USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 854 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 85 LYS NZ :NH3+ 169:sc= 1.17 (180deg=0) USER MOD Set 1.2: A 91 TYR OH : rot 180:sc= 1.15 USER MOD Single : A 21 MET CE :methyl 147:sc= -0.296 (180deg=-1.36) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 130:sc= -0.722 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= -0.0133 (180deg=-0.183) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 146:sc= -0.441 (180deg=-0.456) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.16) USER MOD Single : A 46 ASN : amide:sc= -0.398 K(o=-0.4,f=-1.5) USER MOD Single : A 51 THR OG1 : rot 40:sc= 0.333 USER MOD Single : A 59 LYS NZ :NH3+ -158:sc= 0.291 (180deg=0.00562) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 165:sc= -0.0484 (180deg=-0.341) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= -2.16! (180deg=-2.53!) USER MOD Single : A 71 LYS NZ :NH3+ 150:sc= -1.52 (180deg=-2.96!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -163:sc= 1.31 (180deg=1.11) USER MOD Single : A 94 LYS NZ :NH3+ 142:sc= -0.706 (180deg=-0.799) USER MOD Single : A 96 GLN : amide:sc= 0.423 K(o=0.42,f=-2.1!) USER MOD Single : A 97 LYS NZ :NH3+ 142:sc= -0.61 (180deg=-1.9!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.0689 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -153:sc= 1.19 (180deg=1.08) USER MOD Single : A 119 LYS NZ :NH3+ 174:sc= 0.281 (180deg=0.182) USER MOD Single : A 122 SER OG : rot 78:sc= -0.502 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -7.361 -13.817 3.740 1.00 0.86 N ATOM 2 CA MET A 21 -7.144 -12.352 3.772 1.00 0.65 C ATOM 3 C MET A 21 -6.132 -11.945 2.712 1.00 0.55 C ATOM 4 O MET A 21 -4.943 -12.246 2.831 1.00 0.75 O ATOM 5 CB MET A 21 -6.635 -11.931 5.151 1.00 0.73 C ATOM 6 CG MET A 21 -6.361 -10.442 5.280 1.00 1.04 C ATOM 7 SD MET A 21 -5.760 -9.993 6.920 1.00 1.93 S ATOM 8 CE MET A 21 -4.313 -11.043 7.056 1.00 2.17 C ATOM 0 HA MET A 21 -8.093 -11.855 3.568 1.00 0.65 H new ATOM 0 HB2 MET A 21 -7.369 -12.221 5.902 1.00 0.73 H new ATOM 0 HB3 MET A 21 -5.719 -12.479 5.372 1.00 0.73 H new ATOM 0 HG2 MET A 21 -5.626 -10.145 4.533 1.00 1.04 H new ATOM 0 HG3 MET A 21 -7.275 -9.887 5.066 1.00 1.04 H new ATOM 0 HE1 MET A 21 -3.548 -10.535 7.643 1.00 2.17 H new ATOM 0 HE2 MET A 21 -4.586 -11.977 7.547 1.00 2.17 H new ATOM 0 HE3 MET A 21 -3.923 -11.256 6.061 1.00 2.17 H new ATOM 17 N THR A 22 -6.598 -11.267 1.675 1.00 0.43 N ATOM 18 CA THR A 22 -5.715 -10.818 0.616 1.00 0.41 C ATOM 19 C THR A 22 -5.042 -9.506 1.010 1.00 0.35 C ATOM 20 O THR A 22 -5.716 -8.522 1.317 1.00 0.38 O ATOM 21 CB THR A 22 -6.492 -10.628 -0.694 1.00 0.52 C ATOM 22 OG1 THR A 22 -7.471 -11.665 -0.819 1.00 0.82 O ATOM 23 CG2 THR A 22 -5.551 -10.672 -1.892 1.00 0.63 C ATOM 0 H THR A 22 -7.579 -11.018 1.546 1.00 0.43 H new ATOM 0 HA THR A 22 -4.952 -11.581 0.463 1.00 0.41 H new ATOM 0 HB THR A 22 -6.981 -9.654 -0.672 1.00 0.52 H new ATOM 0 HG1 THR A 22 -7.970 -11.545 -1.654 1.00 0.82 H new ATOM 0 HG21 THR A 22 -6.123 -10.535 -2.809 1.00 0.63 H new ATOM 0 HG22 THR A 22 -4.812 -9.876 -1.803 1.00 0.63 H new ATOM 0 HG23 THR A 22 -5.044 -11.636 -1.921 1.00 0.63 H new ATOM 31 N LEU A 23 -3.718 -9.508 1.038 1.00 0.32 N ATOM 32 CA LEU A 23 -2.968 -8.320 1.405 1.00 0.29 C ATOM 33 C LEU A 23 -2.431 -7.608 0.168 1.00 0.26 C ATOM 34 O LEU A 23 -1.725 -8.200 -0.653 1.00 0.30 O ATOM 35 CB LEU A 23 -1.820 -8.689 2.350 1.00 0.30 C ATOM 36 CG LEU A 23 -2.246 -9.327 3.676 1.00 0.36 C ATOM 37 CD1 LEU A 23 -1.028 -9.691 4.509 1.00 0.39 C ATOM 38 CD2 LEU A 23 -3.158 -8.388 4.453 1.00 0.39 C ATOM 0 H LEU A 23 -3.143 -10.319 0.811 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.643 -7.637 1.921 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -1.152 -9.377 1.832 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -1.245 -7.789 2.567 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.798 -10.240 3.454 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -1.351 -10.143 5.447 1.00 0.39 H new ATOM 0 HD12 LEU A 23 -0.409 -10.400 3.959 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.449 -8.792 4.720 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.450 -8.859 5.392 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.629 -7.458 4.662 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -4.049 -8.174 3.862 1.00 0.39 H new ATOM 50 N PHE A 24 -2.778 -6.337 0.037 1.00 0.25 N ATOM 51 CA PHE A 24 -2.340 -5.533 -1.096 1.00 0.25 C ATOM 52 C PHE A 24 -1.409 -4.434 -0.622 1.00 0.26 C ATOM 53 O PHE A 24 -1.386 -4.097 0.564 1.00 0.30 O ATOM 54 CB PHE A 24 -3.530 -4.884 -1.812 1.00 0.28 C ATOM 55 CG PHE A 24 -4.578 -5.845 -2.290 1.00 0.34 C ATOM 56 CD1 PHE A 24 -5.499 -6.379 -1.407 1.00 1.24 C ATOM 57 CD2 PHE A 24 -4.653 -6.199 -3.626 1.00 1.25 C ATOM 58 CE1 PHE A 24 -6.471 -7.250 -1.845 1.00 1.25 C ATOM 59 CE2 PHE A 24 -5.623 -7.073 -4.068 1.00 1.30 C ATOM 60 CZ PHE A 24 -6.532 -7.599 -3.178 1.00 0.51 C ATOM 0 H PHE A 24 -3.365 -5.837 0.705 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.825 -6.197 -1.790 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -3.996 -4.167 -1.136 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -3.158 -4.320 -2.667 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -5.455 -6.110 -0.362 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -3.945 -5.786 -4.329 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -7.185 -7.660 -1.146 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -5.670 -7.345 -5.112 1.00 1.30 H new ATOM 0 HZ PHE A 24 -7.292 -8.284 -3.523 1.00 0.51 H new ATOM 70 N VAL A 25 -0.651 -3.872 -1.542 1.00 0.29 N ATOM 71 CA VAL A 25 0.162 -2.714 -1.236 1.00 0.31 C ATOM 72 C VAL A 25 0.323 -1.822 -2.456 1.00 0.30 C ATOM 73 O VAL A 25 0.598 -2.289 -3.564 1.00 0.35 O ATOM 74 CB VAL A 25 1.549 -3.090 -0.656 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.222 -4.181 -1.470 1.00 1.08 C ATOM 76 CG2 VAL A 25 2.438 -1.855 -0.571 1.00 0.98 C ATOM 0 H VAL A 25 -0.582 -4.198 -2.506 1.00 0.29 H new ATOM 0 HA VAL A 25 -0.370 -2.162 -0.461 1.00 0.31 H new ATOM 0 HB VAL A 25 1.394 -3.483 0.349 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.192 -4.416 -1.031 1.00 1.08 H new ATOM 0 HG12 VAL A 25 1.597 -5.074 -1.469 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.361 -3.837 -2.495 1.00 1.08 H new ATOM 0 HG21 VAL A 25 3.409 -2.133 -0.162 1.00 0.98 H new ATOM 0 HG22 VAL A 25 2.571 -1.433 -1.567 1.00 0.98 H new ATOM 0 HG23 VAL A 25 1.970 -1.114 0.077 1.00 0.98 H new ATOM 86 N LEU A 26 0.108 -0.540 -2.239 1.00 0.34 N ATOM 87 CA LEU A 26 0.317 0.464 -3.259 1.00 0.35 C ATOM 88 C LEU A 26 1.506 1.323 -2.872 1.00 0.34 C ATOM 89 O LEU A 26 1.897 1.350 -1.705 1.00 0.36 O ATOM 90 CB LEU A 26 -0.915 1.352 -3.427 1.00 0.40 C ATOM 91 CG LEU A 26 -2.177 0.686 -3.992 1.00 0.44 C ATOM 92 CD1 LEU A 26 -1.830 -0.246 -5.137 1.00 1.18 C ATOM 93 CD2 LEU A 26 -2.943 -0.054 -2.907 1.00 1.09 C ATOM 0 H LEU A 26 -0.217 -0.166 -1.348 1.00 0.34 H new ATOM 0 HA LEU A 26 0.503 -0.041 -4.207 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -1.162 1.778 -2.454 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.648 2.183 -4.080 1.00 0.40 H new ATOM 0 HG LEU A 26 -2.823 1.474 -4.378 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -2.741 -0.706 -5.521 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -1.346 0.320 -5.933 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -1.153 -1.023 -4.781 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -3.831 -0.515 -3.339 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -2.307 -0.827 -2.475 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -3.241 0.648 -2.128 1.00 1.09 H new ATOM 105 N ILE A 27 2.083 2.023 -3.832 1.00 0.34 N ATOM 106 CA ILE A 27 3.248 2.839 -3.550 1.00 0.32 C ATOM 107 C ILE A 27 3.336 4.044 -4.488 1.00 0.30 C ATOM 108 O ILE A 27 3.248 3.903 -5.708 1.00 0.36 O ATOM 109 CB ILE A 27 4.543 1.986 -3.639 1.00 0.33 C ATOM 110 CG1 ILE A 27 5.774 2.791 -3.214 1.00 0.33 C ATOM 111 CG2 ILE A 27 4.736 1.441 -5.046 1.00 0.35 C ATOM 112 CD1 ILE A 27 7.038 1.956 -3.138 1.00 0.55 C ATOM 0 H ILE A 27 1.768 2.043 -4.802 1.00 0.34 H new ATOM 0 HA ILE A 27 3.145 3.220 -2.534 1.00 0.32 H new ATOM 0 HB ILE A 27 4.430 1.149 -2.950 1.00 0.33 H new ATOM 0 HG12 ILE A 27 5.928 3.607 -3.920 1.00 0.33 H new ATOM 0 HG13 ILE A 27 5.586 3.243 -2.240 1.00 0.33 H new ATOM 0 HG21 ILE A 27 5.649 0.847 -5.084 1.00 0.35 H new ATOM 0 HG22 ILE A 27 3.885 0.815 -5.314 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.813 2.270 -5.750 1.00 0.35 H new ATOM 0 HD11 ILE A 27 7.873 2.586 -2.832 1.00 0.55 H new ATOM 0 HD12 ILE A 27 6.902 1.155 -2.411 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.249 1.525 -4.117 1.00 0.55 H new ATOM 124 N LEU A 28 3.461 5.236 -3.910 1.00 0.30 N ATOM 125 CA LEU A 28 3.857 6.404 -4.681 1.00 0.36 C ATOM 126 C LEU A 28 5.178 6.896 -4.131 1.00 0.38 C ATOM 127 O LEU A 28 5.238 7.862 -3.365 1.00 0.41 O ATOM 128 CB LEU A 28 2.829 7.534 -4.559 1.00 0.46 C ATOM 129 CG LEU A 28 1.402 7.202 -4.978 1.00 0.62 C ATOM 130 CD1 LEU A 28 0.541 8.452 -4.930 1.00 1.24 C ATOM 131 CD2 LEU A 28 1.383 6.589 -6.364 1.00 1.18 C ATOM 0 H LEU A 28 3.295 5.415 -2.920 1.00 0.30 H new ATOM 0 HA LEU A 28 3.933 6.124 -5.732 1.00 0.36 H new ATOM 0 HB2 LEU A 28 2.811 7.869 -3.522 1.00 0.46 H new ATOM 0 HB3 LEU A 28 3.174 8.376 -5.160 1.00 0.46 H new ATOM 0 HG LEU A 28 0.992 6.472 -4.280 1.00 0.62 H new ATOM 0 HD11 LEU A 28 -0.477 8.204 -5.231 1.00 1.24 H new ATOM 0 HD12 LEU A 28 0.533 8.849 -3.915 1.00 1.24 H new ATOM 0 HD13 LEU A 28 0.948 9.201 -5.609 1.00 1.24 H new ATOM 0 HD21 LEU A 28 0.356 6.359 -6.646 1.00 1.18 H new ATOM 0 HD22 LEU A 28 1.806 7.294 -7.079 1.00 1.18 H new ATOM 0 HD23 LEU A 28 1.974 5.673 -6.365 1.00 1.18 H new ATOM 143 N SER A 29 6.231 6.217 -4.518 1.00 0.44 N ATOM 144 CA SER A 29 7.565 6.554 -4.077 1.00 0.56 C ATOM 145 C SER A 29 8.576 6.181 -5.142 1.00 0.68 C ATOM 146 O SER A 29 9.083 5.059 -5.135 1.00 1.05 O ATOM 147 CB SER A 29 7.865 5.820 -2.776 1.00 0.61 C ATOM 148 OG SER A 29 6.958 6.210 -1.761 1.00 1.27 O ATOM 0 H SER A 29 6.188 5.415 -5.147 1.00 0.44 H new ATOM 0 HA SER A 29 7.631 7.628 -3.905 1.00 0.56 H new ATOM 0 HB2 SER A 29 7.799 4.744 -2.936 1.00 0.61 H new ATOM 0 HB3 SER A 29 8.886 6.033 -2.460 1.00 0.61 H new ATOM 0 HG SER A 29 6.577 5.412 -1.339 1.00 1.27 H new ATOM 154 N ASN A 30 8.884 7.073 -6.063 1.00 0.60 N ATOM 155 CA ASN A 30 9.806 6.682 -7.108 1.00 0.67 C ATOM 156 C ASN A 30 11.238 6.986 -6.703 1.00 0.64 C ATOM 157 O ASN A 30 11.771 8.069 -6.960 1.00 0.68 O ATOM 158 CB ASN A 30 9.453 7.382 -8.423 1.00 0.79 C ATOM 159 CG ASN A 30 8.192 6.820 -9.058 1.00 1.85 C ATOM 160 OD1 ASN A 30 8.249 5.885 -9.855 1.00 2.75 O ATOM 161 ND2 ASN A 30 7.044 7.385 -8.709 1.00 2.45 N ATOM 0 H ASN A 30 8.529 8.028 -6.111 1.00 0.60 H new ATOM 0 HA ASN A 30 9.719 5.606 -7.258 1.00 0.67 H new ATOM 0 HB2 ASN A 30 9.320 8.448 -8.240 1.00 0.79 H new ATOM 0 HB3 ASN A 30 10.284 7.280 -9.120 1.00 0.79 H new ATOM 0 HD21 ASN A 30 6.167 7.046 -9.105 1.00 2.45 H new ATOM 0 HD22 ASN A 30 7.038 8.159 -8.044 1.00 2.45 H new ATOM 168 N ASP A 31 11.828 6.019 -6.017 1.00 0.63 N ATOM 169 CA ASP A 31 13.266 5.912 -5.851 1.00 0.67 C ATOM 170 C ASP A 31 13.713 4.575 -6.426 1.00 0.72 C ATOM 171 O ASP A 31 13.054 3.566 -6.170 1.00 0.81 O ATOM 172 CB ASP A 31 13.673 6.055 -4.378 1.00 0.72 C ATOM 173 CG ASP A 31 15.146 5.780 -4.142 1.00 0.92 C ATOM 174 OD1 ASP A 31 15.944 6.744 -4.161 1.00 1.45 O ATOM 175 OD2 ASP A 31 15.519 4.607 -3.934 1.00 1.57 O ATOM 0 H ASP A 31 11.309 5.274 -5.552 1.00 0.63 H new ATOM 0 HA ASP A 31 13.759 6.724 -6.385 1.00 0.67 H new ATOM 0 HB2 ASP A 31 13.438 7.064 -4.038 1.00 0.72 H new ATOM 0 HB3 ASP A 31 13.079 5.369 -3.774 1.00 0.72 H new ATOM 180 N LYS A 32 14.789 4.540 -7.192 1.00 0.78 N ATOM 181 CA LYS A 32 15.181 3.305 -7.873 1.00 0.82 C ATOM 182 C LYS A 32 15.369 2.144 -6.894 1.00 0.79 C ATOM 183 O LYS A 32 14.705 1.111 -7.018 1.00 0.81 O ATOM 184 CB LYS A 32 16.461 3.509 -8.687 1.00 0.99 C ATOM 185 CG LYS A 32 16.324 4.536 -9.800 1.00 1.10 C ATOM 186 CD LYS A 32 15.202 4.176 -10.762 1.00 1.61 C ATOM 187 CE LYS A 32 15.111 5.167 -11.911 1.00 2.22 C ATOM 188 NZ LYS A 32 14.865 6.553 -11.436 1.00 2.93 N ATOM 0 H LYS A 32 15.403 5.337 -7.361 1.00 0.78 H new ATOM 0 HA LYS A 32 14.366 3.048 -8.549 1.00 0.82 H new ATOM 0 HB2 LYS A 32 17.262 3.819 -8.016 1.00 0.99 H new ATOM 0 HB3 LYS A 32 16.760 2.555 -9.121 1.00 0.99 H new ATOM 0 HG2 LYS A 32 16.132 5.518 -9.368 1.00 1.10 H new ATOM 0 HG3 LYS A 32 17.264 4.607 -10.347 1.00 1.10 H new ATOM 0 HD2 LYS A 32 15.368 3.174 -11.157 1.00 1.61 H new ATOM 0 HD3 LYS A 32 14.254 4.153 -10.224 1.00 1.61 H new ATOM 0 HE2 LYS A 32 16.037 5.140 -12.486 1.00 2.22 H new ATOM 0 HE3 LYS A 32 14.308 4.867 -12.585 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 14.642 7.164 -12.248 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 14.065 6.555 -10.771 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 15.715 6.912 -10.956 1.00 2.93 H new ATOM 202 N LYS A 33 16.244 2.325 -5.909 1.00 0.84 N ATOM 203 CA LYS A 33 16.578 1.241 -4.988 1.00 0.86 C ATOM 204 C LYS A 33 15.434 0.959 -4.019 1.00 0.74 C ATOM 205 O LYS A 33 15.215 -0.190 -3.636 1.00 0.70 O ATOM 206 CB LYS A 33 17.867 1.544 -4.215 1.00 1.02 C ATOM 207 CG LYS A 33 19.140 1.209 -4.984 1.00 1.56 C ATOM 208 CD LYS A 33 19.393 2.168 -6.137 1.00 2.24 C ATOM 209 CE LYS A 33 19.929 3.504 -5.649 1.00 2.94 C ATOM 210 NZ LYS A 33 20.142 4.458 -6.768 1.00 3.44 N ATOM 0 H LYS A 33 16.731 3.203 -5.728 1.00 0.84 H new ATOM 0 HA LYS A 33 16.741 0.348 -5.591 1.00 0.86 H new ATOM 0 HB2 LYS A 33 17.881 2.601 -3.951 1.00 1.02 H new ATOM 0 HB3 LYS A 33 17.860 0.982 -3.281 1.00 1.02 H new ATOM 0 HG2 LYS A 33 19.990 1.234 -4.302 1.00 1.56 H new ATOM 0 HG3 LYS A 33 19.071 0.192 -5.370 1.00 1.56 H new ATOM 0 HD2 LYS A 33 20.105 1.722 -6.832 1.00 2.24 H new ATOM 0 HD3 LYS A 33 18.466 2.327 -6.688 1.00 2.24 H new ATOM 0 HE2 LYS A 33 19.230 3.935 -4.932 1.00 2.94 H new ATOM 0 HE3 LYS A 33 20.870 3.347 -5.122 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 20.508 5.357 -6.393 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 20.828 4.058 -7.439 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 19.239 4.628 -7.256 1.00 3.44 H new ATOM 224 N LEU A 34 14.713 2.002 -3.626 1.00 0.72 N ATOM 225 CA LEU A 34 13.547 1.845 -2.761 1.00 0.64 C ATOM 226 C LEU A 34 12.530 0.913 -3.400 1.00 0.58 C ATOM 227 O LEU A 34 12.064 -0.032 -2.770 1.00 0.62 O ATOM 228 CB LEU A 34 12.898 3.199 -2.489 1.00 0.63 C ATOM 229 CG LEU A 34 11.551 3.159 -1.760 1.00 0.69 C ATOM 230 CD1 LEU A 34 11.672 2.466 -0.420 1.00 1.37 C ATOM 231 CD2 LEU A 34 11.002 4.565 -1.586 1.00 1.46 C ATOM 0 H LEU A 34 14.914 2.966 -3.892 1.00 0.72 H new ATOM 0 HA LEU A 34 13.881 1.413 -1.818 1.00 0.64 H new ATOM 0 HB2 LEU A 34 13.590 3.801 -1.900 1.00 0.63 H new ATOM 0 HB3 LEU A 34 12.759 3.712 -3.441 1.00 0.63 H new ATOM 0 HG LEU A 34 10.855 2.584 -2.370 1.00 0.69 H new ATOM 0 HD11 LEU A 34 10.700 2.454 0.072 1.00 1.37 H new ATOM 0 HD12 LEU A 34 12.016 1.443 -0.569 1.00 1.37 H new ATOM 0 HD13 LEU A 34 12.388 3.002 0.203 1.00 1.37 H new ATOM 0 HD21 LEU A 34 10.045 4.520 -1.067 1.00 1.46 H new ATOM 0 HD22 LEU A 34 11.704 5.160 -1.002 1.00 1.46 H new ATOM 0 HD23 LEU A 34 10.863 5.025 -2.564 1.00 1.46 H new ATOM 243 N ILE A 35 12.197 1.186 -4.654 1.00 0.54 N ATOM 244 CA ILE A 35 11.229 0.381 -5.383 1.00 0.52 C ATOM 245 C ILE A 35 11.696 -1.071 -5.476 1.00 0.55 C ATOM 246 O ILE A 35 10.896 -2.000 -5.338 1.00 0.58 O ATOM 247 CB ILE A 35 10.974 0.953 -6.799 1.00 0.56 C ATOM 248 CG1 ILE A 35 10.216 2.280 -6.705 1.00 0.57 C ATOM 249 CG2 ILE A 35 10.210 -0.037 -7.667 1.00 0.61 C ATOM 250 CD1 ILE A 35 9.945 2.923 -8.050 1.00 0.69 C ATOM 0 H ILE A 35 12.586 1.963 -5.189 1.00 0.54 H new ATOM 0 HA ILE A 35 10.290 0.413 -4.831 1.00 0.52 H new ATOM 0 HB ILE A 35 11.941 1.131 -7.270 1.00 0.56 H new ATOM 0 HG12 ILE A 35 9.267 2.111 -6.195 1.00 0.57 H new ATOM 0 HG13 ILE A 35 10.790 2.973 -6.090 1.00 0.57 H new ATOM 0 HG21 ILE A 35 10.047 0.395 -8.654 1.00 0.61 H new ATOM 0 HG22 ILE A 35 10.787 -0.957 -7.764 1.00 0.61 H new ATOM 0 HG23 ILE A 35 9.248 -0.259 -7.205 1.00 0.61 H new ATOM 0 HD11 ILE A 35 9.405 3.859 -7.904 1.00 0.69 H new ATOM 0 HD12 ILE A 35 10.890 3.124 -8.554 1.00 0.69 H new ATOM 0 HD13 ILE A 35 9.344 2.249 -8.661 1.00 0.69 H new ATOM 262 N GLU A 36 12.995 -1.256 -5.689 1.00 0.59 N ATOM 263 CA GLU A 36 13.586 -2.588 -5.711 1.00 0.66 C ATOM 264 C GLU A 36 13.323 -3.308 -4.395 1.00 0.62 C ATOM 265 O GLU A 36 12.708 -4.372 -4.374 1.00 0.62 O ATOM 266 CB GLU A 36 15.092 -2.500 -5.961 1.00 0.79 C ATOM 267 CG GLU A 36 15.451 -2.090 -7.376 1.00 0.76 C ATOM 268 CD GLU A 36 15.185 -3.188 -8.382 1.00 1.34 C ATOM 269 OE1 GLU A 36 14.023 -3.352 -8.807 1.00 2.15 O ATOM 270 OE2 GLU A 36 16.143 -3.895 -8.757 1.00 1.87 O ATOM 0 H GLU A 36 13.659 -0.498 -5.849 1.00 0.59 H new ATOM 0 HA GLU A 36 13.125 -3.153 -6.522 1.00 0.66 H new ATOM 0 HB2 GLU A 36 15.526 -1.784 -5.263 1.00 0.79 H new ATOM 0 HB3 GLU A 36 15.544 -3.468 -5.747 1.00 0.79 H new ATOM 0 HG2 GLU A 36 14.879 -1.204 -7.650 1.00 0.76 H new ATOM 0 HG3 GLU A 36 16.505 -1.814 -7.415 1.00 0.76 H new ATOM 277 N GLU A 37 13.770 -2.700 -3.302 1.00 0.62 N ATOM 278 CA GLU A 37 13.620 -3.282 -1.973 1.00 0.65 C ATOM 279 C GLU A 37 12.151 -3.508 -1.624 1.00 0.56 C ATOM 280 O GLU A 37 11.785 -4.565 -1.104 1.00 0.57 O ATOM 281 CB GLU A 37 14.261 -2.375 -0.922 1.00 0.73 C ATOM 282 CG GLU A 37 15.771 -2.255 -1.050 1.00 0.85 C ATOM 283 CD GLU A 37 16.475 -3.588 -0.925 1.00 1.30 C ATOM 284 OE1 GLU A 37 17.059 -4.054 -1.926 1.00 2.05 O ATOM 285 OE2 GLU A 37 16.450 -4.180 0.174 1.00 1.84 O ATOM 0 H GLU A 37 14.243 -1.796 -3.311 1.00 0.62 H new ATOM 0 HA GLU A 37 14.124 -4.248 -1.978 1.00 0.65 H new ATOM 0 HB2 GLU A 37 13.820 -1.381 -0.996 1.00 0.73 H new ATOM 0 HB3 GLU A 37 14.020 -2.758 0.070 1.00 0.73 H new ATOM 0 HG2 GLU A 37 16.016 -1.809 -2.014 1.00 0.85 H new ATOM 0 HG3 GLU A 37 16.144 -1.578 -0.281 1.00 0.85 H new ATOM 292 N ALA A 38 11.320 -2.514 -1.915 1.00 0.51 N ATOM 293 CA ALA A 38 9.900 -2.580 -1.596 1.00 0.46 C ATOM 294 C ALA A 38 9.227 -3.736 -2.321 1.00 0.42 C ATOM 295 O ALA A 38 8.488 -4.511 -1.709 1.00 0.43 O ATOM 296 CB ALA A 38 9.214 -1.268 -1.940 1.00 0.50 C ATOM 0 H ALA A 38 11.607 -1.649 -2.373 1.00 0.51 H new ATOM 0 HA ALA A 38 9.806 -2.753 -0.524 1.00 0.46 H new ATOM 0 HB1 ALA A 38 8.154 -1.336 -1.695 1.00 0.50 H new ATOM 0 HB2 ALA A 38 9.668 -0.459 -1.367 1.00 0.50 H new ATOM 0 HB3 ALA A 38 9.328 -1.066 -3.005 1.00 0.50 H new ATOM 302 N ARG A 39 9.487 -3.865 -3.619 1.00 0.43 N ATOM 303 CA ARG A 39 8.895 -4.949 -4.388 1.00 0.45 C ATOM 304 C ARG A 39 9.439 -6.281 -3.920 1.00 0.45 C ATOM 305 O ARG A 39 8.676 -7.177 -3.628 1.00 0.49 O ATOM 306 CB ARG A 39 9.157 -4.816 -5.884 1.00 0.53 C ATOM 307 CG ARG A 39 8.456 -5.896 -6.708 1.00 0.60 C ATOM 308 CD ARG A 39 9.127 -6.060 -8.062 1.00 0.77 C ATOM 309 NE ARG A 39 8.527 -7.127 -8.860 1.00 1.46 N ATOM 310 CZ ARG A 39 8.212 -7.005 -10.150 1.00 1.90 C ATOM 311 NH1 ARG A 39 8.414 -5.855 -10.785 1.00 1.82 N ATOM 312 NH2 ARG A 39 7.697 -8.036 -10.807 1.00 2.96 N ATOM 0 H ARG A 39 10.094 -3.242 -4.151 1.00 0.43 H new ATOM 0 HA ARG A 39 7.819 -4.894 -4.224 1.00 0.45 H new ATOM 0 HB2 ARG A 39 8.823 -3.835 -6.221 1.00 0.53 H new ATOM 0 HB3 ARG A 39 10.231 -4.867 -6.066 1.00 0.53 H new ATOM 0 HG2 ARG A 39 8.478 -6.843 -6.169 1.00 0.60 H new ATOM 0 HG3 ARG A 39 7.408 -5.632 -6.846 1.00 0.60 H new ATOM 0 HD2 ARG A 39 9.063 -5.121 -8.611 1.00 0.77 H new ATOM 0 HD3 ARG A 39 10.186 -6.272 -7.915 1.00 0.77 H new ATOM 0 HE ARG A 39 8.338 -8.019 -8.403 1.00 1.46 H new ATOM 0 HH11 ARG A 39 8.812 -5.060 -10.286 1.00 1.82 H new ATOM 0 HH12 ARG A 39 8.171 -5.768 -11.772 1.00 1.82 H new ATOM 0 HH21 ARG A 39 7.542 -8.922 -10.325 1.00 2.96 H new ATOM 0 HH22 ARG A 39 7.456 -7.943 -11.794 1.00 2.96 H new ATOM 326 N LYS A 40 10.761 -6.396 -3.837 1.00 0.49 N ATOM 327 CA LYS A 40 11.400 -7.655 -3.463 1.00 0.55 C ATOM 328 C LYS A 40 10.843 -8.189 -2.151 1.00 0.49 C ATOM 329 O LYS A 40 10.627 -9.393 -1.998 1.00 0.54 O ATOM 330 CB LYS A 40 12.913 -7.479 -3.343 1.00 0.70 C ATOM 331 CG LYS A 40 13.608 -7.216 -4.666 1.00 0.85 C ATOM 332 CD LYS A 40 15.105 -7.064 -4.474 1.00 1.27 C ATOM 333 CE LYS A 40 15.830 -6.925 -5.800 1.00 1.34 C ATOM 334 NZ LYS A 40 17.305 -6.969 -5.627 1.00 1.88 N ATOM 0 H LYS A 40 11.411 -5.633 -4.024 1.00 0.49 H new ATOM 0 HA LYS A 40 11.185 -8.376 -4.251 1.00 0.55 H new ATOM 0 HB2 LYS A 40 13.120 -6.652 -2.664 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.339 -8.375 -2.892 1.00 0.70 H new ATOM 0 HG2 LYS A 40 13.408 -8.036 -5.355 1.00 0.85 H new ATOM 0 HG3 LYS A 40 13.203 -6.312 -5.120 1.00 0.85 H new ATOM 0 HD2 LYS A 40 15.306 -6.189 -3.856 1.00 1.27 H new ATOM 0 HD3 LYS A 40 15.493 -7.929 -3.936 1.00 1.27 H new ATOM 0 HE2 LYS A 40 15.518 -7.726 -6.471 1.00 1.34 H new ATOM 0 HE3 LYS A 40 15.547 -5.985 -6.273 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 17.766 -6.871 -6.554 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 17.605 -6.190 -5.007 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 17.577 -7.877 -5.199 1.00 1.88 H new ATOM 348 N MET A 41 10.606 -7.285 -1.214 1.00 0.45 N ATOM 349 CA MET A 41 10.079 -7.646 0.084 1.00 0.46 C ATOM 350 C MET A 41 8.645 -8.162 -0.033 1.00 0.41 C ATOM 351 O MET A 41 8.330 -9.265 0.412 1.00 0.46 O ATOM 352 CB MET A 41 10.128 -6.420 0.986 1.00 0.57 C ATOM 353 CG MET A 41 10.066 -6.743 2.458 1.00 0.89 C ATOM 354 SD MET A 41 11.457 -7.756 2.992 1.00 1.10 S ATOM 355 CE MET A 41 11.070 -7.966 4.725 1.00 1.68 C ATOM 0 H MET A 41 10.774 -6.286 -1.335 1.00 0.45 H new ATOM 0 HA MET A 41 10.684 -8.447 0.510 1.00 0.46 H new ATOM 0 HB2 MET A 41 11.046 -5.868 0.783 1.00 0.57 H new ATOM 0 HB3 MET A 41 9.297 -5.761 0.733 1.00 0.57 H new ATOM 0 HG2 MET A 41 10.053 -5.816 3.031 1.00 0.89 H new ATOM 0 HG3 MET A 41 9.134 -7.265 2.675 1.00 0.89 H new ATOM 0 HE1 MET A 41 11.397 -8.952 5.054 1.00 1.68 H new ATOM 0 HE2 MET A 41 11.583 -7.201 5.308 1.00 1.68 H new ATOM 0 HE3 MET A 41 9.994 -7.873 4.871 1.00 1.68 H new ATOM 365 N ALA A 42 7.787 -7.365 -0.660 1.00 0.37 N ATOM 366 CA ALA A 42 6.373 -7.702 -0.793 1.00 0.39 C ATOM 367 C ALA A 42 6.151 -8.823 -1.805 1.00 0.42 C ATOM 368 O ALA A 42 5.180 -9.571 -1.709 1.00 0.49 O ATOM 369 CB ALA A 42 5.583 -6.468 -1.191 1.00 0.43 C ATOM 0 H ALA A 42 8.047 -6.476 -1.087 1.00 0.37 H new ATOM 0 HA ALA A 42 6.022 -8.061 0.174 1.00 0.39 H new ATOM 0 HB1 ALA A 42 4.529 -6.727 -1.288 1.00 0.43 H new ATOM 0 HB2 ALA A 42 5.699 -5.700 -0.427 1.00 0.43 H new ATOM 0 HB3 ALA A 42 5.954 -6.090 -2.144 1.00 0.43 H new ATOM 375 N GLU A 43 7.057 -8.938 -2.767 1.00 0.45 N ATOM 376 CA GLU A 43 6.951 -9.945 -3.813 1.00 0.59 C ATOM 377 C GLU A 43 7.100 -11.339 -3.215 1.00 0.63 C ATOM 378 O GLU A 43 6.325 -12.247 -3.514 1.00 0.75 O ATOM 379 CB GLU A 43 8.012 -9.732 -4.890 1.00 0.71 C ATOM 380 CG GLU A 43 7.870 -10.681 -6.065 1.00 0.87 C ATOM 381 CD GLU A 43 8.864 -10.394 -7.160 1.00 1.66 C ATOM 382 OE1 GLU A 43 10.033 -10.814 -7.030 1.00 2.36 O ATOM 383 OE2 GLU A 43 8.484 -9.743 -8.155 1.00 2.41 O ATOM 0 H GLU A 43 7.880 -8.340 -2.844 1.00 0.45 H new ATOM 0 HA GLU A 43 5.968 -9.850 -4.274 1.00 0.59 H new ATOM 0 HB2 GLU A 43 7.953 -8.705 -5.251 1.00 0.71 H new ATOM 0 HB3 GLU A 43 9.000 -9.858 -4.447 1.00 0.71 H new ATOM 0 HG2 GLU A 43 8.002 -11.706 -5.718 1.00 0.87 H new ATOM 0 HG3 GLU A 43 6.860 -10.608 -6.467 1.00 0.87 H new ATOM 390 N LYS A 44 8.104 -11.496 -2.355 1.00 0.60 N ATOM 391 CA LYS A 44 8.350 -12.767 -1.684 1.00 0.70 C ATOM 392 C LYS A 44 7.372 -12.957 -0.528 1.00 0.66 C ATOM 393 O LYS A 44 7.186 -14.067 -0.027 1.00 0.75 O ATOM 394 CB LYS A 44 9.799 -12.855 -1.187 1.00 0.81 C ATOM 395 CG LYS A 44 10.797 -13.304 -2.253 1.00 1.39 C ATOM 396 CD LYS A 44 10.931 -12.301 -3.392 1.00 2.35 C ATOM 397 CE LYS A 44 11.854 -12.820 -4.484 1.00 3.19 C ATOM 398 NZ LYS A 44 12.071 -11.820 -5.565 1.00 3.63 N ATOM 0 H LYS A 44 8.761 -10.756 -2.107 1.00 0.60 H new ATOM 0 HA LYS A 44 8.193 -13.569 -2.406 1.00 0.70 H new ATOM 0 HB2 LYS A 44 10.102 -11.879 -0.809 1.00 0.81 H new ATOM 0 HB3 LYS A 44 9.843 -13.549 -0.348 1.00 0.81 H new ATOM 0 HG2 LYS A 44 11.773 -13.455 -1.791 1.00 1.39 H new ATOM 0 HG3 LYS A 44 10.483 -14.266 -2.657 1.00 1.39 H new ATOM 0 HD2 LYS A 44 9.947 -12.093 -3.813 1.00 2.35 H new ATOM 0 HD3 LYS A 44 11.317 -11.358 -3.005 1.00 2.35 H new ATOM 0 HE2 LYS A 44 12.814 -13.092 -4.046 1.00 3.19 H new ATOM 0 HE3 LYS A 44 11.431 -13.728 -4.913 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 12.517 -12.283 -6.382 