USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 10 ASN : amide:sc= 0.884 K(o=1.8,f=1.1) USER MOD Set 2.2: A 59 SER OG : rot 143:sc= 0.319 USER MOD Set 2.3: A 60 ASN : amide:sc= 0.576 K(o=1.8,f=1.1) USER MOD Single : A 4 TYR OH : rot -127:sc= 0.564 USER MOD Single : A 9 SER OG : rot -110:sc= 0.074 USER MOD Single : A 12 LYS NZ :NH3+ -151:sc= 0.76 (180deg=0.312) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= 0.86 (180deg=0.735) USER MOD Single : A 21 MET CE :methyl -165:sc= -0.126 (180deg=-0.515) USER MOD Single : A 24 LYS NZ :NH3+ -120:sc= 0.361 (180deg=-0.156) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 31 THR OG1 : rot 43:sc= 0.101 USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0546) USER MOD Single : A 34 THR OG1 : rot -170:sc= -0.536 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -116:sc= -1.82 (180deg=-4.12!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= -0.0058 (180deg=-0.0677) USER MOD Single : A 49 SER OG : rot -84:sc= 0.975 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.022 F(o=-0.67,f=-0.022) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= -0.146 (180deg=-0.225) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0693 X(o=-0.069,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 163:sc= 0.336 (180deg=0.218) USER MOD Single : A 74 MET CE :methyl 152:sc= 0 (180deg=-0.913) USER MOD Single : A 80 THR OG1 : rot 100:sc= -0.524 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -133:sc= -0.426 (180deg=-2.37!) USER MOD Single : A 94 LYS NZ :NH3+ -113:sc= 1.23 (180deg=-0.291) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.343 -2.011 10.078 1.00 61.34 N ATOM 21 CA LEU A 2 -9.695 -2.768 8.982 1.00 30.40 C ATOM 22 C LEU A 2 -8.416 -2.051 8.496 1.00 5.02 C ATOM 23 O LEU A 2 -8.489 -0.928 7.986 1.00 54.34 O ATOM 24 CB LEU A 2 -10.677 -2.956 7.790 1.00 43.44 C ATOM 25 CG LEU A 2 -12.028 -3.681 8.077 1.00 4.05 C ATOM 26 CD1 LEU A 2 -12.888 -3.769 6.792 1.00 75.20 C ATOM 27 CD2 LEU A 2 -11.809 -5.077 8.710 1.00 51.13 C ATOM 0 HA LEU A 2 -9.419 -3.747 9.373 1.00 30.40 H new ATOM 0 HB2 LEU A 2 -10.904 -1.971 7.383 1.00 43.44 H new ATOM 0 HB3 LEU A 2 -10.156 -3.511 7.010 1.00 43.44 H new ATOM 0 HG LEU A 2 -12.574 -3.085 8.808 1.00 4.05 H new ATOM 0 HD11 LEU A 2 -13.825 -4.278 7.016 1.00 75.20 H new ATOM 0 HD12 LEU A 2 -13.099 -2.764 6.426 1.00 75.20 H new ATOM 0 HD13 LEU A 2 -12.345 -4.327 6.029 1.00 75.20 H new ATOM 0 HD21 LEU A 2 -12.774 -5.548 8.894 1.00 51.13 H new ATOM 0 HD22 LEU A 2 -11.226 -5.698 8.030 1.00 51.13 H new ATOM 0 HD23 LEU A 2 -11.272 -4.969 9.653 1.00 51.13 H new ATOM 39 N LEU A 3 -7.242 -2.674 8.704 1.00 61.21 N ATOM 40 CA LEU A 3 -5.947 -2.121 8.259 1.00 53.30 C ATOM 41 C LEU A 3 -5.338 -3.013 7.159 1.00 70.23 C ATOM 42 O LEU A 3 -4.967 -4.174 7.405 1.00 63.34 O ATOM 43 CB LEU A 3 -4.980 -1.977 9.470 1.00 55.12 C ATOM 44 CG LEU A 3 -5.475 -1.059 10.636 1.00 75.03 C ATOM 45 CD1 LEU A 3 -4.428 -0.945 11.764 1.00 62.23 C ATOM 46 CD2 LEU A 3 -5.881 0.331 10.123 1.00 12.14 C ATOM 0 H LEU A 3 -7.163 -3.571 9.183 1.00 61.21 H new ATOM 0 HA LEU A 3 -6.108 -1.129 7.837 1.00 53.30 H new ATOM 0 HB2 LEU A 3 -4.785 -2.970 9.874 1.00 55.12 H new ATOM 0 HB3 LEU A 3 -4.029 -1.588 9.106 1.00 55.12 H new ATOM 0 HG LEU A 3 -6.361 -1.534 11.058 1.00 75.03 H new ATOM 0 HD11 LEU A 3 -4.812 -0.299 12.553 1.00 62.23 H new ATOM 0 HD12 LEU A 3 -4.224 -1.935 12.173 1.00 62.23 H new ATOM 0 HD13 LEU A 3 -3.507 -0.521 11.364 1.00 62.23 H new ATOM 0 HD21 LEU A 3 -6.220 0.943 10.959 1.00 12.14 H new ATOM 0 HD22 LEU A 3 -5.024 0.808 9.648 1.00 12.14 H new ATOM 0 HD23 LEU A 3 -6.688 0.230 9.397 1.00 12.14 H new ATOM 58 N TYR A 4 -5.262 -2.458 5.939 1.00 20.41 N ATOM 59 CA TYR A 4 -4.707 -3.127 4.753 1.00 31.04 C ATOM 60 C TYR A 4 -3.556 -2.295 4.187 1.00 44.20 C ATOM 61 O TYR A 4 -3.531 -1.069 4.332 1.00 44.11 O ATOM 62 CB TYR A 4 -5.807 -3.337 3.673 1.00 23.13 C ATOM 63 CG TYR A 4 -6.922 -4.288 4.128 1.00 33.32 C ATOM 64 CD1 TYR A 4 -6.739 -5.673 4.099 1.00 64.34 C ATOM 65 CD2 TYR A 4 -8.143 -3.813 4.609 1.00 54.20 C ATOM 66 CE1 TYR A 4 -7.717 -6.537 4.544 1.00 33.11 C ATOM 67 CE2 TYR A 4 -9.125 -4.681 5.044 1.00 73.15 C ATOM 68 CZ TYR A 4 -8.907 -6.040 5.009 1.00 54.42 C ATOM 69 OH TYR A 4 -9.873 -6.902 5.471 1.00 44.23 O ATOM 0 H TYR A 4 -5.592 -1.512 5.746 1.00 20.41 H new ATOM 0 HA TYR A 4 -4.331 -4.107 5.045 1.00 31.04 H new ATOM 0 HB2 TYR A 4 -6.243 -2.372 3.415 1.00 23.13 H new ATOM 0 HB3 TYR A 4 -5.348 -3.732 2.767 1.00 23.13 H new ATOM 0 HD1 TYR A 4 -5.811 -6.075 3.720 1.00 64.34 H new ATOM 0 HD2 TYR A 4 -8.323 -2.749 4.642 1.00 54.20 H new ATOM 0 HE1 TYR A 4 -7.546 -7.603 4.526 1.00 33.11 H new ATOM 0 HE2 TYR A 4 -10.064 -4.294 5.412 1.00 73.15 H new ATOM 0 HH TYR A 4 -10.719 -6.722 5.011 1.00 44.23 H new ATOM 79 N VAL A 5 -2.592 -2.987 3.578 1.00 35.02 N ATOM 80 CA VAL A 5 -1.401 -2.391 2.965 1.00 33.44 C ATOM 81 C VAL A 5 -1.241 -2.970 1.546 1.00 3.21 C ATOM 82 O VAL A 5 -1.145 -4.181 1.386 1.00 14.30 O ATOM 83 CB VAL A 5 -0.114 -2.685 3.848 1.00 1.12 C ATOM 84 CG1 VAL A 5 1.190 -2.253 3.146 1.00 22.13 C ATOM 85 CG2 VAL A 5 -0.226 -2.010 5.243 1.00 3.41 C ATOM 0 H VAL A 5 -2.617 -4.003 3.495 1.00 35.02 H new ATOM 0 HA VAL A 5 -1.515 -1.309 2.905 1.00 33.44 H new ATOM 0 HB VAL A 5 -0.069 -3.766 3.984 1.00 1.12 H new ATOM 0 HG11 VAL A 5 2.041 -2.475 3.790 1.00 22.13 H new ATOM 0 HG12 VAL A 5 1.295 -2.796 2.207 1.00 22.13 H new ATOM 0 HG13 VAL A 5 1.157 -1.182 2.944 1.00 22.13 H new ATOM 0 HG21 VAL A 5 0.669 -2.228 5.826 1.00 3.41 H new ATOM 0 HG22 VAL A 5 -0.324 -0.932 5.119 1.00 3.41 H new ATOM 0 HG23 VAL A 5 -1.102 -2.396 5.765 1.00 3.41 H new ATOM 95 N LEU A 6 -1.250 -2.101 0.522 1.00 61.24 N ATOM 96 CA LEU A 6 -1.001 -2.490 -0.880 1.00 51.33 C ATOM 97 C LEU A 6 0.384 -1.992 -1.293 1.00 13.40 C ATOM 98 O LEU A 6 0.585 -0.791 -1.437 1.00 64.32 O ATOM 99 CB LEU A 6 -2.082 -1.883 -1.820 1.00 73.12 C ATOM 100 CG LEU A 6 -3.550 -2.335 -1.571 1.00 33.12 C ATOM 101 CD1 LEU A 6 -4.518 -1.732 -2.623 1.00 63.30 C ATOM 102 CD2 LEU A 6 -3.657 -3.872 -1.513 1.00 43.44 C ATOM 0 H LEU A 6 -1.431 -1.104 0.642 1.00 61.24 H new ATOM 0 HA LEU A 6 -1.048 -3.576 -0.964 1.00 51.33 H new ATOM 0 HB2 LEU A 6 -2.040 -0.797 -1.733 1.00 73.12 H new ATOM 0 HB3 LEU A 6 -1.818 -2.131 -2.848 1.00 73.12 H new ATOM 0 HG LEU A 6 -3.854 -1.949 -0.598 1.00 33.12 H new ATOM 0 HD11 LEU A 6 -5.534 -2.069 -2.418 1.00 63.30 H new ATOM 0 HD12 LEU A 6 -4.479 -0.644 -2.571 1.00 63.30 H new ATOM 0 HD13 LEU A 6 -4.222 -2.059 -3.620 1.00 63.30 H new ATOM 0 HD21 LEU A 6 -4.694 -4.158 -1.338 1.00 43.44 H new ATOM 0 HD22 LEU A 6 -3.318 -4.296 -2.458 1.00 43.44 H new ATOM 0 HD23 LEU A 6 -3.035 -4.250 -0.702 1.00 43.44 H new ATOM 114 N ILE A 7 1.343 -2.898 -1.487 1.00 24.23 N ATOM 115 CA ILE A 7 2.716 -2.502 -1.816 1.00 12.32 C ATOM 116 C ILE A 7 2.986 -2.701 -3.322 1.00 64.21 C ATOM 117 O ILE A 7 3.035 -3.832 -3.824 1.00 41.14 O ATOM 118 CB ILE A 7 3.776 -3.246 -0.911 1.00 41.21 C ATOM 119 CG1 ILE A 7 5.218 -2.732 -1.239 1.00 44.12 C ATOM 120 CG2 ILE A 7 3.677 -4.792 -1.010 1.00 71.32 C ATOM 121 CD1 ILE A 7 6.299 -3.240 -0.308 1.00 42.42 C ATOM 0 H ILE A 7 1.198 -3.906 -1.423 1.00 24.23 H new ATOM 0 HA ILE A 7 2.826 -1.440 -1.598 1.00 12.32 H new ATOM 0 HB ILE A 7 3.547 -3.005 0.127 1.00 41.21 H new ATOM 0 HG12 ILE A 7 5.470 -3.024 -2.259 1.00 44.12 H new ATOM 0 HG13 ILE A 7 5.216 -1.642 -1.210 1.00 44.12 H new ATOM 0 HG21 ILE A 7 4.430 -5.247 -0.366 1.00 71.32 H new ATOM 0 HG22 ILE A 7 2.685 -5.114 -0.692 1.00 71.32 H new ATOM 0 HG23 ILE A 7 3.846 -5.102 -2.041 1.00 71.32 H new ATOM 0 HD11 ILE A 7 7.263 -2.832 -0.612 1.00 42.42 H new ATOM 0 HD12 ILE A 7 6.078 -2.926 0.712 1.00 42.42 H new ATOM 0 HD13 ILE A 7 6.336 -4.328 -0.353 1.00 42.42 H new ATOM 133 N ILE A 8 3.090 -1.577 -4.050 1.00 4.12 N ATOM 134 CA ILE A 8 3.563 -1.551 -5.439 1.00 63.24 C ATOM 135 C ILE A 8 5.079 -1.311 -5.396 1.00 43.22 C ATOM 136 O ILE A 8 5.521 -0.191 -5.131 1.00 54.45 O ATOM 137 CB ILE A 8 2.874 -0.399 -6.278 1.00 62.42 C ATOM 138 CG1 ILE A 8 1.327 -0.436 -6.099 1.00 52.42 C ATOM 139 CG2 ILE A 8 3.274 -0.490 -7.781 1.00 63.14 C ATOM 140 CD1 ILE A 8 0.572 0.677 -6.802 1.00 4.13 C ATOM 0 H ILE A 8 2.846 -0.656 -3.686 1.00 4.12 H new ATOM 0 HA ILE A 8 3.313 -2.495 -5.923 1.00 63.24 H new ATOM 0 HB ILE A 8 3.230 0.559 -5.900 1.00 62.42 H new ATOM 0 HG12 ILE A 8 0.957 -1.393 -6.466 1.00 52.42 H new ATOM 0 HG13 ILE A 8 1.099 -0.393 -5.034 1.00 52.42 H new ATOM 0 HG21 ILE A 8 2.788 0.312 -8.336 1.00 63.14 H new ATOM 0 HG22 ILE A 8 4.356 -0.393 -7.876 1.00 63.14 H new ATOM 0 HG23 ILE A 8 2.959 -1.453 -8.184 1.00 63.14 H new ATOM 0 HD11 ILE A 8 -0.496 0.565 -6.618 1.00 4.13 H new ATOM 0 HD12 ILE A 8 0.907 1.641 -6.420 1.00 4.13 H new ATOM 0 HD13 ILE A 8 0.763 0.625 -7.874 1.00 4.13 H new ATOM 152 N SER A 9 5.869 -2.364 -5.606 1.00 2.31 N ATOM 153 CA SER A 9 7.331 -2.251 -5.648 1.00 40.33 C ATOM 154 C SER A 9 7.901 -3.223 -6.674 1.00 63.13 C ATOM 155 O SER A 9 7.446 -4.371 -6.783 1.00 42.40 O ATOM 156 CB SER A 9 7.940 -2.515 -4.254 1.00 30.25 C ATOM 157 OG SER A 9 9.359 -2.388 -4.264 1.00 0.43 O ATOM 0 H SER A 9 5.520 -3.312 -5.751 1.00 2.31 H new ATOM 0 HA SER A 9 7.593 -1.235 -5.944 1.00 40.33 H new ATOM 0 HB2 SER A 9 7.517 -1.814 -3.534 1.00 30.25 H new ATOM 0 HB3 SER A 9 7.667 -3.517 -3.922 1.00 30.25 H new ATOM 0 HG SER A 9 9.767 -3.272 -4.154 1.00 0.43 H new ATOM 163 N ASN A 10 8.892 -2.737 -7.429 1.00 43.13 N ATOM 164 CA ASN A 10 9.628 -3.536 -8.423 1.00 43.14 C ATOM 165 C ASN A 10 10.690 -4.403 -7.730 1.00 32.21 C ATOM 166 O ASN A 10 11.097 -5.445 -8.262 1.00 22.22 O ATOM 167 CB ASN A 10 10.304 -2.605 -9.464 1.00 32.12 C ATOM 168 CG ASN A 10 9.310 -1.708 -10.214 1.00 4.34 C ATOM 169 OD1 ASN A 10 9.028 -0.592 -9.781 1.00 21.22 O ATOM 170 ND2 ASN A 10 8.764 -2.188 -11.327 1.00 33.12 N ATOM 0 H ASN A 10 9.211 -1.770 -7.369 1.00 43.13 H new ATOM 0 HA ASN A 10 8.921 -4.188 -8.936 1.00 43.14 H new ATOM 0 HB2 ASN A 10 11.038 -1.978 -8.958 1.00 32.12 H new ATOM 0 HB3 ASN A 10 10.849 -3.214 -10.185 1.00 32.12 H new ATOM 0 HD21 ASN A 10 8.090 -1.627 -11.848 1.00 33.12 H new ATOM 0 HD22 ASN A 10 9.019 -3.118 -11.660 1.00 33.12 H new ATOM 177 N ASP A 11 11.130 -3.947 -6.542 1.00 43.51 N ATOM 178 CA ASP A 11 12.176 -4.613 -5.756 1.00 55.41 C ATOM 179 C ASP A 11 11.538 -5.607 -4.778 1.00 72.25 C ATOM 180 O ASP A 11 10.864 -5.214 -3.813 1.00 45.23 O ATOM 181 CB ASP A 11 13.037 -3.568 -5.007 1.00 53.21 C ATOM 182 CG ASP A 11 14.266 -4.144 -4.287 1.00 23.03 C ATOM 183 OD1 ASP A 11 14.926 -5.049 -4.839 1.00 75.22 O ATOM 184 OD2 ASP A 11 14.599 -3.667 -3.185 1.00 71.54 O ATOM 0 H ASP A 11 10.766 -3.102 -6.102 1.00 43.51 H new ATOM 0 HA ASP A 11 12.832 -5.165 -6.429 1.00 55.41 H new ATOM 0 HB2 ASP A 11 13.371 -2.815 -5.720 1.00 53.21 H new ATOM 0 HB3 ASP A 11 12.410 -3.058 -4.275 1.00 53.21 H new ATOM 189 N LYS A 12 11.776 -6.894 -5.047 1.00 71.00 N ATOM 190 CA LYS A 12 11.211 -8.020 -4.282 1.00 75.54 C ATOM 191 C LYS A 12 11.740 -8.022 -2.833 1.00 34.54 C ATOM 192 O LYS A 12 11.007 -8.381 -1.898 1.00 62.22 O ATOM 193 CB LYS A 12 11.508 -9.387 -4.988 1.00 52.21 C ATOM 194 CG LYS A 12 10.718 -9.658 -6.302 1.00 43.33 C ATOM 195 CD LYS A 12 11.074 -8.684 -7.443 1.00 40.54 C ATOM 196 CE LYS A 12 10.279 -8.948 -8.727 1.00 10.35 C ATOM 197 NZ LYS A 12 10.541 -7.920 -9.771 1.00 14.24 N ATOM 0 H LYS A 12 12.377 -7.193 -5.815 1.00 71.00 H new ATOM 0 HA LYS A 12 10.129 -7.890 -4.246 1.00 75.54 H new ATOM 0 HB2 LYS A 12 12.574 -9.435 -5.211 1.00 52.21 H new ATOM 0 HB3 LYS A 12 11.293 -10.192 -4.285 1.00 52.21 H new ATOM 0 HG2 LYS A 12 10.914 -10.678 -6.631 1.00 43.33 H new ATOM 0 HG3 LYS A 12 9.650 -9.589 -6.096 1.00 43.33 H new ATOM 0 HD2 LYS A 12 10.889 -7.662 -7.112 1.00 40.54 H new ATOM 0 HD3 LYS A 12 12.139 -8.761 -7.660 1.00 40.54 H new ATOM 0 HE2 LYS A 12 10.537 -9.933 -9.116 1.00 10.35 H new ATOM 0 HE3 LYS A 12 9.214 -8.966 -8.496 1.00 10.35 H new ATOM 0 HZ1 LYS A 12 9.702 -7.818 -10.377 1.00 14.24 H new ATOM 0 HZ2 LYS A 12 10.752 -7.009 -9.316 1.00 14.24 H new ATOM 0 HZ3 LYS A 12 11.353 -8.213 -10.351 1.00 14.24 H new ATOM 211 N LYS A 13 12.997 -7.582 -2.647 1.00 52.34 N ATOM 212 CA LYS A 13 13.626 -7.571 -1.322 1.00 23.11 C ATOM 213 C LYS A 13 13.099 -6.382 -0.481 1.00 14.42 C ATOM 214 O LYS A 13 13.010 -6.488 0.740 1.00 44.20 O ATOM 215 CB LYS A 13 15.179 -7.601 -1.433 1.00 25.21 C ATOM 216 CG LYS A 13 15.885 -6.245 -1.610 1.00 54.30 C ATOM 217 CD LYS A 13 17.410 -6.389 -1.827 1.00 1.14 C ATOM 218 CE LYS A 13 18.118 -7.198 -0.720 1.00 22.12 C ATOM 219 NZ LYS A 13 17.920 -6.621 0.636 1.00 43.12 N ATOM 0 H LYS A 13 13.593 -7.231 -3.397 1.00 52.34 H new ATOM 0 HA LYS A 13 13.346 -8.481 -0.792 1.00 23.11 H new ATOM 0 HB2 LYS A 13 15.575 -8.076 -0.536 1.00 25.21 H new ATOM 0 HB3 LYS A 13 15.448 -8.237 -2.276 1.00 25.21 H new ATOM 0 HG2 LYS A 13 15.449 -5.722 -2.461 1.00 54.30 H new ATOM 0 HG3 LYS A 13 15.704 -5.628 -0.730 1.00 54.30 H new ATOM 0 HD2 LYS A 13 17.588 -6.871 -2.788 1.00 1.14 H new ATOM 0 HD3 LYS A 13 17.856 -5.396 -1.881 1.00 1.14 H new ATOM 0 HE2 LYS A 13 17.746 -8.222 -0.731 1.00 22.12 H new ATOM 0 HE3 LYS A 13 19.185 -7.244 -0.937 1.00 22.12 H new ATOM 0 HZ1 LYS A 13 18.417 -7.205 1.338 1.00 43.12 H new ATOM 0 HZ2 LYS A 13 18.299 -5.653 0.660 1.00 43.12 H new ATOM 0 HZ3 LYS A 13 16.905 -6.601 0.860 1.00 43.12 H new ATOM 233 N LEU A 14 12.730 -5.263 -1.147 1.00 51.35 N ATOM 234 CA LEU A 14 11.993 -4.145 -0.499 1.00 21.05 C ATOM 235 C LEU A 14 10.645 -4.660 0.046 1.00 33.22 C ATOM 236 O LEU A 14 10.256 -4.331 1.179 1.00 62.24 O ATOM 237 CB LEU A 14 11.792 -2.963 -1.510 1.00 62.10 C ATOM 238 CG LEU A 14 11.247 -1.584 -0.960 1.00 30.31 C ATOM 239 CD1 LEU A 14 11.682 -0.411 -1.875 1.00 42.22 C ATOM 240 CD2 LEU A 14 9.707 -1.571 -0.785 1.00 41.34 C ATOM 0 H LEU A 14 12.930 -5.107 -2.135 1.00 51.35 H new ATOM 0 HA LEU A 14 12.577 -3.763 0.338 1.00 21.05 H new ATOM 0 HB2 LEU A 14 12.751 -2.772 -1.992 1.00 62.10 H new ATOM 0 HB3 LEU A 14 11.107 -3.304 -2.287 1.00 62.10 H new ATOM 0 HG LEU A 14 11.688 -1.456 0.028 1.00 30.31 H new ATOM 0 HD11 LEU A 14 11.294 0.526 -1.475 1.00 42.22 H new ATOM 0 HD12 LEU A 14 12.770 -0.366 -1.916 1.00 42.22 H new ATOM 0 HD13 LEU A 14 11.288 -0.567 -2.879 1.00 42.22 H new ATOM 0 HD21 LEU A 14 9.392 -0.599 -0.405 1.00 41.34 H new ATOM 0 HD22 LEU A 14 9.230 -1.756 -1.747 1.00 41.34 H new ATOM 0 HD23 LEU A 14 9.414 -2.349 -0.079 1.00 41.34 H new ATOM 252 N ILE A 15 9.952 -5.473 -0.782 1.00 43.13 N ATOM 253 CA ILE A 15 8.642 -6.050 -0.437 1.00 35.10 C ATOM 254 C ILE A 15 8.723 -6.937 0.828 1.00 2.20 C ATOM 255 O ILE A 15 7.870 -6.818 1.713 1.00 15.54 O ATOM 256 CB ILE A 15 8.028 -6.883 -1.630 1.00 20.52 C ATOM 257 CG1 ILE A 15 7.817 -5.982 -2.893 1.00 4.32 C ATOM 258 CG2 ILE A 15 6.704 -7.568 -1.207 1.00 12.41 C ATOM 259 CD1 ILE A 15 7.318 -6.704 -4.138 1.00 21.43 C ATOM 0 H ILE A 15 10.288 -5.745 -1.706 1.00 43.13 H new ATOM 0 HA ILE A 15 7.983 -5.206 -0.232 1.00 35.10 H new ATOM 0 HB ILE A 15 8.739 -7.666 -1.893 1.00 20.52 H new ATOM 0 HG12 ILE A 15 7.106 -5.195 -2.641 1.00 4.32 H new ATOM 0 HG13 ILE A 15 8.762 -5.494 -3.132 1.00 4.32 H new ATOM 0 HG21 ILE A 15 6.303 -8.135 -2.047 1.00 12.41 H new ATOM 0 HG22 ILE A 15 6.894 -8.242 -0.372 1.00 12.41 H new ATOM 0 HG23 ILE A 15 5.983 -6.809 -0.904 1.00 12.41 H new ATOM 0 HD11 ILE A 15 7.206 -5.989 -4.953 1.00 21.43 H new ATOM 0 HD12 ILE A 15 8.036 -7.472 -4.425 1.00 21.43 H new ATOM 0 HD13 ILE A 15 6.355 -7.168 -3.928 1.00 21.43 H new ATOM 271 N GLU A 16 9.742 -7.816 0.899 1.00 23.34 N ATOM 272 CA GLU A 16 9.881 -8.745 2.043 1.00 42.32 C ATOM 273 C GLU A 16 10.237 -7.991 3.348 1.00 44.54 C ATOM 274 O GLU A 16 9.691 -8.324 4.397 1.00 64.34 O ATOM 275 CB GLU A 16 10.888 -9.886 1.756 1.00 21.34 C ATOM 276 CG GLU A 16 12.319 -9.424 1.498 1.00 3.05 C ATOM 277 CD GLU A 16 13.320 -10.567 1.304 1.00 23.23 C ATOM 278 OE1 GLU A 16 13.373 -11.156 0.198 1.00 71.32 O ATOM 279 OE2 GLU A 16 14.070 -10.880 2.252 1.00 52.45 O ATOM 0 H GLU A 16 10.471 -7.904 0.191 1.00 23.34 H new ATOM 0 HA GLU A 16 8.907 -9.213 2.186 1.00 42.32 H new ATOM 0 HB2 GLU A 16 10.889 -10.572 2.603 1.00 21.34 H new ATOM 0 HB3 GLU A 16 10.541 -10.449 0.890 1.00 21.34 H new ATOM 0 HG2 GLU A 16 12.331 -8.791 0.611 1.00 3.05 H new ATOM 0 HG3 GLU A 16 12.646 -8.807 2.335 1.00 3.05 H new ATOM 286 N GLU A 17 11.112 -6.949 3.275 1.00 33.53 N ATOM 287 CA GLU A 17 11.463 -6.115 4.466 1.00 41.43 C ATOM 288 C GLU A 17 10.228 -5.377 5.012 1.00 21.13 C ATOM 289 O GLU A 17 10.056 -5.234 6.234 1.00 13.53 O ATOM 290 CB GLU A 17 12.589 -5.091 4.138 1.00 63.23 C ATOM 291 CG GLU A 17 13.909 -5.715 3.643 1.00 51.22 C ATOM 292 CD GLU A 17 14.454 -6.817 4.575 1.00 14.54 C ATOM 293 OE1 GLU A 17 15.114 -6.484 5.582 1.00 63.14 O ATOM 294 OE2 GLU A 17 14.228 -8.018 4.305 1.00 40.10 O ATOM 0 H GLU A 17 11.584 -6.667 2.416 1.00 33.53 H new ATOM 0 HA GLU A 17 11.832 -6.796 5.233 1.00 41.43 H new ATOM 0 HB2 GLU A 17 12.223 -4.401 3.378 1.00 63.23 H new ATOM 0 HB3 GLU A 17 12.795 -4.501 5.031 1.00 63.23 H new ATOM 0 HG2 GLU A 17 13.754 -6.134 2.649 1.00 51.22 H new ATOM 0 HG3 GLU A 17 14.659 -4.930 3.544 1.00 51.22 H new ATOM 301 N ALA A 18 9.379 -4.921 4.081 1.00 55.41 N ATOM 302 CA ALA A 18 8.112 -4.260 4.400 1.00 75.02 C ATOM 303 C ALA A 18 7.107 -5.259 5.008 1.00 4.42 C ATOM 304 O ALA A 18 6.422 -4.942 5.982 1.00 71.11 O ATOM 305 CB ALA A 18 7.537 -3.615 3.138 1.00 25.10 C ATOM 0 H ALA A 18 9.556 -5.002 3.080 1.00 55.41 H new ATOM 0 HA ALA A 18 8.298 -3.484 5.143 1.00 75.02 H new ATOM 0 HB1 ALA A 18 6.594 -3.124 3.378 1.00 25.10 H new ATOM 0 HB2 ALA A 18 8.242 -2.879 2.752 1.00 25.10 H new ATOM 0 HB3 ALA A 18 7.365 -4.382 2.383 1.00 25.10 H new ATOM 311 N ARG A 19 7.045 -6.470 4.419 1.00 62.41 N ATOM 312 CA ARG A 19 6.126 -7.549 4.850 1.00 22.22 C ATOM 313 C ARG A 19 6.395 -7.947 6.313 1.00 52.24 C ATOM 314 O ARG A 19 5.461 -8.138 7.085 1.00 75.31 O ATOM 315 CB ARG A 19 6.263 -8.801 3.939 1.00 73.35 C ATOM 316 CG ARG A 19 5.180 -9.902 4.183 1.00 23.33 C ATOM 317 CD ARG A 19 5.722 -11.328 3.965 1.00 43.14 C ATOM 318 NE ARG A 19 6.778 -11.638 4.940 1.00 32.35 N ATOM 319 CZ ARG A 19 7.612 -12.690 4.897 1.00 42.23 C ATOM 320 NH1 ARG A 19 7.556 -13.575 3.906 1.00 42.14 N ATOM 321 NH2 ARG A 19 8.488 -12.849 5.871 1.00 70.41 N ATOM 0 H ARG A 19 7.633 -6.731 3.627 1.00 62.41 H new ATOM 0 HA ARG A 19 5.110 -7.163 4.766 1.00 22.22 H new ATOM 0 HB2 ARG A 19 6.212 -8.484 2.897 1.00 73.35 H new ATOM 0 HB3 ARG A 19 7.249 -9.239 4.091 1.00 73.35 H new ATOM 0 HG2 ARG A 19 4.801 -9.814 5.201 1.00 23.33 H new ATOM 0 HG3 ARG A 19 4.337 -9.732 3.513 1.00 23.33 H new ATOM 0 HD2 ARG A 19 4.910 -12.049 4.059 1.00 43.14 H new ATOM 0 HD3 ARG A 19 6.116 -11.422 2.953 1.00 43.14 H new ATOM 0 HE ARG A 19 6.888 -10.993 5.723 1.00 32.35 H new ATOM 0 HH11 ARG A 19 6.870 -13.462 3.159 1.00 42.14 H new ATOM 0 HH12 ARG A 19 8.199 -14.367 3.892 1.00 42.14 H new ATOM 0 HH21 ARG A 19 8.524 -12.179 6.639 1.00 70.41 H new ATOM 0 HH22 ARG A 19 9.130 -13.642 5.856 1.00 70.41 H new ATOM 335 N LYS A 20 7.693 -8.028 6.665 1.00 73.01 N ATOM 336 CA LYS A 20 8.159 -8.383 8.024 1.00 2.10 C ATOM 337 C LYS A 20 7.662 -7.355 9.058 1.00 12.35 C ATOM 338 O LYS A 20 7.284 -7.720 10.176 1.00 32.22 O ATOM 339 CB LYS A 20 9.708 -8.485 8.047 1.00 25.31 C ATOM 340 CG LYS A 20 10.284 -9.617 7.159 1.00 74.11 C ATOM 341 CD LYS A 20 11.825 -9.550 7.018 1.00 10.35 C ATOM 342 CE LYS A 20 12.376 -10.583 6.013 1.00 42.43 C ATOM 343 NZ LYS A 20 13.853 -10.469 5.849 1.00 60.24 N ATOM 0 H LYS A 20 8.455 -7.848 6.011 1.00 73.01 H new ATOM 0 HA LYS A 20 7.743 -9.354 8.292 1.00 2.10 H new ATOM 0 HB2 LYS A 20 10.128 -7.534 7.721 1.00 25.31 H new ATOM 0 HB3 LYS A 20 10.035 -8.643 9.075 1.00 25.31 H new ATOM 0 HG2 LYS A 20 10.005 -10.582 7.583 1.00 74.11 H new ATOM 0 HG3 LYS A 20 9.831 -9.561 6.169 1.00 74.11 H new ATOM 0 HD2 LYS A 20 12.113 -8.549 6.698 1.00 10.35 H new ATOM 0 HD3 LYS A 20 12.283 -9.718 7.993 1.00 10.35 H new ATOM 0 HE2 LYS A 20 12.125 -11.588 6.352 1.00 42.43 H new ATOM 0 HE3 LYS A 20 11.892 -10.443 5.047 1.00 42.43 H new ATOM 0 HZ1 LYS A 20 14.212 -11.306 5.347 1.00 60.24 H new ATOM 0 HZ2 LYS A 20 14.076 -9.614 5.301 1.00 60.24 H new ATOM 0 HZ3 LYS A 20 14.303 -10.408 6.785 1.00 60.24 H new ATOM 357 N MET A 21 7.655 -6.074 8.655 1.00 40.21 N ATOM 358 CA MET A 21 7.158 -4.963 9.490 1.00 62.41 C ATOM 359 C MET A 21 5.638 -4.984 9.620 1.00 31.13 C ATOM 360 O MET A 21 5.106 -4.682 10.692 1.00 63.04 O ATOM 361 CB MET A 21 7.617 -3.602 8.913 1.00 51.34 C ATOM 362 CG MET A 21 9.081 -3.288 9.189 1.00 51.34 C ATOM 363 SD MET A 21 9.480 -3.274 10.952 1.00 14.52 S ATOM 364 CE MET A 21 8.315 -2.065 11.578 1.00 22.21 C ATOM 0 H MET A 21 7.994 -5.777 7.740 1.00 40.21 H new ATOM 0 HA MET A 21 7.582 -5.095 10.486 1.00 62.41 H new ATOM 0 HB2 MET A 21 7.450 -3.598 7.836 1.00 51.34 H new ATOM 0 HB3 MET A 21 6.998 -2.810 9.335 1.00 51.34 H new ATOM 0 HG2 MET A 21 9.706 -4.026 8.686 1.00 51.34 H new ATOM 0 HG3 MET A 21 9.326 -2.317 8.759 1.00 51.34 H new ATOM 0 HE1 MET A 21 8.614 -1.757 12.580 1.00 22.21 H new ATOM 0 HE2 MET A 21 8.303 -1.196 10.920 1.00 22.21 H new ATOM 0 HE3 MET A 21 7.319 -2.505 11.616 1.00 22.21 H new ATOM 374 N ALA A 22 4.955 -5.302 8.514 1.00 41.02 N ATOM 375 CA ALA A 22 3.494 -5.421 8.487 1.00 0.20 C ATOM 376 C ALA A 22 3.014 -6.541 9.428 1.00 53.44 C ATOM 377 O ALA A 22 2.009 -6.380 10.113 1.00 33.35 O ATOM 378 CB ALA A 22 3.006 -5.656 7.053 1.00 44.44 C ATOM 0 H ALA A 22 5.400 -5.484 7.614 1.00 41.02 H new ATOM 0 HA ALA A 22 3.065 -4.485 8.845 1.00 0.20 H new ATOM 0 HB1 ALA A 22 1.919 -5.742 7.048 1.00 44.44 H new ATOM 0 HB2 ALA A 22 3.306 -4.818 6.425 1.00 44.44 H new ATOM 0 HB3 ALA A 22 3.445 -6.575 6.665 1.00 44.44 H new ATOM 384 N GLU A 23 3.771 -7.655 9.465 1.00 70.52 N ATOM 385 CA GLU A 23 3.509 -8.789 10.377 1.00 44.21 C ATOM 386 C GLU A 23 3.582 -8.340 11.858 1.00 41.20 C ATOM 387 O GLU A 23 2.733 -8.722 12.670 1.00 41.33 O ATOM 388 CB GLU A 23 4.523 -9.944 10.105 1.00 2.23 C ATOM 389 CG GLU A 23 4.369 -10.624 8.725 1.00 33.34 C ATOM 390 CD GLU A 23 5.455 -11.684 8.437 1.00 33.54 C ATOM 391 OE1 GLU A 23 5.258 -12.868 8.791 1.00 32.30 O ATOM 392 OE2 GLU A 23 6.514 -11.337 7.869 1.00 70.04 O ATOM 0 H GLU A 23 4.583 -7.795 8.863 1.00 70.52 H new ATOM 0 HA GLU A 23 2.500 -9.155 10.187 1.00 44.21 H new ATOM 0 HB2 GLU A 23 5.535 -9.549 10.190 1.00 2.23 H new ATOM 0 HB3 GLU A 23 4.410 -10.700 10.882 1.00 2.23 H new ATOM 0 HG2 GLU A 23 3.388 -11.096 8.668 1.00 33.34 H new ATOM 0 HG3 GLU A 23 4.401 -9.861 7.947 1.00 33.34 H new ATOM 399 N LYS A 24 4.589 -7.502 12.179 1.00 0.31 N ATOM 400 CA LYS A 24 4.808 -6.971 13.542 1.00 52.32 C ATOM 401 C LYS A 24 3.701 -5.970 13.933 1.00 14.03 C ATOM 402 O LYS A 24 3.211 -5.980 15.066 1.00 42.33 O ATOM 403 CB LYS A 24 6.194 -6.283 13.641 1.00 41.40 C ATOM 404 CG LYS A 24 7.387 -7.214 13.355 1.00 22.34 C ATOM 405 CD LYS A 24 8.749 -6.486 13.417 1.00 31.03 C ATOM 406 CE LYS A 24 9.914 -7.407 13.026 1.00 70.31 C ATOM 407 NZ LYS A 24 9.792 -7.894 11.626 1.00 12.45 N ATOM 0 H LYS A 24 5.275 -7.173 11.500 1.00 0.31 H new ATOM 0 HA LYS A 24 4.776 -7.812 14.235 1.00 52.32 H new ATOM 0 HB2 LYS A 24 6.223 -5.449 12.940 1.00 41.40 H new ATOM 0 HB3 LYS A 24 6.307 -5.863 14.641 1.00 41.40 H new ATOM 0 HG2 LYS A 24 7.385 -8.031 14.077 1.00 22.34 H new ATOM 0 HG3 