USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 829 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= 0.00654 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.549 K(o=-0.55,f=-1.9!) USER MOD Single : A 11 ASN : amide:sc= -3.17 X(o=-3.2,f=-3.4!) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 20 LYS NZ :NH3+ -130:sc= -0.974 (180deg=-3.49!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 24 SER OG : rot 9:sc= 0.0101 USER MOD Single : A 29 THR OG1 : rot 77:sc= -0.394 USER MOD Single : A 31 SER OG : rot 60:sc= 1.24 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 151:sc= -0.164 (180deg=-0.734) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 164:sc=-0.00129 (180deg=-0.05) USER MOD Single : A 44 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.9!) USER MOD Single : A 46 ASN : amide:sc= -3.58! C(o=-3.6!,f=-4.5!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc=-0.00383 X(o=-0.0038,f=-0.11) USER MOD Single : A 54 THR OG1 : rot 52:sc= 1.14 USER MOD Single : A 57 GLN : amide:sc= -0.853 K(o=-0.85,f=-3.9!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= -7.81! (180deg=-7.97!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.589 X(o=-0.59,f=-0.63) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 151:sc= -0.548 (180deg=-1.22) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0385 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 152:sc= -1.31 (180deg=-1.93) USER MOD Single : A 89 ASN : amide:sc= -0.0295 K(o=-0.03,f=-7.3!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.751 -10.798 -9.046 1.00 0.00 N ATOM 2 CA MET A 1 -11.890 -11.483 -8.098 1.00 0.00 C ATOM 3 C MET A 1 -12.697 -12.026 -6.917 1.00 0.00 C ATOM 4 O MET A 1 -13.912 -11.835 -6.850 1.00 0.00 O ATOM 5 CB MET A 1 -10.824 -10.512 -7.583 1.00 0.00 C ATOM 6 CG MET A 1 -9.421 -10.985 -7.965 1.00 0.00 C ATOM 7 SD MET A 1 -9.288 -11.130 -9.740 1.00 0.00 S ATOM 8 CE MET A 1 -7.908 -12.256 -9.856 1.00 0.00 C ATOM 0 H1 MET A 1 -12.288 -10.769 -9.977 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.655 -11.306 -9.124 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.927 -9.827 -8.717 1.00 0.00 H new ATOM 0 HA MET A 1 -11.416 -12.322 -8.607 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.002 -9.519 -7.996 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.900 -10.425 -6.499 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.677 -10.281 -7.593 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.212 -11.947 -7.497 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.689 -12.456 -10.905 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.034 -11.810 -9.381 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.157 -13.190 -9.353 1.00 0.00 H new ATOM 18 N ASP A 2 -11.992 -12.693 -6.015 1.00 0.00 N ATOM 19 CA ASP A 2 -12.629 -13.265 -4.840 1.00 0.00 C ATOM 20 C ASP A 2 -12.147 -12.524 -3.592 1.00 0.00 C ATOM 21 O ASP A 2 -11.102 -12.854 -3.034 1.00 0.00 O ATOM 22 CB ASP A 2 -12.264 -14.743 -4.683 1.00 0.00 C ATOM 23 CG ASP A 2 -11.712 -15.411 -5.944 1.00 0.00 C ATOM 24 OD1 ASP A 2 -10.789 -14.894 -6.589 1.00 0.00 O ATOM 25 OD2 ASP A 2 -12.279 -16.525 -6.262 1.00 0.00 O ATOM 0 H ASP A 2 -10.986 -12.850 -6.074 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.708 -13.170 -4.960 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.525 -14.836 -3.887 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.151 -15.288 -4.360 1.00 0.00 H new ATOM 31 N ILE A 3 -12.932 -11.536 -3.190 1.00 0.00 N ATOM 32 CA ILE A 3 -12.599 -10.745 -2.017 1.00 0.00 C ATOM 33 C ILE A 3 -13.742 -10.837 -1.004 1.00 0.00 C ATOM 34 O ILE A 3 -14.909 -10.908 -1.386 1.00 0.00 O ATOM 35 CB ILE A 3 -12.247 -9.312 -2.420 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.746 -9.165 -2.673 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.754 -8.309 -1.380 1.00 0.00 C ATOM 38 CD1 ILE A 3 -10.439 -7.866 -3.421 1.00 0.00 C ATOM 0 H ILE A 3 -13.798 -11.265 -3.655 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.709 -11.142 -1.529 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.754 -9.088 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.211 -9.177 -1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.386 -10.016 -3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.491 -7.298 -1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.837 -8.391 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -12.295 -8.523 -0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.365 -7.787 -3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.956 -7.868 -4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.778 -7.016 -2.828 1.00 0.00 H new ATOM 50 N SER A 4 -13.366 -10.830 0.266 1.00 0.00 N ATOM 51 CA SER A 4 -14.345 -10.912 1.336 1.00 0.00 C ATOM 52 C SER A 4 -13.930 -10.003 2.495 1.00 0.00 C ATOM 53 O SER A 4 -12.780 -10.032 2.931 1.00 0.00 O ATOM 54 CB SER A 4 -14.508 -12.352 1.825 1.00 0.00 C ATOM 55 OG SER A 4 -15.868 -12.668 2.112 1.00 0.00 O ATOM 0 H SER A 4 -12.397 -10.769 0.578 1.00 0.00 H new ATOM 0 HA SER A 4 -15.306 -10.578 0.946 1.00 0.00 H new ATOM 0 HB2 SER A 4 -14.129 -13.037 1.067 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.904 -12.501 2.720 1.00 0.00 H new ATOM 0 HG SER A 4 -15.930 -13.596 2.420 1.00 0.00 H new ATOM 61 N ILE A 5 -14.890 -9.215 2.961 1.00 0.00 N ATOM 62 CA ILE A 5 -14.638 -8.299 4.059 1.00 0.00 C ATOM 63 C ILE A 5 -14.725 -9.061 5.384 1.00 0.00 C ATOM 64 O ILE A 5 -15.656 -9.837 5.597 1.00 0.00 O ATOM 65 CB ILE A 5 -15.580 -7.096 3.980 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.613 -6.518 2.563 1.00 0.00 C ATOM 67 CG2 ILE A 5 -15.208 -6.039 5.022 1.00 0.00 C ATOM 68 CD1 ILE A 5 -14.273 -5.874 2.202 1.00 0.00 C ATOM 0 H ILE A 5 -15.843 -9.193 2.597 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.630 -7.891 3.990 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.589 -7.436 4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.845 -7.309 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -16.409 -5.777 2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -15.893 -5.195 4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.277 -6.472 6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.188 -5.696 4.845 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -14.324 -5.471 1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -14.056 -5.068 2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.483 -6.623 2.255 1.00 0.00 H new ATOM 80 N ILE A 6 -13.743 -8.814 6.238 1.00 0.00 N ATOM 81 CA ILE A 6 -13.697 -9.467 7.535 1.00 0.00 C ATOM 82 C ILE A 6 -14.295 -8.537 8.591 1.00 0.00 C ATOM 83 O ILE A 6 -15.260 -8.895 9.263 1.00 0.00 O ATOM 84 CB ILE A 6 -12.272 -9.926 7.854 1.00 0.00 C ATOM 85 CG1 ILE A 6 -11.717 -10.810 6.735 1.00 0.00 C ATOM 86 CG2 ILE A 6 -12.211 -10.618 9.216 1.00 0.00 C ATOM 87 CD1 ILE A 6 -12.250 -12.240 6.852 1.00 0.00 C ATOM 0 H ILE A 6 -12.973 -8.170 6.057 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.304 -10.372 7.527 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.634 -9.044 7.913 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.993 -10.393 5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.628 -10.819 6.780 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.188 -10.934 9.418 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.536 -9.924 9.991 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.866 -11.490 9.211 