USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 25 ASN : amide:sc= -0.64 K(o=0.89,f=-0.34!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -168:sc= 1.53 (180deg=0.92) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.238 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0018 (180deg=-0.302) USER MOD Single : A 1 MET N :NH3+ 139:sc= 1.37 (180deg=1.12) USER MOD Single : A 2 GLN : amide:sc= -0.717 X(o=-0.72,f=-0.97) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= -0.0171 (180deg=-0.219) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 0.607 (180deg=-0.259!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -86:sc= 0.388 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0559 USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 2.22 (180deg=2.13) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 41 GLN : amide:sc= 0.477 K(o=0.48,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.0416 (180deg=-0.494) USER MOD Single : A 49 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.6!) USER MOD Single : A 55 THR OG1 : rot -24:sc= 1.24 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.246 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00347) USER MOD Single : A 65 SER OG : rot 110:sc= 0.914 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.124 -4.808 -4.092 1.00 0.78 N ATOM 2 CA MET A 1 12.943 -5.509 -2.801 1.00 0.70 C ATOM 3 C MET A 1 11.503 -5.873 -2.677 1.00 0.62 C ATOM 4 O MET A 1 10.725 -5.530 -3.566 1.00 0.68 O ATOM 5 CB MET A 1 13.366 -4.543 -1.680 1.00 0.75 C ATOM 6 CG MET A 1 12.517 -3.292 -1.450 1.00 0.79 C ATOM 7 SD MET A 1 13.502 -2.206 -0.376 1.00 1.10 S ATOM 8 CE MET A 1 12.268 -0.905 -0.092 1.00 0.84 C ATOM 0 H1 MET A 1 13.771 -4.004 -3.963 1.00 0.78 H new ATOM 0 H2 MET A 1 13.524 -5.466 -4.791 1.00 0.78 H new ATOM 0 H3 MET A 1 12.204 -4.461 -4.431 1.00 0.78 H new ATOM 0 HA MET A 1 13.545 -6.416 -2.737 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.391 -5.105 -0.747 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.387 -4.220 -1.885 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.284 -2.800 -2.394 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.567 -3.547 -0.981 1.00 0.79 H new ATOM 0 HE1 MET A 1 12.755 -0.029 0.337 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.801 -0.633 -1.039 1.00 0.84 H new ATOM 0 HE3 MET A 1 11.506 -1.270 0.597 1.00 0.84 H new ATOM 20 N GLN A 2 11.101 -6.540 -1.581 1.00 0.59 N ATOM 21 CA GLN A 2 9.744 -6.979 -1.470 1.00 0.56 C ATOM 22 C GLN A 2 9.080 -6.413 -0.262 1.00 0.50 C ATOM 23 O GLN A 2 9.727 -6.163 0.753 1.00 0.60 O ATOM 24 CB GLN A 2 9.558 -8.505 -1.446 1.00 0.71 C ATOM 25 CG GLN A 2 10.380 -9.234 -0.381 1.00 1.15 C ATOM 26 CD GLN A 2 11.821 -9.359 -0.856 1.00 1.30 C ATOM 27 OE1 GLN A 2 12.730 -8.813 -0.235 1.00 1.87 O ATOM 28 NE2 GLN A 2 12.104 -10.084 -1.970 1.00 1.72 N ATOM 0 H GLN A 2 11.699 -6.772 -0.788 1.00 0.59 H new ATOM 0 HA GLN A 2 9.278 -6.606 -2.382 1.00 0.56 H new ATOM 0 HB2 GLN A 2 8.503 -8.726 -1.285 1.00 0.71 H new ATOM 0 HB3 GLN A 2 9.822 -8.905 -2.425 1.00 0.71 H new ATOM 0 HG2 GLN A 2 10.342 -8.688 0.561 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.960 -10.222 -0.194 1.00 1.15 H new ATOM 0 HE21 GLN A 2 11.352 -10.538 -2.488 1.00 1.72 H new ATOM 0 HE22 GLN A 2 13.069 -10.174 -2.289 1.00 1.72 H new ATOM 37 N ILE A 3 7.775 -6.092 -0.325 1.00 0.44 N ATOM 38 CA ILE A 3 7.034 -5.639 0.811 1.00 0.42 C ATOM 39 C ILE A 3 5.782 -6.434 0.954 1.00 0.40 C ATOM 40 O ILE A 3 5.509 -7.263 0.088 1.00 0.50 O ATOM 41 CB ILE A 3 6.680 -4.181 0.840 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.944 -3.761 -0.444 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.895 -3.279 1.119 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.150 -2.457 -0.389 1.00 0.72 C ATOM 0 H ILE A 3 7.224 -6.148 -1.182 1.00 0.44 H new ATOM 0 HA ILE A 3 7.719 -5.788 1.645 1.00 0.42 H new ATOM 0 HB ILE A 3 5.998 -4.041 1.679 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.679 -3.677 -1.245 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.260 -4.563 -0.721 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.579 -2.236 1.128 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.325 -3.537 2.087 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.643 -3.425 0.340 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.680 -2.276 -1.356 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.381 -2.531 0.380 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.822 -1.632 -0.152 1.00 0.72 H new ATOM 56 N PHE A 4 5.086 -6.426 2.105 1.00 0.37 N ATOM 57 CA PHE A 4 3.892 -7.170 2.359 1.00 0.38 C ATOM 58 C PHE A 4 2.755 -6.215 2.477 1.00 0.39 C ATOM 59 O PHE A 4 2.665 -5.315 3.310 1.00 0.60 O ATOM 60 CB PHE A 4 3.930 -8.092 3.590 1.00 0.45 C ATOM 61 CG PHE A 4 5.106 -9.008 3.588 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.363 -9.821 2.510 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.058 -8.945 4.577 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.489 -10.605 2.409 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.154 -9.773 4.504 1.00 1.40 C ATOM 66 CZ PHE A 4 7.456 -10.505 3.381 1.00 0.85 C ATOM 0 H PHE A 4 5.375 -5.866 2.907 1.00 0.37 H new ATOM 0 HA PHE A 4 3.776 -7.848 1.513 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.951 -7.483 4.494 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.015 -8.683 3.624 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.646 -9.846 1.703 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.947 -8.255 5.400 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.611 -11.287 1.581 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.803 -9.851 5.364 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.417 -10.984 3.266 1.00 0.85 H new ATOM 76 N VAL A 5 1.811 -6.295 1.521 1.00 0.35 N ATOM 77 CA VAL A 5 0.556 -5.614 1.602 1.00 0.35 C ATOM 78 C VAL A 5 -0.450 -6.650 1.965 1.00 0.35 C ATOM 79 O VAL A 5 -0.559 -7.653 1.260 1.00 0.46 O ATOM 80 CB VAL A 5 0.114 -4.991 0.312 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.296 -4.387 0.414 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.200 -4.020 -0.183 1.00 0.56 C ATOM 0 H VAL A 5 1.923 -6.847 0.671 1.00 0.35 H new ATOM 0 HA VAL A 5 0.656 -4.803 2.324 1.00 0.35 H new ATOM 0 HB VAL A 5 0.008 -5.760 -0.453 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.574 -3.947 -0.544 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.009 -5.169 0.674 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.307 -3.616 1.184 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.881 -3.565 -1.121 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.359 -3.241 0.562 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.131 -4.565 -0.342 1.00 0.56 H new ATOM 92 N LYS A 6 -1.197 -6.368 3.048 1.00 0.36 N ATOM 93 CA LYS A 6 -2.301 -7.146 3.519 1.00 0.39 C ATOM 94 C LYS A 6 -3.586 -6.445 3.241 1.00 0.46 C ATOM 95 O LYS A 6 -3.873 -5.367 3.760 1.00 0.53 O ATOM 96 CB LYS A 6 -2.202 -7.428 5.028 1.00 0.54 C ATOM 97 CG LYS A 6 -1.024 -8.254 5.547 1.00 1.22 C ATOM 98 CD LYS A 6 -0.896 -8.027 7.055 1.00 1.37 C ATOM 99 CE LYS A 6 -1.979 -8.663 7.928 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.943 -10.133 7.756 1.00 2.09 N ATOM 0 H LYS A 6 -1.019 -5.548 3.629 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.271 -8.097 2.987 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -2.184 -6.467 5.543 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -3.119 -7.934 5.330 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.181 -9.312 5.336 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.104 -7.961 5.041 1.00 1.22 H new ATOM 0 HD2 LYS A 6 0.072 -8.409 7.378 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.893 -6.953 7.241 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -1.818 -8.403 8.974 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.960 -8.276 7.651 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -2.501 -10.584 8.508 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -2.343 -10.384 6.830 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.959 -10.465 7.809 1.00 2.09 H new ATOM 114 N THR A 7 -4.554 -7.116 2.591 1.00 0.58 N ATOM 115 CA THR A 7 -5.906 -6.737 2.318 1.00 0.78 C ATOM 116 C THR A 7 -6.821 -6.961 3.471 1.00 0.94 C ATOM 117 O THR A 7 -6.438 -7.509 4.505 1.00 0.99 O ATOM 118 CB THR A 7 -6.438 -7.513 1.149 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.760 -8.878 1.371 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.499 -7.414 -0.065 1.00 0.92 C ATOM 0 H THR A 7 -4.359 -8.042 2.210 1.00 0.58 H new ATOM 0 HA THR A 7 -5.879 -5.668 2.105 1.00 0.78 H new ATOM 0 HB THR A 7 -7.393 -7.022 0.960 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.096 -9.274 0.540 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.914 -7.987 -0.894 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.396 -6.370 -0.361 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.520 -7.814 0.199 1.00 0.92 H new ATOM 128 N LEU A 8 -8.070 -6.466 3.413 1.00 1.17 N ATOM 129 CA LEU A 8 -9.080 -6.700 4.398 1.00 1.39 C ATOM 130 C LEU A 8 -9.546 -8.113 4.467 1.00 1.44 C ATOM 131 O LEU A 8 -9.886 -8.586 5.551 1.00 1.60 O ATOM 132 CB LEU A 8 -10.329 -5.813 4.253 1.00 1.66 C ATOM 133 CG LEU A 8 -10.001 -4.342 4.563 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.282 -3.496 4.468 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.323 -4.002 5.901 1.00 2.43 C ATOM 0 H LEU A 8 -8.390 -5.876 2.645 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.557 -6.439 5.318 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.722 -5.896 3.240 