USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00689) USER MOD Single : A 1 MET N :NH3+ 178:sc= 1.96 (180deg=1.91) 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 68:sc= 1.21 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00251 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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 22 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 25 ASN : amide:sc= -0.232 K(o=-0.23,f=-2.7!) USER MOD Single : A 27 LYS NZ :NH3+ 153:sc= 1.16 (180deg=0.963) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= 1.72 (180deg=1.2) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 33 LYS NZ :NH3+ -106:sc= 0.0566 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.2 K(o=-0.2,f=-0.84) USER MOD Single : A 41 GLN : amide:sc= 0.361 K(o=0.36,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.286 K(o=-0.29,f=-0.83) USER MOD Single : A 55 THR OG1 : rot -47:sc= 1.01 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.294 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.76) 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 170:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.095) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.806 -7.631 -4.799 1.00 9.67 N ATOM 2 CA MET A 1 10.869 -7.942 -3.363 1.00 10.38 C ATOM 3 C MET A 1 9.465 -8.013 -2.815 1.00 9.62 C ATOM 4 O MET A 1 8.510 -7.446 -3.307 1.00 9.62 O ATOM 5 CB MET A 1 11.867 -6.934 -2.746 1.00 13.77 C ATOM 6 CG MET A 1 11.436 -5.506 -2.560 1.00 16.29 C ATOM 7 SD MET A 1 10.471 -5.114 -1.052 1.00 17.17 S ATOM 8 CE MET A 1 10.772 -3.335 -1.185 1.00 16.11 C ATOM 0 H1 MET A 1 11.771 -7.547 -5.179 1.00 9.67 H new ATOM 0 H2 MET A 1 10.303 -8.393 -5.297 1.00 9.67 H new ATOM 0 H3 MET A 1 10.300 -6.733 -4.938 1.00 9.67 H new ATOM 0 HA MET A 1 11.264 -8.925 -3.105 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.163 -7.319 -1.770 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.760 -6.930 -3.371 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.329 -4.880 -2.562 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.842 -5.217 -3.427 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.251 -2.817 -0.380 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.842 -3.140 -1.109 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.405 -2.975 -2.146 1.00 16.11 H new ATOM 20 N GLN A 2 9.269 -8.765 -1.695 1.00 9.27 N ATOM 21 CA GLN A 2 7.981 -8.944 -1.138 1.00 9.07 C ATOM 22 C GLN A 2 7.678 -7.996 0.019 1.00 8.72 C ATOM 23 O GLN A 2 8.559 -7.769 0.895 1.00 8.22 O ATOM 24 CB GLN A 2 7.730 -10.345 -0.521 1.00 14.46 C ATOM 25 CG GLN A 2 8.471 -11.387 -1.300 1.00 17.01 C ATOM 26 CD GLN A 2 8.293 -12.901 -0.990 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.014 -13.521 -0.252 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.307 -13.478 -1.759 1.00 19.49 N ATOM 0 H GLN A 2 10.017 -9.241 -1.190 1.00 9.27 H new ATOM 0 HA GLN A 2 7.352 -8.766 -2.010 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.055 -10.357 0.519 1.00 14.46 H new ATOM 0 HB3 GLN A 2 6.663 -10.567 -0.524 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.213 -11.244 -2.349 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.533 -11.164 -1.200 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.728 -12.897 -2.366 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.156 -14.486 -1.722 1.00 19.49 H new ATOM 37 N ILE A 3 6.424 -7.436 0.048 1.00 5.87 N ATOM 38 CA ILE A 3 5.993 -6.673 1.244 1.00 5.07 C ATOM 39 C ILE A 3 4.600 -7.182 1.560 1.00 4.01 C ATOM 40 O ILE A 3 3.746 -7.398 0.722 1.00 4.61 O ATOM 41 CB ILE A 3 6.050 -5.149 1.174 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.136 -4.586 0.171 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.493 -4.751 0.844 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.013 -3.024 0.186 1.00 10.83 C ATOM 0 H ILE A 3 5.737 -7.498 -0.703 1.00 5.87 H new ATOM 0 HA ILE A 3 6.719 -6.855 2.036 1.00 5.07 H new ATOM 0 HB ILE A 3 5.732 -4.748 2.136 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.470 -4.899 -0.818 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.145 -5.014 0.324 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.567 -3.665 0.787 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.159 -5.120 1.624 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.780 -5.185 -0.114 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.316 -2.706 -0.590 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.646 -2.697 1.159 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.991 -2.580 -0.001 1.00 10.83 H new ATOM 56 N PHE A 4 4.372 -7.367 2.842 1.00 4.55 N ATOM 57 CA PHE A 4 3.155 -7.931 3.392 1.00 4.68 C ATOM 58 C PHE A 4 2.213 -6.851 3.780 1.00 5.30 C ATOM 59 O PHE A 4 2.487 -6.062 4.673 1.00 5.58 O ATOM 60 CB PHE A 4 3.501 -8.828 4.653 1.00 4.83 C ATOM 61 CG PHE A 4 4.600 -9.821 4.445 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.404 -10.920 3.605 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.844 -9.516 5.043 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.583 -11.736 3.288 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.933 -10.296 4.784 1.00 10.61 C ATOM 66 CZ PHE A 4 6.836 -11.410 3.943 1.00 8.90 C ATOM 0 H PHE A 4 5.054 -7.120 3.559 1.00 4.55 H new ATOM 0 HA PHE A 4 2.679 -8.550 2.631 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.776 -8.174 5.480 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.601 -9.364 4.956 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.429 -11.159 3.207 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.932 -8.667 5.704 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.519 -12.555 2.587 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.883 -10.050 5.234 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.703 -12.034 3.780 1.00 8.90 H new ATOM 76 N VAL A 5 0.994 -6.916 3.292 1.00 4.44 N ATOM 77 CA VAL A 5 0.000 -5.851 3.451 1.00 3.87 C ATOM 78 C VAL A 5 -1.100 -6.445 4.319 1.00 4.93 C ATOM 79 O VAL A 5 -1.766 -7.377 3.974 1.00 6.84 O ATOM 80 CB VAL A 5 -0.656 -5.458 2.141 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.434 -4.183 2.360 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.469 -5.275 1.089 1.00 9.13 C ATOM 0 H VAL A 5 0.650 -7.718 2.764 1.00 4.44 H new ATOM 0 HA VAL A 5 0.490 -4.969 3.864 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.350 -6.218 1.784 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.913 -3.885 1.428 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.195 -4.348 3.123 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.756 -3.395 2.688 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.030 -4.991 0.132 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.153 -4.494 1.420 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.015 -6.211 0.974 1.00 9.13 H new ATOM 92 N LYS A 6 -1.282 -5.930 5.539 1.00 6.04 N ATOM 93 CA LYS A 6 -2.342 -6.390 6.424 1.00 6.12 C ATOM 94 C LYS A 6 -3.510 -5.440 6.422 1.00 6.57 C ATOM 95 O LYS A 6 -3.400 -4.294 6.021 1.00 5.76 O ATOM 96 CB LYS A 6 -1.735 -6.515 7.869 1.00 7.45 C ATOM 97 CG LYS A 6 -0.657 -7.689 7.934 1.00 11.12 C ATOM 98 CD LYS A 6 0.115 -7.648 9.250 1.00 14.54 C ATOM 99 CE LYS A 6 -0.748 -8.031 10.457 1.00 18.84 C ATOM 100 NZ LYS A 6 0.057 -8.326 11.663 1.00 20.55 N ATOM 0 H LYS A 6 -0.701 -5.190 5.933 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.718 -7.354 6.080 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.269 -5.572 8.155 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.532 -6.708 8.587 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.156 -8.652 7.831 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.037 -7.598 7.098 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.966 -8.326 9.188 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.516 -6.646 9.399 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.440 -7.218 10.677 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.351 -8.903 10.205 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.575 -8.579 12.449 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.699 -9.120 11.466 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.613 -7.487 11.923 1.00 20.55 H new ATOM 114 N THR A 7 -4.702 -5.927 6.810 1.00 7.41 N ATOM 115 CA THR A 7 -5.917 -5.080 6.761 1.00 7.48 C ATOM 116 C THR A 7 -6.913 -5.713 7.625 1.00 8.75 C ATOM 117 O THR A 7 -6.821 -6.922 7.899 1.00 8.58 O ATOM 118 CB THR A 7 -6.408 -4.928 5.383 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.376 -3.895 5.259 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.939 -6.205 4.716 1.00 9.17 C ATOM 0 H THR A 7 -4.854 -6.876 7.153 1.00 7.41 H new ATOM 0 HA THR A 7 -5.699 -4.071 7.112 1.00 7.48 H new ATOM 0 HB THR A 7 -5.503 -4.656 4.841 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.948 -3.026 5.405 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.274 -5.975 3.704 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.145 -6.951 4.675 1.00 9.17 H new ATOM 0 HG23 THR A 7 -7.775 -6.597 5.295 1.00 9.17 H new ATOM 128 N LEU A 8 -7.937 -4.908 8.162 1.00 9.84 N ATOM 129 CA LEU A 8 -8.823 -5.383 9.161 1.00 14.15 C ATOM 130 C LEU A 8 -9.680 -6.502 8.589 1.00 17.37 C ATOM 131 O LEU A 8 -9.796 -7.539 9.236 1.00 17.01 O ATOM 132 CB LEU A 8 -9.839 -4.297 9.813 1.00 16.63 C ATOM 133 CG LEU A 8 -9.214 -3.210 10.764 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.293 -2.093 10.956 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.941 -3.842 12.131 1.00 18.59 C ATOM 0 H LEU A 8 -8.109 -3.945 7.875 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.157 -5.700 9.963 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.350 -3.781 9.000 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.600 -4.840 10.374 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.289 -2.813 10.345 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.900 -1.316 11.611 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.543 -1.659 9.988 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.189 -2.525 11.402 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.508 -3.096 12.797 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.876 -4.208 12.556 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.245 -4.673 12.015 1.00 18.59 H new ATOM 147 N THR A 9 -10.227 -6.350 7.306 1.00 18.33 N ATOM 148 CA THR A 9 -11.348 -7.200 6.910 1.00 19.24 C ATOM 149 C THR A 9 -11.023 -8.557 6.302 1.00 19.48 C ATOM 150 O THR A 9 -11.456 -8.853 5.210 1.00 23.14 O ATOM 151 CB THR A 9 -12.318 -6.448 6.007 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.644 -5.780 5.006 1.00 20.24 O ATOM 153 CG2 THR A 9 -13.144 -5.428 6.813 1.00 19.70 C ATOM 0 H THR A 9 -9.907 -5.683 6.603 1.00 18.33 H new ATOM 0 HA THR A 9 -11.805 -7.444 7.869 1.00 19.24 H new ATOM 0 HB THR A 9 -12.985 -7.188 5.565 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.287 -5.306 4.438 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.828 -4.905 6.145 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.715 -5.948 7.582 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.474 -4.708 7.283 1.00 19.70 H new ATOM 161 N GLY A 10 -10.218 -9.392 7.054 1.00 19.43 N ATOM 162 CA GLY A 10 -9.939 -10.784 6.726 1.00 18.74 C ATOM 163 C GLY A 10 -8.980 -11.003 5.552 1.00 17.62 C ATOM 164 O GLY A 10 -9.263 -11.770 4.657 1.00 19.74 O ATOM 0 H GLY A 10 -9.755 -9.083 7.908 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -9.524 -11.271 7.608 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -10.882 -11.283 6.501 1.00 18.74 H new ATOM 168 N LYS A 11 -7.740 -10.433 5.603 1.00 13.56 N ATOM 169 CA LYS A 11 -6.805 -10.492 4.497 1.00 11.91 C ATOM 170 C LYS A 11 -5.425 -10.135 4.947 1.00 10.18 C ATOM 171 O LYS A 11 -5.226 -9.242 5.751 1.00 9.10 O ATOM 172 CB LYS A 11 -7.194 -9.555 3.318 1.00 13.43 C ATOM 173 CG LYS A 11 -6.365 -9.725 1.962 1.00 16.69 C ATOM 174 CD LYS A 11 -6.685 -11.132 1.369 1.00 17.92 C ATOM 175 CE LYS A 11 -5.561 -11.636 0.454 1.00 20.81 C ATOM 176 NZ LYS A 11 -5.957 -13.013 -0.023 1.00 21.93 N ATOM 0 H LYS A 11 -7.387 -9.929 6.417 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.838 -11.521 4.140 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.249 -9.711 3.093 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.089 -8.524 3.654 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.633 -8.943 1.252 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.297 -9.628 2.155 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.838 -11.842 2.182 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.618 -11.086 0.807 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.421 -10.962 -0.391 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -4.614 -11.673 0.992 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -5.217 -13.390 -0.649 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.073 -13.644 0.796 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.855 -12.955 -0.545 1.00 21.93 H new ATOM 190 N THR A 12 -4.446 -10.744 4.321 1.00 9.63 N ATOM 191 CA THR A 12 -3.046 -10.294 4.334 1.00 9.85 C ATOM 192 C THR A 12 -2.575 -10.671 2.980 1.00 11.66 C ATOM 193 O THR A 12 -2.712 -11.835 2.535 1.00 12.33 O ATOM 194 CB THR A 12 -2.060 -10.942 5.326 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.620 -10.762 6.650 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.617 -10.306 5.231 1.00 9.63 C ATOM 0 H THR A 12 -4.590 -11.590 3.770 1.00 9.63 H new ATOM 0 HA THR A 12 -3.052 -9.246 4.632 1.00 9.85 H new ATOM 0 HB THR A 12 -1.934 -11.999 5.091 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.022 -11.163 7.315 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.043 -10.794 5.948 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.224 -10.444 4.224 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.673 -9.241 5.456 1.00 9.63 H new ATOM 204 N ILE A 13 -2.092 -9.665 2.232 1.00 10.42 N ATOM 205 CA ILE A 13 -1.639 -9.728 0.874 1.00 11.84 C ATOM 206 C ILE A 13 -0.119 -9.805 0.900 1.00 10.55 C ATOM 207 O ILE A 13 0.541 -9.058 1.617 1.00 11.92 O ATOM 208 CB ILE A 13 -2.084 -8.450 0.057 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.375 -7.793 0.599 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.073 -8.936 -1.434 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.928 -6.668 -0.287 1.00 16.46 C ATOM 0 H ILE A 13 -2.011 -8.722 2.612 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.075 -10.600 0.387 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.413 -7.597 0.160 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.140 -8.561 0.712 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.176 -7.393 1.593 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.370 -8.115 -2.087 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.070 -9.267 -1.701 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.772 -9.764 -1.552 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.833 -6.261 0.164 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.182 -5.878 -0.380 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.162 -7.065 -1.275 1.00 16.46 H new ATOM 223 N THR A 14 0.378 -10.615 0.017 1.00 9.39 N ATOM 224 CA THR A 14 1.827 -10.674 -0.180 1.00 9.63 C ATOM 225 C THR A 14 2.034 -10.159 -1.539 1.00 11.20 C ATOM 226 O THR A 14 1.511 -10.745 -2.511 1.00 11.63 O ATOM 227 CB THR A 14 2.540 -11.997 -0.079 1.00 10.38 C ATOM 228 OG1 THR A 14 2.222 -12.512 1.187 1.00 16.30 O ATOM 229 CG2 THR A 14 4.073 -11.687 -0.025 1.00 11.66 C ATOM 0 H THR A 14 -0.169 -11.239 -0.576 1.00 9.39 H new ATOM 0 HA THR A 14 2.258 -10.115 0.651 1.00 9.63 H new ATOM 0 HB THR A 14 2.276 -12.666 -0.899 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.662 -13.380 1.307 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.631 -12.621 0.049 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.369 -11.158 -0.931 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.288 -11.066 0.845 1.00 11.66 H new ATOM 237 N LEU A 15 2.688 -9.009 -1.634 1.00 8.29 N ATOM 238 CA LEU A 15 2.889 -8.361 -2.915 1.00 9.03 C ATOM 239 C LEU A 15 4.296 -8.584 -3.532 1.00 8.59 C ATOM 240 O LEU A 15 5.169 -9.242 -2.896 1.00 7.79 O ATOM 241 CB LEU A 15 2.786 -6.824 -2.895 1.00 11.08 C ATOM 242 CG LEU A 15 1.454 -6.254 -2.376 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.623 -4.681 -2.521 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.208 -6.763 -3.181 1.00 15.27 C ATOM 0 H LEU A 15 3.086 -8.510 -0.839 1.00 8.29 H new ATOM 0 HA LEU A 15 2.086 -8.827 -3.487 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.594 -6.432 -2.277 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.950 -6.453 -3.907 1.00 11.08 H new ATOM 0 HG LEU A 15 1.261 -6.575 -1.352 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.717 -4.184 -2.173 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.471 -4.349 -1.922 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.797 -4.429 -3.567 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.698 -6.324 -2.764 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.306 -6.470 -4.226 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.150 -7.849 -3.113 1.00 15.27 H new ATOM 256 N GLU A 16 4.487 -8.090 -4.697 1.00 11.04 N ATOM 257 CA GLU A 16 5.770 -8.092 -5.348 1.00 11.50 C ATOM 258 C GLU A 16 6.035 -6.738 -5.982 1.00 10.13 C ATOM 259 O GLU A 16 5.269 -6.178 -6.789 1.00 9.83 O ATOM 260 CB GLU A 16 5.808 -9.177 -6.411 1.00 17.22 C ATOM 261 CG GLU A 16 7.145 -9.565 -7.051 1.00 23.33 C ATOM 262 CD GLU A 16 8.278 -9.963 -6.144 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.162 -10.934 -5.319 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.370 -9.339 -6.160 1.00 28.90 O ATOM 0 H GLU A 16 3.746 -7.659 -5.250 1.00 11.04 H new ATOM 0 HA GLU A 16 6.543 -8.292 -4.606 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.383 -10.079 -5.971 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.139 -8.869 -7.215 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.959 -10.393 -7.735 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.482 -8.723 -7.655 1.00 23.33 H new ATOM 271 N VAL A 17 7.147 -6.116 -5.543 1.00 8.99 N ATOM 272 CA VAL A 17 7.373 -4.709 -5.585 1.00 8.85 C ATOM 273 C VAL A 17 8.828 -4.332 -5.865 1.00 8.04 C ATOM 274 O VAL A 17 9.762 -5.150 -5.809 1.00 8.99 O ATOM 275 CB VAL A 17 6.928 -3.874 -4.307 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.466 -4.081 -4.008 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.745 -4.416 -3.088 1.00 10.54 C ATOM 0 H VAL A 17 7.930 -6.628 -5.137 1.00 8.99 H new ATOM 0 HA VAL A 17 6.719 -4.435 -6.413 1.00 8.85 H new ATOM 0 HB VAL A 17 7.105 -2.814 -4.490 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.188 -3.499 -3.129 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.871 -3.757 -4.861 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.280 -5.138 -3.816 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.466 -3.866 -2.189 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.528 -5.475 -2.947 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.811 -4.286 -3.277 1.00 10.54 H new ATOM 287 N GLU A 18 9.103 -3.069 -6.212 1.00 7.29 N ATOM 288 CA GLU A 18 10.406 -2.529 -6.337 1.00 7.08 C ATOM 289 C GLU A 18 10.462 -1.388 -5.475 1.00 6.45 C ATOM 290 O GLU A 18 9.437 -0.886 -5.087 1.00 5.28 O ATOM 291 CB GLU A 18 10.799 -2.059 -7.834 1.00 10.28 C ATOM 292 CG GLU A 18 10.568 -3.185 -8.857 1.00 12.65 C ATOM 293 CD GLU A 18 11.156 -2.871 -10.220 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.483 -2.064 -10.898 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.236 -3.328 -10.558 1.00 18.17 O ATOM 0 H GLU A 18 