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.841 -12.848 6.045 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.952 -12.662 7.812 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.338 -12.230 6.783 1.00 0.00 H new ATOM 99 N SER A 7 -13.696 -7.360 8.704 1.00 0.00 N ATOM 100 CA SER A 7 -14.158 -6.376 9.668 1.00 0.00 C ATOM 101 C SER A 7 -14.032 -4.969 9.080 1.00 0.00 C ATOM 102 O SER A 7 -13.342 -4.769 8.080 1.00 0.00 O ATOM 103 CB SER A 7 -13.372 -6.475 10.977 1.00 0.00 C ATOM 104 OG SER A 7 -13.477 -7.768 11.566 1.00 0.00 O ATOM 0 H SER A 7 -12.896 -7.066 8.144 1.00 0.00 H new ATOM 0 HA SER A 7 -15.206 -6.580 9.888 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.323 -6.247 10.788 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.740 -5.726 11.678 1.00 0.00 H new ATOM 0 HG SER A 7 -12.960 -7.791 12.398 1.00 0.00 H new ATOM 110 N ASP A 8 -14.710 -4.030 9.723 1.00 0.00 N ATOM 111 CA ASP A 8 -14.683 -2.648 9.275 1.00 0.00 C ATOM 112 C ASP A 8 -14.470 -1.730 10.480 1.00 0.00 C ATOM 113 O ASP A 8 -15.418 -1.407 11.195 1.00 0.00 O ATOM 114 CB ASP A 8 -16.006 -2.257 8.613 1.00 0.00 C ATOM 115 CG ASP A 8 -17.240 -2.382 9.510 1.00 0.00 C ATOM 116 OD1 ASP A 8 -17.626 -3.489 9.914 1.00 0.00 O ATOM 117 OD2 ASP A 8 -17.821 -1.266 9.795 1.00 0.00 O ATOM 0 H ASP A 8 -15.281 -4.199 10.551 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.873 -2.544 8.553 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.931 -1.227 8.266 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.152 -2.881 7.731 1.00 0.00 H new ATOM 123 N ARG A 9 -13.219 -1.336 10.670 1.00 0.00 N ATOM 124 CA ARG A 9 -12.868 -0.462 11.776 1.00 0.00 C ATOM 125 C ARG A 9 -12.628 0.963 11.272 1.00 0.00 C ATOM 126 O ARG A 9 -11.953 1.162 10.264 1.00 0.00 O ATOM 127 CB ARG A 9 -11.613 -0.960 12.496 1.00 0.00 C ATOM 128 CG ARG A 9 -11.978 -1.734 13.763 1.00 0.00 C ATOM 129 CD ARG A 9 -11.429 -1.036 15.009 1.00 0.00 C ATOM 130 NE ARG A 9 -10.978 -2.042 15.996 1.00 0.00 N ATOM 131 CZ ARG A 9 -10.637 -1.752 17.271 1.00 0.00 C ATOM 132 NH1 ARG A 9 -10.694 -0.481 17.723 1.00 0.00 N ATOM 133 NH2 ARG A 9 -10.249 -2.730 18.066 1.00 0.00 N ATOM 0 H ARG A 9 -12.435 -1.607 10.076 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.701 -0.467 12.479 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.036 -1.600 11.828 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.977 -0.113 12.754 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.062 -1.823 13.839 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.578 -2.746 13.703 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.598 -0.386 14.735 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.199 -0.402 15.449 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.921 -3.015 15.695 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.996 0.269 17.101 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.435 -0.270 18.687 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.210 -3.687 17.715 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.988 -2.529 19.031 1.00 0.00 H new ATOM 146 N ASN A 10 -13.195 1.916 11.996 1.00 0.00 N ATOM 147 CA ASN A 10 -13.051 3.316 11.635 1.00 0.00 C ATOM 148 C ASN A 10 -12.300 4.051 12.748 1.00 0.00 C ATOM 149 O ASN A 10 -12.690 3.985 13.913 1.00 0.00 O ATOM 150 CB ASN A 10 -14.417 3.984 11.466 1.00 0.00 C ATOM 151 CG ASN A 10 -14.292 5.508 11.517 1.00 0.00 C ATOM 152 OD1 ASN A 10 -13.314 6.092 11.081 1.00 0.00 O ATOM 153 ND2 ASN A 10 -15.333 6.118 12.075 1.00 0.00 N ATOM 0 H ASN A 10 -13.755 1.746 12.831 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.505 3.367 10.693 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.858 3.683 10.516 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.092 3.644 12.252 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.344 7.135 12.158 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.121 5.569 12.420 1.00 0.00 H new ATOM 160 N ASN A 11 -11.237 4.733 12.349 1.00 0.00 N ATOM 161 CA ASN A 11 -10.428 5.478 13.298 1.00 0.00 C ATOM 162 C ASN A 11 -10.358 6.943 12.861 1.00 0.00 C ATOM 163 O ASN A 11 -9.480 7.322 12.087 1.00 0.00 O ATOM 164 CB ASN A 11 -8.999 4.933 13.352 1.00 0.00 C ATOM 165 CG ASN A 11 -8.966 3.447 12.993 1.00 0.00 C ATOM 166 OD1 ASN A 11 -8.168 2.995 12.187 1.00 0.00 O ATOM 167 ND2 ASN A 11 -9.875 2.715 13.630 1.00 0.00 N ATOM 0 H ASN A 11 -10.917 4.785 11.382 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.888 5.382 14.282 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.366 5.492 12.662 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.588 5.079 14.351 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.935 1.712 13.456 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.513 3.157 14.292 1.00 0.00 H new ATOM 174 N PRO A 12 -11.318 7.748 13.389 1.00 0.00 N ATOM 175 CA PRO A 12 -11.374 9.162 13.062 1.00 0.00 C ATOM 176 C PRO A 12 -10.275 9.937 13.791 1.00 0.00 C ATOM 177 O PRO A 12 -9.638 10.815 13.211 1.00 0.00 O ATOM 178 CB PRO A 12 -12.774 9.603 13.458 1.00 0.00 C ATOM 179 CG PRO A 12 -13.291 8.541 14.415 1.00 0.00 C ATOM 180 CD PRO A 12 -12.373 7.333 14.310 1.00 0.00 C ATOM 0 HA PRO A 12 -11.194 9.356 12.005 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.754 10.583 13.935 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.419 9.688 12.583 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.306 8.922 15.436 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.315 8.266 14.163 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.964 7.060 15.283 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.907 6.461 13.933 1.00 0.00 H new ATOM 188 N LEU A 13 -10.085 9.585 15.055 1.00 0.00 N ATOM 189 CA LEU A 13 -9.074 10.236 15.870 1.00 0.00 C ATOM 190 C LEU A 13 -7.743 10.244 15.114 1.00 0.00 C ATOM 191 O LEU A 13 -7.203 11.308 14.813 1.00 0.00 O ATOM 192 CB LEU A 13 -8.994 9.581 17.250 1.00 0.00 C ATOM 193 CG LEU A 13 -10.252 9.681 18.115 1.00 0.00 C ATOM 194 CD1 LEU A 13 -11.054 8.380 18.067 1.00 0.00 C ATOM 195 CD2 LEU A 13 -9.903 10.087 19.547 1.00 0.00 C ATOM 0 H LEU A 13 -10.615 8.857 15.534 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.344 11.276 16.052 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.752 8.527 17.116 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.165 10.031 17.796 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.887 10.466 17.705 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.943 8.477 18.690 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.352 8.174 17.039 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.439 7.560 18.438 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.815 10.151 20.140 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.237 9.343 19.984 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.407 11.058 19.539 1.00 0.00 H new ATOM 207 N LEU A 14 -7.253 9.047 14.832 1.00 0.00 N ATOM 208 CA LEU A 14 -5.996 8.902 14.117 1.00 0.00 C ATOM 209 C LEU A 14 -6.148 9.470 12.705 1.00 0.00 C ATOM 210 O LEU A 14 -5.156 9.732 12.027 1.00 0.00 O ATOM 211 CB LEU A 14 -5.528 7.445 14.147 1.00 0.00 C ATOM 212 CG LEU A 14 -5.317 6.836 15.535 1.00 0.00 C ATOM 213 CD1 LEU A 14 -5.538 5.323 15.508 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.939 7.204 16.091 1.00 0.00 C ATOM 0 H LEU A 14 -7.703 8.168 15.085 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.210 9.476 14.608 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.260 6.838 13.613 