LYS A 24 7.264 -7.660 12.368 1.00 22.34 H new ATOM 0 HD2 LYS A 24 8.729 -5.624 12.750 1.00 31.03 H new ATOM 0 HD3 LYS A 24 8.911 -6.106 14.426 1.00 31.03 H new ATOM 0 HE2 LYS A 24 10.856 -6.870 13.143 1.00 70.31 H new ATOM 0 HE3 LYS A 24 9.946 -8.259 13.705 1.00 70.31 H new ATOM 0 HZ1 LYS A 24 9.740 -8.933 11.623 1.00 12.45 H new ATOM 0 HZ2 LYS A 24 8.929 -7.503 11.196 1.00 12.45 H new ATOM 0 HZ3 LYS A 24 10.621 -7.587 11.078 1.00 12.45 H new ATOM 421 N ALA A 25 3.318 -5.110 12.978 1.00 12.33 N ATOM 422 CA ALA A 25 2.291 -4.067 13.176 1.00 74.41 C ATOM 423 C ALA A 25 0.859 -4.639 13.082 1.00 51.10 C ATOM 424 O ALA A 25 -0.107 -3.930 13.398 1.00 12.23 O ATOM 425 CB ALA A 25 2.504 -2.959 12.133 1.00 45.33 C ATOM 0 H ALA A 25 3.713 -5.116 12.038 1.00 12.33 H new ATOM 0 HA ALA A 25 2.398 -3.658 14.181 1.00 74.41 H new ATOM 0 HB1 ALA A 25 1.751 -2.182 12.269 1.00 45.33 H new ATOM 0 HB2 ALA A 25 3.497 -2.528 12.258 1.00 45.33 H new ATOM 0 HB3 ALA A 25 2.415 -3.380 11.132 1.00 45.33 H new ATOM 431 N ASN A 26 0.758 -5.922 12.656 1.00 22.24 N ATOM 432 CA ASN A 26 -0.512 -6.616 12.356 1.00 44.45 C ATOM 433 C ASN A 26 -1.295 -5.836 11.286 1.00 31.04 C ATOM 434 O ASN A 26 -2.271 -5.131 11.567 1.00 42.41 O ATOM 435 CB ASN A 26 -1.350 -6.903 13.640 1.00 63.40 C ATOM 436 CG ASN A 26 -2.653 -7.676 13.363 1.00 1.21 C ATOM 437 OD1 ASN A 26 -3.716 -7.088 13.167 1.00 61.33 O ATOM 438 ND2 ASN A 26 -2.575 -8.997 13.334 1.00 1.11 N ATOM 0 H ASN A 26 1.576 -6.513 12.509 1.00 22.24 H new ATOM 0 HA ASN A 26 -0.280 -7.599 11.946 1.00 44.45 H new ATOM 0 HB2 ASN A 26 -0.741 -7.473 14.342 1.00 63.40 H new ATOM 0 HB3 ASN A 26 -1.594 -5.957 14.124 1.00 63.40 H new ATOM 0 HD21 ASN A 26 -3.409 -9.553 13.146 1.00 1.11 H new ATOM 0 HD22 ASN A 26 -1.681 -9.459 13.500 1.00 1.11 H new ATOM 445 N LEU A 27 -0.775 -5.903 10.061 1.00 62.30 N ATOM 446 CA LEU A 27 -1.343 -5.253 8.876 1.00 53.41 C ATOM 447 C LEU A 27 -1.382 -6.302 7.766 1.00 71.34 C ATOM 448 O LEU A 27 -0.383 -7.014 7.550 1.00 72.43 O ATOM 449 CB LEU A 27 -0.484 -4.026 8.426 1.00 1.54 C ATOM 450 CG LEU A 27 -0.207 -2.914 9.496 1.00 54.51 C ATOM 451 CD1 LEU A 27 0.688 -1.790 8.930 1.00 4.22 C ATOM 452 CD2 LEU A 27 -1.504 -2.328 10.076 1.00 14.30 C ATOM 0 H LEU A 27 0.077 -6.425 9.858 1.00 62.30 H new ATOM 0 HA LEU A 27 -2.340 -4.875 9.101 1.00 53.41 H new ATOM 0 HB2 LEU A 27 0.476 -4.399 8.070 1.00 1.54 H new ATOM 0 HB3 LEU A 27 -0.981 -3.560 7.575 1.00 1.54 H new ATOM 0 HG LEU A 27 0.329 -3.400 10.312 1.00 54.51 H new ATOM 0 HD11 LEU A 27 0.858 -1.038 9.700 1.00 4.22 H new ATOM 0 HD12 LEU A 27 1.644 -2.209 8.615 1.00 4.22 H new ATOM 0 HD13 LEU A 27 0.195 -1.328 8.075 1.00 4.22 H new ATOM 0 HD21 LEU A 27 -1.260 -1.562 10.812 1.00 14.30 H new ATOM 0 HD22 LEU A 27 -2.094 -1.885 9.274 1.00 14.30 H new ATOM 0 HD23 LEU A 27 -2.079 -3.121 10.554 1.00 14.30 H new ATOM 464 N GLU A 28 -2.526 -6.419 7.077 1.00 15.41 N ATOM 465 CA GLU A 28 -2.672 -7.373 5.972 1.00 14.12 C ATOM 466 C GLU A 28 -2.017 -6.780 4.718 1.00 11.53 C ATOM 467 O GLU A 28 -2.535 -5.830 4.130 1.00 41.41 O ATOM 468 CB GLU A 28 -4.171 -7.722 5.739 1.00 40.53 C ATOM 469 CG GLU A 28 -4.445 -8.660 4.534 1.00 45.31 C ATOM 470 CD GLU A 28 -3.630 -9.971 4.574 1.00 40.10 C ATOM 471 OE1 GLU A 28 -3.911 -10.826 5.439 1.00 72.01 O ATOM 472 OE2 GLU A 28 -2.690 -10.143 3.764 1.00 65.45 O ATOM 0 H GLU A 28 -3.361 -5.865 7.266 1.00 15.41 H new ATOM 0 HA GLU A 28 -2.170 -8.308 6.218 1.00 14.12 H new ATOM 0 HB2 GLU A 28 -4.564 -8.190 6.641 1.00 40.53 H new ATOM 0 HB3 GLU A 28 -4.726 -6.795 5.593 1.00 40.53 H new ATOM 0 HG2 GLU A 28 -5.507 -8.903 4.507 1.00 45.31 H new ATOM 0 HG3 GLU A 28 -4.217 -8.128 3.611 1.00 45.31 H new ATOM 479 N LEU A 29 -0.864 -7.346 4.325 1.00 54.45 N ATOM 480 CA LEU A 29 -0.058 -6.829 3.215 1.00 3.51 C ATOM 481 C LEU A 29 -0.339 -7.671 1.966 1.00 15.11 C ATOM 482 O LEU A 29 -0.169 -8.896 1.967 1.00 65.31 O ATOM 483 CB LEU A 29 1.455 -6.816 3.589 1.00 51.11 C ATOM 484 CG LEU A 29 2.449 -6.259 2.483 1.00 72.05 C ATOM 485 CD1 LEU A 29 3.568 -5.389 3.099 1.00 50.31 C ATOM 486 CD2 LEU A 29 3.065 -7.401 1.630 1.00 60.44 C ATOM 0 H LEU A 29 -0.468 -8.174 4.770 1.00 54.45 H new ATOM 0 HA LEU A 29 -0.333 -5.795 3.005 1.00 3.51 H new ATOM 0 HB2 LEU A 29 1.579 -6.219 4.492 1.00 51.11 H new ATOM 0 HB3 LEU A 29 1.755 -7.834 3.837 1.00 51.11 H new ATOM 0 HG LEU A 29 1.852 -5.628 1.825 1.00 72.05 H new ATOM 0 HD11 LEU A 29 4.226 -5.028 2.308 1.00 50.31 H new ATOM 0 HD12 LEU A 29 3.124 -4.539 3.618 1.00 50.31 H new ATOM 0 HD13 LEU A 29 4.145 -5.985 3.806 1.00 50.31 H new ATOM 0 HD21 LEU A 29 3.739 -6.976 0.886 1.00 60.44 H new ATOM 0 HD22 LEU A 29 3.621 -8.079 2.277 1.00 60.44 H new ATOM 0 HD23 LEU A 29 2.269 -7.950 1.127 1.00 60.44 H new ATOM 498 N ARG A 30 -0.779 -6.991 0.910 1.00 25.50 N ATOM 499 CA ARG A 30 -1.098 -7.572 -0.385 1.00 63.41 C ATOM 500 C ARG A 30 -0.139 -6.966 -1.415 1.00 40.35 C ATOM 501 O ARG A 30 -0.047 -5.731 -1.531 1.00 52.01 O ATOM 502 CB ARG A 30 -2.577 -7.267 -0.747 1.00 11.40 C ATOM 503 CG ARG A 30 -3.646 -7.814 0.238 1.00 2.01 C ATOM 504 CD ARG A 30 -3.812 -9.352 0.206 1.00 63.41 C ATOM 505 NE ARG A 30 -2.663 -10.071 0.785 1.00 35.11 N ATOM 506 CZ ARG A 30 -2.213 -11.277 0.396 1.00 40.52 C ATOM 507 NH1 ARG A 30 -2.809 -11.945 -0.591 1.00 32.11 N ATOM 508 NH2 ARG A 30 -1.158 -11.805 0.999 1.00 4.44 N ATOM 0 H ARG A 30 -0.928 -5.982 0.937 1.00 25.50 H new ATOM 0 HA ARG A 30 -0.981 -8.656 -0.368 1.00 63.41 H new ATOM 0 HB2 ARG A 30 -2.697 -6.186 -0.819 1.00 11.40 H new ATOM 0 HB3 ARG A 30 -2.780 -7.677 -1.736 1.00 11.40 H new ATOM 0 HG2 ARG A 30 -3.380 -7.510 1.250 1.00 2.01 H new ATOM 0 HG3 ARG A 30 -4.606 -7.352 0.008 1.00 2.01 H new ATOM 0 HD2 ARG A 30 -4.716 -9.625 0.751 1.00 63.41 H new ATOM 0 HD3 ARG A 30 -3.952 -9.675 -0.826 1.00 63.41 H new ATOM 0 HE ARG A 30 -2.165 -9.613 1.548 1.00 35.11 H new ATOM 0 HH11 ARG A 30 -3.619 -11.542 -1.063 1.00 32.11 H new ATOM 0 HH12 ARG A 30 -2.456 -12.859 -0.874 1.00 32.11 H new ATOM 0 HH21 ARG A 30 -0.694 -11.297 1.752 1.00 4.44 H new ATOM 0 HH22 ARG A 30 -0.810 -12.719 0.710 1.00 4.44 H new ATOM 522 N THR A 31 0.586 -7.827 -2.132 1.00 41.43 N ATOM 523 CA THR A 31 1.562 -7.421 -3.138 1.00 72.53 C ATOM 524 C THR A 31 0.832 -7.022 -4.432 1.00 14.44 C ATOM 525 O THR A 31 0.153 -7.847 -5.053 1.00 1.33 O ATOM 526 CB THR A 31 2.596 -8.576 -3.395 1.00 32.24 C ATOM 527 OG1 THR A 31 1.915 -9.824 -3.650 1.00 12.10 O ATOM 528 CG2 THR A 31 3.546 -8.761 -2.192 1.00 53.32 C ATOM 0 H THR A 31 0.509 -8.839 -2.027 1.00 41.43 H new ATOM 0 HA THR A 31 2.119 -6.556 -2.776 1.00 72.53 H new ATOM 0 HB THR A 31 3.182 -8.292 -4.269 1.00 32.24 H new ATOM 0 HG1 THR A 31 1.156 -9.666 -4.249 1.00 12.10 H new ATOM 0 HG21 THR A 31 4.248 -9.568 -2.403 1.00 53.32 H new ATOM 0 HG22 THR A 31 4.097 -7.837 -2.018 1.00 53.32 H new ATOM 0 HG23 THR A 31 2.965 -9.009 -1.304 1.00 53.32 H new ATOM 536 N VAL A 32 0.928 -5.738 -4.788 1.00 4.04 N ATOM 537 CA VAL A 32 0.381 -5.196 -6.035 1.00 61.14 C ATOM 538 C VAL A 32 1.530 -4.970 -7.029 1.00 40.51 C ATOM 539 O VAL A 32 2.607 -4.498 -6.647 1.00 12.43 O ATOM 540 CB VAL A 32 -0.388 -3.853 -5.774 1.00 15.34 C ATOM 541 CG1 VAL A 32 -0.868 -3.216 -7.095 1.00 74.12 C ATOM 542 CG2 VAL A 32 -1.564 -4.080 -4.795 1.00 63.23 C ATOM 0 H VAL A 32 1.393 -5.037 -4.211 1.00 4.04 H new ATOM 0 HA VAL A 32 -0.330 -5.909 -6.452 1.00 61.14 H new ATOM 0 HB VAL A 32 0.304 -3.151 -5.310 1.00 15.34 H new ATOM 0 HG11 VAL A 32 -1.397 -2.287 -6.880 1.00 74.12 H new ATOM 0 HG12 VAL A 32 -0.008 -3.005 -7.731 1.00 74.12 H new ATOM 0 HG13 VAL A 32 -1.539 -3.905 -7.609 1.00 74.12 H new ATOM 0 HG21 VAL A 32 -2.085 -3.137 -4.627 1.00 63.23 H new ATOM 0 HG22 VAL A 32 -2.257 -4.806 -5.221 1.00 63.23 H new ATOM 0 HG23 VAL A 32 -1.181 -4.457 -3.847 1.00 63.23 H new ATOM 552 N LYS A 33 1.298 -5.328 -8.301 1.00 61.11 N ATOM 553 CA LYS A 33 2.288 -5.163 -9.373 1.00 64.21 C ATOM 554 C LYS A 33 1.860 -4.021 -10.305 1.00 2.22 C ATOM 555 O LYS A 33 2.426 -2.930 -10.253 1.00 64.35 O ATOM 556 CB LYS A 33 2.465 -6.501 -10.141 1.00 11.23 C ATOM 557 CG LYS A 33 2.882 -7.678 -9.238 1.00 31.41 C ATOM 558 CD LYS A 33 4.225 -7.428 -8.506 1.00 41.32 C ATOM 559 CE LYS A 33 4.538 -8.517 -7.471 1.00 65.14 C ATOM 560 NZ LYS A 33 4.494 -9.887 -8.055 1.00 53.03 N ATOM 0 H LYS A 33 0.419 -5.740 -8.614 1.00 61.11 H new ATOM 0 HA LYS A 33 3.255 -4.898 -8.945 1.00 64.21 H new ATOM 0 HB2 LYS A 33 1.529 -6.751 -10.640 1.00 11.23 H new ATOM 0 HB3 LYS A 33 3.216 -6.367 -10.920 1.00 11.23 H new ATOM 0 HG2 LYS A 33 2.100 -7.859 -8.501 1.00 31.41 H new ATOM 0 HG3 LYS A 33 2.966 -8.581 -9.842 1.00 31.41 H new ATOM 0 HD2 LYS A 33 5.032 -7.383 -9.238 1.00 41.32 H new ATOM 0 HD3 LYS A 33 4.190 -6.458 -8.010 1.00 41.32 H new ATOM 0 HE2 LYS A 33 5.526 -8.338 -7.047 1.00 65.14 H new ATOM 0 HE3 LYS A 33 3.822 -8.451 -6.651 1.00 65.14 H new ATOM 0 HZ1 LYS A 33 4.794 -10.579 -7.339 1.00 53.03 H new ATOM 0 HZ2 LYS A 33 3.524 -10.103 -8.360 1.00 53.03 H new ATOM 0 HZ3 LYS A 33 5.133 -9.936 -8.874 1.00 53.03 H new ATOM 574 N THR A 34 0.831 -4.280 -11.127 1.00 74.44 N ATOM 575 CA THR A 34 0.311 -3.315 -12.104 1.00 41.21 C ATOM 576 C THR A 34 -0.893 -2.557 -11.523 1.00 75.42 C ATOM 577 O THR A 34 -1.361 -2.848 -10.411 1.00 75.21 O ATOM 578 CB THR A 34 -0.122 -4.056 -13.413 1.00 43.12 C ATOM 579 OG1 THR A 34 -1.153 -5.011 -13.102 1.00 31.53 O ATOM 580 CG2 THR A 34 1.060 -4.783 -14.081 1.00 30.15 C ATOM 0 H THR A 34 0.334 -5.171 -11.131 1.00 74.44 H new ATOM 0 HA THR A 34 1.102 -2.601 -12.336 1.00 41.21 H new ATOM 0 HB THR A 34 -0.493 -3.307 -14.113 1.00 43.12 H new ATOM 0 HG1 THR A 34 -1.315 -5.583 -13.881 1.00 31.53 H new ATOM 0 HG21 THR A 34 0.715 -5.284 -14.986 1.00 30.15 H new ATOM 0 HG22 THR A 34 1.833 -4.059 -14.339 1.00 30.15 H new ATOM 0 HG23 THR A 34 1.470 -5.521 -13.392 1.00 30.15 H new ATOM 588 N GLU A 35 -1.403 -1.585 -12.306 1.00 73.54 N ATOM 589 CA GLU A 35 -2.630 -0.846 -11.964 1.00 35.21 C ATOM 590 C GLU A 35 -3.854 -1.780 -12.010 1.00 45.15 C ATOM 591 O GLU A 35 -4.838 -1.534 -11.328 1.00 12.12 O ATOM 592 CB GLU A 35 -2.860 0.363 -12.913 1.00 31.43 C ATOM 593 CG GLU A 35 -3.323 0.018 -14.346 1.00 5.12 C ATOM 594 CD GLU A 35 -2.269 -0.714 -15.189 1.00 61.43 C ATOM 595 OE1 GLU A 35 -1.361 -0.042 -15.712 1.00 44.40 O ATOM 596 OE2 GLU A 35 -2.345 -1.955 -15.338 1.00 21.11 O ATOM 0 H GLU A 35 -0.978 -1.294 -13.186 1.00 73.54 H new ATOM 0 HA GLU A 35 -2.503 -0.463 -10.951 1.00 35.21 H new ATOM 0 HB2 GLU A 35 -3.603 1.019 -12.460 1.00 31.43 H new ATOM 0 HB3 GLU A 35 -1.932 0.930 -12.979 1.00 31.43 H new ATOM 0 HG2 GLU A 35 -4.219 -0.601 -14.287 1.00 5.12 H new ATOM 0 HG3 GLU A 35 -3.605 0.939 -14.856 1.00 5.12 H new ATOM 603 N ASP A 36 -3.767 -2.836 -12.849 1.00 52.03 N ATOM 604 CA ASP A 36 -4.805 -3.874 -12.975 1.00 23.21 C ATOM 605 C ASP A 36 -4.957 -4.634 -11.649 1.00 45.52 C ATOM 606 O ASP A 36 -6.074 -4.958 -11.232 1.00 33.22 O ATOM 607 CB ASP A 36 -4.447 -4.842 -14.135 1.00 2.23 C ATOM 608 CG ASP A 36 -5.484 -5.960 -14.332 1.00 64.21 C ATOM 609 OD1 ASP A 36 -6.582 -5.679 -14.852 1.00 54.10 O ATOM 610 OD2 ASP A 36 -5.225 -7.120 -13.948 1.00 34.35 O ATOM 0 H ASP A 36 -2.966 -2.990 -13.461 1.00 52.03 H new ATOM 0 HA ASP A 36 -5.760 -3.401 -13.205 1.00 23.21 H new ATOM 0 HB2 ASP A 36 -4.356 -4.273 -15.060 1.00 2.23 H new ATOM 0 HB3 ASP A 36 -3.473 -5.289 -13.939 1.00 2.23 H new ATOM 615 N GLU A 37 -3.812 -4.897 -10.994 1.00 45.14 N ATOM 616 CA GLU A 37 -3.778 -5.517 -9.663 1.00 34.31 C ATOM 617 C GLU A 37 -4.264 -4.520 -8.593 1.00 52.11 C ATOM 618 O GLU A 37 -4.980 -4.905 -7.669 1.00 52.22 O ATOM 619 CB GLU A 37 -2.350 -6.044 -9.325 1.00 73.23 C ATOM 620 CG GLU A 37 -1.757 -7.001 -10.378 