8.371 -2.389 -6.416 1.00 7.29 H new ATOM 0 HA GLU A 18 11.115 -3.314 -6.076 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.206 -1.187 -8.110 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.845 -1.753 -7.858 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.009 -4.108 -8.480 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.497 -3.362 -8.960 1.00 12.65 H new ATOM 302 N PRO A 19 11.659 -0.922 -5.059 1.00 7.24 N ATOM 303 CA PRO A 19 11.791 0.340 -4.363 1.00 7.07 C ATOM 304 C PRO A 19 11.288 1.537 -5.053 1.00 6.65 C ATOM 305 O PRO A 19 10.743 2.431 -4.412 1.00 6.37 O ATOM 306 CB PRO A 19 13.262 0.441 -3.932 1.00 7.61 C ATOM 307 CG PRO A 19 13.602 -1.076 -3.722 1.00 8.16 C ATOM 308 CD PRO A 19 12.835 -1.796 -4.811 1.00 7.49 C ATOM 0 HA PRO A 19 11.119 0.330 -3.505 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.887 0.904 -4.695 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.388 1.024 -3.020 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.674 -1.257 -3.806 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.298 -1.417 -2.732 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.438 -1.918 -5.710 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.531 -2.793 -4.493 1.00 7.49 H new ATOM 316 N SER A 20 11.409 1.582 -6.360 1.00 6.80 N ATOM 317 CA SER A 20 11.017 2.739 -7.182 1.00 6.28 C ATOM 318 C SER A 20 9.548 2.690 -7.624 1.00 8.45 C ATOM 319 O SER A 20 9.066 3.653 -8.244 1.00 7.26 O ATOM 320 CB SER A 20 11.731 2.792 -8.499 1.00 8.57 C ATOM 321 OG SER A 20 13.013 3.224 -8.329 1.00 11.13 O ATOM 0 H SER A 20 11.788 0.809 -6.906 1.00 6.80 H new ATOM 0 HA SER A 20 11.248 3.580 -6.528 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.732 1.804 -8.959 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.203 3.460 -9.179 1.00 8.57 H new ATOM 0 HG SER A 20 13.467 3.252 -9.197 1.00 11.13 H new ATOM 327 N ASP A 21 8.717 1.745 -7.204 1.00 7.50 N ATOM 328 CA ASP A 21 7.282 1.768 -7.418 1.00 7.70 C ATOM 329 C ASP A 21 6.579 2.829 -6.582 1.00 7.08 C ATOM 330 O ASP A 21 6.670 2.849 -5.396 1.00 8.11 O ATOM 331 CB ASP A 21 6.661 0.408 -7.119 1.00 11.00 C ATOM 332 CG ASP A 21 7.017 -0.735 -8.060 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.528 -0.443 -9.167 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.795 -1.884 -7.618 1.00 14.36 O ATOM 0 H ASP A 21 9.034 0.922 -6.692 1.00 7.50 H new ATOM 0 HA ASP A 21 7.141 2.017 -8.470 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.950 0.118 -6.109 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.577 0.523 -7.120 1.00 11.00 H new ATOM 339 N THR A 22 5.795 3.715 -7.264 1.00 5.37 N ATOM 340 CA THR A 22 4.944 4.735 -6.642 1.00 6.01 C ATOM 341 C THR A 22 3.839 4.079 -5.853 1.00 8.01 C ATOM 342 O THR A 22 3.386 2.976 -6.075 1.00 8.11 O ATOM 343 CB THR A 22 4.443 5.791 -7.542 1.00 8.92 C ATOM 344 OG1 THR A 22 3.524 5.219 -8.422 1.00 10.22 O ATOM 345 CG2 THR A 22 5.541 6.456 -8.333 1.00 9.65 C ATOM 0 H THR A 22 5.747 3.727 -8.283 1.00 5.37 H new ATOM 0 HA THR A 22 5.597 5.285 -5.964 1.00 6.01 H new ATOM 0 HB THR A 22 3.982 6.564 -6.927 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.179 5.908 -9.028 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.112 7.224 -8.977 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.256 6.914 -7.649 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.050 5.712 -8.945 1.00 9.65 H new ATOM 353 N ILE A 23 3.362 4.763 -4.840 1.00 8.32 N ATOM 354 CA ILE A 23 2.268 4.396 -3.918 1.00 9.92 C ATOM 355 C ILE A 23 1.006 4.222 -4.719 1.00 10.01 C ATOM 356 O ILE A 23 0.242 3.308 -4.514 1.00 8.71 O ATOM 357 CB ILE A 23 2.286 5.186 -2.640 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.683 5.244 -1.962 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.200 4.660 -1.754 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.258 3.927 -1.399 1.00 12.30 C ATOM 0 H ILE A 23 3.752 5.675 -4.603 1.00 8.32 H new ATOM 0 HA ILE A 23 2.396 3.414 -3.462 1.00 9.92 H new ATOM 0 HB ILE A 23 2.084 6.234 -2.862 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.393 5.637 -2.689 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.631 5.964 -1.146 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.192 5.218 -0.818 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.237 4.773 -2.252 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.379 3.605 -1.546 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.236 4.117 -0.956 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.585 3.532 -0.638 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.360 3.200 -2.205 1.00 12.30 H new ATOM 372 N GLU A 24 0.837 5.009 -5.756 1.00 9.54 N ATOM 373 CA GLU A 24 -0.189 4.897 -6.758 1.00 11.81 C ATOM 374 C GLU A 24 -0.105 3.557 -7.507 1.00 11.14 C ATOM 375 O GLU A 24 -1.104 2.870 -7.772 1.00 10.62 O ATOM 376 CB GLU A 24 -0.133 6.004 -7.797 1.00 19.24 C ATOM 377 CG GLU A 24 -1.281 5.988 -8.878 1.00 27.76 C ATOM 378 CD GLU A 24 -1.182 7.219 -9.803 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.088 7.345 -10.357 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.146 8.022 -10.024 1.00 36.51 O ATOM 0 H GLU A 24 1.458 5.799 -5.931 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.126 4.973 -6.206 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.159 6.963 -7.280 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.826 5.945 -8.312 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.215 5.076 -9.471 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.252 5.977 -8.383 1.00 27.76 H new ATOM 387 N ASN A 25 1.121 3.121 -7.811 1.00 9.43 N ATOM 388 CA ASN A 25 1.429 1.812 -8.286 1.00 10.96 C ATOM 389 C ASN A 25 1.149 0.683 -7.320 1.00 9.68 C ATOM 390 O ASN A 25 0.651 -0.377 -7.737 1.00 9.33 O ATOM 391 CB ASN A 25 2.893 1.730 -8.888 1.00 16.78 C ATOM 392 CG ASN A 25 3.011 0.708 -10.002 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.114 -0.505 -9.697 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.958 1.098 -11.296 1.00 24.70 N ATOM 0 H ASN A 25 1.946 3.713 -7.721 1.00 9.43 H new ATOM 0 HA ASN A 25 0.716 1.649 -9.094 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.181 2.710 -9.268 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.595 1.478 -8.093 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.002 0.402 -12.041 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.874 2.088 -11.527 1.00 24.70 H new ATOM 401 N VAL A 26 1.450 0.795 -6.011 1.00 6.52 N ATOM 402 CA VAL A 26 1.149 -0.225 -5.019 1.00 5.53 C ATOM 403 C VAL A 26 -0.365 -0.435 -4.912 1.00 4.42 C ATOM 404 O VAL A 26 -0.786 -1.589 -4.870 1.00 3.40 O ATOM 405 CB VAL A 26 1.751 0.141 -3.665 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.591 -0.894 -2.491 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.256 0.440 -3.817 1.00 8.12 C ATOM 0 H VAL A 26 1.916 1.614 -5.620 1.00 6.52 H new ATOM 0 HA VAL A 26 1.600 -1.164 -5.340 1.00 5.53 H new ATOM 0 HB VAL A 26 1.160 1.008 -3.370 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.066 -0.501 -1.592 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.532 -1.063 -2.297 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.064 -1.836 -2.769 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.675 0.700 -2.845 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.764 -0.442 -4.208 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.394 1.273 -4.506 1.00 8.12 H new ATOM 417 N LYS A 27 -1.227 0.636 -4.953 1.00 2.64 N ATOM 418 CA LYS A 27 -2.636 0.479 -4.887 1.00 4.14 C ATOM 419 C LYS A 27 -3.187 -0.358 -6.099 1.00 5.58 C ATOM 420 O LYS A 27 -4.162 -1.068 -5.995 1.00 4.11 O ATOM 421 CB LYS A 27 -3.328 1.845 -4.837 1.00 3.97 C ATOM 422 CG LYS A 27 -2.866 2.605 -3.608 1.00 7.45 C ATOM 423 CD LYS A 27 -3.493 4.001 -3.487 1.00 9.02 C ATOM 424 CE LYS A 27 -3.101 4.817 -2.210 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.527 6.150 -2.308 1.00 15.47 N ATOM 0 H LYS A 27 -0.919 1.605 -5.033 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.859 -0.069 -3.972 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.097 2.414 -5.737 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.410 1.715 -4.811 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.111 2.026 -2.718 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.781 2.703 -3.636 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.213 4.582 -4.366 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.578 3.894 -3.508 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.546 4.354 -1.329 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.020 4.787 -2.074 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.682 6.536 -1.355 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -2.800 6.712 -2.795 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.415 6.192 -2.847 1.00 15.47 H new ATOM 439 N ALA A 28 -2.613 -0.290 -7.281 1.00 6.61 N ATOM 440 CA ALA A 28 -2.924 -1.088 -8.442 1.00 7.74 C ATOM 441 C ALA A 28 -2.536 -2.510 -8.360 1.00 9.17 C ATOM 442 O ALA A 28 -3.384 -3.315 -8.735 1.00 11.45 O ATOM 443 CB ALA A 28 -2.111 -0.530 -9.628 1.00 7.68 C ATOM 0 H ALA A 28 -1.862 0.374 -7.466 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.008 -1.036 -8.540 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.325 -1.114 -10.523 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.386 0.511 -9.800 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.047 -0.592 -9.401 1.00 7.68 H new ATOM 449 N LYS A 29 -1.396 -2.872 -7.787 1.00 8.96 N ATOM 450 CA LYS A 29 -1.035 -4.198 -7.430 1.00 7.90 C ATOM 451 C LYS A 29 -1.994 -4.874 -6.517 1.00 6.92 C ATOM 452 O LYS A 29 -2.458 -5.979 -6.838 1.00 6.87 O ATOM 453 CB LYS A 29 0.279 -4.241 -6.784 1.00 10.28 C ATOM 454 CG LYS A 29 1.438 -3.734 -7.583 1.00 14.94 C ATOM 455 CD LYS A 29 2.622 -3.621 -6.656 1.00 19.69 C ATOM 456 CE LYS A 29 