USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 -57:sc= 1.57 USER MOD Set 1.2: A 57 SER OG : rot -31:sc= 0.331 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.564 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.617 K(o=1.2,f=0.58) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -160:sc= 0.874 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.763 USER MOD Set 4.1: A 7 THR OG1 : rot -170:sc= 0.425 USER MOD Set 4.2: A 9 THR OG1 : rot -21:sc= 0.44 USER MOD Single : A 1 MET CE :methyl -147:sc= -0.156 (180deg=-0.913) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.22 (180deg=0.992) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 1.29 (180deg=1.23) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= -0.0196 (180deg=-0.843!) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0.68 (180deg=0.676) USER MOD Single : A 31 GLN : amide:sc= -0.938 K(o=-0.94,f=-1.8!) 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=-2.6!) USER MOD Single : A 41 GLN : amide:sc= 1.23 K(o=1.2,f=-6.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.738 K(o=-0.74,f=-1.7!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.804 USER MOD Single : A 60 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.41) USER MOD Single : A 62 GLN : amide:sc= 0.00707 X(o=0.0071,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 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.411 -7.136 -5.063 1.00 9.67 N ATOM 2 CA MET A 1 11.352 -7.479 -3.606 1.00 10.38 C ATOM 3 C MET A 1 9.941 -7.922 -3.199 1.00 9.62 C ATOM 4 O MET A 1 8.951 -7.464 -3.713 1.00 9.62 O ATOM 5 CB MET A 1 11.944 -6.394 -2.646 1.00 13.77 C ATOM 6 CG MET A 1 11.064 -5.144 -2.384 1.00 16.29 C ATOM 7 SD MET A 1 12.034 -3.971 -1.411 1.00 17.17 S ATOM 8 CE MET A 1 10.754 -2.877 -0.839 1.00 16.11 C ATOM 0 H1 MET A 1 12.401 -7.138 -5.380 1.00 9.67 H new ATOM 0 H2 MET A 1 10.872 -7.839 -5.607 1.00 9.67 H new ATOM 0 H3 MET A 1 11.001 -6.192 -5.214 1.00 9.67 H new ATOM 0 HA MET A 1 12.025 -8.327 -3.480 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.158 -6.867 -1.688 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.897 -6.060 -3.056 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.754 -4.692 -3.326 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.156 -5.423 -1.850 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.150 -1.865 -0.757 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.925 -2.886 -1.547 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.401 -3.209 0.137 1.00 16.11 H new ATOM 20 N GLN A 2 9.922 -8.817 -2.166 1.00 9.27 N ATOM 21 CA GLN A 2 8.737 -9.155 -1.449 1.00 9.07 C ATOM 22 C GLN A 2 8.444 -8.285 -0.256 1.00 8.72 C ATOM 23 O GLN A 2 9.390 -7.809 0.400 1.00 8.22 O ATOM 24 CB GLN A 2 8.731 -10.622 -1.094 1.00 14.46 C ATOM 25 CG GLN A 2 7.499 -11.236 -0.390 1.00 17.01 C ATOM 26 CD GLN A 2 7.526 -12.658 -0.277 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.445 -13.165 0.825 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.416 -13.426 -1.399 1.00 19.49 N ATOM 0 H GLN A 2 10.754 -9.306 -1.836 1.00 9.27 H new ATOM 0 HA GLN A 2 7.913 -8.951 -2.133 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.891 -11.181 -2.016 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.596 -10.806 -0.456 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.416 -10.807 0.609 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.602 -10.945 -0.937 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.485 -12.995 -2.321 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.265 -14.431 -1.316 1.00 19.49 H new ATOM 37 N ILE A 3 7.151 -8.017 0.016 1.00 5.87 N ATOM 38 CA ILE A 3 6.685 -7.165 1.112 1.00 5.07 C ATOM 39 C ILE A 3 5.250 -7.624 1.500 1.00 4.01 C ATOM 40 O ILE A 3 4.567 -8.385 0.792 1.00 4.61 O ATOM 41 CB ILE A 3 6.587 -5.695 0.839 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.544 -5.335 -0.337 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.937 -5.101 0.525 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.283 -4.511 0.118 1.00 10.83 C ATOM 0 H ILE A 3 6.387 -8.401 -0.540 1.00 5.87 H new ATOM 0 HA ILE A 3 7.445 -7.283 1.885 1.00 5.07 H new ATOM 0 HB ILE A 3 6.205 -5.252 1.759 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.069 -4.770 -1.107 1.00 4.72 H new ATOM 0 HG13 ILE A 3 5.205 -6.263 -0.798 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.829 -4.034 0.332 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.606 -5.251 1.372 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.353 -5.589 -0.357 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.643 -4.319 -0.744 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.727 -5.079 0.864 1.00 10.83 H new ATOM 0 HD13 ILE A 3 4.604 -3.563 0.550 1.00 10.83 H new ATOM 56 N PHE A 4 4.669 -7.141 2.612 1.00 4.55 N ATOM 57 CA PHE A 4 3.445 -7.712 3.083 1.00 4.68 C ATOM 58 C PHE A 4 2.435 -6.652 3.316 1.00 5.30 C ATOM 59 O PHE A 4 2.738 -5.667 4.023 1.00 5.58 O ATOM 60 CB PHE A 4 3.738 -8.391 4.411 1.00 4.83 C ATOM 61 CG PHE A 4 4.673 -9.543 4.251 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.346 -10.580 3.378 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.827 -9.593 5.040 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.208 -11.638 3.253 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.714 -10.652 4.955 1.00 10.61 C ATOM 66 CZ PHE A 4 6.388 -11.682 4.096 1.00 8.90 C ATOM 0 H PHE A 4 5.035 -6.373 3.174 1.00 4.55 H new ATOM 0 HA PHE A 4 3.059 -8.415 2.345 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.169 -7.667 5.102 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.805 -8.739 4.855 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.428 -10.550 2.810 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.030 -8.788 5.730 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.012 -12.425 2.540 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.624 -10.672 5.537 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.032 -12.548 4.050 1.00 8.90 H new ATOM 76 N VAL A 5 1.165 -6.787 2.810 1.00 4.44 N ATOM 77 CA VAL A 5 0.092 -5.875 3.083 1.00 3.87 C ATOM 78 C VAL A 5 -0.916 -6.566 4.058 1.00 4.93 C ATOM 79 O VAL A 5 -1.205 -7.772 3.929 1.00 6.84 O ATOM 80 CB VAL A 5 -0.572 -5.325 1.848 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.577 -4.208 2.207 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.482 -4.804 0.960 1.00 9.13 C ATOM 0 H VAL A 5 0.894 -7.556 2.197 1.00 4.44 H new ATOM 0 HA VAL A 5 0.511 -4.991 3.563 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.133 -6.115 1.349 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.041 -3.830 1.296 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.346 -4.609 2.867 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.054 -3.396 2.712 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.028 -4.399 0.056 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.034 -4.017 1.473 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.165 -5.611 0.693 1.00 9.13 H new ATOM 92 N LYS A 6 -1.381 -5.852 5.101 1.00 6.04 N ATOM 93 CA LYS A 6 -2.328 -6.363 6.107 1.00 6.12 C ATOM 94 C LYS A 6 -3.676 -5.705 5.910 1.00 6.57 C ATOM 95 O LYS A 6 -3.824 -4.473 5.945 1.00 5.76 O ATOM 96 CB LYS A 6 -1.886 -6.366 7.567 1.00 7.45 C ATOM 97 CG LYS A 6 -0.559 -6.965 7.839 1.00 11.12 C ATOM 98 CD LYS A 6 -0.371 -8.446 7.490 1.00 14.54 C ATOM 99 CE LYS A 6 -0.878 -9.305 8.656 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.330 -10.666 8.725 1.00 20.55 N ATOM 0 H LYS A 6 -1.103 -4.885 5.270 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.385 -7.433 5.909 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.880 -5.337 7.927 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.633 -6.903 8.152 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.189 -6.392 7.291 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.343 -6.838 8.900 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.917 -8.690 6.578 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.681 -8.656 7.298 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.647 -8.792 9.589 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.964 -9.372 8.589 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.954 -11.262 9.305 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.265 -11.063 7.766 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.617 -10.637 9.153 1.00 20.55 H new ATOM 114 N THR A 7 -4.728 -6.473 5.838 1.00 7.41 N ATOM 115 CA THR A 7 -6.107 -5.981 5.534 1.00 7.48 C ATOM 116 C THR A 7 -6.732 -5.587 6.866 1.00 8.75 C ATOM 117 O THR A 7 -6.200 -5.856 7.946 1.00 8.58 O ATOM 118 CB THR A 7 -7.018 -6.917 4.770 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.357 -8.053 5.570 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.238 -7.431 3.546 1.00 9.17 C ATOM 0 H THR A 7 -4.684 -7.481 5.986 1.00 7.41 H new ATOM 0 HA THR A 7 -5.998 -5.147 4.841 1.00 7.48 H new ATOM 0 HB THR A 7 -7.927 -6.385 4.489 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.812 -8.720 5.015 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.868 -8.110 2.972 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.948 -6.588 2.919 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.345 -7.959 3.879 1.00 9.17 H new ATOM 128 N LEU A 8 -7.942 -5.038 6.835 1.00 9.84 N ATOM 129 CA LEU A 8 -8.654 -4.765 8.107 1.00 14.15 C ATOM 130 C LEU A 8 -9.131 -5.955 8.939 1.00 17.37 C ATOM 131 O LEU A 8 -9.492 -5.796 10.144 1.00 17.01 O ATOM 132 CB LEU A 8 -9.811 -3.755 7.858 1.00 16.63 C ATOM 133 CG LEU A 8 -9.390 -2.354 7.341 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.661 -1.524 7.012 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.562 -1.552 8.320 1.00 18.59 C ATOM 0 H LEU A 8 -8.445 -4.777 5.987 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.878 -4.342 8.745 