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -11.109 -6.165 4.928 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.249 -4.112 3.809 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.047 -2.455 4.688 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.693 -3.571 3.461 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.014 -3.863 5.187 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.161 -2.926 5.964 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.962 -4.321 6.724 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.365 -4.517 5.965 1.00 2.43 H new ATOM 147 N THR A 9 -9.534 -8.864 3.351 1.00 1.41 N ATOM 148 CA THR A 9 -10.073 -10.188 3.332 1.00 1.51 C ATOM 149 C THR A 9 -9.002 -11.116 3.793 1.00 1.37 C ATOM 150 O THR A 9 -9.319 -12.245 4.164 1.00 1.62 O ATOM 151 CB THR A 9 -10.710 -10.609 2.040 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.934 -10.263 0.902 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.086 -9.937 1.902 1.00 2.08 C ATOM 0 H THR A 9 -9.150 -8.553 2.459 1.00 1.41 H new ATOM 0 HA THR A 9 -10.923 -10.217 4.014 1.00 1.51 H new ATOM 0 HB THR A 9 -10.796 -11.695 2.074 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.394 -10.561 0.090 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.548 -10.243 0.963 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.722 -10.237 2.735 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.964 -8.854 1.910 1.00 2.08 H new ATOM 161 N GLY A 10 -7.778 -10.604 4.014 1.00 1.18 N ATOM 162 CA GLY A 10 -6.732 -11.350 4.640 1.00 1.22 C ATOM 163 C GLY A 10 -5.641 -11.799 3.731 1.00 0.99 C ATOM 164 O GLY A 10 -4.740 -12.513 4.169 1.00 1.31 O ATOM 0 H GLY A 10 -7.510 -9.655 3.753 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.296 -10.740 5.431 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.169 -12.227 5.118 1.00 1.22 H new ATOM 168 N LYS A 11 -5.703 -11.453 2.433 1.00 0.73 N ATOM 169 CA LYS A 11 -4.722 -11.872 1.481 1.00 0.60 C ATOM 170 C LYS A 11 -3.472 -11.065 1.557 1.00 0.51 C ATOM 171 O LYS A 11 -3.557 -9.857 1.341 1.00 0.63 O ATOM 172 CB LYS A 11 -5.169 -11.803 0.011 1.00 0.75 C ATOM 173 CG LYS A 11 -4.139 -12.412 -0.942 1.00 0.87 C ATOM 174 CD LYS A 11 -4.787 -12.612 -2.313 1.00 1.04 C ATOM 175 CE LYS A 11 -3.866 -12.654 -3.535 1.00 1.30 C ATOM 176 NZ LYS A 11 -4.538 -12.810 -4.845 1.00 1.40 N ATOM 0 H LYS A 11 -6.444 -10.874 2.039 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.559 -12.912 1.764 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.118 -12.327 -0.102 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.344 -10.763 -0.264 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.272 -11.757 -1.027 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.782 -13.365 -0.552 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.350 -13.545 -2.285 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.508 -11.809 -2.464 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.280 -11.735 -3.556 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.163 -13.478 -3.408 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -3.882 -12.542 -5.606 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -4.828 -13.801 -4.971 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.377 -12.197 -4.880 1.00 1.40 H new ATOM 190 N THR A 12 -2.313 -11.629 1.938 1.00 0.49 N ATOM 191 CA THR A 12 -1.074 -10.923 1.813 1.00 0.48 C ATOM 192 C THR A 12 -0.579 -10.982 0.408 1.00 0.52 C ATOM 193 O THR A 12 -0.601 -12.009 -0.267 1.00 0.72 O ATOM 194 CB THR A 12 0.040 -11.344 2.725 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.419 -11.714 4.017 1.00 0.77 O ATOM 196 CG2 THR A 12 1.033 -10.197 2.975 1.00 0.78 C ATOM 0 H THR A 12 -2.232 -12.567 2.330 1.00 0.49 H new ATOM 0 HA THR A 12 -1.334 -9.910 2.121 1.00 0.48 H new ATOM 0 HB THR A 12 0.503 -12.188 2.213 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.344 -11.981 4.571 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.825 -10.540 3.640 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.467 -9.879 2.027 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.511 -9.358 3.435 1.00 0.78 H new ATOM 204 N ILE A 13 -0.194 -9.856 -0.219 1.00 0.48 N ATOM 205 CA ILE A 13 0.405 -9.641 -1.500 1.00 0.55 C ATOM 206 C ILE A 13 1.812 -9.225 -1.246 1.00 0.51 C ATOM 207 O ILE A 13 2.145 -8.191 -0.669 1.00 0.56 O ATOM 208 CB ILE A 13 -0.325 -8.631 -2.336 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.860 -8.700 -2.268 1.00 1.15 C ATOM 210 CG2 ILE A 13 0.136 -8.861 -3.786 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.558 -7.720 -3.210 1.00 1.55 C ATOM 0 H ILE A 13 -0.327 -8.961 0.252 1.00 0.48 H new ATOM 0 HA ILE A 13 0.360 -10.561 -2.084 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.083 -7.642 -1.947 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.181 -9.714 -2.509 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.180 -8.499 -1.246 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.365 -8.151 -4.444 1.00 1.13 H new ATOM 0 HG22 ILE A 13 1.215 -8.718 -3.852 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.115 -9.877 -4.091 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.638 -7.824 -3.108 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.266 -6.701 -2.956 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.268 -7.935 -4.239 1.00 1.55 H new ATOM 223 N THR A 14 2.738 -10.050 -1.767 1.00 0.55 N ATOM 224 CA THR A 14 4.148 -9.830 -1.666 1.00 0.54 C ATOM 225 C THR A 14 4.563 -9.076 -2.882 1.00 0.55 C ATOM 226 O THR A 14 4.712 -9.627 -3.972 1.00 0.72 O ATOM 227 CB THR A 14 4.881 -11.111 -1.406 1.00 0.67 C ATOM 228 OG1 THR A 14 4.450 -11.672 -0.173 1.00 1.08 O ATOM 229 CG2 THR A 14 6.361 -10.749 -1.199 1.00 1.03 C ATOM 0 H THR A 14 2.497 -10.900 -2.276 1.00 0.55 H new ATOM 0 HA THR A 14 4.412 -9.221 -0.801 1.00 0.54 H new ATOM 0 HB THR A 14 4.712 -11.803 -2.231 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.974 -11.290 0.561 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.934 -11.656 -1.006 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.745 -10.261 -2.095 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.455 -10.073 -0.349 1.00 1.03 H new ATOM 237 N LEU A 15 4.636 -7.740 -2.747 1.00 0.50 N ATOM 238 CA LEU A 15 4.970 -6.971 -3.906 1.00 0.55 C ATOM 239 C LEU A 15 6.394 -6.576 -4.095 1.00 0.52 C ATOM 240 O LEU A 15 7.147 -6.217 -3.192 1.00 0.58 O ATOM 241 CB LEU A 15 4.284 -5.595 -3.880 1.00 0.69 C ATOM 242 CG LEU A 15 2.759 -5.745 -4.003 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.976 -4.433 -3.830 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.413 -6.520 -5.287 1.00 1.55 C ATOM 0 H LEU A 15 4.474 -7.215 -1.888 1.00 0.50 H new ATOM 0 HA LEU A 15 4.662 -7.666 -4.687 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.530 -5.078 -2.952 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.661 -4.980 -4.697 1.00 0.69 H new ATOM 0 HG LEU A 15 2.418 -6.337 -3.154 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.909 -4.630 -3.932 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.176 -4.018 -2.842 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.288 -3.720 -4.593 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.331 -6.623 -5.369 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.792 -5.977 -6.153 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.870 -7.509 -5.250 1.00 1.55 H new ATOM 256 N GLU A 16 6.764 -6.697 -5.383 1.00 0.59 N ATOM 257 CA GLU A 16 7.911 -6.126 -6.018 1.00 0.63 C ATOM 258 C GLU A 16 7.850 -4.642 -5.902 1.00 0.65 C ATOM 259 O GLU A 16 6.959 -4.011 -6.469 1.00 0.81 O ATOM 260 CB GLU A 16 7.972 -6.624 -7.471 1.00 0.76 C ATOM 261 CG GLU A 16 8.281 -8.117 -7.616 1.00 1.41 C ATOM 262 CD GLU A 16 8.005 -8.667 -9.007 1.00 1.52 C ATOM 263 OE1 GLU A 16 6.829 -8.930 -9.372 1.00 1.95 O ATOM 264 OE2 GLU A 16 8.974 -8.748 -9.808 1.00 1.92 O ATOM 0 H GLU A 16 6.207 -7.246 -6.038 1.00 0.59 H new ATOM 0 HA GLU A 16 8.835 -6.440 -5.531 1.00 0.63 H new ATOM 0 HB2 GLU A 16 7.018 -6.414 -7.954 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.732 -6.055 -8.006 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.329 -8.288 -7.369 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.688 -8.674 -6.891 1.00 1.41 H new ATOM 271 N VAL A 17 8.776 -3.995 -5.172 1.00 0.61 N ATOM 272 CA VAL A 17 8.943 -2.579 -5.053 1.00 0.63 C ATOM 273 C VAL A 17 10.390 -2.235 -5.137 1.00 0.65 C ATOM 274 O VAL A 17 11.305 -3.035 -4.948 1.00 0.76 O ATOM 275 CB VAL A 17 8.270 -1.841 -3.933 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.768 -2.168 -3.942 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.806 -2.447 -2.625 1.00 0.92 C ATOM 0 H VAL A 17 9.464 -4.506 -4.620 1.00 0.61 H new ATOM 0 HA VAL A 17 8.374 -2.205 -5.904 1.00 0.63 H new ATOM 0 HB VAL A 17 8.446 -0.770 -4.029 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.275 -1.634 -3.130 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.335 -1.861 -4.894 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.628 -3.241 -3.809 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.346 -1.943 -1.775 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.565 -3.510 -2.591 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.888 -2.319 -2.581 1.00 0.92 H new ATOM 287 N GLU A 18 10.694 -0.939 -5.329 1.00 0.68 N ATOM 288 CA GLU A 18 11.988 -0.333 -5.285 1.00 0.74 C ATOM 289 C GLU A 18 11.770 0.746 -4.280 1.00 0.71 C ATOM 290 O GLU A 18 10.629 1.101 -3.991 1.00 0.74 O ATOM 291 CB GLU A 18 12.479 0.232 -6.629 1.00 0.88 C ATOM 292 CG GLU A 18 12.717 -0.887 -7.646 1.00 1.16 C ATOM 293 CD GLU A 18 13.994 -1.687 -7.439 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.083 -1.205 -7.851 1.00 2.33 O ATOM 295 OE2 GLU A 18 13.908 -2.794 -6.844 1.00 2.35 O ATOM 0 H GLU A 18 9.966 -0.255 -5.534 1.00 0.68 H new ATOM 0 HA GLU A 18 12.773 -1.048 -5.038 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.743 0.934 -7.022 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.402 0.791 -6.476 1.00 0.88 H new ATOM 0 HG2 GLU A 18 11.869 -1.571 -7.615 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.738 -0.451 -8.645 1.00 1.16 H new ATOM 302 N PRO A 19 12.758 1.339 -3.680 1.00 0.74 N ATOM 303 CA PRO A 19 12.428 2.296 -2.666 1.00 0.74 C ATOM 304 C PRO A 19 12.106 3.585 -3.340 1.00 0.70 C ATOM 305 O PRO A 19 11.575 4.500 -2.712 1.00 0.74 O ATOM 306 CB PRO A 19 13.682 2.330 -1.794 1.00 0.86 C ATOM 307 CG PRO A 19 14.814 1.624 -2.556 1.00 0.95 C ATOM 308 CD PRO A 19 14.099 0.776 -3.621 1.00 0.82 C ATOM 0 HA PRO A 19 11.557 2.067 -2.051 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.960 3.359 -1.568 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.497 1.833 -0.842 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.493 2.344 -3.013 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.411 1.002 -1.890 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.602 0.841 -4.586 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.077 -0.278 -3.343 1.00 0.82 H new ATOM 316 N SER A 20 12.301 3.675 -4.668 1.00 0.70 N ATOM 317 CA SER A 20 11.942 4.857 -5.389 1.00 0.74 C ATOM 318 C SER A 20 10.644 4.788 -6.116 1.00 0.71 C ATOM 319 O SER A 20 10.337 5.560 -7.024 1.00 0.80 O ATOM 320 CB SER A 20 13.108 5.264 -6.306 1.00 0.89 C ATOM 321 OG SER A 20 13.566 4.237 -7.172 1.00 1.45 O ATOM 0 H SER A 20 12.705 2.934 -5.240 1.00 0.70 H new ATOM 0 HA SER A 20 11.766 5.635 -4.646 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.798 6.118 -6.909 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.941 5.597 -5.687 1.00 0.89 H new ATOM 0 HG SER A 20 14.304 4.576 -7.720 1.00 1.45 H new ATOM 327 N ASP A 21 9.770 3.822 -5.781 1.00 0.70 N ATOM 328 CA ASP A 21 8.423 3.620 -6.219 1.00 0.73 C ATOM 329 C ASP A 21 7.589 4.589 -5.453 1.00 0.64 C ATOM 330 O ASP A 21 7.801 4.813 -4.262 1.00 0.66 O ATOM 331 CB ASP A 21 7.970 2.158 -6.077 1.00 0.87 C ATOM 332 CG ASP A 21 8.458 1.238 -7.188 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.090 1.755 -8.147 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.145 0.019 -7.130 1.00 1.50 O ATOM 0 H ASP A 21 10.046 3.095 -5.121 1.00 0.70 H new ATOM 0 HA ASP A 21 8.321 3.807 -7.288 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.323 1.772 -5.121 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.881 2.129 -6.050 1.00 0.87 H new ATOM 339 N THR A 22 6.548 5.126 -6.115 1.00 0.63 N ATOM 340 CA THR A 22 5.563 6.004 -5.563 1.00 0.58 C ATOM 341 C THR A 22 4.483 5.249 -4.870 1.00 0.53 C ATOM 342 O THR A 22 4.191 4.117 -5.253 1.00 0.58 O ATOM 343 CB THR A 22 4.881 6.907 -6.547 1.00 0.63 C ATOM 344 OG1 THR A 22 4.278 6.304 -7.682 1.00 0.70 O ATOM 345 CG2 THR A 22 5.830 7.988 -7.091 1.00 0.75 C ATOM 0 H THR A 22 6.384 4.933 -7.103 1.00 0.63 H new ATOM 0 HA THR A 22 6.146 6.620 -4.879 1.00 0.58 H new ATOM 0 HB THR A 22 4.078 7.309 -5.930 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.868 6.997 -8.241 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.294 8.619 -7.800 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.196 8.599 -6.266 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.673 7.513 -7.593 1.00 0.75 H new ATOM 353 N ILE A 23 3.838 5.924 -3.902 1.00 0.51 N ATOM 354 CA ILE A 23 2.787 5.310 -3.153 1.00 0.48 C ATOM 355 C ILE A 23 1.608 5.062 -4.031 1.00 0.48 C ATOM 356 O ILE A 23 0.983 4.006 -3.953 1.00 0.51 O ATOM 357 CB ILE A 23 2.334 6.032 -1.918 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.484 6.443 -0.984 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.293 5.187 -1.167 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.171 5.207 -0.405 1.00 0.73 C ATOM 0 H ILE A 23 4.042 6.888 -3.639 1.00 0.51 H new ATOM 0 HA ILE A 23 3.232 4.383 -2.792 1.00 0.48 H new ATOM 0 HB ILE A 23 1.879 6.965 -2.252 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.208 7.045 -1.532 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.099 7.065 -0.176 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.970 5.719 -0.272 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.434 5.009 -1.814 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.736 4.233 -0.882 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.982 5.517 0.254 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.448 4.620 0.161 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.574 4.601 -1.217 1.00 0.73 H new ATOM 372 N GLU A 24 1.295 5.949 -4.992 1.00 0.50 N ATOM 373 CA GLU A 24 0.327 5.740 -6.024 1.00 0.53 C ATOM 374 C GLU A 24 0.667 4.566 -6.876 1.00 0.50 C ATOM 375 O GLU A 24 -0.204 3.753 -7.182 1.00 0.55 O ATOM 376 CB GLU A 24 0.230 6.942 -6.978 1.00 0.64 C ATOM 377 CG GLU A 24 -0.790 6.869 -8.116 1.00 0.95 C ATOM 378 CD GLU A 24 -0.790 8.105 -9.004 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.278 8.320 -9.637 1.00 1.56 O ATOM 380 OE2 GLU A 24 -1.784 8.870 -9.123 1.00 1.62 O ATOM 0 H GLU A 24 1.743 6.863 -5.052 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.615 5.584 -5.498 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.003 7.826 -6.381 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.214 7.099 -7.420 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.580 5.991 -8.727 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.786 6.733 -7.694 1.00 0.95 H new ATOM 387 N ASN A 25 1.924 4.321 -7.286 1.00 0.51 N ATOM 388 CA ASN A 25 2.319 3.183 -8.056 1.00 0.52 C ATOM 389 C ASN A 25 2.091 1.870 -7.390 1.00 0.47 C ATOM 390 O ASN A 25 1.721 0.907 -8.059 1.00 0.53 O ATOM 391 CB ASN A 25 3.708 3.507 -8.633 1.00 0.64 C ATOM 392 CG ASN A 25 4.251 2.376 -9.492 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.082 1.643 -8.959 1.00 2.13 O ATOM 394 ND2 ASN A 25 3.694 2.155 -10.713 1.00 1.57 N ATOM 0 H ASN A 25 2.701 4.946 -7.070 1.00 0.51 H new ATOM 0 HA ASN A 25 1.660 3.009 -8.906 1.00 0.52 H new ATOM 0 HB2 ASN A 25 3.649 4.418 -9.229 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.402 3.706 -7.816 1.00 0.64 H new ATOM 0 HD21 ASN A 25 3.961 1.332 -11.254 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.009 2.812 -11.088 1.00 1.57 H new ATOM 401 N VAL A 26 2.308 1.838 -6.062 1.00 0.45 N ATOM 402 CA VAL A 26 1.928 0.721 -5.254 1.00 0.44 C ATOM 403 C VAL A 26 0.496 0.339 -5.411 1.00 0.40 C ATOM 404 O VAL A 26 0.153 -0.798 -5.729 1.00 0.44 O ATOM 405 CB VAL A 26 2.325 0.799 -3.809 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.264 -0.628 -3.240 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.687 1.426 -3.468 1.00 0.62 C ATOM 0 H VAL A 26 2.752 2.596 -5.544 1.00 0.45 H new ATOM 0 HA VAL A 26 2.532 -0.088 -5.664 1.00 0.44 H new ATOM 0 HB VAL A 26 1.618 1.495 -3.358 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.547 -0.612 -2.188 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.250 -1.015 -3.337 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.952 -1.269 -3.791 1.00 0.60 H new ATOM 0 HG21 VAL A 26 3.834 1.412 -2.388 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.481 0.855 -3.949 1.00 0.62 H new ATOM 0 HG23 VAL A 26 3.713 2.456 -3.825 1.00 0.62 H new ATOM 417 N LYS A 27 -0.402 1.332 -5.270 1.00 0.40 N ATOM 418 CA LYS A 27 -1.791 1.101 -5.518 1.00 0.41 C ATOM 419 C LYS A 27 -2.094 0.651 -6.906 1.00 0.38 C ATOM 420 O LYS A 27 -2.945 -0.220 -7.076 1.00 0.42 O ATOM 421 CB LYS A 27 -2.565 2.390 -5.200 1.00 0.51 C ATOM 422 CG LYS A 27 -2.323 2.870 -3.768 1.00 0.76 C ATOM 423 CD LYS A 27 -3.217 4.068 -3.443 1.00 0.82 C ATOM 424 CE LYS A 27 -2.998 4.751 -2.092 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.958 5.861 -1.905 1.00 1.11 N ATOM 0 H LYS A 27 -0.169 2.284 -4.988 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.102 0.281 -4.871 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.268 3.172 -5.899 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.631 2.218 -5.349 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.524 2.059 -3.068 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.276 3.146 -3.643 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.081 4.814 -4.226 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.255 3.739 -3.492 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.114 4.024 -1.288 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -1.978 5.132 -2.032 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.739 6.365 -1.022 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.887 6.520 -2.706 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.924 5.480 -1.855 1.00 1.11 H new ATOM 439 N ALA A 28 -1.353 1.057 -7.953 1.00 0.39 N ATOM 440 CA ALA A 28 -1.473 0.520 -9.272 1.00 0.39 C ATOM 441 C ALA A 28 -0.992 -0.886 -9.384 1.00 0.36 C ATOM 442 O ALA A 28 -1.542 -1.609 -10.214 1.00 0.42 O ATOM 443 CB ALA A 28 -0.851 1.535 -10.245 1.00 0.51 C ATOM 0 H ALA A 28 -0.644 1.786 -7.877 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.520 0.401 -9.549 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.926 1.155 -11.264 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.383 2.483 -10.171 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.198 1.687 -9.991 1.00 0.51 H new ATOM 449 N LYS A 29 0.034 -1.357 -8.653 1.00 0.39 N ATOM 450 CA LYS A 29 0.425 -2.732 -8.646 1.00 0.43 C ATOM 451 C LYS A 29 -0.589 -3.553 -7.925 1.00 0.44 C ATOM 452 O LYS A 29 -0.744 -4.715 -8.297 1.00 0.54 O ATOM 453 CB LYS A 29 1.706 -2.977 -7.831 1.00 0.54 C ATOM 454 