3.835 -2.903 -7.286 1.00 22.63 C ATOM 457 NZ LYS A 29 4.648 -3.832 -8.096 1.00 24.98 N ATOM 0 H LYS A 29 -0.671 -2.194 -7.554 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.032 -4.730 -8.381 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.223 -3.664 -5.861 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.486 -5.273 -6.502 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.661 -4.413 -8.406 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.204 -2.765 -8.023 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.319 -3.084 -5.757 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.924 -4.620 -6.343 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.489 -2.080 -7.911 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.452 -2.468 -6.499 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.597 -3.431 -8.237 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.728 -4.744 -7.603 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.193 -3.977 -9.020 1.00 24.98 H new ATOM 471 N ILE A 30 -2.425 -4.094 -5.446 1.00 4.57 N ATOM 472 CA ILE A 30 -3.447 -4.467 -4.557 1.00 5.58 C ATOM 473 C ILE A 30 -4.784 -4.740 -5.270 1.00 7.26 C ATOM 474 O ILE A 30 -5.564 -5.645 -4.916 1.00 9.46 O ATOM 475 CB ILE A 30 -3.608 -3.588 -3.378 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.308 -3.636 -2.558 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.867 -3.923 -2.531 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.230 -2.690 -1.404 1.00 2.00 C ATOM 0 H ILE A 30 -2.020 -3.183 -5.232 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.100 -5.414 -4.142 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.783 -2.568 -3.719 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.176 -4.650 -2.181 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.472 -3.433 -3.227 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.926 -3.242 -1.682 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.760 -3.813 -3.147 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.800 -4.949 -2.169 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.272 -2.811 -0.899 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.323 -1.666 -1.766 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.038 -2.902 -0.704 1.00 2.00 H new ATOM 490 N GLN A 31 -5.108 -3.902 -6.291 1.00 7.06 N ATOM 491 CA GLN A 31 -6.243 -4.039 -7.174 1.00 8.67 C ATOM 492 C GLN A 31 -6.194 -5.328 -7.977 1.00 10.90 C ATOM 493 O GLN A 31 -7.209 -6.077 -8.087 1.00 9.63 O ATOM 494 CB GLN A 31 -6.497 -2.814 -8.104 1.00 9.12 C ATOM 495 CG GLN A 31 -7.833 -2.913 -8.929 1.00 10.76 C ATOM 496 CD GLN A 31 -8.156 -1.666 -9.700 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.232 -0.910 -10.095 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.435 -1.421 -9.960 1.00 14.76 N ATOM 0 H GLN A 31 -4.543 -3.082 -6.511 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.100 -4.081 -6.502 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.521 -1.908 -7.498 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.660 -2.714 -8.795 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.761 -3.751 -9.623 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.655 -3.133 -8.248 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.155 -2.059 -9.622 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.697 -0.595 -10.498 1.00 14.76 H new ATOM 507 N ASP A 32 -5.029 -5.669 -8.599 1.00 10.93 N ATOM 508 CA ASP A 32 -4.858 -6.988 -9.278 1.00 14.01 C ATOM 509 C ASP A 32 -5.059 -8.215 -8.367 1.00 14.04 C ATOM 510 O ASP A 32 -5.818 -9.136 -8.667 1.00 13.39 O ATOM 511 CB ASP A 32 -3.430 -7.053 -9.981 1.00 18.01 C ATOM 512 CG ASP A 32 -3.332 -8.094 -11.113 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.234 -8.135 -12.012 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.285 -8.800 -11.204 1.00 25.17 O ATOM 0 H ASP A 32 -4.210 -5.063 -8.645 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.656 -7.045 -10.018 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.191 -6.069 -10.385 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.676 -7.280 -9.227 1.00 18.01 H new ATOM 519 N LYS A 33 -4.458 -8.153 -7.130 1.00 14.22 N ATOM 520 CA LYS A 33 -4.500 -9.170 -6.134 1.00 14.00 C ATOM 521 C LYS A 33 -5.904 -9.473 -5.627 1.00 12.37 C ATOM 522 O LYS A 33 -6.239 -10.661 -5.526 1.00 12.17 O ATOM 523 CB LYS A 33 -3.641 -8.778 -4.954 1.00 18.62 C ATOM 524 CG LYS A 33 -2.077 -8.819 -5.299 1.00 24.00 C ATOM 525 CD LYS A 33 -1.489 -10.203 -5.310 1.00 27.61 C ATOM 526 CE LYS A 33 0.083 -10.234 -5.381 1.00 27.64 C ATOM 527 NZ LYS A 33 0.694 -11.564 -5.419 1.00 30.06 N ATOM 0 H LYS A 33 -3.920 -7.339 -6.833 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.123 -10.072 -6.616 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.912 -7.774 -4.628 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.844 -9.450 -4.120 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -1.919 -8.360 -6.275 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.539 -8.212 -4.571 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.812 -10.730 -4.412 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.891 -10.750 -6.163 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.398 -9.685 -6.268 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.477 -9.698 -4.517 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.126 -11.774 -4.497 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.035 -12.275 -5.629 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 1.425 -11.589 -6.158 1.00 30.06 H new ATOM 541 N GLU A 34 -6.698 -8.453 -5.317 1.00 10.11 N ATOM 542 CA GLU A 34 -7.956 -8.571 -4.619 1.00 10.07 C ATOM 543 C GLU A 34 -9.172 -7.820 -5.141 1.00 9.32 C ATOM 544 O GLU A 34 -10.268 -7.898 -4.558 1.00 11.61 O ATOM 545 CB GLU A 34 -7.759 -7.966 -3.151 1.00 14.77 C ATOM 546 CG GLU A 34 -6.831 -8.852 -2.339 1.00 18.75 C ATOM 547 CD GLU A 34 -7.460 -10.222 -2.236 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.655 -10.353 -1.809 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.778 -11.220 -2.598 1.00 21.95 O ATOM 0 H GLU A 34 -6.467 -7.489 -5.558 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.174 -9.634 -4.720 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.347 -6.959 -3.217 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.724 -7.883 -2.651 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.853 -8.917 -2.816 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.674 -8.430 -1.346 1.00 18.75 H new ATOM 556 N GLY A 35 -9.130 -7.073 -6.305 1.00 7.22 N ATOM 557 CA GLY A 35 -10.170 -6.274 -6.887 1.00 6.29 C ATOM 558 C GLY A 35 -10.599 -5.034 -6.130 1.00 6.93 C ATOM 559 O GLY A 35 -11.638 -4.486 -6.503 1.00 7.41 O ATOM 0 H GLY A 35 -8.281 -7.043 -6.870 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.843 -5.967 -7.880 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.047 -6.907 -7.022 1.00 6.29 H new ATOM 563 N ILE A 36 -9.876 -4.521 -5.217 1.00 5.86 N ATOM 564 CA ILE A 36 -10.283 -3.387 -4.396 1.00 6.07 C ATOM 565 C ILE A 36 -9.952 -2.140 -5.246 1.00 6.36 C ATOM 566 O ILE A 36 -8.785 -1.993 -5.655 1.00 6.18 O ATOM 567 CB ILE A 36 -9.507 -3.322 -3.054 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.811 -4.554 -2.196 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.775 -1.970 -2.392 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.815 -4.710 -1.109 1.00 9.49 C ATOM 0 H ILE A 36 -8.945 -4.870 -4.989 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.338 -3.463 -4.132 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.430 -3.369 -3.212 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.809 -4.465 -1.768 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.812 -5.446 -2.823 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.234 -1.914 -1.447 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.439 -1.169 -3.051 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.843 -1.862 -2.205 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.057 -5.593 -0.517 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.821 -4.824 -1.540 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.834 -3.828 -0.469 1.00 9.49 H new ATOM 582 N PRO A 37 -10.832 -1.234 -5.540 1.00 8.65 N ATOM 583 CA PRO A 37 -10.415 0.009 -6.209 1.00 9.18 C ATOM 584 C PRO A 37 -9.434 0.939 -5.484 1.00 9.85 C ATOM 585 O PRO A 37 -9.713 1.104 -4.263 1.00 8.51 O ATOM 586 CB PRO A 37 -11.794 0.728 -6.428 1.00 11.42 C ATOM 587 CG PRO A 37 -12.830 -0.442 -6.506 1.00 9.27 C ATOM 588 CD PRO A 37 -12.298 -1.316 -5.433 1.00 8.33 C ATOM 0 HA PRO A 37 -9.829 -0.238 -7.094 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.023 1.408 -5.608 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.793 1.321 -7.343 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.850 -0.112 -6.309 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.836 -0.931 -7.480 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.638 -0.983 -4.452 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.643 -2.343 -5.558 1.00 8.33 H new ATOM 596 N PRO A 38 -8.436 1.568 -6.117 1.00 8.71 N ATOM 597 CA PRO A 38 -7.435 2.398 -5.388 1.00 9.08 C ATOM 598 C PRO A 38 -8.088 3.549 -4.689 1.00 9.28 C ATOM 599 O PRO A 38 -7.528 3.917 -3.666 1.00 6.50 O ATOM 600 CB PRO A 38 -6.508 2.861 -6.489 1.00 10.31 C ATOM 601 CG PRO A 38 -6.351 1.621 -7.343 1.00 10.81 C ATOM 602 CD PRO A 38 -7.719 0.964 -7.321 1.00 12.00 C ATOM 0 HA PRO A 38 -6.915 1.853 -4.600 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.935 3.690 -7.054 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.551 3.203 -6.094 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.050 1.875 -8.359 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.586 0.957 -6.941 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.265 1.161 -8.244 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.634 -0.119 -7.226 1.00 12.00 H new ATOM 610 N ASP A 39 -9.216 4.120 -5.119 1.00 11.20 N ATOM 611 CA ASP A 39 -10.028 5.051 -4.394 1.00 14.96 C ATOM 612 C ASP A 39 -10.450 4.735 -3.022 1.00 13.99 C ATOM 613 O ASP A 39 -10.501 5.589 -2.130 1.00 13.75 O ATOM 614 CB ASP A 39 -11.294 5.327 -5.307 1.00 24.16 C ATOM 615 CG ASP A 39 -10.896 6.011 -6.547 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.194 5.462 -7.411 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.301 7.212 -6.713 1.00 34.22 O ATOM 0 H ASP A 39 -9.595 3.919 -6.044 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.383 5.910 -4.209 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.789 4.386 -5.547 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -12.015 5.937 -4.764 1.00 24.16 H new ATOM 622 N GLN A 40 -10.596 3.407 -2.729 1.00 11.60 N ATOM 623 CA GLN A 40 -10.908 2.912 -1.405 1.00 10.76 C ATOM 624 C GLN A 40 -9.665 2.730 -0.564 1.00 8.01 C ATOM 625 O GLN A 40 -9.782 2.553 0.633 1.00 8.96 O ATOM 626 CB GLN A 40 -11.641 1.597 -1.604 1.00 11.14 C ATOM 627 CG GLN A 40 -12.418 1.045 -0.418 1.00 14.85 C ATOM 628 CD GLN A 40 -12.892 -0.360 -0.684 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.124 -0.787 -1.802 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.149 -1.170 0.348 1.00 18.16 N ATOM 0 H GLN A 40 -10.495 2.670 -3.426 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.525 3.628 -0.861 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.336 1.721 -2.435 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.911 0.847 -1.908 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.787 1.057 0.471 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.274 1.687 -0.210 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -12.970 -0.854 1.301 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -13.524 -2.104 0.182 1.00 18.16 H new ATOM 639 N GLN A 41 -8.443 2.712 -1.157 1.00 6.52 N ATOM 640 CA GLN A 41 -7.240 2.283 -0.413 1.00 3.87 C ATOM 641 C GLN A 41 -6.438 3.355 0.227 1.00 4.79 C ATOM 642 O GLN A 41 -6.171 4.415 -0.329 1.00 6.34 O ATOM 643 CB GLN A 41 -6.308 1.552 -1.403 1.00 4.20 C ATOM 644 CG GLN A 41 -6.987 0.303 -2.073 1.00 3.20 C ATOM 645 CD GLN A 41 -5.959 -0.429 -2.900 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.776 -0.463 -2.537 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.315 -1.008 -4.064 1.00 7.13 N ATOM 0 H GLN A 41 -8.271 2.983 -2.125 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.618 1.667 0.403 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.993 2.249 -2.180 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.408 1.232 -0.878 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.396 -0.358 -1.309 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.820 0.619 -2.701 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.288 -0.984 -4.369 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.611 -1.470 -4.640 1.00 7.13 H new ATOM 656 N ARG A 42 -5.991 3.167 1.508 1.00 5.73 N ATOM 657 CA ARG A 42 -5.126 4.080 2.195 1.00 6.97 C ATOM 658 C ARG A 42 -4.038 3.200 2.762 1.00 7.15 C ATOM 659 O ARG A 42 -4.373 2.157 3.354 1.00 7.33 O ATOM 660 CB ARG A 42 -5.853 4.850 3.252 1.00 13.23 C ATOM 661 CG ARG A 42 -6.422 6.172 2.626 1.00 21.27 C ATOM 662 CD ARG A 42 -6.822 7.196 3.694 1.00 26.14 C ATOM 663 NE ARG A 42 -7.252 8.420 2.982 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.739 9.513 3.596 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.304 9.428 4.799 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.761 10.702 2.964 1.00 36.39 N ATOM 0 H ARG A 42 -6.246 2.354 2.068 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.723 4.850 1.537 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.664 4.249 3.663 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.180 5.084 4.077 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.673 6.611 1.967 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.289 5.936 2.010 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.629 6.809 4.316 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.983 7.410 4.356 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.174 8.436 1.965 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.372 8.525 5.268 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.669 10.266 5.252 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.406 10.780 2.011 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.132 11.525 3.438 1.00 36.39 H new ATOM 680 N LEU A 43 -2.768 3.576 2.635 1.00 4.65 N ATOM 681 CA LEU A 43 -1.720 2.699 3.043 1.00 3.51 C ATOM 682 C LEU A 43 -0.900 3.378 4.135 1.00 5.56 C ATOM 683 O LEU A 43 -0.541 4.547 4.063 1.00 4.19 O ATOM 684 CB LEU A 43 -0.906 2.502 1.765 1.00 3.74 C ATOM 685 CG LEU A 43 -1.424 1.456 0.746 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.525 1.284 -0.384 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.695 0.053 1.379 1.00 6.41 C ATOM 0 H LEU A 43 -2.461 4.472 2.256 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.062 1.750 3.457 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.839 3.464 1.256 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.108 2.221 2.051 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.371 1.870 0.399 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.936 0.540 -1.066 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.412 2.234 -0.907 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.449 0.949 -0.027 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.055 -0.630 0.610 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.772 -0.337 1.807 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.447 0.146 2.162 1.00 6.41 H new ATOM 699 N ILE A 44 -0.674 2.584 5.194 1.00 4.58 N ATOM 700 CA ILE A 44 0.036 2.963 6.402 1.00 5.55 C ATOM 701 C ILE A 44 1.283 2.188 6.573 1.00 5.46 C ATOM 702 O ILE A 44 1.324 0.930 6.629 1.00 6.04 O ATOM 703 CB ILE A 44 -0.898 2.900 7.603 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.242 3.638 7.433 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.206 3.377 8.812 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.144 5.122 7.248 1.00 13.90 C ATOM 0 H ILE A 44 -1.001 1.618 5.221 1.00 4.58 H new ATOM 0 HA ILE A 44 0.361 4.000 6.311 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.163 1.847 7.700 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.762 3.216 6.573 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.859 3.439 8.309 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.885 3.327 9.663 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.664 2.750 9.004 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.115 4.408 8.664 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.144 5.542 7.138 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.658 5.566 8.117 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.559 5.339 6.354 1.00 13.90 H new ATOM 718 N PHE A 45 2.442 2.900 6.698 1.00 6.75 N ATOM 719 CA PHE A 45 3.657 2.392 7.219 1.00 4.70 C ATOM 720 C PHE A 45 4.238 3.339 8.183 1.00 6.34 C ATOM 721 O PHE A 45 4.385 4.496 7.864 1.00 5.45 O ATOM 722 CB PHE A 45 4.680 2.190 6.074 1.00 5.51 C ATOM 723 CG PHE A 45 5.949 1.614 6.666 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.026 0.303 7.200 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.050 2.382 6.795 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.161 -0.155 7.844 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.290 1.905 7.416 1.00 6.64 C ATOM 728 CZ PHE A 45 8.242 0.665 7.969 1.00 6.84 C ATOM 0 H PHE A 45 2.512 3.877 6.415 1.00 6.75 H new ATOM 0 HA PHE A 45 3.442 1.443 7.711 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.275 1.518 5.317 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.888 3.139 5.579 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.176 -0.356 7.101 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.017 3.396 6.424 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.190 -1.157 8.246 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.188 2.504 7.433 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.095 0.315 8.531 1.00 6.84 H new ATOM 738 N ALA A 46 4.564 2.936 9.383 1.00 6.53 N ATOM 739 CA ALA A 46 5.224 3.695 10.432 1.00 7.15 C ATOM 740 C ALA A 46 4.279 4.749 11.039 1.00 9.00 C ATOM 741 O ALA A 46 4.753 5.774 11.545 1.00 11.15 O ATOM 742 CB ALA A 46 6.552 4.346 9.940 1.00 8.99 C ATOM 0 H ALA A 46 4.359 1.984 9.686 1.00 6.53 H new ATOM 0 HA ALA A 46 5.487 2.987 11.218 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.009 4.903 10.758 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.236 3.567 9.604 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.340 5.024 9.113 1.00 8.99 H new ATOM 748 N GLY A 47 2.939 4.529 10.975 1.00 9.35 N ATOM 749 CA GLY A 47 1.880 5.462 11.410 1.00 11.68 C ATOM 750 C GLY A 47 1.613 6.573 10.433 1.00 11.14 C ATOM 751 O GLY A 47 0.839 7.518 10.664 1.00 13.93 O ATOM 0 H GLY A 47 2.558 3.659 10.603 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.959 4.902 11.570 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.161 5.895 12.370 1.00 11.68 H new ATOM 755 N LYS A 48 2.224 6.419 9.236 1.00 10.47 N ATOM 756 CA LYS A 48 2.215 7.541 8.337 1.00 8.82 C ATOM 757 C LYS A 48 1.464 7.104 7.080 1.00 7.68 C ATOM 758 O LYS A 48 1.723 6.054 6.547 1.00 6.47 O ATOM 759 CB LYS A 48 3.572 8.101 7.843 1.00 9.74 C ATOM 760 CG LYS A 48 3.491 9.393 6.972 1.00 14.14 C ATOM 761 CD LYS A 48 4.845 10.089 6.565 1.00 16.32 C ATOM 762 CE LYS A 48 5.655 10.758 7.659 1.00 20.04 C ATOM 763 NZ LYS A 48 6.931 11.239 7.173 1.00 23.92 N ATOM 0 H LYS A 48 2.695 5.577 8.906 1.00 10.47 H new ATOM 0 HA LYS A 48 1.770 8.344 8.925 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.197 8.309 8.712 