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.501 -4.194 7.138 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.362 -3.626 8.790 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.771 -2.539 6.463 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.368 -0.539 6.648 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.242 -2.036 6.245 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.266 -1.414 7.912 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.311 -0.587 7.879 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.132 -1.395 9.236 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.645 -2.095 8.551 1.00 18.59 H new ATOM 147 N THR A 9 -9.003 -7.127 8.337 1.00 18.33 N ATOM 148 CA THR A 9 -9.284 -8.382 9.019 1.00 19.24 C ATOM 149 C THR A 9 -8.000 -9.049 9.330 1.00 19.48 C ATOM 150 O THR A 9 -8.073 -10.131 9.956 1.00 23.14 O ATOM 151 CB THR A 9 -10.096 -9.287 8.090 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.463 -9.686 6.875 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.471 -8.650 7.756 1.00 19.70 C ATOM 0 H THR A 9 -8.703 -7.236 7.368 1.00 18.33 H new ATOM 0 HA THR A 9 -9.844 -8.192 9.934 1.00 19.24 H new ATOM 0 HB THR A 9 -10.208 -10.202 8.672 1.00 18.97 H new ATOM 0 HG1 THR A 9 -8.738 -9.062 6.664 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.028 -9.313 7.094 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.035 -8.498 8.676 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.317 -7.690 7.262 1.00 19.70 H new ATOM 161 N GLY A 10 -6.830 -8.479 9.023 1.00 19.43 N ATOM 162 CA GLY A 10 -5.535 -9.023 9.359 1.00 18.74 C ATOM 163 C GLY A 10 -5.050 -9.942 8.339 1.00 17.62 C ATOM 164 O GLY A 10 -3.967 -10.522 8.474 1.00 19.74 O ATOM 0 H GLY A 10 -6.770 -7.596 8.516 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.821 -8.209 9.483 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.597 -9.542 10.315 1.00 18.74 H new ATOM 168 N LYS A 11 -5.691 -10.241 7.183 1.00 13.56 N ATOM 169 CA LYS A 11 -5.188 -11.178 6.186 1.00 11.91 C ATOM 170 C LYS A 11 -3.934 -10.533 5.515 1.00 10.18 C ATOM 171 O LYS A 11 -3.886 -9.351 5.121 1.00 9.10 O ATOM 172 CB LYS A 11 -6.240 -11.550 5.121 1.00 13.43 C ATOM 173 CG LYS A 11 -5.924 -12.783 4.239 1.00 16.69 C ATOM 174 CD LYS A 11 -6.941 -13.029 3.206 1.00 17.92 C ATOM 175 CE LYS A 11 -6.791 -12.021 2.078 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.782 -12.332 1.049 1.00 21.93 N ATOM 0 H LYS A 11 -6.586 -9.823 6.926 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.931 -12.112 6.686 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.190 -11.726 5.626 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.382 -10.690 4.467 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.955 -12.641 3.760 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.839 -13.665 4.874 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.838 -14.042 2.816 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.938 -12.955 3.641 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.938 -11.008 2.452 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.785 -12.064 1.661 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.800 -11.569 0.343 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.531 -13.228 0.584 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.721 -12.421 1.487 1.00 21.93 H new ATOM 190 N THR A 12 -2.916 -11.343 5.282 1.00 9.63 N ATOM 191 CA THR A 12 -1.781 -10.949 4.466 1.00 9.85 C ATOM 192 C THR A 12 -2.069 -11.043 2.978 1.00 11.66 C ATOM 193 O THR A 12 -2.508 -12.078 2.534 1.00 12.33 O ATOM 194 CB THR A 12 -0.514 -11.751 4.650 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.137 -11.736 6.011 1.00 10.91 O ATOM 196 CG2 THR A 12 0.570 -11.150 3.856 1.00 9.63 C ATOM 0 H THR A 12 -2.853 -12.291 5.653 1.00 9.63 H new ATOM 0 HA THR A 12 -1.625 -9.929 4.816 1.00 9.85 H new ATOM 0 HB THR A 12 -0.692 -12.776 4.324 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.684 -12.258 6.129 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.483 -11.730 3.990 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.292 -11.149 2.802 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.739 -10.125 4.187 1.00 9.63 H new ATOM 204 N ILE A 13 -1.812 -9.911 2.193 1.00 10.42 N ATOM 205 CA ILE A 13 -1.671 -9.954 0.809 1.00 11.84 C ATOM 206 C ILE A 13 -0.191 -9.876 0.523 1.00 10.55 C ATOM 207 O ILE A 13 0.451 -8.969 1.024 1.00 11.92 O ATOM 208 CB ILE A 13 -2.270 -8.800 0.114 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.452 -8.119 0.865 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.626 -9.319 -1.297 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.042 -6.943 0.098 1.00 16.46 C ATOM 0 H ILE A 13 -1.710 -8.975 2.584 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.166 -10.860 0.460 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.562 -7.973 0.065 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.234 -8.857 1.047 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.106 -7.774 1.839 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.078 -8.515 -1.877 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.721 -9.663 -1.797 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.331 -10.146 -1.213 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.861 -6.509 0.671 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.271 -6.189 -0.061 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.416 -7.288 -0.866 1.00 16.46 H new ATOM 223 N THR A 14 0.387 -10.829 -0.205 1.00 9.39 N ATOM 224 CA THR A 14 1.854 -10.957 -0.410 1.00 9.63 C ATOM 225 C THR A 14 2.183 -10.305 -1.757 1.00 11.20 C ATOM 226 O THR A 14 1.715 -10.807 -2.778 1.00 11.63 O ATOM 227 CB THR A 14 2.331 -12.405 -0.297 1.00 10.38 C ATOM 228 OG1 THR A 14 1.922 -13.033 0.937 1.00 16.30 O ATOM 229 CG2 THR A 14 3.907 -12.539 -0.418 1.00 11.66 C ATOM 0 H THR A 14 -0.148 -11.554 -0.683 1.00 9.39 H new ATOM 0 HA THR A 14 2.399 -10.441 0.381 1.00 9.63 H new ATOM 0 HB THR A 14 1.857 -12.914 -1.136 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.250 -13.956 0.959 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.191 -13.588 -0.331 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.232 -12.154 -1.385 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.383 -11.967 0.378 1.00 11.66 H new ATOM 237 N LEU A 15 2.927 -9.174 -1.783 1.00 8.29 N ATOM 238 CA LEU A 15 3.077 -8.484 -3.041 1.00 9.03 C ATOM 239 C LEU A 15 4.465 -8.581 -3.485 1.00 8.59 C ATOM 240 O LEU A 15 5.368 -8.956 -2.740 1.00 7.79 O ATOM 241 CB LEU A 15 2.637 -7.004 -2.899 1.00 11.08 C ATOM 242 CG LEU A 15 1.178 -6.799 -2.402 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.949 -5.229 -2.498 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.133 -7.595 -3.056 1.00 15.27 C ATOM 0 H LEU A 15 3.401 -8.755 -0.983 1.00 8.29 H new ATOM 0 HA LEU A 15 2.437 -8.950 -3.791 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.315 -6.504 -2.207 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.748 -6.513 -3.866 1.00 11.08 H new ATOM 0 HG LEU A 15 1.077 -7.184 -1.387 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.061 -4.988 -2.165 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.672 -4.716 -1.864 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.078 -4.905 -3.531 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.835 -7.356 -2.616 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.114 -7.365 -4.121 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.343 -8.656 -2.917 1.00 15.27 H new ATOM 256 N GLU A 16 4.739 -8.171 -4.674 1.00 11.04 N ATOM 257 CA GLU A 16 6.039 -8.097 -5.298 1.00 11.50 C ATOM 258 C GLU A 16 6.180 -6.702 -5.796 1.00 10.13 C ATOM 259 O GLU A 16 5.379 -6.174 -6.528 1.00 9.83 O ATOM 260 CB GLU A 16 6.152 -9.026 -6.470 1.00 17.22 C ATOM 261 CG GLU A 16 6.017 -10.547 -6.169 1.00 23.33 C ATOM 262 CD GLU A 16 6.747 -11.381 -7.173 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.411 -11.383 -8.391 1.00 28.86 O ATOM 264 OE2 GLU A 16 7.655 -12.112 -6.739 1.00 28.90 O ATOM 0 H GLU A 16 4.002 -7.847 -5.300 1.00 11.04 H new ATOM 0 HA GLU A 16 6.808 -8.378 -4.578 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.386 -8.753 -7.196 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.118 -8.857 -6.947 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.406 -10.756 -5.172 1.00 23.33 H new ATOM 0 HG3 GLU A 16 4.963 -10.824 -6.165 1.00 23.33 H new ATOM 271 N VAL A 17 7.252 -6.050 -5.380 1.00 8.99 N ATOM 272 CA VAL A 17 7.407 -4.582 -5.496 1.00 8.85 C ATOM 273 C VAL A 17 8.883 -4.349 -5.725 1.00 8.04 C ATOM 274 O VAL A 17 9.700 -5.208 -5.427 1.00 8.99 O ATOM 275 CB VAL A 17 6.893 -3.773 -4.315 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.372 -4.004 -4.071 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.709 -4.038 -3.062 1.00 10.54 C ATOM 0 H VAL A 17 8.052 -6.512 -4.948 1.00 8.99 H new ATOM 0 HA VAL A 17 6.784 -4.226 -6.317 1.00 8.85 H new ATOM 0 HB VAL A 17 7.018 -2.720 -4.568 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.046 -3.408 -3.219 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.812 -3.707 -4.958 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.193 -5.059 -3.865 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.314 -3.444 -2.238 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.651 -5.096 -2.807 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.749 -3.765 -3.241 1.00 10.54 H new ATOM 287 N GLU A 18 9.180 -3.138 -6.277 1.00 7.29 N ATOM 288 CA GLU A 18 10.540 -2.649 -6.434 1.00 7.08 C ATOM 289 C GLU A 18 10.747 -1.402 -5.606 1.00 6.45 C ATOM 290 O GLU A 18 9.774 -0.708 -5.405 1.00 5.28 O ATOM 291 CB GLU A 18 10.951 -2.252 -7.901 1.00 10.28 C ATOM 292 CG GLU A 18 10.894 -3.367 -8.975 1.00 12.65 C ATOM 293 CD GLU A 18 11.760 -4.530 -8.549 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.800 -4.378 -7.908 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.383 -5.679 -8.916 1.00 14.33 O ATOM 0 H GLU A 18 8.469 -2.491 -6.618 1.00 7.29 H new ATOM 0 HA GLU A 18 11.153 -3.494 -6.119 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.304 -1.437 -8.225 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.968 -1.860 -7.873 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.865 -3.699 -9.114 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.236 -2.979 -9.934 1.00 12.65 H new ATOM 302 N PRO A 19 11.924 -0.953 -4.972 1.00 7.24 N ATOM 303 CA PRO A 19 12.061 0.376 -4.399 1.00 7.07 C ATOM 304 C PRO A 19 11.469 1.618 -5.047 1.00 6.65 C ATOM 305 O PRO A 19 11.005 2.586 -4.440 1.00 6.37 O ATOM 306 CB PRO A 19 13.569 0.522 -4.337 1.00 7.61 C ATOM 307 CG PRO A 19 14.154 -0.858 -4.250 1.00 8.16 C ATOM 308 CD PRO A 19 13.157 -1.701 -5.076 1.00 7.49 C ATOM 0 HA PRO A 19 11.463 0.377 -3.487 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.940 1.041 -5.221 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.861 1.117 -3.472 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.161 -0.898 -4.666 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.221 -1.205 -3.219 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.479 -1.804 -6.112 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.052 -2.708 -4.673 1.00 7.49 H new ATOM 316 N SER A 20 11.572 1.643 -6.402 1.00 6.80 N ATOM 317 CA SER A 20 11.133 2.719 -7.296 1.00 6.28 C ATOM 318 C SER A 20 9.647 2.587 -7.653 1.00 8.45 C ATOM 319 O SER A 20 9.254 3.448 -8.413 1.00 7.26 O ATOM 320 CB SER A 20 11.951 2.957 -8.562 1.00 8.57 C ATOM 321 OG SER A 20 13.246 3.393 -8.100 1.00 11.13 O ATOM 0 H SER A 20 11.987 0.866 -6.916 1.00 6.80 H new ATOM 0 HA SER A 20 11.311 3.607 -6.690 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.031 2.047 -9.156 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.485 3.711 -9.196 1.00 8.57 H new ATOM 0 HG SER A 20 13.828 3.564 -8.870 1.00 11.13 H new ATOM 327 N ASP A 21 8.894 1.561 -7.132 1.00 7.50 N ATOM 328 CA ASP A 21 7.413 1.541 -7.331 1.00 7.70 C ATOM 329 C ASP A 21 6.839 2.676 -6.489 1.00 7.08 C ATOM 330 O ASP A 21 7.070 2.812 -5.321 1.00 8.11 O ATOM 331 CB ASP A 21 6.698 0.221 -6.860 1.00 11.00 C ATOM 332 CG ASP A 21 6.754 -0.784 -7.972 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.584 -0.471 -9.153 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.051 -1.954 -7.678 1.00 14.36 O ATOM 0 H ASP A 21 9.270 0.777 -6.598 1.00 7.50 H new ATOM 0 HA ASP A 21 7.238 1.630 -8.403 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.186 -0.175 -5.969 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.662 0.428 -6.591 1.00 11.00 H new ATOM 339 N THR A 22 6.043 3.538 -7.151 1.00 5.37 N ATOM 340 CA THR A 22 5.115 4.465 -6.451 1.00 6.01 C ATOM 341 C THR A 22 4.018 3.764 -5.514 1.00 8.01 C ATOM 342 O THR A 22 3.532 2.720 -5.833 1.00 8.11 O ATOM 343 CB THR A 22 4.377 5.563 -7.309 1.00 8.92 C ATOM 344 OG1 THR A 22 3.530 4.926 -8.271 1.00 10.22 O ATOM 345 CG2 THR A 22 5.359 6.434 -8.067 1.00 9.65 C ATOM 0 H THR A 22 6.020 3.616 -8.168 1.00 5.37 H new ATOM 0 HA THR A 22 5.860 4.979 -5.843 1.00 6.01 H new ATOM 0 HB THR A 22 3.803 6.184 -6.621 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.070 5.608 -8.804 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.813 7.178 -8.646 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.020 6.937 -7.361 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.952 5.814 -8.740 1.00 9.65 H new ATOM 353 N ILE A 23 3.484 4.442 -4.486 1.00 8.32 N ATOM 354 CA ILE A 23 2.361 4.089 -3.693 1.00 9.92 C ATOM 355 C ILE A 23 1.086 3.923 -4.509 1.00 10.01 C ATOM 356 O ILE A 23 0.377 2.977 -4.307 1.00 8.71 O ATOM 357 CB ILE A 23 2.092 4.996 -2.458 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.457 5.246 -1.725 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.953 4.397 -1.588 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.243 3.970 -1.330 1.00 12.30 C ATOM 0 H ILE A 23 3.886 5.329 -4.185 1.00 8.32 H new ATOM 0 HA ILE A 23 2.655 3.120 -3.290 1.00 9.92 H new ATOM 0 HB ILE A 23 1.716 5.979 -2.741 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.089 5.857 -2.369 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.265 5.827 -0.823 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.775 5.042 -0.727 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.042 4.324 -2.181 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.242 3.404 -1.244 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.169 4.253 -0.830 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.638 3.364 -0.656 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.475 3.394 -2.226 1.00 12.30 H new ATOM 372 N GLU A 24 0.904 4.792 -5.547 1.00 9.54 N ATOM 373 CA GLU A 24 -0.180 4.627 -6.523 1.00 11.81 C ATOM 374 C GLU A 24 -0.088 3.288 -7.298 1.00 11.14 C ATOM 375 O GLU A 24 -1.097 2.629 -7.580 1.00 10.62 O ATOM 376 CB GLU A 24 -0.031 5.823 -7.505 1.00 19.24 C ATOM 377 CG GLU A 24 -0.820 5.770 -8.838 1.00 27.76 C ATOM 378 CD GLU A 24 -1.008 7.115 -9.448 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.544 8.109 -8.831 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.726 7.224 -10.667 1.00 36.51 O ATOM 0 H GLU A 24 1.498 5.604 -5.716 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.146 4.608 -6.018 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.328 6.729 -6.976 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.027 5.928 -7.746 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.293 5.127 -9.542 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.795 5.316 -8.661 1.00 27.76 H new ATOM 387 N ASN A 25 1.111 2.817 -7.703 1.00 9.43 N ATOM 388 CA ASN A 25 1.219 1.521 -8.412 1.00 10.96 C ATOM 389 C ASN A 25 1.169 0.370 -7.347 1.00 9.68 C ATOM 390 O ASN A 25 0.813 -0.730 -7.706 1.00 9.33 O ATOM 391 CB ASN A 25 2.645 1.386 -9.144 1.00 16.78 C ATOM 392 CG ASN A 25 2.585 2.183 -10.453 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.933 1.756 -11.413 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.286 3.305 -10.499 1.00 24.70 N ATOM 0 H ASN A 25 1.998 3.299 -7.557 1.00 9.43 H new ATOM 0 HA ASN A 25 0.409 1.462 -9.139 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.440 1.767 -8.503 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.872 0.339 -9.346 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.305 3.860 -11.355 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.808 3.614 -9.679 1.00 24.70 H new ATOM 401 N VAL A 26 1.531 0.608 -6.029 1.00 6.52 N ATOM 402 CA VAL A 26 1.255 -0.345 -4.979 1.00 5.53 C ATOM 403 C VAL A 26 -0.278 -0.495 -4.775 1.00 4.42 C ATOM 404 O VAL A 26 -0.660 -1.654 -4.549 1.00 3.40 O ATOM 405 CB VAL A 26 2.020 -0.182 -3.682 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.576 -1.291 -2.617 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.447 -0.442 -4.041 1.00 8.12 C ATOM 0 H VAL A 26 2.007 1.453 -5.714 1.00 6.52 H new ATOM 0 HA VAL A 26 1.663 -1.287 -5.345 1.00 5.53 H new ATOM 0 HB VAL A 26 1.846 0.802 -3.247 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.139 -1.154 -1.693 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.510 -1.191 -2.411 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.776 -2.284 -3.020 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.070 -0.343 -3.152 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.543 -1.451 -4.441 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.770 0.279 -4.792 1.00 8.12 H new ATOM 417 N LYS A 27 -1.145 0.551 -4.842 1.00 2.64 N ATOM 418 CA LYS A 27 -2.617 0.445 -4.798 1.00 4.14 C ATOM 419 C LYS A 27 -3.171 -0.453 -5.932 1.00 5.58 C ATOM 420 O LYS A 27 -4.081 -1.267 -5.752 1.00 4.11 O ATOM 421 CB LYS A 27 -3.371 1.793 -4.825 1.00 3.97 C ATOM 422 CG LYS A 27 -2.829 2.689 -3.688 1.00 7.45 C ATOM 423 CD LYS A 27 -3.468 4.041 -3.491 1.00 9.02 C ATOM 424 CE LYS A 27 -2.739 4.817 -2.393 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.351 6.134 -2.187 1.00 15.47 N ATOM 0 H LYS A 27 -0.824 1.515 -4.930 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.806 -0.010 -3.826 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.234 2.283 -5.789 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.441 1.630 -4.699 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.921 2.136 -2.753 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.764 2.844 -3.863 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.439 4.604 -4.424 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.518 3.919 -3.224 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.766 4.250 -1.463 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.690 4.937 -2.663 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.651 6.781 -1.771 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.674 6.513 -3.100 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.163 6.043 -1.544 1.00 15.47 H new ATOM 439 N ALA A 28 -2.576 -0.274 -7.129 1.00 6.61 N ATOM 440 CA ALA A 28 -2.929 -1.113 -8.286 1.00 7.74 C ATOM 441 C ALA A 28 -2.555 -2.600 -8.101 1.00 9.17 C ATOM 442 O ALA A 28 -3.371 -3.485 -8.321 1.00 11.45 O ATOM 443 CB ALA A 28 -2.401 -0.528 -9.567 1.00 7.68 C ATOM 0 H ALA A 28 -1.863 0.431 -7.316 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.017 -1.108 -8.356 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.678 -1.171 -10.402 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.826 0.464 -9.716 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.315 -0.453 -9.512 1.00 7.68 H new ATOM 449 N LYS A 29 -1.350 -2.946 -7.575 1.00 8.96 N ATOM 450 CA LYS A 29 -0.995 -4.321 -7.135 1.00 7.90 C ATOM 451 C LYS A 29 -2.026 -4.956 -6.140 1.00 6.92 C ATOM 452 O LYS A 29 -2.603 -6.042 -6.402 1.00 6.87 O ATOM 453 CB LYS A 29 0.397 -4.269 -6.541 1.00 10.28 C ATOM 454 CG LYS A 29 