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 11.157 -11.416 -5.852 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 12.691 -11.061 -5.217 1.00 3.63 H new ATOM 412 N ALA A 45 6.745 -11.864 -0.115 1.00 0.57 N ATOM 413 CA ALA A 45 5.679 -11.921 0.873 1.00 0.59 C ATOM 414 C ALA A 45 4.352 -12.236 0.190 1.00 0.59 C ATOM 415 O ALA A 45 3.317 -12.375 0.842 1.00 0.66 O ATOM 416 CB ALA A 45 5.590 -10.612 1.640 1.00 0.56 C ATOM 0 H ALA A 45 6.958 -10.925 -0.451 1.00 0.57 H new ATOM 0 HA ALA A 45 5.903 -12.715 1.585 1.00 0.59 H new ATOM 0 HB1 ALA A 45 4.787 -10.674 2.374 1.00 0.56 H new ATOM 0 HB2 ALA A 45 6.535 -10.424 2.151 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.385 -9.797 0.946 1.00 0.56 H new ATOM 422 N ASN A 46 4.412 -12.341 -1.138 1.00 0.56 N ATOM 423 CA ASN A 46 3.264 -12.683 -1.977 1.00 0.60 C ATOM 424 C ASN A 46 2.147 -11.653 -1.837 1.00 0.54 C ATOM 425 O ASN A 46 0.962 -11.974 -1.909 1.00 0.63 O ATOM 426 CB ASN A 46 2.750 -14.096 -1.657 1.00 0.76 C ATOM 427 CG ASN A 46 1.764 -14.607 -2.694 1.00 1.41 C ATOM 428 OD1 ASN A 46 1.820 -14.226 -3.864 1.00 2.03 O ATOM 429 ND2 ASN A 46 0.854 -15.472 -2.273 1.00 2.18 N ATOM 0 H ASN A 46 5.270 -12.189 -1.667 1.00 0.56 H new ATOM 0 HA ASN A 46 3.598 -12.671 -3.014 1.00 0.60 H new ATOM 0 HB2 ASN A 46 3.596 -14.781 -1.596 1.00 0.76 H new ATOM 0 HB3 ASN A 46 2.272 -14.092 -0.677 1.00 0.76 H new ATOM 0 HD21 ASN A 46 0.166 -15.847 -2.926 1.00 2.18 H new ATOM 0 HD22 ASN A 46 0.841 -15.763 -1.295 1.00 2.18 H new ATOM 436 N LEU A 47 2.532 -10.404 -1.646 1.00 0.44 N ATOM 437 CA LEU A 47 1.565 -9.326 -1.578 1.00 0.42 C ATOM 438 C LEU A 47 1.283 -8.826 -2.977 1.00 0.41 C ATOM 439 O LEU A 47 2.118 -8.964 -3.873 1.00 0.58 O ATOM 440 CB LEU A 47 2.081 -8.159 -0.742 1.00 0.43 C ATOM 441 CG LEU A 47 2.664 -8.503 0.625 1.00 0.45 C ATOM 442 CD1 LEU A 47 2.938 -7.228 1.397 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.734 -9.408 1.412 1.00 0.59 C ATOM 0 H LEU A 47 3.503 -10.113 -1.536 1.00 0.44 H new ATOM 0 HA LEU A 47 0.661 -9.715 -1.110 1.00 0.42 H new ATOM 0 HB2 LEU A 47 2.847 -7.640 -1.318 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.261 -7.456 -0.595 1.00 0.43 H new ATOM 0 HG LEU A 47 3.599 -9.043 0.474 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.354 -7.476 2.373 1.00 0.47 H new ATOM 0 HD12 LEU A 47 3.649 -6.614 0.845 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.008 -6.676 1.529 1.00 0.47 H new ATOM 0 HD21 LEU A 47 2.180 -9.634 2.381 1.00 0.59 H new ATOM 0 HD22 LEU A 47 0.778 -8.906 1.560 1.00 0.59 H new ATOM 0 HD23 LEU A 47 1.576 -10.335 0.861 1.00 0.59 H new ATOM 455 N ILE A 48 0.120 -8.240 -3.170 1.00 0.30 N ATOM 456 CA ILE A 48 -0.205 -7.666 -4.457 1.00 0.32 C ATOM 457 C ILE A 48 0.233 -6.209 -4.500 1.00 0.32 C ATOM 458 O ILE A 48 -0.493 -5.307 -4.080 1.00 0.33 O ATOM 459 CB ILE A 48 -1.706 -7.803 -4.788 1.00 0.36 C ATOM 460 CG1 ILE A 48 -2.110 -9.281 -4.741 1.00 0.40 C ATOM 461 CG2 ILE A 48 -2.007 -7.207 -6.159 1.00 0.43 C ATOM 462 CD1 ILE A 48 -3.555 -9.542 -5.104 1.00 0.53 C ATOM 0 H ILE A 48 -0.608 -8.149 -2.461 1.00 0.30 H new ATOM 0 HA ILE A 48 0.338 -8.223 -5.221 1.00 0.32 H new ATOM 0 HB ILE A 48 -2.286 -7.254 -4.047 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -1.469 -9.843 -5.421 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -1.924 -9.665 -3.738 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -3.070 -7.312 -6.376 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -1.739 -6.151 -6.163 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -1.428 -7.732 -6.919 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -3.757 -10.611 -5.046 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -4.206 -9.011 -4.410 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -3.744 -9.192 -6.119 1.00 0.53 H new ATOM 474 N LEU A 49 1.453 -6.004 -4.976 1.00 0.34 N ATOM 475 CA LEU A 49 2.037 -4.677 -5.069 1.00 0.35 C ATOM 476 C LEU A 49 1.764 -4.071 -6.434 1.00 0.35 C ATOM 477 O LEU A 49 2.211 -4.592 -7.457 1.00 0.44 O ATOM 478 CB LEU A 49 3.548 -4.749 -4.823 1.00 0.44 C ATOM 479 CG LEU A 49 4.319 -3.441 -5.047 1.00 0.58 C ATOM 480 CD1 LEU A 49 3.942 -2.397 -4.013 1.00 0.90 C ATOM 481 CD2 LEU A 49 5.812 -3.696 -5.008 1.00 1.14 C ATOM 0 H LEU A 49 2.063 -6.752 -5.307 1.00 0.34 H new ATOM 0 HA LEU A 49 1.581 -4.044 -4.308 1.00 0.35 H new ATOM 0 HB2 LEU A 49 3.716 -5.078 -3.797 1.00 0.44 H new ATOM 0 HB3 LEU A 49 3.968 -5.514 -5.476 1.00 0.44 H new ATOM 0 HG LEU A 49 4.049 -3.058 -6.031 1.00 0.58 H new ATOM 0 HD11 LEU A 49 4.505 -1.482 -4.198 1.00 0.90 H new ATOM 0 HD12 LEU A 49 2.875 -2.187 -4.081 1.00 0.90 H new ATOM 0 HD13 LEU A 49 4.176 -2.771 -3.016 1.00 0.90 H new ATOM 0 HD21 LEU A 49 6.345 -2.759 -5.168 1.00 1.14 H new ATOM 0 HD22 LEU A 49 6.086 -4.108 -4.036 1.00 1.14 H new ATOM 0 HD23 LEU A 49 6.081 -4.405 -5.791 1.00 1.14 H new ATOM 493 N ILE A 50 1.024 -2.980 -6.449 1.00 0.33 N ATOM 494 CA ILE A 50 0.744 -2.279 -7.688 1.00 0.34 C ATOM 495 C ILE A 50 1.504 -0.960 -7.717 1.00 0.32 C ATOM 496 O ILE A 50 1.170 -0.018 -6.997 1.00 0.36 O ATOM 497 CB ILE A 50 -0.766 -2.016 -7.875 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.563 -3.316 -7.710 1.00 0.48 C ATOM 499 CG2 ILE A 50 -1.027 -1.402 -9.245 1.00 0.46 C ATOM 500 CD1 ILE A 50 -3.064 -3.119 -7.741 1.00 0.94 C ATOM 0 H ILE A 50 0.606 -2.560 -5.619 1.00 0.33 H new ATOM 0 HA ILE A 50 1.073 -2.916 -8.509 1.00 0.34 H new ATOM 0 HB ILE A 50 -1.094 -1.313 -7.109 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -1.280 -4.008 -8.503 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -1.286 -3.784 -6.765 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -2.095 -1.221 -9.365 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.487 -0.459 -9.330 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -0.685 -2.086 -10.022 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -3.560 -4.082 -7.618 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -3.360 -2.453 -6.931 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -3.354 -2.681 -8.696 1.00 0.94 H new ATOM 512 N THR A 51 2.541 -0.911 -8.532 1.00 0.32 N ATOM 513 CA THR A 51 3.378 0.269 -8.624 1.00 0.35 C ATOM 514 C THR A 51 2.828 1.251 -9.652 1.00 0.38 C ATOM 515 O THR A 51 2.813 0.967 -10.850 1.00 0.55 O ATOM 516 CB THR A 51 4.823 -0.111 -8.995 1.00 0.47 C ATOM 517 OG1 THR A 51 4.824 -0.953 -10.155 1.00 1.17 O ATOM 518 CG2 THR A 51 5.512 -0.831 -7.846 1.00 0.89 C ATOM 0 H THR A 51 2.824 -1.678 -9.142 1.00 0.32 H new ATOM 0 HA THR A 51 3.378 0.748 -7.645 1.00 0.35 H new ATOM 0 HB THR A 51 5.370 0.808 -9.206 1.00 0.47 H new ATOM 0 HG1 THR A 51 4.151 -0.634 -10.792 1.00 1.17 H new ATOM 0 HG21 THR A 51 6.531 -1.087 -8.136 1.00 0.89 H new ATOM 0 HG22 THR A 51 5.536 -0.181 -6.972 1.00 0.89 H new ATOM 0 HG23 THR A 51 4.963 -1.742 -7.606 1.00 0.89 H new ATOM 526 N VAL A 52 2.362 2.395 -9.174 1.00 0.39 N ATOM 527 CA VAL A 52 1.851 3.447 -10.042 1.00 0.49 C ATOM 528 C VAL A 52 2.574 4.753 -9.736 1.00 0.58 C ATOM 529 O VAL A 52 3.266 4.855 -8.723 1.00 0.80 O ATOM 530 CB VAL A 52 0.329 3.661 -9.858 1.00 0.59 C ATOM 531 CG1 VAL A 52 -0.459 2.416 -10.237 1.00 1.38 C ATOM 532 CG2 VAL A 52 0.012 4.062 -8.427 1.00 1.04 C ATOM 0 H VAL A 52 2.327 2.620 -8.180 1.00 0.39 H new ATOM 0 HA VAL A 52 2.029 3.140 -11.073 1.00 0.49 H new ATOM 0 HB VAL A 52 0.030 4.468 -10.527 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -1.524 2.602 -10.096 1.00 1.38 H new ATOM 0 HG12 VAL A 52 -0.269 2.169 -11.282 1.00 1.38 H new ATOM 0 HG13 VAL A 52 -0.149 1.583 -9.606 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -1.063 4.207 -8.320 1.00 1.04 H new ATOM 0 HG22 VAL A 52 0.342 3.276 -7.747 1.00 1.04 H new ATOM 0 HG23 VAL A 52 0.530 4.991 -8.186 1.00 1.04 H new ATOM 542 N GLY A 53 2.429 5.745 -10.600 1.00 0.66 N ATOM 543 CA GLY A 53 2.998 7.041 -10.308 1.00 0.75 C ATOM 544 C GLY A 53 2.058 8.175 -10.645 1.00 0.81 C ATOM 545 O GLY A 53 2.024 8.639 -11.786 1.00 1.24 O ATOM 0 H GLY A 53 1.933 5.677 -11.489 1.00 0.66 H new ATOM 0 HA2 GLY A 53 3.257 7.090 -9.250 1.00 0.75 H new ATOM 0 HA3 GLY A 53 3.924 7.162 -10.869 1.00 0.75 H new ATOM 549 N ASP A 54 1.328 8.620 -9.620 1.00 0.71 N ATOM 550 CA ASP A 54 0.411 9.766 -9.665 1.00 0.82 C ATOM 551 C ASP A 54 -0.643 9.572 -8.581 1.00 0.70 C ATOM 552 O ASP A 54 -0.977 8.434 -8.250 1.00 0.64 O ATOM 553 CB ASP A 54 -0.290 9.923 -11.019 1.00 1.08 C ATOM 554 CG ASP A 54 -1.090 11.203 -11.101 1.00 1.34 C ATOM 555 OD1 ASP A 54 -2.335 11.136 -11.086 1.00 1.75 O ATOM 556 OD2 ASP A 54 -0.473 12.287 -11.171 1.00 1.98 O ATOM 0 H ASP A 54 1.359 8.178 -8.701 1.00 0.71 H new ATOM 0 HA ASP A 54 0.999 10.670 -9.506 1.00 0.82 H new ATOM 0 HB2 ASP A 54 0.454 9.910 -11.815 1.00 1.08 H new ATOM 0 HB3 ASP A 54 -0.951 9.072 -11.185 1.00 1.08 H new ATOM 561 N GLU A 55 -1.169 10.659 -8.031 1.00 0.80 N ATOM 562 CA GLU A 55 -2.149 10.567 -6.953 1.00 0.79 C ATOM 563 C GLU A 55 -3.460 9.985 -7.478 1.00 0.69 C ATOM 564 O GLU A 55 -4.107 9.175 -6.815 1.00 0.71 O ATOM 565 CB GLU A 55 -2.380 11.950 -6.338 1.00 0.95 C ATOM 566 CG GLU A 55 -2.517 11.938 -4.821 1.00 0.90 C ATOM 567 CD GLU A 55 -3.848 11.394 -4.345 1.00 1.53 C ATOM 568 OE1 GLU A 55 -4.814 12.181 -4.251 1.00 2.16 O ATOM 569 OE2 GLU A 55 -3.933 10.186 -4.048 1.00 2.21 O ATOM 0 H GLU A 55 -0.936 11.612 -8.311 1.00 0.80 H new ATOM 0 HA GLU A 55 -1.765 9.902 -6.180 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -1.550 12.602 -6.613 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -3.282 12.383 -6.771 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -1.713 11.337 -4.395 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -2.391 12.953 -4.443 1.00 0.90 H new ATOM 576 N GLU A 56 -3.827 10.375 -8.690 1.00 0.70 N ATOM 577 CA GLU A 56 -5.048 9.882 -9.306 1.00 0.70 C ATOM 578 C GLU A 56 -4.874 8.425 -9.718 1.00 0.66 C ATOM 579 O GLU A 56 -5.773 7.607 -9.532 1.00 0.67 O ATOM 580 CB GLU A 56 -5.413 10.739 -10.517 1.00 0.82 C ATOM 581 CG GLU A 56 -5.607 12.209 -10.182 1.00 0.93 C ATOM 582 CD GLU A 56 -6.836 12.463 -9.335 1.00 1.33 C ATOM 583 OE1 GLU A 56 -7.865 12.895 -9.898 1.00 2.04 O ATOM 584 OE2 GLU A 56 -6.784 12.251 -8.111 1.00 1.89 O ATOM 0 H GLU A 56 -3.297 11.030 -9.265 1.00 0.70 H new ATOM 0 HA GLU A 56 -5.859 9.945 -8.581 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -4.628 10.646 -11.268 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -6.329 10.352 -10.963 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -4.726 12.576 -9.655 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -5.685 12.780 -11.107 1.00 0.93 H new ATOM 591 N GLU A 57 -3.698 8.102 -10.253 1.00 0.65 N ATOM 592 CA GLU A 57 -3.378 6.731 -10.643 1.00 0.65 C ATOM 593 C GLU A 57 -3.396 5.801 -9.440 1.00 0.55 C ATOM 594 O GLU A 57 -3.724 4.618 -9.565 1.00 0.52 O ATOM 595 CB GLU A 57 -2.013 6.657 -11.326 1.00 0.73 C ATOM 596 CG GLU A 57 -2.016 7.197 -12.745 1.00 1.11 C ATOM 597 CD GLU A 57 -2.909 6.388 -13.662 1.00 1.52 C ATOM 598 OE1 GLU A 57 -4.056 6.809 -13.910 1.00 2.13 O ATOM 599 OE2 GLU A 57 -2.471 5.318 -14.136 1.00 2.16 O ATOM 0 H GLU A 57 -2.950 8.773 -10.426 1.00 0.65 H new ATOM 0 HA GLU A 57 -4.143 6.409 -11.349 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -1.289 7.217 -10.734 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -1.679 5.620 -11.341 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -2.351 8.234 -12.737 1.00 1.11 H new ATOM 0 HG3 GLU A 57 -0.998 7.194 -13.136 1.00 1.11 H new ATOM 606 N LEU A 58 -3.040 6.336 -8.278 1.00 0.52 N ATOM 607 CA LEU A 58 -3.079 5.570 -7.043 1.00 0.48 C ATOM 608 C LEU A 58 -4.496 5.103 -6.763 1.00 0.46 C ATOM 609 O LEU A 58 -4.715 3.963 -6.368 1.00 0.44 O ATOM 610 CB LEU A 58 -2.573 6.406 -5.867 1.00 0.52 C ATOM 611 CG LEU A 58 -2.501 5.658 -4.533 1.00 0.55 C ATOM 612 CD1 LEU A 58 -1.437 4.575 -4.585 1.00 0.83 C ATOM 613 CD2 LEU A 58 -2.231 6.618 -3.387 1.00 0.74 C ATOM 0 H LEU A 58 -2.721 7.299 -8.168 1.00 0.52 H new ATOM 0 HA LEU A 58 -2.428 4.704 -7.161 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -1.580 6.785 -6.109 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -3.224 7.272 -5.748 1.00 0.52 H new ATOM 0 HG LEU A 58 -3.467 5.184 -4.357 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -1.401 4.054 -3.628 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -1.679 3.865 -5.376 1.00 0.83 H new ATOM 0 HD13 LEU A 58 -0.467 