1.00 64.43 C ATOM 621 CD GLU A 37 -2.726 -8.129 -10.785 1.00 2.04 C ATOM 622 OE1 GLU A 37 -3.086 -8.961 -9.929 1.00 32.51 O ATOM 623 OE2 GLU A 37 -3.156 -8.179 -11.960 1.00 12.11 O ATOM 0 H GLU A 37 -2.889 -4.686 -11.373 1.00 45.14 H new ATOM 0 HA GLU A 37 -4.454 -6.372 -9.669 1.00 34.31 H new ATOM 0 HB2 GLU A 37 -1.680 -5.192 -9.208 1.00 73.23 H new ATOM 0 HB3 GLU A 37 -2.384 -6.557 -8.364 1.00 73.23 H new ATOM 0 HG2 GLU A 37 -1.481 -6.430 -11.264 1.00 64.43 H new ATOM 0 HG3 GLU A 37 -0.841 -7.442 -9.985 1.00 64.43 H new ATOM 630 N LEU A 38 -3.901 -3.234 -8.766 1.00 4.34 N ATOM 631 CA LEU A 38 -4.241 -2.159 -7.809 1.00 44.23 C ATOM 632 C LEU A 38 -5.770 -1.977 -7.747 1.00 34.55 C ATOM 633 O LEU A 38 -6.359 -2.016 -6.663 1.00 33.42 O ATOM 634 CB LEU A 38 -3.493 -0.836 -8.207 1.00 12.30 C ATOM 635 CG LEU A 38 -3.351 0.290 -7.106 1.00 64.24 C ATOM 636 CD1 LEU A 38 -4.622 1.155 -6.955 1.00 61.31 C ATOM 637 CD2 LEU A 38 -2.926 -0.317 -5.740 1.00 24.12 C ATOM 0 H LEU A 38 -3.365 -2.910 -9.571 1.00 4.34 H new ATOM 0 HA LEU A 38 -3.908 -2.431 -6.807 1.00 44.23 H new ATOM 0 HB2 LEU A 38 -2.491 -1.105 -8.542 1.00 12.30 H new ATOM 0 HB3 LEU A 38 -4.010 -0.404 -9.064 1.00 12.30 H new ATOM 0 HG LEU A 38 -2.563 0.959 -7.452 1.00 64.24 H new ATOM 0 HD11 LEU A 38 -4.460 1.909 -6.184 1.00 61.31 H new ATOM 0 HD12 LEU A 38 -4.842 1.647 -7.903 1.00 61.31 H new ATOM 0 HD13 LEU A 38 -5.462 0.521 -6.671 1.00 61.31 H new ATOM 0 HD21 LEU A 38 -2.836 0.479 -5.001 1.00 24.12 H new ATOM 0 HD22 LEU A 38 -3.678 -1.034 -5.411 1.00 24.12 H new ATOM 0 HD23 LEU A 38 -1.966 -0.822 -5.849 1.00 24.12 H new ATOM 649 N LYS A 39 -6.389 -1.862 -8.936 1.00 61.32 N ATOM 650 CA LYS A 39 -7.851 -1.733 -9.104 1.00 1.11 C ATOM 651 C LYS A 39 -8.573 -2.992 -8.594 1.00 41.31 C ATOM 652 O LYS A 39 -9.637 -2.893 -7.995 1.00 71.10 O ATOM 653 CB LYS A 39 -8.205 -1.525 -10.595 1.00 63.12 C ATOM 654 CG LYS A 39 -7.718 -0.204 -11.231 1.00 71.14 C ATOM 655 CD LYS A 39 -7.950 -0.191 -12.767 1.00 64.14 C ATOM 656 CE LYS A 39 -9.429 -0.407 -13.140 1.00 25.42 C ATOM 657 NZ LYS A 39 -9.631 -0.575 -14.603 1.00 44.22 N ATOM 0 H LYS A 39 -5.882 -1.856 -9.821 1.00 61.32 H new ATOM 0 HA LYS A 39 -8.177 -0.870 -8.523 1.00 1.11 H new ATOM 0 HB2 LYS A 39 -7.788 -2.355 -11.166 1.00 63.12 H new ATOM 0 HB3 LYS A 39 -9.289 -1.578 -10.701 1.00 63.12 H new ATOM 0 HG2 LYS A 39 -8.243 0.635 -10.776 1.00 71.14 H new ATOM 0 HG3 LYS A 39 -6.657 -0.068 -11.021 1.00 71.14 H new ATOM 0 HD2 LYS A 39 -7.611 0.761 -13.175 1.00 64.14 H new ATOM 0 HD3 LYS A 39 -7.344 -0.970 -13.230 1.00 64.14 H new ATOM 0 HE2 LYS A 39 -9.806 -1.289 -12.621 1.00 25.42 H new ATOM 0 HE3 LYS A 39 -10.016 0.443 -12.791 1.00 25.42 H new ATOM 0 HZ1 LYS A 39 -10.642 -0.717 -14.800 1.00 44.22 H new ATOM 0 HZ2 LYS A 39 -9.298 0.276 -15.099 1.00 44.22 H new ATOM 0 HZ3 LYS A 39 -9.094 -1.402 -14.935 1.00 44.22 H new ATOM 671 N LYS A 40 -7.963 -4.164 -8.853 1.00 12.05 N ATOM 672 CA LYS A 40 -8.488 -5.486 -8.444 1.00 34.25 C ATOM 673 C LYS A 40 -8.686 -5.552 -6.918 1.00 1.35 C ATOM 674 O LYS A 40 -9.714 -6.039 -6.424 1.00 30.13 O ATOM 675 CB LYS A 40 -7.490 -6.573 -8.918 1.00 5.20 C ATOM 676 CG LYS A 40 -7.887 -8.035 -8.635 1.00 72.42 C ATOM 677 CD LYS A 40 -6.814 -9.067 -9.095 1.00 14.44 C ATOM 678 CE LYS A 40 -6.645 -9.179 -10.631 1.00 70.25 C ATOM 679 NZ LYS A 40 -5.979 -7.996 -11.251 1.00 61.51 N ATOM 0 H LYS A 40 -7.079 -4.223 -9.359 1.00 12.05 H new ATOM 0 HA LYS A 40 -9.463 -5.653 -8.902 1.00 34.25 H new ATOM 0 HB2 LYS A 40 -7.346 -6.460 -9.992 1.00 5.20 H new ATOM 0 HB3 LYS A 40 -6.527 -6.382 -8.445 1.00 5.20 H new ATOM 0 HG2 LYS A 40 -8.062 -8.156 -7.566 1.00 72.42 H new ATOM 0 HG3 LYS A 40 -8.829 -8.252 -9.139 1.00 72.42 H new ATOM 0 HD2 LYS A 40 -5.854 -8.794 -8.656 1.00 14.44 H new ATOM 0 HD3 LYS A 40 -7.078 -10.048 -8.699 1.00 14.44 H new ATOM 0 HE2 LYS A 40 -6.064 -10.072 -10.859 1.00 70.25 H new ATOM 0 HE3 LYS A 40 -7.626 -9.312 -11.086 1.00 70.25 H new ATOM 0 HZ1 LYS A 40 -6.643 -7.522 -11.896 1.00 61.51 H new ATOM 0 HZ2 LYS A 40 -5.687 -7.332 -10.506 1.00 61.51 H new ATOM 0 HZ3 LYS A 40 -5.142 -8.308 -11.783 1.00 61.51 H new ATOM 693 N TYR A 41 -7.691 -5.027 -6.191 1.00 35.21 N ATOM 694 CA TYR A 41 -7.722 -4.964 -4.721 1.00 64.12 C ATOM 695 C TYR A 41 -8.681 -3.871 -4.227 1.00 51.30 C ATOM 696 O TYR A 41 -9.335 -4.053 -3.200 1.00 34.31 O ATOM 697 CB TYR A 41 -6.291 -4.782 -4.145 1.00 4.12 C ATOM 698 CG TYR A 41 -5.496 -6.097 -4.130 1.00 11.11 C ATOM 699 CD1 TYR A 41 -5.779 -7.081 -3.181 1.00 42.14 C ATOM 700 CD2 TYR A 41 -4.513 -6.383 -5.083 1.00 71.23 C ATOM 701 CE1 TYR A 41 -5.118 -8.286 -3.191 1.00 65.12 C ATOM 702 CE2 TYR A 41 -3.842 -7.588 -5.084 1.00 73.15 C ATOM 703 CZ TYR A 41 -4.155 -8.535 -4.137 1.00 65.22 C ATOM 704 OH TYR A 41 -3.517 -9.745 -4.142 1.00 61.22 O ATOM 0 H TYR A 41 -6.844 -4.635 -6.602 1.00 35.21 H new ATOM 0 HA TYR A 41 -8.106 -5.914 -4.351 1.00 64.12 H new ATOM 0 HB2 TYR A 41 -5.754 -4.042 -4.739 1.00 4.12 H new ATOM 0 HB3 TYR A 41 -6.357 -4.389 -3.131 1.00 4.12 H new ATOM 0 HD1 TYR A 41 -6.529 -6.892 -2.427 1.00 42.14 H new ATOM 0 HD2 TYR A 41 -4.274 -5.645 -5.834 1.00 71.23 H new ATOM 0 HE1 TYR A 41 -5.357 -9.038 -2.454 1.00 65.12 H new ATOM 0 HE2 TYR A 41 -3.078 -7.786 -5.821 1.00 73.15 H new ATOM 0 HH TYR A 41 -2.864 -9.768 -4.872 1.00 61.22 H new ATOM 714 N LEU A 42 -8.776 -2.758 -4.976 1.00 24.12 N ATOM 715 CA LEU A 42 -9.714 -1.660 -4.664 1.00 12.20 C ATOM 716 C LEU A 42 -11.184 -2.152 -4.677 1.00 75.03 C ATOM 717 O LEU A 42 -11.934 -1.883 -3.740 1.00 2.01 O ATOM 718 CB LEU A 42 -9.550 -0.481 -5.656 1.00 54.23 C ATOM 719 CG LEU A 42 -8.212 0.314 -5.610 1.00 51.51 C ATOM 720 CD1 LEU A 42 -8.217 1.425 -6.678 1.00 74.43 C ATOM 721 CD2 LEU A 42 -7.918 0.879 -4.200 1.00 1.14 C ATOM 0 H LEU A 42 -8.210 -2.593 -5.809 1.00 24.12 H new ATOM 0 HA LEU A 42 -9.472 -1.310 -3.660 1.00 12.20 H new ATOM 0 HB2 LEU A 42 -9.675 -0.871 -6.666 1.00 54.23 H new ATOM 0 HB3 LEU A 42 -10.365 0.221 -5.482 1.00 54.23 H new ATOM 0 HG LEU A 42 -7.402 -0.379 -5.837 1.00 51.51 H new ATOM 0 HD11 LEU A 42 -7.276 1.974 -6.636 1.00 74.43 H new ATOM 0 HD12 LEU A 42 -8.334 0.979 -7.666 1.00 74.43 H new ATOM 0 HD13 LEU A 42 -9.045 2.108 -6.488 1.00 74.43 H new ATOM 0 HD21 LEU A 42 -6.975 1.426 -4.216 1.00 1.14 H new ATOM 0 HD22 LEU A 42 -8.722 1.552 -3.903 1.00 1.14 H new ATOM 0 HD23 LEU A 42 -7.849 0.058 -3.486 1.00 1.14 H new ATOM 733 N GLU A 43 -11.555 -2.902 -5.729 1.00 34.50 N ATOM 734 CA GLU A 43 -12.918 -3.469 -5.904 1.00 13.11 C ATOM 735 C GLU A 43 -13.291 -4.401 -4.738 1.00 14.14 C ATOM 736 O GLU A 43 -14.459 -4.454 -4.324 1.00 35.02 O ATOM 737 CB GLU A 43 -13.002 -4.215 -7.260 1.00 21.14 C ATOM 738 CG GLU A 43 -12.778 -3.305 -8.486 1.00 45.01 C ATOM 739 CD GLU A 43 -12.551 -4.084 -9.790 1.00 1.21 C ATOM 740 OE1 GLU A 43 -11.535 -4.797 -9.886 1.00 11.51 O ATOM 741 OE2 GLU A 43 -13.370 -3.975 -10.724 1.00 33.13 O ATOM 0 H GLU A 43 -10.919 -3.138 -6.491 1.00 34.50 H new ATOM 0 HA GLU A 43 -13.638 -2.650 -5.905 1.00 13.11 H new ATOM 0 HB2 GLU A 43 -12.260 -5.013 -7.271 1.00 21.14 H new ATOM 0 HB3 GLU A 43 -13.981 -4.688 -7.344 1.00 21.14 H new ATOM 0 HG2 GLU A 43 -13.642 -2.652 -8.607 1.00 45.01 H new ATOM 0 HG3 GLU A 43 -11.917 -2.663 -8.300 1.00 45.01 H new ATOM 748 N GLU A 44 -12.274 -5.098 -4.204 1.00 33.13 N ATOM 749 CA GLU A 44 -12.411 -5.930 -3.000 1.00 63.42 C ATOM 750 C GLU A 44 -12.709 -5.034 -1.771 1.00 33.34 C ATOM 751 O GLU A 44 -13.624 -5.311 -0.988 1.00 74.52 O ATOM 752 CB GLU A 44 -11.110 -6.757 -2.779 1.00 61.35 C ATOM 753 CG GLU A 44 -11.202 -7.833 -1.677 1.00 53.43 C ATOM 754 CD GLU A 44 -12.203 -8.956 -2.017 1.00 72.44 C ATOM 755 OE1 GLU A 44 -11.826 -9.911 -2.738 1.00 52.51 O ATOM 756 OE2 GLU A 44 -13.376 -8.891 -1.588 1.00 65.25 O ATOM 0 H GLU A 44 -11.333 -5.099 -4.597 1.00 33.13 H new ATOM 0 HA GLU A 44 -13.243 -6.622 -3.131 1.00 63.42 H new ATOM 0 HB2 GLU A 44 -10.841 -7.242 -3.718 1.00 61.35 H new ATOM 0 HB3 GLU A 44 -10.299 -6.072 -2.530 1.00 61.35 H new ATOM 0 HG2 GLU A 44 -10.215 -8.268 -1.518 1.00 53.43 H new ATOM 0 HG3 GLU A 44 -11.497 -7.362 -0.740 1.00 53.43 H new ATOM 763 N PHE A 45 -11.942 -3.933 -1.651 1.00 60.23 N ATOM 764 CA PHE A 45 -12.042 -2.975 -0.521 1.00 20.53 C ATOM 765 C PHE A 45 -13.279 -2.053 -0.621 1.00 35.14 C ATOM 766 O PHE A 45 -13.593 -1.339 0.339 1.00 12.02 O ATOM 767 CB PHE A 45 -10.736 -2.143 -0.408 1.00 71.43 C ATOM 768 CG PHE A 45 -9.471 -2.984 -0.172 1.00 23.02 C ATOM 769 CD1 PHE A 45 -9.513 -4.163 0.586 1.00 1.33 C ATOM 770 CD2 PHE A 45 -8.245 -2.620 -0.734 1.00 34.41 C ATOM 771 CE1 PHE A 45 -8.378 -4.927 0.782 1.00 0.35 C ATOM 772 CE2 PHE A 45 -7.116 -3.392 -0.535 1.00 73.11 C ATOM 773 CZ PHE A 45 -7.181 -4.548 0.216 1.00 61.54 C ATOM 0 H PHE A 45 -11.231 -3.678 -2.336 1.00 60.23 H new ATOM 0 HA PHE A 45 -12.173 -3.563 0.388 1.00 20.53 H new ATOM 0 HB2 PHE A 45 -10.608 -1.563 -1.322 1.00 71.43 H new ATOM 0 HB3 PHE A 45 -10.842 -1.430 0.410 1.00 71.43 H new ATOM 0 HD1 PHE A 45 -10.448 -4.479 1.024 1.00 1.33 H new ATOM 0 HD2 PHE A 45 -8.178 -1.723 -1.332 1.00 34.41 H new ATOM 0 HE1 PHE A 45 -8.430 -5.824 1.381 1.00 0.35 H new ATOM 0 HE2 PHE A 45 -6.176 -3.088 -0.971 1.00 73.11 H new ATOM 0 HZ PHE A 45 -6.298 -5.152 0.359 1.00 61.54 H new ATOM 783 N ARG A 46 -13.959 -2.063 -1.781 1.00 74.35 N ATOM 784 CA ARG A 46 -15.261 -1.382 -1.958 1.00 43.22 C ATOM 785 C ARG A 46 -16.360 -2.178 -1.250 1.00 71.51 C ATOM 786 O ARG A 46 -17.236 -1.607 -0.591 1.00 31.14 O ATOM 787 CB ARG A 46 -15.630 -1.234 -3.456 1.00 43.43 C ATOM 788 CG ARG A 46 -14.709 -0.302 -4.261 1.00 33.03 C ATOM 789 CD ARG A 46 -15.153 -0.186 -5.727 1.00 43.53 C ATOM 790 NE ARG A 46 -16.537 0.304 -5.835 1.00 62.33 N ATOM 791 CZ ARG A 46 -17.362 0.105 -6.873 1.00 72.12 C ATOM 792 NH1 ARG A 46 -16.971 -0.586 -7.946 1.00 11.23 N ATOM 793 NH2 ARG A 46 -18.583 0.609 -6.826 1.00 44.44 N ATOM 0 H ARG A 46 -13.627 -2.539 -2.620 1.00 74.35 H new ATOM 0 HA ARG A 46 -15.175 -0.385 -1.525 1.00 43.22 H new ATOM 0 HB2 ARG A 46 -15.617 -2.221 -3.918 1.00 43.43 H new ATOM 0 HB3 ARG A 46 -16.652 -0.862 -3.528 1.00 43.43 H new ATOM 0 HG2 ARG A 46 -14.704 0.687 -3.804 1.00 33.03 H new ATOM 0 HG3 ARG A 46 -13.687 -0.677 -4.220 1.00 33.03 H new ATOM 0 HD2 ARG A 46 -14.484 0.491 -6.258 1.00 43.53 H new ATOM 0 HD3 ARG A 46 -15.072 -1.159 -6.211 1.00 43.53 H new ATOM 0 HE ARG A 46 -16.901 0.843 -5.050 1.00 62.33 H new ATOM 0 HH11 ARG A 46 -16.029 -0.974 -7.987 1.00 11.23 H new ATOM 0 HH12 ARG A 46 -17.615 -0.726 -8.725 1.00 11.23 H new ATOM 0 HH21 ARG A 46 -18.885 1.140 -6.009 1.00 44.44 H new ATOM 0 HH22 ARG A 46 -19.224 0.467 -7.607 1.00 44.44 H new ATOM 807 N LYS A 47 -16.270 -3.513 -1.383 1.00 42.14 N ATOM 808 CA LYS A 47 -17.233 -4.466 -0.786 1.00 1.53 C ATOM 809 C LYS A 47 -17.251 -4.349 0.750 1.00 62.24 C ATOM 810 O LYS A 47 -18.256 -4.670 1.397 1.00 55.25 O ATOM 811 CB LYS A 47 -16.864 -5.916 -1.207 1.00 13.13 C ATOM 812 CG LYS A 47 -16.780 -6.134 -2.734 1.00 52.43 C ATOM 813 CD LYS A 47 -16.364 -7.575 -3.125 1.00 11.42 C ATOM 814 CE LYS A 47 -17.378 -8.638 -2.666 1.00 53.23 C ATOM 815 NZ LYS A 47 -18.741 -8.414 -3.231 1.00 70.13 N ATOM 0 H LYS A 47 -15.524 -3.967 -1.910 1.00 42.14 H new ATOM 0 HA LYS A 47 -18.230 -4.223 -1.154 1.00 1.53 H new ATOM 0 HB2 LYS A 47 -15.904 -6.178 -0.761 1.00 13.13 H new ATOM 0 HB3 LYS A 47 -17.605 -6.601 -0.794 1.00 13.13 H new ATOM 0 HG2 LYS A 47 -17.749 -5.909 -3.180 1.00 52.43 H new ATOM 0 HG3 LYS A 47 -16.064 -5.429 -3.156 1.00 52.43 H new ATOM 0 HD2 LYS A 47 -16.249 -7.633 -4.207 1.00 11.42 H new ATOM 0 HD3 LYS A 47 -15.390 -7.797 -2.689 1.00 11.42 H new ATOM 0 HE2 LYS A 47 -17.023 -9.625 -2.963 1.00 53.23 H new ATOM 0 HE3 