1.507 -4.182 -7.586 1.00 14.94 C ATOM 455 CD LYS A 29 2.925 -3.975 -6.990 1.00 19.69 C ATOM 456 CE LYS A 29 3.954 -3.624 -8.014 1.00 22.63 C ATOM 457 NZ LYS A 29 4.364 -4.756 -8.851 1.00 24.98 N ATOM 0 H LYS A 29 -0.594 -2.274 -7.444 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.022 -4.979 -8.003 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.467 -3.408 -5.877 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.555 -5.157 -5.929 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.504 -5.096 -8.180 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.287 -3.359 -8.266 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.884 -3.184 -6.241 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.231 -4.886 -6.476 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.562 -2.834 -8.654 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.832 -3.220 -7.510 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.040 -4.429 -9.570 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.814 -5.482 -8.257 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.529 -5.161 -9.320 1.00 24.98 H new ATOM 471 N ILE A 30 -2.404 -4.173 -5.120 1.00 4.57 N ATOM 472 CA ILE A 30 -3.502 -4.522 -4.170 1.00 5.58 C ATOM 473 C ILE A 30 -4.893 -4.761 -4.853 1.00 7.26 C ATOM 474 O ILE A 30 -5.570 -5.744 -4.642 1.00 9.46 O ATOM 475 CB ILE A 30 -3.554 -3.454 -3.098 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.184 -3.473 -2.321 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.808 -3.692 -2.155 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.125 -2.242 -1.353 1.00 2.00 C ATOM 0 H ILE A 30 -1.964 -3.275 -4.919 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.273 -5.489 -3.723 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.684 -2.463 -3.532 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.085 -4.400 -1.756 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.352 -3.438 -3.025 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.837 -2.919 -1.387 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.722 -3.650 -2.747 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.727 -4.671 -1.682 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.179 -2.250 -0.812 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.206 -1.321 -1.930 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.950 -2.298 -0.642 1.00 2.00 H new ATOM 490 N GLN A 31 -5.207 -3.831 -5.770 1.00 7.06 N ATOM 491 CA GLN A 31 -6.433 -3.944 -6.570 1.00 8.67 C ATOM 492 C GLN A 31 -6.424 -5.191 -7.558 1.00 10.90 C ATOM 493 O GLN A 31 -7.366 -5.932 -7.707 1.00 9.63 O ATOM 494 CB GLN A 31 -6.756 -2.628 -7.355 1.00 9.12 C ATOM 495 CG GLN A 31 -8.068 -2.715 -8.273 1.00 10.76 C ATOM 496 CD GLN A 31 -8.381 -1.468 -9.132 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.520 -1.007 -9.170 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.349 -0.912 -9.863 1.00 14.76 N ATOM 0 H GLN A 31 -4.639 -3.008 -5.972 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.230 -4.112 -5.845 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.879 -1.813 -6.641 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.902 -2.375 -7.984 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.965 -3.573 -8.938 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.925 -2.912 -7.629 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.413 -1.315 -9.813 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.523 -0.098 -10.453 1.00 14.76 H new ATOM 507 N ASP A 32 -5.342 -5.440 -8.222 1.00 10.93 N ATOM 508 CA ASP A 32 -5.075 -6.551 -9.112 1.00 14.01 C ATOM 509 C ASP A 32 -5.132 -7.868 -8.345 1.00 14.04 C ATOM 510 O ASP A 32 -5.578 -8.836 -8.846 1.00 13.39 O ATOM 511 CB ASP A 32 -3.743 -6.282 -9.804 1.00 18.01 C ATOM 512 CG ASP A 32 -3.268 -7.373 -10.792 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.688 -7.448 -11.965 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.431 -8.196 -10.314 1.00 25.17 O ATOM 0 H ASP A 32 -4.538 -4.816 -8.156 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.836 -6.644 -9.887 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.819 -5.338 -10.343 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.977 -6.152 -9.039 1.00 18.01 H new ATOM 519 N LYS A 33 -4.630 -7.931 -7.101 1.00 14.22 N ATOM 520 CA LYS A 33 -4.818 -9.023 -6.256 1.00 14.00 C ATOM 521 C LYS A 33 -6.266 -9.243 -5.775 1.00 12.37 C ATOM 522 O LYS A 33 -6.771 -10.387 -5.853 1.00 12.17 O ATOM 523 CB LYS A 33 -3.848 -8.885 -5.040 1.00 18.62 C ATOM 524 CG LYS A 33 -2.445 -9.154 -5.352 1.00 24.00 C ATOM 525 CD LYS A 33 -2.021 -10.597 -5.477 1.00 27.61 C ATOM 526 CE LYS A 33 -0.521 -10.701 -5.805 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.278 -10.471 -7.241 1.00 30.06 N ATOM 0 H LYS A 33 -4.075 -7.183 -6.686 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.595 -9.912 -6.846 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.931 -7.875 -4.638 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.170 -9.569 -4.255 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.207 -8.652 -6.290 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.834 -8.690 -4.578 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.231 -11.124 -4.546 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.603 -11.085 -6.259 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.035 -9.971 -5.217 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.151 -11.687 -5.523 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.741 -10.546 -7.437 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.792 -11.183 -7.798 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.611 -9.521 -7.502 1.00 30.06 H new ATOM 541 N GLU A 34 -6.910 -8.236 -5.221 1.00 10.11 N ATOM 542 CA GLU A 34 -8.054 -8.400 -4.330 1.00 10.07 C ATOM 543 C GLU A 34 -9.316 -7.723 -4.711 1.00 9.32 C ATOM 544 O GLU A 34 -10.367 -8.009 -4.163 1.00 11.61 O ATOM 545 CB GLU A 34 -7.712 -7.926 -2.899 1.00 14.77 C ATOM 546 CG GLU A 34 -6.628 -8.806 -2.184 1.00 18.75 C ATOM 547 CD GLU A 34 -7.142 -10.202 -1.764 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.972 -10.389 -0.855 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.748 -11.132 -2.527 1.00 25.19 O ATOM 0 H GLU A 34 -6.653 -7.261 -5.376 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.242 -9.471 -4.401 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.360 -6.895 -2.942 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.622 -7.927 -2.299 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.774 -8.928 -2.850 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.270 -8.279 -1.300 1.00 18.75 H new ATOM 556 N GLY A 35 -9.287 -6.827 -5.719 1.00 7.22 N ATOM 557 CA GLY A 35 -10.531 -6.180 -6.204 1.00 6.29 C ATOM 558 C GLY A 35 -10.831 -4.854 -5.620 1.00 6.93 C ATOM 559 O GLY A 35 -11.853 -4.240 -5.972 1.00 7.41 O ATOM 0 H GLY A 35 -8.439 -6.538 -6.206 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.466 -6.074 -7.287 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.369 -6.846 -5.999 1.00 6.29 H new ATOM 563 N ILE A 36 -9.999 -4.352 -4.715 1.00 5.86 N ATOM 564 CA ILE A 36 -10.236 -3.178 -4.001 1.00 6.07 C ATOM 565 C ILE A 36 -9.829 -1.990 -4.817 1.00 6.36 C ATOM 566 O ILE A 36 -8.601 -1.739 -4.942 1.00 6.18 O ATOM 567 CB ILE A 36 -9.402 -3.223 -2.703 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.694 -4.402 -1.823 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.476 -1.921 -1.891 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.611 -4.692 -0.814 1.00 9.49 C ATOM 0 H ILE A 36 -9.113 -4.797 -4.474 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.297 -3.094 -3.768 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.379 -3.341 -3.061 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.631 -4.226 -1.295 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.840 -5.283 -2.448 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -8.868 -2.018 -0.991 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.101 -1.094 -2.494 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.511 -1.726 -1.610 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.894 -5.558 -0.215 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.676 -4.901 -1.334 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.479 -3.828 -0.163 1.00 9.49 H new ATOM 582 N PRO A 37 -10.683 -1.219 -5.467 1.00 8.65 N ATOM 583 CA PRO A 37 -10.269 -0.026 -6.158 1.00 9.18 C ATOM 584 C PRO A 37 -9.437 0.972 -5.363 1.00 9.85 C ATOM 585 O PRO A 37 -9.668 1.011 -4.159 1.00 8.51 O ATOM 586 CB PRO A 37 -11.632 0.600 -6.558 1.00 11.42 C ATOM 587 CG PRO A 37 -12.513 0.298 -5.400 1.00 9.27 C ATOM 588 CD PRO A 37 -12.092 -1.156 -5.152 1.00 8.33 C ATOM 0 HA PRO A 37 -9.591 -0.278 -6.973 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.546 1.674 -6.726 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.018 0.163 -7.479 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.320 0.944 -4.544 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.572 0.395 -5.640 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.274 -1.444 -4.117 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.663 -1.841 -5.779 1.00 8.33 H new ATOM 596 N PRO A 38 -8.433 1.692 -5.934 1.00 8.71 N ATOM 597 CA PRO A 38 -7.461 2.576 -5.227 1.00 9.08 C ATOM 598 C PRO A 38 -8.292 3.808 -4.775 1.00 9.28 C ATOM 599 O PRO A 38 -7.741 4.579 -3.979 1.00 6.50 O ATOM 600 CB PRO A 38 -6.419 2.885 -6.315 1.00 10.31 C ATOM 601 CG PRO A 38 -7.122 2.733 -7.656 1.00 10.81 C ATOM 602 CD PRO A 38 -8.090 1.579 -7.372 1.00 12.00 C ATOM 0 HA PRO A 38 -6.957 2.179 -4.346 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.026 3.895 -6.197 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.572 2.203 -6.243 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.645 3.643 -7.949 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.425 