5.028 -4.789 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -2.184 6.063 -2.450 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -1.282 7.127 -3.555 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -3.033 7.354 -3.333 1.00 0.74 H new ATOM 625 N LYS A 59 -5.455 5.983 -7.011 1.00 0.52 N ATOM 626 CA LYS A 59 -6.854 5.696 -6.732 1.00 0.57 C ATOM 627 C LYS A 59 -7.383 4.614 -7.655 1.00 0.51 C ATOM 628 O LYS A 59 -8.381 3.959 -7.362 1.00 0.58 O ATOM 629 CB LYS A 59 -7.684 6.972 -6.862 1.00 0.69 C ATOM 630 CG LYS A 59 -7.102 8.128 -6.071 1.00 0.76 C ATOM 631 CD LYS A 59 -7.984 9.359 -6.128 1.00 0.97 C ATOM 632 CE LYS A 59 -7.311 10.545 -5.459 1.00 1.64 C ATOM 633 NZ LYS A 59 -6.731 10.191 -4.136 1.00 2.26 N ATOM 0 H LYS A 59 -5.288 6.908 -7.408 1.00 0.52 H new ATOM 0 HA LYS A 59 -6.934 5.327 -5.709 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -7.750 7.253 -7.913 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -8.700 6.777 -6.519 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -6.969 7.825 -5.032 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -6.114 8.372 -6.461 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -8.208 9.602 -7.167 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -8.935 9.152 -5.637 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -6.523 10.927 -6.108 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -8.037 11.348 -5.332 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -6.623 11.052 -3.563 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -7.363 9.526 -3.646 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -5.801 9.747 -4.272 1.00 2.26 H new ATOM 647 N LYS A 60 -6.691 4.415 -8.758 1.00 0.49 N ATOM 648 CA LYS A 60 -7.077 3.413 -9.732 1.00 0.48 C ATOM 649 C LYS A 60 -6.472 2.068 -9.354 1.00 0.41 C ATOM 650 O LYS A 60 -7.076 1.016 -9.569 1.00 0.41 O ATOM 651 CB LYS A 60 -6.610 3.853 -11.113 1.00 0.58 C ATOM 652 CG LYS A 60 -6.766 5.350 -11.332 1.00 0.72 C ATOM 653 CD LYS A 60 -8.132 5.736 -11.892 1.00 1.19 C ATOM 654 CE LYS A 60 -9.260 5.520 -10.896 1.00 1.91 C ATOM 655 NZ LYS A 60 -10.544 6.084 -11.386 1.00 2.35 N ATOM 0 H LYS A 60 -5.851 4.939 -9.004 1.00 0.49 H new ATOM 0 HA LYS A 60 -8.162 3.305 -9.747 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -5.564 3.577 -11.244 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -7.178 3.317 -11.873 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -6.609 5.867 -10.386 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -5.990 5.694 -12.016 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -8.114 6.784 -12.192 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -8.330 5.151 -12.790 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -9.380 4.453 -10.708 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -8.999 5.984 -9.945 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -11.289 5.917 -10.679 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -10.437 7.107 -11.541 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -10.806 5.624 -12.281 1.00 2.35 H new ATOM 669 N ALA A 61 -5.281 2.118 -8.767 1.00 0.40 N ATOM 670 CA ALA A 61 -4.623 0.928 -8.253 1.00 0.39 C ATOM 671 C ALA A 61 -5.325 0.461 -6.988 1.00 0.32 C ATOM 672 O ALA A 61 -5.580 -0.728 -6.804 1.00 0.34 O ATOM 673 CB ALA A 61 -3.154 1.216 -7.978 1.00 0.47 C ATOM 0 H ALA A 61 -4.750 2.979 -8.636 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.680 0.135 -8.999 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.673 0.317 -7.593 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.664 1.523 -8.902 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -3.072 2.015 -7.241 1.00 0.47 H new ATOM 679 N ILE A 62 -5.643 1.421 -6.128 1.00 0.31 N ATOM 680 CA ILE A 62 -6.426 1.160 -4.921 1.00 0.37 C ATOM 681 C ILE A 62 -7.774 0.537 -5.283 1.00 0.36 C ATOM 682 O ILE A 62 -8.214 -0.427 -4.656 1.00 0.38 O ATOM 683 CB ILE A 62 -6.660 2.458 -4.105 1.00 0.49 C ATOM 684 CG1 ILE A 62 -5.337 2.997 -3.558 1.00 0.45 C ATOM 685 CG2 ILE A 62 -7.638 2.215 -2.966 1.00 0.83 C ATOM 686 CD1 ILE A 62 -5.470 4.335 -2.863 1.00 0.53 C ATOM 0 H ILE A 62 -5.369 2.397 -6.244 1.00 0.31 H new ATOM 0 HA ILE A 62 -5.856 0.463 -4.306 1.00 0.37 H new ATOM 0 HB ILE A 62 -7.090 3.202 -4.775 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -4.921 2.273 -2.858 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -4.626 3.092 -4.379 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -7.785 3.140 -2.409 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -8.593 1.880 -3.371 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -7.238 1.450 -2.300 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -4.493 4.656 -2.501 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -5.857 5.073 -3.566 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -6.156 4.241 -2.021 1.00 0.53 H new ATOM 698 N LYS A 63 -8.418 1.088 -6.308 1.00 0.37 N ATOM 699 CA LYS A 63 -9.688 0.557 -6.791 1.00 0.40 C ATOM 700 C LYS A 63 -9.520 -0.873 -7.289 1.00 0.35 C ATOM 701 O LYS A 63 -10.344 -1.741 -7.010 1.00 0.40 O ATOM 702 CB LYS A 63 -10.237 1.432 -7.916 1.00 0.49 C ATOM 703 CG LYS A 63 -11.564 0.945 -8.464 1.00 0.59 C ATOM 704 CD LYS A 63 -12.063 1.827 -9.593 1.00 1.21 C ATOM 705 CE LYS A 63 -13.391 1.329 -10.131 1.00 1.94 C ATOM 706 NZ LYS A 63 -14.433 1.283 -9.073 1.00 2.76 N ATOM 0 H LYS A 63 -8.080 1.903 -6.820 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.393 0.559 -5.960 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -10.356 2.451 -7.548 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -9.509 1.468 -8.726 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -11.456 -0.079 -8.823 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -12.303 0.926 -7.663 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -12.173 2.851 -9.237 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -11.326 1.846 -10.396 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -13.723 1.980 -10.940 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -13.261 0.334 -10.556 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -15.370 1.187 -9.513 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -14.259 0.469 -8.449 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -14.400 2.160 -8.515 1.00 2.76 H new ATOM 720 N LYS A 64 -8.440 -1.108 -8.022 1.00 0.34 N ATOM 721 CA LYS A 64 -8.142 -2.432 -8.550 1.00 0.39 C ATOM 722 C LYS A 64 -7.936 -3.418 -7.404 1.00 0.35 C ATOM 723 O LYS A 64 -8.368 -4.566 -7.476 1.00 0.40 O ATOM 724 CB LYS A 64 -6.895 -2.374 -9.434 1.00 0.51 C ATOM 725 CG LYS A 64 -6.647 -3.643 -10.235 1.00 1.05 C ATOM 726 CD LYS A 64 -5.362 -3.551 -11.045 1.00 1.04 C ATOM 727 CE LYS A 64 -5.369 -2.357 -11.990 1.00 1.59 C ATOM 728 NZ LYS A 64 -4.123 -2.278 -12.796 1.00 2.11 N ATOM 0 H LYS A 64 -7.753 -0.395 -8.265 1.00 0.34 H new ATOM 0 HA LYS A 64 -8.983 -2.771 -9.154 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -6.989 -1.534 -10.122 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -6.026 -2.177 -8.807 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -6.591 -4.496 -9.559 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -7.488 -3.822 -10.905 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -4.511 -3.473 -10.368 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -5.229 -4.468 -11.620 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -6.228 -2.427 -12.657 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -5.487 -1.439 -11.414 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -4.169 -1.452 -13.426 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -3.304 -2.185 -12.161 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -4.023 -3.142 -13.366 1.00 2.11 H new ATOM 742 N ALA A 65 -7.283 -2.953 -6.346 1.00 0.30 N ATOM 743 CA ALA A 65 -7.088 -3.756 -5.148 1.00 0.30 C ATOM 744 C ALA A 65 -8.433 -4.121 -4.527 1.00 0.33 C ATOM 745 O ALA A 65 -8.649 -5.262 -4.117 1.00 0.38 O ATOM 746 CB ALA A 65 -6.223 -3.006 -4.146 1.00 0.31 C ATOM 0 H ALA A 65 -6.878 -2.018 -6.295 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.577 -4.678 -5.425 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -6.085 -3.618 -3.255 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -5.252 -2.791 -4.592 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.711 -2.071 -3.872 1.00 0.31 H new ATOM 752 N ASP A 66 -9.332 -3.142 -4.475 1.00 0.35 N ATOM 753 CA ASP A 66 -10.689 -3.361 -3.979 1.00 0.41 C ATOM 754 C ASP A 66 -11.399 -4.417 -4.818 1.00 0.40 C ATOM 755 O ASP A 66 -12.030 -5.326 -4.281 1.00 0.47 O ATOM 756 CB ASP A 66 -11.485 -2.050 -4.004 1.00 0.48 C ATOM 757 CG ASP A 66 -12.937 -2.218 -3.588 1.00 0.55 C ATOM 758 OD1 ASP A 66 -13.812 -2.270 -4.480 1.00 1.11 O ATOM 759 OD2 ASP A 66 -13.217 -2.278 -2.370 1.00 1.36 O ATOM 0 H ASP A 66 -9.144 -2.184 -4.772 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.625 -3.715 -2.950 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -11.006 -1.330 -3.341 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -11.449 -1.631 -5.009 1.00 0.48 H new ATOM 764 N ASP A 67 -11.266 -4.302 -6.137 1.00 0.36 N ATOM 765 CA ASP A 67 -11.882 -5.251 -7.063 1.00 0.38 C ATOM 766 C ASP A 67 -11.330 -6.662 -6.869 1.00 0.40 C ATOM 767 O ASP A 67 -12.095 -7.626 -6.771 1.00 0.48 O ATOM 768 CB ASP A 67 -11.678 -4.815 -8.520 1.00 0.42 C ATOM 769 CG ASP A 67 -12.601 -3.684 -8.934 1.00 0.95 C ATOM 770 OD1 ASP A 67 -12.144 -2.760 -9.643 1.00 1.66 O ATOM 771 OD2 ASP A 67 -13.795 -3.719 -8.562 1.00 1.68 O ATOM 0 H ASP A 67 -10.735 -3.558 -6.591 1.00 0.36 H new ATOM 0 HA ASP A 67 -12.949 -5.262 -6.843 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -10.643 -4.502 -8.658 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -11.843 -5.670 -9.176 1.00 0.42 H new ATOM 776 N ILE A 68 -10.006 -6.784 -6.809 1.00 0.37 N ATOM 777 CA ILE A 68 -9.369 -8.087 -6.646 1.00 0.41 C ATOM 778 C ILE A 68 -9.767 -8.720 -5.315 1.00 0.41 C ATOM 779 O ILE A 68 -10.100 -9.906 -5.253 1.00 0.47 O ATOM 780 CB ILE A 68 -7.828 -7.985 -6.731 1.00 0.43 C ATOM 781 CG1 ILE A 68 -7.404 -7.435 -8.097 1.00 0.46 C ATOM 782 CG2 ILE A 68 -7.185 -9.344 -6.486 1.00 0.48 C ATOM 783 CD1 ILE A 68 -5.912 -7.195 -8.221 1.00 0.51 C ATOM 0 H ILE A 68 -9.357 -6.000 -6.871 1.00 0.37 H new ATOM 0 HA ILE A 68 -9.716 -8.718 -7.464 1.00 0.41 H new ATOM 0 HB ILE A 68 -7.487 -7.298 -5.956 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -7.716 -8.134 -8.873 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -7.930 -6.498 -8.281 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -6.101 -9.250 -6.550 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -7.460 -9.703 -5.494 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -7.533 -10.052 -7.238 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -5.687 -6.806 -9.214 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.596 -6.473 -7.468 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -5.379 -8.134 -8.070 1.00 0.51 H new ATOM 795 N ALA A 69 -9.752 -7.919 -4.256 1.00 0.39 N ATOM 796 CA ALA A 69 -10.129 -8.396 -2.934 1.00 0.43 C ATOM 797 C ALA A 69 -11.593 -8.799 -2.903 1.00 0.47 C ATOM 798 O ALA A 69 -11.950 -9.834 -2.350 1.00 0.53 O ATOM 799 CB ALA A 69 -9.870 -7.324 -1.886 1.00 0.46 C ATOM 0 H ALA A 69 -9.482 -6.936 -4.289 1.00 0.39 H new ATOM 0 HA ALA A 69 -9.519 -9.271 -2.707 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -10.158 -7.698 -0.904 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -8.810 -7.069 -1.881 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -10.456 -6.436 -2.122 1.00 0.46 H new ATOM 805 N LYS A 70 -12.425 -7.975 -3.524 1.00 0.52 N ATOM 806 CA LYS A 70 -13.876 -8.139 -3.502 1.00 0.65 C ATOM 807 C LYS A 70 -14.296 -9.510 -3.973 1.00 0.63 C ATOM 808 O LYS A 70 -15.267 -10.076 -3.471 1.00 0.72 O ATOM 809 CB LYS A 70 -14.517 -7.103 -4.417 1.00 0.87 C ATOM 810 CG LYS A 70 -15.954 -6.756 -4.065 1.00 1.09 C ATOM 811 CD LYS A 70 -16.035 -5.984 -2.758 1.00 1.14 C ATOM 812 CE LYS A 70 -15.184 -4.723 -2.797 1.00 1.14 C ATOM 813 NZ LYS A 70 -15.311 -3.932 -1.558 1.00 1.50 N ATOM 0 H LYS A 70 -12.112 -7.167 -4.062 1.00 0.52 H new ATOM 0 HA LYS A 70 -14.204 -8.010 -2.470 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -13.919 -6.192 -4.389 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -14.486 -7.473 -5.442 