USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 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 55 THR OG1 : rot 115:sc= 0.78 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.684 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.28 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.003 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -179:sc=-0.00324 (180deg=-0.0144) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0333 USER MOD Single : A 14 THR OG1 : rot -76:sc= 0.488 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 2.35 (180deg=1.9) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.946 K(o=-0.95,f=-2.4) USER MOD Single : A 33 LYS NZ :NH3+ -146:sc= -0.385 (180deg=-1.85!) USER MOD Single : A 40 GLN : amide:sc= -0.939 K(o=-0.94,f=-4.5!) USER MOD Single : A 41 GLN : amide:sc= 0.591 K(o=0.59,f=-1.8) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.0291 USER MOD Single : A 60 ASN : amide:sc=-0.00131 X(o=-0.0013,f=-0.093) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc=-0.00269 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.645 3.263 -1.214 1.00 9.67 N ATOM 2 CA MET A 1 -13.203 3.637 0.148 1.00 10.38 C ATOM 3 C MET A 1 -11.874 4.307 0.209 1.00 9.62 C ATOM 4 O MET A 1 -10.925 4.098 -0.545 1.00 9.62 O ATOM 5 CB MET A 1 -13.158 2.346 0.983 1.00 13.77 C ATOM 6 CG MET A 1 -12.038 1.337 0.722 1.00 16.29 C ATOM 7 SD MET A 1 -12.136 -0.178 1.721 1.00 17.17 S ATOM 8 CE MET A 1 -10.561 -1.004 1.354 1.00 16.11 C ATOM 0 H1 MET A 1 -14.598 2.850 -1.168 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.663 4.110 -1.818 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.985 2.566 -1.614 1.00 9.67 H new ATOM 0 HA MET A 1 -13.913 4.369 0.532 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.104 2.634 2.033 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.107 1.829 0.842 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.053 1.062 -0.333 1.00 16.29 H new ATOM 0 HG3 MET A 1 -11.080 1.820 0.912 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.504 -1.942 1.907 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.498 -1.208 0.285 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.734 -0.358 1.649 1.00 16.11 H new ATOM 20 N GLN A 2 -11.731 5.288 1.118 1.00 9.27 N ATOM 21 CA GLN A 2 -10.452 5.835 1.447 1.00 9.07 C ATOM 22 C GLN A 2 -9.421 5.025 2.156 1.00 8.72 C ATOM 23 O GLN A 2 -9.785 4.651 3.270 1.00 8.22 O ATOM 24 CB GLN A 2 -10.676 7.069 2.338 1.00 14.46 C ATOM 25 CG GLN A 2 -11.631 8.018 1.613 1.00 17.01 C ATOM 26 CD GLN A 2 -11.706 9.259 2.490 1.00 20.10 C ATOM 27 OE1 GLN A 2 -11.155 10.313 2.176 1.00 21.89 O ATOM 28 NE2 GLN A 2 -12.431 9.146 3.636 1.00 19.49 N ATOM 0 H GLN A 2 -12.509 5.705 1.629 1.00 9.27 H new ATOM 0 HA GLN A 2 -10.032 5.985 0.453 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.094 6.772 3.300 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.728 7.567 2.542 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -11.262 8.262 0.617 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -12.615 7.566 1.487 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -12.877 8.260 3.872 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -12.528 9.948 4.259 1.00 19.49 H new ATOM 37 N ILE A 3 -8.228 4.770 1.591 1.00 5.87 N ATOM 38 CA ILE A 3 -7.103 4.190 2.256 1.00 5.07 C ATOM 39 C ILE A 3 -6.119 5.308 2.323 1.00 4.01 C ATOM 40 O ILE A 3 -5.814 5.969 1.332 1.00 4.61 O ATOM 41 CB ILE A 3 -6.538 2.844 1.910 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.888 2.906 0.518 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.700 1.837 1.918 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.050 1.655 0.259 1.00 10.83 C ATOM 0 H ILE A 3 -8.038 4.982 0.611 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.469 3.811 3.210 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.777 2.541 2.629 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.660 2.998 -0.246 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.259 3.793 0.444 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.323 0.845 1.670 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.155 1.815 2.908 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.446 2.137 1.182 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.598 1.718 -0.731 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.265 1.581 1.012 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.688 0.773 0.311 1.00 10.83 H new ATOM 56 N PHE A 4 -5.578 5.536 3.533 1.00 4.55 N ATOM 57 CA PHE A 4 -4.500 6.449 3.756 1.00 4.68 C ATOM 58 C PHE A 4 -3.172 5.780 3.654 1.00 5.30 C ATOM 59 O PHE A 4 -2.870 4.826 4.370 1.00 5.58 O ATOM 60 CB PHE A 4 -4.729 7.063 5.148 1.00 4.83 C ATOM 61 CG PHE A 4 -5.789 8.109 5.119 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.617 9.362 4.578 1.00 6.69 C ATOM 63 CD2 PHE A 4 -6.864 7.934 5.958 1.00 8.34 C ATOM 64 CE1 PHE A 4 -6.568 10.347 4.697 1.00 9.10 C ATOM 65 CE2 PHE A 4 -7.722 8.961 6.274 1.00 10.61 C ATOM 66 CZ PHE A 4 -7.663 10.088 5.488 1.00 8.90 C ATOM 0 H PHE A 4 -5.900 5.071 4.382 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.487 7.224 2.990 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.011 6.278 5.850 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.798 7.498 5.512 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.705 9.579 4.042 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -7.041 6.957 6.383 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -6.459 11.293 4.187 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -8.411 8.886 7.102 1.00 10.61 H new ATOM 0 HZ PHE A 4 -8.491 10.782 5.492 1.00 8.90 H new ATOM 76 N VAL A 5 -2.219 6.158 2.783 1.00 4.44 N ATOM 77 CA VAL A 5 -0.907 5.595 2.703 1.00 3.87 C ATOM 78 C VAL A 5 0.092 6.653 3.025 1.00 4.93 C ATOM 79 O VAL A 5 0.314 7.628 2.308 1.00 6.84 O ATOM 80 CB VAL A 5 -0.658 4.963 1.366 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.766 4.383 1.376 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.679 3.837 1.128 1.00 9.13 C ATOM 0 H VAL A 5 -2.373 6.897 2.097 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.811 4.791 3.433 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.761 5.700 0.569 1.00 2.99 H new ATOM 0 HG11 VAL A 5 0.975 3.916 0.414 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.484 5.184 1.554 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.850 3.638 2.167 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.496 3.379 0.156 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.578 3.083 1.909 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.688 4.250 1.151 1.00 9.13 H new ATOM 92 N LYS A 6 0.689 6.558 4.226 1.00 6.04 N ATOM 93 CA LYS A 6 1.814 7.332 4.653 1.00 6.12 C ATOM 94 C LYS A 6 3.177 6.856 4.288 1.00 6.57 C ATOM 95 O LYS A 6 3.644 5.802 4.717 1.00 5.76 O ATOM 96 CB LYS A 6 1.778 7.336 6.190 1.00 7.45 C ATOM 97 CG LYS A 6 2.938 8.029 6.908 1.00 11.12 C ATOM 98 CD LYS A 6 2.880 8.184 8.429 1.00 14.54 C ATOM 99 CE LYS A 6 4.176 8.634 9.106 1.00 18.84 C ATOM 100 NZ LYS A 6 4.093 8.447 10.571 1.00 20.55 N ATOM 0 H LYS A 6 0.368 5.904 4.940 1.00 6.04 H new ATOM 0 HA LYS A 6 1.696 8.289 4.144 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.850 7.813 6.506 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.737 6.302 6.531 1.00 7.45 H new ATOM 0 HG2 LYS A 6 3.849 7.481 6.667 1.00 11.12 H new ATOM 0 HG3 LYS A 6 3.043 9.026 6.479 1.00 11.12 H new ATOM 0 HD2 LYS A 6 2.098 8.903 8.672 1.00 14.54 H new ATOM 0 HD3 LYS A 6 2.580 7.229 8.861 1.00 14.54 H new ATOM 0 HE2 LYS A 6 5.016 8.065 8.709 1.00 18.84 H new ATOM 0 HE3 LYS A 6 4.366 9.683 8.878 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 4.982 8.758 11.012 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 3.304 9.010 10.949 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 3.934 7.442 10.784 1.00 20.55 H new ATOM 114 N THR A 7 3.934 7.552 3.421 1.00 7.41 N ATOM 115 CA THR A 7 5.342 7.419 3.212 1.00 7.48 C ATOM 116 C THR A 7 6.027 8.102 4.345 1.00 8.75 C ATOM 117 O THR A 7 5.731 9.227 4.746 1.00 8.58 O ATOM 118 CB THR A 7 5.692 8.078 1.911 1.00 9.61 C ATOM 119 OG1 THR A 7 4.765 7.750 0.886 1.00 11.78 O ATOM 120 CG2 THR A 7 7.063 7.603 1.399 1.00 9.17 C ATOM 0 H THR A 7 3.526 8.266 2.818 1.00 7.41 H new ATOM 0 HA THR A 7 5.650 6.374 3.171 1.00 7.48 H new ATOM 0 HB THR A 7 5.686 9.149 2.115 1.00 9.61 H new ATOM 0 HG1 THR A 7 5.025 8.199 0.054 1.00 11.78 H new ATOM 0 HG21 THR A 7 7.290 8.098 0.455 1.00 9.17 H new ATOM 0 HG22 THR A 7 7.831 7.851 2.132 1.00 9.17 H new ATOM 0 HG23 THR A 7 7.041 6.524 1.247 1.00 9.17 H new ATOM 128 N LEU A 8 7.059 7.476 4.938 1.00 9.84 N ATOM 129 CA LEU A 8 7.689 8.036 6.093 1.00 14.15 C ATOM 130 C LEU A 8 8.524 9.224 5.758 1.00 17.37 C ATOM 131 O LEU A 8 8.396 10.333 6.275 1.00 17.01 O ATOM 132 CB LEU A 8 8.453 7.007 6.943 1.00 16.63 C ATOM 133 CG LEU A 8 7.734 5.657 7.106 1.00 18.88 C ATOM 134 CD1 LEU A 8 8.649 4.747 7.942 1.00 18.59 C ATOM 135 CD2 LEU A 8 6.442 5.746 7.936 1.00 19.31 C ATOM 0 H LEU A 8 7.454 6.591 4.622 1.00 9.84 H new ATOM 0 HA LEU A 8 6.874 8.384 6.727 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.429 6.833 6.490 1.00 16.63 H new ATOM 0 HB3 LEU A 8 8.632 7.431 7.931 1.00 16.63 H new ATOM 0 HG LEU A 8 7.505 5.303 6.101 1.00 18.88 H new ATOM 0 HD11 LEU A 8 8.171 3.777 8.079 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.599 