2.494 -8.459 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.982 1.653 -7.995 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.627 0.616 -7.590 1.00 12.00 H new ATOM 610 N ASP A 39 -9.536 3.981 -5.169 1.00 11.20 N ATOM 611 CA ASP A 39 -10.345 5.065 -4.644 1.00 14.96 C ATOM 612 C ASP A 39 -10.665 4.834 -3.202 1.00 13.99 C ATOM 613 O ASP A 39 -10.732 5.750 -2.376 1.00 13.75 O ATOM 614 CB ASP A 39 -11.685 5.046 -5.349 1.00 24.16 C ATOM 615 CG ASP A 39 -11.337 5.230 -6.859 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.850 6.308 -7.265 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.576 4.267 -7.679 1.00 35.55 O ATOM 0 H ASP A 39 -10.010 3.387 -5.850 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.794 5.995 -4.784 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -12.211 4.108 -5.175 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -12.333 5.846 -4.991 1.00 24.16 H new ATOM 622 N GLN A 40 -10.836 3.548 -2.826 1.00 11.60 N ATOM 623 CA GLN A 40 -11.166 3.085 -1.489 1.00 10.76 C ATOM 624 C GLN A 40 -9.981 2.962 -0.504 1.00 8.01 C ATOM 625 O GLN A 40 -9.990 3.217 0.687 1.00 8.96 O ATOM 626 CB GLN A 40 -12.019 1.821 -1.641 1.00 11.14 C ATOM 627 CG GLN A 40 -12.423 1.147 -0.301 1.00 14.85 C ATOM 628 CD GLN A 40 -13.040 -0.238 -0.563 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.503 -1.199 -0.063 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.277 -0.241 -1.095 1.00 18.16 N ATOM 0 H GLN A 40 -10.740 2.779 -3.489 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.744 3.859 -0.984 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.925 2.074 -2.192 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.470 1.098 -2.245 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.548 1.047 0.342 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.138 1.776 0.229 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.660 0.613 -1.499 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.831 -1.098 -1.094 1.00 18.16 H new ATOM 639 N GLN A 41 -8.813 2.512 -1.021 1.00 6.52 N ATOM 640 CA GLN A 41 -7.524 2.344 -0.320 1.00 3.87 C ATOM 641 C GLN A 41 -6.963 3.601 0.240 1.00 4.79 C ATOM 642 O GLN A 41 -6.953 4.661 -0.390 1.00 6.34 O ATOM 643 CB GLN A 41 -6.472 1.763 -1.266 1.00 4.20 C ATOM 644 CG GLN A 41 -6.903 0.476 -1.900 1.00 3.20 C ATOM 645 CD GLN A 41 -5.833 -0.160 -2.782 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.660 -0.095 -2.506 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.200 -0.661 -3.984 1.00 7.13 N ATOM 0 H GLN A 41 -8.745 2.240 -2.002 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.747 1.673 0.509 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.252 2.491 -2.047 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.547 1.598 -0.714 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.183 -0.229 -1.117 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.795 0.657 -2.499 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.188 -0.722 -4.231 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.489 -0.978 -4.643 1.00 7.13 H new ATOM 656 N ARG A 42 -6.266 3.450 1.363 1.00 5.73 N ATOM 657 CA ARG A 42 -5.288 4.304 1.951 1.00 6.97 C ATOM 658 C ARG A 42 -4.314 3.311 2.570 1.00 7.15 C ATOM 659 O ARG A 42 -4.701 2.352 3.219 1.00 7.33 O ATOM 660 CB ARG A 42 -5.947 5.240 2.954 1.00 13.23 C ATOM 661 CG ARG A 42 -5.050 6.188 3.755 1.00 21.27 C ATOM 662 CD ARG A 42 -5.635 6.679 5.100 1.00 26.14 C ATOM 663 NE ARG A 42 -6.803 7.638 4.833 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.849 7.748 5.662 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.979 6.958 6.747 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.887 8.573 5.350 1.00 36.39 N ATOM 0 H ARG A 42 -6.406 2.618 1.937 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.781 4.977 1.260 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.675 5.846 2.415 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.504 4.629 3.664 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.103 5.685 3.952 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.826 7.057 3.137 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -5.976 5.830 5.691 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.863 7.183 5.682 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.782 8.214 3.991 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.270 6.254 6.954 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.786 7.064 7.361 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.869 9.109 4.483 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.682 8.654 5.984 1.00 36.39 H new ATOM 680 N LEU A 43 -2.971 3.569 2.310 1.00 4.65 N ATOM 681 CA LEU A 43 -1.832 2.700 2.649 1.00 3.51 C ATOM 682 C LEU A 43 -0.966 3.390 3.703 1.00 5.56 C ATOM 683 O LEU A 43 -0.636 4.587 3.656 1.00 4.19 O ATOM 684 CB LEU A 43 -1.002 2.293 1.403 1.00 3.74 C ATOM 685 CG LEU A 43 -1.692 1.691 0.231 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.623 1.049 -0.711 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.836 0.669 0.546 1.00 6.41 C ATOM 0 H LEU A 43 -2.675 4.425 1.842 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.223 1.769 3.060 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.479 3.183 1.053 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.241 1.586 1.733 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.215 2.516 -0.253 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.119 0.604 -1.574 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.073 1.817 -1.048 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.077 0.277 -0.169 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.261 0.300 -0.387 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.430 -0.167 1.115 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.614 1.162 1.129 1.00 6.41 H new ATOM 699 N ILE A 44 -0.634 2.599 4.739 1.00 4.58 N ATOM 700 CA ILE A 44 0.061 3.056 5.960 1.00 5.55 C ATOM 701 C ILE A 44 1.298 2.152 6.091 1.00 5.46 C ATOM 702 O ILE A 44 1.231 0.969 5.666 1.00 6.04 O ATOM 703 CB ILE A 44 -0.816 2.931 7.177 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.210 3.542 6.964 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.177 3.495 8.488 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.261 5.095 6.770 1.00 13.90 C ATOM 0 H ILE A 44 -0.845 1.601 4.753 1.00 4.58 H new ATOM 0 HA ILE A 44 0.328 4.110 5.888 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.924 1.855 7.316 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.660 3.072 6.089 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.832 3.283 7.821 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.873 3.366 9.317 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.747 2.957 8.703 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.042 4.555 8.359 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.295 5.410 6.629 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.849 5.586 7.652 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.674 5.372 5.894 1.00 13.90 H new ATOM 718 N PHE A 45 2.332 2.710 6.777 1.00 6.75 N ATOM 719 CA PHE A 45 3.426 2.106 7.403 1.00 4.70 C ATOM 720 C PHE A 45 3.937 3.008 8.500 1.00 6.34 C ATOM 721 O PHE A 45 4.149 4.249 8.298 1.00 5.45 O ATOM 722 CB PHE A 45 4.531 1.698 6.306 1.00 5.51 C ATOM 723 CG PHE A 45 5.998 1.663 6.706 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.440 0.585 7.538 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.897 2.580 6.194 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.801 0.460 7.788 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.237 2.520 6.550 1.00 6.64 C ATOM 728 CZ PHE A 45 8.689 1.472 7.422 1.00 6.84 C ATOM 0 H PHE A 45 2.374 3.723 6.888 1.00 6.75 H new ATOM 0 HA PHE A 45 3.135 1.174 7.887 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.270 0.709 5.930 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.435 2.392 5.471 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.733 -0.114 7.961 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.555 3.346 5.514 1.00 5.87 H new ATOM 0 HE1 PHE A 45 8.176 -0.430 8.271 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.934 3.255 6.175 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.704 1.467 7.790 1.00 6.84 H new ATOM 738 N ALA A 46 4.117 2.463 9.723 1.00 6.53 N ATOM 739 CA ALA A 46 4.789 3.024 10.887 1.00 7.15 C ATOM 740 C ALA A 46 3.977 4.185 11.480 1.00 9.00 C ATOM 741 O ALA A 46 4.459 4.978 12.300 1.00 11.15 O ATOM 742 CB ALA A 46 6.276 3.485 10.650 1.00 8.99 C ATOM 0 H ALA A 46 3.756 1.531 9.926 1.00 6.53 H new ATOM 0 HA ALA A 46 4.846 2.194 11.592 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.684 3.887 11.577 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.875 2.632 10.329 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.300 4.255 9.879 1.00 8.99 H new ATOM 748 N GLY A 47 2.617 4.250 11.109 1.00 9.35 N ATOM 749 CA GLY A 47 1.665 5.215 11.472 1.00 11.68 C ATOM 750 C GLY A 47 1.507 6.393 10.501 1.00 11.14 C ATOM 751 O GLY A 47 0.691 7.257 10.759 1.00 13.93 O ATOM 0 H GLY A 47 2.210 3.538 10.503 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.698 4.723 11.578 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.931 5.610 12.453 1.00 11.68 H new ATOM 755 N LYS A 48 2.307 6.405 9.426 1.00 10.47 N ATOM 756 CA LYS A 48 2.420 7.424 8.509 1.00 8.82 C ATOM 757 C LYS A 48 1.594 7.085 7.281 1.00 7.68 C ATOM 758 O LYS A 48 1.658 5.940 6.810 1.00 6.47 O ATOM 759 CB LYS A 48 3.942 7.592 8.230 1.00 9.74 C ATOM 760 CG LYS A 48 4.811 7.554 9.512 1.00 14.14 C ATOM 761 CD LYS A 48 6.221 7.960 9.192 1.00 16.32 C ATOM 762 CE LYS A 48 7.041 7.008 8.334 1.00 20.04 C ATOM 763 NZ LYS A 48 8.359 7.671 8.081 1.00 23.92 N ATOM 0 H LYS A 48 2.917 5.618 9.205 1.00 10.47 H new ATOM 0 HA LYS A 48 2.029 8.376 8.867 