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.076 7.326 7.266 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.952 9.147 6.057 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.887 10.123 7.511 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.478 9.338 6.092 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.621 10.840 5.808 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.087 11.592 8.072 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.820 10.051 8.472 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.452 11.689 7.952 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.485 10.441 6.802 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.774 11.934 6.415 1.00 23.92 H new ATOM 777 N GLN A 49 0.535 7.926 6.563 1.00 8.89 N ATOM 778 CA GLN A 49 -0.154 7.651 5.360 1.00 7.18 C ATOM 779 C GLN A 49 0.587 7.920 4.073 1.00 8.23 C ATOM 780 O GLN A 49 0.973 9.031 3.837 1.00 9.70 O ATOM 781 CB GLN A 49 -1.459 8.472 5.326 1.00 11.67 C ATOM 782 CG GLN A 49 -2.467 8.042 4.218 1.00 15.82 C ATOM 783 CD GLN A 49 -3.671 8.908 4.331 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.388 8.961 5.326 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.039 9.603 3.190 1.00 20.67 N ATOM 0 H GLN A 49 0.261 8.806 7.001 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.312 6.573 5.388 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.949 8.391 6.296 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.208 9.523 5.183 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.015 8.144 3.231 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.739 6.993 4.337 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.450 9.566 2.358 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.899 10.152 3.182 1.00 20.67 H new ATOM 794 N LEU A 50 0.724 6.913 3.262 1.00 6.51 N ATOM 795 CA LEU A 50 1.698 7.108 2.185 1.00 7.41 C ATOM 796 C LEU A 50 1.067 7.765 0.900 1.00 8.27 C ATOM 797 O LEU A 50 -0.071 7.536 0.517 1.00 8.34 O ATOM 798 CB LEU A 50 2.380 5.709 1.887 1.00 7.13 C ATOM 799 CG LEU A 50 2.869 5.020 3.123 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.143 3.564 2.724 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.056 5.687 3.872 1.00 9.11 C ATOM 0 H LEU A 50 0.233 6.019 3.297 1.00 6.51 H new ATOM 0 HA LEU A 50 2.456 7.823 2.506 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.664 5.064 1.377 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.217 5.857 1.205 1.00 7.13 H new ATOM 0 HG LEU A 50 2.092 5.095 3.884 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.504 3.011 3.591 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.223 3.107 2.360 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.897 3.538 1.937 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.314 5.092 4.748 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.918 5.748 3.207 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.770 6.690 4.187 1.00 9.11 H new ATOM 813 N GLU A 51 1.764 8.673 0.278 1.00 9.43 N ATOM 814 CA GLU A 51 1.151 9.499 -0.763 1.00 11.90 C ATOM 815 C GLU A 51 1.520 8.987 -2.132 1.00 11.49 C ATOM 816 O GLU A 51 2.684 8.713 -2.461 1.00 9.88 O ATOM 817 CB GLU A 51 1.668 10.933 -0.646 1.00 16.56 C ATOM 818 CG GLU A 51 1.354 11.639 0.731 1.00 26.06 C ATOM 819 CD GLU A 51 1.492 13.127 0.524 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.628 13.658 0.498 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.468 13.778 0.277 1.00 32.13 O ATOM 0 H GLU A 51 2.748 8.871 0.460 1.00 9.43 H new ATOM 0 HA GLU A 51 0.069 9.462 -0.633 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.747 10.929 -0.799 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.235 11.527 -1.450 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.347 11.391 1.067 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.042 11.295 1.503 1.00 26.06 H new ATOM 828 N ASP A 52 0.478 8.831 -3.007 1.00 12.71 N ATOM 829 CA ASP A 52 0.458 8.522 -4.397 1.00 16.56 C ATOM 830 C ASP A 52 1.683 8.724 -5.247 1.00 15.83 C ATOM 831 O ASP A 52 2.226 7.776 -5.791 1.00 17.21 O ATOM 832 CB ASP A 52 -0.797 9.066 -5.046 1.00 21.05 C ATOM 833 CG ASP A 52 -2.025 8.687 -4.212 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.236 7.501 -4.109 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.781 9.596 -3.790 1.00 25.82 O ATOM 0 H ASP A 52 -0.476 8.943 -2.664 1.00 12.71 H new ATOM 0 HA ASP A 52 0.459 7.432 -4.370 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.729 10.150 -5.136 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.896 8.668 -6.056 1.00 21.05 H new ATOM 840 N GLY A 53 2.154 9.918 -5.233 1.00 15.00 N ATOM 841 CA GLY A 53 3.228 10.470 -5.989 1.00 11.77 C ATOM 842 C GLY A 53 4.638 10.230 -5.460 1.00 11.10 C ATOM 843 O GLY A 53 5.610 10.620 -6.096 1.00 11.25 O ATOM 0 H GLY A 53 1.747 10.620 -4.616 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.172 10.069 -7.001 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.072 11.546 -6.064 1.00 11.77 H new ATOM 847 N ARG A 54 4.741 9.562 -4.292 1.00 8.53 N ATOM 848 CA ARG A 54 5.985 9.130 -3.711 1.00 9.05 C ATOM 849 C ARG A 54 6.211 7.656 -3.932 1.00 8.96 C ATOM 850 O ARG A 54 5.247 6.930 -4.285 1.00 11.60 O ATOM 851 CB ARG A 54 5.839 9.353 -2.208 1.00 7.97 C ATOM 852 CG ARG A 54 5.631 10.834 -1.841 1.00 9.62 C ATOM 853 CD ARG A 54 6.707 11.791 -2.177 1.00 12.20 C ATOM 854 NE ARG A 54 6.309 13.142 -1.672 1.00 18.23 N ATOM 855 CZ ARG A 54 7.122 13.899 -0.928 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.404 13.544 -0.735 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.672 15.086 -0.501 1.00 23.38 N ATOM 0 H ARG A 54 3.928 9.312 -3.729 1.00 8.53 H new ATOM 0 HA ARG A 54 6.817 9.676 -4.157 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.995 8.770 -1.839 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.729 8.980 -1.702 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.718 11.174 -2.329 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.458 10.890 -0.766 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.648 11.479 -1.724 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.866 11.820 -3.255 1.00 12.20 H new ATOM 0 HE ARG A 54 5.382 13.499 -1.904 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.766 12.689 -1.158 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.015 14.129 -0.165 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.730 15.392 -0.745 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.271 15.684 0.068 1.00 23.38 H new ATOM 871 N THR A 55 7.499 7.234 -3.736 1.00 9.05 N ATOM 872 CA THR A 55 7.852 5.848 -3.980 1.00 9.03 C ATOM 873 C THR A 55 8.166 5.094 -2.707 1.00 8.15 C ATOM 874 O THR A 55 8.334 5.751 -1.671 1.00 5.91 O ATOM 875 CB THR A 55 9.115 5.660 -4.900 1.00 11.15 C ATOM 876 OG1 THR A 55 10.375 6.062 -4.369 1.00 11.95 O ATOM 877 CG2 THR A 55 8.917 6.316 -6.306 1.00 11.71 C ATOM 0 H THR A 55 8.265 7.829 -3.421 1.00 9.05 H new ATOM 0 HA THR A 55 6.962 5.457 -4.473 1.00 9.03 H new ATOM 0 HB THR A 55 9.175 4.574 -4.977 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.291 6.951 -3.966 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.812 6.163 -6.908 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.062 5.859 -6.804 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.738 7.385 -6.187 1.00 11.71 H new ATOM 885 N LEU A 56 8.163 3.737 -2.723 1.00 6.91 N ATOM 886 CA LEU A 56 8.476 3.004 -1.562 1.00 8.29 C ATOM 887 C LEU A 56 9.935 3.314 -0.987 1.00 8.05 C ATOM 888 O LEU A 56 10.137 3.314 0.223 1.00 10.17 O ATOM 889 CB LEU A 56 8.304 1.478 -1.924 1.00 6.60 C ATOM 890 CG LEU A 56 6.809 1.005 -2.147 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.661 -0.381 -2.834 1.00 9.85 C ATOM 892 CD2 LEU A 56 5.973 0.979 -0.818 1.00 8.64 C ATOM 0 H LEU A 56 7.943 3.170 -3.542 1.00 6.91 H new ATOM 0 HA LEU A 56 7.802 3.297 -0.757 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.874 1.269 -2.829 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.743 0.879 -1.126 1.00 6.60 H new ATOM 0 HG LEU A 56 6.416 1.763 -2.824 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.604 -0.621 -2.945 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.131 -0.352 -3.817 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.144 -1.143 -2.223 1.00 9.85 H new ATOM 0 HD21 LEU A 56 4.957 0.647 -1.033 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.437 0.292 -0.110 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.944 1.980 -0.387 1.00 8.64 H new ATOM 904 N SER A 57 10.902 3.676 -1.857 1.00 8.92 N ATOM 905 CA SER A 57 12.238 4.194 -1.492 1.00 9.00 C ATOM 906 C SER A 57 12.236 5.539 -0.739 1.00 9.44 C ATOM 907 O SER A 57 13.030 5.757 0.123 1.00 10.91 O ATOM 908 CB SER A 57 13.143 4.330 -2.723 1.00 10.32 C ATOM 909 OG SER A 57 14.499 4.259 -2.298 1.00 13.59 O ATOM 0 H SER A 57 10.770 3.614 -2.866 1.00 8.92 H new ATOM 0 HA SER A 57 12.625 3.443 -0.803 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.929 3.537 -3.440 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.954 5.277 -3.229 1.00 10.32 H new ATOM 0 HG SER A 57 15.090 4.343 -3.075 1.00 13.59 H new ATOM 915 N ASP A 58 11.199 6.323 -1.046 1.00 9.11 N ATOM 916 CA ASP A 58 11.030 7.563 -0.300 1.00 7.91 C ATOM 917 C ASP A 58 10.785 7.370 1.209 1.00 9.12 C ATOM 918 O ASP A 58 11.210 8.177 2.002 1.00 8.61 O ATOM 919 CB ASP A 58 9.896 8.417 -0.970 1.00 8.41 C ATOM 920 CG ASP A 58 10.334 8.949 -2.332 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.249 9.829 -2.349 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.738 8.591 -3.325 1.00 11.70 O ATOM 0 H ASP A 58 10.501 6.134 -1.766 1.00 9.11 H new ATOM 0 HA ASP A 58 11.978 8.098 -0.350 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.000 7.808 -1.086 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.633 9.251 -0.319 1.00 8.41 H new ATOM 927 N TYR A 59 10.136 