4.613 7.425 1.00 18.59 H new ATOM 0 HD13 LEU A 8 8.826 5.205 8.915 1.00 18.59 H new ATOM 0 HD21 LEU A 8 5.988 4.758 8.010 1.00 19.31 H new ATOM 0 HD22 LEU A 8 6.676 6.113 8.935 1.00 19.31 H new ATOM 0 HD23 LEU A 8 5.745 6.430 7.452 1.00 19.31 H new ATOM 147 N THR A 9 9.384 9.097 4.731 1.00 18.33 N ATOM 148 CA THR A 9 9.976 10.202 4.042 1.00 19.24 C ATOM 149 C THR A 9 9.118 10.508 2.863 1.00 19.48 C ATOM 150 O THR A 9 9.198 9.857 1.822 1.00 23.14 O ATOM 151 CB THR A 9 11.329 9.876 3.482 1.00 18.97 C ATOM 152 OG1 THR A 9 12.101 9.287 4.518 1.00 20.24 O ATOM 153 CG2 THR A 9 12.080 11.163 3.102 1.00 19.70 C ATOM 0 H THR A 9 9.678 8.191 4.367 1.00 18.33 H new ATOM 0 HA THR A 9 10.068 11.021 4.755 1.00 19.24 H new ATOM 0 HB THR A 9 11.197 9.228 2.615 1.00 18.97 H new ATOM 0 HG1 THR A 9 12.991 9.063 4.175 1.00 20.24 H new ATOM 0 HG21 THR A 9 13.059 10.907 2.698 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.509 11.709 2.351 1.00 19.70 H new ATOM 0 HG23 THR A 9 12.205 11.786 3.987 1.00 19.70 H new ATOM 161 N GLY A 10 8.219 11.505 2.944 1.00 19.43 N ATOM 162 CA GLY A 10 7.297 11.817 1.897 1.00 18.74 C ATOM 163 C GLY A 10 6.082 12.367 2.561 1.00 17.62 C ATOM 164 O GLY A 10 6.188 13.225 3.435 1.00 19.74 O ATOM 0 H GLY A 10 8.131 12.111 3.760 1.00 19.43 H new ATOM 0 HA2 GLY A 10 7.725 12.543 1.206 1.00 18.74 H new ATOM 0 HA3 GLY A 10 7.054 10.928 1.315 1.00 18.74 H new ATOM 168 N LYS A 11 4.869 11.840 2.314 1.00 13.56 N ATOM 169 CA LYS A 11 3.690 12.237 3.018 1.00 11.91 C ATOM 170 C LYS A 11 2.671 11.152 2.952 1.00 10.18 C ATOM 171 O LYS A 11 2.797 10.240 2.136 1.00 9.10 O ATOM 172 CB LYS A 11 3.140 13.585 2.521 1.00 13.43 C ATOM 173 CG LYS A 11 2.380 13.362 1.213 1.00 16.69 C ATOM 174 CD LYS A 11 2.152 14.706 0.518 1.00 17.92 C ATOM 175 CE LYS A 11 1.380 14.455 -0.779 1.00 20.81 C ATOM 176 NZ LYS A 11 2.143 13.738 -1.825 1.00 21.93 N ATOM 0 H LYS A 11 4.704 11.122 1.609 1.00 13.56 H new ATOM 0 HA LYS A 11 3.953 12.395 4.064 1.00 11.91 H new ATOM 0 HB2 LYS A 11 2.479 14.021 3.270 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.956 14.290 2.366 1.00 13.43 H new ATOM 0 HG2 LYS A 11 2.945 12.695 0.561 1.00 16.69 H new ATOM 0 HG3 LYS A 11 1.424 12.878 1.414 1.00 16.69 H new ATOM 0 HD2 LYS A 11 1.593 15.379 1.168 1.00 17.92 H new ATOM 0 HD3 LYS A 11 3.106 15.189 0.304 1.00 17.92 H new ATOM 0 HE2 LYS A 11 0.482 13.882 -0.546 1.00 20.81 H new ATOM 0 HE3 LYS A 11 1.051 15.413 -1.181 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 1.550 13.627 -2.672 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 2.995 14.282 -2.068 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 2.421 12.800 -1.471 1.00 21.93 H new ATOM 190 N THR A 12 1.614 11.360 3.757 1.00 9.63 N ATOM 191 CA THR A 12 0.376 10.644 3.726 1.00 9.85 C ATOM 192 C THR A 12 -0.571 11.085 2.663 1.00 11.66 C ATOM 193 O THR A 12 -1.209 12.136 2.678 1.00 12.33 O ATOM 194 CB THR A 12 -0.354 10.703 5.035 1.00 10.85 C ATOM 195 OG1 THR A 12 0.445 10.266 6.124 1.00 10.91 O ATOM 196 CG2 THR A 12 -1.476 9.652 4.994 1.00 9.63 C ATOM 0 H THR A 12 1.626 12.079 4.480 1.00 9.63 H new ATOM 0 HA THR A 12 0.689 9.624 3.505 1.00 9.85 H new ATOM 0 HB THR A 12 -0.675 11.736 5.168 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.073 10.324 6.954 1.00 10.91 H new ATOM 0 HG21 THR A 12 -2.026 9.671 5.935 1.00 9.63 H new ATOM 0 HG22 THR A 12 -2.155 9.877 4.172 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.043 8.663 4.847 1.00 9.63 H new ATOM 204 N ILE A 13 -0.643 10.240 1.619 1.00 10.42 N ATOM 205 CA ILE A 13 -1.591 10.315 0.551 1.00 11.84 C ATOM 206 C ILE A 13 -2.785 9.506 0.925 1.00 10.55 C ATOM 207 O ILE A 13 -2.799 8.663 1.822 1.00 11.92 O ATOM 208 CB ILE A 13 -1.068 9.936 -0.803 1.00 14.86 C ATOM 209 CG1 ILE A 13 -0.456 8.531 -0.936 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.029 10.967 -1.120 1.00 17.08 C ATOM 211 CD1 ILE A 13 -0.140 8.294 -2.412 1.00 16.46 C ATOM 0 H ILE A 13 0.001 9.456 1.515 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.852 11.367 0.433 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.919 9.925 -1.484 1.00 14.86 H new ATOM 0 HG12 ILE A 13 0.449 8.451 -0.334 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.151 7.776 -0.569 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.458 10.752 -2.099 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.403 11.968 -1.125 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.810 10.913 -0.361 1.00 17.08 H new ATOM 0 HD11 ILE A 13 0.296 7.303 -2.536 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -1.058 8.362 -2.996 1.00 16.46 H new ATOM 0 HD13 ILE A 13 0.567 9.048 -2.758 1.00 16.46 H new ATOM 223 N THR A 14 -3.856 9.746 0.148 1.00 9.39 N ATOM 224 CA THR A 14 -5.157 9.155 0.192 1.00 9.63 C ATOM 225 C THR A 14 -5.381 8.471 -1.113 1.00 11.20 C ATOM 226 O THR A 14 -5.234 9.075 -2.174 1.00 11.63 O ATOM 227 CB THR A 14 -6.398 9.975 0.387 1.00 10.38 C ATOM 228 OG1 THR A 14 -6.287 10.902 1.457 1.00 16.30 O ATOM 229 CG2 THR A 14 -7.582 9.058 0.736 1.00 11.66 C ATOM 0 H THR A 14 -3.799 10.438 -0.599 1.00 9.39 H new ATOM 0 HA THR A 14 -5.078 8.566 1.105 1.00 9.63 H new ATOM 0 HB THR A 14 -6.547 10.514 -0.549 1.00 10.38 H new ATOM 0 HG1 THR A 14 -6.373 10.428 2.311 1.00 16.30 H new ATOM 0 HG21 THR A 14 -8.480 9.660 0.876 1.00 11.66 H new ATOM 0 HG22 THR A 14 -7.744 8.348 -0.075 1.00 11.66 H new ATOM 0 HG23 THR A 14 -7.363 8.514 1.655 1.00 11.66 H new ATOM 237 N LEU A 15 -5.714 7.169 -1.057 1.00 8.29 N ATOM 238 CA LEU A 15 -5.924 6.419 -2.256 1.00 9.03 C ATOM 239 C LEU A 15 -7.350 5.987 -2.275 1.00 8.59 C ATOM 240 O LEU A 15 -7.888 5.342 -1.376 1.00 7.79 O ATOM 241 CB LEU A 15 -4.988 5.199 -2.262 1.00 11.08 C ATOM 242 CG LEU A 15 -3.470 5.436 -2.329 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.668 4.128 -2.442 1.00 15.27 C ATOM 244 CD2 LEU A 15 -3.123 6.230 -3.599 1.00 15.88 C ATOM 0 H LEU A 15 -5.837 6.641 -0.193 1.00 8.29 H new ATOM 0 HA LEU A 15 -5.708 7.020 -3.139 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -5.193 4.620 -1.362 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -5.263 4.575 -3.112 1.00 11.08 H new ATOM 0 HG LEU A 15 -3.212 5.960 -1.409 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.603 4.357 -2.486 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.869 3.502 -1.573 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.963 3.598 -3.348 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -2.046 6.395 -3.642 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -3.439 5.667 -4.478 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -3.637 7.191 -3.579 1.00 15.88 H new ATOM 256 N GLU A 16 -8.127 6.242 -3.342 1.00 11.04 N ATOM 257 CA GLU A 16 -9.464 5.737 -3.396 1.00 11.50 C ATOM 258 C GLU A 16 -9.644 4.387 -4.000 1.00 10.13 C ATOM 259 O GLU A 16 -9.905 4.170 -5.182 1.00 9.83 O ATOM 260 CB GLU A 16 -10.282 6.781 -4.175 1.00 17.22 C ATOM 261 CG GLU A 16 -10.379 8.164 -3.529 1.00 23.33 C ATOM 262 CD GLU A 16 -11.082 9.174 -4.424 1.00 26.99 C ATOM 263 OE1 GLU A 16 -11.189 8.962 -5.662 1.00 28.86 O ATOM 264 OE2 GLU A 16 -11.755 10.089 -3.877 1.00 28.90 O ATOM 0 H GLU A 16 -7.838 6.787 -4.154 1.00 11.04 H new ATOM 0 HA GLU A 16 -9.796 5.589 -2.368 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -9.843 6.893 -5.166 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -11.291 6.394 -4.315 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -10.917 8.084 -2.584 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.377 8.524 -3.296 1.00 23.33 H new ATOM 271 N VAL A 17 -9.670 3.372 -3.118 1.00 8.99 N ATOM 272 CA VAL A 17 -9.655 2.032 -3.616 1.00 8.85 C ATOM 273 C VAL A 17 -11.004 1.415 -3.477 1.00 8.04 C ATOM 274 O VAL A 17 -11.794 1.742 -2.593 1.00 8.99 O ATOM 275 CB VAL A 17 -8.594 1.233 -2.919 1.00 9.78 C ATOM 276 CG1 VAL A 17 -7.220 1.819 -3.284 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.870 1.189 -1.407 1.00 10.54 C ATOM 0 H VAL A 17 -9.700 3.469 -2.103 1.00 8.99 H new ATOM 0 HA VAL A 17 -9.411 2.043 -4.678 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.602 0.194 -3.249 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -6.437 1.249 -2.785 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -7.076 1.765 -4.363 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -7.171 2.860 -2.963 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -8.093 0.606 -0.912 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.872 2.203 -1.008 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.840 0.726 -1.228 1.00 10.54 H new ATOM 287 N GLU A 18 -11.281 0.337 -4.232 1.00 7.29 N ATOM 288 CA GLU A 18 -12.378 -0.531 -3.935 1.00 7.08 C ATOM 289 C GLU A 18 -11.860 -1.708 -3.181 1.00 6.45 C ATOM 290 O GLU A 18 -10.692 -2.019 -3.405 1.00 5.28 O ATOM 291 CB GLU A 18 -12.912 -0.990 -5.302 1.00 10.28 C ATOM 292 CG GLU A 18 -13.233 0.207 -6.199 1.00 12.65 C ATOM 293 CD GLU A 18 -14.051 -0.258 -7.395 1.00 14.15 C ATOM 294 OE1 GLU A 18 -13.619 -1.202 -8.110 1.00 14.33 O ATOM 295 OE2 GLU A 18 -15.160 0.321 -7.542 1.00 18.17 O ATOM 0 H GLU A 18 -10.741 0.065 -5.054 1.00 7.29 H new ATOM 0 HA GLU A 18 -13.151 -0.046 -3.339 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -12.173 -1.626 -5.790 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.809 -1.594 -5.161 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -13.787 0.958 -5.636 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -12.311 