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.269 6.801 7.555 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.107 8.539 7.716 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.393 8.224 10.264 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.801 6.551 9.938 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.188 8.926 8.688 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.751 8.109 10.133 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.181 6.054 8.842 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.529 6.797 7.395 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.953 7.050 7.495 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.205 8.572 7.585 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.836 7.852 8.987 1.00 23.92 H new ATOM 777 N GLN A 49 0.844 8.046 6.768 1.00 8.89 N ATOM 778 CA GLN A 49 0.066 7.898 5.565 1.00 7.18 C ATOM 779 C GLN A 49 0.949 8.000 4.366 1.00 8.23 C ATOM 780 O GLN A 49 1.845 8.853 4.189 1.00 9.70 O ATOM 781 CB GLN A 49 -1.053 8.994 5.433 1.00 11.67 C ATOM 782 CG GLN A 49 -2.129 8.669 4.409 1.00 15.82 C ATOM 783 CD GLN A 49 -3.357 9.552 4.610 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.991 9.290 5.641 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.779 10.399 3.703 1.00 20.67 N ATOM 0 H GLN A 49 0.762 8.970 7.192 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.408 6.918 5.624 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.524 9.135 6.406 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.587 9.942 5.165 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.734 8.812 3.403 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.413 7.620 4.494 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.216 10.578 2.871 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.670 10.879 3.829 1.00 20.67 H new ATOM 794 N LEU A 50 0.800 6.977 3.513 1.00 6.51 N ATOM 795 CA LEU A 50 1.583 6.828 2.297 1.00 7.41 C ATOM 796 C LEU A 50 0.879 7.412 1.110 1.00 8.27 C ATOM 797 O LEU A 50 -0.278 7.105 0.815 1.00 8.34 O ATOM 798 CB LEU A 50 2.012 5.387 1.968 1.00 7.13 C ATOM 799 CG LEU A 50 2.597 4.526 3.112 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.036 3.121 2.644 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.799 5.187 3.842 1.00 9.11 C ATOM 0 H LEU A 50 0.124 6.227 3.657 1.00 6.51 H new ATOM 0 HA LEU A 50 2.496 7.384 2.509 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.145 4.864 1.566 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.754 5.433 1.171 1.00 7.13 H new ATOM 0 HG LEU A 50 1.766 4.437 3.812 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.438 2.565 3.491 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.177 2.589 2.235 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.803 3.217 1.876 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.155 4.524 4.631 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.603 5.367 3.129 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.483 6.134 4.279 1.00 9.11 H new ATOM 813 N GLU A 51 1.609 8.397 0.481 1.00 9.43 N ATOM 814 CA GLU A 51 1.080 9.319 -0.494 1.00 11.90 C ATOM 815 C GLU A 51 1.442 8.995 -1.902 1.00 11.49 C ATOM 816 O GLU A 51 2.613 8.873 -2.217 1.00 9.88 O ATOM 817 CB GLU A 51 1.449 10.824 -0.150 1.00 16.56 C ATOM 818 CG GLU A 51 0.724 11.896 -1.010 1.00 26.06 C ATOM 819 CD GLU A 51 1.171 13.278 -0.703 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.339 13.614 -0.945 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.354 14.069 -0.132 1.00 33.44 O ATOM 0 H GLU A 51 2.601 8.544 0.668 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.002 9.202 -0.426 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.219 11.007 0.900 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.525 10.954 -0.268 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.900 11.688 -2.065 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.351 11.822 -0.845 1.00 26.06 H new ATOM 828 N ASP A 52 0.428 8.788 -2.776 1.00 12.71 N ATOM 829 CA ASP A 52 0.500 8.246 -4.084 1.00 16.56 C ATOM 830 C ASP A 52 1.677 8.597 -5.004 1.00 15.83 C ATOM 831 O ASP A 52 2.268 7.740 -5.649 1.00 17.21 O ATOM 832 CB ASP A 52 -0.823 8.706 -4.822 1.00 21.05 C ATOM 833 CG ASP A 52 -2.015 8.119 -4.058 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.366 8.621 -2.941 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.742 7.265 -4.673 1.00 28.37 O ATOM 0 H ASP A 52 -0.531 9.030 -2.526 1.00 12.71 H new ATOM 0 HA ASP A 52 0.641 7.179 -3.915 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.886 9.794 -4.850 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.824 8.360 -5.856 1.00 21.05 H new ATOM 840 N GLY A 53 2.025 9.854 -5.050 1.00 15.00 N ATOM 841 CA GLY A 53 3.015 10.380 -5.952 1.00 11.77 C ATOM 842 C GLY A 53 4.460 10.168 -5.509 1.00 11.10 C ATOM 843 O GLY A 53 5.466 10.575 -6.128 1.00 11.25 O ATOM 0 H GLY A 53 1.615 10.563 -4.442 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.878 9.918 -6.930 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.841 11.449 -6.077 1.00 11.77 H new ATOM 847 N ARG A 54 4.625 9.412 -4.436 1.00 8.53 N ATOM 848 CA ARG A 54 5.908 9.122 -3.839 1.00 9.05 C ATOM 849 C ARG A 54 6.198 7.592 -4.007 1.00 8.96 C ATOM 850 O ARG A 54 5.276 6.747 -4.236 1.00 11.60 O ATOM 851 CB ARG A 54 6.096 9.545 -2.376 1.00 7.97 C ATOM 852 CG ARG A 54 5.494 10.916 -1.965 1.00 9.62 C ATOM 853 CD ARG A 54 6.021 11.451 -0.599 1.00 12.20 C ATOM 854 NE ARG A 54 5.106 12.524 -0.196 1.00 18.23 N ATOM 855 CZ ARG A 54 4.992 12.978 1.067 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.998 12.768 1.899 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.894 13.605 1.425 1.00 23.38 N ATOM 0 H ARG A 54 3.845 8.973 -3.946 1.00 8.53 H new ATOM 0 HA ARG A 54 6.627 9.742 -4.375 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.657 8.776 -1.740 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.165 9.564 -2.162 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.717 11.648 -2.742 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.409 10.825 -1.915 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.042 10.657 0.148 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.040 11.825 -0.695 1.00 12.20 H new ATOM 0 HE ARG A 54 4.522 12.952 -0.914 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.831 12.274 1.578 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.941 13.100 2.862 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.142 13.742 0.750 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.794 13.954 2.378 1.00 23.38 H new ATOM 871 N THR A 55 7.465 7.163 -3.948 1.00 9.05 N ATOM 872 CA THR A 55 7.967 5.790 -4.144 1.00 9.03 C ATOM 873 C THR A 55 8.236 5.083 -2.797 1.00 8.15 C ATOM 874 O THR A 55 8.156 5.676 -1.762 1.00 5.91 O ATOM 875 CB THR A 55 9.306 5.696 -4.981 1.00 11.15 C ATOM 876 OG1 THR A 55 10.321 6.330 -4.273 1.00 11.95 O ATOM 877 CG2 THR A 55 9.202 6.398 -6.316 1.00 11.71 C ATOM 0 H THR A 55 8.226 7.812 -3.747 1.00 9.05 H new ATOM 0 HA THR A 55 7.168 5.304 -4.703 1.00 9.03 H new ATOM 0 HB THR A 55 9.506 4.638 -5.149 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.062 7.257 -4.090 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.147 6.304 -6.851 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.405 5.944 -6.905 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.979 7.453 -6.156 1.00 11.71 H new ATOM 885 N LEU A 56 8.437 3.745 -2.848 1.00 6.91 N ATOM 886 CA LEU A 56 8.804 2.965 -1.699 1.00 8.29 C ATOM 887 C LEU A 56 10.171 3.371 -0.984 1.00 8.05 C ATOM 888 O LEU A 56 10.230 3.414 0.231 1.00 10.17 O ATOM 889 CB LEU A 56 8.827 1.455 -2.014 1.00 6.60 C ATOM 890 CG LEU A 56 7.404 0.854 -2.290 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.406 -0.553 -2.708 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.405 1.101 -1.178 1.00 8.64 C ATOM 0 H LEU A 56 8.342 3.197 -3.703 1.00 6.91 H new ATOM 0 HA LEU A 56 8.013 3.198 -0.986 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.461 1.282 -2.884 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.282 0.924 -1.178 1.00 6.60 H new ATOM 0 HG LEU A 56 7.060 1.424 -3.153 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.381 -0.884 -2.876 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.977 -0.658 -3.630 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.861 -1.164 -1.928 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.447 0.655 -1.444 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.770 0.652 -0.254 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.278 2.174 -1.034 1.00 8.64 H new ATOM 904 N SER A 57 11.243 3.698 -1.786 1.00 8.92 N ATOM 905 CA SER A 57 12.461 4.409 -1.302 1.00 9.00 C ATOM 906 C SER A 57 12.164 5.700 -0.505 1.00 9.44 C ATOM 907 O SER A 57 12.817 5.903 0.500 1.00 10.91 O ATOM 908 CB SER A 57 13.486 4.701 -2.455 1.00 10.32 C ATOM 909 OG SER A 57 13.116 5.688 -3.380 1.00 13.59 O ATOM 0 H SER A 57 11.277 3.472 -2.780 1.00 8.92 H new ATOM 0 HA SER A 57 12.919 3.709 -0.603 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.434 4.993 -2.004 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.664 3.773 -2.998 1.00 10.32 H new ATOM 0 HG SER A 57 12.141 5.695 -3.478 1.00 13.59 H new ATOM 915 N ASP A 58 11.216 6.531 -0.940 1.00 9.11 N ATOM 916 CA ASP A 58 10.902 7.776 -0.287 1.00 7.91 C ATOM 917 C ASP A 58 10.447 7.601 1.147 1.00 9.12 C ATOM 918 O ASP A 58 10.705 8.378 2.049 1.00 8.61 O ATOM 919 CB ASP A 58 9.839 8.550 -0.976 1.00 8.41 C ATOM 920 CG ASP A 58 10.329 8.978 -2.296 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.409 9.617 -2.368 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.659 8.774 -3.380 1.00 11.70 O ATOM 0 H ASP A 58 10.646 6.345 -1.765 1.00 9.11 H new ATOM 0 HA ASP A 58 11.847 8.318 -0.322 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.943 7.940 -1.088 