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -16.393 -6.163 -4.867 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -16.542 -7.671 -3.986 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -17.072 -5.717 -2.556 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -15.705 -6.621 -1.938 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -14.139 -4.995 -2.948 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -15.480 -4.112 -3.649 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -14.595 -3.178 -1.553 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -16.260 -3.509 -1.512 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -15.168 -4.551 -0.735 1.00 1.50 H new ATOM 827 N LYS A 71 -13.571 -10.029 -4.946 1.00 0.62 N ATOM 828 CA LYS A 71 -13.881 -11.322 -5.511 1.00 0.76 C ATOM 829 C LYS A 71 -13.941 -12.384 -4.418 1.00 0.83 C ATOM 830 O LYS A 71 -14.829 -13.238 -4.425 1.00 1.03 O ATOM 831 CB LYS A 71 -12.844 -11.692 -6.575 1.00 0.84 C ATOM 832 CG LYS A 71 -13.119 -13.018 -7.265 1.00 1.26 C ATOM 833 CD LYS A 71 -12.233 -13.226 -8.487 1.00 1.71 C ATOM 834 CE LYS A 71 -12.761 -12.494 -9.720 1.00 2.27 C ATOM 835 NZ LYS A 71 -12.609 -11.015 -9.631 1.00 2.71 N ATOM 0 H LYS A 71 -12.760 -9.570 -5.361 1.00 0.62 H new ATOM 0 HA LYS A 71 -14.861 -11.273 -5.986 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -12.810 -10.903 -7.326 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -11.859 -11.732 -6.110 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -12.959 -13.833 -6.559 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -14.166 -13.059 -7.566 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -11.224 -12.877 -8.265 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -12.161 -14.292 -8.703 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -12.234 -12.855 -10.603 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -13.815 -12.737 -9.856 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -12.487 -10.620 -10.586 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -13.458 -10.605 -9.192 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -11.775 -10.786 -9.053 1.00 2.71 H new ATOM 917 N ALA A 77 -9.951 -7.291 4.393 1.00 0.55 N ATOM 918 CA ALA A 77 -8.643 -7.284 3.778 1.00 0.44 C ATOM 919 C ALA A 77 -7.834 -6.130 4.334 1.00 0.37 C ATOM 920 O ALA A 77 -8.398 -5.179 4.870 1.00 0.42 O ATOM 921 CB ALA A 77 -8.762 -7.179 2.264 1.00 0.71 C ATOM 0 HA ALA A 77 -8.134 -8.220 4.007 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -7.766 -7.175 1.820 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -9.326 -8.031 1.883 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -9.279 -6.256 2.003 1.00 0.71 H new ATOM 927 N LYS A 78 -6.525 -6.214 4.226 1.00 0.35 N ATOM 928 CA LYS A 78 -5.669 -5.141 4.686 1.00 0.37 C ATOM 929 C LYS A 78 -4.739 -4.709 3.571 1.00 0.33 C ATOM 930 O LYS A 78 -4.207 -5.540 2.831 1.00 0.37 O ATOM 931 CB LYS A 78 -4.886 -5.553 5.936 1.00 0.50 C ATOM 932 CG LYS A 78 -5.753 -5.620 7.184 1.00 0.63 C ATOM 933 CD LYS A 78 -4.953 -5.952 8.432 1.00 0.89 C ATOM 934 CE LYS A 78 -4.418 -7.372 8.400 1.00 1.04 C ATOM 935 NZ LYS A 78 -3.887 -7.786 9.721 1.00 1.67 N ATOM 0 H LYS A 78 -6.031 -7.011 3.825 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.294 -4.292 4.964 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -4.427 -6.527 5.766 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -4.075 -4.843 6.101 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -6.257 -4.664 7.324 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -6.529 -6.372 7.043 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -4.122 -5.253 8.527 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -5.582 -5.821 9.312 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -5.213 -8.054 8.097 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -3.630 -7.448 7.651 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -3.530 -8.761 9.662 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -3.112 -7.150 9.999 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -4.646 -7.738 10.431 1.00 1.67 H new ATOM 949 N ILE A 79 -4.571 -3.407 3.437 1.00 0.29 N ATOM 950 CA ILE A 79 -3.773 -2.849 2.364 1.00 0.29 C ATOM 951 C ILE A 79 -2.777 -1.843 2.927 1.00 0.29 C ATOM 952 O ILE A 79 -3.083 -1.125 3.878 1.00 0.40 O ATOM 953 CB ILE A 79 -4.671 -2.158 1.307 1.00 0.31 C ATOM 954 CG1 ILE A 79 -5.735 -3.131 0.783 1.00 0.37 C ATOM 955 CG2 ILE A 79 -3.832 -1.617 0.157 1.00 0.35 C ATOM 956 CD1 ILE A 79 -6.668 -2.524 -0.245 1.00 0.49 C ATOM 0 H ILE A 79 -4.980 -2.713 4.063 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.235 -3.664 1.880 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.176 -1.320 1.786 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.238 -3.995 0.343 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.325 -3.497 1.624 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -4.483 -1.136 -0.573 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.116 -0.890 0.540 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.296 -2.438 -0.320 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.391 -3.273 -0.567 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.194 -1.678 0.196 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.091 -2.184 -1.105 1.00 0.49 H new ATOM 968 N LEU A 80 -1.584 -1.814 2.366 1.00 0.23 N ATOM 969 CA LEU A 80 -0.581 -0.842 2.766 1.00 0.28 C ATOM 970 C LEU A 80 -0.314 0.105 1.604 1.00 0.30 C ATOM 971 O LEU A 80 -0.228 -0.327 0.461 1.00 0.45 O ATOM 972 CB LEU A 80 0.714 -1.554 3.181 1.00 0.40 C ATOM 973 CG LEU A 80 1.745 -0.692 3.922 1.00 0.57 C ATOM 974 CD1 LEU A 80 1.196 -0.231 5.262 1.00 1.22 C ATOM 975 CD2 LEU A 80 3.038 -1.469 4.116 1.00 1.40 C ATOM 0 H LEU A 80 -1.284 -2.453 1.630 1.00 0.23 H new ATOM 0 HA LEU A 80 -0.947 -0.273 3.621 1.00 0.28 H new ATOM 0 HB2 LEU A 80 0.453 -2.400 3.816 1.00 0.40 H new ATOM 0 HB3 LEU A 80 1.185 -1.961 2.286 1.00 0.40 H new ATOM 0 HG LEU A 80 1.955 0.191 3.318 1.00 0.57 H new ATOM 0 HD11 LEU A 80 1.943 0.379 5.771 1.00 1.22 H new ATOM 0 HD12 LEU A 80 0.294 0.359 5.102 1.00 1.22 H new ATOM 0 HD13 LEU A 80 0.957 -1.100 5.876 1.00 1.22 H new ATOM 0 HD21 LEU A 80 3.761 -0.846 4.643 1.00 1.40 H new ATOM 0 HD22 LEU A 80 2.839 -2.367 4.700 1.00 1.40 H new ATOM 0 HD23 LEU A 80 3.442 -1.751 3.144 1.00 1.40 H new ATOM 987 N ILE A 81 -0.229 1.391 1.882 1.00 0.27 N ATOM 988 CA ILE A 81 0.105 2.358 0.846 1.00 0.27 C ATOM 989 C ILE A 81 1.374 3.097 1.221 1.00 0.27 C ATOM 990 O ILE A 81 1.378 3.888 2.154 1.00 0.33 O ATOM 991 CB ILE A 81 -1.023 3.389 0.609 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.334 2.691 0.242 1.00 0.28 C ATOM 993 CG2 ILE A 81 -0.622 4.359 -0.497 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.508 3.639 0.110 1.00 0.38 C ATOM 0 H ILE A 81 -0.384 1.792 2.807 1.00 0.27 H new ATOM 0 HA ILE A 81 0.244 1.796 -0.078 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.177 3.944 1.534 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -2.201 2.157 -0.699 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.564 1.944 1.002 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.423 5.081 -0.656 1.00 0.34 H new ATOM 0 HG22 ILE A 81 0.288 4.885 -0.208 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.444 3.806 -1.419 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.403 3.075 -0.152 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -3.668 4.155 1.057 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.299 4.370 -0.671 1.00 0.38 H new ATOM 1006 N LEU A 82 2.448 2.824 0.508 1.00 0.27 N ATOM 1007 CA LEU A 82 3.710 3.498 0.752 1.00 0.31 C ATOM 1008 C LEU A 82 3.827 4.704 -0.167 1.00 0.34 C ATOM 1009 O LEU A 82 4.062 4.564 -1.358 1.00 0.59 O ATOM 1010 CB LEU A 82 4.881 2.540 0.523 1.00 0.43 C ATOM 1011 CG LEU A 82 4.844 1.252 1.351 1.00 0.76 C ATOM 1012 CD1 LEU A 82 6.079 0.411 1.080 1.00 1.61 C ATOM 1013 CD2 LEU A 82 4.733 1.567 2.834 1.00 1.08 C ATOM 0 H LEU A 82 2.473 2.139 -0.247 1.00 0.27 H new ATOM 0 HA LEU A 82 3.741 3.832 1.789 1.00 0.31 H new ATOM 0 HB2 LEU A 82 4.909 2.273 -0.533 1.00 0.43 H new ATOM 0 HB3 LEU A 82 5.809 3.068 0.743 1.00 0.43 H new ATOM 0 HG LEU A 82 3.963 0.682 1.055 1.00 0.76 H new ATOM 0 HD11 LEU A 82 6.037 -0.500 1.676 1.00 1.61 H new ATOM 0 HD12 LEU A 82 6.117 0.151 0.022 1.00 1.61 H new ATOM 0 HD13 LEU A 82 6.971 0.978 1.347 1.00 1.61 H new ATOM 0 HD21 LEU A 82 4.708 0.637 3.403 1.00 1.08 H new ATOM 0 HD22 LEU A 82 5.593 2.160 3.145 1.00 1.08 H new ATOM 0 HD23 LEU A 82 3.818 2.130 3.019 1.00 1.08 H new ATOM 1025 N LEU A 83 3.642 5.887 0.379 1.00 0.35 N ATOM 1026 CA LEU A 83 3.674 7.098 -0.422 1.00 0.42 C ATOM 1027 C LEU A 83 4.622 8.105 0.181 1.00 0.44 C ATOM 1028 O LEU A 83 4.914 8.054 1.374 1.00 0.55 O ATOM 1029 CB LEU A 83 2.275 7.733 -0.555 1.00 0.45 C ATOM 1030 CG LEU A 83 1.549 8.121 0.749 1.00 0.49 C ATOM 1031 CD1 LEU A 83 0.399 9.062 0.438 1.00 1.17 C ATOM 1032 CD2 LEU A 83 1.008 6.901 1.476 1.00 1.13 C ATOM 0 H LEU A 83 3.468 6.039 1.372 1.00 0.35 H new ATOM 0 HA LEU A 83 4.020 6.816 -1.416 1.00 0.42 H new ATOM 0 HB2 LEU A 83 2.368 8.629 -1.169 1.00 0.45 H new ATOM 0 HB3 LEU A 83 1.639 7.037 -1.101 1.00 0.45 H new ATOM 0 HG LEU A 83 2.276 8.612 1.396 1.00 0.49 H new ATOM 0 HD11 LEU A 83 -0.110 9.333 1.363 1.00 1.17 H new ATOM 0 HD12 LEU A 83 0.785 9.962 -0.041 1.00 1.17 H new ATOM 0 HD13 LEU A 83 -0.304 8.568 -0.232 1.00 1.17 H new ATOM 0 HD21 LEU A 83 0.504 7.216 2.390 1.00 1.13 H new ATOM 0 HD22 LEU A 83 0.300 6.378 0.833 1.00 1.13 H new ATOM 0 HD23 LEU A 83 1.831 6.233 1.728 1.00 1.13 H new ATOM 1044 N GLU A 84 5.121 9.017 -0.637 1.00 0.43 N ATOM 1045 CA GLU A 84 5.849 10.135 -0.094 1.00 0.45 C ATOM 1046 C GLU A 84 4.899 11.317 -0.048 1.00 0.47 C ATOM 1047 O GLU A 84 4.682 12.001 -1.050 1.00 0.54 O ATOM 1048 CB GLU A 84 7.071 10.451 -0.965 1.00 0.55 C ATOM 1049 CG GLU A 84 8.009 9.263 -1.153 1.00 1.29 C ATOM 1050 CD GLU A 84 9.218 9.595 -2.005 1.00 1.47 C ATOM 1051 OE1 GLU A 84 10.174 10.203 -1.476 1.00 1.94 O ATOM 1052 OE2 GLU A 84 9.225 9.247 -3.207 1.00 2.04 O ATOM 0 H GLU A 84 5.035 9.002 -1.653 1.00 0.43 H new ATOM 0 HA GLU A 84 6.215 9.906 0.907 1.00 0.45 H new ATOM 0 HB2 GLU A 84 6.731 10.794 -1.942 1.00 0.55 H new ATOM 0 HB3 GLU A 84 7.626 11.274 -0.514 1.00 0.55 H new ATOM 0 HG2 GLU A 84 8.344 8.913 -0.177 1.00 1.29 H new ATOM 0 HG3 GLU A 84 7.460 8.442 -1.615 1.00 1.29 H new ATOM 1059 N LYS A 85 4.342 11.535 1.130 1.00 0.45 N ATOM 1060 CA LYS A 85 3.389 12.605 1.371 1.00 0.56 C ATOM 1061 C LYS A 85 3.056 12.626 2.860 1.00 0.53 C ATOM 1062 O LYS A 85 2.947 11.564 3.473 1.00 0.53 O ATOM 1063 CB LYS A 85 2.117 12.367 0.541 1.00 0.74 C ATOM 1064 CG LYS A 85 1.161 13.550 0.501 1.00 1.00 C ATOM 1065 CD LYS A 85 -0.031 13.270 -0.406 1.00 0.91 C ATOM 1066 CE LYS A 85 -0.980 14.461 -0.468 1.00 1.66 C ATOM 1067 NZ LYS A 85 -2.114 14.226 -1.407 1.00 2.02 N ATOM 0 H LYS A 85 4.540 10.969 1.955 1.00 0.45 H new ATOM 0 HA LYS A 85 3.815 13.564 1.076 1.00 0.56 H new ATOM 0 HB2 LYS A 85 2.406 12.114 -0.479 1.00 0.74 H new ATOM 0 HB3 LYS A 85 1.590 11.503 0.946 1.00 0.74 H new ATOM 0 HG2 LYS A 85 0.810 13.770 1.509 1.00 1.00 H new ATOM 0 HG3 LYS A 85 1.689 14.435 0.147 1.00 1.00 H new ATOM 0 HD2 LYS A 85 0.322 13.033 -1.410 1.00 0.91 H new ATOM 0 HD3 LYS A 85 -0.568 12.394 -0.042 1.00 0.91 H new ATOM 0 HE2 LYS A 85 -1.371 14.664 0.529 1.00 1.66 H new ATOM 0 HE3 LYS A 85 -0.428 15.348 -0.781 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 -2.828 14.971 -1.282 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 -1.763 14.243 -2.386 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 -2.542 13.299 -1.209 1.00 2.02 H new ATOM 1081 N PRO A 86 2.922 13.808 3.477 1.00 0.60 N ATOM 1082 CA PRO A 86 2.449 13.904 4.860 1.00 0.62 C ATOM 1083 C PRO A 86 1.017 13.394 4.977 1.00 0.61 C ATOM 1084 O PRO A 86 0.104 13.939 4.352 1.00 0.68 O ATOM 1085 CB PRO A 86 2.514 15.406 5.170 1.00 0.74 C ATOM 1086 CG PRO A 86 3.415 15.980 4.130 1.00 0.85 C ATOM 1087 CD PRO A 86 3.232 15.126 2.908 1.00 0.74 C ATOM 0 HA PRO A 86 3.044 13.305 5.549 1.00 0.62 H new ATOM 0 HB2 PRO A 86 1.524 15.860 5.128 1.00 0.74 H new ATOM 0 HB3 PRO A 86 2.904 15.585 6.172 1.00 0.74 H new ATOM 0 HG2 PRO A 86 3.159 17.019 3.922 1.00 0.85 H new ATOM 0 HG3 PRO A 86 4.453 15.968 4.463 1.00 0.85 H new ATOM 0 HD2 PRO A 86 2.425 15.493 