LYS A 47 -17.435 -8.634 -1.577 1.00 53.23 H new ATOM 0 HZ1 LYS A 47 -19.358 -9.211 -2.974 1.00 70.13 H new ATOM 0 HZ2 LYS A 47 -19.136 -7.532 -2.846 1.00 70.13 H new ATOM 0 HZ3 LYS A 47 -18.680 -8.343 -4.267 1.00 70.13 H new ATOM 829 N GLU A 48 -16.129 -3.860 1.298 1.00 74.52 N ATOM 830 CA GLU A 48 -15.905 -3.711 2.736 1.00 3.13 C ATOM 831 C GLU A 48 -15.455 -2.268 3.063 1.00 33.32 C ATOM 832 O GLU A 48 -14.674 -2.051 3.997 1.00 15.12 O ATOM 833 CB GLU A 48 -14.830 -4.749 3.159 1.00 72.30 C ATOM 834 CG GLU A 48 -13.480 -4.575 2.424 1.00 31.24 C ATOM 835 CD GLU A 48 -12.468 -5.685 2.708 1.00 22.23 C ATOM 836 OE1 GLU A 48 -12.119 -5.878 3.884 1.00 12.10 O ATOM 837 OE2 GLU A 48 -12.019 -6.374 1.763 1.00 44.12 O ATOM 0 H GLU A 48 -15.336 -3.551 0.737 1.00 74.52 H new ATOM 0 HA GLU A 48 -16.826 -3.892 3.290 1.00 3.13 H new ATOM 0 HB2 GLU A 48 -14.663 -4.669 4.233 1.00 72.30 H new ATOM 0 HB3 GLU A 48 -15.211 -5.752 2.969 1.00 72.30 H new ATOM 0 HG2 GLU A 48 -13.666 -4.533 1.351 1.00 31.24 H new ATOM 0 HG3 GLU A 48 -13.043 -3.618 2.710 1.00 31.24 H new ATOM 844 N SER A 49 -15.985 -1.280 2.306 1.00 15.32 N ATOM 845 CA SER A 49 -15.670 0.154 2.514 1.00 52.01 C ATOM 846 C SER A 49 -16.356 0.723 3.788 1.00 2.03 C ATOM 847 O SER A 49 -17.276 1.548 3.714 1.00 41.12 O ATOM 848 CB SER A 49 -16.056 0.964 1.247 1.00 41.44 C ATOM 849 OG SER A 49 -17.424 0.770 0.901 1.00 61.41 O ATOM 0 H SER A 49 -16.637 -1.451 1.540 1.00 15.32 H new ATOM 0 HA SER A 49 -14.596 0.248 2.677 1.00 52.01 H new ATOM 0 HB2 SER A 49 -15.870 2.024 1.421 1.00 41.44 H new ATOM 0 HB3 SER A 49 -15.422 0.662 0.413 1.00 41.44 H new ATOM 0 HG SER A 49 -17.513 -0.044 0.363 1.00 61.41 H new ATOM 855 N GLN A 50 -15.885 0.261 4.959 1.00 61.44 N ATOM 856 CA GLN A 50 -16.419 0.637 6.283 1.00 35.01 C ATOM 857 C GLN A 50 -15.351 0.364 7.363 1.00 1.11 C ATOM 858 O GLN A 50 -14.850 -0.756 7.469 1.00 4.14 O ATOM 859 CB GLN A 50 -17.799 -0.065 6.578 1.00 11.31 C ATOM 860 CG GLN A 50 -17.993 -1.529 6.090 1.00 42.32 C ATOM 861 CD GLN A 50 -17.289 -2.610 6.913 1.00 24.10 C ATOM 862 OE1 GLN A 50 -16.105 -3.010 6.499 1.00 65.42 O flip ATOM 863 NE2 GLN A 50 -17.815 -3.087 7.917 1.00 3.03 N flip ATOM 0 H GLN A 50 -15.108 -0.397 5.015 1.00 61.44 H new ATOM 0 HA GLN A 50 -16.636 1.705 6.295 1.00 35.01 H new ATOM 0 HB2 GLN A 50 -17.958 -0.049 7.656 1.00 11.31 H new ATOM 0 HB3 GLN A 50 -18.585 0.543 6.131 1.00 11.31 H new ATOM 0 HG2 GLN A 50 -19.061 -1.748 6.077 1.00 42.32 H new ATOM 0 HG3 GLN A 50 -17.641 -1.597 5.061 1.00 42.32 H new ATOM 0 HE21 GLN A 50 -18.733 -2.759 8.216 1.00 3.03 H new ATOM 0 HE22 GLN A 50 -17.333 -3.810 8.451 1.00 3.03 H new ATOM 872 N ASN A 51 -14.956 1.434 8.107 1.00 45.53 N ATOM 873 CA ASN A 51 -13.868 1.385 9.128 1.00 11.12 C ATOM 874 C ASN A 51 -12.549 0.853 8.517 1.00 33.11 C ATOM 875 O ASN A 51 -11.723 0.250 9.212 1.00 0.23 O ATOM 876 CB ASN A 51 -14.287 0.543 10.377 1.00 22.14 C ATOM 877 CG ASN A 51 -15.338 1.219 11.267 1.00 10.11 C ATOM 878 OD1 ASN A 51 -16.154 2.019 10.807 1.00 11.11 O ATOM 879 ND2 ASN A 51 -15.324 0.899 12.552 1.00 14.11 N ATOM 0 H ASN A 51 -15.383 2.356 8.017 1.00 45.53 H new ATOM 0 HA ASN A 51 -13.694 2.407 9.465 1.00 11.12 H new ATOM 0 HB2 ASN A 51 -14.676 -0.418 10.040 1.00 22.14 H new ATOM 0 HB3 ASN A 51 -13.400 0.335 10.975 1.00 22.14 H new ATOM 0 HD21 ASN A 51 -16.001 1.318 13.189 1.00 14.11 H new ATOM 0 HD22 ASN A 51 -14.636 0.233 12.904 1.00 14.11 H new ATOM 886 N ILE A 52 -12.344 1.128 7.220 1.00 41.13 N ATOM 887 CA ILE A 52 -11.222 0.577 6.450 1.00 21.31 C ATOM 888 C ILE A 52 -10.189 1.671 6.137 1.00 25.23 C ATOM 889 O ILE A 52 -10.533 2.843 5.916 1.00 13.32 O ATOM 890 CB ILE A 52 -11.731 -0.119 5.129 1.00 14.22 C ATOM 891 CG1 ILE A 52 -10.573 -0.884 4.404 1.00 44.12 C ATOM 892 CG2 ILE A 52 -12.416 0.893 4.176 1.00 2.51 C ATOM 893 CD1 ILE A 52 -11.014 -1.737 3.230 1.00 43.04 C ATOM 0 H ILE A 52 -12.953 1.739 6.676 1.00 41.13 H new ATOM 0 HA ILE A 52 -10.733 -0.184 7.059 1.00 21.31 H new ATOM 0 HB ILE A 52 -12.482 -0.853 5.420 1.00 14.22 H new ATOM 0 HG12 ILE A 52 -9.840 -0.158 4.053 1.00 44.12 H new ATOM 0 HG13 ILE A 52 -10.067 -1.522 5.129 1.00 44.12 H new ATOM 0 HG21 ILE A 52 -12.753 0.376 3.278 1.00 2.51 H new ATOM 0 HG22 ILE A 52 -13.272 1.344 4.678 1.00 2.51 H new ATOM 0 HG23 ILE A 52 -11.705 1.672 3.901 1.00 2.51 H new ATOM 0 HD11 ILE A 52 -10.146 -2.228 2.791 1.00 43.04 H new ATOM 0 HD12 ILE A 52 -11.722 -2.491 3.574 1.00 43.04 H new ATOM 0 HD13 ILE A 52 -11.491 -1.106 2.481 1.00 43.04 H new ATOM 905 N LYS A 53 -8.915 1.273 6.180 1.00 4.53 N ATOM 906 CA LYS A 53 -7.760 2.112 5.864 1.00 22.43 C ATOM 907 C LYS A 53 -6.813 1.291 4.985 1.00 54.01 C ATOM 908 O LYS A 53 -6.429 0.184 5.369 1.00 13.54 O ATOM 909 CB LYS A 53 -7.031 2.520 7.173 1.00 32.40 C ATOM 910 CG LYS A 53 -7.856 3.379 8.148 1.00 65.51 C ATOM 911 CD LYS A 53 -7.170 3.579 9.513 1.00 44.33 C ATOM 912 CE LYS A 53 -5.763 4.183 9.403 1.00 15.13 C ATOM 913 NZ LYS A 53 -5.796 5.550 8.825 1.00 61.05 N ATOM 0 H LYS A 53 -8.652 0.324 6.445 1.00 4.53 H new ATOM 0 HA LYS A 53 -8.078 3.017 5.346 1.00 22.43 H new ATOM 0 HB2 LYS A 53 -6.716 1.614 7.691 1.00 32.40 H new ATOM 0 HB3 LYS A 53 -6.126 3.068 6.909 1.00 32.40 H new ATOM 0 HG2 LYS A 53 -8.041 4.353 7.696 1.00 65.51 H new ATOM 0 HG3 LYS A 53 -8.827 2.910 8.303 1.00 65.51 H new ATOM 0 HD2 LYS A 53 -7.789 4.229 10.131 1.00 44.33 H new ATOM 0 HD3 LYS A 53 -7.106 2.618 10.024 1.00 44.33 H new ATOM 0 HE2 LYS A 53 -5.303 4.217 10.391 1.00 15.13 H new ATOM 0 HE3 LYS A 53 -5.139 3.540 8.782 1.00 15.13 H new ATOM 0 HZ1 LYS A 53 -4.828 5.925 8.766 1.00 61.05 H new ATOM 0 HZ2 LYS A 53 -6.212 5.514 7.872 1.00 61.05 H new ATOM 0 HZ3 LYS A 53 -6.371 6.169 9.431 1.00 61.05 H new ATOM 927 N VAL A 54 -6.473 1.811 3.808 1.00 34.43 N ATOM 928 CA VAL A 54 -5.544 1.164 2.867 1.00 13.10 C ATOM 929 C VAL A 54 -4.269 2.022 2.744 1.00 34.05 C ATOM 930 O VAL A 54 -4.365 3.219 2.527 1.00 70.34 O ATOM 931 CB VAL A 54 -6.222 0.978 1.454 1.00 64.21 C ATOM 932 CG1 VAL A 54 -5.251 0.339 0.436 1.00 15.21 C ATOM 933 CG2 VAL A 54 -7.538 0.161 1.570 1.00 53.24 C ATOM 0 H VAL A 54 -6.835 2.703 3.471 1.00 34.43 H new ATOM 0 HA VAL A 54 -5.281 0.176 3.245 1.00 13.10 H new ATOM 0 HB VAL A 54 -6.476 1.969 1.079 1.00 64.21 H new ATOM 0 HG11 VAL A 54 -5.753 0.227 -0.525 1.00 15.21 H new ATOM 0 HG12 VAL A 54 -4.377 0.979 0.316 1.00 15.21 H new ATOM 0 HG13 VAL A 54 -4.937 -0.640 0.798 1.00 15.21 H new ATOM 0 HG21 VAL A 54 -7.984 0.048 0.582 1.00 53.24 H new ATOM 0 HG22 VAL A 54 -7.320 -0.823 1.985 1.00 53.24 H new ATOM 0 HG23 VAL A 54 -8.235 0.684 2.225 1.00 53.24 H new ATOM 943 N LEU A 55 -3.086 1.410 2.907 1.00 42.42 N ATOM 944 CA LEU A 55 -1.787 2.103 2.792 1.00 2.33 C ATOM 945 C LEU A 55 -1.066 1.597 1.538 1.00 74.42 C ATOM 946 O LEU A 55 -0.575 0.467 1.524 1.00 64.02 O ATOM 947 CB LEU A 55 -0.915 1.827 4.048 1.00 24.15 C ATOM 948 CG LEU A 55 0.497 2.501 4.065 1.00 2.24 C ATOM 949 CD1 LEU A 55 0.413 4.037 4.212 1.00 71.41 C ATOM 950 CD2 LEU A 55 1.410 1.870 5.140 1.00 12.35 C ATOM 0 H LEU A 55 -3.000 0.417 3.123 1.00 42.42 H new ATOM 0 HA LEU A 55 -1.954 3.177 2.717 1.00 2.33 H new ATOM 0 HB2 LEU A 55 -1.465 2.160 4.928 1.00 24.15 H new ATOM 0 HB3 LEU A 55 -0.782 0.749 4.144 1.00 24.15 H new ATOM 0 HG LEU A 55 0.953 2.308 3.094 1.00 2.24 H new ATOM 0 HD11 LEU A 55 1.419 4.457 4.219 1.00 71.41 H new ATOM 0 HD12 LEU A 55 -0.149 4.452 3.375 1.00 71.41 H new ATOM 0 HD13 LEU A 55 -0.090 4.286 5.146 1.00 71.41 H new ATOM 0 HD21 LEU A 55 2.383 2.361 5.125 1.00 12.35 H new ATOM 0 HD22 LEU A 55 0.955 1.995 6.123 1.00 12.35 H new ATOM 0 HD23 LEU A 55 1.537 0.808 4.932 1.00 12.35 H new ATOM 962 N ILE A 56 -0.997 2.427 0.488 1.00 45.30 N ATOM 963 CA ILE A 56 -0.341 2.050 -0.770 1.00 35.40 C ATOM 964 C ILE A 56 1.102 2.590 -0.777 1.00 34.33 C ATOM 965 O ILE A 56 1.302 3.809 -0.808 1.00 0.10 O ATOM 966 CB ILE A 56 -1.131 2.549 -2.047 1.00 51.14 C ATOM 967 CG1 ILE A 56 -2.577 1.951 -2.072 1.00 4.32 C ATOM 968 CG2 ILE A 56 -0.365 2.186 -3.350 1.00 60.45 C ATOM 969 CD1 ILE A 56 -3.444 2.395 -3.244 1.00 65.32 C ATOM 0 H ILE A 56 -1.390 3.368 0.486 1.00 45.30 H new ATOM 0 HA ILE A 56 -0.330 0.961 -0.824 1.00 35.40 H new ATOM 0 HB ILE A 56 -1.210 3.635 -1.992 1.00 51.14 H new ATOM 0 HG12 ILE A 56 -2.503 0.864 -2.088 1.00 4.32 H new ATOM 0 HG13 ILE A 56 -3.081 2.223 -1.145 1.00 4.32 H new ATOM 0 HG21 ILE A 56 -0.928 2.540 -4.214 1.00 60.45 H new ATOM 0 HG22 ILE A 56 0.617 2.659 -3.339 1.00 60.45 H new ATOM 0 HG23 ILE A 56 -0.246 1.104 -3.413 1.00 60.45 H new ATOM 0 HD11 ILE A 56 -4.425 1.926 -3.169 1.00 65.32 H new ATOM 0 HD12 ILE A 56 -3.558 3.479 -3.222 1.00 65.32 H new ATOM 0 HD13 ILE A 56 -2.970 2.098 -4.180 1.00 65.32 H new ATOM 981 N LEU A 57 2.102 1.679 -0.734 1.00 43.54 N ATOM 982 CA LEU A 57 3.524 2.049 -0.856 1.00 53.20 C ATOM 983 C LEU A 57 3.935 1.818 -2.301 1.00 61.25 C ATOM 984 O LEU A 57 4.004 0.671 -2.739 1.00 1.33 O ATOM 985 CB LEU A 57 4.463 1.214 0.077 1.00 22.21 C ATOM 986 CG LEU A 57 4.251 1.341 1.621 1.00 42.01 C ATOM 987 CD1 LEU A 57 4.189 2.814 2.067 1.00 62.53 C ATOM 988 CD2 LEU A 57 3.020 0.547 2.094 1.00 32.20 C ATOM 0 H LEU A 57 1.945 0.678 -0.615 1.00 43.54 H new ATOM 0 HA LEU A 57 3.629 3.091 -0.554 1.00 53.20 H new ATOM 0 HB2 LEU A 57 4.355 0.163 -0.191 1.00 22.21 H new ATOM 0 HB3 LEU A 57 5.493 1.495 -0.145 1.00 22.21 H new ATOM 0 HG LEU A 57 5.122 0.897 2.104 1.00 42.01 H new ATOM 0 HD11 LEU A 57 4.041 2.862 3.146 1.00 62.53 H new ATOM 0 HD12 LEU A 57 5.123 3.313 1.807 1.00 62.53 H new ATOM 0 HD13 LEU A 57 3.360 3.312 1.565 1.00 62.53 H new ATOM 0 HD21 LEU A 57 2.906 0.660 3.172 1.00 32.20 H new ATOM 0 HD22 LEU A 57 2.129 0.925 1.593 1.00 32.20 H new ATOM 0 HD23 LEU A 57 3.152 -0.508 1.852 1.00 32.20 H new ATOM 1000 N VAL A 58 4.206 2.896 -3.028 1.00 22.44 N ATOM 1001 CA VAL A 58 4.653 2.831 -4.422 1.00 0.20 C ATOM 1002 C VAL A 58 6.169 3.042 -4.488 1.00 1.12 C ATOM 1003 O VAL A 58 6.723 3.808 -3.702 1.00 54.43 O ATOM 1004 CB VAL A 58 3.915 3.892 -5.308 1.00 30.10 C ATOM 1005 CG1 VAL A 58 2.392 3.641 -5.321 1.00 71.33 C ATOM 1006 CG2 VAL A 58 4.235 5.327 -4.847 1.00 75.54 C ATOM 0 H VAL A 58 4.123 3.847 -2.668 1.00 22.44 H new ATOM 0 HA VAL A 58 4.408 1.845 -4.816 1.00 0.20 H new ATOM 0 HB VAL A 58 4.282 3.783 -6.328 1.00 30.10 H new ATOM 0 HG11 VAL A 58 1.905 4.392 -5.943 1.00 71.33 H new ATOM 0 HG12 VAL A 58 2.190 2.649 -5.724 1.00 71.33 H new ATOM 0 HG13 VAL A 58 2.004 3.705 -4.304 1.00 71.33 H new ATOM 0 HG21 VAL A 58 3.708 6.039 -5.482 1.00 75.54 H new ATOM 0 HG22 VAL A 58 3.915 5.457 -3.813 1.00 75.54 H new ATOM 0 HG23 VAL A 58 5.308 5.502 -4.920 1.00 75.54 H new ATOM 1016 N SER A 59 6.832 2.346 -5.409 1.00 34.54 N ATOM 1017 CA SER A 59 8.267 2.521 -5.655 1.00 12.13 C ATOM 1018 C SER A 59 8.515 3.676 -6.646 1.00 62.53 C ATOM 1019 O SER A 59 9.585 4.285 -6.635 1.00 22.30 O ATOM 1020 CB SER A 59 8.857 1.201 -6.184 1.00 64.24 C ATOM 1021 OG SER A 59 8.160 0.752 -7.335 1.00 13.33 O ATOM 0 H SER A 59 6.393 1.645 -6.006 1.00 34.54 H new ATOM 0 HA SER A 59 8.763 2.781 -4.720 1.00 12.13 H new ATOM 0 HB2 SER A 59 9.911 1.342 -6.426 1.00 64.24 H new ATOM 0 HB3 SER A 59 8.807 0.440 -5.406 1.00 64.24 H new ATOM 0 HG SER A 59 8.793 0.342 -7.961 1.00 13.33 H new ATOM 1027 N ASN A 60 7.499 3.985 -7.481 1.00 13.22 N ATOM 1028 CA ASN A 60 7.628 4.956 -8.587 1.00 12.31 C ATOM 1029 C ASN A 60 6.782 6.216 -8.322 1.00 0.14 C ATOM 1030 O ASN A 60 5.681 6.141 -7.751 1.00 11.35 O ATOM 1031 CB ASN A 60 7.188 4.314 -9.931 1.00 72.41 C ATOM 1032 CG ASN A 60 7.981 3.056 -10.294 1.00 31.24 C ATOM 1033 OD1 ASN A 60 9.049 3.132 -10.901 1.00 25.24 O ATOM 1034 ND2 ASN A 60 7.460 1.895 -9.930 1.00 40.11 N ATOM 0 H