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.591 7.374 13.595 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.061 7.258 16.211 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.382 4.915 16.506 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.557 5.110 15.184 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.833 4.865 14.814 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.814 6.759 17.078 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.165 6.827 15.423 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.856 8.288 16.169 1.00 0.00 H new ATOM 226 N GLN A 15 -7.399 9.647 12.305 1.00 0.00 N ATOM 227 CA GLN A 15 -7.694 10.180 10.986 1.00 0.00 C ATOM 228 C GLN A 15 -7.355 9.148 9.908 1.00 0.00 C ATOM 229 O GLN A 15 -6.536 9.409 9.029 1.00 0.00 O ATOM 230 CB GLN A 15 -6.943 11.491 10.744 1.00 0.00 C ATOM 231 CG GLN A 15 -7.894 12.688 10.809 1.00 0.00 C ATOM 232 CD GLN A 15 -7.355 13.766 11.751 1.00 0.00 C ATOM 233 OE1 GLN A 15 -6.472 14.539 11.412 1.00 0.00 O ATOM 234 NE2 GLN A 15 -7.931 13.777 12.949 1.00 0.00 N ATOM 0 H GLN A 15 -8.219 9.431 12.871 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.761 10.395 10.933 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.156 11.606 11.489 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.457 11.461 9.769 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.027 13.106 9.811 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.875 12.359 11.151 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.664 13.103 13.169 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.640 14.460 13.649 1.00 0.00 H new ATOM 243 N ARG A 16 -8.005 7.998 10.011 1.00 0.00 N ATOM 244 CA ARG A 16 -7.784 6.926 9.056 1.00 0.00 C ATOM 245 C ARG A 16 -8.694 5.736 9.372 1.00 0.00 C ATOM 246 O ARG A 16 -8.931 5.426 10.539 1.00 0.00 O ATOM 247 CB ARG A 16 -6.325 6.463 9.076 1.00 0.00 C ATOM 248 CG ARG A 16 -5.749 6.528 10.491 1.00 0.00 C ATOM 249 CD ARG A 16 -4.254 6.203 10.489 1.00 0.00 C ATOM 250 NE ARG A 16 -4.031 4.843 11.032 1.00 0.00 N ATOM 251 CZ ARG A 16 -2.886 4.444 11.625 1.00 0.00 C ATOM 252 NH1 ARG A 16 -1.848 5.297 11.758 1.00 0.00 N ATOM 253 NH2 ARG A 16 -2.797 3.206 12.074 1.00 0.00 N ATOM 0 H ARG A 16 -8.685 7.785 10.741 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.018 7.313 8.064 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.258 5.442 8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.732 7.089 8.409 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.908 7.523 10.907 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.277 5.825 11.135 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.861 6.268 9.474 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.713 6.936 11.088 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.790 4.166 10.953 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.925 6.252 11.409 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.987 4.986 12.208 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.586 2.568 11.970 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.939 2.887 12.525 1.00 0.00 H new ATOM 266 N ARG A 17 -9.177 5.104 8.314 1.00 0.00 N ATOM 267 CA ARG A 17 -10.055 3.956 8.464 1.00 0.00 C ATOM 268 C ARG A 17 -9.324 2.673 8.065 1.00 0.00 C ATOM 269 O ARG A 17 -8.555 2.664 7.105 1.00 0.00 O ATOM 270 CB ARG A 17 -11.312 4.108 7.604 1.00 0.00 C ATOM 271 CG ARG A 17 -12.221 2.885 7.741 1.00 0.00 C ATOM 272 CD ARG A 17 -13.388 2.956 6.755 1.00 0.00 C ATOM 273 NE ARG A 17 -14.667 2.739 7.468 1.00 0.00 N ATOM 274 CZ ARG A 17 -15.879 2.779 6.877 1.00 0.00 C ATOM 275 NH1 ARG A 17 -15.989 3.028 5.554 1.00 0.00 N ATOM 276 NH2 ARG A 17 -16.957 2.572 7.611 1.00 0.00 N ATOM 0 H ARG A 17 -8.977 5.365 7.348 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.350 3.899 9.512 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.855 5.005 7.903 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.029 4.240 6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.645 1.977 7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.604 2.825 8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.398 3.927 6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.264 2.203 5.977 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.630 2.547 8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.152 3.188 4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.909 3.056 5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.866 2.385 8.610 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.881 2.599 7.179 1.00 0.00 H new ATOM 289 N GLU A 18 -9.590 1.619 8.823 1.00 0.00 N ATOM 290 CA GLU A 18 -8.966 0.332 8.560 1.00 0.00 C ATOM 291 C GLU A 18 -10.033 -0.755 8.417 1.00 0.00 C ATOM 292 O GLU A 18 -10.823 -0.979 9.334 1.00 0.00 O ATOM 293 CB GLU A 18 -7.963 -0.025 9.658 1.00 0.00 C ATOM 294 CG GLU A 18 -8.646 -0.088 11.026 1.00 0.00 C ATOM 295 CD GLU A 18 -7.613 -0.130 12.153 1.00 0.00 C ATOM 296 OE1 GLU A 18 -6.715 -0.985 12.140 1.00 0.00 O ATOM 297 OE2 GLU A 18 -7.766 0.769 13.066 1.00 0.00 O ATOM 0 H GLU A 18 -10.228 1.629 9.618 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.417 0.401 7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.500 -0.986 9.434 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.164 0.716 9.680 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.293 0.780 11.153 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.283 -0.971 11.078 1.00 0.00 H new ATOM 305 N ILE A 19 -10.023 -1.402 7.261 1.00 0.00 N ATOM 306 CA ILE A 19 -10.979 -2.460 6.986 1.00 0.00 C ATOM 307 C ILE A 19 -10.226 -3.749 6.652 1.00 0.00 C ATOM 308 O ILE A 19 -9.409 -3.773 5.733 1.00 0.00 O ATOM 309 CB ILE A 19 -11.965 -2.024 5.900 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.648 -0.707 6.276 1.00 0.00 C ATOM 311 CG2 ILE A 19 -12.977 -3.131 5.601 1.00 0.00 C ATOM 312 CD1 ILE A 19 -13.895 -0.473 5.421 1.00 0.00 C ATOM 0 H ILE A 19 -9.367 -1.213 6.503 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.584 -2.664 7.869 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.405 -1.845 4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.924 -0.724 7.330 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.950 0.120 6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.666 -2.795 4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -12.451 -4.022 5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.537 -3.367 6.506 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.362 0.469 5.708 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.612 -0.432 4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.601 -1.289 5.576 1.00 0.00 H new ATOM 324 N LYS A 20 -10.527 -4.788 7.416 1.00 0.00 N ATOM 325 CA LYS A 20 -9.889 -6.077 7.212 1.00 0.00 C ATOM 326 C LYS A 20 -10.698 -6.888 6.198 1.00 0.00 C ATOM 327 O LYS A 20 -11.924 -6.945 6.280 1.00 0.00 O ATOM 328 CB LYS A 20 -9.685 -6.792 8.549 1.00 0.00 C ATOM 329 CG LYS A 20 -9.184 -8.222 8.336 1.00 0.00 C ATOM 330 CD LYS A 20 -7.670 -8.308 8.542 1.00 0.00 C ATOM 331 CE LYS A 20 -6.919 -7.798 7.310 1.00 0.00 C ATOM 332 NZ LYS A 20 -5.635 -8.517 7.152 1.00 0.00 N ATOM 0 H LYS A 20 -11.205 -4.764 8.178 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.892 -5.945 6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.968 -6.238 9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.624 -6.811 9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.688 -8.895 