2.275 1.00 0.74 H new ATOM 0 HD3 PRO A 86 4.132 15.100 2.294 1.00 0.74 H new ATOM 1095 N VAL A 87 0.821 12.348 5.768 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.485 11.714 5.872 1.00 0.62 C ATOM 1097 C VAL A 87 -1.117 11.946 7.239 1.00 0.62 C ATOM 1098 O VAL A 87 -0.479 11.761 8.278 1.00 0.66 O ATOM 1099 CB VAL A 87 -0.413 10.196 5.583 1.00 0.69 C ATOM 1100 CG1 VAL A 87 -0.002 9.947 4.140 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.544 9.495 6.538 1.00 0.88 C ATOM 0 H VAL A 87 1.547 11.922 6.345 1.00 0.59 H new ATOM 0 HA VAL A 87 -1.113 12.181 5.114 1.00 0.62 H new ATOM 0 HB VAL A 87 -1.408 9.779 5.740 1.00 0.69 H new ATOM 0 HG11 VAL A 87 0.044 8.874 3.955 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -0.733 10.400 3.470 1.00 1.17 H new ATOM 0 HG13 VAL A 87 0.978 10.388 3.960 1.00 1.17 H new ATOM 0 HG21 VAL A 87 0.572 8.430 6.308 1.00 0.88 H new ATOM 0 HG22 VAL A 87 1.543 9.916 6.426 1.00 0.88 H new ATOM 0 HG23 VAL A 87 0.203 9.636 7.564 1.00 0.88 H new ATOM 1111 N SER A 88 -2.360 12.393 7.229 1.00 0.69 N ATOM 1112 CA SER A 88 -3.116 12.582 8.453 1.00 0.76 C ATOM 1113 C SER A 88 -4.087 11.417 8.669 1.00 0.72 C ATOM 1114 O SER A 88 -4.430 10.722 7.711 1.00 0.69 O ATOM 1115 CB SER A 88 -3.873 13.908 8.388 1.00 0.92 C ATOM 1116 OG SER A 88 -2.988 14.984 8.118 1.00 1.44 O ATOM 0 H SER A 88 -2.870 12.633 6.379 1.00 0.69 H new ATOM 0 HA SER A 88 -2.427 12.608 9.297 1.00 0.76 H new ATOM 0 HB2 SER A 88 -4.637 13.857 7.613 1.00 0.92 H new ATOM 0 HB3 SER A 88 -4.388 14.084 9.332 1.00 0.92 H new ATOM 0 HG SER A 88 -3.494 15.822 8.079 1.00 1.44 H new ATOM 1122 N PRO A 89 -4.521 11.165 9.919 1.00 0.78 N ATOM 1123 CA PRO A 89 -5.494 10.105 10.229 1.00 0.79 C ATOM 1124 C PRO A 89 -6.707 10.113 9.292 1.00 0.67 C ATOM 1125 O PRO A 89 -7.049 9.088 8.697 1.00 0.65 O ATOM 1126 CB PRO A 89 -5.920 10.436 11.657 1.00 0.98 C ATOM 1127 CG PRO A 89 -4.727 11.098 12.254 1.00 1.14 C ATOM 1128 CD PRO A 89 -4.074 11.870 11.138 1.00 0.92 C ATOM 0 HA PRO A 89 -5.062 9.111 10.109 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -6.788 11.095 11.670 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -6.193 9.537 12.209 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -5.017 11.761 13.069 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -4.041 10.361 12.671 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -4.388 12.914 11.135 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -2.988 11.864 11.229 1.00 0.92 H new ATOM 1136 N GLU A 90 -7.338 11.278 9.146 1.00 0.71 N ATOM 1137 CA GLU A 90 -8.506 11.418 8.277 1.00 0.72 C ATOM 1138 C GLU A 90 -8.163 11.055 6.836 1.00 0.64 C ATOM 1139 O GLU A 90 -8.971 10.456 6.129 1.00 0.68 O ATOM 1140 CB GLU A 90 -9.050 12.848 8.323 1.00 0.87 C ATOM 1141 CG GLU A 90 -9.775 13.199 9.611 1.00 1.24 C ATOM 1142 CD GLU A 90 -11.005 12.348 9.843 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -11.054 11.638 10.869 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -11.932 12.388 9.004 1.00 2.37 O ATOM 0 H GLU A 90 -7.060 12.138 9.618 1.00 0.71 H new ATOM 0 HA GLU A 90 -9.270 10.732 8.643 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -8.223 13.544 8.184 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -9.732 12.992 7.485 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -9.092 13.078 10.452 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -10.065 14.249 9.584 1.00 1.24 H new ATOM 1151 N TYR A 91 -6.955 11.412 6.420 1.00 0.62 N ATOM 1152 CA TYR A 91 -6.496 11.152 5.061 1.00 0.62 C ATOM 1153 C TYR A 91 -6.440 9.650 4.805 1.00 0.52 C ATOM 1154 O TYR A 91 -6.801 9.178 3.727 1.00 0.52 O ATOM 1155 CB TYR A 91 -5.120 11.785 4.851 1.00 0.72 C ATOM 1156 CG TYR A 91 -4.659 11.820 3.413 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -5.160 12.769 2.531 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -3.711 10.920 2.940 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -4.731 12.820 1.220 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -3.280 10.963 1.628 1.00 3.00 C ATOM 1161 CZ TYR A 91 -3.793 11.916 0.773 1.00 2.89 C ATOM 1162 OH TYR A 91 -3.361 11.970 -0.531 1.00 3.78 O ATOM 0 H TYR A 91 -6.270 11.886 7.009 1.00 0.62 H new ATOM 0 HA TYR A 91 -7.197 11.595 4.354 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -5.140 12.804 5.238 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -4.387 11.235 5.441 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -5.897 13.479 2.877 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -3.305 10.175 3.609 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -5.129 13.566 0.548 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -2.546 10.255 1.274 1.00 3.00 H new ATOM 0 HH TYR A 91 -2.699 11.265 -0.686 1.00 3.78 H new ATOM 1172 N GLU A 92 -6.003 8.907 5.816 1.00 0.48 N ATOM 1173 CA GLU A 92 -5.958 7.460 5.745 1.00 0.42 C ATOM 1174 C GLU A 92 -7.360 6.882 5.593 1.00 0.42 C ATOM 1175 O GLU A 92 -7.597 6.010 4.759 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.300 6.897 7.006 1.00 0.48 C ATOM 1177 CG GLU A 92 -5.255 5.383 7.031 1.00 0.49 C ATOM 1178 CD GLU A 92 -4.552 4.834 8.254 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -3.305 4.770 8.250 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -5.246 4.465 9.228 1.00 1.14 O ATOM 0 H GLU A 92 -5.673 9.293 6.701 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.370 7.177 4.872 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.284 7.285 7.082 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -5.844 7.252 7.881 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.273 4.994 6.998 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -4.748 5.025 6.135 1.00 0.49 H new ATOM 1187 N LYS A 93 -8.291 7.394 6.386 1.00 0.47 N ATOM 1188 CA LYS A 93 -9.639 6.854 6.425 1.00 0.54 C ATOM 1189 C LYS A 93 -10.410 7.231 5.163 1.00 0.53 C ATOM 1190 O LYS A 93 -11.378 6.570 4.803 1.00 0.55 O ATOM 1191 CB LYS A 93 -10.380 7.337 7.675 1.00 0.69 C ATOM 1192 CG LYS A 93 -9.603 7.136 8.973 1.00 1.51 C ATOM 1193 CD LYS A 93 -9.052 5.720 9.103 1.00 2.25 C ATOM 1194 CE LYS A 93 -8.295 5.534 10.413 1.00 2.80 C ATOM 1195 NZ LYS A 93 -7.599 4.218 10.481 1.00 3.25 N ATOM 0 H LYS A 93 -8.135 8.184 7.012 1.00 0.47 H new ATOM 0 HA LYS A 93 -9.568 5.767 6.469 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -10.610 8.396 7.562 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -11.331 6.810 7.748 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -8.780 7.849 9.016 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -10.254 7.350 9.821 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -9.871 5.003 9.050 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -8.388 5.508 8.265 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -7.565 6.335 10.525 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -8.991 5.618 11.248 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -7.346 4.009 11.468 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -8.229 3.473 10.120 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -6.735 4.252 9.902 1.00 3.25 H new ATOM 1209 N LYS A 94 -9.975 8.292 4.496 1.00 0.54 N ATOM 1210 CA LYS A 94 -10.545 8.667 3.207 1.00 0.59 C ATOM 1211 C LYS A 94 -10.261 7.584 2.174 1.00 0.52 C ATOM 1212 O LYS A 94 -11.152 7.166 1.432 1.00 0.57 O ATOM 1213 CB LYS A 94 -9.976 10.005 2.729 1.00 0.67 C ATOM 1214 CG LYS A 94 -10.512 11.207 3.488 1.00 1.19 C ATOM 1215 CD LYS A 94 -9.815 12.487 3.058 1.00 1.48 C ATOM 1216 CE LYS A 94 -10.436 13.710 3.712 1.00 1.97 C ATOM 1217 NZ LYS A 94 -10.477 13.596 5.194 1.00 2.44 N ATOM 0 H LYS A 94 -9.231 8.907 4.825 1.00 0.54 H new ATOM 0 HA LYS A 94 -11.623 8.774 3.328 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -8.890 9.982 2.824 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -10.201 10.127 1.669 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -11.585 11.299 3.317 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -10.372 11.056 4.558 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -8.758 12.432 3.319 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -9.871 12.586 1.974 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -9.867 14.597 3.433 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -11.448 13.848 3.332 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -10.274 14.523 5.619 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -11.421 13.277 5.492 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -9.764 12.907 5.509 1.00 2.44 H new ATOM 1231 N LEU A 95 -9.016 7.128 2.136 1.00 0.47 N ATOM 1232 CA LEU A 95 -8.617 6.076 1.210 1.00 0.45 C ATOM 1233 C LEU A 95 -9.143 4.727 1.685 1.00 0.39 C ATOM 1234 O LEU A 95 -9.481 3.859 0.880 1.00 0.41 O ATOM 1235 CB LEU A 95 -7.091 6.034 1.077 1.00 0.46 C ATOM 1236 CG LEU A 95 -6.446 7.333 0.581 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -4.935 7.189 0.511 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -7.002 7.728 -0.779 1.00 1.12 C ATOM 0 H LEU A 95 -8.265 7.470 2.736 1.00 0.47 H new ATOM 0 HA LEU A 95 -9.046 6.293 0.232 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.664 5.782 2.048 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -6.823 5.229 0.392 1.00 0.46 H new ATOM 0 HG LEU A 95 -6.687 8.122 1.293 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -4.497 8.122 0.157 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -4.545 6.958 1.502 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -4.678 6.383 -0.176 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -6.530 8.653 -1.111 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -6.796 6.937 -1.500 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -8.079 7.878 -0.702 1.00 1.12 H new ATOM 1250 N GLN A 96 -9.222 4.570 3.001 1.00 0.37 N ATOM 1251 CA GLN A 96 -9.735 3.350 3.608 1.00 0.40 C ATOM 1252 C GLN A 96 -11.212 3.168 3.276 1.00 0.45 C ATOM 1253 O GLN A 96 -11.680 2.052 3.086 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.516 3.389 5.129 1.00 0.53 C ATOM 1255 CG GLN A 96 -9.877 2.100 5.860 1.00 0.60 C ATOM 1256 CD GLN A 96 -11.338 2.042 6.265 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -11.956 3.069 6.543 1.00 1.79 O ATOM 1258 NE2 GLN A 96 -11.900 0.846 6.296 1.00 2.20 N ATOM 0 H GLN A 96 -8.934 5.281 3.673 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.192 2.497 3.201 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -8.469 3.621 5.325 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -10.107 4.205 5.546 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -9.648 1.248 5.219 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -9.254 2.006 6.750 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -11.352 0.019 6.058 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -12.881 0.750 6.558 1.00 2.20 H new ATOM 1267 N LYS A 97 -11.954 4.267 3.223 1.00 0.52 N ATOM 1268 CA LYS A 97 -13.364 4.202 2.851 1.00 0.64 C ATOM 1269 C LYS A 97 -13.549 4.135 1.335 1.00 0.65 C ATOM 1270 O LYS A 97 -14.661 3.910 0.853 1.00 0.72 O ATOM 1271 CB LYS A 97 -14.149 5.385 3.422 1.00 0.78 C ATOM 1272 CG LYS A 97 -14.238 5.397 4.943 1.00 1.44 C ATOM 1273 CD LYS A 97 -14.838 4.114 5.520 1.00 1.95 C ATOM 1274 CE LYS A 97 -16.319 3.944 5.189 1.00 2.39 C ATOM 1275 NZ LYS A 97 -16.547 3.369 3.836 1.00 2.87 N ATOM 0 H LYS A 97 -11.609 5.204 3.430 1.00 0.52 H new ATOM 0 HA LYS A 97 -13.759 3.282 3.283 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -13.682 6.312 3.089 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -15.158 5.370 3.010 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -13.241 5.543 5.358 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -14.842 6.247 5.259 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -14.285 3.257 5.136 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -14.712 4.116 6.603 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -16.781 3.298 5.935 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -16.814 4.913 5.255 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -17.352 2.711 3.869 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -16.753 4.135 3.164 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -15.695 2.858 3.528 1.00 2.87 H new ATOM 1289 N TYR A 98 -12.473 4.339 0.584 1.00 0.63 N ATOM 1290 CA TYR A 98 -12.546 4.273 -0.870 1.00 0.68 C ATOM 1291 C TYR A 98 -12.560 2.816 -1.323 1.00 0.64 C ATOM 1292 O TYR A 98 -13.433 2.392 -2.080 1.00 0.73 O ATOM 1293 CB TYR A 98 -11.361 5.014 -1.500 1.00 0.71 C ATOM 1294 CG TYR A 98 -11.438 5.130 -3.008 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -10.820 4.196 -3.829 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -12.129 6.175 -3.608 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -10.888 4.300 -5.204 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -12.203 6.286 -4.983 1.00 2.50 C ATOM 1299 CZ TYR A 98 -11.581 5.346 -5.776 1.00 2.73 C ATOM 1300 OH TYR A 98 -11.652 5.450 -7.147 1.00 3.64 O ATOM 0 H TYR A 98 -11.546 4.550 0.955 1.00 0.63 H new ATOM 0 HA TYR A 98 -13.467 4.755 -1.198 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -11.302 6.015 -1.072 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -10.439 4.498 -1.232 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -10.277 3.375 -3.385 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -12.617 6.913 -2.989 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -10.401 3.566 -5.829 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -12.745 7.104 -5.434 1.00 2.50 H new ATOM 0 HH TYR A 98 -12.177 6.241 -7.388 1.00 3.64 H new ATOM 1310 N ALA A 99 -11.599 2.052 -0.831 1.00 0.56 N ATOM 1311 CA ALA A 99 -11.532 0.624 -1.097 1.00 0.56 C ATOM 1312 C ALA A 99 -11.911 -0.123 0.162 1.00 0.52 C ATOM 1313 O ALA A 99 -11.367 0.162 1.225 1.00 0.60 O ATOM 1314 CB ALA A 99 -10.132 0.236 -1.540 1.00 0.59 C ATOM 0 H ALA A 99 -10.846 2.402 -0.238 1.00 0.56 H new ATOM 0 HA ALA A 99 -12.224 0.366 -1.899 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -10.096 -0.836 -1.736 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -9.874 0.780 -2.449 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -9.419 0.485 -0.754 1.00 0.59 H new ATOM 1320 N ASP A 100 -12.827 -1.075 0.067 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.311 -1.723 1.274 1.00 0.53 C ATOM 1322 C ASP A 100 -12.268 -2.697 1.779 1.00 0.47 C ATOM 1323 O ASP A 100 -12.151 -3.833 1.309 1.00 0.51 O ATOM 1324 CB ASP A 100 -14.632 -2.447 1.024 1.00 0.66 C ATOM 1325 CG ASP A 100 -15.739 -1.510 0.587 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -15.867 -1.258 -0.632 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -16.494 -1.027 1.453 1.00 1.73 O ATOM 0 H ASP A 100 -13.239 -1.408 -0.805 1.00 0.54 H new ATOM 0 HA ASP A 100 -13.490 -0.957 2.028 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -14.484 -3.210 0.259 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -14.937 -2.963 1.934 1.00 0.66 H new ATOM 1332 N ALA A 101 -11.543 -2.215 2.763 1.00 0.42 N ATOM 1333 CA ALA A 101 -10.463 -2.929 3.411 1.00 0.39 C ATOM 1334 C ALA A 101 -9.957 -2.069 4.545 1.00 0.37 C ATOM 1335 O ALA A 101 -10.450 -0.963 4.759 1.00 0.50 O ATOM 1336 CB ALA A 101 -9.343 -3.228 2.422 1.00 0.43 C ATOM 0 H ALA A 101 -11.693 -1.283 3.148 1.00 0.42 H new ATOM 0 HA ALA A 101 -10.821 -3.885 3.793 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -8.542 -3.765 2.931 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -9.730 -3.840 1.608 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -8.954 -2.293 2.019 1.00 0.43 H new ATOM 1342 N GLU A 102 -8.983 -2.561 5.268 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.316 -1.750 6.252 1.00 0.31 C ATOM 1344 C GLU A 102 -6.962 -1.325 5.716 1.00 0.29 C ATOM 1345 O GLU A 102 -5.983 -2.070 5.806 1.00 0.36 O ATOM 1346 CB GLU A 102 -8.150 -2.509 7.557 1.00 0.41 C ATOM 1347 CG GLU A 102 -9.456 -2.916 8.211 1.00 0.76 C ATOM 1348 CD GLU A 102 -10.412 -1.754 8.392 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -10.005 -0.724 8.974 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -11.582 -1.879 7.978 1.00 1.77 O ATOM 0 H GLU A 102 -8.636 -3.517 5.193 1.00 0.31 H new ATOM 0 HA GLU A 102 -8.923 -0.867 6.453 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -7.556 -3.404 7.371 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -7.585 -1.891 8.254 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -9.936 -3.684 7.605 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -9.246 -3.362 9.183 1.00 0.76 H new ATOM 1357 N VAL A 103 -6.914 -0.144 5.128 1.00 0.27 N ATOM 1358 CA VAL A 103 -5.675 0.350 4.551 1.00 0.32 C ATOM 1359 C VAL A 103 -4.914 1.179 5.568 1.00 0.32 C ATOM 1360 O VAL A 103 -5.500 1.930 6.352 1.00 0.38 O ATOM 1361 CB VAL A 103 -5.890 1.180 3.254 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -6.383 2.584 3.549 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -4.607 1.244 2.444 1.00 1.05 C ATOM 0 H VAL A 103 -7.710 0.487 5.037 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.094 -0.530 4.274 1.00 0.32 H new ATOM 0 HB VAL A 103 -6.661 0.672 2.674 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -6.519 3.126 2.613 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -7.334 2.532 4.079 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -5.651 3.104 4.167 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -4.776 1.829 1.540 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -3.824 1.714 3.039 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -4.298 0.235 2.171 1.00 1.05 H new ATOM 1373 N ARG A 104 -3.612 1.004 5.575 1.00 0.33 N ATOM 1374 CA ARG A 104 -2.736 1.808 6.394 1.00 0.37 C ATOM 1375 C ARG A 104 -1.828 2.615 5.490 1.00 0.33 C ATOM 1376 O ARG A 104 -0.974 2.059 4.797 1.00 0.38 O ATOM 1377 CB ARG A 104 -1.909 0.924 7.328 1.00 0.46 C ATOM 1378 CG ARG A 104 -2.755 0.131 8.307 1.00 1.23 C ATOM 1379 CD ARG A 104 -1.902 -0.787 9.159 1.00 1.26 C ATOM 1380 NE ARG A 104 -2.709 -1.579 10.084 1.00 1.50 N ATOM 1381 CZ ARG A 104 -2.526 -2.877 10.308 1.00 1.82 C ATOM 1382 NH1 ARG A 104 -1.559 -3.534 9.683 1.00 1.78 N ATOM 1383 NH2 ARG A 104 -3.303 -3.523 11.166 1.00 2.71 N ATOM 0 H ARG A 104 -3.132 0.301 5.013 1.00 0.33 H new ATOM 0 HA ARG A 104 -3.332 2.480 7.012 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -1.313 0.234 6.731 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -1.211 1.549 7.885 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -3.308 0.816 8.950 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -3.491 -0.458 7.760 1.00 1.23 H new ATOM 0 HD2 ARG A 104 -1.330 -1.454 8.514 1.00 1.26 H new ATOM 0 HD3 ARG A 104 -1.182 -0.194 9.722 1.00 1.26 H new ATOM 0 HE ARG A 104 -3.459 -1.107 10.589 1.00 1.50 H new ATOM 0 HH11 ARG A 104 -0.951 -3.044 9.027 1.00 1.78 H new ATOM 0 HH12 ARG A 104 -1.423 -4.530 9.858 1.00 1.78 H new ATOM 0 HH21 ARG A 104 -4.045 -3.024 11.657 1.00 2.71 H new ATOM 0 HH22 ARG A 104 -3.159 -4.519 11.335 1.00 2.71 H new ATOM 1397 N VAL A 105 -2.031 3.916 5.461 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.230 4.763 4.607 1.00 0.31 C ATOM 1399 C VAL A 105 0.103 5.045 5.295 1.00 0.31 C ATOM 1400 O VAL A 105 0.146 5.340 6.494 1.00 0.41 O ATOM 1401 CB VAL A 105 -1.955 6.077 4.234 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -3.297 5.768 3.583 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -2.133 6.981 5.443 1.00 0.71 C ATOM 0 H VAL A 105 -2.736 4.404 6.013 1.00 0.31 H new ATOM 0 HA VAL A 105 -1.054 4.237 3.668 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.333 6.615 3.518 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -3.799 6.700 3.324 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -3.136 5.180 2.680 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -3.917 5.203 4.279 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -2.646 7.894 5.142 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -2.724 6.465 6.199 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -1.156 7.233 5.856 1.00 0.71 H new ATOM 1413 N ARG A 106 1.190 4.907 4.564 1.00 0.31 N ATOM 1414 CA ARG A 106 2.508 4.987 5.162 1.00 0.35 C ATOM 1415 C ARG A 106 3.434 5.872 4.341 1.00 0.29 C ATOM 1416 O ARG A 106 3.663 5.615 3.161 1.00 0.31 O ATOM 1417 CB ARG A 106 3.106 3.584 5.275 1.00 0.46 C ATOM 1418 CG ARG A 106 3.854 3.342 6.571 1.00 0.79 C ATOM 1419 CD ARG A 106 2.907 3.320 7.762 1.00 0.87 C ATOM 1420 NE ARG A 106 3.609 3.500 9.032 1.00 1.30 N ATOM 1421 CZ ARG A 106 3.667 2.581 9.996 1.00 1.70 C ATOM 1422 NH1 ARG A 106 3.185 1.363 9.797 1.00 1.88 N ATOM 1423 NH2 ARG A 106 4.241 2.872 11.156 1.00 2.63 N ATOM 0 H ARG A 106 1.188 4.739 3.558 1.00 0.31 H new ATOM 0 HA ARG A 106 2.406 5.428 6.153 1.00 0.35 H new ATOM 0 HB2 ARG A 106 2.306 2.849 5.185 1.00 0.46 H new ATOM 0 HB3 ARG A 106 3.785 3.420 4.438 1.00 0.46 H new ATOM 0 HG2 ARG A 106 4.390 2.394 6.512 1.00 0.79 H new ATOM 0 HG3 ARG A 106 4.602 4.123 6.713 1.00 0.79 H new ATOM 0 HD2 ARG A 106 2.162 4.108 7.646 1.00 0.87 H new ATOM 0 HD3 ARG A 106 2.369 2.372 7.778 1.00 0.87 H new ATOM 0 HE ARG A 106 4.086 4.388 9.191 1.00 1.30 H new ATOM 0 HH11 ARG A 106 2.765 1.121 8.900 1.00 1.88 H new ATOM 0 HH12 ARG A 106 3.234 0.667 10.541 1.00 1.88 H new ATOM 0 HH21 ARG A 106 4.638 3.799 11.310 1.00 2.63 H new ATOM 0 HH22 ARG A 106 4.285 2.169 11.894 1.00 2.63 H new ATOM 1437 N THR A 107 3.957 6.917 4.963 1.00 0.34 N ATOM 1438 CA THR A 107 4.954 7.752 4.318 1.00 0.36 C ATOM 1439 C THR A 107 6.335 7.118 4.482 1.00 0.40 C ATOM 1440 O THR A 107 6.721 6.715 5.582 1.00 0.56 O ATOM 1441 CB THR A 107 4.943 9.201 4.870 1.00 0.50 C ATOM 1442 OG1 THR A 107 5.935 10.002 4.208 1.00 0.56 O ATOM 1443 CG2 THR A 107 5.188 9.231 6.374 1.00 0.64 C ATOM 0 H THR A 107 3.708 7.205 5.909 1.00 0.34 H new ATOM 0 HA THR A 107 4.709 7.817 3.258 1.00 0.36 H new ATOM 0 HB THR A 107 3.953 9.613 4.674 1.00 0.50 H new ATOM 0 HG1 THR A 107 5.913 10.913 4.568 1.00 0.56 H new ATOM 0 HG21 THR A 107 5.173 10.263 6.725 1.00 0.64 H new ATOM 0 HG22 THR A 107 4.407 8.664 6.881 1.00 0.64 H new ATOM 0 HG23 THR A 107 6.159 8.787 6.593 1.00 0.64 H new ATOM 1451 N VAL A 108 7.062 6.987 3.385 1.00 0.44 N ATOM 1452 CA VAL A 108 8.367 6.342 3.414 1.00 0.60 C ATOM 1453 C VAL A 108 9.474 7.313 3.034 1.00 0.68 C ATOM 1454 O VAL A 108 9.238 8.318 2.362 1.00 0.86 O ATOM 1455 CB VAL A 108 8.421 5.118 2.477 1.00 0.71 C ATOM 1456 CG1 VAL A 108 7.482 4.029 2.968 1.00 1.34 C ATOM 1457 CG2 VAL A 108 8.083 5.511 1.049 1.00 0.97 C ATOM 0 H VAL A 108 6.773 7.317 2.464 1.00 0.44 H new ATOM 0 HA VAL A 108 8.523 6.006 4.439 1.00 0.60 H new ATOM 0 HB VAL A 108 9.439 4.728 2.488 1.00 0.71 H new ATOM 0 HG11 VAL A 108 7.533 3.173 2.295 1.00 1.34 H new ATOM 0 HG12 VAL A 108 7.776 3.720 3.971 1.00 1.34 H new ATOM 0 HG13 VAL A 108 6.462 4.412 2.991 1.00 1.34 H new ATOM 0 HG21 VAL A 108 8.128 4.630 0.409 1.00 0.97 H new ATOM 0 HG22 VAL A 108 7.078 5.933 1.016 1.00 0.97 H new ATOM 0 HG23 VAL A 108 8.800 6.253 0.696 1.00 0.97 H new ATOM 1467 N THR A 109 10.680 7.007 3.488 1.00 0.68 N ATOM 1468 CA THR A 109 11.843 7.831 3.215 1.00 0.78 C ATOM 1469 C THR A 109 12.960 7.007 2.575 1.00 0.71 C ATOM 1470 O THR A 109 13.351 7.249 1.435 1.00 0.88 O ATOM 1471 CB THR A 109 12.358 8.489 4.512 1.00 0.96 C ATOM 1472 OG1 THR A 109 12.412 7.515 5.567 1.00 1.22 O ATOM 1473 CG2 THR A 109 11.464 9.648 4.931 1.00 1.11 C ATOM 0 H THR A 109 10.878 6.182 4.054 1.00 0.68 H new ATOM 0 HA THR A 109 11.541 8.611 2.516 1.00 0.78 H new ATOM 0 HB THR A 109 13.358 8.878 4.321 1.00 0.96 H new ATOM 0 HG1 THR A 109 12.741 7.939 6.387 1.00 1.22 H new ATOM 0 HG21 THR A 109 11.851 10.093 5.848 1.00 1.11 H new ATOM 0 HG22 THR A 109 11.449 10.399 4.142 1.00 1.11 H new ATOM 0 HG23 THR A 109 10.452 9.283 5.104 1.00 1.11 H new ATOM 1481 N SER A 110 13.466 6.028 3.310 1.00 0.59 N ATOM 1482 CA SER A 110 14.543 5.184 2.816 1.00 0.54 C ATOM 1483 C SER A 110 14.065 3.744 2.613 1.00 0.49 C ATOM 1484 O SER A 110 13.107 3.321 3.262 1.00 0.51 O ATOM 1485 CB SER A 110 15.720 5.224 3.795 1.00 0.62 C ATOM 1486 OG SER A 110 16.106 6.561 4.067 1.00 0.93 O ATOM 0 H SER A 110 13.148 5.798 4.251 1.00 0.59 H new ATOM 0 HA SER A 110 14.868 5.566 1.848 1.00 0.54 H new ATOM 0 HB2 SER A 110 15.443 4.725 4.724 1.00 0.62 H new ATOM 0 HB3 SER A 110 16.564 4.675 3.378 1.00 0.62 H new ATOM 0 HG SER A 110 16.858 6.563 4.696 1.00 0.93 H new ATOM 1492 N PRO A 111 14.703 2.989 1.695 1.00 0.49 N ATOM 1493 CA PRO A 111 14.340 1.592 1.400 1.00 0.49 C ATOM 1494 C PRO A 111 14.059 0.748 2.650 1.00 0.45 C ATOM 1495 O PRO A 111 13.003 0.121 2.758 1.00 0.50 O ATOM 1496 CB PRO A 111 15.576 1.070 0.674 1.00 0.58 C ATOM 1497 CG PRO A 111 16.121 2.260 -0.034 1.00 0.60 C ATOM 1498 CD PRO A 111 15.822 3.449 0.842 1.00 0.54 C