6.245 1.574 1.00 7.97 N ATOM 928 CA TYR A 59 9.877 5.894 2.950 1.00 8.45 C ATOM 929 C TYR A 59 10.892 4.893 3.506 1.00 10.98 C ATOM 930 O TYR A 59 10.779 4.467 4.677 1.00 12.95 O ATOM 931 CB TYR A 59 8.448 5.383 3.177 1.00 7.94 C ATOM 932 CG TYR A 59 7.455 6.342 2.628 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.307 7.623 3.253 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.818 6.139 1.374 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.407 8.504 2.669 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.896 7.068 0.858 1.00 6.52 C ATOM 937 CZ TYR A 59 5.722 8.256 1.519 1.00 6.76 C ATOM 938 OH TYR A 59 4.735 9.133 1.063 1.00 7.63 O ATOM 0 H TYR A 59 9.782 5.563 0.904 1.00 7.97 H new ATOM 0 HA TYR A 59 9.988 6.826 3.504 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.324 4.411 2.700 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.272 5.240 4.243 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.869 7.890 4.136 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.047 5.251 0.804 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.239 9.451 3.161 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.337 6.850 -0.040 1.00 6.52 H new ATOM 0 HH TYR A 59 4.950 10.045 1.349 1.00 7.63 H new ATOM 948 N ASN A 60 11.866 4.449 2.672 1.00 12.38 N ATOM 949 CA ASN A 60 12.963 3.531 3.003 1.00 13.94 C ATOM 950 C ASN A 60 12.414 2.177 3.441 1.00 14.16 C ATOM 951 O ASN A 60 13.017 1.456 4.203 1.00 14.26 O ATOM 952 CB ASN A 60 14.007 4.093 4.011 1.00 19.23 C ATOM 953 CG ASN A 60 14.461 5.535 3.718 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.684 6.423 3.905 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.665 5.727 3.161 1.00 24.09 N ATOM 0 H ASN A 60 11.900 4.745 1.696 1.00 12.38 H new ATOM 0 HA ASN A 60 13.530 3.403 2.081 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.582 4.055 5.014 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.882 3.442 4.010 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.952 6.664 2.877 1.00 24.09 H new ATOM 0 HD22 ASN A 60 16.294 4.937 3.022 1.00 24.09 H new ATOM 962 N ILE A 61 11.334 1.742 2.769 1.00 11.08 N ATOM 963 CA ILE A 61 10.733 0.428 3.008 1.00 11.78 C ATOM 964 C ILE A 61 11.560 -0.708 2.372 1.00 13.74 C ATOM 965 O ILE A 61 11.761 -0.838 1.178 1.00 14.60 O ATOM 966 CB ILE A 61 9.320 0.446 2.378 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.528 1.504 3.208 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.664 -0.996 2.443 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.144 1.824 2.651 1.00 11.42 C ATOM 0 H ILE A 61 10.860 2.290 2.051 1.00 11.08 H new ATOM 0 HA ILE A 61 10.697 0.240 4.081 1.00 11.78 H new ATOM 0 HB ILE A 61 9.329 0.708 1.320 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.421 1.142 4.231 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.111 2.424 3.254 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.671 -0.964 1.995 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.286 -1.704 1.895 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.583 -1.313 3.483 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.660 2.567 3.285 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.241 2.218 1.639 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.541 0.916 2.631 1.00 11.42 H new ATOM 981 N GLN A 62 11.977 -1.655 3.212 1.00 13.97 N ATOM 982 CA GLN A 62 12.927 -2.731 2.912 1.00 15.52 C ATOM 983 C GLN A 62 12.288 -4.070 2.467 1.00 13.94 C ATOM 984 O GLN A 62 11.048 -4.307 2.552 1.00 12.15 O ATOM 985 CB GLN A 62 13.814 -2.953 4.077 1.00 19.53 C ATOM 986 CG GLN A 62 14.661 -1.750 4.431 1.00 26.38 C ATOM 987 CD GLN A 62 15.640 -1.983 5.609 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.416 -1.589 6.724 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.843 -2.560 5.319 1.00 32.71 N ATOM 0 H GLN A 62 11.643 -1.696 4.175 1.00 13.97 H new ATOM 0 HA GLN A 62 13.494 -2.386 2.047 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.206 -3.225 4.940 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.469 -3.799 3.869 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.233 -1.452 3.552 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.003 -0.918 4.680 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.034 -2.894 4.374 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.551 -2.657 6.047 1.00 32.71 H new ATOM 998 N LYS A 63 13.094 -5.052 2.011 1.00 11.73 N ATOM 999 CA LYS A 63 12.745 -6.390 1.740 1.00 11.97 C ATOM 1000 C LYS A 63 12.184 -7.109 2.985 1.00 10.41 C ATOM 1001 O LYS A 63 12.721 -7.001 4.098 1.00 9.59 O ATOM 1002 CB LYS A 63 13.960 -7.136 1.179 1.00 13.73 C ATOM 1003 CG LYS A 63 13.702 -8.535 0.658 1.00 16.98 C ATOM 1004 CD LYS A 63 14.656 -9.000 -0.363 1.00 20.19 C ATOM 1005 CE LYS A 63 16.122 -9.243 0.071 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.870 -9.492 -1.147 1.00 25.97 N ATOM 0 H LYS A 63 14.080 -4.874 1.819 1.00 11.73 H new ATOM 0 HA LYS A 63 11.949 -6.386 0.996 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.384 -6.541 0.370 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.717 -7.195 1.961 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.723 -9.230 1.498 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.696 -8.572 0.239 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.272 -9.931 -0.780 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.664 -8.269 -1.171 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.519 -8.378 0.601 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.191 -10.093 0.750 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.869 -9.663 -0.912 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.480 -10.327 -1.629 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.798 -8.665 -1.774 1.00 25.97 H new ATOM 1020 N GLU A 64 10.946 -7.713 2.741 1.00 10.04 N ATOM 1021 CA GLU A 64 10.111 -8.363 3.737 1.00 10.94 C ATOM 1022 C GLU A 64 9.665 -7.521 4.887 1.00 9.74 C ATOM 1023 O GLU A 64 9.634 -7.901 6.059 1.00 9.42 O ATOM 1024 CB GLU A 64 10.670 -9.750 4.139 1.00 18.31 C ATOM 1025 CG GLU A 64 10.863 -10.636 2.863 1.00 24.16 C ATOM 1026 CD GLU A 64 11.565 -11.853 3.256 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.827 -12.124 4.498 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.887 -12.756 2.444 1.00 31.72 O ATOM 0 H GLU A 64 10.532 -7.737 1.809 1.00 10.04 H new ATOM 0 HA GLU A 64 9.164 -8.535 3.225 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.621 -9.632 4.658 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.987 -10.240 4.833 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.897 -10.880 2.420 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.433 -10.095 2.107 1.00 24.16 H new ATOM 1035 N SER A 65 9.290 -6.264 4.588 1.00 6.85 N ATOM 1036 CA SER A 65 8.661 -5.258 5.388 1.00 6.90 C ATOM 1037 C SER A 65 7.131 -5.526 5.407 1.00 4.72 C ATOM 1038 O SER A 65 6.604 -6.125 4.461 1.00 3.91 O ATOM 1039 CB SER A 65 8.982 -3.864 4.803 1.00 7.28 C ATOM 1040 OG SER A 65 8.508 -2.921 5.770 1.00 10.56 O ATOM 0 H SER A 65 9.455 -5.908 3.647 1.00 6.85 H new ATOM 0 HA SER A 65 9.035 -5.287 6.412 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.052 -3.747 4.634 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.490 -3.720 3.841 1.00 7.28 H new ATOM 0 HG SER A 65 8.825 -2.024 5.535 1.00 10.56 H new ATOM 1046 N THR A 66 6.471 -5.199 6.525 1.00 4.48 N ATOM 1047 CA THR A 66 5.021 -5.300 6.591 1.00 3.80 C ATOM 1048 C THR A 66 4.418 -3.942 6.546 1.00 4.60 C ATOM 1049 O THR A 66 4.891 -3.005 7.260 1.00 5.33 O ATOM 1050 CB THR A 66 4.493 -6.004 7.782 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.978 -7.339 7.691 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.981 -6.044 7.975 1.00 3.40 C ATOM 0 H THR A 66 6.916 -4.868 7.381 1.00 4.48 H new ATOM 0 HA THR A 66 4.743 -5.902 5.726 1.00 3.80 H new ATOM 0 HB THR A 66 4.836 -5.435 8.646 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.659 -7.856 8.460 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.745 -6.592 8.887 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.597 -5.027 8.053 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.518 -6.542 7.123 1.00 3.40 H new ATOM 1060 N LEU A 67 3.396 -3.755 5.653 1.00 4.17 N ATOM 1061 CA LEU A 67 2.631 -2.570 5.358 1.00 3.85 C ATOM 1062 C LEU A 67 1.207 -2.810 5.861 1.00 3.80 C ATOM 1063 O LEU A 67 0.786 -3.959 6.130 1.00 5.54 O ATOM 1064 CB LEU A 67 2.660 -2.423 3.784 1.00 7.18 C ATOM 1065 CG LEU A 67 1.894 -1.197 3.138 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.568 0.091 3.665 1.00 8.12 C ATOM 1067 CD2 LEU A 67 1.995 -1.259 1.574 1.00 11.66 C ATOM 0 H LEU A 67 3.080 -4.535 5.077 1.00 4.17 H new ATOM 0 HA LEU A 67 3.020 -1.667 5.829 1.00 3.85 H new ATOM 0 HB2 LEU A 67 3.703 -2.366 3.473 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.249 -3.337 3.356 1.00 7.18 H new ATOM 0 HG LEU A 67 0.837 -1.218 3.405 1.00 9.67 H new ATOM 0 HD11 LEU A 67 2.068 0.962 3.242 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.494 0.122 4.752 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.618 0.098 3.373 1.00 8.12 H new ATOM 0 HD21 LEU A 67 1.464 -0.411 1.141 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.043 -1.222 1.275 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.548 -2.187 1.217 1.00 11.66 H new ATOM 1079 N HIS A 68 0.418 -1.758 5.987 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.975 -1.753 6.416 1.00 4.17 C ATOM 1081 C HIS A 68 -1.857 -1.118 5.375 1.00 5.32 C ATOM 1082 O HIS A 68 -1.556 -0.063 4.780 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.267 -1.141 7.735 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.762 -2.016 8.805 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.489 -2.093 9.382 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.452 -3.085 9.297 