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.560 9.419 -0.379 1.00 8.41 H new ATOM 927 N TYR A 59 9.750 6.557 1.423 1.00 7.97 N ATOM 928 CA TYR A 59 9.310 6.204 2.725 1.00 8.45 C ATOM 929 C TYR A 59 10.260 5.218 3.369 1.00 10.98 C ATOM 930 O TYR A 59 10.027 4.901 4.553 1.00 12.95 O ATOM 931 CB TYR A 59 7.897 5.601 2.720 1.00 7.94 C ATOM 932 CG TYR A 59 6.896 6.616 2.436 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.481 7.593 3.376 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.374 6.611 1.114 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.436 8.432 3.027 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.399 7.572 0.761 1.00 6.52 C ATOM 937 CZ TYR A 59 4.907 8.475 1.717 1.00 6.76 C ATOM 938 OH TYR A 59 4.000 9.484 1.452 1.00 7.63 O ATOM 0 H TYR A 59 9.456 5.891 0.709 1.00 7.97 H new ATOM 0 HA TYR A 59 9.289 7.129 3.301 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.839 4.809 1.973 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.690 5.143 3.687 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.966 7.680 4.337 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.716 5.885 0.391 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.010 9.076 3.782 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.029 7.612 -0.253 1.00 6.52 H new ATOM 0 HH TYR A 59 4.204 10.262 2.011 1.00 7.63 H new ATOM 948 N ASN A 60 11.334 4.795 2.693 1.00 12.38 N ATOM 949 CA ASN A 60 12.419 3.900 3.100 1.00 13.94 C ATOM 950 C ASN A 60 11.994 2.519 3.357 1.00 14.16 C ATOM 951 O ASN A 60 12.559 1.823 4.167 1.00 14.26 O ATOM 952 CB ASN A 60 13.298 4.489 4.239 1.00 19.23 C ATOM 953 CG ASN A 60 14.652 3.757 4.547 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.372 3.422 3.580 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.065 3.598 5.779 1.00 24.09 N ATOM 0 H ASN A 60 11.478 5.111 1.734 1.00 12.38 H new ATOM 0 HA ASN A 60 13.065 3.832 2.225 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.523 5.526 3.991 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.704 4.501 5.153 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.985 3.196 5.961 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.467 3.876 6.557 1.00 24.09 H new ATOM 962 N ILE A 61 10.987 1.993 2.595 1.00 11.08 N ATOM 963 CA ILE A 61 10.341 0.672 2.767 1.00 11.78 C ATOM 964 C ILE A 61 11.298 -0.390 2.313 1.00 13.74 C ATOM 965 O ILE A 61 11.790 -0.425 1.193 1.00 14.60 O ATOM 966 CB ILE A 61 8.942 0.664 2.169 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.034 1.496 3.084 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.498 -0.855 2.078 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.823 1.933 2.208 1.00 11.42 C ATOM 0 H ILE A 61 10.592 2.511 1.810 1.00 11.08 H new ATOM 0 HA ILE A 61 10.141 0.441 3.813 1.00 11.78 H new ATOM 0 HB ILE A 61 8.891 1.103 1.173 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.703 0.911 3.942 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.565 2.364 3.476 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.496 -0.916 1.653 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.196 -1.401 1.442 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.497 -1.294 3.076 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.137 2.532 2.808 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.179 2.524 1.364 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.304 1.049 1.838 1.00 11.42 H new ATOM 981 N GLN A 62 11.639 -1.267 3.260 1.00 13.97 N ATOM 982 CA GLN A 62 12.575 -2.358 3.059 1.00 15.52 C ATOM 983 C GLN A 62 11.931 -3.683 2.554 1.00 13.94 C ATOM 984 O GLN A 62 10.731 -3.854 2.531 1.00 12.15 O ATOM 985 CB GLN A 62 13.506 -2.545 4.301 1.00 19.53 C ATOM 986 CG GLN A 62 14.243 -1.339 4.858 1.00 26.38 C ATOM 987 CD GLN A 62 15.283 -0.785 3.881 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.426 -1.180 4.033 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.801 0.063 2.909 1.00 32.71 N ATOM 0 H GLN A 62 11.260 -1.231 4.206 1.00 13.97 H new ATOM 0 HA GLN A 62 13.209 -2.058 2.225 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.901 -2.961 5.106 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.252 -3.296 4.042 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.523 -0.557 5.099 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.736 -1.617 5.790 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.813 0.315 2.897 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.432 0.439 2.201 1.00 32.71 H new ATOM 998 N LYS A 63 12.700 -4.696 2.162 1.00 11.73 N ATOM 999 CA LYS A 63 12.166 -5.990 1.905 1.00 11.97 C ATOM 1000 C LYS A 63 11.655 -6.678 3.212 1.00 10.41 C ATOM 1001 O LYS A 63 12.119 -6.558 4.353 1.00 9.59 O ATOM 1002 CB LYS A 63 13.122 -6.984 1.183 1.00 13.73 C ATOM 1003 CG LYS A 63 14.519 -7.193 1.898 1.00 16.98 C ATOM 1004 CD LYS A 63 15.249 -8.331 1.243 1.00 20.19 C ATOM 1005 CE LYS A 63 16.485 -8.850 2.087 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.648 -10.272 1.743 1.00 25.97 N ATOM 0 H LYS A 63 13.707 -4.622 2.020 1.00 11.73 H new ATOM 0 HA LYS A 63 11.345 -5.780 1.220 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.624 -7.950 1.098 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.298 -6.626 0.169 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.113 -6.281 1.835 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.370 -7.403 2.957 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.554 -9.156 1.084 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.597 -8.013 0.260 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.386 -8.285 1.846 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.307 -8.726 3.155 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.451 -10.667 2.272 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.781 -10.791 1.991 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.827 -10.364 0.723 1.00 25.97 H new ATOM 1020 N GLU A 64 10.550 -7.391 2.961 1.00 10.04 N ATOM 1021 CA GLU A 64 9.773 -8.121 3.962 1.00 10.94 C ATOM 1022 C GLU A 64 9.284 -7.230 5.073 1.00 9.74 C ATOM 1023 O GLU A 64 9.385 -7.556 6.246 1.00 9.42 O ATOM 1024 CB GLU A 64 10.422 -9.437 4.495 1.00 18.31 C ATOM 1025 CG GLU A 64 10.477 -10.495 3.417 1.00 24.16 C ATOM 1026 CD GLU A 64 11.230 -11.775 3.853 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.991 -12.322 4.930 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.146 -12.090 3.061 1.00 31.72 O ATOM 0 H GLU A 64 10.162 -7.476 2.022 1.00 10.04 H new ATOM 0 HA GLU A 64 8.901 -8.469 3.409 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.429 -9.229 4.855 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.850 -9.809 5.345 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.461 -10.761 3.127 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.962 -10.079 2.534 1.00 24.16 H new ATOM 1035 N SER A 65 8.762 -6.030 4.700 1.00 6.85 N ATOM 1036 CA SER A 65 8.188 -5.071 5.680 1.00 6.90 C ATOM 1037 C SER A 65 6.649 -5.213 5.763 1.00 4.72 C ATOM 1038 O SER A 65 6.075 -5.784 4.847 1.00 3.91 O ATOM 1039 CB SER A 65 8.515 -3.564 5.300 1.00 7.28 C ATOM 1040 OG SER A 65 8.307 -2.635 6.327 1.00 10.56 O ATOM 0 H SER A 65 8.728 -5.706 3.733 1.00 6.85 H new ATOM 0 HA SER A 65 8.645 -5.312 6.640 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.556 -3.503 4.981 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.902 -3.280 4.444 1.00 7.28 H new ATOM 0 HG SER A 65 8.534 -1.737 6.007 1.00 10.56 H new ATOM 1046 N THR A 66 6.028 -4.567 6.695 1.00 4.48 N ATOM 1047 CA THR A 66 4.590 -4.772 7.002 1.00 3.80 C ATOM 1048 C THR A 66 3.882 -3.531 6.661 1.00 4.60 C ATOM 1049 O THR A 66 4.169 -2.564 7.363 1.00 5.33 O ATOM 1050 CB THR A 66 4.233 -5.115 8.443 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.910 -6.278 8.818 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.735 -5.452 8.571 1.00 3.40 C ATOM 0 H THR A 66 6.479 -3.870 7.287 1.00 4.48 H new ATOM 0 HA THR A 66 4.299 -5.645 6.418 1.00 3.80 H new ATOM 0 HB THR A 66 4.496 -4.256 9.061 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.685 -6.503 9.745 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.504 -5.694 9.608 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.141 -4.594 8.257 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.499 -6.307 7.938 1.00 3.40 H new ATOM 1060 N LEU A 67 2.925 -3.533 5.702 1.00 4.17 N ATOM 1061 CA LEU A 67 2.098 -2.363 5.415 1.00 3.85 C ATOM 1062 C LEU A 67 0.715 -2.591 5.858 1.00 3.80 C ATOM 1063 O LEU A 67 0.119 -3.646 5.723 1.00 5.54 O ATOM 1064 CB LEU A 67 1.988 -2.059 3.892 1.00 7.18 C ATOM 1065 CG LEU A 67 3.241 -1.869 3.078 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.729 -1.424 1.745 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.126 -0.856 3.726 1.00 11.66 C ATOM 0 H LEU A 67 2.715 -4.342 5.118 1.00 4.17 H new ATOM 0 HA LEU A 67 2.582 -1.537 5.937 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.424 -2.873 3.437 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.388 -1.156 3.782 1.00 7.18 H new ATOM 0 HG LEU A 67 3.855 -2.766 2.990 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.569 -1.256 1.070 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.078 -2.193 1.330 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.167 -0.498 1.862 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.029 -0.727 3.129 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.599 0.095 3.797 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.397 -1.196 4.725 1.00 11.66 H new ATOM 1079 N HIS A 68 0.073 -1.599 6.402 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.370 -1.652 6.725 1.00 4.17 C ATOM 1081 C HIS A 68 -2.223 -1.005 5.691 1.00 5.32 C ATOM 1082 O HIS A 68 -1.896 -0.081 4.953 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.684 -0.979 8.055 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.449 -1.778 9.316 