ASN A 60 6.570 3.570 -7.407 1.00 13.22 H new ATOM 0 HA ASN A 60 8.677 5.244 -8.650 1.00 12.31 H new ATOM 0 HB2 ASN A 60 6.129 4.063 -9.875 1.00 72.41 H new ATOM 0 HB3 ASN A 60 7.300 5.048 -10.729 1.00 72.41 H new ATOM 0 HD21 ASN A 60 7.946 1.026 -10.152 1.00 40.11 H new ATOM 0 HD22 ASN A 60 6.573 1.869 -9.428 1.00 40.11 H new ATOM 1041 N ASP A 61 7.317 7.361 -8.783 1.00 74.33 N ATOM 1042 CA ASP A 61 6.656 8.686 -8.740 1.00 1.10 C ATOM 1043 C ASP A 61 5.348 8.695 -9.560 1.00 12.15 C ATOM 1044 O ASP A 61 4.343 9.287 -9.146 1.00 75.35 O ATOM 1045 CB ASP A 61 7.653 9.744 -9.285 1.00 11.21 C ATOM 1046 CG ASP A 61 7.117 11.182 -9.248 1.00 60.32 C ATOM 1047 OD1 ASP A 61 7.188 11.818 -8.181 1.00 34.54 O ATOM 1048 OD2 ASP A 61 6.616 11.677 -10.280 1.00 31.24 O ATOM 0 H ASP A 61 8.244 7.396 -9.207 1.00 74.33 H new ATOM 0 HA ASP A 61 6.384 8.920 -7.711 1.00 1.10 H new ATOM 0 HB2 ASP A 61 8.573 9.695 -8.703 1.00 11.21 H new ATOM 0 HB3 ASP A 61 7.912 9.490 -10.313 1.00 11.21 H new ATOM 1053 N GLU A 62 5.392 8.013 -10.716 1.00 71.35 N ATOM 1054 CA GLU A 62 4.245 7.886 -11.633 1.00 23.00 C ATOM 1055 C GLU A 62 3.151 7.024 -10.985 1.00 40.30 C ATOM 1056 O GLU A 62 1.964 7.353 -11.054 1.00 62.25 O ATOM 1057 CB GLU A 62 4.700 7.265 -12.978 1.00 72.21 C ATOM 1058 CG GLU A 62 3.608 7.201 -14.069 1.00 71.31 C ATOM 1059 CD GLU A 62 4.098 6.523 -15.361 1.00 21.21 C ATOM 1060 OE1 GLU A 62 4.956 7.105 -16.063 1.00 14.35 O ATOM 1061 OE2 GLU A 62 3.644 5.400 -15.673 1.00 65.11 O ATOM 0 H GLU A 62 6.229 7.531 -11.044 1.00 71.35 H new ATOM 0 HA GLU A 62 3.838 8.877 -11.832 1.00 23.00 H new ATOM 0 HB2 GLU A 62 5.542 7.842 -13.361 1.00 72.21 H new ATOM 0 HB3 GLU A 62 5.065 6.255 -12.790 1.00 72.21 H new ATOM 0 HG2 GLU A 62 2.746 6.657 -13.683 1.00 71.31 H new ATOM 0 HG3 GLU A 62 3.271 8.212 -14.299 1.00 71.31 H new ATOM 1068 N GLU A 63 3.589 5.937 -10.325 1.00 24.41 N ATOM 1069 CA GLU A 63 2.700 5.010 -9.611 1.00 12.10 C ATOM 1070 C GLU A 63 2.024 5.661 -8.402 1.00 71.23 C ATOM 1071 O GLU A 63 0.954 5.208 -7.999 1.00 21.21 O ATOM 1072 CB GLU A 63 3.435 3.703 -9.217 1.00 54.11 C ATOM 1073 CG GLU A 63 3.737 2.784 -10.414 1.00 22.40 C ATOM 1074 CD GLU A 63 2.463 2.383 -11.192 1.00 50.14 C ATOM 1075 OE1 GLU A 63 1.731 1.478 -10.726 1.00 1.42 O ATOM 1076 OE2 GLU A 63 2.192 2.961 -12.277 1.00 24.41 O ATOM 0 H GLU A 63 4.574 5.678 -10.273 1.00 24.41 H new ATOM 0 HA GLU A 63 1.905 4.744 -10.307 1.00 12.10 H new ATOM 0 HB2 GLU A 63 4.371 3.958 -8.719 1.00 54.11 H new ATOM 0 HB3 GLU A 63 2.828 3.158 -8.494 1.00 54.11 H new ATOM 0 HG2 GLU A 63 4.427 3.289 -11.090 1.00 22.40 H new ATOM 0 HG3 GLU A 63 4.240 1.884 -10.059 1.00 22.40 H new ATOM 1083 N LEU A 64 2.665 6.679 -7.802 1.00 22.40 N ATOM 1084 CA LEU A 64 2.036 7.483 -6.740 1.00 13.22 C ATOM 1085 C LEU A 64 0.739 8.126 -7.257 1.00 44.44 C ATOM 1086 O LEU A 64 -0.338 7.875 -6.712 1.00 51.41 O ATOM 1087 CB LEU A 64 2.994 8.580 -6.197 1.00 11.20 C ATOM 1088 CG LEU A 64 2.484 9.334 -4.920 1.00 31.43 C ATOM 1089 CD1 LEU A 64 2.449 8.405 -3.688 1.00 71.34 C ATOM 1090 CD2 LEU A 64 3.311 10.607 -4.641 1.00 31.24 C ATOM 0 H LEU A 64 3.616 6.964 -8.034 1.00 22.40 H new ATOM 0 HA LEU A 64 1.803 6.809 -5.915 1.00 13.22 H new ATOM 0 HB2 LEU A 64 3.956 8.121 -5.969 1.00 11.20 H new ATOM 0 HB3 LEU A 64 3.169 9.311 -6.986 1.00 11.20 H new ATOM 0 HG LEU A 64 1.460 9.649 -5.121 1.00 31.43 H new ATOM 0 HD11 LEU A 64 2.091 8.962 -2.822 1.00 71.34 H new ATOM 0 HD12 LEU A 64 1.780 7.567 -3.883 1.00 71.34 H new ATOM 0 HD13 LEU A 64 3.452 8.029 -3.487 1.00 71.34 H new ATOM 0 HD21 LEU A 64 2.927 11.102 -3.749 1.00 31.24 H new ATOM 0 HD22 LEU A 64 4.355 10.336 -4.485 1.00 31.24 H new ATOM 0 HD23 LEU A 64 3.235 11.284 -5.492 1.00 31.24 H new ATOM 1102 N ASP A 65 0.861 8.891 -8.361 1.00 30.25 N ATOM 1103 CA ASP A 65 -0.281 9.573 -9.007 1.00 54.23 C ATOM 1104 C ASP A 65 -1.318 8.549 -9.516 1.00 22.14 C ATOM 1105 O ASP A 65 -2.525 8.766 -9.389 1.00 71.14 O ATOM 1106 CB ASP A 65 0.218 10.457 -10.183 1.00 75.02 C ATOM 1107 CG ASP A 65 -0.928 11.188 -10.919 1.00 34.54 C ATOM 1108 OD1 ASP A 65 -1.462 12.177 -10.368 1.00 43.13 O ATOM 1109 OD2 ASP A 65 -1.312 10.764 -12.036 1.00 3.15 O ATOM 0 H ASP A 65 1.752 9.054 -8.830 1.00 30.25 H new ATOM 0 HA ASP A 65 -0.763 10.208 -8.264 1.00 54.23 H new ATOM 0 HB2 ASP A 65 0.925 11.194 -9.802 1.00 75.02 H new ATOM 0 HB3 ASP A 65 0.760 9.833 -10.894 1.00 75.02 H new ATOM 1114 N LYS A 66 -0.808 7.419 -10.044 1.00 2.43 N ATOM 1115 CA LYS A 66 -1.618 6.329 -10.619 1.00 4.43 C ATOM 1116 C LYS A 66 -2.555 5.736 -9.548 1.00 42.31 C ATOM 1117 O LYS A 66 -3.779 5.697 -9.717 1.00 21.01 O ATOM 1118 CB LYS A 66 -0.658 5.231 -11.168 1.00 15.12 C ATOM 1119 CG LYS A 66 -1.297 4.146 -12.063 1.00 40.30 C ATOM 1120 CD LYS A 66 -1.754 4.709 -13.430 1.00 4.31 C ATOM 1121 CE LYS A 66 -2.140 3.605 -14.424 1.00 63.45 C ATOM 1122 NZ LYS A 66 -0.998 2.684 -14.700 1.00 2.34 N ATOM 0 H LYS A 66 0.195 7.236 -10.083 1.00 2.43 H new ATOM 0 HA LYS A 66 -2.235 6.717 -11.430 1.00 4.43 H new ATOM 0 HB2 LYS A 66 0.132 5.721 -11.737 1.00 15.12 H new ATOM 0 HB3 LYS A 66 -0.182 4.738 -10.320 1.00 15.12 H new ATOM 0 HG2 LYS A 66 -0.579 3.342 -12.225 1.00 40.30 H new ATOM 0 HG3 LYS A 66 -2.153 3.710 -11.547 1.00 40.30 H new ATOM 0 HD2 LYS A 66 -2.606 5.371 -13.279 1.00 4.31 H new ATOM 0 HD3 LYS A 66 -0.953 5.313 -13.856 1.00 4.31 H new ATOM 0 HE2 LYS A 66 -2.979 3.034 -14.026 1.00 63.45 H new ATOM 0 HE3 LYS A 66 -2.476 4.057 -15.357 1.00 63.45 H new ATOM 0 HZ1 LYS A 66 -1.312 1.923 -15.336 1.00 2.34 H new ATOM 0 HZ2 LYS A 66 -0.225 3.215 -15.150 1.00 2.34 H new ATOM 0 HZ3 LYS A 66 -0.661 2.272 -13.807 1.00 2.34 H new ATOM 1136 N ALA A 67 -1.945 5.348 -8.417 1.00 54.13 N ATOM 1137 CA ALA A 67 -2.636 4.693 -7.298 1.00 0.31 C ATOM 1138 C ALA A 67 -3.618 5.649 -6.601 1.00 62.42 C ATOM 1139 O ALA A 67 -4.703 5.222 -6.189 1.00 20.02 O ATOM 1140 CB ALA A 67 -1.611 4.149 -6.296 1.00 60.13 C ATOM 0 H ALA A 67 -0.947 5.482 -8.253 1.00 54.13 H new ATOM 0 HA ALA A 67 -3.218 3.864 -7.700 1.00 0.31 H new ATOM 0 HB1 ALA A 67 -2.132 3.665 -5.470 1.00 60.13 H new ATOM 0 HB2 ALA A 67 -0.966 3.424 -6.793 1.00 60.13 H new ATOM 0 HB3 ALA A 67 -1.006 4.970 -5.912 1.00 60.13 H new ATOM 1146 N LYS A 68 -3.230 6.946 -6.491 1.00 2.20 N ATOM 1147 CA LYS A 68 -4.086 7.990 -5.887 1.00 42.34 C ATOM 1148 C LYS A 68 -5.361 8.176 -6.703 1.00 0.15 C ATOM 1149 O LYS A 68 -6.456 8.172 -6.146 1.00 72.30 O ATOM 1150 CB LYS A 68 -3.364 9.360 -5.766 1.00 23.10 C ATOM 1151 CG LYS A 68 -2.204 9.387 -4.757 1.00 61.32 C ATOM 1152 CD LYS A 68 -1.635 10.800 -4.505 1.00 51.15 C ATOM 1153 CE LYS A 68 -1.074 11.465 -5.769 1.00 70.02 C ATOM 1154 NZ LYS A 68 -0.624 12.853 -5.495 1.00 33.22 N ATOM 0 H LYS A 68 -2.326 7.290 -6.815 1.00 2.20 H new ATOM 0 HA LYS A 68 -4.327 7.644 -4.882 1.00 42.34 H new ATOM 0 HB2 LYS A 68 -2.981 9.642 -6.747 1.00 23.10 H new ATOM 0 HB3 LYS A 68 -4.095 10.117 -5.480 1.00 23.10 H new ATOM 0 HG2 LYS A 68 -2.547 8.969 -3.811 1.00 61.32 H new ATOM 0 HG3 LYS A 68 -1.404 8.742 -5.119 1.00 61.32 H new ATOM 0 HD2 LYS A 68 -2.420 11.431 -4.089 1.00 51.15 H new ATOM 0 HD3 LYS A 68 -0.846 10.738 -3.755 1.00 51.15 H new ATOM 0 HE2 LYS A 68 -0.238 10.878 -6.151 1.00 70.02 H new ATOM 0 HE3 LYS A 68 -1.838 11.475 -6.547 1.00 70.02 H new ATOM 0 HZ1 LYS A 68 -0.250 13.276 -6.369 1.00 33.22 H new ATOM 0 HZ2 LYS A 68 -1.428 13.418 -5.154 1.00 33.22 H new ATOM 0 HZ3 LYS A 68 0.122 12.839 -4.770 1.00 33.22 H new ATOM 1168 N GLU A 69 -5.196 8.318 -8.028 1.00 74.44 N ATOM 1169 CA GLU A 69 -6.313 8.574 -8.946 1.00 31.25 C ATOM 1170 C GLU A 69 -7.337 7.431 -8.898 1.00 1.02 C ATOM 1171 O GLU A 69 -8.511 7.679 -8.613 1.00 65.43 O ATOM 1172 CB GLU A 69 -5.801 8.821 -10.394 1.00 63.04 C ATOM 1173 CG GLU A 69 -5.234 10.237 -10.624 1.00 42.34 C ATOM 1174 CD GLU A 69 -6.297 11.348 -10.471 1.00 11.32 C ATOM 1175 OE1 GLU A 69 -6.999 11.653 -11.464 1.00 54.01 O ATOM 1176 OE2 GLU A 69 -6.443 11.916 -9.359 1.00 3.21 O ATOM 0 H GLU A 69 -4.288 8.259 -8.489 1.00 74.44 H new ATOM 0 HA GLU A 69 -6.818 9.482 -8.618 1.00 31.25 H new ATOM 0 HB2 GLU A 69 -5.027 8.089 -10.625 1.00 63.04 H new ATOM 0 HB3 GLU A 69 -6.620 8.651 -11.092 1.00 63.04 H new ATOM 0 HG2 GLU A 69 -4.425 10.417 -9.917 1.00 42.34 H new ATOM 0 HG3 GLU A 69 -4.802 10.291 -11.623 1.00 42.34 H new ATOM 1183 N LEU A 70 -6.849 6.186 -9.077 1.00 60.12 N ATOM 1184 CA LEU A 70 -7.693 4.966 -9.084 1.00 74.51 C ATOM 1185 C LEU A 70 -8.481 4.829 -7.763 1.00 42.40 C ATOM 1186 O LEU A 70 -9.686 4.522 -7.769 1.00 14.42 O ATOM 1187 CB LEU A 70 -6.805 3.707 -9.315 1.00 64.13 C ATOM 1188 CG LEU A 70 -6.026 3.653 -10.668 1.00 5.43 C ATOM 1189 CD1 LEU A 70 -5.032 2.467 -10.696 1.00 74.14 C ATOM 1190 CD2 LEU A 70 -6.998 3.615 -11.875 1.00 63.44 C ATOM 0 H LEU A 70 -5.858 5.995 -9.221 1.00 60.12 H new ATOM 0 HA LEU A 70 -8.412 5.051 -9.899 1.00 74.51 H new ATOM 0 HB2 LEU A 70 -6.083 3.643 -8.501 1.00 64.13 H new ATOM 0 HB3 LEU A 70 -7.439 2.823 -9.249 1.00 64.13 H new ATOM 0 HG LEU A 70 -5.441 4.569 -10.752 1.00 5.43 H new ATOM 0 HD11 LEU A 70 -4.505 2.456 -11.650 1.00 74.14 H new ATOM 0 HD12 LEU A 70 -4.312 2.577 -9.885 1.00 74.14 H new ATOM 0 HD13 LEU A 70 -5.578 1.532 -10.572 1.00 74.14 H new ATOM 0 HD21 LEU A 70 -6.426 3.578 -12.802 1.00 63.44 H new ATOM 0 HD22 LEU A 70 -7.632 2.731 -11.804 1.00 63.44 H new ATOM 0 HD23 LEU A 70 -7.621 4.509 -11.869 1.00 63.44 H new ATOM 1202 N ALA A 71 -7.777 5.084 -6.645 1.00 2.40 N ATOM 1203 CA ALA A 71 -8.351 5.047 -5.288 1.00 61.12 C ATOM 1204 C ALA A 71 -9.468 6.091 -5.103 1.00 64.31 C ATOM 1205 O ALA A 71 -10.486 5.799 -4.474 1.00 53.00 O ATOM 1206 CB ALA A 71 -7.242 5.269 -4.254 1.00 63.14 C ATOM 0 H ALA A 71 -6.786 5.323 -6.659 1.00 2.40 H new ATOM 0 HA ALA A 71 -8.800 4.065 -5.142 1.00 61.12 H new ATOM 0 HB1 ALA A 71 -7.669 5.241 -3.251 1.00 63.14 H new ATOM 0 HB2 ALA A 71 -6.492 4.484 -4.351 1.00 63.14 H new ATOM 0 HB3 ALA A 71 -6.776 6.240 -4.423 1.00 63.14 H new ATOM 1212 N GLN A 72 -9.260 7.302 -5.664 1.00 32.23 N ATOM 1213 CA GLN A 72 -10.221 8.424 -5.562 1.00 2.14 C ATOM 1214 C GLN A 72 -11.457 8.187 -6.446 1.00 53.44 C ATOM 1215 O GLN A 72 -12.555 8.616 -6.081 1.00 33.13 O ATOM 1216 CB GLN A 72 -9.553 9.767 -5.936 1.00 71.41 C ATOM 1217 CG GLN A 72 -8.473 10.240 -4.950 1.00 64.41 C ATOM 1218 CD GLN A 72 -7.818 11.545 -5.393 1.00 21.55 C ATOM 1219 OE1 GLN A 72 -8.247 12.632 -5.003 1.00 71.44 O ATOM 1220 NE2 GLN A 72 -6.813 11.447 -6.252 1.00 1.41 N ATOM 0 H GLN A 72 -8.423 7.530 -6.200 1.00 32.23 H new ATOM 0 HA GLN A 72 -10.546 8.474 -4.523 1.00 2.14 H new ATOM 0 HB2 GLN A 72 -9.107 9.673 -6.926 1.00 71.41 H new ATOM 0 HB3 GLN A 72 -10.324 10.534 -6.006 1.00 71.41 H new ATOM 0 HG2 GLN A 72 -8.918 10.375 -3.964 1.00 64.41 H new ATOM 0 HG3 GLN A 72 -7.710 9.468 -4.852 1.00 64.41 H new ATOM 0 HE21 GLN A 72 -6.486 10.528 -6.551 1.00 1.41 H new ATOM 0 HE22 GLN A 72 -6.367 12.290 -6.613 1.00 1.41 H new ATOM 1229 N LYS A 73 -11.285 7.493 -7.598 1.00 12.42 N ATOM 1230 CA LYS A 73 -12.424 7.141 -8.485 1.00 45.43 C ATOM 1231 C LYS A 73 -13.394 6.202 -7.746 1.00 24.21 C ATOM 1232 O LYS A 73 -14.611 6.268 -7.935 1.00 11.54 O ATOM 1233 CB LYS A 73 -11.958 6.476 -9.822 1.00 43.41 C ATOM 1234 CG LYS A 73 -10.833 7.216 -10.580 1.00 41.43 C ATOM 1235 CD LYS A 73 -11.071 8.743 -10.750 1.00 3.10 C ATOM 1236 CE LYS A 73 -9.820 9.482 -11.268 1.00 34.33 C ATOM 1237 NZ LYS A 73 -9.995 10.959 -11.255 1.00 32.03 N ATOM 0 H LYS A 73 -10.378 7.168 -7.933 1.00 12.42 H new ATOM 0 HA LYS A 73 -12.930 8.071 -8.744 1.00 45.43 H new ATOM 0 HB2 LYS A 73 -11.619 5.463 -9.604 1.00 43.41 H new ATOM 0 HB3 LYS A 73 -12.820 6.389 -10.483 1.00 43.41 H new ATOM 0 HG2 LYS A 73 -9.893 