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.532 -3.184 10.145 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.647 -3.773 10.169 1.00 16.30 N ATOM 0 H HIS A 68 0.754 -0.818 5.778 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.195 -2.813 6.539 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.800 -0.159 7.803 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.341 -0.992 7.849 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.468 -3.347 9.041 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.408 -3.536 10.669 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.910 -4.584 10.728 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.055 -1.661 5.283 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.998 -1.069 4.370 1.00 3.97 C ATOM 1098 C LEU A 69 -5.257 -0.819 5.079 1.00 5.07 C ATOM 1099 O LEU A 69 -5.812 -1.680 5.722 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.192 -2.037 3.175 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.419 -1.883 2.148 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.221 -0.697 1.241 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.519 -3.130 1.337 1.00 9.96 C ATOM 0 H LEU A 69 -3.384 -2.473 5.805 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.635 -0.115 3.988 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.278 -1.993 2.583 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.254 -3.043 3.591 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.338 -1.722 2.711 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.066 -0.617 0.557 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.152 0.211 1.840 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.302 -0.826 0.669 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.348 -3.042 0.634 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.591 -3.281 0.786 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.692 -3.980 1.997 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.750 0.439 5.092 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.983 0.780 5.792 1.00 6.26 C ATOM 1117 C VAL A 70 -7.942 1.162 4.712 1.00 9.22 C ATOM 1118 O VAL A 70 -7.549 1.853 3.787 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.828 1.783 6.961 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.771 1.192 8.000 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.259 3.086 6.332 1.00 8.54 C ATOM 0 H VAL A 70 -5.304 1.227 4.622 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.368 -0.068 6.359 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.770 1.966 7.477 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.650 1.887 8.831 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.129 0.234 8.378 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -4.812 1.051 7.502 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.126 3.838 7.110 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.298 2.874 5.864 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.954 3.461 5.580 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.191 0.661 4.777 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.089 0.949 3.696 1.00 16.06 C ATOM 1133 C LEU A 71 -11.004 2.040 4.077 1.00 18.09 C ATOM 1134 O LEU A 71 -11.563 2.077 5.143 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.788 -0.412 3.348 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.707 -1.472 2.896 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.439 -2.747 2.371 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.858 -0.927 1.711 1.00 19.57 C ATOM 0 H LEU A 71 -9.566 0.088 5.533 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.590 1.321 2.801 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.333 -0.783 4.216 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.518 -0.263 2.553 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.067 -1.687 3.751 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.702 -3.486 2.056 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.056 -3.166 3.166 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.071 -2.481 1.524 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.121 -1.674 1.418 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.511 -0.710 0.866 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.347 -0.015 2.019 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.148 3.012 3.165 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.938 4.182 3.364 1.00 25.83 C ATOM 1152 C ARG A 72 -13.416 3.952 2.978 1.00 27.74 C ATOM 1153 O ARG A 72 -13.714 3.327 1.966 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.279 5.346 2.539 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.866 6.787 2.761 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.052 8.019 2.331 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.645 9.273 2.826 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.192 10.467 2.416 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.390 10.571 1.374 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.543 11.599 3.086 1.00 35.02 N ATOM 0 H ARG A 72 -10.696 2.982 2.251 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.957 4.447 4.421 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.215 5.371 2.776 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.364 5.103 1.480 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.823 6.832 2.241 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.077 6.892 3.825 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.032 7.928 2.705 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.991 8.052 1.243 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.415 9.233 3.494 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.104 9.735 0.865 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.056 11.488 1.077 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.152 11.540 3.902 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.197 12.506 2.772 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.372 4.626 3.635 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.722 4.832 3.145 1.00 30.76 C ATOM 1176 C LEU A 73 -15.996 6.296 3.169 1.00 32.18 C ATOM 1177 O LEU A 73 -15.749 6.986 4.171 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.752 4.109 3.988 1.00 30.53 C ATOM 1179 CG LEU A 73 -18.158 3.901 3.412 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -18.225 2.863 2.265 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -19.172 3.603 4.484 1.00 29.11 C ATOM 0 H LEU A 73 -14.211 5.051 4.548 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.796 4.429 2.135 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.347 3.128 4.235 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.856 4.656 4.925 1.00 30.53 H new ATOM 0 HG LEU A 73 -18.419 4.857 2.959 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -19.253 2.775 1.914 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.587 3.187 1.443 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.882 1.895 2.630 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -20.152 3.463 4.029 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.885 2.695 5.014 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -19.214 4.435 5.187 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.510 6.854 2.043 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.512 8.280 1.861 1.00 35.33 C ATOM 1195 C ARG A 74 -17.297 9.107 2.917 1.00 36.22 C ATOM 1196 O ARG A 74 -16.807 10.118 3.345 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.084 8.552 0.465 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.940 8.677 -0.665 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.807 9.752 -0.501 1.00 39.75 C ATOM 1200 NE ARG A 74 -13.829 9.760 -1.606 1.00 41.13 N ATOM 1201 CZ ARG A 74 -12.718 10.519 -1.702 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -12.404 11.462 -0.863 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -11.929 10.361 -2.735 1.00 41.93 N ATOM 0 H ARG A 74 -16.917 6.324 1.272 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.481 8.612 1.984 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.769 7.748 0.195 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.667 9.473 0.489 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.457 7.704 -0.750 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.439 8.870 -1.615 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.264 10.739 -0.425 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.281 9.571 0.436 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.013 9.123 -2.381 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.015 11.665 -0.072 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -11.547 11.998 -0.996 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -12.159 9.672 -3.451 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -11.085 10.927 -2.823 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.478 8.663 3.407 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.281 9.373 4.387 1.00 36.07 C ATOM 1219 C GLY A 75 -18.851 9.316 5.867 1.00 36.16 C ATOM 1220 O GLY A 75 -19.476 9.875 6.732 1.00 36.26 O ATOM 0 H GLY A 75 -18.894 7.779 3.115 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.315 10.422 4.091 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.299 8.990 4.322 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.746 8.606 6.158 1.00 36.05 N ATOM 1225 CA GLY A 76 -17.272 8.254 7.437 1.00 36.19 C ATOM 1226 C GLY A 76 -15.815 7.728 7.575 1.00 36.20 C ATOM 1227 O GLY A 76 -14.889 8.558 7.420 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.620 6.531 7.820 1.00 0.00 O ATOM 0 H GLY A 76 -17.138 8.252 5.419 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -17.369 9.130 8.078 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -17.938 7.490 7.838 1.00 36.19 H new TER 1232 GLY A 76