ATOM 0 HA PRO A 111 13.414 1.533 0.828 1.00 0.49 H new ATOM 0 HB2 PRO A 111 16.303 0.657 1.374 1.00 0.58 H new ATOM 0 HB3 PRO A 111 15.319 0.275 -0.026 1.00 0.58 H new ATOM 0 HG2 PRO A 111 17.194 2.158 -0.197 1.00 0.60 H new ATOM 0 HG3 PRO A 111 15.659 2.374 -1.015 1.00 0.60 H new ATOM 0 HD2 PRO A 111 16.689 3.734 1.439 1.00 0.54 H new ATOM 0 HD3 PRO A 111 15.542 4.321 0.251 1.00 0.54 H new ATOM 1506 N ASP A 112 14.997 0.760 3.599 1.00 0.47 N ATOM 1507 CA ASP A 112 14.882 -0.052 4.818 1.00 0.49 C ATOM 1508 C ASP A 112 13.640 0.307 5.622 1.00 0.43 C ATOM 1509 O ASP A 112 13.046 -0.551 6.279 1.00 0.45 O ATOM 1510 CB ASP A 112 16.117 0.110 5.709 1.00 0.60 C ATOM 1511 CG ASP A 112 17.337 -0.591 5.155 1.00 1.16 C ATOM 1512 OD1 ASP A 112 18.175 0.080 4.516 1.00 1.71 O ATOM 1513 OD2 ASP A 112 17.466 -1.816 5.356 1.00 2.04 O ATOM 0 H ASP A 112 15.846 1.323 3.549 1.00 0.47 H new ATOM 0 HA ASP A 112 14.802 -1.089 4.493 1.00 0.49 H new ATOM 0 HB2 ASP A 112 16.336 1.171 5.828 1.00 0.60 H new ATOM 0 HB3 ASP A 112 15.897 -0.283 6.701 1.00 0.60 H new ATOM 1518 N GLU A 113 13.248 1.570 5.572 1.00 0.43 N ATOM 1519 CA GLU A 113 12.076 2.036 6.299 1.00 0.45 C ATOM 1520 C GLU A 113 10.822 1.386 5.736 1.00 0.37 C ATOM 1521 O GLU A 113 9.972 0.903 6.481 1.00 0.40 O ATOM 1522 CB GLU A 113 11.969 3.560 6.218 1.00 0.57 C ATOM 1523 CG GLU A 113 13.204 4.283 6.733 1.00 0.78 C ATOM 1524 CD GLU A 113 13.455 4.043 8.209 1.00 1.46 C ATOM 1525 OE1 GLU A 113 13.248 4.977 9.009 1.00 2.21 O ATOM 1526 OE2 GLU A 113 13.864 2.922 8.575 1.00 2.13 O ATOM 0 H GLU A 113 13.725 2.293 5.034 1.00 0.43 H new ATOM 0 HA GLU A 113 12.178 1.754 7.347 1.00 0.45 H new ATOM 0 HB2 GLU A 113 11.794 3.849 5.182 1.00 0.57 H new ATOM 0 HB3 GLU A 113 11.101 3.886 6.791 1.00 0.57 H new ATOM 0 HG2 GLU A 113 14.074 3.956 6.164 1.00 0.78 H new ATOM 0 HG3 GLU A 113 13.092 5.353 6.558 1.00 0.78 H new ATOM 1533 N ALA A 114 10.735 1.348 4.411 1.00 0.37 N ATOM 1534 CA ALA A 114 9.599 0.741 3.730 1.00 0.39 C ATOM 1535 C ALA A 114 9.505 -0.745 4.055 1.00 0.36 C ATOM 1536 O ALA A 114 8.418 -1.272 4.290 1.00 0.38 O ATOM 1537 CB ALA A 114 9.713 0.947 2.227 1.00 0.48 C ATOM 0 H ALA A 114 11.442 1.733 3.785 1.00 0.37 H new ATOM 0 HA ALA A 114 8.689 1.226 4.083 1.00 0.39 H new ATOM 0 HB1 ALA A 114 8.858 0.488 1.731 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.731 2.014 2.006 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.632 0.486 1.865 1.00 0.48 H new ATOM 1543 N LYS A 115 10.656 -1.409 4.089 1.00 0.38 N ATOM 1544 CA LYS A 115 10.711 -2.838 4.379 1.00 0.45 C ATOM 1545 C LYS A 115 10.226 -3.114 5.799 1.00 0.39 C ATOM 1546 O LYS A 115 9.594 -4.138 6.063 1.00 0.44 O ATOM 1547 CB LYS A 115 12.136 -3.370 4.196 1.00 0.57 C ATOM 1548 CG LYS A 115 12.727 -3.060 2.829 1.00 0.75 C ATOM 1549 CD LYS A 115 14.138 -3.606 2.682 1.00 0.77 C ATOM 1550 CE LYS A 115 14.146 -5.114 2.488 1.00 1.22 C ATOM 1551 NZ LYS A 115 15.513 -5.627 2.212 1.00 1.53 N ATOM 0 H LYS A 115 11.565 -0.979 3.919 1.00 0.38 H new ATOM 0 HA LYS A 115 10.054 -3.354 3.679 1.00 0.45 H new ATOM 0 HB2 LYS A 115 12.777 -2.942 4.966 1.00 0.57 H new ATOM 0 HB3 LYS A 115 12.135 -4.450 4.346 1.00 0.57 H new ATOM 0 HG2 LYS A 115 12.091 -3.486 2.054 1.00 0.75 H new ATOM 0 HG3 LYS A 115 12.738 -1.981 2.675 1.00 0.75 H new ATOM 0 HD2 LYS A 115 14.625 -3.128 1.832 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.720 -3.351 3.568 1.00 0.77 H new ATOM 0 HE2 LYS A 115 13.750 -5.598 3.381 1.00 1.22 H new ATOM 0 HE3 LYS A 115 13.485 -5.378 1.662 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 15.449 -6.503 1.656 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 16.049 -4.915 1.676 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 15.999 -5.822 3.111 1.00 1.53 H new ATOM 1565 N ARG A 116 10.511 -2.183 6.703 1.00 0.36 N ATOM 1566 CA ARG A 116 10.071 -2.299 8.086 1.00 0.39 C ATOM 1567 C ARG A 116 8.550 -2.251 8.161 1.00 0.35 C ATOM 1568 O ARG A 116 7.925 -3.013 8.901 1.00 0.42 O ATOM 1569 CB ARG A 116 10.650 -1.166 8.933 1.00 0.50 C ATOM 1570 CG ARG A 116 10.438 -1.358 10.426 1.00 1.14 C ATOM 1571 CD ARG A 116 10.332 -0.030 11.157 1.00 1.65 C ATOM 1572 NE ARG A 116 11.447 0.868 10.860 1.00 2.40 N ATOM 1573 CZ ARG A 116 11.673 2.008 11.513 1.00 3.29 C ATOM 1574 NH1 ARG A 116 10.885 2.366 12.522 1.00 3.61 N ATOM 1575 NH2 ARG A 116 12.683 2.792 11.159 1.00 4.21 N ATOM 0 H ARG A 116 11.046 -1.338 6.501 1.00 0.36 H new ATOM 0 HA ARG A 116 10.426 -3.254 8.474 1.00 0.39 H new ATOM 0 HB2 ARG A 116 11.718 -1.083 8.733 1.00 0.50 H new ATOM 0 HB3 ARG A 116 10.194 -0.224 8.627 1.00 0.50 H new ATOM 0 HG2 ARG A 116 9.530 -1.938 10.592 1.00 1.14 H new ATOM 0 HG3 ARG A 116 11.265 -1.935 10.839 1.00 1.14 H new ATOM 0 HD2 ARG A 116 9.396 0.457 10.884 1.00 1.65 H new ATOM 0 HD3 ARG A 116 10.294 -0.213 12.231 1.00 1.65 H new ATOM 0 HE ARG A 116 12.088 0.607 10.111 1.00 2.40 H new ATOM 0 HH11 ARG A 116 10.106 1.768 12.798 1.00 3.61 H new ATOM 0 HH12 ARG A 116 11.059 3.239 13.021 1.00 3.61 H new ATOM 0 HH21 ARG A 116 13.290 2.523 10.385 1.00 4.21 H new ATOM 0 HH22 ARG A 116 12.852 3.663 11.661 1.00 4.21 H new ATOM 1589 N TRP A 117 7.960 -1.349 7.384 1.00 0.31 N ATOM 1590 CA TRP A 117 6.515 -1.177 7.375 1.00 0.32 C ATOM 1591 C TRP A 117 5.832 -2.386 6.752 1.00 0.30 C ATOM 1592 O TRP A 117 4.743 -2.774 7.172 1.00 0.36 O ATOM 1593 CB TRP A 117 6.117 0.096 6.625 1.00 0.36 C ATOM 1594 CG TRP A 117 6.792 1.340 7.127 1.00 0.40 C ATOM 1595 CD1 TRP A 117 7.268 2.364 6.362 1.00 0.47 C ATOM 1596 CD2 TRP A 117 7.076 1.695 8.493 1.00 0.56 C ATOM 1597 NE1 TRP A 117 7.823 3.334 7.159 1.00 0.53 N ATOM 1598 CE2 TRP A 117 7.719 2.947 8.469 1.00 0.60 C ATOM 1599 CE3 TRP A 117 6.847 1.080 9.731 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 8.135 3.592 9.632 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 7.261 1.723 10.881 1.00 0.98 C ATOM 1602 CH2 TRP A 117 7.899 2.967 10.825 1.00 0.99 C ATOM 0 H TRP A 117 8.463 -0.726 6.752 1.00 0.31 H new ATOM 0 HA TRP A 117 6.186 -1.084 8.410 1.00 0.32 H new ATOM 0 HB2 TRP A 117 6.351 -0.030 5.568 1.00 0.36 H new ATOM 0 HB3 TRP A 117 5.037 0.226 6.699 1.00 0.36 H new ATOM 0 HD1 TRP A 117 7.216 2.406 5.284 1.00 0.47 H new ATOM 0 HE1 TRP A 117 8.245 4.202 6.829 1.00 0.53 H new ATOM 0 HE3 TRP A 117 6.355 0.120 9.785 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 8.627 4.553 9.592 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 7.089 1.257 11.840 1.00 0.98 H new ATOM 0 HH2 TRP A 117 8.211 3.443 11.743 1.00 0.99 H new ATOM 1613 N ILE A 118 6.476 -2.979 5.754 1.00 0.29 N ATOM 1614 CA ILE A 118 5.971 -4.201 5.143 1.00 0.32 C ATOM 1615 C ILE A 118 5.958 -5.331 6.175 1.00 0.36 C ATOM 1616 O ILE A 118 5.010 -6.112 6.244 1.00 0.40 O ATOM 1617 CB ILE A 118 6.812 -4.611 3.912 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.761 -3.503 2.853 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.308 -5.926 3.330 1.00 0.51 C ATOM 1620 CD1 ILE A 118 7.611 -3.779 1.632 1.00 0.57 C ATOM 0 H ILE A 118 7.347 -2.634 5.352 1.00 0.29 H new ATOM 0 HA ILE A 118 4.954 -4.011 4.800 1.00 0.32 H new ATOM 0 HB ILE A 118 7.846 -4.753 4.227 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.727 -3.362 2.539 1.00 0.44 H new ATOM 0 HG13 ILE A 118 7.087 -2.567 3.306 1.00 0.44 H new ATOM 0 HG21 ILE A 118 6.913 -6.197 2.465 1.00 0.51 H new ATOM 0 HG22 ILE A 118 6.382 -6.710 4.084 1.00 0.51 H new ATOM 0 HG23 ILE A 118 5.268 -5.814 3.024 1.00 0.51 H new ATOM 0 HD11 ILE A 118 7.521 -2.949 0.931 1.00 0.57 H new ATOM 0 HD12 ILE A 118 8.653 -3.889 1.932 1.00 0.57 H new ATOM 0 HD13 ILE A 118 7.272 -4.697 1.153 1.00 0.57 H new ATOM 1632 N LYS A 119 7.003 -5.387 6.997 1.00 0.41 N ATOM 1633 CA LYS A 119 7.074 -6.357 8.089 1.00 0.53 C ATOM 1634 C LYS A 119 5.966 -6.104 9.106 1.00 0.55 C ATOM 1635 O LYS A 119 5.327 -7.036 9.580 1.00 0.67 O ATOM 1636 CB LYS A 119 8.438 -6.290 8.783 1.00 0.63 C ATOM 1637 CG LYS A 119 9.576 -6.859 7.954 1.00 1.09 C ATOM 1638 CD LYS A 119 9.585 -8.383 7.965 1.00 1.34 C ATOM 1639 CE LYS A 119 10.451 -8.942 9.090 1.00 2.05 C ATOM 1640 NZ LYS A 119 9.884 -8.686 10.443 1.00 2.66 N ATOM 0 H LYS A 119 7.814 -4.772 6.928 1.00 0.41 H new ATOM 0 HA LYS A 119 6.943 -7.352 7.664 1.00 0.53 H new ATOM 0 HB2 LYS A 119 8.661 -5.251 9.025 1.00 0.63 H new ATOM 0 HB3 LYS A 119 8.382 -6.832 9.727 1.00 0.63 H new ATOM 0 HG2 LYS A 119 9.489 -6.505 6.927 1.00 1.09 H new ATOM 0 HG3 LYS A 119 10.526 -6.488 8.339 1.00 1.09 H new ATOM 0 HD2 LYS A 119 8.565 -8.751 8.076 1.00 1.34 H new ATOM 0 HD3 LYS A 119 9.954 -8.750 7.007 1.00 1.34 H new ATOM 0 HE2 LYS A 119 10.570 -10.016 8.950 1.00 2.05 H new ATOM 0 HE3 LYS A 119 11.446 -8.500 9.029 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 10.459 -9.174 11.159 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 9.889 -7.664 10.634 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 8.907 -9.041 10.483 1.00 2.66 H new ATOM 1654 N GLU A 120 5.729 -4.836 9.416 1.00 0.51 N ATOM 1655 CA GLU A 120 4.711 -4.460 10.394 1.00 0.63 C ATOM 1656 C GLU A 120 3.309 -4.722 9.843 1.00 0.60 C ATOM 1657 O GLU A 120 2.334 -4.801 10.588 1.00 0.79 O ATOM 1658 CB GLU A 120 4.867 -2.979 10.763 1.00 0.71 C ATOM 1659 CG GLU A 120 4.010 -2.542 11.941 1.00 1.43 C ATOM 1660 CD GLU A 120 4.168 -1.073 12.266 1.00 1.83 C ATOM 1661 OE1 GLU A 120 3.285 -0.277 11.886 1.00 2.48 O ATOM 1662 OE2 GLU A 120 5.168 -0.706 12.917 1.00 2.33 O ATOM 0 H GLU A 120 6.228 -4.047 9.004 1.00 0.51 H new ATOM 0 HA GLU A 120 4.845 -5.068 11.289 1.00 0.63 H new ATOM 0 HB2 GLU A 120 5.913 -2.781 10.995 1.00 0.71 H new ATOM 0 HB3 GLU A 120 4.612 -2.370 9.896 1.00 0.71 H new ATOM 0 HG2 GLU A 120 2.963 -2.750 11.720 1.00 1.43 H new ATOM 0 HG3 GLU A 120 4.275 -3.134 12.817 1.00 1.43 H new ATOM 1669 N PHE A 121 3.225 -4.837 8.527 1.00 0.44 N ATOM 1670 CA PHE A 121 1.962 -5.061 7.842 1.00 0.43 C ATOM 1671 C PHE A 121 1.675 -6.552 7.660 1.00 0.46 C ATOM 1672 O PHE A 121 0.594 -7.031 8.002 1.00 0.54 O ATOM 1673 CB PHE A 121 2.001 -4.342 6.488 1.00 0.38 C ATOM 1674 CG PHE A 121 0.841 -4.634 5.586 1.00 0.43 C ATOM 1675 CD1 PHE A 121 -0.418 -4.135 5.869 1.00 1.37 C ATOM 1676 CD2 PHE A 121 1.017 -5.398 4.445 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -1.481 -4.396 5.030 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -0.041 -5.663 3.602 1.00 1.23 C ATOM 1679 CZ PHE A 121 -1.293 -5.161 3.896 1.00 0.67 C ATOM 0 H PHE A 121 4.030 -4.778 7.904 1.00 0.44 H new ATOM 0 HA PHE A 121 1.153 -4.657 8.450 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.044 -3.267 6.665 1.00 0.38 H new ATOM 0 HB3 PHE A 121 2.921 -4.617 5.973 1.00 0.38 H new ATOM 0 HD1 PHE A 121 -0.570 -3.536 6.755 1.00 1.37 H new ATOM 0 HD2 PHE A 121 1.996 -5.791 4.212 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -2.460 -4.002 5.260 1.00 1.43 H new ATOM 0 HE2 PHE A 121 0.109 -6.261 2.715 1.00 1.23 H new ATOM 0 HZ PHE A 121 -2.125 -5.367 3.239 1.00 0.67 H new ATOM 1689 N SER A 122 2.643 -7.283 7.128 1.00 0.44 N ATOM 1690 CA SER A 122 2.445 -8.690 6.810 1.00 0.50 C ATOM 1691 C SER A 122 2.682 -9.580 8.027 1.00 0.58 C ATOM 1692 O SER A 122 2.214 -10.720 8.075 1.00 0.80 O ATOM 1693 CB SER A 122 3.389 -9.101 5.678 1.00 0.57 C ATOM 1694 OG SER A 122 3.281 -8.211 4.581 1.00 1.31 O ATOM 0 H SER A 122 3.573 -6.926 6.907 1.00 0.44 H new ATOM 0 HA SER A 122 1.410 -8.821 6.495 1.00 0.50 H new ATOM 0 HB2 SER A 122 4.416 -9.113 6.042 1.00 0.57 H new ATOM 0 HB3 SER A 122 3.154 -10.115 5.353 1.00 0.57 H new ATOM 0 HG SER A 122 3.767 -7.384 4.781 1.00 1.31 H new ATOM 1700 N GLU A 123 3.402 -9.056 9.008 1.00 0.63 N ATOM 1701 CA GLU A 123 3.800 -9.840 10.165 1.00 0.81 C ATOM 1702 C GLU A 123 3.435 -9.110 11.459 1.00 0.92 C ATOM 1703 O GLU A 123 4.226 -9.043 12.401 1.00 1.44 O ATOM 1704 CB GLU A 123 5.307 -10.104 10.097 1.00 1.25 C ATOM 1705 CG GLU A 123 5.822 -11.127 11.093 1.00 1.57 C ATOM 1706 CD GLU A 123 7.323 -11.266 11.026 1.00 1.91 C ATOM 1707 OE1 GLU A 123 8.025 -10.295 11.373 1.00 2.53 O ATOM 1708 OE2 GLU A 123 7.812 -12.341 10.616 1.00 2.37 O ATOM 0 H GLU A 123 3.723 -8.088 9.024 1.00 0.63 H new ATOM 0 HA GLU A 123 3.268 -10.792 10.159 1.00 0.81 H new ATOM 0 HB2 GLU A 123 5.557 -10.440 9.091 1.00 1.25 H new ATOM 0 HB3 GLU A 123 5.834 -9.164 10.259 1.00 1.25 H new ATOM 0 HG2 GLU A 123 5.529 -10.833 12.101 1.00 1.57 H new ATOM 0 HG3 GLU A 123 5.358 -12.093 10.895 1.00 1.57 H new