9.030 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.437 -8.554 7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.384 -7.721 9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.385 -9.340 8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.532 -7.937 6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.734 -6.728 7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.866 -7.829 7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.449 -9.087 8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.686 -9.141 6.321 1.00 0.00 H new ATOM 345 N PHE A 21 -9.980 -7.496 5.265 1.00 0.00 N ATOM 346 CA PHE A 21 -10.616 -8.300 4.235 1.00 0.00 C ATOM 347 C PHE A 21 -9.644 -9.340 3.674 1.00 0.00 C ATOM 348 O PHE A 21 -8.496 -9.419 4.107 1.00 0.00 O ATOM 349 CB PHE A 21 -11.029 -7.347 3.113 1.00 0.00 C ATOM 350 CG PHE A 21 -9.915 -7.052 2.106 1.00 0.00 C ATOM 351 CD1 PHE A 21 -9.974 -7.578 0.853 1.00 0.00 C ATOM 352 CD2 PHE A 21 -8.866 -6.263 2.464 1.00 0.00 C ATOM 353 CE1 PHE A 21 -8.942 -7.304 -0.081 1.00 0.00 C ATOM 354 CE2 PHE A 21 -7.833 -5.990 1.529 1.00 0.00 C ATOM 355 CZ PHE A 21 -7.892 -6.515 0.276 1.00 0.00 C ATOM 0 H PHE A 21 -8.963 -7.448 5.201 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.472 -8.830 4.653 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.880 -7.774 2.583 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.365 -6.408 3.553 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.807 -8.204 0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.819 -5.845 3.459 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.990 -7.722 -1.076 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.000 -5.365 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 21 -7.106 -6.306 -0.435 1.00 0.00 H new ATOM 365 N THR A 22 -10.140 -10.111 2.718 1.00 0.00 N ATOM 366 CA THR A 22 -9.331 -11.143 2.093 1.00 0.00 C ATOM 367 C THR A 22 -9.419 -11.038 0.569 1.00 0.00 C ATOM 368 O THR A 22 -10.381 -10.490 0.034 1.00 0.00 O ATOM 369 CB THR A 22 -9.789 -12.498 2.636 1.00 0.00 C ATOM 370 OG1 THR A 22 -8.786 -12.847 3.587 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.709 -13.608 1.586 1.00 0.00 C ATOM 0 H THR A 22 -11.093 -10.042 2.361 1.00 0.00 H new ATOM 0 HA THR A 22 -8.276 -11.020 2.336 1.00 0.00 H new ATOM 0 HB THR A 22 -10.813 -12.416 2.999 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.005 -13.713 3.990 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.045 -14.548 2.024 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.346 -13.354 0.739 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.679 -13.714 1.246 1.00 0.00 H new ATOM 379 N VAL A 23 -8.399 -11.573 -0.088 1.00 0.00 N ATOM 380 CA VAL A 23 -8.349 -11.547 -1.540 1.00 0.00 C ATOM 381 C VAL A 23 -7.756 -12.863 -2.049 1.00 0.00 C ATOM 382 O VAL A 23 -6.699 -13.290 -1.590 1.00 0.00 O ATOM 383 CB VAL A 23 -7.572 -10.318 -2.015 1.00 0.00 C ATOM 384 CG1 VAL A 23 -6.398 -10.016 -1.079 1.00 0.00 C ATOM 385 CG2 VAL A 23 -7.091 -10.495 -3.457 1.00 0.00 C ATOM 0 H VAL A 23 -7.602 -12.026 0.359 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.353 -11.460 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.249 -9.464 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.862 -9.138 -1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.774 -9.825 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.721 -10.870 -1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.542 -9.607 -3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.438 -11.366 -3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.950 -10.639 -4.112 1.00 0.00 H new ATOM 395 N SER A 24 -8.464 -13.468 -2.992 1.00 0.00 N ATOM 396 CA SER A 24 -8.022 -14.726 -3.569 1.00 0.00 C ATOM 397 C SER A 24 -8.075 -14.649 -5.095 1.00 0.00 C ATOM 398 O SER A 24 -8.819 -13.844 -5.654 1.00 0.00 O ATOM 399 CB SER A 24 -8.874 -15.892 -3.066 1.00 0.00 C ATOM 400 OG SER A 24 -8.220 -17.146 -3.239 1.00 0.00 O ATOM 0 H SER A 24 -9.341 -13.110 -3.371 1.00 0.00 H new ATOM 0 HA SER A 24 -6.993 -14.903 -3.257 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.102 -15.745 -2.010 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.825 -15.903 -3.599 1.00 0.00 H new ATOM 0 HG SER A 24 -7.291 -16.995 -3.511 1.00 0.00 H new ATOM 406 N PHE A 25 -7.277 -15.497 -5.727 1.00 0.00 N ATOM 407 CA PHE A 25 -7.224 -15.536 -7.179 1.00 0.00 C ATOM 408 C PHE A 25 -6.769 -16.910 -7.674 1.00 0.00 C ATOM 409 O PHE A 25 -6.565 -17.825 -6.879 1.00 0.00 O ATOM 410 CB PHE A 25 -6.202 -14.485 -7.617 1.00 0.00 C ATOM 411 CG PHE A 25 -4.890 -14.525 -6.830 1.00 0.00 C ATOM 412 CD1 PHE A 25 -3.997 -15.527 -7.049 1.00 0.00 C ATOM 413 CD2 PHE A 25 -4.619 -13.560 -5.910 1.00 0.00 C ATOM 414 CE1 PHE A 25 -2.780 -15.565 -6.318 1.00 0.00 C ATOM 415 CE2 PHE A 25 -3.402 -13.598 -5.180 1.00 0.00 C ATOM 416 CZ PHE A 25 -2.508 -14.599 -5.398 1.00 0.00 C ATOM 0 H PHE A 25 -6.661 -16.163 -5.260 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.213 -15.340 -7.593 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.983 -14.625 -8.675 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.646 -13.495 -7.512 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.213 -16.293 -7.778 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.329 -12.765 -5.735 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.070 -16.360 -6.492 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.186 -12.831 -4.451 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.583 -14.628 -4.842 1.00 0.00 H new ATOM 426 N ASP A 26 -6.623 -17.011 -8.988 1.00 0.00 N ATOM 427 CA ASP A 26 -6.197 -18.258 -9.600 1.00 0.00 C ATOM 428 C ASP A 26 -4.711 -18.166 -9.952 1.00 0.00 C ATOM 429 O ASP A 26 -4.358 -17.910 -11.102 1.00 0.00 O ATOM 430 CB ASP A 26 -6.973 -18.533 -10.889 1.00 0.00 C ATOM 431 CG ASP A 26 -8.477 -18.268 -10.807 1.00 0.00 C ATOM 432 OD1 ASP A 26 -9.037 -18.095 -9.714 1.00 0.00 O ATOM 433 OD2 ASP A 26 -9.089 -18.244 -11.943 1.00 0.00 O ATOM 0 H ASP A 26 -6.792 -16.249 -9.645 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.383 -19.063 -8.889 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.554 -17.918 -11.686 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.818 -19.574 -11.174 1.00 0.00 H new ATOM 439 N ALA A 27 -3.881 -18.378 -8.941 1.00 0.00 N ATOM 440 CA ALA A 27 -2.442 -18.322 -9.131 1.00 0.00 C ATOM 441 C ALA A 27 -2.053 -16.934 -9.647 1.00 0.00 C ATOM 442 O ALA A 27 -2.870 -16.244 -10.254 1.00 0.00 O ATOM 443 CB ALA A 27 -2.007 -19.440 -10.081 1.00 0.00 C ATOM 0 H ALA A 27 -4.178 -18.589 -7.988 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.924 -18.479 -8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.927 -19.397 -10.223 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.279 -20.406 -9.655 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.505 -19.315 -11.043 1.00 0.00 H new ATOM 449 N ALA A 28 -0.806 -16.569 -9.385 1.00 0.00 N ATOM 450 CA ALA A 28 -0.300 -15.277 -9.815 1.00 0.00 C ATOM 451 C ALA A 28 -1.050 -14.168 -9.075 1.00 0.00 C ATOM 452 O ALA A 28 -2.269 -14.229 -8.928 1.00 0.00 O ATOM 453 CB ALA A 28 -0.432 -15.157 -11.335 1.00 0.00 C ATOM 0 H ALA A 28 -0.132 -17.145 -8.881 1.00 0.00 H new ATOM 0 HA ALA A 28 0.758 -15.179 -9.571 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.052 -14.188 -11.658 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.143 -15.950 -11.814 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.481 -15.248 -11.617 1.00 0.00 H new ATOM 459 N THR A 29 -0.290 -13.180 -8.628 1.00 0.00 N ATOM 460 CA THR A 29 -0.866 -12.058 -7.906 1.00 0.00 C ATOM 461 C THR A 29 -0.733 -10.773 -8.724 1.00 0.00 C ATOM 462 O THR A 29 0.282 -10.556 -9.386 1.00 0.00 O ATOM 463 CB THR A 29 -0.192 -11.980 -6.535 1.00 0.00 C ATOM 464 OG1 THR A 29 -1.073 -11.172 -5.760 1.00 0.00 O ATOM 465 CG2 THR A 29 1.113 -11.182 -6.570 1.00 0.00 C ATOM 0 H THR A 29 0.721 -13.133 -8.752 1.00 0.00 H new ATOM 0 HA THR A 29 -1.936 -12.196 -7.749 1.00 0.00 H new ATOM 0 HB THR A 29 0.008 -12.988 -6.171 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.847 -11.706 -5.482 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.551 -11.157 -5.572 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.811 -11.656 -7.261 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.908 -10.164 -6.902 1.00 0.00 H new ATOM 473 N PRO A 30 -1.797 -9.930 -8.648 1.00 0.00 N ATOM 474 CA PRO A 30 -1.809 -8.670 -9.374 1.00 0.00 C ATOM 475 C PRO A 30 -0.902 -7.641 -8.697 1.00 0.00 C ATOM 476 O PRO A 30 0.285 -7.554 -9.006 1.00 0.00 O ATOM 477 CB PRO A 30 -3.268 -8.248 -9.406 1.00 0.00 C ATOM 478 CG PRO A 30 -3.956 -9.039 -8.305 1.00 0.00 C ATOM 479 CD PRO A 30 -3.015 -10.154 -7.874 1.00 0.00 C ATOM 0 HA PRO A 30 -1.414 -8.762 -10.386 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.368 -7.176 -9.237 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.715 -8.461 -10.377 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.193 -8.392 -7.461 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.899 -9.452 -8.664 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.817 -10.113 -6.803 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.442 -11.135 -8.082 1.00 0.00 H new ATOM 487 N SER A 31 -1.498 -6.884 -7.786 1.00 0.00 N ATOM 488 CA SER A 31 -0.758 -5.863 -7.062 1.00 0.00 C ATOM 489 C SER A 31 -1.685 -5.144 -6.081 1.00 0.00 C ATOM 490 O SER A 31 -2.869 -5.467 -5.988 1.00 0.00 O ATOM 491 CB SER A 31 -0.122 -4.858 -8.025 1.00 0.00 C ATOM 492 OG SER A 31 1.200 -5.239 -8.397 1.00 0.00 O ATOM 0 H SER A 31 -2.483 -6.957 -7.533 1.00 0.00 H new ATOM 0 HA SER A 31 0.043 -6.349 -6.506 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.740 -4.772 -8.919 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.098 -3.873 -7.558 1.00 0.00 H new ATOM 0 HG SER A 31 1.176 -6.113 -8.839 1.00 0.00 H new ATOM 498 N ILE A 32 -1.112 -4.181 -5.373 1.00 0.00 N ATOM 499 CA ILE A 32 -1.872 -3.413 -4.401 1.00 0.00 C ATOM 500 C ILE A 32 -2.825 -2.469 -5.137 1.00 0.00 C ATOM 501 O ILE A 32 -4.036 -2.517 -4.930 1.00 0.00 O ATOM 502 CB ILE A 32 -0.932 -2.702 -3.427 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.283 -3.575 -3.101 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.679 -2.264 -2.166 1.00 0.00 C ATOM 505 CD1 ILE A 32 0.973 -3.096 -1.822 1.00 0.00 C ATOM 0 H ILE A 32 -0.131 -3.915 -5.453 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.486 -4.074 -3.789 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.559 -1.799 -3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.031 -4.612 -2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.988 -3.548 -3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.988 -1.761 -1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.483 -1.580 -2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.100 -3.139 -1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.833 -3.732 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.307 -2.067 -1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.272 -3.147 -0.989 1.00 0.00 H new ATOM 517 N LYS A 33 -2.241 -1.631 -5.981 1.00 0.00 N ATOM 518 CA LYS A 33 -3.024 -0.676 -6.749 1.00 0.00 C ATOM 519 C LYS A 33 -4.049 -1.430 -7.598 1.00 0.00 C ATOM 520 O LYS A 33 -5.160 -0.948 -7.809 1.00 0.00 O ATOM 521 CB LYS A 33 -2.104 0.239 -7.561 1.00 0.00 C ATOM 522 CG LYS A 33 -2.264 1.698 -7.131 1.00 0.00 C ATOM 523 CD LYS A 33 -1.136 2.117 -6.186 1.00 0.00 C ATOM 524 CE LYS A 33 0.233 1.830 -6.805 1.00 0.00 C ATOM 525 NZ LYS A 33 1.092 3.034 -6.745 1.00 0.00 N ATOM 0 H LYS A 33 -1.236 -1.593 -6.150 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.584 -0.018 -6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.068 -0.071 -7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.333 0.142 -8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.265 2.342 -8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.226 1.832 -6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.222 3.180 -5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.231 1.582 -5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.713 1.007 -6.275 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.111 1.514 -7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.017 2.822 -7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.640 3.809 -7.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.223 3.318 -5.753 1.00 0.00 H new ATOM 538 N ASP A 34 -3.638 -2.600 -8.065 1.00 0.00 N ATOM 539 CA ASP A 34 -4.507 -3.425 -8.887 1.00 0.00 C ATOM 540 C ASP A 34 -5.569 -4.078 -8.001 1.00 0.00 C ATOM 541 O ASP A 34 -6.667 -4.385 -8.466 1.00 0.00 O ATOM 542 CB ASP A 34 -3.717 -4.539 -9.577 1.00 0.00 C ATOM 543 CG ASP A 34 -3.290 -4.232 -11.015 1.00 0.00 C ATOM 544 OD1 ASP A 34 -2.442 -3.361 -11.257 1.00 0.00 O ATOM 545 OD2 ASP A 34 -3.875 -4.941 -11.920 1.00 0.00 O ATOM 0 H ASP A 34 -2.715 -2.996 -7.890 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.964 -2.786 -9.642 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.826 -4.752 -8.987 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.322 -5.446 -9.579 1.00 0.00 H new ATOM 551 N VAL A 35 -5.208 -4.272 -6.741 1.00 0.00 N ATOM 552 CA VAL A 35 -6.117 -4.885 -5.787 1.00 0.00 C ATOM 553 C VAL A 35 -7.090 -3.825 -5.266 1.00 0.00 C ATOM 554 O VAL A 35 -8.306 -3.998 -5.355 1.00 0.00 O ATOM 555 CB VAL A 35 -5.322 -5.566 -4.671 1.00 0.00 C ATOM 556 CG1 VAL A 35 -6.157 -5.676 -3.393 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.818 -6.940 -5.117 1.00 0.00 C ATOM 0 H VAL A 35 -4.298 -4.015 -6.358 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.709 -5.664 -6.268 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.453 -4.946 -4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.569 -6.164 -2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.445 -4.679 -3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.053 -6.264 -3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.256 -7.402 -4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.667 -7.572 -5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.171 -6.826 -5.987 1.00 0.00 H new ATOM 567 N LYS A 36 -6.522 -2.754 -4.736 1.00 0.00 N ATOM 568 CA LYS A 36 -7.325 -1.667 -4.201 1.00 0.00 C ATOM 569 C LYS A 36 -8.375 -1.258 -5.236 1.00 0.00 C ATOM 570 O LYS A 36 -9.425 -0.725 -4.882 1.00 0.00 O ATOM 571 CB LYS A 36 -6.429 -0.513 -3.744 1.00 0.00 C ATOM 572 CG LYS A 36 -5.694 0.114 -4.931 1.00 0.00 C ATOM 573 CD LYS A 36 -6.560 1.177 -5.612 1.00 0.00 C ATOM 574 CE LYS A 36 -6.037 2.583 -5.312 1.00 0.00 C ATOM 575 NZ LYS A 36 -5.766 3.315 -6.570 1.00 0.00 N ATOM 0 H LYS A 36 -5.514 -2.614 -4.665 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.864 -1.993 -3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.032 0.245 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.705 -0.877 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.761 