0.679 -6.537 1.00 12.65 H new ATOM 302 N PRO A 19 -12.571 -2.312 -2.275 1.00 7.24 N ATOM 303 CA PRO A 19 -12.049 -3.383 -1.478 1.00 7.07 C ATOM 304 C PRO A 19 -11.601 -4.655 -2.110 1.00 6.65 C ATOM 305 O PRO A 19 -10.983 -5.498 -1.461 1.00 6.37 O ATOM 306 CB PRO A 19 -13.182 -3.679 -0.498 1.00 7.61 C ATOM 307 CG PRO A 19 -14.441 -3.498 -1.361 1.00 8.16 C ATOM 308 CD PRO A 19 -14.017 -2.235 -2.128 1.00 7.49 C ATOM 0 HA PRO A 19 -11.099 -3.028 -1.079 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.112 -4.689 -0.093 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -13.172 -2.994 0.350 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.629 -4.348 -2.017 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -15.343 -3.349 -0.767 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.505 -2.189 -3.102 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -14.305 -1.335 -1.585 1.00 7.49 H new ATOM 316 N SER A 20 -11.936 -4.894 -3.391 1.00 6.80 N ATOM 317 CA SER A 20 -11.759 -6.177 -3.997 1.00 6.28 C ATOM 318 C SER A 20 -10.536 -6.278 -4.842 1.00 8.45 C ATOM 319 O SER A 20 -10.149 -7.391 -5.194 1.00 7.26 O ATOM 320 CB SER A 20 -12.903 -6.443 -4.990 1.00 8.57 C ATOM 321 OG SER A 20 -14.131 -6.427 -4.276 1.00 11.13 O ATOM 0 H SER A 20 -12.334 -4.190 -4.013 1.00 6.80 H new ATOM 0 HA SER A 20 -11.709 -6.873 -3.160 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.910 -5.684 -5.773 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.763 -7.406 -5.481 1.00 8.57 H new ATOM 0 HG SER A 20 -14.872 -6.593 -4.896 1.00 11.13 H new ATOM 327 N ASP A 21 -9.777 -5.207 -5.132 1.00 7.50 N ATOM 328 CA ASP A 21 -8.594 -5.322 -5.926 1.00 7.70 C ATOM 329 C ASP A 21 -7.439 -5.806 -5.118 1.00 7.08 C ATOM 330 O ASP A 21 -7.480 -5.834 -3.889 1.00 8.11 O ATOM 331 CB ASP A 21 -8.211 -3.965 -6.541 1.00 11.00 C ATOM 332 CG ASP A 21 -9.461 -3.476 -7.260 1.00 15.32 C ATOM 333 OD1 ASP A 21 -9.674 -3.930 -8.416 1.00 18.03 O ATOM 334 OD2 ASP A 21 -10.301 -2.774 -6.638 1.00 14.36 O ATOM 0 H ASP A 21 -9.983 -4.259 -4.816 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.816 -6.042 -6.714 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.900 -3.259 -5.771 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -7.376 -4.070 -7.233 1.00 11.00 H new ATOM 339 N THR A 22 -6.343 -6.081 -5.848 1.00 5.37 N ATOM 340 CA THR A 22 -5.097 -6.521 -5.301 1.00 6.01 C ATOM 341 C THR A 22 -4.122 -5.439 -4.985 1.00 8.01 C ATOM 342 O THR A 22 -4.207 -4.344 -5.538 1.00 8.11 O ATOM 343 CB THR A 22 -4.400 -7.507 -6.191 1.00 8.92 C ATOM 344 OG1 THR A 22 -4.074 -7.007 -7.480 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.341 -8.713 -6.350 1.00 9.65 C ATOM 0 H THR A 22 -6.325 -5.993 -6.864 1.00 5.37 H new ATOM 0 HA THR A 22 -5.401 -6.984 -4.362 1.00 6.01 H new ATOM 0 HB THR A 22 -3.449 -7.760 -5.722 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.622 -7.706 -7.997 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.872 -9.458 -6.993 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.540 -9.151 -5.372 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.279 -8.386 -6.798 1.00 9.65 H new ATOM 353 N ILE A 23 -3.092 -5.669 -4.152 1.00 8.32 N ATOM 354 CA ILE A 23 -2.134 -4.759 -3.605 1.00 9.92 C ATOM 355 C ILE A 23 -1.263 -4.181 -4.666 1.00 10.01 C ATOM 356 O ILE A 23 -0.745 -3.069 -4.576 1.00 8.71 O ATOM 357 CB ILE A 23 -1.403 -5.327 -2.424 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.388 -5.589 -1.272 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.260 -4.460 -1.869 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.182 -4.381 -0.777 1.00 12.30 C ATOM 0 H ILE A 23 -2.912 -6.617 -3.822 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.678 -3.911 -3.189 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.948 -6.241 -2.806 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.094 -6.355 -1.592 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.830 -6.001 -0.431 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.199 -4.964 -1.019 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.489 -4.304 -2.646 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.657 -3.497 -1.549 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.842 -4.687 0.035 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.494 -3.616 -0.416 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.777 -3.977 -1.596 1.00 12.30 H new ATOM 372 N GLU A 24 -1.039 -4.966 -5.735 1.00 9.54 N ATOM 373 CA GLU A 24 -0.299 -4.603 -6.903 1.00 11.81 C ATOM 374 C GLU A 24 -0.995 -3.596 -7.753 1.00 11.14 C ATOM 375 O GLU A 24 -0.334 -2.819 -8.441 1.00 10.62 O ATOM 376 CB GLU A 24 -0.035 -5.839 -7.780 1.00 19.24 C ATOM 377 CG GLU A 24 1.110 -5.762 -8.792 1.00 27.76 C ATOM 378 CD GLU A 24 2.439 -5.640 -8.061 1.00 32.92 C ATOM 379 OE1 GLU A 24 2.806 -4.522 -7.611 1.00 34.80 O ATOM 380 OE2 GLU A 24 3.205 -6.632 -8.185 1.00 36.51 O ATOM 0 H GLU A 24 -1.400 -5.919 -5.785 1.00 9.54 H new ATOM 0 HA GLU A 24 0.629 -4.167 -6.534 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.158 -6.684 -7.119 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.951 -6.064 -8.326 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.111 -6.652 -9.421 1.00 27.76 H new ATOM 0 HG3 GLU A 24 0.968 -4.906 -9.451 1.00 27.76 H new ATOM 387 N ASN A 25 -2.330 -3.457 -7.674 1.00 9.43 N ATOM 388 CA ASN A 25 -3.139 -2.436 -8.266 1.00 10.96 C ATOM 389 C ASN A 25 -3.146 -1.208 -7.423 1.00 9.68 C ATOM 390 O ASN A 25 -3.424 -0.143 -7.972 1.00 9.33 O ATOM 391 CB ASN A 25 -4.553 -2.967 -8.554 1.00 16.78 C ATOM 392 CG ASN A 25 -5.388 -2.035 -9.421 1.00 22.31 C ATOM 393 OD1 ASN A 25 -6.179 -1.252 -8.897 1.00 25.66 O ATOM 394 ND2 ASN A 25 -5.107 -2.050 -10.751 1.00 24.70 N ATOM 0 H ASN A 25 -2.894 -4.123 -7.146 1.00 9.43 H new ATOM 0 HA ASN A 25 -2.705 -2.152 -9.225 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.475 -3.936 -9.047 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -5.070 -3.131 -7.609 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -5.563 -1.385 -11.376 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -4.440 -2.726 -11.124 1.00 24.70 H new ATOM 401 N VAL A 26 -2.781 -1.253 -6.129 1.00 6.52 N ATOM 402 CA VAL A 26 -2.713 -0.088 -5.302 1.00 5.53 C ATOM 403 C VAL A 26 -1.348 0.490 -5.445 1.00 4.42 C ATOM 404 O VAL A 26 -1.207 1.693 -5.657 1.00 3.40 O ATOM 405 CB VAL A 26 -2.995 -0.436 -3.870 1.00 3.86 C ATOM 406 CG1 VAL A 26 -2.844 0.883 -3.092 1.00 7.25 C ATOM 407 CG2 VAL A 26 -4.398 -1.008 -3.611 1.00 8.12 C ATOM 0 H VAL A 26 -2.528 -2.116 -5.648 1.00 6.52 H new ATOM 0 HA VAL A 26 -3.465 0.638 -5.611 1.00 5.53 H new ATOM 0 HB VAL A 26 -2.307 -1.223 -3.562 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -3.036 0.705 -2.034 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -1.831 1.266 -3.217 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -3.558 1.614 -3.473 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.510 -1.230 -2.550 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -5.150 -0.278 -3.911 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.530 -1.923 -4.189 1.00 8.12 H new ATOM 417 N LYS A 27 -0.247 -0.283 -5.442 1.00 2.64 N ATOM 418 CA LYS A 27 1.083 0.171 -5.705 1.00 4.14 C ATOM 419 C LYS A 27 1.422 0.904 -6.958 1.00 5.58 C ATOM 420 O LYS A 27 2.264 1.794 -7.062 1.00 4.11 O ATOM 421 CB LYS A 27 2.051 -1.024 -5.684 1.00 3.97 C ATOM 422 CG LYS A 27 2.294 -1.674 -4.320 1.00 7.45 C ATOM 423 CD LYS A 27 2.854 -3.098 -4.326 1.00 9.02 C ATOM 424 CE LYS A 27 4.242 -3.266 -4.947 1.00 12.90 C ATOM 425 NZ LYS A 27 4.561 -4.582 -5.545 1.00 15.47 N ATOM 0 H LYS A 27 -0.289 -1.283 -5.244 1.00 2.64 H new ATOM 0 HA LYS A 27 1.174 0.914 -4.913 1.00 4.14 H new ATOM 0 HB2 LYS A 27 1.669 -1.786 -6.363 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.011 -0.694 -6.082 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.981 -1.041 -3.759 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.351 -1.682 -3.774 1.00 7.45 H new ATOM 0 HD2 LYS A 27 2.891 -3.458 -3.298 1.00 9.02 H new ATOM 0 HD3 LYS A 27 2.156 -3.740 -4.863 1.00 9.02 H new ATOM 0 HE2 LYS A 27 4.361 -2.506 -5.720 1.00 12.90 H new ATOM 0 HE3 LYS A 27 4.984 -3.056 -4.177 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.592 -4.717 -5.557 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.120 -5.336 -4.981 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.196 -4.619 -6.518 1.00 15.47 H new ATOM 439 N ALA A 28 0.566 0.623 -7.956 1.00 6.61 N ATOM 440 CA ALA A 28 0.534 1.157 -9.283 1.00 7.74 C ATOM 441 C ALA A 28 0.101 2.580 -9.354 1.00 9.17 C ATOM 442 O ALA A 28 0.372 3.344 -10.279 1.00 11.45 O ATOM 443 CB ALA A 28 -0.170 0.142 -10.199 1.00 7.68 C ATOM 0 H ALA A 28 -0.185 -0.053 -7.815 1.00 6.61 H new ATOM 0 HA ALA A 28 1.544 1.265 -9.678 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -0.204 0.532 -11.216 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.380 -0.799 -10.190 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.186 -0.028 -9.841 1.00 7.68 H new ATOM 449 N LYS A 29 -0.747 3.015 -8.404 1.00 8.96 N ATOM 450 CA LYS A 29 -1.311 4.327 -8.346 1.00 7.90 C ATOM 451 C LYS A 29 -0.333 5.194 -7.630 1.00 6.92 C ATOM 452 O LYS A 29 -0.130 6.345 -8.014 1.00 6.87 O ATOM 453 CB LYS A 29 -2.672 4.489 -7.647 1.00 10.28 C ATOM 454 CG LYS A 29 -3.815 3.650 -8.220 1.00 14.94 C ATOM 455 CD LYS A 29 -4.008 4.009 -9.694 1.00 19.69 C ATOM 456 CE LYS A 29 -5.304 3.389 -10.220 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.323 1.909 -10.228 1.00 24.98 N ATOM 0 H LYS A 29 -1.055 2.418 -7.636 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.504 4.595 -9.385 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -2.552 4.235 -6.594 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -2.959 5.540 -7.690 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -3.590 2.588 -8.118 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -4.734 3.836 -7.664 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.040 5.092 -9.811 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.161 3.650 -10.278 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -6.135 3.746 -9.611 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.476 3.746 -11.235 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.236 1.576 -10.598 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -4.554 1.555 -10.832 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -5.193 1.555 -9.259 1.00 24.98 H new ATOM 471 N ILE A 30 0.382 4.651 -6.629 1.00 4.57 N ATOM 472 CA ILE A 30 1.521 5.174 -5.939 1.00 5.58 C ATOM 473 C ILE A 30 2.632 5.562 -6.853 1.00 7.26 C ATOM 474 O ILE A 30 3.005 6.734 -6.869 1.00 9.46 O ATOM 475 CB ILE A 30 2.030 4.327 -4.811 1.00 5.36 C ATOM 476 CG1 ILE A 30 0.896 3.885 -3.871 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.053 5.117 -3.977 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.288 3.072 -2.639 1.00 2.00 C ATOM 0 H ILE A 30 0.128 3.734 -6.261 1.00 4.57 H new ATOM 0 HA ILE A 30 1.130 6.080 -5.475 1.00 5.58 H new ATOM 0 HB ILE A 30 2.489 3.445 -5.258 1.00 5.36 H new ATOM 0 HG12 ILE A 30 0.370 4.778 -3.533 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.186 3.297 -4.452 1.00 2.94 H new ATOM 0 HG21 ILE A 30 3.416 4.493 -3.161 1.00 2.78 H new ATOM 0 HG22 ILE A 30 3.890 5.410 -4.610 1.00 2.78 H new ATOM 0 HG23 ILE A 30 2.578 6.009 -3.568 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.394 2.827 -2.065 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.781 2.152 -2.952 1.00 2.00 H new ATOM 0 HD13 ILE A 30 1.969 3.656 -2.019 1.00 2.00 H new ATOM 490 N GLN A 31 3.078 4.668 -7.754 1.00 7.06 N ATOM 491 CA GLN A 31 3.936 4.823 -8.888 1.00 8.67 C ATOM 492 C GLN A 31 3.590 5.861 -9.899 1.00 10.90 C ATOM 493 O GLN A 31 4.455 6.679 -10.209 1.00 9.63 O ATOM 494 CB GLN A 31 3.918 3.432 -9.543 1.00 9.12 C ATOM 495 CG GLN A 31 5.096 3.264 -10.505 1.00 10.76 C ATOM 496 CD GLN A 31 5.135 1.855 -11.080 1.00 13.78 C ATOM 497 OE1 GLN A 31 4.652 0.851 -10.561 1.00 14.48 O ATOM 498 NE2 GLN A 31 5.720 1.702 -12.298 1.00 14.76 N ATOM 0 H GLN A 31 2.790 3.693 -7.668 1.00 7.06 H new ATOM 0 HA GLN A 31 4.901 5.184 -8.531 1.00 8.67 H new ATOM 0 HB2 GLN A 31 3.961 2.663 -8.772 1.00 9.12 H new ATOM 0 HB3 GLN A 31 2.981 3.292 -10.082 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.015 3.989 -11.315 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.029 3.473 -9.982 1.00 10.76 H new ATOM 0 HE21 GLN A 31 6.135 2.506 -12.769 1.00 14.76 H new ATOM 0 HE22 GLN A 31 5.744 0.783 -12.741 1.00 14.76 H new ATOM 507 N ASP A 32 2.353 5.962 -10.418 1.00 10.93 N ATOM 508 CA ASP A 32 1.835 7.086 -11.134 1.00 14.01 C ATOM 509 C ASP A 32 1.989 8.342 -10.347 1.00 14.04 C ATOM 510 O ASP A 32 2.432 9.368 -10.861 1.00 13.39 O ATOM 511 CB ASP A 32 0.403 6.773 -11.599 1.00 18.01 C ATOM 512 CG ASP A 32 0.297 5.816 -12.778 1.00 24.33 C ATOM 513 OD1 ASP A 32 1.218 5.851 -13.638 1.00 25.17 O ATOM 514 OD2 ASP A 32 -0.700 5.061 -12.927 1.00 26.29 O ATOM 0 H ASP A 32 1.671 5.209 -10.331 1.00 10.93 H new ATOM 0 HA ASP A 32 2.415 7.269 -12.039 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -0.150 6.352 -10.759 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -0.087 7.709 -11.867 1.00 18.01 H new ATOM 519 N LYS A 33 1.427 8.415 -9.127 1.00 14.22 N ATOM 520 CA LYS A 33 1.149 9.599 -8.375 1.00 14.00 C ATOM 521 C LYS A 33 2.310 10.233 -7.689 1.00 12.37 C ATOM 522 O LYS A 33 2.559 11.433 -7.800 1.00 12.17 O ATOM 523 CB LYS A 33 -0.044 9.399 -7.425 1.00 18.62 C ATOM 524 CG LYS A 33 -0.585 10.566 -6.597 1.00 24.00 C ATOM 525 CD LYS A 33 -1.825 10.206 -5.777 1.00 27.61 C ATOM 526 CE LYS A 33 -3.037 10.268 -6.709 1.00 27.64 C ATOM 527 NZ LYS A 33 -3.148 11.625 -7.289 1.00 30.06 N ATOM 0 H LYS A 33 1.144 7.573 -8.626 1.00 14.22 H new ATOM 0 HA LYS A 33 0.877 10.332 -9.135 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -0.872 9.020 -8.024 1.00 18.62 H new ATOM 0 HB3 LYS A 33 0.231 8.610 -6.726 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.197 10.918 -5.924 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -0.827 11.393 -7.264 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.723 9.209 -5.349 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.947 10.899 -4.945 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.936 9.529 -7.504 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -3.945 10.021 -6.158 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -4.151 11.867 -7.416 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.704 12.314 -6.648 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.667 11.649 -8.211 1.00 30.06 H new ATOM 541 N GLU A 34 3.036 9.466 -6.857 1.00 10.11 N ATOM 542 CA GLU A 34 4.172 10.038 -6.204 1.00 10.07 C ATOM 543 C GLU A 34 5.437 9.840 -6.966 1.00 9.32 C ATOM 544 O GLU A 34 6.321 10.695 -6.972 1.00 11.61 O ATOM 545 CB GLU A 34 4.346 9.457 -4.791 1.00 14.77 C ATOM 546 CG GLU A 34 3.155 9.811 -3.898 1.00 18.75 C ATOM 547 CD GLU A 34 3.240 11.244 -3.391 1.00 22.28 C ATOM 548 OE1 GLU A 34 3.005 12.306 -4.026 1.00 21.95 O ATOM 549 OE2 GLU A 34 3.564 11.305 -2.175 1.00 25.19 O ATOM 0 H GLU A 34 2.848 8.487 -6.641 1.00 10.11 H new ATOM 0 HA GLU A 34 3.975 11.108 -6.146 1.00 10.07 H new ATOM 0 HB2 GLU A 34 4.450 8.374 -4.850 1.00 14.77 H new ATOM 0 HB3 GLU A 34 5.264 9.842 -4.347 1.00 14.77 H new ATOM 0 HG2 GLU A 34 2.229 9.676 -4.456 1.00 18.75 H new ATOM 0 HG3 GLU A 34 3.119 9.126 -3.051 1.00 18.75 H new ATOM 556 N GLY A 35 5.589 8.682 -7.634 1.00 7.22 N ATOM 557 CA GLY A 35 6.760 8.332 -8.376 1.00 6.29 C ATOM 558 C GLY A 35 7.693 7.566 -7.502 1.00 6.93 C ATOM 559 O GLY A 35 8.807 8.024 -7.254 1.00 7.41 O ATOM 0 H GLY A 35 4.867 7.961 -7.658 1.00 7.22 H new ATOM 0 HA2 GLY A 35 6.487 7.735 -9.246 1.00 6.29 H new ATOM 0 HA3 GLY A 35 7.250 9.232 -8.748 1.00 6.29 H new ATOM 563 N ILE A 36 7.308 6.324 -7.157 1.00 5.86 N ATOM 564 CA ILE A 36 8.149 5.390 -6.476 1.00 6.07 C ATOM 565 C ILE A 36 7.854 4.116 -7.190 1.00 6.36 C ATOM 566 O ILE A 36 6.664 3.827 -7.303 1.00 6.18 O ATOM 567 CB ILE A 36 7.762 5.258 -5.033 1.00 7.47 C ATOM 568 CG1 ILE A 36 7.823 6.555 -4.208 1.00 8.52 C ATOM 569 CG2 ILE A 36 8.753 4.327 -4.314 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.363 6.575 -2.752 1.00 9.49 C ATOM 0 H ILE A 36 6.378 5.958 -7.360 1.00 5.86 H new ATOM 0 HA ILE A 36 9.199 5.681 -6.483 1.00 6.07 H new ATOM 0 HB ILE A 36 6.733 4.902 -5.078 1.00 7.47 H new ATOM 0 HG12 ILE A 36 8.858 6.896 -4.222 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.234 7.302 -4.741 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.469 4.233 -3.266 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.735 3.344 -4.784 1.00 7.36 H new ATOM 0 HG23 ILE A 36 9.758 4.743 -4.382 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.485 7.579 -2.346 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.313 6.286 -2.698 1.00 9.49 H new ATOM 0 HD13 ILE A 36 7.962 5.874 -2.171 1.00 9.49 H new ATOM 582 N PRO A 37 8.752 3.377 -7.771 1.00 8.65 N ATOM 583 CA PRO A 37 8.475 2.144 -8.448 1.00 9.18 C ATOM 584 C PRO A 37 8.148 1.049 -7.492 1.00 9.85 C ATOM 585 O PRO A 37 8.415 1.172 -6.298 1.00 8.51 O ATOM 586 CB PRO A 37 9.759 1.930 -9.248 1.00 11.42 C ATOM 587 CG PRO A 37 10.849 2.395 -8.268 1.00 9.27 C ATOM 588 CD PRO A 37 10.179 3.642 -7.668 1.00 8.33 C ATOM 0 HA PRO A 37 7.593 2.160 -9.088 1.00 9.18 H new ATOM 0 HB2 PRO A 37 9.889 0.886 -9.533 1.00 11.42 H new ATOM 0 HB3 PRO A 37 9.765 2.515 -10.168 1.00 11.42 H new ATOM 0 HG2 PRO A 37 11.075 1.642 -7.512 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.786 2.631 -8.773 1.00 9.27 H new ATOM 0 HD2 PRO A 37 10.480 3.794 -6.632 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.456 4.543 -8.216 1.00 8.33 H new ATOM 596 N PRO A 38 7.577 -0.014 -7.977 1.00 8.71 N ATOM 597 CA PRO A 38 6.900 -0.979 -7.161 1.00 9.08 C ATOM 598 C PRO A 38 7.789 -2.007 -6.550 1.00 9.28 C ATOM 599 O PRO A 38 7.279 -2.736 -5.700 1.00 6.50 O ATOM 600 CB PRO A 38 5.821 -1.602 -8.043 1.00 10.31 C ATOM 601 CG PRO A 38 6.437 -1.565 -9.451 1.00 10.81 C ATOM 602 CD PRO A 38 7.392 -0.363 -9.377 1.00 12.00 C ATOM 0 HA PRO A 38 6.473 -0.478 -6.292 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.590 -2.621 -7.734 1.00 10.31 H new ATOM 0 HB3 PRO A 38 4.890 -1.036 -7.998 1.00 10.31 H new ATOM 0 HG2 PRO A 38 6.967 -2.488 -9.684 1.00 10.81 H new ATOM 0 HG3 PRO A 38 5.677 -1.430 -10.221 1.00 10.81 H new ATOM 0 HD2 PRO A 38 8.349 -0.609 -9.837 1.00 12.00 H new ATOM 0 HD3 PRO A 38 6.982 0.483 -9.928 1.00 12.00 H new ATOM 610 N ASP A 39 9.111 -2.004 -6.798 1.00 11.20 N ATOM 611 CA ASP A 39 10.119 -2.828 -6.208 1.00 14.96 C ATOM 612 C ASP A 39 10.728 -2.123 -5.045 1.00 13.99 C ATOM 613 O ASP A 39 11.346 -2.713 -4.160 1.00 13.75 O ATOM 614 CB ASP A 39 