CG LYS A 29 3.015 -2.298 -8.242 1.00 0.65 C ATOM 455 CD LYS A 29 4.061 -2.239 -7.129 1.00 1.08 C ATOM 456 CE LYS A 29 5.038 -1.071 -7.280 1.00 1.24 C ATOM 457 NZ LYS A 29 6.171 -1.476 -8.142 1.00 1.44 N ATOM 0 H LYS A 29 0.607 -0.766 -8.051 1.00 0.39 H new ATOM 0 HA LYS A 29 0.551 -2.994 -9.696 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.497 -2.683 -6.802 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.886 -4.052 -7.825 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.436 -2.830 -9.095 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.797 -1.284 -8.576 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.554 -2.158 -6.167 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.622 -3.174 -7.116 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.528 -0.211 -7.714 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.405 -0.763 -6.301 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.926 -0.764 -8.080 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.537 -2.397 -7.825 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.847 -1.553 -9.127 1.00 1.44 H new ATOM 471 N ILE A 30 -1.375 -3.016 -6.976 1.00 0.41 N ATOM 472 CA ILE A 30 -2.439 -3.755 -6.368 1.00 0.44 C ATOM 473 C ILE A 30 -3.558 -3.776 -7.351 1.00 0.45 C ATOM 474 O ILE A 30 -4.333 -4.732 -7.324 1.00 0.56 O ATOM 475 CB ILE A 30 -2.842 -3.154 -5.054 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.694 -3.205 -4.030 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.935 -4.052 -4.451 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.949 -2.483 -2.708 1.00 1.32 C ATOM 0 H ILE A 30 -1.273 -2.063 -6.627 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.128 -4.773 -6.133 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.149 -2.124 -5.238 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.471 -4.250 -3.814 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.803 -2.777 -4.490 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.253 -3.644 -3.492 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.788 -4.092 -5.129 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.540 -5.057 -4.305 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.075 -2.584 -2.064 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.138 -1.427 -2.901 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.816 -2.922 -2.215 1.00 1.32 H new ATOM 490 N GLN A 31 -3.699 -2.802 -8.266 1.00 0.41 N ATOM 491 CA GLN A 31 -4.728 -2.846 -9.258 1.00 0.48 C ATOM 492 C GLN A 31 -4.447 -3.943 -10.227 1.00 0.52 C ATOM 493 O GLN A 31 -5.321 -4.709 -10.629 1.00 0.66 O ATOM 494 CB GLN A 31 -4.966 -1.451 -9.860 1.00 0.52 C ATOM 495 CG GLN A 31 -6.080 -1.451 -10.909 1.00 0.70 C ATOM 496 CD GLN A 31 -6.552 -0.067 -11.334 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.764 0.124 -11.410 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.646 0.852 -11.764 1.00 1.43 N ATOM 0 H GLN A 31 -3.098 -1.980 -8.319 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.690 -3.104 -8.814 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.221 -0.753 -9.063 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.043 -1.092 -10.314 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.730 -1.988 -11.791 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.932 -2.006 -10.515 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.647 0.659 -11.685 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.965 1.734 -12.165 1.00 1.43 H new ATOM 507 N ASP A 32 -3.218 -4.048 -10.763 1.00 0.50 N ATOM 508 CA ASP A 32 -2.746 -5.098 -11.611 1.00 0.60 C ATOM 509 C ASP A 32 -2.987 -6.463 -11.062 1.00 0.65 C ATOM 510 O ASP A 32 -3.323 -7.377 -11.813 1.00 0.81 O ATOM 511 CB ASP A 32 -1.273 -4.829 -11.962 1.00 0.67 C ATOM 512 CG ASP A 32 -0.791 -5.490 -13.246 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.358 -5.279 -14.351 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.074 -6.380 -13.030 1.00 1.51 O ATOM 0 H ASP A 32 -2.501 -3.344 -10.589 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.331 -5.090 -12.531 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.125 -3.752 -12.047 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.649 -5.172 -11.137 1.00 0.67 H new ATOM 519 N LYS A 33 -2.827 -6.670 -9.744 1.00 0.62 N ATOM 520 CA LYS A 33 -2.909 -7.909 -9.033 1.00 0.73 C ATOM 521 C LYS A 33 -4.356 -8.146 -8.776 1.00 0.69 C ATOM 522 O LYS A 33 -5.002 -8.953 -9.444 1.00 0.83 O ATOM 523 CB LYS A 33 -2.230 -7.925 -7.654 1.00 0.85 C ATOM 524 CG LYS A 33 -0.709 -7.886 -7.489 1.00 1.31 C ATOM 525 CD LYS A 33 0.026 -9.222 -7.611 1.00 1.71 C ATOM 526 CE LYS A 33 1.495 -9.027 -7.991 1.00 2.26 C ATOM 527 NZ LYS A 33 2.213 -10.322 -7.999 1.00 2.62 N ATOM 0 H LYS A 33 -2.620 -5.893 -9.116 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.403 -8.654 -9.646 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.626 -7.074 -7.101 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.576 -8.825 -7.146 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.302 -7.204 -8.235 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.483 -7.460 -6.511 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.037 -9.760 -6.665 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.465 -9.840 -8.362 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.562 -8.563 -8.975 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.971 -8.347 -7.285 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.208 -10.166 -8.259 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 2.166 -10.751 -7.053 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.770 -10.960 -8.691 1.00 2.62 H new ATOM 541 N GLU A 34 -4.964 -7.359 -7.871 1.00 0.63 N ATOM 542 CA GLU A 34 -6.253 -7.723 -7.372 1.00 0.67 C ATOM 543 C GLU A 34 -7.461 -7.053 -7.931 1.00 0.69 C ATOM 544 O GLU A 34 -8.425 -7.655 -8.402 1.00 0.95 O ATOM 545 CB GLU A 34 -6.495 -7.577 -5.859 1.00 0.73 C ATOM 546 CG GLU A 34 -5.440 -8.295 -5.014 1.00 0.83 C ATOM 547 CD GLU A 34 -5.359 -9.784 -5.320 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.204 -10.518 -4.740 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.441 -10.208 -6.070 1.00 1.37 O ATOM 0 H GLU A 34 -4.577 -6.494 -7.493 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.168 -8.757 -7.707 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.503 -6.519 -5.598 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.480 -7.973 -5.614 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.466 -7.838 -5.190 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.670 -8.157 -3.958 1.00 0.83 H new ATOM 556 N GLY A 35 -7.349 -5.719 -8.057 1.00 0.63 N ATOM 557 CA GLY A 35 -8.219 -4.861 -8.801 1.00 0.68 C ATOM 558 C GLY A 35 -9.118 -3.988 -7.996 1.00 0.76 C ATOM 559 O GLY A 35 -10.300 -4.229 -7.758 1.00 1.12 O ATOM 0 H GLY A 35 -6.594 -5.203 -7.605 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.609 -4.226 -9.444 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.835 -5.479 -9.455 1.00 0.68 H new ATOM 563 N ILE A 36 -8.429 -2.973 -7.443 1.00 0.70 N ATOM 564 CA ILE A 36 -8.968 -1.961 -6.589 1.00 0.76 C ATOM 565 C ILE A 36 -8.544 -0.665 -7.189 1.00 0.71 C ATOM 566 O ILE A 36 -7.348 -0.417 -7.334 1.00 0.73 O ATOM 567 CB ILE A 36 -8.568 -2.076 -5.148 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.940 -3.431 -4.521 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.260 -0.933 -4.389 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.847 -4.450 -4.206 1.00 1.16 C ATOM 0 H ILE A 36 -7.429 -2.853 -7.604 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.052 -2.061 -6.543 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.482 -2.008 -5.081 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.469 -3.224 -3.591 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -9.651 -3.914 -5.191 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.993 -0.983 -3.333 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.938 0.024 -4.800 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.341 -1.028 -4.495 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.296 -5.342 -3.770 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.324 -4.719 -5.124 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -7.139 -4.017 -3.499 1.00 1.16 H new ATOM 582 N PRO A 37 -9.373 0.295 -7.470 1.00 0.75 N ATOM 583 CA PRO A 37 -8.975 1.572 -7.987 1.00 0.79 C ATOM 584 C PRO A 37 -8.022 2.388 -7.183 1.00 0.75 C ATOM 585 O PRO A 37 -8.279 2.362 -5.980 1.00 0.75 O ATOM 586 CB PRO A 37 -10.358 2.209 -8.093 1.00 0.95 C ATOM 587 CG PRO A 37 -11.288 1.108 -8.629 1.00 1.02 C ATOM 588 CD PRO A 37 -10.755 -0.049 -7.768 1.00 0.85 C ATOM 0 HA PRO A 37 -8.379 1.491 -8.896 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.698 2.569 -7.122 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.342 3.068 -8.764 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.343 1.319 -8.455 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.170 0.933 -9.698 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.338 -0.159 -6.854 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.817 -0.997 -8.302 1.00 0.85 H new ATOM 596 N PRO A 38 -6.974 3.030 -7.604 1.00 0.81 N ATOM 597 CA PRO A 38 -6.011 3.716 -6.793 1.00 0.85 C ATOM 598 C PRO A 38 -6.404 4.918 -6.005 1.00 0.89 C ATOM 599 O PRO A 38 -5.748 5.279 -5.028 1.00 0.99 O ATOM 600 CB PRO A 38 -4.974 4.248 -7.780 1.00 1.01 C ATOM 601 CG PRO A 38 -4.995 3.186 -8.890 1.00 1.25 C ATOM 602 CD PRO A 38 -6.407 2.578 -8.865 1.00 0.98 C ATOM 0 HA PRO A 38 -5.730 2.975 -6.045 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.242 5.235 -8.158 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -3.988 