0.563 -4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.430 -0.661 -5.651 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.568 1.010 -6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.590 1.087 -5.268 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.768 3.130 -4.716 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.125 2.519 -4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.894 4.335 -6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.789 3.131 -6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.425 2.993 -7.308 1.00 0.00 H new ATOM 588 N MET A 37 -8.054 -1.523 -6.494 1.00 0.00 N ATOM 589 CA MET A 37 -8.958 -1.189 -7.582 1.00 0.00 C ATOM 590 C MET A 37 -10.356 -1.755 -7.327 1.00 0.00 C ATOM 591 O MET A 37 -11.344 -1.025 -7.384 1.00 0.00 O ATOM 592 CB MET A 37 -8.408 -1.756 -8.893 1.00 0.00 C ATOM 593 CG MET A 37 -7.321 -0.848 -9.470 1.00 0.00 C ATOM 594 SD MET A 37 -7.901 -0.079 -10.973 1.00 0.00 S ATOM 595 CE MET A 37 -6.389 0.684 -11.536 1.00 0.00 C ATOM 0 H MET A 37 -7.182 -1.965 -6.784 1.00 0.00 H new ATOM 0 HA MET A 37 -9.033 -0.104 -7.648 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.001 -2.752 -8.720 1.00 0.00 H new ATOM 0 HB3 MET A 37 -9.218 -1.864 -9.615 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.050 -0.083 -8.742 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.421 -1.428 -9.673 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.574 1.211 -12.472 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.037 1.391 -10.785 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.632 -0.083 -11.696 1.00 0.00 H new ATOM 605 N LYS A 38 -10.395 -3.050 -7.054 1.00 0.00 N ATOM 606 CA LYS A 38 -11.656 -3.723 -6.790 1.00 0.00 C ATOM 607 C LYS A 38 -12.220 -3.234 -5.454 1.00 0.00 C ATOM 608 O LYS A 38 -13.379 -2.828 -5.377 1.00 0.00 O ATOM 609 CB LYS A 38 -11.480 -5.240 -6.865 1.00 0.00 C ATOM 610 CG LYS A 38 -10.418 -5.620 -7.899 1.00 0.00 C ATOM 611 CD LYS A 38 -9.130 -6.086 -7.218 1.00 0.00 C ATOM 612 CE LYS A 38 -8.804 -7.533 -7.594 1.00 0.00 C ATOM 613 NZ LYS A 38 -8.437 -7.625 -9.026 1.00 0.00 N ATOM 0 H LYS A 38 -9.573 -3.652 -7.010 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.389 -3.473 -7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.193 -5.625 -5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.430 -5.707 -7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.800 -6.412 -8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.206 -4.763 -8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.305 -5.436 -7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.235 -6.002 -6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.983 -7.899 -6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.664 -8.171 -7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.964 -8.534 -9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.296 -7.560 -9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.793 -6.846 -9.270 1.00 0.00 H new ATOM 626 N LEU A 39 -11.374 -3.288 -4.436 1.00 0.00 N ATOM 627 CA LEU A 39 -11.774 -2.855 -3.108 1.00 0.00 C ATOM 628 C LEU A 39 -12.369 -1.449 -3.192 1.00 0.00 C ATOM 629 O LEU A 39 -13.327 -1.133 -2.486 1.00 0.00 O ATOM 630 CB LEU A 39 -10.601 -2.970 -2.132 1.00 0.00 C ATOM 631 CG LEU A 39 -10.065 -4.382 -1.889 1.00 0.00 C ATOM 632 CD1 LEU A 39 -8.554 -4.441 -2.116 1.00 0.00 C ATOM 633 CD2 LEU A 39 -10.456 -4.885 -0.498 1.00 0.00 C ATOM 0 H LEU A 39 -10.414 -3.625 -4.504 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.553 -3.507 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.784 -2.352 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.909 -2.550 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.526 -5.052 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.198 -5.456 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.329 -4.154 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.056 -3.756 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.063 -5.891 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.042 -4.219 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.542 -4.904 -0.410 1.00 0.00 H new ATOM 645 N VAL A 40 -11.779 -0.642 -4.060 1.00 0.00 N ATOM 646 CA VAL A 40 -12.240 0.724 -4.246 1.00 0.00 C ATOM 647 C VAL A 40 -13.729 0.712 -4.595 1.00 0.00 C ATOM 648 O VAL A 40 -14.486 1.564 -4.131 1.00 0.00 O ATOM 649 CB VAL A 40 -11.383 1.427 -5.301 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.197 2.480 -6.055 1.00 0.00 C ATOM 651 CG2 VAL A 40 -10.135 2.047 -4.670 1.00 0.00 C ATOM 0 H VAL A 40 -10.985 -0.907 -4.643 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.127 1.294 -3.324 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.056 0.677 -6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.565 2.965 -6.799 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.040 2.001 -6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.567 3.226 -5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.544 2.540 -5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.432 2.778 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.538 1.265 -4.200 1.00 0.00 H new ATOM 661 N ALA A 41 -14.105 -0.262 -5.411 1.00 0.00 N ATOM 662 CA ALA A 41 -15.490 -0.395 -5.829 1.00 0.00 C ATOM 663 C ALA A 41 -16.318 -0.949 -4.668 1.00 0.00 C ATOM 664 O ALA A 41 -17.425 -0.480 -4.410 1.00 0.00 O ATOM 665 CB ALA A 41 -15.565 -1.282 -7.074 1.00 0.00 C ATOM 0 H ALA A 41 -13.474 -0.966 -5.794 1.00 0.00 H new ATOM 0 HA ALA A 41 -15.905 0.577 -6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.604 -1.382 -7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -14.985 -0.830 -7.878 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -15.159 -2.267 -6.844 1.00 0.00 H new ATOM 671 N VAL A 42 -15.747 -1.941 -3.998 1.00 0.00 N ATOM 672 CA VAL A 42 -16.418 -2.564 -2.870 1.00 0.00 C ATOM 673 C VAL A 42 -16.647 -1.518 -1.777 1.00 0.00 C ATOM 674 O VAL A 42 -17.765 -1.362 -1.287 1.00 0.00 O ATOM 675 CB VAL A 42 -15.612 -3.770 -2.383 1.00 0.00 C ATOM 676 CG1 VAL A 42 -16.342 -4.495 -1.251 1.00 0.00 C ATOM 677 CG2 VAL A 42 -15.304 -4.726 -3.538 1.00 0.00 C ATOM 0 H VAL A 42 -14.828 -2.328 -4.215 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.396 -2.942 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.664 -3.403 -1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.748 -5.348 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -16.487 -3.811 -0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -17.311 -4.843 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.730 -5.574 -3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.237 -5.082 -3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.725 -4.203 -4.299 1.00 0.00 H new ATOM 687 N LEU A 43 -15.571 -0.829 -1.426 1.00 0.00 N ATOM 688 CA LEU A 43 -15.641 0.198 -0.400 1.00 0.00 C ATOM 689 C LEU A 43 -16.334 1.437 -0.971 1.00 0.00 C ATOM 690 O LEU A 43 -17.012 2.162 -0.246 1.00 0.00 O ATOM 691 CB LEU A 43 -14.250 0.479 0.172 1.00 0.00 C ATOM 692 CG LEU A 43 -13.491 -0.732 0.717 1.00 0.00 C ATOM 693 CD1 LEU A 43 -12.256 -0.296 1.508 1.00 0.00 C ATOM 694 CD2 LEU A 43 -14.414 -1.631 1.544 1.00 0.00 C ATOM 0 H LEU A 43 -14.646 -0.962 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.243 -0.144 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.645 0.941 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.350 1.211 0.974 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.139 -1.323 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.735 -1.177 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.589 0.270 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.563 0.329 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.850 -2.484 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.817 -1.065 2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.233 -1.985 0.918 1.00 0.00 H new ATOM 706 N ASN A 44 -16.139 1.641 -2.266 1.00 0.00 N ATOM 707 CA ASN A 44 -16.737 2.780 -2.941 1.00 0.00 C ATOM 708 C ASN A 44 -16.334 4.066 -2.218 1.00 0.00 C ATOM 709 O ASN A 44 -17.193 4.844 -1.803 1.00 0.00 O ATOM 710 CB ASN A 44 -18.264 2.688 -2.929 1.00 0.00 C ATOM 711 CG ASN A 44 -18.866 3.428 -4.126 1.00 0.00 C ATOM 712 OD1 ASN A 44 -18.170 3.943 -4.985 1.00 0.00 O ATOM 713 ND2 ASN A 44 -20.197 3.450 -4.133 1.00 0.00 N ATOM 0 H ASN A 44 -15.576 1.037 -2.865 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.385 2.784 -3.972 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -18.569 1.642 -2.952 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.650 3.112 -2.002 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.695 3.918 -4.890 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.718 2.998 -3.382 1.00 0.00 H new ATOM 720 N ALA A 45 -15.028 4.250 -2.086 1.00 0.00 N ATOM 721 CA ALA A 45 -14.502 5.429 -1.420 1.00 0.00 C ATOM 722 C ALA A 45 -13.572 6.178 -2.374 1.00 0.00 C ATOM 723 O ALA A 45 -13.506 5.858 -3.561 1.00 0.00 O ATOM 724 CB ALA A 45 -13.798 5.012 -0.126 1.00 0.00 C ATOM 0 H ALA A 45 -14.319 3.602 -2.429 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.310 6.108 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.403 5.896 0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.510 4.511 0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.979 4.331 -0.360 1.00 0.00 H new ATOM 730 N ASN A 46 -12.876 7.161 -1.823 1.00 0.00 N ATOM 731 CA ASN A 46 -11.951 7.958 -2.612 1.00 0.00 C ATOM 732 C ASN A 46 -10.702 7.129 -2.918 1.00 0.00 C ATOM 733 O ASN A 46 -9.808 7.015 -2.081 1.00 0.00 O ATOM 734 CB ASN A 46 -11.513 9.209 -1.848 1.00 0.00 C ATOM 735 CG ASN A 46 -10.822 10.206 -2.780 1.00 0.00 C ATOM 736 OD1 ASN A 46 -10.937 10.144 -3.994 1.00 0.00 O ATOM 737 ND2 ASN A 46 -10.098 11.125 -2.148 1.00 0.00 N ATOM 0 H ASN A 46 -12.934 7.424 -0.839 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.459 8.255 -3.530 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.381 9.679 -1.385 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.835 8.929 -1.042 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.596 11.835 -2.682 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.044 11.120 -1.129 1.00 0.00 H new ATOM 744 N LYS A 47 -10.681 6.571 -4.119 1.00 0.00 N ATOM 745 CA LYS A 47 -9.557 5.755 -4.546 1.00 0.00 C ATOM 746 C LYS A 47 -8.274 6.586 -4.474 1.00 0.00 C ATOM 747 O LYS A 47 -7.178 6.036 -4.376 1.00 0.00 O ATOM 748 CB LYS A 47 -9.824 5.155 -5.928 1.00 0.00 C ATOM 749 CG LYS A 47 -10.023 6.253 -6.974 1.00 0.00 C ATOM 750 CD LYS A 47 -8.691 6.638 -7.623 1.00 0.00 C ATOM 751 CE LYS A 47 -8.146 5.492 -8.478 1.00 0.00 C ATOM 752 NZ LYS A 47 -7.436 6.021 -9.663 1.00 0.00 N ATOM 0 H LYS A 47 -11.425 6.668 -4.810 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.426 4.906 -3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.989 4.518 -6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.710 4.521 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.719 5.910 -7.739 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.471 7.130 -6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.827 7.525 -8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.967 6.896 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.468 4.878 -7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.965 4.846 -8.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.073 5.230 -10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.093 6.587 -10.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.643 6.618 -9.354 1.00 0.00 H new ATOM 765 N GLN A 48 -8.453 7.899 -4.527 1.00 0.00 N ATOM 766 CA GLN A 48 -7.323 8.811 -4.469 1.00 0.00 C ATOM 767 C GLN A 48 -6.507 8.565 -3.199 1.00 0.00 C ATOM 768 O GLN A 48 -5.350 8.155 -3.270 1.00 0.00 O ATOM 769 CB GLN A 48 -7.789 10.266 -4.549 1.00 0.00 C ATOM 770 CG GLN A 48 -8.095 10.665 -5.994 1.00 0.00 C ATOM 771 CD GLN A 48 -7.368 11.958 -6.370 1.00 0.00 C ATOM 772 OE1 GLN A 48 -7.345 12.927 -5.629 1.00 0.00 O ATOM 773 NE2 GLN A 48 -6.779 11.920 -7.562 1.00 0.00 N ATOM 0 H GLN A 48 -9.363 8.352 -4.609 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.683 8.621 -5.330 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.679 10.401 -3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.019 10.921 -4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.792 9.864 -6.668 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.170 10.798 -6.119 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.837 11.077 -8.133 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.270 12.734 -7.905 1.00 0.00 H new ATOM 782 N VAL A 49 -7.142 8.825 -2.065 1.00 0.00 N ATOM 783 CA VAL A 49 -6.489 8.638 -0.782 1.00 0.00 C ATOM 784 C VAL A 49 -6.884 7.275 -0.208 1.00 0.00 C ATOM 785 O VAL A 49 -7.396 7.192 0.908 1.00 0.00 O ATOM 786 CB VAL A 49 -6.829 9.801 0.153 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.402 11.137 -0.457 1.00 0.00 C ATOM 788 CG2 VAL A 49 -8.320 9.808 0.500 1.00 0.00 C ATOM 0 H VAL A 49 -8.102 9.164 -2.009 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.406 8.640 -0.901 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.270 9.661 1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.655 11.947 0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.326 11.131 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.921 11.287 -1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.535 10.644 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.906 9.911 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.583 8.873 0.995 1.00 0.00 H new ATOM 798 N LEU A 50 -6.632 6.241 -0.997 1.00 0.00 N ATOM 799 CA LEU A 50 -6.953 4.886 -0.581 1.00 0.00 C ATOM 800 C LEU A 50 -5.774 3.965 -0.900 1.00 0.00 C ATOM 801 O LEU A 50 -5.212 4.026 -1.992 1.00 0.00 O ATOM 802 CB LEU A 50 -8.274 4.433 -1.207 1.00 0.00 C ATOM 803 CG LEU A 50 -8.609 2.947 -1.067 1.00 0.00 C ATOM 804 CD1 LEU A 50 -10.102 2.743 -0.805 1.00 0.00 C ATOM 805 CD2 LEU A 50 -8.128 2.160 -2.289 1.00 0.00 C ATOM 0 H LEU A 50 -6.209 6.314 -1.922 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.106 4.845 0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.082 5.011 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.254 4.682 -2.268 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.075 2.556 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.312 1.678 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.383 3.252 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.677 3.153 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.378 1.106 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.615 2.545 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.048 2.267 -2.389 1.00 0.00 H new ATOM 817 N VAL A 51 -5.434 3.134 0.075 1.00 0.00 N ATOM 818 CA VAL A 51 -4.332 2.202 -0.089 1.00 0.00 C ATOM 819 C VAL A 51 -4.543 1.001 0.835 1.00 0.00 C ATOM 820 O VAL A 51 -5.503 0.968 1.606 1.00 0.00 O ATOM 821 CB