7.064 -10.050 1.00 41.43 H new ATOM 0 HG3 LYS A 73 -10.719 6.766 -11.566 1.00 41.43 H new ATOM 0 HD2 LYS A 73 -11.897 8.904 -11.443 1.00 3.10 H new ATOM 0 HD3 LYS A 73 -11.371 9.170 -9.793 1.00 3.10 H new ATOM 0 HE2 LYS A 73 -8.961 9.214 -10.653 1.00 34.33 H new ATOM 0 HE3 LYS A 73 -9.600 9.153 -12.284 1.00 34.33 H new ATOM 0 HZ1 LYS A 73 -9.065 11.419 -11.329 1.00 32.03 H new ATOM 0 HZ2 LYS A 73 -10.588 11.245 -12.060 1.00 32.03 H new ATOM 0 HZ3 LYS A 73 -10.454 11.246 -10.367 1.00 32.03 H new ATOM 1251 N MET A 74 -12.818 5.319 -6.907 1.00 62.31 N ATOM 1252 CA MET A 74 -13.583 4.409 -6.029 1.00 64.13 C ATOM 1253 C MET A 74 -13.806 5.030 -4.632 1.00 14.41 C ATOM 1254 O MET A 74 -14.476 4.427 -3.785 1.00 34.23 O ATOM 1255 CB MET A 74 -12.854 3.047 -5.918 1.00 73.03 C ATOM 1256 CG MET A 74 -12.546 2.391 -7.271 1.00 4.54 C ATOM 1257 SD MET A 74 -12.131 0.648 -7.114 1.00 15.42 S ATOM 1258 CE MET A 74 -11.617 0.232 -8.777 1.00 5.21 C ATOM 0 H MET A 74 -11.807 5.216 -6.818 1.00 62.31 H new ATOM 0 HA MET A 74 -14.565 4.248 -6.473 1.00 64.13 H new ATOM 0 HB2 MET A 74 -11.920 3.190 -5.374 1.00 73.03 H new ATOM 0 HB3 MET A 74 -13.466 2.366 -5.327 1.00 73.03 H new ATOM 0 HG2 MET A 74 -13.409 2.498 -7.928 1.00 4.54 H new ATOM 0 HG3 MET A 74 -11.718 2.917 -7.746 1.00 4.54 H new ATOM 0 HE1 MET A 74 -10.900 -0.588 -8.742 1.00 5.21 H new ATOM 0 HE2 MET A 74 -12.486 -0.070 -9.362 1.00 5.21 H new ATOM 0 HE3 MET A 74 -11.151 1.101 -9.242 1.00 5.21 H new ATOM 1268 N GLU A 75 -13.226 6.239 -4.427 1.00 44.21 N ATOM 1269 CA GLU A 75 -13.360 7.085 -3.207 1.00 75.24 C ATOM 1270 C GLU A 75 -12.841 6.420 -1.912 1.00 53.32 C ATOM 1271 O GLU A 75 -13.084 6.945 -0.822 1.00 60.23 O ATOM 1272 CB GLU A 75 -14.829 7.555 -3.036 1.00 53.03 C ATOM 1273 CG GLU A 75 -15.391 8.355 -4.230 1.00 15.01 C ATOM 1274 CD GLU A 75 -16.857 8.769 -4.032 1.00 24.33 C ATOM 1275 OE1 GLU A 75 -17.747 7.899 -4.168 1.00 33.15 O ATOM 1276 OE2 GLU A 75 -17.127 9.950 -3.732 1.00 14.30 O ATOM 0 H GLU A 75 -12.629 6.671 -5.132 1.00 44.21 H new ATOM 0 HA GLU A 75 -12.713 7.948 -3.368 1.00 75.24 H new ATOM 0 HB2 GLU A 75 -15.459 6.681 -2.872 1.00 53.03 H new ATOM 0 HB3 GLU A 75 -14.898 8.170 -2.139 1.00 53.03 H new ATOM 0 HG2 GLU A 75 -14.784 9.247 -4.382 1.00 15.01 H new ATOM 0 HG3 GLU A 75 -15.307 7.754 -5.136 1.00 15.01 H new ATOM 1283 N ILE A 76 -12.076 5.325 -2.041 1.00 14.04 N ATOM 1284 CA ILE A 76 -11.616 4.509 -0.894 1.00 54.33 C ATOM 1285 C ILE A 76 -10.606 5.293 -0.028 1.00 3.34 C ATOM 1286 O ILE A 76 -9.784 6.049 -0.559 1.00 23.14 O ATOM 1287 CB ILE A 76 -10.982 3.149 -1.382 1.00 34.12 C ATOM 1288 CG1 ILE A 76 -12.018 2.368 -2.244 1.00 53.01 C ATOM 1289 CG2 ILE A 76 -10.482 2.270 -0.194 1.00 15.21 C ATOM 1290 CD1 ILE A 76 -11.480 1.116 -2.886 1.00 61.03 C ATOM 0 H ILE A 76 -11.755 4.975 -2.944 1.00 14.04 H new ATOM 0 HA ILE A 76 -12.488 4.279 -0.282 1.00 54.33 H new ATOM 0 HB ILE A 76 -10.108 3.387 -1.988 1.00 34.12 H new ATOM 0 HG12 ILE A 76 -12.868 2.102 -1.615 1.00 53.01 H new ATOM 0 HG13 ILE A 76 -12.394 3.029 -3.025 1.00 53.01 H new ATOM 0 HG21 ILE A 76 -10.054 1.345 -0.581 1.00 15.21 H new ATOM 0 HG22 ILE A 76 -9.722 2.814 0.367 1.00 15.21 H new ATOM 0 HG23 ILE A 76 -11.320 2.035 0.463 1.00 15.21 H new ATOM 0 HD11 ILE A 76 -12.269 0.637 -3.466 1.00 61.03 H new ATOM 0 HD12 ILE A 76 -10.650 1.372 -3.544 1.00 61.03 H new ATOM 0 HD13 ILE A 76 -11.132 0.431 -2.113 1.00 61.03 H new ATOM 1302 N ASP A 77 -10.698 5.105 1.302 1.00 40.12 N ATOM 1303 CA ASP A 77 -9.820 5.762 2.286 1.00 42.00 C ATOM 1304 C ASP A 77 -8.401 5.183 2.192 1.00 50.23 C ATOM 1305 O ASP A 77 -8.097 4.137 2.781 1.00 13.31 O ATOM 1306 CB ASP A 77 -10.401 5.601 3.712 1.00 51.42 C ATOM 1307 CG ASP A 77 -11.772 6.279 3.860 1.00 21.12 C ATOM 1308 OD1 ASP A 77 -11.818 7.525 3.978 1.00 43.42 O ATOM 1309 OD2 ASP A 77 -12.808 5.581 3.834 1.00 33.34 O ATOM 0 H ASP A 77 -11.390 4.487 1.726 1.00 40.12 H new ATOM 0 HA ASP A 77 -9.766 6.828 2.065 1.00 42.00 H new ATOM 0 HB2 ASP A 77 -10.495 4.541 3.947 1.00 51.42 H new ATOM 0 HB3 ASP A 77 -9.707 6.028 4.436 1.00 51.42 H new ATOM 1314 N VAL A 78 -7.555 5.857 1.393 1.00 4.34 N ATOM 1315 CA VAL A 78 -6.194 5.406 1.064 1.00 2.42 C ATOM 1316 C VAL A 78 -5.153 6.473 1.463 1.00 35.02 C ATOM 1317 O VAL A 78 -5.376 7.672 1.270 1.00 24.41 O ATOM 1318 CB VAL A 78 -6.072 5.087 -0.480 1.00 72.22 C ATOM 1319 CG1 VAL A 78 -4.613 4.788 -0.889 1.00 41.02 C ATOM 1320 CG2 VAL A 78 -7.004 3.916 -0.880 1.00 54.11 C ATOM 0 H VAL A 78 -7.803 6.743 0.952 1.00 4.34 H new ATOM 0 HA VAL A 78 -5.996 4.495 1.629 1.00 2.42 H new ATOM 0 HB VAL A 78 -6.389 5.979 -1.021 1.00 72.22 H new ATOM 0 HG11 VAL A 78 -4.571 4.574 -1.957 1.00 41.02 H new ATOM 0 HG12 VAL A 78 -3.988 5.654 -0.668 1.00 41.02 H new ATOM 0 HG13 VAL A 78 -4.248 3.925 -0.331 1.00 41.02 H new ATOM 0 HG21 VAL A 78 -6.901 3.717 -1.947 1.00 54.11 H new ATOM 0 HG22 VAL A 78 -6.730 3.024 -0.316 1.00 54.11 H new ATOM 0 HG23 VAL A 78 -8.038 4.182 -0.659 1.00 54.11 H new ATOM 1330 N ARG A 79 -4.027 6.012 2.028 1.00 32.52 N ATOM 1331 CA ARG A 79 -2.839 6.825 2.298 1.00 22.11 C ATOM 1332 C ARG A 79 -1.723 6.323 1.369 1.00 33.42 C ATOM 1333 O ARG A 79 -1.273 5.184 1.501 1.00 74.21 O ATOM 1334 CB ARG A 79 -2.425 6.705 3.808 1.00 33.45 C ATOM 1335 CG ARG A 79 -2.095 8.049 4.496 1.00 44.22 C ATOM 1336 CD ARG A 79 -3.304 9.003 4.470 1.00 53.52 C ATOM 1337 NE ARG A 79 -3.096 10.238 5.242 1.00 33.21 N ATOM 1338 CZ ARG A 79 -4.036 11.187 5.418 1.00 11.00 C ATOM 1339 NH1 ARG A 79 -5.247 11.058 4.876 1.00 65.33 N ATOM 1340 NH2 ARG A 79 -3.775 12.247 6.164 1.00 71.13 N ATOM 0 H ARG A 79 -3.918 5.039 2.316 1.00 32.52 H new ATOM 0 HA ARG A 79 -3.036 7.880 2.108 1.00 22.11 H new ATOM 0 HB2 ARG A 79 -3.234 6.221 4.355 1.00 33.45 H new ATOM 0 HB3 ARG A 79 -1.556 6.052 3.881 1.00 33.45 H new ATOM 0 HG2 ARG A 79 -1.794 7.868 5.528 1.00 44.22 H new ATOM 0 HG3 ARG A 79 -1.248 8.518 3.995 1.00 44.22 H new ATOM 0 HD2 ARG A 79 -3.528 9.264 3.436 1.00 53.52 H new ATOM 0 HD3 ARG A 79 -4.177 8.481 4.863 1.00 53.52 H new ATOM 0 HE ARG A 79 -2.182 10.385 5.671 1.00 33.21 H new ATOM 0 HH11 ARG A 79 -5.472 10.233 4.320 1.00 65.33 H new ATOM 0 HH12 ARG A 79 -5.949 11.784 5.017 1.00 65.33 H new ATOM 0 HH21 ARG A 79 -2.861 12.347 6.607 1.00 71.13 H new ATOM 0 HH22 ARG A 79 -4.487 12.965 6.297 1.00 71.13 H new ATOM 1354 N THR A 80 -1.306 7.162 0.423 1.00 23.22 N ATOM 1355 CA THR A 80 -0.294 6.823 -0.583 1.00 41.21 C ATOM 1356 C THR A 80 1.047 7.445 -0.186 1.00 13.12 C ATOM 1357 O THR A 80 1.136 8.660 0.052 1.00 2.43 O ATOM 1358 CB THR A 80 -0.717 7.339 -1.995 1.00 32.24 C ATOM 1359 OG1 THR A 80 -1.341 8.628 -1.859 1.00 11.31 O ATOM 1360 CG2 THR A 80 -1.664 6.375 -2.727 1.00 62.12 C ATOM 0 H THR A 80 -1.666 8.112 0.330 1.00 23.22 H new ATOM 0 HA THR A 80 -0.199 5.738 -0.629 1.00 41.21 H new ATOM 0 HB THR A 80 0.186 7.410 -2.601 1.00 32.24 H new ATOM 0 HG1 THR A 80 -0.694 9.330 -2.081 1.00 11.31 H new ATOM 0 HG21 THR A 80 -1.922 6.789 -3.702 1.00 62.12 H new ATOM 0 HG22 THR A 80 -1.171 5.412 -2.860 1.00 62.12 H new ATOM 0 HG23 THR A 80 -2.571 6.240 -2.139 1.00 62.12 H new ATOM 1368 N ARG A 81 2.078 6.598 -0.101 1.00 0.05 N ATOM 1369 CA ARG A 81 3.445 6.991 0.252 1.00 61.44 C ATOM 1370 C ARG A 81 4.417 6.393 -0.771 1.00 41.24 C ATOM 1371 O ARG A 81 4.371 5.192 -1.036 1.00 41.44 O ATOM 1372 CB ARG A 81 3.797 6.492 1.682 1.00 25.11 C ATOM 1373 CG ARG A 81 2.913 7.062 2.809 1.00 32.12 C ATOM 1374 CD ARG A 81 3.047 8.589 2.947 1.00 33.24 C ATOM 1375 NE ARG A 81 2.166 9.134 3.997 1.00 14.23 N ATOM 1376 CZ ARG A 81 1.274 10.123 3.825 1.00 70.31 C ATOM 1377 NH1 ARG A 81 1.125 10.700 2.635 1.00 74.04 N ATOM 1378 NH2 ARG A 81 0.549 10.542 4.851 1.00 51.14 N ATOM 0 H ARG A 81 1.983 5.598 -0.280 1.00 0.05 H new ATOM 0 HA ARG A 81 3.525 8.078 0.239 1.00 61.44 H new ATOM 0 HB2 ARG A 81 3.724 5.405 1.699 1.00 25.11 H new ATOM 0 HB3 ARG A 81 4.836 6.745 1.893 1.00 25.11 H new ATOM 0 HG2 ARG A 81 1.871 6.808 2.613 1.00 32.12 H new ATOM 0 HG3 ARG A 81 3.184 6.590 3.753 1.00 32.12 H new ATOM 0 HD2 ARG A 81 4.082 8.842 3.177 1.00 33.24 H new ATOM 0 HD3 ARG A 81 2.808 9.060 1.994 1.00 33.24 H new ATOM 0 HE ARG A 81 2.240 8.727 4.929 1.00 14.23 H new ATOM 0 HH11 ARG A 81 1.691 10.392 1.844 1.00 74.04 H new ATOM 0 HH12 ARG A 81 0.445 11.450 2.514 1.00 74.04 H new ATOM 0 HH21 ARG A 81 0.669 10.114 5.769 1.00 51.14 H new ATOM 0 HH22 ARG A 81 -0.129 11.293 4.723 1.00 51.14 H new ATOM 1392 N LYS A 82 5.271 7.243 -1.352 1.00 74.13 N ATOM 1393 CA LYS A 82 6.337 6.822 -2.266 1.00 32.33 C ATOM 1394 C LYS A 82 7.576 6.416 -1.453 1.00 51.41 C ATOM 1395 O LYS A 82 7.904 7.058 -0.446 1.00 73.12 O ATOM 1396 CB LYS A 82 6.663 7.964 -3.273 1.00 32.13 C ATOM 1397 CG LYS A 82 7.788 7.640 -4.291 1.00 10.23 C ATOM 1398 CD LYS A 82 8.002 8.767 -5.331 1.00 12.11 C ATOM 1399 CE LYS A 82 8.346 10.131 -4.704 1.00 1.12 C ATOM 1400 NZ LYS A 82 9.621 10.102 -3.943 1.00 32.35 N ATOM 0 H LYS A 82 5.241 8.251 -1.199 1.00 74.13 H new ATOM 0 HA LYS A 82 6.008 5.958 -2.844 1.00 32.33 H new ATOM 0 HB2 LYS A 82 5.756 8.212 -3.824 1.00 32.13 H new ATOM 0 HB3 LYS A 82 6.948 8.853 -2.711 1.00 32.13 H new ATOM 0 HG2 LYS A 82 8.720 7.468 -3.752 1.00 10.23 H new ATOM 0 HG3 LYS A 82 7.545 6.714 -4.811 1.00 10.23 H new ATOM 0 HD2 LYS A 82 8.804 8.476 -6.009 1.00 12.11 H new ATOM 0 HD3 LYS A 82 7.099 8.871 -5.932 1.00 12.11 H new ATOM 0 HE2 LYS A 82 8.413 10.882 -5.491 1.00 1.12 H new ATOM 0 HE3 LYS A 82 7.537 10.436 -4.040 1.00 1.12 H new ATOM 0 HZ1 LYS A 82 9.807 11.043 -3.541 1.00 32.35 H new ATOM 0 HZ2 LYS A 82 9.551 9.405 -3.174 1.00 32.35 H new ATOM 0 HZ3 LYS A 82 10.399 9.837 -4.580 1.00 32.35 H new ATOM 1414 N VAL A 83 8.244 5.344 -1.884 1.00 63.02 N ATOM 1415 CA VAL A 83 9.424 4.789 -1.218 1.00 31.00 C ATOM 1416 C VAL A 83 10.543 4.596 -2.259 1.00 73.40 C ATOM 1417 O VAL A 83 10.299 4.161 -3.396 1.00 40.51 O ATOM 1418 CB VAL A 83 9.095 3.429 -0.472 1.00 21.13 C ATOM 1419 CG1 VAL A 83 8.009 3.648 0.614 1.00 0.24 C ATOM 1420 CG2 VAL A 83 8.673 2.300 -1.452 1.00 65.45 C ATOM 0 H VAL A 83 7.975 4.828 -2.721 1.00 63.02 H new ATOM 0 HA VAL A 83 9.757 5.490 -0.452 1.00 31.00 H new ATOM 0 HB VAL A 83 10.015 3.101 0.011 1.00 21.13 H new ATOM 0 HG11 VAL A 83 7.798 2.702 1.114 1.00 0.24 H new ATOM 0 HG12 VAL A 83 8.367 4.373 1.345 1.00 0.24 H new ATOM 0 HG13 VAL A 83 7.098 4.023 0.147 1.00 0.24 H new ATOM 0 HG21 VAL A 83 8.459 1.391 -0.890 1.00 65.45 H new ATOM 0 HG22 VAL A 83 7.781 2.607 -1.998 1.00 65.45 H new ATOM 0 HG23 VAL A 83 9.482 2.109 -2.157 1.00 65.45 H new ATOM 1430 N THR A 84 11.757 4.994 -1.876 1.00 61.34 N ATOM 1431 CA THR A 84 12.969 4.810 -2.682 1.00 31.32 C ATOM 1432 C THR A 84 13.882 3.788 -1.992 1.00 32.24 C ATOM 1433 O THR A 84 14.656 3.076 -2.646 1.00 51.25 O ATOM 1434 CB THR A 84 13.707 6.174 -2.865 1.00 51.54 C ATOM 1435 OG1 THR A 84 14.002 6.744 -1.578 1.00 62.20 O ATOM 1436 CG2 THR A 84 12.875 7.191 -3.682 1.00 15.05 C ATOM 0 H THR A 84 11.930 5.460 -0.985 1.00 61.34 H new ATOM 0 HA THR A 84 12.698 4.437 -3.670 1.00 31.32 H new ATOM 0 HB THR A 84 14.624 5.969 -3.417 1.00 51.54 H new ATOM 0 HG1 THR A 84 14.466 7.599 -1.697 1.00 62.20 H new ATOM 0 HG21 THR A 84 13.433 8.122 -3.780 1.00 15.05 H new ATOM 0 HG22 THR A 84 12.672 6.783 -4.672 1.00 15.05 H new ATOM 0 HG23 THR A 84 11.933 7.385 -3.170 1.00 15.05 H new ATOM 1444 N SER A 85 13.764 3.728 -0.654 1.00 72.23 N ATOM 1445 CA SER A 85 14.510 2.797 0.199 1.00 15.42 C ATOM 1446 C SER A 85 13.515 1.895 0.979 1.00 12.11 C ATOM 1447 O SER A 85 12.423 2.362 1.331 1.00 10.55 O ATOM 1448 CB SER A 85 15.389 3.607 1.181 1.00 53.15 C ATOM 1449 OG SER A 85 16.283 4.453 0.481 1.00 51.24 O ATOM 0 H SER A 85 13.136 4.337 -0.130 