11.150 -3.295 -7.249 1.00 24.16 C ATOM 615 CG ASP A 39 11.872 -2.172 -7.979 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.165 -1.367 -8.643 1.00 34.22 O ATOM 617 OD2 ASP A 39 13.130 -2.132 -7.912 1.00 35.55 O ATOM 0 H ASP A 39 9.510 -1.359 -7.480 1.00 11.20 H new ATOM 0 HA ASP A 39 9.661 -3.742 -5.829 1.00 14.96 H new ATOM 0 HB2 ASP A 39 11.891 -3.921 -6.751 1.00 24.16 H new ATOM 0 HB3 ASP A 39 10.645 -3.922 -7.984 1.00 24.16 H new ATOM 622 N GLN A 40 10.574 -0.787 -5.004 1.00 11.60 N ATOM 623 CA GLN A 40 11.020 0.028 -3.918 1.00 10.76 C ATOM 624 C GLN A 40 10.033 0.093 -2.804 1.00 8.01 C ATOM 625 O GLN A 40 10.282 0.303 -1.617 1.00 8.96 O ATOM 626 CB GLN A 40 11.346 1.439 -4.434 1.00 11.14 C ATOM 627 CG GLN A 40 12.391 2.091 -3.526 1.00 14.85 C ATOM 628 CD GLN A 40 12.650 3.514 -3.999 1.00 16.11 C ATOM 629 OE1 GLN A 40 11.975 4.456 -3.587 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.723 3.748 -4.800 1.00 18.16 N ATOM 0 H GLN A 40 10.125 -0.258 -5.751 1.00 11.60 H new ATOM 0 HA GLN A 40 11.919 -0.433 -3.508 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.721 1.385 -5.456 1.00 11.14 H new ATOM 0 HB3 GLN A 40 10.441 2.046 -4.458 1.00 11.14 H new ATOM 0 HG2 GLN A 40 12.040 2.097 -2.494 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.316 1.515 -3.545 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.284 2.968 -5.142 1.00 18.16 H new ATOM 0 HE22 GLN A 40 13.968 4.704 -5.059 1.00 18.16 H new ATOM 639 N GLN A 41 8.751 0.050 -3.206 1.00 6.52 N ATOM 640 CA GLN A 41 7.599 0.054 -2.357 1.00 3.87 C ATOM 641 C GLN A 41 7.330 -1.165 -1.545 1.00 4.79 C ATOM 642 O GLN A 41 7.562 -2.327 -1.875 1.00 6.34 O ATOM 643 CB GLN A 41 6.329 0.234 -3.205 1.00 4.20 C ATOM 644 CG GLN A 41 6.245 1.616 -3.857 1.00 3.20 C ATOM 645 CD GLN A 41 4.906 1.760 -4.565 1.00 4.89 C ATOM 646 OE1 GLN A 41 3.800 1.518 -4.084 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.035 2.130 -5.867 1.00 7.13 N ATOM 0 H GLN A 41 8.502 0.010 -4.194 1.00 6.52 H new ATOM 0 HA GLN A 41 7.831 0.865 -1.667 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.304 -0.531 -3.981 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.452 0.080 -2.576 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.355 2.394 -3.102 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.061 1.745 -4.568 1.00 3.20 H new ATOM 0 HE21 GLN A 41 5.959 2.328 -6.252 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.208 2.210 -6.459 1.00 7.13 H new ATOM 656 N ARG A 42 6.828 -1.036 -0.303 1.00 5.73 N ATOM 657 CA ARG A 42 6.526 -2.130 0.567 1.00 6.97 C ATOM 658 C ARG A 42 5.470 -1.513 1.419 1.00 7.15 C ATOM 659 O ARG A 42 5.790 -0.539 2.099 1.00 7.33 O ATOM 660 CB ARG A 42 7.684 -2.706 1.398 1.00 13.23 C ATOM 661 CG ARG A 42 7.452 -3.472 2.703 1.00 21.27 C ATOM 662 CD ARG A 42 8.737 -3.769 3.478 1.00 26.14 C ATOM 663 NE ARG A 42 9.414 -4.884 2.760 1.00 32.26 N ATOM 664 CZ ARG A 42 10.564 -5.526 3.121 1.00 34.32 C ATOM 665 NH1 ARG A 42 11.352 -5.064 4.136 1.00 35.30 N ATOM 666 NH2 ARG A 42 11.074 -6.475 2.283 1.00 36.39 N ATOM 0 H ARG A 42 6.624 -0.127 0.113 1.00 5.73 H new ATOM 0 HA ARG A 42 6.242 -3.022 0.008 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.241 -3.372 0.739 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.342 -1.871 1.638 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.780 -2.895 3.338 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.948 -4.412 2.478 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.378 -2.888 3.519 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.514 -4.049 4.507 1.00 26.14 H new ATOM 0 HE ARG A 42 8.968 -5.205 1.901 1.00 32.26 H new ATOM 0 HH11 ARG A 42 11.086 -4.221 4.644 1.00 35.30 H new ATOM 0 HH12 ARG A 42 12.206 -5.562 4.386 1.00 35.30 H new ATOM 0 HH21 ARG A 42 10.597 -6.692 1.408 1.00 36.39 H new ATOM 0 HH22 ARG A 42 11.932 -6.967 2.532 1.00 36.39 H new ATOM 680 N LEU A 43 4.247 -2.057 1.549 1.00 4.65 N ATOM 681 CA LEU A 43 3.084 -1.540 2.201 1.00 3.51 C ATOM 682 C LEU A 43 2.955 -2.244 3.508 1.00 5.56 C ATOM 683 O LEU A 43 2.965 -3.474 3.507 1.00 4.19 O ATOM 684 CB LEU A 43 1.715 -1.648 1.509 1.00 3.74 C ATOM 685 CG LEU A 43 1.323 -0.502 0.561 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.012 -0.822 -0.132 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.170 0.858 1.263 1.00 9.55 C ATOM 0 H LEU A 43 4.054 -2.974 1.145 1.00 4.65 H new ATOM 0 HA LEU A 43 3.278 -0.468 2.235 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.693 -2.579 0.943 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.950 -1.727 2.281 1.00 3.74 H new ATOM 0 HG LEU A 43 2.142 -0.423 -0.154 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.280 -0.004 -0.801 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.088 -1.743 -0.707 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.792 -0.946 0.620 1.00 6.41 H new ATOM 0 HD21 LEU A 43 0.893 1.616 0.531 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.394 0.789 2.025 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.115 1.134 1.731 1.00 9.55 H new ATOM 699 N ILE A 44 2.843 -1.501 4.623 1.00 4.58 N ATOM 700 CA ILE A 44 2.839 -2.137 5.904 1.00 5.55 C ATOM 701 C ILE A 44 1.522 -1.823 6.527 1.00 5.46 C ATOM 702 O ILE A 44 1.020 -0.708 6.399 1.00 6.04 O ATOM 703 CB ILE A 44 3.914 -1.545 6.766 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.314 -1.837 6.201 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.760 -1.898 8.255 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.643 -3.323 6.061 1.00 13.90 C ATOM 0 H ILE A 44 2.757 -0.485 4.641 1.00 4.58 H new ATOM 0 HA ILE A 44 3.007 -3.209 5.805 1.00 5.55 H new ATOM 0 HB ILE A 44 3.790 -0.463 6.732 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.403 -1.364 5.223 1.00 10.31 H new ATOM 0 HG13 ILE A 44 6.058 -1.372 6.849 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.569 -1.439 8.823 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.803 -1.525 8.620 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.799 -2.980 8.378 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.648 -3.436 5.656 1.00 13.90 H new ATOM 0 HD12 ILE A 44 5.590 -3.801 7.039 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.925 -3.793 5.388 1.00 13.90 H new ATOM 718 N PHE A 45 0.853 -2.849 7.084 1.00 6.75 N ATOM 719 CA PHE A 45 -0.403 -2.712 7.755 1.00 4.70 C ATOM 720 C PHE A 45 -0.089 -2.850 9.205 1.00 6.34 C ATOM 721 O PHE A 45 -0.044 -3.968 9.714 1.00 5.45 O ATOM 722 CB PHE A 45 -1.438 -3.756 7.305 1.00 5.51 C ATOM 723 CG PHE A 45 -2.824 -3.470 7.774 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.275 -2.232 8.166 1.00 6.86 C ATOM 725 CD2 PHE A 45 -3.760 -4.474 7.698 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.606 -2.004 8.428 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.108 -4.249 7.846 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.534 -2.996 8.217 1.00 6.84 C ATOM 0 H PHE A 45 1.199 -3.808 7.066 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.863 -1.752 7.521 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.437 -3.810 6.216 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.135 -4.736 7.673 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.569 -1.421 8.270 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.422 -5.483 7.514 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -4.923 -1.041 8.801 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -5.820 -5.043 7.674 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.587 -2.793 8.342 1.00 6.84 H new ATOM 738 N ALA A 46 0.136 -1.730 9.915 1.00 6.53 N ATOM 739 CA ALA A 46 0.607 -1.632 11.262 1.00 7.15 C ATOM 740 C ALA A 46 1.946 -2.240 11.502 1.00 9.00 C ATOM 741 O ALA A 46 2.999 -1.605 11.537 1.00 11.15 O ATOM 742 CB ALA A 46 -0.429 -2.205 12.243 1.00 8.99 C ATOM 0 H ALA A 46 -0.027 -0.810 9.507 1.00 6.53 H new ATOM 0 HA ALA A 46 0.738 -0.565 11.441 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -0.051 -2.121 13.262 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -1.361 -1.647 12.155 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -0.610 -3.254 12.009 1.00 8.99 H new ATOM 748 N GLY A 47 1.992 -3.558 11.767 1.00 9.35 N ATOM 749 CA GLY A 47 3.202 -4.275 12.026 1.00 11.68 C ATOM 750 C GLY A 47 3.360 -5.459 11.136 1.00 11.14 C ATOM 751 O GLY A 47 4.349 -6.187 11.211 1.00 13.93 O ATOM 0 H GLY A 47 1.158 -4.145 11.802 1.00 9.35 H new ATOM 0 HA2 GLY A 47 4.053 -3.607 11.893 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.213 -4.601 13.066 1.00 11.68 H new ATOM 755 N LYS A 48 2.360 -5.693 10.267 1.00 10.47 N ATOM 756 CA LYS A 48 2.394 -6.649 9.204 1.00 8.82 C ATOM 757 C LYS A 48 2.892 -6.151 7.891 1.00 7.68 C ATOM 758 O LYS A 48 2.605 -4.987 7.616 1.00 6.47 O ATOM 759 CB LYS A 48 1.022 -7.322 9.032 1.00 9.74 C ATOM 760 CG LYS A 48 0.526 -7.867 10.373 1.00 14.14 C ATOM 761 CD LYS A 48 -0.973 -8.176 10.360 1.00 16.32 C ATOM 762 CE LYS A 48 -1.836 -6.915 10.433 1.00 20.04 C ATOM 763 NZ LYS A 48 -3.254 -7.339 10.459 1.00 23.92 N ATOM 0 H LYS A 48 1.477 -5.185 10.310 1.00 10.47 H new ATOM 0 HA LYS A 48 3.141 -7.375 9.525 1.00 8.82 H new ATOM 0 HB2 LYS A 48 0.304 -6.604 8.636 1.00 9.74 H new ATOM 0 HB3 LYS A 48 1.095 -8.133 8.307 1.00 9.74 H new ATOM 0 HG2 LYS A 48 1.079 -8.773 10.620 1.00 14.14 H new ATOM 0 HG3 LYS A 48 0.737 -7.141 11.158 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -1.218 -8.727 