOM 1639 CD2 PHE A 96 -1.606 1.417 7.776 1.00 43.04 C ATOM 1640 CE1 PHE A 96 -3.496 3.204 6.872 1.00 75.11 C ATOM 1641 CE2 PHE A 96 -2.829 0.959 7.337 1.00 63.54 C ATOM 1642 CZ PHE A 96 -3.772 1.854 6.887 1.00 14.42 C ATOM 0 H PHE A 96 2.146 3.889 9.352 1.00 12.30 H new ATOM 0 HA PHE A 96 -0.463 5.044 9.427 1.00 34.14 H new ATOM 0 HB2 PHE A 96 0.491 3.897 7.466 1.00 13.33 H new ATOM 0 HB3 PHE A 96 0.712 2.421 8.385 1.00 13.33 H new ATOM 0 HD1 PHE A 96 -2.061 4.726 7.291 1.00 62.12 H new ATOM 0 HD2 PHE A 96 -0.869 0.709 8.126 1.00 43.04 H new ATOM 0 HE1 PHE A 96 -4.240 3.902 6.517 1.00 75.11 H new ATOM 0 HE2 PHE A 96 -3.047 -0.099 7.346 1.00 63.54 H new ATOM 0 HZ PHE A 96 -4.732 1.497 6.544 1.00 14.42 H new ATOM 1652 N SER A 97 0.088 2.414 11.316 1.00 5.34 N ATOM 1653 CA SER A 97 -0.394 1.613 12.443 1.00 3.21 C ATOM 1654 C SER A 97 -0.669 2.514 13.665 1.00 60.50 C ATOM 1655 O SER A 97 -1.662 2.331 14.371 1.00 35.01 O ATOM 1656 CB SER A 97 0.650 0.525 12.794 1.00 42.12 C ATOM 1657 OG SER A 97 0.197 -0.316 13.836 1.00 11.14 O ATOM 0 H SER A 97 1.048 2.199 11.047 1.00 5.34 H new ATOM 0 HA SER A 97 -1.329 1.128 12.161 1.00 3.21 H new ATOM 0 HB2 SER A 97 0.863 -0.074 11.909 1.00 42.12 H new ATOM 0 HB3 SER A 97 1.585 1.000 13.090 1.00 42.12 H new ATOM 0 HG SER A 97 0.879 -0.992 14.031 1.00 11.14 H new