1.00 72.23 H new ATOM 0 HA SER A 85 15.150 2.161 -0.413 1.00 15.42 H new ATOM 0 HB2 SER A 85 14.754 4.204 1.835 1.00 53.15 H new ATOM 0 HB3 SER A 85 15.952 2.925 1.819 1.00 53.15 H new ATOM 0 HG SER A 85 16.827 4.956 1.122 1.00 51.24 H new ATOM 1455 N PRO A 86 13.863 0.587 1.246 1.00 15.01 N ATOM 1456 CA PRO A 86 13.077 -0.297 2.149 1.00 73.51 C ATOM 1457 C PRO A 86 12.860 0.303 3.554 1.00 50.32 C ATOM 1458 O PRO A 86 11.829 0.054 4.167 1.00 51.53 O ATOM 1459 CB PRO A 86 13.924 -1.593 2.218 1.00 1.44 C ATOM 1460 CG PRO A 86 14.686 -1.602 0.930 1.00 14.25 C ATOM 1461 CD PRO A 86 15.004 -0.153 0.632 1.00 73.51 C ATOM 0 HA PRO A 86 12.067 -0.456 1.772 1.00 73.51 H new ATOM 0 HB2 PRO A 86 14.594 -1.585 3.077 1.00 1.44 H new ATOM 0 HB3 PRO A 86 13.293 -2.477 2.314 1.00 1.44 H new ATOM 0 HG2 PRO A 86 15.598 -2.193 1.019 1.00 14.25 H new ATOM 0 HG3 PRO A 86 14.095 -2.046 0.129 1.00 14.25 H new ATOM 0 HD2 PRO A 86 15.957 0.146 1.067 1.00 73.51 H new ATOM 0 HD3 PRO A 86 15.071 0.031 -0.440 1.00 73.51 H new ATOM 1469 N ASP A 87 13.838 1.109 4.026 1.00 32.31 N ATOM 1470 CA ASP A 87 13.750 1.855 5.311 1.00 50.43 C ATOM 1471 C ASP A 87 12.505 2.758 5.356 1.00 54.42 C ATOM 1472 O ASP A 87 11.838 2.865 6.392 1.00 43.02 O ATOM 1473 CB ASP A 87 15.022 2.715 5.520 1.00 4.52 C ATOM 1474 CG ASP A 87 15.019 3.512 6.842 1.00 51.32 C ATOM 1475 OD1 ASP A 87 15.302 2.912 7.906 1.00 34.20 O ATOM 1476 OD2 ASP A 87 14.732 4.736 6.822 1.00 24.12 O ATOM 0 H ASP A 87 14.715 1.264 3.528 1.00 32.31 H new ATOM 0 HA ASP A 87 13.669 1.121 6.112 1.00 50.43 H new ATOM 0 HB2 ASP A 87 15.897 2.065 5.499 1.00 4.52 H new ATOM 0 HB3 ASP A 87 15.121 3.410 4.687 1.00 4.52 H new ATOM 1481 N GLU A 88 12.203 3.388 4.208 1.00 14.24 N ATOM 1482 CA GLU A 88 11.025 4.251 4.058 1.00 43.34 C ATOM 1483 C GLU A 88 9.733 3.430 4.098 1.00 1.04 C ATOM 1484 O GLU A 88 8.784 3.819 4.769 1.00 35.40 O ATOM 1485 CB GLU A 88 11.110 5.082 2.753 1.00 52.30 C ATOM 1486 CG GLU A 88 12.335 6.016 2.690 1.00 14.14 C ATOM 1487 CD GLU A 88 12.486 6.931 3.929 1.00 54.11 C ATOM 1488 OE1 GLU A 88 11.496 7.586 4.330 1.00 33.40 O ATOM 1489 OE2 GLU A 88 13.589 6.981 4.515 1.00 62.53 O ATOM 0 H GLU A 88 12.768 3.312 3.362 1.00 14.24 H new ATOM 0 HA GLU A 88 11.009 4.944 4.899 1.00 43.34 H new ATOM 0 HB2 GLU A 88 11.139 4.402 1.901 1.00 52.30 H new ATOM 0 HB3 GLU A 88 10.204 5.679 2.654 1.00 52.30 H new ATOM 0 HG2 GLU A 88 13.236 5.412 2.584 1.00 14.14 H new ATOM 0 HG3 GLU A 88 12.261 6.637 1.798 1.00 14.14 H new ATOM 1496 N ALA A 89 9.732 2.267 3.419 1.00 74.50 N ATOM 1497 CA ALA A 89 8.566 1.356 3.392 1.00 4.30 C ATOM 1498 C ALA A 89 8.199 0.905 4.815 1.00 31.30 C ATOM 1499 O ALA A 89 7.038 0.968 5.217 1.00 74.21 O ATOM 1500 CB ALA A 89 8.856 0.149 2.493 1.00 63.42 C ATOM 0 H ALA A 89 10.530 1.933 2.878 1.00 74.50 H new ATOM 0 HA ALA A 89 7.713 1.894 2.979 1.00 4.30 H new ATOM 0 HB1 ALA A 89 7.990 -0.513 2.482 1.00 63.42 H new ATOM 0 HB2 ALA A 89 9.063 0.492 1.479 1.00 63.42 H new ATOM 0 HB3 ALA A 89 9.721 -0.391 2.877 1.00 63.42 H new ATOM 1506 N LYS A 90 9.236 0.509 5.567 1.00 21.23 N ATOM 1507 CA LYS A 90 9.130 0.078 6.967 1.00 4.31 C ATOM 1508 C LYS A 90 8.633 1.226 7.877 1.00 52.23 C ATOM 1509 O LYS A 90 7.828 0.997 8.799 1.00 43.50 O ATOM 1510 CB LYS A 90 10.522 -0.424 7.434 1.00 51.12 C ATOM 1511 CG LYS A 90 11.056 -1.659 6.662 1.00 51.31 C ATOM 1512 CD LYS A 90 12.527 -2.045 7.004 1.00 20.44 C ATOM 1513 CE LYS A 90 12.749 -2.494 8.466 1.00 25.13 C ATOM 1514 NZ LYS A 90 12.726 -1.360 9.436 1.00 14.03 N ATOM 0 H LYS A 90 10.191 0.479 5.211 1.00 21.23 H new ATOM 0 HA LYS A 90 8.398 -0.726 7.039 1.00 4.31 H new ATOM 0 HB2 LYS A 90 11.240 0.390 7.332 1.00 51.12 H new ATOM 0 HB3 LYS A 90 10.468 -0.670 8.494 1.00 51.12 H new ATOM 0 HG2 LYS A 90 10.411 -2.512 6.874 1.00 51.31 H new ATOM 0 HG3 LYS A 90 10.984 -1.463 5.592 1.00 51.31 H new ATOM 0 HD2 LYS A 90 12.842 -2.849 6.339 1.00 20.44 H new ATOM 0 HD3 LYS A 90 13.171 -1.190 6.798 1.00 20.44 H new ATOM 0 HE2 LYS A 90 11.978 -3.214 8.740 1.00 25.13 H new ATOM 0 HE3 LYS A 90 13.707 -3.009 8.540 1.00 25.13 H new ATOM 0 HZ1 LYS A 90 13.537 -1.440 10.082 1.00 14.03 H new ATOM 0 HZ2 LYS A 90 12.783 -0.460 8.919 1.00 14.03 H new ATOM 0 HZ3 LYS A 90 11.842 -1.390 9.984 1.00 14.03 H new ATOM 1528 N ARG A 91 9.130 2.454 7.601 1.00 62.14 N ATOM 1529 CA ARG A 91 8.726 3.677 8.323 1.00 33.41 C ATOM 1530 C ARG A 91 7.220 3.928 8.189 1.00 75.31 C ATOM 1531 O ARG A 91 6.532 4.018 9.195 1.00 11.34 O ATOM 1532 CB ARG A 91 9.530 4.916 7.810 1.00 72.31 C ATOM 1533 CG ARG A 91 8.905 6.305 8.142 1.00 51.54 C ATOM 1534 CD ARG A 91 9.810 7.492 7.755 1.00 63.41 C ATOM 1535 NE ARG A 91 10.968 7.617 8.670 1.00 14.14 N ATOM 1536 CZ ARG A 91 12.219 7.203 8.423 1.00 74.03 C ATOM 1537 NH1 ARG A 91 12.536 6.614 7.275 1.00 13.44 N ATOM 1538 NH2 ARG A 91 13.145 7.384 9.350 1.00 63.33 N ATOM 0 H ARG A 91 9.822 2.622 6.871 1.00 62.14 H new ATOM 0 HA ARG A 91 8.953 3.528 9.379 1.00 33.41 H new ATOM 0 HB2 ARG A 91 10.533 4.878 8.234 1.00 72.31 H new ATOM 0 HB3 ARG A 91 9.638 4.835 6.728 1.00 72.31 H new ATOM 0 HG2 ARG A 91 7.952 6.400 7.622 1.00 51.54 H new ATOM 0 HG3 ARG A 91 8.692 6.353 9.210 1.00 51.54 H new ATOM 0 HD2 ARG A 91 10.166 7.361 6.733 1.00 63.41 H new ATOM 0 HD3 ARG A 91 9.229 8.414 7.774 1.00 63.41 H new ATOM 0 HE ARG A 91 10.798 8.060 9.573 1.00 14.14 H new ATOM 0 HH11 ARG A 91 11.821 6.469 6.562 1.00 13.44 H new ATOM 0 HH12 ARG A 91 13.494 6.306 7.107 1.00 13.44 H new ATOM 0 HH21 ARG A 91 12.901 7.832 10.234 1.00 63.33 H new ATOM 0 HH22 ARG A 91 14.103 7.076 9.181 1.00 63.33 H new ATOM 1552 N TRP A 92 6.713 4.013 6.945 1.00 43.44 N ATOM 1553 CA TRP A 92 5.295 4.330 6.678 1.00 14.12 C ATOM 1554 C TRP A 92 4.316 3.273 7.208 1.00 44.33 C ATOM 1555 O TRP A 92 3.167 3.601 7.526 1.00 24.54 O ATOM 1556 CB TRP A 92 5.083 4.561 5.168 1.00 4.03 C ATOM 1557 CG TRP A 92 5.900 5.713 4.614 1.00 13.23 C ATOM 1558 CD1 TRP A 92 6.819 5.673 3.600 1.00 64.01 C ATOM 1559 CD2 TRP A 92 5.859 7.077 5.052 1.00 35.43 C ATOM 1560 NE1 TRP A 92 7.361 6.914 3.404 1.00 20.54 N ATOM 1561 CE2 TRP A 92 6.784 7.794 4.276 1.00 23.43 C ATOM 1562 CE3 TRP A 92 5.127 7.759 6.024 1.00 15.21 C ATOM 1563 CZ2 TRP A 92 6.997 9.157 4.443 1.00 74.44 C ATOM 1564 CZ3 TRP A 92 5.337 9.110 6.192 1.00 33.12 C ATOM 1565 CH2 TRP A 92 6.265 9.798 5.404 1.00 72.35 C ATOM 0 H TRP A 92 7.268 3.865 6.102 1.00 43.44 H new ATOM 0 HA TRP A 92 5.071 5.244 7.228 1.00 14.12 H new ATOM 0 HB2 TRP A 92 5.342 3.650 4.629 1.00 4.03 H new ATOM 0 HB3 TRP A 92 4.026 4.752 4.982 1.00 4.03 H new ATOM 0 HD1 TRP A 92 7.079 4.789 3.036 1.00 64.01 H new ATOM 0 HE1 TRP A 92 8.080 7.145 2.718 1.00 20.54 H new ATOM 0 HE3 TRP A 92 4.407 7.236 6.635 1.00 15.21 H new ATOM 0 HZ2 TRP A 92 7.714 9.690 3.836 1.00 74.44 H new ATOM 0 HZ3 TRP A 92 4.776 9.646 6.944 1.00 33.12 H new ATOM 0 HH2 TRP A 92 6.407 10.858 5.558 1.00 72.35 H new ATOM 1576 N ILE A 93 4.784 2.024 7.307 1.00 43.51 N ATOM 1577 CA ILE A 93 4.030 0.924 7.929 1.00 3.02 C ATOM 1578 C ILE A 93 3.892 1.181 9.443 1.00 42.24 C ATOM 1579 O ILE A 93 2.807 0.998 10.019 1.00 50.32 O ATOM 1580 CB ILE A 93 4.754 -0.446 7.626 1.00 52.32 C ATOM 1581 CG1 ILE A 93 4.572 -0.808 6.117 1.00 33.44 C ATOM 1582 CG2 ILE A 93 4.281 -1.601 8.546 1.00 74.42 C ATOM 1583 CD1 ILE A 93 5.346 -2.019 5.661 1.00 61.10 C ATOM 0 H ILE A 93 5.700 1.744 6.957 1.00 43.51 H new ATOM 0 HA ILE A 93 3.025 0.871 7.510 1.00 3.02 H new ATOM 0 HB ILE A 93 5.814 -0.315 7.843 1.00 52.32 H new ATOM 0 HG12 ILE A 93 3.513 -0.977 5.923 1.00 33.44 H new ATOM 0 HG13 ILE A 93 4.874 0.048 5.513 1.00 33.44 H new ATOM 0 HG21 ILE A 93 4.816 -2.515 8.287 1.00 74.42 H new ATOM 0 HG22 ILE A 93 4.483 -1.344 9.586 1.00 74.42 H new ATOM 0 HG23 ILE A 93 3.211 -1.757 8.413 1.00 74.42 H new ATOM 0 HD11 ILE A 93 5.158 -2.193 4.602 1.00 61.10 H new ATOM 0 HD12 ILE A 93 6.411 -1.850 5.818 1.00 61.10 H new ATOM 0 HD13 ILE A 93 5.029 -2.890 6.234 1.00 61.10 H new ATOM 1595 N LYS A 94 5.000 1.627 10.065 1.00 70.50 N ATOM 1596 CA LYS A 94 5.024 2.027 11.478 1.00 73.44 C ATOM 1597 C LYS A 94 4.102 3.242 11.735 1.00 61.33 C ATOM 1598 O LYS A 94 3.332 3.222 12.688 1.00 2.20 O ATOM 1599 CB LYS A 94 6.483 2.325 11.926 1.00 24.12 C ATOM 1600 CG LYS A 94 6.646 2.587 13.437 1.00 74.20 C ATOM 1601 CD LYS A 94 8.112 2.843 13.860 1.00 42.35 C ATOM 1602 CE LYS A 94 8.695 4.144 13.289 1.00 72.43 C ATOM 1603 NZ LYS A 94 7.971 5.354 13.766 1.00 64.01 N ATOM 0 H LYS A 94 5.902 1.719 9.598 1.00 70.50 H new ATOM 0 HA LYS A 94 4.641 1.199 12.075 1.00 73.44 H new ATOM 0 HB2 LYS A 94 7.115 1.482 11.646 1.00 24.12 H new ATOM 0 HB3 LYS A 94 6.848 3.194 11.378 1.00 24.12 H new ATOM 0 HG2 LYS A 94 6.039 3.448 13.717 1.00 74.20 H new ATOM 0 HG3 LYS A 94 6.260 1.731 13.991 1.00 74.20 H new ATOM 0 HD2 LYS A 94 8.168 2.876 14.948 1.00 42.35 H new ATOM 0 HD3 LYS A 94 8.728 2.004 13.535 1.00 42.35 H new ATOM 0 HE2 LYS A 94 9.746 4.220 13.569 1.00 72.43 H new ATOM 0 HE3 LYS A 94 8.657 4.108 12.200 1.00 72.43 H new ATOM 0 HZ1 LYS A 94 7.476 5.800 12.967 1.00 64.01 H new ATOM 0 HZ2 LYS A 94 7.279 5.081 14.493 1.00 64.01 H new ATOM 0 HZ3 LYS A 94 8.651 6.028 14.172 1.00 64.01 H new ATOM 1617 N GLU A 95 4.148 4.264 10.847 1.00 61.21 N ATOM 1618 CA GLU A 95 3.343 5.508 10.999 1.00 31.20 C ATOM 1619 C GLU A 95 1.831 5.200 10.933 1.00 25.01 C ATOM 1620 O GLU A 95 1.031 5.749 11.702 1.00 12.31 O ATOM 1621 CB GLU A 95 3.693 6.556 9.896 1.00 53.10 C ATOM 1622 CG GLU A 95 5.194 6.860 9.703 1.00 63.33 C ATOM 1623 CD GLU A 95 5.936 7.218 11.002 1.00 71.44 C ATOM 1624 OE1 GLU A 95 5.788 8.358 11.489 1.00 2.12 O ATOM 1625 OE2 GLU A 95 6.681 6.376 11.532 1.00 3.31 O ATOM 0 H GLU A 95 4.736 4.254 10.013 1.00 61.21 H new ATOM 0 HA GLU A 95 3.589 5.925 11.976 1.00 31.20 H new ATOM 0 HB2 GLU A 95 3.289 6.204 8.947 1.00 53.10 H new ATOM 0 HB3 GLU A 95 3.181 7.489 10.134 1.00 53.10 H new ATOM 0 HG2 GLU A 95 5.674 5.992 9.251 1.00 63.33 H new ATOM 0 HG3 GLU A 95 5.299 7.685 8.999 1.00 63.33 H new ATOM 1632 N PHE A 96 1.485 4.312 9.989 1.00 73.44 N ATOM 1633 CA PHE A 96 0.098 3.867 9.713 1.00 55.32 C ATOM 1634 C PHE A 96 -0.467 3.032 10.881 1.00 23.33 C ATOM 1635 O PHE A 96 -1.690 2.975 11.089 1.00 33.42 O ATOM 1636 CB PHE A 96 0.117 3.055 8.396 1.00 45.32 C ATOM 1637 CG PHE A 96 -1.233 2.548 7.880 1.00 11.11 C ATOM 1638 CD1 PHE A 96 -2.135 3.416 7.263 1.00 21.11 C ATOM 1639 CD2 PHE A 96 -1.572 1.193 7.969 1.00 60.24 C ATOM 1640 CE1 PHE A 96 -3.339 2.947 6.768 1.00 55.03 C ATOM 1641 CE2 PHE A 96 -2.776 0.729 7.480 1.00 11.22 C ATOM 1642 CZ PHE A 96 -3.652 1.601 6.872 1.00 73.54 C ATOM 0 H PHE A 96 2.172 3.869 9.379 1.00 73.44 H new ATOM 0 HA PHE A 96 -0.558 4.731 9.609 1.00 55.32 H new ATOM 0 HB2 PHE A 96 0.566 3.675 7.620 1.00 45.32 H new ATOM 0 HB3 PHE A 96 0.772 2.195 8.536 1.00 45.32 H new ATOM 0 HD1 PHE A 96 -1.891 4.464 7.171 1.00 21.11 H new ATOM 0 HD2 PHE A 96 -0.881 0.501 8.427 1.00 60.24 H new ATOM 0 HE1 PHE A 96 -4.034 3.629 6.301 1.00 55.03 H new ATOM 0 HE2 PHE A 96 -3.031 -0.316 7.574 1.00 11.22 H new ATOM 0 HZ PHE A 96 -4.587 1.234 6.475 1.00 73.54 H new ATOM 1652 N SER A 97 0.437 2.390 11.629 1.00 35.22 N ATOM 1653 CA SER A 97 0.086 1.590 12.804 1.00 3.24 C ATOM 1654 C SER A 97 -0.034 2.493 14.054 1.00 62.31 C ATOM 1655 O SER A 97 -0.937 2.307 14.883 1.00 45.14 O ATOM 1656 CB SER A 97 1.152 0.493 13.000 1.00 72.34 C ATOM 1657 OG SER A 97 0.820 -0.380 14.063 1.00 65.21 O ATOM 0 H SER A 97 1.438 2.412 11.434 1.00 35.22 H new ATOM 0 HA SER A 97 -0.883 1.114 12.653 1.00 3.24 H new ATOM 0 HB2 SER A 97 1.257 -0.080 12.079 1.00 72.34 H new ATOM 0 HB3 SER A 97 2.118 0.957 13.199 1.00 72.34 H new ATOM 0 HG SER A 97 1.517 -1.062 14.156 1.00 65.21 H new