9.452 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -1.213 -8.825 11.202 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -1.594 -6.337 11.325 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -1.645 -6.271 9.574 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -3.866 -6.500 10.509 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -3.472 -7.876 9.595 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -3.422 -7.940 11.291 1.00 23.92 H new ATOM 777 N GLN A 49 3.566 -6.930 7.026 1.00 8.89 N ATOM 778 CA GLN A 49 3.911 -6.570 5.686 1.00 7.18 C ATOM 779 C GLN A 49 2.878 -7.217 4.829 1.00 8.23 C ATOM 780 O GLN A 49 2.351 -8.322 4.943 1.00 9.70 O ATOM 781 CB GLN A 49 5.262 -7.231 5.366 1.00 11.67 C ATOM 782 CG GLN A 49 5.803 -7.115 3.939 1.00 15.82 C ATOM 783 CD GLN A 49 7.096 -7.913 3.853 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.209 -8.959 3.216 1.00 23.23 O ATOM 785 NE2 GLN A 49 8.170 -7.460 4.553 1.00 20.67 N ATOM 0 H GLN A 49 3.888 -7.865 7.277 1.00 8.89 H new ATOM 0 HA GLN A 49 3.965 -5.492 5.537 1.00 7.18 H new ATOM 0 HB2 GLN A 49 6.007 -6.809 6.040 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.179 -8.291 5.606 1.00 11.67 H new ATOM 0 HG2 GLN A 49 5.073 -7.495 3.224 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.984 -6.071 3.685 1.00 15.82 H new ATOM 0 HE21 GLN A 49 8.101 -6.595 5.089 1.00 20.67 H new ATOM 0 HE22 GLN A 49 9.044 -7.985 4.542 1.00 20.67 H new ATOM 794 N LEU A 50 2.438 -6.445 3.819 1.00 6.51 N ATOM 795 CA LEU A 50 1.589 -6.929 2.776 1.00 7.41 C ATOM 796 C LEU A 50 2.321 -7.502 1.611 1.00 8.27 C ATOM 797 O LEU A 50 3.452 -7.112 1.324 1.00 8.34 O ATOM 798 CB LEU A 50 0.824 -5.709 2.236 1.00 7.13 C ATOM 799 CG LEU A 50 -0.170 -4.985 3.160 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.154 -4.002 2.504 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.124 -5.941 3.896 1.00 8.14 C ATOM 0 H LEU A 50 2.679 -5.458 3.726 1.00 6.51 H new ATOM 0 HA LEU A 50 0.969 -7.718 3.201 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.562 -4.977 1.907 1.00 7.13 H new ATOM 0 HB3 LEU A 50 0.276 -6.030 1.350 1.00 7.13 H new ATOM 0 HG LEU A 50 0.542 -4.460 3.796 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.795 -3.564 3.269 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.597 -3.212 2.001 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.768 -4.533 1.777 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.798 -5.365 4.530 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -1.705 -6.507 3.168 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -0.545 -6.629 4.512 1.00 8.14 H new ATOM 813 N GLU A 51 1.640 -8.449 0.942 1.00 9.43 N ATOM 814 CA GLU A 51 2.178 -9.075 -0.225 1.00 11.90 C ATOM 815 C GLU A 51 1.346 -8.767 -1.422 1.00 11.49 C ATOM 816 O GLU A 51 0.228 -8.270 -1.298 1.00 9.88 O ATOM 817 CB GLU A 51 2.301 -10.591 0.007 1.00 16.56 C ATOM 818 CG GLU A 51 3.372 -11.073 0.988 1.00 26.06 C ATOM 819 CD GLU A 51 3.105 -12.515 1.395 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.181 -13.391 0.493 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.905 -12.789 2.609 1.00 33.44 O ATOM 0 H GLU A 51 0.714 -8.782 1.210 1.00 9.43 H new ATOM 0 HA GLU A 51 3.175 -8.678 -0.416 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.336 -10.957 0.357 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.491 -11.064 -0.957 1.00 16.56 H new ATOM 0 HG2 GLU A 51 4.357 -10.994 0.529 1.00 26.06 H new ATOM 0 HG3 GLU A 51 3.380 -10.434 1.871 1.00 26.06 H new ATOM 828 N ASP A 52 1.890 -8.858 -2.648 1.00 12.71 N ATOM 829 CA ASP A 52 1.290 -8.252 -3.796 1.00 16.56 C ATOM 830 C ASP A 52 -0.053 -8.728 -4.231 1.00 15.83 C ATOM 831 O ASP A 52 -0.965 -7.969 -4.551 1.00 17.21 O ATOM 832 CB ASP A 52 2.250 -8.280 -4.998 1.00 21.05 C ATOM 833 CG ASP A 52 3.594 -7.679 -4.613 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.572 -6.539 -4.077 1.00 28.37 O ATOM 835 OD2 ASP A 52 4.676 -8.238 -4.935 1.00 25.82 O ATOM 0 H ASP A 52 2.757 -9.358 -2.846 1.00 12.71 H new ATOM 0 HA ASP A 52 1.101 -7.240 -3.437 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.387 -9.306 -5.339 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.819 -7.722 -5.830 1.00 21.05 H new ATOM 840 N GLY A 53 -0.190 -10.059 -4.375 1.00 15.00 N ATOM 841 CA GLY A 53 -1.229 -10.687 -5.131 1.00 11.77 C ATOM 842 C GLY A 53 -2.561 -10.872 -4.488 1.00 11.10 C ATOM 843 O GLY A 53 -3.499 -11.350 -5.123 1.00 11.25 O ATOM 0 H GLY A 53 0.451 -10.726 -3.946 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.377 -10.104 -6.040 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -0.869 -11.669 -5.438 1.00 11.77 H new ATOM 847 N ARG A 54 -2.698 -10.473 -3.211 1.00 8.53 N ATOM 848 CA ARG A 54 -3.837 -10.767 -2.397 1.00 9.05 C ATOM 849 C ARG A 54 -4.686 -9.544 -2.351 1.00 8.96 C ATOM 850 O ARG A 54 -4.281 -8.406 -2.578 1.00 11.60 O ATOM 851 CB ARG A 54 -3.449 -11.272 -0.997 1.00 7.97 C ATOM 852 CG ARG A 54 -2.733 -12.622 -1.069 1.00 9.62 C ATOM 853 CD ARG A 54 -2.148 -13.057 0.276 1.00 12.20 C ATOM 854 NE ARG A 54 -3.250 -13.395 1.220 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.028 -13.095 2.533 1.00 22.08 C ATOM 856 NH1 ARG A 54 -1.814 -13.258 3.134 1.00 23.38 N ATOM 857 NH2 ARG A 54 -4.131 -12.746 3.257 1.00 25.50 N ATOM 0 H ARG A 54 -1.988 -9.924 -2.726 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.401 -11.590 -2.836 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -2.803 -10.541 -0.511 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.344 -11.365 -0.381 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -3.433 -13.381 -1.418 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -1.932 -12.564 -1.806 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -1.498 -13.921 0.138 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -1.533 -12.258 0.691 1.00 12.20 H new ATOM 0 HE ARG A 54 -4.119 -13.825 0.904 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -1.024 -13.618 2.598 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -1.696 -13.020 4.119 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -5.048 -12.722 2.810 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -4.039 -12.509 4.245 1.00 25.50 H new ATOM 871 N THR A 55 -5.981 -9.707 -2.026 1.00 9.05 N ATOM 872 CA THR A 55 -6.906 -8.626 -2.171 1.00 9.03 C ATOM 873 C THR A 55 -6.867 -7.726 -0.984 1.00 8.15 C ATOM 874 O THR A 55 -6.522 -8.139 0.122 1.00 5.91 O ATOM 875 CB THR A 55 -8.283 -9.000 -2.632 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.760 -9.981 -1.724 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.259 -9.688 -4.008 1.00 11.71 C ATOM 0 H THR A 55 -6.383 -10.573 -1.668 1.00 9.05 H new ATOM 0 HA THR A 55 -6.552 -8.047 -3.024 1.00 9.03 H new ATOM 0 HB THR A 55 -8.891 -8.097 -2.686 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.525 -9.622 -1.227 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.276 -9.943 -4.305 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.824 -9.013 -4.745 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.660 -10.597 -3.950 1.00 11.71 H new ATOM 885 N LEU A 56 -7.304 -6.454 -1.019 1.00 6.91 N ATOM 886 CA LEU A 56 -7.506 -5.602 0.111 1.00 8.29 C ATOM 887 C LEU A 56 -8.368 -6.069 1.233 1.00 8.05 C ATOM 888 O LEU A 56 -8.233 -5.911 2.445 1.00 10.17 O ATOM 889 CB LEU A 56 -8.140 -4.308 -0.427 1.00 6.60 C ATOM 890 CG LEU A 56 -7.133 -3.443 -1.202 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.889 -2.654 -2.286 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.287 -2.568 -0.261 1.00 9.85 C ATOM 0 H LEU A 56 -7.531 -5.990 -1.899 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.517 -5.523 0.562 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.977 -4.560 -1.079 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.546 -3.732 0.405 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.404 -4.077 -1.705 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -7.185 -2.036 -2.843 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.379 -3.350 -2.967 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.638 -2.017 -1.816 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.588 -1.972 -0.848 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.941 -1.906 0.306 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.731 -3.205 0.427 1.00 9.85 H new ATOM 904 N SER A 57 -9.501 -6.652 0.803 1.00 8.92 N ATOM 905 CA SER A 57 -10.387 -7.430 1.613 1.00 9.00 C ATOM 906 C SER A 57 -9.795 -8.540 2.411 1.00 9.44 C ATOM 907 O SER A 57 -10.100 -8.796 3.575 1.00 10.91 O ATOM 908 CB SER A 57 -11.479 -8.068 0.738 1.00 10.32 C ATOM 909 OG SER A 57 -10.963 -8.611 -0.468 1.00 13.59 O ATOM 0 H SER A 57 -9.816 -6.576 -0.164 1.00 8.92 H new ATOM 0 HA SER A 57 -10.753 -6.694 2.329 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.978 -8.856 1.303 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.234 -7.318 0.501 1.00 10.32 H new ATOM 0 HG SER A 57 -11.694 -9.006 -0.988 1.00 13.59 H new ATOM 915 N ASP A 58 -8.874 -9.324 1.821 1.00 9.11 N ATOM 916 CA ASP A 58 -8.186 -10.436 2.399 1.00 7.91 C ATOM 917 C ASP A 58 -7.419 -10.172 3.649 1.00 9.12 C ATOM 918 O ASP A 58 -7.613 -10.821 4.676 1.00 8.61 O ATOM 919 CB ASP A 58 -7.292 -11.182 1.395 1.00 8.41 C ATOM 920 CG ASP A 58 -7.048 -12.652 1.704 1.00 11.50 C ATOM 921 OD1 ASP A 58 -7.889 -13.289 2.393 1.00 11.70 O ATOM 922 OD2 ASP A 58 -5.985 -13.125 1.220 