4.338 -7.324 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.779 3.632 -9.861 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.238 2.422 -8.714 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.001 2.919 -9.713 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.372 1.490 -8.917 1.00 0.98 H new ATOM 610 N ASP A 39 -7.565 5.535 -6.283 1.00 0.96 N ATOM 611 CA ASP A 39 -8.145 6.521 -5.424 1.00 1.11 C ATOM 612 C ASP A 39 -8.916 5.883 -4.321 1.00 1.00 C ATOM 613 O ASP A 39 -9.208 6.560 -3.336 1.00 1.14 O ATOM 614 CB ASP A 39 -9.026 7.525 -6.186 1.00 1.39 C ATOM 615 CG ASP A 39 -9.806 7.004 -7.385 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.910 5.765 -7.593 1.00 2.25 O ATOM 617 OD2 ASP A 39 -10.385 7.901 -8.054 1.00 2.23 O ATOM 0 H ASP A 39 -8.113 5.346 -7.122 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.316 7.083 -4.994 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.739 7.951 -5.480 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -8.389 8.341 -6.527 1.00 1.39 H new ATOM 622 N GLN A 40 -9.355 4.615 -4.412 1.00 0.87 N ATOM 623 CA GLN A 40 -10.171 4.119 -3.347 1.00 0.84 C ATOM 624 C GLN A 40 -9.409 3.535 -2.207 1.00 0.67 C ATOM 625 O GLN A 40 -9.709 3.803 -1.045 1.00 0.80 O ATOM 626 CB GLN A 40 -11.208 3.106 -3.861 1.00 0.95 C ATOM 627 CG GLN A 40 -12.248 2.627 -2.846 1.00 1.32 C ATOM 628 CD GLN A 40 -13.377 1.808 -3.457 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.170 1.186 -4.498 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.534 1.722 -2.749 1.00 2.02 N ATOM 0 H GLN A 40 -9.161 3.966 -5.174 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.681 4.999 -2.955 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.734 3.553 -4.705 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.675 2.235 -4.242 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.749 2.028 -2.085 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.674 3.494 -2.341 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.649 2.262 -1.892 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.288 1.117 -3.075 1.00 2.02 H new ATOM 639 N GLN A 41 -8.217 2.992 -2.510 1.00 0.56 N ATOM 640 CA GLN A 41 -7.419 2.332 -1.522 1.00 0.51 C ATOM 641 C GLN A 41 -6.704 3.338 -0.688 1.00 0.49 C ATOM 642 O GLN A 41 -6.163 4.247 -1.317 1.00 0.65 O ATOM 643 CB GLN A 41 -6.568 1.144 -2.000 1.00 0.67 C ATOM 644 CG GLN A 41 -6.287 1.338 -3.492 1.00 0.69 C ATOM 645 CD GLN A 41 -5.346 0.240 -3.970 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.392 -0.150 -3.300 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.585 -0.138 -5.255 1.00 0.61 N ATOM 0 H GLN A 41 -7.804 3.010 -3.442 1.00 0.56 H new ATOM 0 HA GLN A 41 -8.116 1.799 -0.876 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.635 1.093 -1.439 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -7.094 0.205 -1.830 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.219 1.307 -4.057 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -5.841 2.317 -3.666 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.398 0.227 -5.751 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.951 -0.786 -5.722 1.00 0.61 H new ATOM 656 N ARG A 42 -6.706 3.125 0.640 1.00 0.47 N ATOM 657 CA ARG A 42 -5.833 3.785 1.560 1.00 0.55 C ATOM 658 C ARG A 42 -4.749 2.858 1.990 1.00 0.46 C ATOM 659 O ARG A 42 -4.946 1.670 2.241 1.00 0.52 O ATOM 660 CB ARG A 42 -6.656 3.998 2.841 1.00 0.73 C ATOM 661 CG ARG A 42 -7.714 5.097 2.716 1.00 1.04 C ATOM 662 CD ARG A 42 -8.825 5.073 3.768 1.00 1.28 C ATOM 663 NE ARG A 42 -9.586 6.351 3.690 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.343 6.741 4.756 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.663 5.943 5.816 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.987 7.944 4.814 1.00 2.78 N ATOM 0 H ARG A 42 -7.341 2.467 1.091 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.433 4.690 1.102 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.147 3.062 3.107 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.980 4.247 3.659 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.214 6.064 2.765 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.172 5.024 1.729 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.490 4.227 3.596 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.400 4.947 4.764 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.542 6.928 2.850 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.330 4.980 5.848 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.235 6.310 6.576 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.914 8.600 4.036 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -11.541 8.187 5.635 1.00 2.78 H new ATOM 680 N LEU A 43 -3.492 3.333 2.049 1.00 0.46 N ATOM 681 CA LEU A 43 -2.397 2.598 2.598 1.00 0.42 C ATOM 682 C LEU A 43 -1.978 3.198 3.897 1.00 0.43 C ATOM 683 O LEU A 43 -1.778 4.390 4.125 1.00 0.55 O ATOM 684 CB LEU A 43 -1.321 2.551 1.501 1.00 0.55 C ATOM 685 CG LEU A 43 -1.586 1.339 0.591 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.688 1.397 -0.656 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.287 -0.046 1.191 1.00 1.12 C ATOM 0 H LEU A 43 -3.230 4.257 1.704 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.646 1.570 2.861 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.338 3.471 0.917 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.330 2.476 1.949 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.656 1.423 0.399 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.888 0.532 -1.289 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.897 2.310 -1.213 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.359 1.389 -0.351 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.513 -0.818 0.455 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.234 -0.104 1.466 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -1.902 -0.199 2.078 1.00 1.12 H new ATOM 699 N ILE A 44 -1.804 2.310 4.891 1.00 0.42 N ATOM 700 CA ILE A 44 -1.428 2.644 6.230 1.00 0.46 C ATOM 701 C ILE A 44 -0.136 1.949 6.493 1.00 0.42 C ATOM 702 O ILE A 44 0.066 0.829 6.024 1.00 0.53 O ATOM 703 CB ILE A 44 -2.459 2.184 7.219 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.651 3.147 7.096 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.013 1.973 8.676 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.873 2.679 7.886 1.00 1.27 C ATOM 0 H ILE A 44 -1.932 1.307 4.754 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.339 3.725 6.338 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.718 1.160 6.951 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.353 4.134 7.448 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -3.921 3.251 6.045 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.863 1.641 9.272 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.229 1.217 8.711 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.631 2.911 9.079 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.683 3.397 7.762 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.193 1.704 7.518 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.615 2.601 8.942 1.00 1.27 H new ATOM 718 N PHE A 45 0.728 2.670 7.229 1.00 0.42 N ATOM 719 CA PHE A 45 1.946 2.108 7.724 1.00 0.46 C ATOM 720 C PHE A 45 2.230 3.028 8.862 1.00 0.68 C ATOM 721 O PHE A 45 1.879 4.205 8.805 1.00 1.50 O ATOM 722 CB PHE A 45 3.004 2.227 6.614 1.00 0.56 C ATOM 723 CG PHE A 45 4.436 2.092 7.003 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.897 0.859 7.400 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.286 3.172 6.967 1.00 1.19 C ATOM 726 CE1 PHE A 45 6.230 0.622 7.639 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.625 2.978 7.208 1.00 1.33 C ATOM 728 CZ PHE A 45 7.060 1.712 7.519 1.00 1.02 C ATOM 0 H PHE A 45 0.582 3.647 7.482 1.00 0.42 H new ATOM 0 HA PHE A 45 1.920 1.059 8.018 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.788 1.468 5.862 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.877 3.197 6.133 1.00 0.56 H new ATOM 0 HD1 PHE A 45 4.191 0.052 7.528 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.906 4.160 6.752 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.601 -0.357 7.904 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.320 3.803 7.154 1.00 1.33 H new ATOM 0 HZ PHE A 45 8.118 1.564 7.679 1.00 1.02 H new ATOM 738 N ALA A 46 2.728 2.444 9.967 1.00 0.81 N ATOM 739 CA ALA A 46 2.994 3.012 11.252 1.00 0.96 C ATOM 740 C ALA A 46 1.806 3.334 12.093 1.00 0.97 C ATOM 741 O ALA A 46 1.698 3.096 13.295 1.00 1.21 O ATOM 742 CB ALA A 46 3.961 4.192 11.059 1.00 1.20 C ATOM 0 H ALA A 46 2.972 1.454 9.953 1.00 0.81 H new ATOM 0 HA ALA A 46 3.462 2.238 11.860 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.181 4.644 12.026 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.886 3.834 10.607 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.502 4.935 10.407 1.00 1.20 H new ATOM 748 N GLY A 47 0.801 3.956 11.453 1.00 0.99 N ATOM 749 CA GLY A 47 -0.305 4.488 12.187 1.00 1.10 C ATOM 750 C GLY A 47 -1.102 5.389 11.307 1.00 1.03 C ATOM 751 O GLY A 47 -2.330 5.381 11.226 1.00 1.30 O ATOM 0 H GLY A 47 0.753 4.090 10.443 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.932 3.677 12.558 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.054 5.037 13.058 1.00 1.10 H new ATOM 755 N LYS A 48 -0.374 6.291 10.625 1.00 0.98 N ATOM 756 CA LYS A 48 -1.027 7.193 9.727 1.00 1.05 C ATOM 757 C LYS A 48 -1.317 6.675 8.361 1.00 0.84 C ATOM 758 O LYS A 48 -0.911 5.580 7.974 1.00 0.81 O ATOM 759 CB LYS A 48 -0.227 8.507 9.706 1.00 1.42 C ATOM 760 CG LYS A 48 1.103 8.462 8.950 1.00 1.61 C ATOM 761 CD LYS A 48 