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.195 -2.323 9.586 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.234 -2.075 10.372 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.307 -2.973 10.741 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.502 -2.890 11.234 1.00 16.30 N ATOM 0 H HIS A 68 0.516 -0.713 6.646 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.599 -2.717 6.772 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.089 -0.068 8.119 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.731 -0.676 8.039 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.250 -1.741 10.523 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.504 -3.508 11.213 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.841 -3.335 12.087 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.411 -1.559 5.496 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.370 -1.119 4.502 1.00 3.97 C ATOM 1098 C LEU A 69 -5.583 -0.479 5.263 1.00 5.07 C ATOM 1099 O LEU A 69 -6.246 -1.087 6.038 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.812 -2.262 3.630 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.038 -1.941 2.709 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.634 -0.911 1.653 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.403 -3.211 1.938 1.00 9.96 C ATOM 0 H LEU A 69 -3.741 -2.353 6.045 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.915 -0.384 3.839 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.974 -2.570 3.004 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.064 -3.111 4.266 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.859 -1.574 3.325 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.489 -0.690 1.014 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.303 0.004 2.145 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.822 -1.311 1.046 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.256 -3.010 1.289 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.553 -3.526 1.333 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.661 -4.002 2.642 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.941 0.796 4.893 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.987 1.475 5.541 1.00 6.26 C ATOM 1117 C VAL A 70 -8.079 1.724 4.431 1.00 9.22 C ATOM 1118 O VAL A 70 -7.836 2.228 3.366 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.695 2.776 6.292 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.964 3.364 6.990 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.567 2.621 7.313 1.00 8.54 C ATOM 0 H VAL A 70 -5.489 1.324 4.147 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.285 0.831 6.368 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.370 3.482 5.527 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.700 4.286 7.508 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.727 3.574 6.241 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.351 2.642 7.709 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.400 3.572 7.818 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.842 1.864 8.047 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.654 2.316 6.803 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.316 1.281 4.675 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.382 1.354 3.657 1.00 16.06 C ATOM 1133 C LEU A 71 -11.402 2.407 4.041 1.00 18.09 C ATOM 1134 O LEU A 71 -11.969 2.456 5.124 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.038 0.050 3.500 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.073 -1.036 3.077 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.810 -2.386 2.967 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.399 -0.726 1.695 1.00 19.57 C ATOM 0 H LEU A 71 -9.608 0.870 5.561 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.929 1.631 2.705 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.508 -0.233 4.442 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.833 0.134 2.759 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.296 -1.081 3.840 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.107 -3.161 2.662 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.239 -2.646 3.935 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.606 -2.307 2.227 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.715 -1.534 1.434 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.167 -0.639 0.927 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.845 0.210 1.762 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.692 3.316 3.039 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.609 4.388 3.201 1.00 25.83 C ATOM 1152 C ARG A 72 -13.026 4.916 1.863 1.00 27.74 C ATOM 1153 O ARG A 72 -12.389 4.676 0.870 1.00 30.65 O ATOM 1154 CB ARG A 72 -12.163 5.539 4.113 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.096 6.486 3.484 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.731 5.903 3.054 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.070 6.893 2.159 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.191 6.941 0.837 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.045 6.226 0.141 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -8.329 7.775 0.260 1.00 35.02 N ATOM 0 H ARG A 72 -11.266 3.279 2.113 1.00 21.47 H new ATOM 0 HA ARG A 72 -13.452 3.943 3.730 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -13.038 6.129 4.387 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.760 5.120 5.035 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.546 6.950 2.606 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.901 7.283 4.201 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.109 5.704 3.927 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.868 4.953 2.537 1.00 34.05 H new ATOM 0 HE ARG A 72 -8.474 7.594 2.599 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.674 5.579 0.616 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.079 6.318 -0.874 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -7.665 8.298 0.831 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.332 7.891 -0.753 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.027 5.740 1.865 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.341 6.540 0.711 1.00 30.76 C ATOM 1176 C LEU A 73 -13.273 7.614 0.233 1.00 32.18 C ATOM 1177 O LEU A 73 -12.699 8.312 1.028 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.776 7.160 0.841 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.932 6.143 1.062 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -18.201 6.990 1.242 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.099 5.131 -0.125 1.00 29.11 C ATOM 0 H LEU A 73 -14.650 5.881 2.660 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.307 5.819 -0.106 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.773 7.865 1.672 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.988 7.732 -0.062 1.00 30.53 H new ATOM 0 HG LEU A 73 -16.721 5.520 1.931 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -19.057 6.334 1.402 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -18.081 7.647 2.103 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.367 7.591 0.348 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.921 4.449 0.091 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.313 5.679 -1.043 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.178 4.561 -0.249 1.00 29.11 H new ATOM 1193 N ARG A 74 -13.092 7.672 -1.098 1.00 33.82 N ATOM 1194 CA ARG A 74 -12.216 8.529 -1.896 1.00 35.33 C ATOM 1195 C ARG A 74 -11.913 9.914 -1.283 1.00 36.22 C ATOM 1196 O ARG A 74 -12.791 10.581 -0.760 1.00 36.70 O ATOM 1197 CB ARG A 74 -12.960 8.740 -3.245 1.00 36.91 C ATOM 1198 CG ARG A 74 -11.997 9.137 -4.334 1.00 38.62 C ATOM 1199 CD ARG A 74 -12.726 9.238 -5.737 1.00 39.75 C ATOM 1200 NE ARG A 74 -11.708 9.010 -6.849 1.00 41.13 N ATOM 1201 CZ ARG A 74 -10.934 9.993 -7.286 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -11.044 11.281 -6.872 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -10.137 9.765 -8.357 1.00 41.93 N ATOM 0 H ARG A 74 -13.620 7.044 -1.704 1.00 33.82 H new ATOM 0 HA ARG A 74 -11.246 8.038 -1.979 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -13.476 7.823 -3.527 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -13.721 9.511 -3.128 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -11.542 10.096 -4.088 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -11.190 8.407 -4.393 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -13.523 8.497 -5.800 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -13.191 10.217 -5.849 1.00 39.75 H new ATOM 0 HE ARG A 74 -11.621 8.083 -7.265 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -11.754 11.537 -6.186 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -10.417 11.993 -7.247 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -10.141 8.851 -8.810 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -9.533 10.507 -8.710 1.00 41.93 H new ATOM 1217 N GLY A 75 -10.656 10.386 -1.301 1.00 36.31 N ATOM 1218 CA GLY A 75 -10.326 11.722 -0.876 1.00 36.07 C ATOM 1219 C GLY A 75 -8.877 11.731 -0.365 1.00 36.16 C ATOM 1220 O GLY A 75 -7.975 12.366 -0.891 1.00 36.26 O ATOM 0 H GLY A 75 -9.853 9.839 -1.613 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -10.439 12.421 -1.705 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -11.006 12.047 -0.089 1.00 36.07 H new ATOM 1224 N GLY A 76 -8.627 11.080 0.793 1.00 36.05 N ATOM 1225 CA GLY A 76 -7.310 11.028 1.376 1.00 36.19 C ATOM 1226 C GLY A 76 -7.199 10.028 2.539 1.00 36.20 C ATOM 1227 O GLY A 76 -7.587 10.356 3.757 1.00 0.00 O ATOM 1228 OXT GLY A 76 -6.786 8.870 2.256 1.00 0.00 O ATOM 0 H GLY A 76 -9.340 10.586 1.329 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -6.589 10.759 0.604 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -7.039 12.022 1.733 1.00 36.19 H new TER 1232 GLY A 76