1.00 10.05 O ATOM 0 H ASP A 58 -8.588 -9.164 0.855 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.020 -11.073 2.695 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.744 -11.106 0.406 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -6.329 -10.674 1.345 1.00 8.41 H new ATOM 927 N TYR A 59 -6.609 -9.106 3.523 1.00 7.97 N ATOM 928 CA TYR A 59 -5.893 -8.448 4.571 1.00 8.45 C ATOM 929 C TYR A 59 -6.701 -7.757 5.614 1.00 10.98 C ATOM 930 O TYR A 59 -6.224 -7.596 6.736 1.00 12.95 O ATOM 931 CB TYR A 59 -4.942 -7.419 3.937 1.00 7.94 C ATOM 932 CG TYR A 59 -3.840 -8.092 3.194 1.00 6.91 C ATOM 933 CD1 TYR A 59 -3.065 -8.903 3.990 1.00 6.98 C ATOM 934 CD2 TYR A 59 -3.591 -8.085 1.842 1.00 4.59 C ATOM 935 CE1 TYR A 59 -1.996 -9.586 3.460 1.00 6.52 C ATOM 936 CE2 TYR A 59 -2.574 -8.817 1.277 1.00 5.39 C ATOM 937 CZ TYR A 59 -1.752 -9.542 2.108 1.00 6.76 C ATOM 938 OH TYR A 59 -0.636 -10.240 1.599 1.00 7.63 O ATOM 0 H TYR A 59 -6.443 -8.671 2.616 1.00 7.97 H new ATOM 0 HA TYR A 59 -5.385 -9.252 5.103 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.500 -6.773 3.259 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -4.523 -6.780 4.714 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -3.298 -9.004 5.040 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.217 -7.483 1.201 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -1.347 -10.158 4.107 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.424 -8.823 0.207 1.00 5.39 H new ATOM 0 HH TYR A 59 -0.455 -11.022 2.161 1.00 7.63 H new ATOM 948 N ASN A 60 -7.875 -7.322 5.122 1.00 12.38 N ATOM 949 CA ASN A 60 -8.962 -6.710 5.822 1.00 13.94 C ATOM 950 C ASN A 60 -8.757 -5.246 6.007 1.00 14.16 C ATOM 951 O ASN A 60 -8.788 -4.648 7.081 1.00 14.26 O ATOM 952 CB ASN A 60 -9.241 -7.258 7.232 1.00 19.23 C ATOM 953 CG ASN A 60 -9.374 -8.773 7.290 1.00 22.65 C ATOM 954 OD1 ASN A 60 -8.697 -9.347 8.142 1.00 25.45 O ATOM 955 ND2 ASN A 60 -10.159 -9.384 6.363 1.00 24.09 N ATOM 0 H ASN A 60 -8.082 -7.410 4.127 1.00 12.38 H new ATOM 0 HA ASN A 60 -9.806 -6.944 5.172 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -8.435 -6.948 7.897 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -10.158 -6.808 7.611 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -10.220 -10.402 6.337 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -10.687 -8.824 5.693 1.00 24.09 H new ATOM 962 N ILE A 61 -8.538 -4.559 4.872 1.00 11.08 N ATOM 963 CA ILE A 61 -8.376 -3.138 4.882 1.00 11.78 C ATOM 964 C ILE A 61 -9.732 -2.521 4.838 1.00 13.74 C ATOM 965 O ILE A 61 -10.692 -3.172 4.427 1.00 14.60 O ATOM 966 CB ILE A 61 -7.306 -2.671 3.941 1.00 11.80 C ATOM 967 CG1 ILE A 61 -5.928 -3.121 4.454 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.324 -1.136 3.853 1.00 13.29 C ATOM 969 CD1 ILE A 61 -4.775 -3.099 3.452 1.00 11.42 C ATOM 0 H ILE A 61 -8.473 -4.987 3.948 1.00 11.08 H new ATOM 0 HA ILE A 61 -7.944 -2.763 5.810 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.492 -3.100 2.957 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.656 -2.486 5.297 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.024 -4.137 4.838 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.545 -0.802 3.168 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.296 -0.804 3.487 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.144 -0.713 4.841 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -3.862 -3.439 3.941 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.007 -3.759 2.616 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.633 -2.083 3.083 1.00 11.42 H new ATOM 981 N GLN A 62 -9.984 -1.336 5.421 1.00 13.97 N ATOM 982 CA GLN A 62 -11.303 -0.792 5.516 1.00 15.52 C ATOM 983 C GLN A 62 -11.195 0.692 5.453 1.00 13.94 C ATOM 984 O GLN A 62 -10.214 1.197 4.910 1.00 12.15 O ATOM 985 CB GLN A 62 -12.026 -1.216 6.805 1.00 19.53 C ATOM 986 CG GLN A 62 -11.279 -0.768 8.063 1.00 26.38 C ATOM 987 CD GLN A 62 -11.817 -1.482 9.294 1.00 30.61 C ATOM 988 OE1 GLN A 62 -11.417 -2.604 9.601 1.00 33.23 O ATOM 989 NE2 GLN A 62 -12.671 -0.779 10.086 1.00 32.71 N ATOM 0 H GLN A 62 -9.261 -0.746 5.833 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.898 -1.178 4.688 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -13.031 -0.793 6.812 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -12.136 -2.300 6.817 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -10.215 -0.976 7.953 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.382 0.310 8.188 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -12.983 0.149 9.801 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -12.999 -1.180 10.964 1.00 32.71 H new ATOM 998 N LYS A 63 -12.221 1.457 5.868 1.00 11.73 N ATOM 999 CA LYS A 63 -12.232 2.867 5.631 1.00 11.97 C ATOM 1000 C LYS A 63 -11.301 3.505 6.603 1.00 10.41 C ATOM 1001 O LYS A 63 -11.285 3.170 7.787 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.668 3.414 5.705 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.322 3.428 7.088 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.846 3.453 6.961 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.397 4.703 6.271 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.780 4.641 5.747 1.00 25.97 N ATOM 0 H LYS A 63 -13.038 1.102 6.365 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.883 3.102 4.625 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.665 4.433 5.318 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.294 2.822 5.038 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.013 2.548 7.652 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.984 4.300 7.648 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -16.168 2.573 6.404 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.284 3.378 7.956 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.342 5.530 6.979 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.734 4.949 5.442 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.025 5.551 5.306 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.849 3.883 5.038 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -18.439 4.446 6.528 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.417 4.411 6.149 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.586 5.348 6.839 1.00 10.94 C ATOM 1022 C GLU A 64 -8.438 4.658 7.492 1.00 9.74 C ATOM 1023 O GLU A 64 -7.703 5.369 8.176 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.357 6.222 7.843 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.559 6.953 7.243 1.00 24.16 C ATOM 1026 CD GLU A 64 -11.948 7.907 8.364 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.685 7.496 9.299 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -11.480 9.076 8.326 1.00 31.72 O ATOM 0 H GLU A 64 -10.268 4.493 5.143 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.199 6.031 6.083 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -10.701 5.594 8.665 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -9.674 6.957 8.268 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.297 7.485 6.328 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.369 6.268 6.992 1.00 24.16 H new ATOM 1035 N SER A 65 -8.190 3.367 7.209 1.00 6.85 N ATOM 1036 CA SER A 65 -6.997 2.700 7.632 1.00 6.90 C ATOM 1037 C SER A 65 -5.759 3.348 7.115 1.00 4.72 C ATOM 1038 O SER A 65 -5.697 3.797 5.971 1.00 3.91 O ATOM 1039 CB SER A 65 -7.071 1.222 7.212 1.00 7.28 C ATOM 1040 OG SER A 65 -8.137 0.507 7.818 1.00 10.56 O ATOM 0 H SER A 65 -8.829 2.775 6.677 1.00 6.85 H new ATOM 0 HA SER A 65 -6.937 2.771 8.718 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.178 1.167 6.129 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.129 0.735 7.464 1.00 7.28 H new ATOM 0 HG SER A 65 -8.126 -0.422 7.507 1.00 10.56 H new ATOM 1046 N THR A 66 -4.731 3.389 7.981 1.00 4.48 N ATOM 1047 CA THR A 66 -3.554 4.172 7.766 1.00 3.80 C ATOM 1048 C THR A 66 -2.486 3.155 7.560 1.00 4.60 C ATOM 1049 O THR A 66 -2.070 2.453 8.481 1.00 5.33 O ATOM 1050 CB THR A 66 -3.116 4.945 8.975 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.137 5.899 9.227 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.786 5.685 8.753 1.00 3.40 C ATOM 0 H THR A 66 -4.718 2.863 8.855 1.00 4.48 H new ATOM 0 HA THR A 66 -3.738 4.879 6.957 1.00 3.80 H new ATOM 0 HB THR A 66 -2.958 4.258 9.807 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.899 6.433 10.014 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.516 6.228 9.659 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.004 4.964 8.515 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.894 6.388 7.927 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.033 2.877 6.324 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.022 1.968 5.881 1.00 3.85 C ATOM 1062 C LEU A 67 0.235 2.768 5.863 1.00 3.80 C ATOM 1063 O LEU A 67 0.217 3.967 5.590 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.172 1.437 4.445 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.396 0.559 4.134 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.492 -0.731 4.966 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -3.734 1.318 4.142 1.00 8.12 C ATOM 0 H LEU A 67 -2.439 3.364 5.525 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.063 1.104 6.545 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.193 2.293 3.771 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.277 0.863 4.204 