1.660 9.872 8.752 1.00 1.87 C ATOM 762 CE LYS A 48 3.042 9.903 8.095 1.00 2.22 C ATOM 763 NZ LYS A 48 3.985 9.204 8.996 1.00 2.55 N ATOM 0 H LYS A 48 0.638 6.396 10.691 1.00 0.98 H new ATOM 0 HA LYS A 48 -2.032 7.353 10.117 1.00 1.05 H new ATOM 0 HB2 LYS A 48 -0.850 9.283 9.262 1.00 1.42 H new ATOM 0 HB3 LYS A 48 -0.029 8.807 10.735 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.821 7.856 9.503 1.00 1.61 H new ATOM 0 HG3 LYS A 48 0.960 7.983 7.982 1.00 1.61 H new ATOM 0 HD2 LYS A 48 0.964 10.445 8.140 1.00 1.87 H new ATOM 0 HD3 LYS A 48 1.717 10.370 9.720 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.013 9.416 7.120 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.363 10.931 7.929 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.960 9.476 8.757 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 3.784 9.468 9.982 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 3.875 8.176 8.884 1.00 2.55 H new ATOM 777 N GLN A 49 -1.930 7.498 7.491 1.00 0.84 N ATOM 778 CA GLN A 49 -2.086 7.179 6.106 1.00 0.80 C ATOM 779 C GLN A 49 -1.014 7.801 5.278 1.00 0.72 C ATOM 780 O GLN A 49 -0.600 8.949 5.433 1.00 0.83 O ATOM 781 CB GLN A 49 -3.465 7.715 5.685 1.00 1.03 C ATOM 782 CG GLN A 49 -3.957 7.325 4.289 1.00 1.67 C ATOM 783 CD GLN A 49 -5.386 7.827 4.147 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.162 7.688 5.091 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.810 8.279 2.937 1.00 2.48 N ATOM 0 H GLN A 49 -2.324 8.401 7.754 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.012 6.102 5.954 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.200 7.372 6.413 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.440 8.803 5.745 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.319 7.764 3.522 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.916 6.244 4.157 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.145 8.385 2.171 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.793 8.512 2.795 1.00 2.48 H new ATOM 794 N LEU A 50 -0.654 7.086 4.198 1.00 0.69 N ATOM 795 CA LEU A 50 0.414 7.490 3.337 1.00 0.66 C ATOM 796 C LEU A 50 -0.253 8.249 2.243 1.00 0.72 C ATOM 797 O LEU A 50 -1.211 7.741 1.662 1.00 0.90 O ATOM 798 CB LEU A 50 1.279 6.330 2.814 1.00 0.65 C ATOM 799 CG LEU A 50 1.881 5.406 3.886 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.928 4.418 3.348 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.534 6.142 5.067 1.00 0.74 C ATOM 0 H LEU A 50 -1.109 6.217 3.918 1.00 0.69 H new ATOM 0 HA LEU A 50 1.140 8.095 3.880 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.673 5.725 2.139 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.094 6.748 2.222 1.00 0.65 H new ATOM 0 HG LEU A 50 0.999 4.867 4.230 1.00 0.64 H new ATOM 0 HD11 LEU A 50 3.303 3.804 4.167 1.00 0.77 H new ATOM 0 HD12 LEU A 50 2.470 3.778 2.594 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.754 4.971 2.901 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.932 5.414 5.774 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.344 6.772 4.700 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.789 6.763 5.565 1.00 0.74 H new ATOM 813 N GLU A 51 0.287 9.423 1.871 1.00 0.70 N ATOM 814 CA GLU A 51 -0.244 10.181 0.781 1.00 0.76 C ATOM 815 C GLU A 51 0.331 9.739 -0.521 1.00 0.77 C ATOM 816 O GLU A 51 1.521 9.447 -0.637 1.00 1.23 O ATOM 817 CB GLU A 51 0.026 11.679 1.004 1.00 0.88 C ATOM 818 CG GLU A 51 -0.555 12.210 2.316 1.00 1.35 C ATOM 819 CD GLU A 51 0.076 13.510 2.791 1.00 1.46 C ATOM 820 OE1 GLU A 51 -0.126 14.607 2.204 1.00 1.94 O ATOM 821 OE2 GLU A 51 0.957 13.487 3.691 1.00 1.89 O ATOM 0 H GLU A 51 1.094 9.849 2.327 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.320 10.011 0.742 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.102 11.852 0.995 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.395 12.245 0.173 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.627 12.363 2.191 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.429 11.453 3.090 1.00 1.35 H new ATOM 828 N ASP A 52 -0.488 9.611 -1.580 1.00 0.66 N ATOM 829 CA ASP A 52 -0.273 9.021 -2.865 1.00 0.65 C ATOM 830 C ASP A 52 0.954 9.413 -3.611 1.00 0.60 C ATOM 831 O ASP A 52 1.669 8.467 -3.938 1.00 0.62 O ATOM 832 CB ASP A 52 -1.447 9.473 -3.751 1.00 0.81 C ATOM 833 CG ASP A 52 -2.784 9.025 -3.180 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.214 9.611 -2.150 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.341 7.980 -3.611 1.00 1.44 O ATOM 0 H ASP A 52 -1.438 9.977 -1.520 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.175 7.953 -2.668 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.436 10.559 -3.844 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.324 9.065 -4.754 1.00 0.81 H new ATOM 840 N GLY A 53 1.269 10.675 -3.956 1.00 0.68 N ATOM 841 CA GLY A 53 2.474 11.087 -4.606 1.00 0.73 C ATOM 842 C GLY A 53 3.703 11.347 -3.804 1.00 0.72 C ATOM 843 O GLY A 53 4.400 12.357 -3.871 1.00 0.97 O ATOM 0 H GLY A 53 0.641 11.457 -3.768 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.723 10.322 -5.342 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.249 11.999 -5.158 1.00 0.73 H new ATOM 847 N ARG A 54 3.964 10.429 -2.857 1.00 0.64 N ATOM 848 CA ARG A 54 5.224 10.326 -2.189 1.00 0.63 C ATOM 849 C ARG A 54 5.753 8.994 -2.595 1.00 0.59 C ATOM 850 O ARG A 54 5.197 8.201 -3.353 1.00 0.62 O ATOM 851 CB ARG A 54 5.074 10.341 -0.658 1.00 0.69 C ATOM 852 CG ARG A 54 4.307 11.518 -0.052 1.00 0.82 C ATOM 853 CD ARG A 54 4.968 12.882 -0.267 1.00 1.18 C ATOM 854 NE ARG A 54 3.930 13.947 -0.361 1.00 1.50 N ATOM 855 CZ ARG A 54 2.941 14.095 0.567 1.00 2.00 C ATOM 856 NH1 ARG A 54 3.209 14.002 1.903 1.00 2.49 N ATOM 857 NH2 ARG A 54 1.723 14.596 0.208 1.00 2.48 N ATOM 0 H ARG A 54 3.280 9.739 -2.547 1.00 0.64 H new ATOM 0 HA ARG A 54 5.868 11.165 -2.453 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.576 9.419 -0.356 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.071 10.323 -0.219 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.305 11.542 -0.480 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.192 11.348 1.019 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.648 13.099 0.557 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.566 12.865 -1.178 1.00 1.18 H new ATOM 0 HE ARG A 54 3.960 14.591 -1.151 1.00 1.50 H new ATOM 0 HH11 ARG A 54 4.161 13.819 2.221 1.00 2.49 H new ATOM 0 HH12 ARG A 54 2.457 14.115 2.583 1.00 2.49 H new ATOM 0 HH21 ARG A 54 1.547 14.863 -0.761 1.00 2.48 H new ATOM 0 HH22 ARG A 54 0.989 14.703 0.908 1.00 2.48 H new ATOM 871 N THR A 55 7.012 8.766 -2.178 1.00 0.63 N ATOM 872 CA THR A 55 7.698 7.528 -2.386 1.00 0.61 C ATOM 873 C THR A 55 7.870 6.759 -1.122 1.00 0.59 C ATOM 874 O THR A 55 7.597 7.208 -0.010 1.00 0.64 O ATOM 875 CB THR A 55 9.057 7.665 -3.004 1.00 0.68 C ATOM 876 OG1 THR A 55 10.019 8.405 -2.265 1.00 0.75 O ATOM 877 CG2 THR A 55 8.969 8.365 -4.371 1.00 0.76 C ATOM 0 H THR A 55 7.568 9.462 -1.682 1.00 0.63 H new ATOM 0 HA THR A 55 7.048 7.000 -3.083 1.00 0.61 H new ATOM 0 HB THR A 55 9.393 6.629 -3.055 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.561 9.023 -1.658 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.967 8.453 -4.800 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.337 7.780 -5.039 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.540 9.359 -4.244 1.00 0.76 H new ATOM 885 N LEU A 56 8.392 5.528 -1.280 1.00 0.58 N ATOM 886 CA LEU A 56 8.830 4.703 -0.198 1.00 0.59 C ATOM 887 C LEU A 56 10.079 5.161 0.473 1.00 0.64 C ATOM 888 O LEU A 56 10.216 5.082 1.693 1.00 0.70 O ATOM 889 CB LEU A 56 9.083 3.245 -0.619 1.00 0.60 C ATOM 890 CG LEU A 56 7.815 2.384 -0.750 1.00 0.63 C ATOM 891 CD1 LEU A 56 6.795 2.712 -1.853 1.00 1.05 C ATOM 892 CD2 LEU A 56 8.292 0.925 -0.680 1.00 1.03 C ATOM 0 H LEU A 56 8.513 5.093 -2.194 1.00 0.58 H new ATOM 0 HA LEU A 56 7.995 4.779 0.498 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.607 3.243 -1.575 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.747 2.781 0.110 1.00 0.60 H new ATOM 0 HG LEU A 56 7.150 2.633 0.077 1.00 0.63 H new ATOM 0 HD11 LEU A 56 5.965 2.008 -1.802 1.00 1.05 H new ATOM 0 HD12 LEU A 56 6.420 3.726 -1.712 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.276 2.635 -2.828 1.00 1.05 H new ATOM 0 HD21 LEU A 56 7.435 0.257 -0.768 1.00 1.03 H new ATOM 0 HD22 LEU A 56 8.988 0.730 -1.496 1.00 1.03 H new ATOM 0 HD23 LEU A 56 8.792 0.751 0.273 1.00 1.03 H new ATOM 904 N SER A 57 11.076 5.704 -0.249 1.00 0.68 N ATOM 905 CA SER A 57 12.252 6.267 0.339 1.00 0.75 C ATOM 906 C SER A 57 11.972 7.363 1.307 1.00 0.76 C ATOM 907 O SER A 57 12.623 7.428 2.349 1.00 0.84 O ATOM 908 CB SER A 57 13.289 6.659 -0.728 1.00 0.84 C ATOM 909 OG SER A 57 14.546 7.067 -0.209 1.00 1.19 O ATOM 0 H SER A 57 11.064 5.753 -1.268 1.00 0.68 H new ATOM 0 HA SER A 57 12.698 5.475 0.941 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.444 5.810 -1.394 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.880 7.469 -1.333 1.00 0.84 H new ATOM 0 HG SER A 57 15.146 7.297 -0.949 1.00 1.19 H new ATOM 915 N ASP A 58 11.034 8.280 1.012 1.00 0.75 N ATOM 916 CA ASP A 58 10.575 9.300 1.903 1.00 0.78 C ATOM 917 C ASP A 58 10.117 8.894 3.261 1.00 0.77 C ATOM 918 O ASP A 58 10.421 9.553 4.254 1.00 0.86 O ATOM 919 CB ASP A 58 9.405 10.036 1.227 1.00 0.83 C ATOM 920 CG ASP A 58 9.984 10.930 0.140 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.670 11.960 0.378 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.684 10.675 -1.057 1.00 1.90 O ATOM 0 H ASP A 58 10.571 8.311 0.104 1.00 0.75 H new ATOM 0 HA ASP A 58 11.464 9.904 2.082 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.701 