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.209 0.249 3.106 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.386 -1.284 4.677 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -1.610 -1.346 4.786 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -2.548 -0.478 6.025 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -4.546 0.627 3.914 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -3.897 1.757 5.126 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -3.708 2.108 3.392 1.00 8.12 H new ATOM 1079 N HIS A 68 1.400 2.145 6.113 1.00 2.94 N ATOM 1080 CA HIS A 68 2.663 2.812 6.055 1.00 4.17 C ATOM 1081 C HIS A 68 3.476 2.220 4.955 1.00 5.32 C ATOM 1082 O HIS A 68 3.652 1.007 4.848 1.00 7.70 O ATOM 1083 CB HIS A 68 3.425 2.557 7.366 1.00 5.57 C ATOM 1084 CG HIS A 68 2.658 3.040 8.560 1.00 9.95 C ATOM 1085 ND1 HIS A 68 2.824 2.499 9.819 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.634 3.930 8.660 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.885 3.057 10.629 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.098 3.853 9.929 1.00 16.30 N ATOM 0 H HIS A 68 1.466 1.158 6.361 1.00 2.94 H new ATOM 0 HA HIS A 68 2.500 3.878 5.894 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.624 1.490 7.469 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.392 3.059 7.328 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.296 4.589 7.874 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.796 2.876 11.690 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.255 4.321 10.262 1.00 16.30 H new ATOM 1096 N LEU A 69 3.978 3.108 4.078 1.00 5.29 N ATOM 1097 CA LEU A 69 4.766 2.810 2.922 1.00 3.97 C ATOM 1098 C LEU A 69 6.196 2.947 3.316 1.00 5.07 C ATOM 1099 O LEU A 69 6.716 3.968 3.763 1.00 4.34 O ATOM 1100 CB LEU A 69 4.535 3.793 1.762 1.00 6.08 C ATOM 1101 CG LEU A 69 5.384 3.389 0.545 1.00 7.37 C ATOM 1102 CD1 LEU A 69 4.850 2.106 -0.114 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.248 4.416 -0.592 1.00 6.87 C ATOM 0 H LEU A 69 3.820 4.110 4.187 1.00 5.29 H new ATOM 0 HA LEU A 69 4.491 1.811 2.583 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.479 3.804 1.490 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.794 4.804 2.076 1.00 6.08 H new ATOM 0 HG LEU A 69 6.398 3.290 0.931 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.474 1.850 -0.970 1.00 9.96 H new ATOM 0 HD12 LEU A 69 4.872 1.290 0.608 1.00 9.96 H new ATOM 0 HD13 LEU A 69 3.825 2.268 -0.447 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.859 4.104 -1.439 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.205 4.480 -0.901 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.584 5.392 -0.242 1.00 6.87 H new ATOM 1115 N VAL A 70 6.914 1.810 3.257 1.00 4.29 N ATOM 1116 CA VAL A 70 8.243 1.781 3.783 1.00 6.26 C ATOM 1117 C VAL A 70 9.019 1.550 2.533 1.00 9.22 C ATOM 1118 O VAL A 70 8.659 0.733 1.687 1.00 9.36 O ATOM 1119 CB VAL A 70 8.502 0.568 4.626 1.00 8.69 C ATOM 1120 CG1 VAL A 70 10.001 0.306 4.850 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.754 0.778 5.954 1.00 8.54 C ATOM 0 H VAL A 70 6.585 0.932 2.856 1.00 4.29 H new ATOM 0 HA VAL A 70 8.463 2.662 4.385 1.00 6.26 H new ATOM 0 HB VAL A 70 8.139 -0.323 4.113 1.00 8.69 H new ATOM 0 HG11 VAL A 70 10.127 -0.584 5.467 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.491 0.153 3.889 1.00 9.76 H new ATOM 0 HG13 VAL A 70 10.449 1.163 5.354 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.914 -0.084 6.602 1.00 8.54 H new ATOM 0 HG22 VAL A 70 8.129 1.676 6.445 1.00 8.54 H new ATOM 0 HG23 VAL A 70 6.688 0.890 5.757 1.00 8.54 H new ATOM 1131 N LEU A 71 10.196 2.181 2.368 1.00 12.71 N ATOM 1132 CA LEU A 71 11.047 1.931 1.247 1.00 16.06 C ATOM 1133 C LEU A 71 11.997 0.800 1.450 1.00 18.09 C ATOM 1134 O LEU A 71 12.711 0.726 2.448 1.00 19.26 O ATOM 1135 CB LEU A 71 11.880 3.174 0.894 1.00 17.10 C ATOM 1136 CG LEU A 71 11.008 4.407 0.605 1.00 19.37 C ATOM 1137 CD1 LEU A 71 11.884 5.663 0.461 1.00 19.57 C ATOM 1138 CD2 LEU A 71 10.252 4.227 -0.723 1.00 17.51 C ATOM 0 H LEU A 71 10.561 2.874 3.021 1.00 12.71 H new ATOM 0 HA LEU A 71 10.364 1.668 0.439 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.558 3.398 1.717 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.497 2.958 0.022 1.00 17.10 H new ATOM 0 HG LEU A 71 10.311 4.517 1.436 1.00 19.37 H new ATOM 0 HD11 LEU A 71 11.251 6.527 0.257 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.437 5.829 1.386 1.00 19.57 H new ATOM 0 HD13 LEU A 71 12.586 5.525 -0.362 1.00 19.57 H new ATOM 0 HD21 LEU A 71 9.639 5.107 -0.915 1.00 17.51 H new ATOM 0 HD22 LEU A 71 10.968 4.100 -1.535 1.00 17.51 H new ATOM 0 HD23 LEU A 71 9.613 3.346 -0.661 1.00 17.51 H new ATOM 1150 N ARG A 72 11.948 -0.273 0.640 1.00 21.47 N ATOM 1151 CA ARG A 72 12.757 -1.444 0.775 1.00 25.83 C ATOM 1152 C ARG A 72 13.837 -1.509 -0.249 1.00 27.74 C ATOM 1153 O ARG A 72 13.726 -1.100 -1.404 1.00 30.65 O ATOM 1154 CB ARG A 72 11.903 -2.717 0.652 1.00 28.49 C ATOM 1155 CG ARG A 72 11.220 -2.899 -0.705 1.00 31.79 C ATOM 1156 CD ARG A 72 10.405 -4.191 -0.791 1.00 34.05 C ATOM 1157 NE ARG A 72 11.345 -5.320 -1.038 1.00 35.08 N ATOM 1158 CZ ARG A 72 11.467 -5.949 -2.243 1.00 34.67 C ATOM 1159 NH1 ARG A 72 10.743 -5.655 -3.362 1.00 35.02 N ATOM 1160 NH2 ARG A 72 12.470 -6.873 -2.302 1.00 34.97 N ATOM 0 H ARG A 72 11.308 -0.325 -0.153 1.00 21.47 H new ATOM 0 HA ARG A 72 13.212 -1.384 1.764 1.00 25.83 H new ATOM 0 HB2 ARG A 72 12.536 -3.583 0.844 1.00 28.49 H new ATOM 0 HB3 ARG A 72 11.139 -2.702 1.429 1.00 28.49 H new ATOM 0 HG2 ARG A 72 10.565 -2.049 -0.894 1.00 31.79 H new ATOM 0 HG3 ARG A 72 11.976 -2.899 -1.490 1.00 31.79 H new ATOM 0 HD2 ARG A 72 9.851 -4.353 0.134 1.00 34.05 H new ATOM 0 HD3 ARG A 72 9.671 -4.125 -1.594 1.00 34.05 H new ATOM 0 HE ARG A 72 11.929 -5.640 -0.265 1.00 35.08 H new ATOM 0 HH11 ARG A 72 10.045 -4.912 -3.337 1.00 35.02 H new ATOM 0 HH12 ARG A 72 10.900 -6.178 -4.223 1.00 35.02 H new ATOM 0 HH21 ARG A 72 13.055 -7.044 -1.484 1.00 34.97 H new ATOM 0 HH22 ARG A 72 12.635 -7.392 -3.164 1.00 34.97 H new ATOM 1174 N LEU A 73 15.009 -1.988 0.203 1.00 28.93 N ATOM 1175 CA LEU A 73 16.093 -2.234 -0.697 1.00 30.76 C ATOM 1176 C LEU A 73 16.044 -3.680 -1.051 1.00 32.18 C ATOM 1177 O LEU A 73 14.966 -4.068 -1.499 1.00 32.31 O ATOM 1178 CB LEU A 73 17.381 -1.769 0.004 1.00 30.53 C ATOM 1179 CG LEU A 73 18.705 -1.849 -0.774 1.00 30.16 C ATOM 1180 CD1 LEU A 73 18.443 -1.052 -2.064 1.00 29.11 C ATOM 1181 CD2 LEU A 73 19.810 -1.119 0.007 1.00 29.57 C ATOM 0 H LEU A 73 15.206 -2.203 1.180 1.00 28.93 H new ATOM 0 HA LEU A 73 16.042 -1.684 -1.636 1.00 30.76 H new ATOM 0 HB2 LEU A 73 17.237 -0.733 0.310 1.00 30.53 H new ATOM 0 HB3 LEU A 73 17.495 -2.357 0.915 1.00 30.53 H new ATOM 0 HG LEU A 73 19.013 -2.880 -0.947 1.00 30.16 H new ATOM 0 HD11 LEU A 73 19.340 -1.056 -2.683 1.00 29.11 H new ATOM 0 HD12 LEU A 73 17.621 -1.510 -2.614 1.00 29.11 H new ATOM 0 HD13 LEU A 73 18.182 -0.024 -1.810 1.00 29.11 H new ATOM 0 HD21 LEU A 73 20.747 -1.178 -0.547 1.00 29.57 H new ATOM 0 HD22 LEU A 73 19.532 -0.073 0.140 1.00 29.57 H new ATOM 0 HD23 LEU A 73 19.936 -1.588 0.983 1.00 29.57 H new ATOM 1193 N ARG A 74 17.032 -4.573 -0.866 1.00 33.82 N ATOM 1194 CA ARG A 74 16.951 -5.964 -1.187 1.00 35.33 C ATOM 1195 C ARG A 74 17.564 -6.639 -0.008 1.00 36.22 C ATOM 1196 O ARG A 74 18.318 -6.063 0.774 1.00 36.70 O ATOM 1197 CB ARG A 74 17.758 -6.325 -2.445 1.00 36.91 C ATOM 1198 CG ARG A 74 17.267 -5.735 -3.769 1.00 38.62 C ATOM 1199 CD ARG A 74 15.937 -6.236 -4.334 1.00 39.75 C ATOM 1200 NE ARG A 74 15.615 -5.477 -5.576 1.00 41.13 N ATOM 1201 CZ ARG A 74 15.162 -5.957 -6.770 1.00 41.91 C ATOM 1202 NH1 ARG A 74 15.221 -7.287 -7.068 1.00 42.75 N ATOM 1203 NH2 ARG A 74 14.597 -5.049 -7.619 1.00 41.93 N ATOM 0 H ARG A 74 17.935 -4.310 -0.472 1.00 33.82 H new ATOM 0 HA ARG A 74 15.922 -6.260 -1.392 1.00 35.33 H new ATOM 0 HB2 ARG A 74 18.789 -6.005 -2.291 1.00 36.91 H new ATOM 0 HB3 ARG A 74 17.772 -7.411 -2.541 1.00 36.91 H new ATOM 0 HG2 ARG A 74 17.190 -4.655 -3.644 1.00 38.62 H new ATOM 0 HG3 ARG A 74 18.037 -5.915 -4.520 1.00 38.62 H new ATOM 0 HD2 ARG A 74 15.999 -7.302 -4.551 1.00 39.75 H new ATOM 0 HD3 ARG A 74 15.144 -6.106 -3.598 1.00 39.75 H new ATOM 0 HE ARG A 74 15.751 -4.467 -5.527 1.00 41.13 H new ATOM 0 HH11 ARG A 74 15.610 -7.944 -6.392 1.00 42.75 H new ATOM 0 HH12 ARG A 74 14.876 -7.624 -7.967 1.00 42.75 H new ATOM 0 HH21 ARG A 74 14.531 -4.068 -7.346 1.00 41.93 H new ATOM 0 HH22 ARG A 74 14.241 -5.351 -8.526 1.00 41.93 H new ATOM 1217 N GLY A 75 17.106 -7.886 0.203 1.00 36.31 N ATOM 1218 CA GLY A 75 17.489 -8.736 1.287 1.00 36.07 C ATOM 1219 C GLY A 75 16.609 -8.510 2.468 1.00 36.16 C ATOM 1220 O GLY A 75 16.056 -9.437 3.059 1.00 36.26 O ATOM 0 H GLY A 75 16.429 -8.326 -0.420 1.00 36.31 H new ATOM 0 HA2 GLY A 75 17.429 -9.779 0.977 1.00 36.07 H new ATOM 0 HA3 GLY A 75 18.527 -8.543 1.558 1.00 36.07 H new ATOM 1224 N GLY A 76 16.482 -7.266 2.964 1.00 36.05 N ATOM 1225 CA GLY A 76 15.726 -7.007 4.149 1.00 36.19 C ATOM 1226 C GLY A 76 14.384 -6.399 3.765 1.00 36.20 C ATOM 1227 O GLY A 76 13.686 -6.970 2.886 1.00 36.13 O ATOM 1228 OXT GLY A 76 14.009 -5.286 4.222 1.00 36.27 O ATOM 0 H GLY A 76 16.904 -6.438 2.543 1.00 36.05 H new ATOM 0 HA2 GLY A 76 15.574 -7.931 4.707 1.00 36.19 H new ATOM 0 HA3 GLY A 76 16.273 -6.327 4.802 1.00 36.19 H new TER 1232 GLY A 76