9.322 0.800 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.854 10.630 1.957 1.00 0.83 H new ATOM 927 N TYR A 59 9.372 7.780 3.381 1.00 0.72 N ATOM 928 CA TYR A 59 8.856 7.182 4.572 1.00 0.73 C ATOM 929 C TYR A 59 9.876 6.230 5.096 1.00 0.76 C ATOM 930 O TYR A 59 9.822 5.820 6.255 1.00 0.89 O ATOM 931 CB TYR A 59 7.558 6.427 4.238 1.00 0.73 C ATOM 932 CG TYR A 59 6.552 7.454 3.848 1.00 0.67 C ATOM 933 CD1 TYR A 59 6.061 8.321 4.795 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.846 7.381 2.670 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.894 9.024 4.606 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.714 8.127 2.441 1.00 0.70 C ATOM 937 CZ TYR A 59 4.224 8.975 3.407 1.00 0.74 C ATOM 938 OH TYR A 59 3.041 9.704 3.159 1.00 0.86 O ATOM 0 H TYR A 59 9.105 7.245 2.555 1.00 0.72 H new ATOM 0 HA TYR A 59 8.640 7.944 5.321 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.721 5.718 3.427 1.00 0.73 H new ATOM 0 HB3 TYR A 59 7.212 5.854 5.098 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.609 8.454 5.716 1.00 0.74 H new ATOM 0 HD2 TYR A 59 6.194 6.713 1.896 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.498 9.624 5.412 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.204 8.046 1.492 1.00 0.70 H new ATOM 0 HH TYR A 59 3.268 10.633 2.946 1.00 0.86 H new ATOM 948 N ASN A 60 10.869 5.844 4.275 1.00 0.74 N ATOM 949 CA ASN A 60 11.897 4.944 4.695 1.00 0.79 C ATOM 950 C ASN A 60 11.382 3.551 4.821 1.00 0.75 C ATOM 951 O ASN A 60 11.556 2.879 5.836 1.00 0.86 O ATOM 952 CB ASN A 60 12.848 5.442 5.797 1.00 0.95 C ATOM 953 CG ASN A 60 13.538 6.778 5.558 1.00 1.25 C ATOM 954 OD1 ASN A 60 14.669 6.824 5.080 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.777 7.871 5.839 1.00 1.83 N ATOM 0 H ASN A 60 10.960 6.160 3.309 1.00 0.74 H new ATOM 0 HA ASN A 60 12.617 4.914 3.877 1.00 0.79 H new ATOM 0 HB2 ASN A 60 12.283 5.513 6.726 1.00 0.95 H new ATOM 0 HB3 ASN A 60 13.617 4.685 5.949 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.139 8.806 5.653 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.845 7.755 6.236 1.00 1.83 H new ATOM 962 N ILE A 61 10.660 3.032 3.812 1.00 0.67 N ATOM 963 CA ILE A 61 10.032 1.758 3.975 1.00 0.65 C ATOM 964 C ILE A 61 11.010 0.709 3.572 1.00 0.66 C ATOM 965 O ILE A 61 11.589 0.720 2.487 1.00 0.75 O ATOM 966 CB ILE A 61 8.770 1.656 3.170 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.776 2.621 3.837 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.312 0.188 3.163 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.663 3.023 2.870 1.00 0.82 C ATOM 0 H ILE A 61 10.513 3.479 2.907 1.00 0.67 H new ATOM 0 HA ILE A 61 9.744 1.623 5.018 1.00 0.65 H new ATOM 0 HB ILE A 61 8.882 1.937 2.123 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.342 2.149 4.719 1.00 0.70 H new ATOM 0 HG13 ILE A 61 8.303 3.511 4.179 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.395 0.096 2.581 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.089 -0.433 2.717 1.00 0.72 H new ATOM 0 HG23 ILE A 61 8.128 -0.141 4.186 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.976 3.706 3.370 1.00 0.82 H new ATOM 0 HD12 ILE A 61 7.097 3.517 2.001 1.00 0.82 H new ATOM 0 HD13 ILE A 61 6.121 2.133 2.549 1.00 0.82 H new ATOM 981 N GLN A 62 11.279 -0.189 4.537 1.00 0.67 N ATOM 982 CA GLN A 62 12.312 -1.143 4.278 1.00 0.70 C ATOM 983 C GLN A 62 11.850 -2.375 3.578 1.00 0.62 C ATOM 984 O GLN A 62 10.666 -2.507 3.274 1.00 0.64 O ATOM 985 CB GLN A 62 13.018 -1.518 5.592 1.00 0.85 C ATOM 986 CG GLN A 62 13.487 -0.299 6.389 1.00 1.27 C ATOM 987 CD GLN A 62 14.251 -0.740 7.630 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.382 -1.222 7.628 1.00 2.08 O ATOM 989 NE2 GLN A 62 13.559 -0.596 8.792 1.00 2.16 N ATOM 0 H GLN A 62 10.815 -0.257 5.443 1.00 0.67 H new ATOM 0 HA GLN A 62 13.006 -0.655 3.593 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.339 -2.108 6.207 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.877 -2.151 5.369 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.124 0.328 5.765 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.628 0.307 6.679 1.00 1.27 H new ATOM 0 HE21 GLN A 62 12.621 -0.195 8.781 1.00 2.16 H new ATOM 0 HE22 GLN A 62 13.978 -0.889 9.675 1.00 2.16 H new ATOM 998 N LYS A 63 12.669 -3.406 3.302 1.00 0.64 N ATOM 999 CA LYS A 63 12.335 -4.728 2.869 1.00 0.62 C ATOM 1000 C LYS A 63 11.539 -5.443 3.905 1.00 0.59 C ATOM 1001 O LYS A 63 11.841 -5.421 5.097 1.00 0.66 O ATOM 1002 CB LYS A 63 13.550 -5.473 2.290 1.00 0.74 C ATOM 1003 CG LYS A 63 14.496 -6.169 3.271 1.00 0.89 C ATOM 1004 CD LYS A 63 15.472 -7.117 2.570 1.00 1.11 C ATOM 1005 CE LYS A 63 16.312 -7.918 3.566 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.517 -9.000 4.190 1.00 2.12 N ATOM 0 H LYS A 63 13.679 -3.297 3.394 1.00 0.64 H new ATOM 0 HA LYS A 63 11.662 -4.673 2.013 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.180 -6.224 1.592 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.135 -4.759 1.710 1.00 0.74 H new ATOM 0 HG2 LYS A 63 15.059 -5.417 3.824 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.911 -6.729 4.000 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.915 -7.803 1.932 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.132 -6.542 1.920 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.175 -8.345 3.056 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.696 -7.253 4.340 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.122 -9.547 4.835 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 14.726 -8.586 4.724 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.144 -9.628 3.450 1.00 2.12 H new ATOM 1020 N GLU A 64 10.546 -6.192 3.394 1.00 0.57 N ATOM 1021 CA GLU A 64 9.626 -7.032 4.098 1.00 0.58 C ATOM 1022 C GLU A 64 8.683 -6.236 4.932 1.00 0.56 C ATOM 1023 O GLU A 64 8.290 -6.693 6.005 1.00 0.70 O ATOM 1024 CB GLU A 64 10.459 -8.117 4.800 1.00 0.72 C ATOM 1025 CG GLU A 64 11.428 -8.943 3.950 1.00 0.96 C ATOM 1026 CD GLU A 64 11.945 -10.119 4.767 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.447 -10.061 5.921 1.00 1.69 O ATOM 1028 OE2 GLU A 64 11.782 -11.240 4.216 1.00 1.71 O ATOM 0 H GLU A 64 10.372 -6.210 2.389 1.00 0.57 H new ATOM 0 HA GLU A 64 8.933 -7.555 3.439 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.035 -7.636 5.590 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.768 -8.807 5.284 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.925 -9.303 3.053 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.261 -8.321 3.621 1.00 0.96 H new ATOM 1035 N SER A 65 8.310 -4.994 4.574 1.00 0.51 N ATOM 1036 CA SER A 65 7.530 -4.135 5.408 1.00 0.51 C ATOM 1037 C SER A 65 6.061 -4.318 5.232 1.00 0.43 C ATOM 1038 O SER A 65 5.549 -4.549 4.138 1.00 0.50 O ATOM 1039 CB SER A 65 7.928 -2.660 5.234 1.00 0.65 C ATOM 1040 OG SER A 65 9.282 -2.409 5.580 1.00 1.04 O ATOM 0 H SER A 65 8.559 -4.576 3.678 1.00 0.51 H new ATOM 0 HA SER A 65 7.757 -4.431 6.432 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.762 -2.364 4.198 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.279 -2.039 5.851 1.00 0.65 H new ATOM 0 HG SER A 65 9.796 -2.213 4.769 1.00 1.04 H new ATOM 1046 N THR A 66 5.253 -4.182 6.298 1.00 0.45 N ATOM 1047 CA THR A 66 3.833 -4.342 6.219 1.00 0.45 C ATOM 1048 C THR A 66 3.117 -3.060 5.967 1.00 0.43 C ATOM 1049 O THR A 66 3.255 -2.110 6.734 1.00 0.58 O ATOM 1050 CB THR A 66 3.266 -4.940 7.472 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.969 -6.126 7.811 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.787 -5.333 7.327 1.00 0.78 C ATOM 0 H THR A 66 5.592 -3.957 7.233 1.00 0.45 H new ATOM 0 HA THR A 66 3.677 -5.013 5.375 1.00 0.45 H new ATOM 0 HB THR A 66 3.365 -4.172 8.239 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.592 -6.507 8.631 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.430 -5.760 8.264 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.198 -4.449 7.084 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.683 -6.069 6.530 1.00 0.78 H new ATOM 1060 N LEU A 67 2.363 -2.920 4.861 1.00 0.38 N ATOM 1061 CA LEU A 67 1.408 -1.876 4.663 1.00 0.38 C ATOM 1062 C LEU A 67 0.050 -2.465 4.835 1.00 0.37 C ATOM 1063 O LEU A 67 -0.227 -3.468 4.179 1.00 0.50 O ATOM 1064 CB LEU A 67 1.564 -1.168 3.306 1.00 0.46 C ATOM 1065 CG LEU A 67 3.007 -0.932 2.830 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.870 -0.466 1.370 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.758 0.170 3.594 1.00 1.31 C ATOM 0 H LEU A 67 2.423 -3.563 4.071 1.00 0.38 H new ATOM 0 HA LEU A 67 1.574 -1.092 5.402 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.045 -1.757 2.550 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.059 -0.204 3.362 1.00 0.46 H new ATOM 0 HG LEU A 67 3.577 -1.849 2.980 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.860 -0.275 0.955 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.374 -1.241 0.786 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.279 0.449 1.334 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.767 0.268 3.193 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.229 1.116 3.481 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.812 -0.092 4.651 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.779 -1.783 5.645 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.106 -2.234 5.932 1.00 0.37 C ATOM 1081 C HIS A 68 -2.948 -1.505 4.943 1.00 0.35 C ATOM 1082 O HIS A 68 -2.857 -0.297 4.735 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.607 -1.808 7.322 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.897 -2.669 8.325 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.589 -2.456 8.709 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.220 -3.848 8.923 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.188 -3.471 9.520 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.180 -4.325 9.696 1.00 1.51 N ATOM 0 H HIS A 68 -0.526 -0.909 6.106 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.143 -3.323 5.892 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.397 -0.754 7.501 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.687 -1.936 7.399 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.170 -4.348 8.807 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.796 -3.565 9.956 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.178 -5.161 10.280 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.897 -2.214 4.304 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.714 -1.780 3.215 1.00 0.38 C ATOM 1098 C LEU A 69 -6.111 -1.538 3.670 1.00 0.41 C ATOM 1099 O LEU A 69 -6.709 -2.429 4.271 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.773 -2.860 2.122 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.546 -2.435 0.861 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -4.741 -1.482 -0.038 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.938 -3.638 -0.013 1.00 1.14 C ATOM 0 H LEU A 69 -4.108 -3.174 4.576 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.273 -0.862 2.827 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.756 -3.130 1.838 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.237 -3.755 2.535 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.433 -1.930 1.245 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.336 -1.216 -0.912 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.492 -0.579 0.520 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -3.823 -1.974 -0.360 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.481 -3.288 -0.891 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.039 -4.166 -0.330 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.572 -4.313 0.561 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.601 -0.305 3.443 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.928 0.149 3.721 1.00 0.56 C ATOM 1117 C VAL A 70 -8.627 0.652 2.506 1.00 0.55 C ATOM 1118 O VAL A 70 -7.940 0.792 1.496 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.196 1.094 4.855 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.017 0.411 5.961 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.895 1.474 5.581 1.00 0.97 C ATOM 0 H VAL A 70 -6.023 0.429 3.034 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.334 -0.793 4.090 1.00 0.56 H new ATOM 0 HB VAL A 70 -8.703 1.948 4.405 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.197 1.119 6.770 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.971 0.077 5.553 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -8.466 -0.448 6.345 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.121 2.160 6.398 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.426 0.575 5.981 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.215 1.957 4.880 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.951 0.871 2.590 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.694 1.394 1.485 1.00 0.84 C ATOM 1133 C LEU A 71 -11.460 2.587 1.946 1.00 0.85 C ATOM 1134 O LEU A 71 -12.034 2.540 3.033 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.573 0.253 0.947 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.830 -1.001 0.458 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.783 -2.127 0.021 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.882 -0.704 -0.716 1.00 2.78 C ATOM 0 H LEU A 71 -10.508 0.686 3.424 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.061 1.738 0.667 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.268 -0.044 1.733 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.171 0.641 0.122 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.253 -1.329 1.323 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.202 -2.986 -0.314 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.411 -2.420 0.863 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.413 -1.774 -0.796 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.383 -1.623 -1.022 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.454 -0.305 -1.554 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.136 0.028 -0.405 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.561 3.664 1.148 1.00 0.92 N ATOM 1151 CA ARG A 72 -12.441 4.712 1.562 1.00 1.10 C ATOM 1152 C ARG A 72 -13.852 4.468 1.150 1.00 1.35 C ATOM 1153 O ARG A 72 -14.208 3.576 0.380 1.00 1.56 O ATOM 1154 CB ARG A 72 -12.002 6.072 0.992 1.00 1.34 C ATOM 1155 CG ARG A 72 -12.245 6.208 -0.513 1.00 1.65 C ATOM 1156 CD ARG A 72 -11.908 7.569 -1.126 1.00 1.99 C ATOM 1157 NE ARG A 72 -13.069 8.439 -0.786 1.00 2.54 N ATOM 1158 CZ ARG A 72 -14.092 8.717 -1.646 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -14.329 8.010 -2.789 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -15.073 9.619 -1.351 1.00 3.75 N ATOM 0 H ARG A 72 -11.067 3.808 0.268 1.00 0.92 H new ATOM 0 HA ARG A 72 -12.387 4.727 2.651 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -12.538 6.866 1.512 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -10.941 6.218 1.196 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -11.659 5.445 -1.026 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -13.294 5.992 -0.713 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -10.981 7.969 -0.715 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -11.773 7.494 -2.205 1.00 1.99 H new ATOM 0 HE ARG A 72 -13.101 8.852 0.146 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -13.725 7.227 -3.039 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -15.110 8.265 -3.394 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -15.059 10.114 -0.460 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -15.820 9.798 -2.022 1.00 3.75 H new ATOM 1174 N LEU A 73 -14.810 5.258 1.668 1.00 1.54 N ATOM 1175 CA LEU A 73 -16.191 5.229 1.299 1.00 1.93 C ATOM 1176 C LEU A 73 -16.425 6.062 0.086 1.00 2.13 C ATOM 1177 O LEU A 73 -16.522 7.287 0.132 1.00 2.57 O ATOM 1178 CB LEU A 73 -17.099 5.668 2.461 1.00 2.23 C ATOM 1179 CG LEU A 73 -16.859 4.867 3.752 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -17.922 5.352 4.751 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -16.914 3.336 3.613 1.00 3.14 C ATOM 0 H LEU A 73 -14.609 5.956 2.384 1.00 1.54 H new ATOM 0 HA LEU A 73 -16.452 4.198 1.061 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -16.935 6.727 2.662 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -18.141 5.558 2.161 1.00 2.23 H new ATOM 0 HG LEU A 73 -15.835 5.051 4.076 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -17.805 4.818 5.694 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -17.800 6.422 4.922 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -18.916 5.160 4.346 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -16.731 2.876 4.584 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -17.898 3.039 3.250 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -16.152 3.007 2.906 1.00 3.14 H new ATOM 1193 N ARG A 74 -16.697 5.378 -1.040 1.00 2.32 N ATOM 1194 CA ARG A 74 -17.187 5.963 -2.249 1.00 2.55 C ATOM 1195 C ARG A 74 -18.611 6.330 -2.005 1.00 2.58 C ATOM 1196 O ARG A 74 -19.005 7.490 -2.107 1.00 3.08 O ATOM 1197 CB ARG A 74 -17.079 4.911 -3.365 1.00 3.29 C ATOM 1198 CG ARG A 74 -17.540 5.354 -4.756 1.00 4.01 C ATOM 1199 CD ARG A 74 -17.556 4.245 -5.809 1.00 4.67 C ATOM 1200 NE ARG A 74 -16.134 3.896 -6.083 1.00 5.36 N ATOM 1201 CZ ARG A 74 -15.832 3.060 -7.118 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -16.679 2.052 -7.477 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -14.728 3.247 -7.900 1.00 6.80 N ATOM 0 H ARG A 74 -16.569 4.369 -1.110 1.00 2.32 H new ATOM 0 HA ARG A 74 -16.621 6.847 -2.545 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -16.040 4.590 -3.434 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -17.663 4.039 -3.072 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -18.543 5.773 -4.675 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -16.887 6.155 -5.102 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -18.105 3.376 -5.448 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -18.054 4.581 -6.718 1.00 4.67 H new ATOM 0 HE ARG A 74 -15.390 4.280 -5.500 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -17.553 1.915 -6.969 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -16.438 1.436 -8.253 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -14.101 4.030 -7.718 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -14.531 2.603 -8.666 1.00 6.80 H new ATOM 1217 N GLY A 75 -19.527 5.421 -1.627 1.00 2.73 N ATOM 1218 CA GLY A 75 -20.903 5.806 -1.577 1.00 3.22 C ATOM 1219 C GLY A 75 -21.693 4.560 -1.788 1.00 3.16 C ATOM 1220 O GLY A 75 -22.124 4.247 -2.897 1.00 3.57 O ATOM 0 H GLY A 75 -19.328 4.456 -1.365 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -21.145 6.262 -0.617 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -21.128 6.545 -2.346 1.00 3.22 H new ATOM 1224 N GLY A 76 -22.012 3.826 -0.707 1.00 3.14 N ATOM 1225 CA GLY A 76 -22.601 2.548 -0.960 1.00 3.37 C ATOM 1226 C GLY A 76 -21.643 1.425 -1.334 1.00 3.48 C ATOM 1227 O GLY A 76 -20.440 1.738 -1.545 1.00 3.87 O ATOM 1228 OXT GLY A 76 -22.122 0.278 -1.539 1.00 3.70 O ATOM 0 H GLY A 76 -21.877 4.088 0.269 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -23.154 2.244 -0.071 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -23.328 2.660 -1.765 1.00 3.37 H new TER 1232 GLY A 76