VAL A 51 -3.001 2.917 0.154 1.00 0.00 C ATOM 822 CG1 VAL A 51 -1.895 2.331 -0.726 1.00 0.00 C ATOM 823 CG2 VAL A 51 -3.139 4.424 -0.069 1.00 0.00 C ATOM 0 H VAL A 51 -5.902 3.087 0.980 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.301 1.824 -1.111 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.720 2.757 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.960 2.857 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.770 1.273 -0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.166 2.445 -1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.179 4.908 0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.454 4.613 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.882 4.827 0.619 1.00 0.00 H new ATOM 833 N VAL A 52 -3.632 0.046 0.730 1.00 0.00 N ATOM 834 CA VAL A 52 -3.707 -1.154 1.548 1.00 0.00 C ATOM 835 C VAL A 52 -2.586 -1.127 2.589 1.00 0.00 C ATOM 836 O VAL A 52 -1.523 -0.557 2.346 1.00 0.00 O ATOM 837 CB VAL A 52 -3.667 -2.397 0.658 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.955 -3.554 1.363 1.00 0.00 C ATOM 839 CG2 VAL A 52 -5.075 -2.804 0.221 1.00 0.00 C ATOM 0 H VAL A 52 -2.837 0.078 0.091 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.652 -1.189 2.089 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.097 -2.149 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.941 -4.425 0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.932 -3.261 1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.485 -3.800 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.018 -3.690 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.680 -3.024 1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.532 -1.988 -0.339 1.00 0.00 H new ATOM 849 N ASP A 53 -2.862 -1.749 3.725 1.00 0.00 N ATOM 850 CA ASP A 53 -1.890 -1.805 4.804 1.00 0.00 C ATOM 851 C ASP A 53 -0.867 -2.903 4.507 1.00 0.00 C ATOM 852 O ASP A 53 0.333 -2.638 4.446 1.00 0.00 O ATOM 853 CB ASP A 53 -2.564 -2.134 6.137 1.00 0.00 C ATOM 854 CG ASP A 53 -2.518 -1.015 7.179 1.00 0.00 C ATOM 855 OD1 ASP A 53 -2.752 0.161 6.863 1.00 0.00 O ATOM 856 OD2 ASP A 53 -2.223 -1.396 8.376 1.00 0.00 O ATOM 0 H ASP A 53 -3.745 -2.219 3.922 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.409 -0.829 4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.606 -2.390 5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.090 -3.021 6.557 1.00 0.00 H new ATOM 862 N THR A 54 -1.379 -4.112 4.329 1.00 0.00 N ATOM 863 CA THR A 54 -0.524 -5.251 4.042 1.00 0.00 C ATOM 864 C THR A 54 -1.363 -6.440 3.569 1.00 0.00 C ATOM 865 O THR A 54 -2.573 -6.476 3.785 1.00 0.00 O ATOM 866 CB THR A 54 0.304 -5.550 5.293 1.00 0.00 C ATOM 867 OG1 THR A 54 1.573 -4.964 5.017 1.00 0.00 O ATOM 868 CG2 THR A 54 0.609 -7.041 5.450 1.00 0.00 C ATOM 0 H THR A 54 -2.375 -4.327 4.378 1.00 0.00 H new ATOM 0 HA THR A 54 0.164 -5.033 3.226 1.00 0.00 H new ATOM 0 HB THR A 54 -0.228 -5.193 6.175 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.450 -4.033 4.739 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.199 -7.199 6.353 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.325 -7.598 5.525 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.171 -7.391 4.584 1.00 0.00 H new ATOM 876 N LEU A 55 -0.686 -7.385 2.933 1.00 0.00 N ATOM 877 CA LEU A 55 -1.353 -8.573 2.428 1.00 0.00 C ATOM 878 C LEU A 55 -0.463 -9.794 2.669 1.00 0.00 C ATOM 879 O LEU A 55 0.703 -9.655 3.035 1.00 0.00 O ATOM 880 CB LEU A 55 -1.752 -8.381 0.963 1.00 0.00 C ATOM 881 CG LEU A 55 -3.006 -9.130 0.507 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.085 -8.154 0.033 1.00 0.00 C ATOM 883 CD2 LEU A 55 -2.665 -10.171 -0.562 1.00 0.00 C ATOM 0 H LEU A 55 0.318 -7.352 2.756 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.284 -8.746 2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.903 -7.316 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.917 -8.694 0.336 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.412 -9.669 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.966 -8.712 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.355 -7.485 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.704 -7.569 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.574 -10.689 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.222 -9.674 -1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.956 -10.892 -0.155 1.00 0.00 H new ATOM 895 N ASP A 56 -1.047 -10.964 2.453 1.00 0.00 N ATOM 896 CA ASP A 56 -0.322 -12.208 2.642 1.00 0.00 C ATOM 897 C ASP A 56 -1.057 -13.337 1.917 1.00 0.00 C ATOM 898 O ASP A 56 -2.187 -13.673 2.266 1.00 0.00 O ATOM 899 CB ASP A 56 -0.237 -12.577 4.125 1.00 0.00 C ATOM 900 CG ASP A 56 1.165 -12.497 4.731 1.00 0.00 C ATOM 901 OD1 ASP A 56 1.800 -13.526 5.011 1.00 0.00 O ATOM 902 OD2 ASP A 56 1.612 -11.301 4.920 1.00 0.00 O ATOM 0 H ASP A 56 -2.014 -11.076 2.149 1.00 0.00 H new ATOM 0 HA ASP A 56 0.684 -12.075 2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.898 -11.917 4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.615 -13.591 4.254 1.00 0.00 H new ATOM 908 N GLN A 57 -0.384 -13.891 0.919 1.00 0.00 N ATOM 909 CA GLN A 57 -0.958 -14.975 0.140 1.00 0.00 C ATOM 910 C GLN A 57 -0.861 -16.293 0.912 1.00 0.00 C ATOM 911 O GLN A 57 0.230 -16.714 1.292 1.00 0.00 O ATOM 912 CB GLN A 57 -0.279 -15.089 -1.227 1.00 0.00 C ATOM 913 CG GLN A 57 -0.970 -16.142 -2.096 1.00 0.00 C ATOM 914 CD GLN A 57 -0.015 -16.685 -3.161 1.00 0.00 C ATOM 915 OE1 GLN A 57 1.064 -16.165 -3.388 1.00 0.00 O ATOM 916 NE2 GLN A 57 -0.472 -17.760 -3.798 1.00 0.00 N ATOM 0 H GLN A 57 0.553 -13.609 0.632 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.011 -14.754 -0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.304 -14.123 -1.731 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.770 -15.353 -1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.325 -16.960 -1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.846 -15.705 -2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.386 -18.145 -3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.091 -18.199 -4.526 1.00 0.00 H new ATOM 925 N ILE A 58 -2.016 -16.907 1.119 1.00 0.00 N ATOM 926 CA ILE A 58 -2.076 -18.168 1.838 1.00 0.00 C ATOM 927 C ILE A 58 -1.318 -19.236 1.048 1.00 0.00 C ATOM 928 O ILE A 58 -1.373 -19.262 -0.180 1.00 0.00 O ATOM 929 CB ILE A 58 -3.527 -18.544 2.144 1.00 0.00 C ATOM 930 CG1 ILE A 58 -4.308 -17.335 2.663 1.00 0.00 C ATOM 931 CG2 ILE A 58 -3.594 -19.727 3.112 1.00 0.00 C ATOM 932 CD1 ILE A 58 -5.440 -17.771 3.596 1.00 0.00 C ATOM 0 H ILE A 58 -2.919 -16.554 0.801 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.585 -18.077 2.807 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.001 -18.860 1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.634 -16.663 3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.720 -16.776 1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.636 -19.974 3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.096 -20.589 2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.097 -19.462 4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.979 -16.892 3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.126 -18.424 3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.023 -18.308 4.448 1.00 0.00 H new ATOM 944 N PHE A 59 -0.627 -20.095 1.786 1.00 0.00 N ATOM 945 CA PHE A 59 0.141 -21.163 1.169 1.00 0.00 C ATOM 946 C PHE A 59 -0.727 -22.402 0.943 1.00 0.00 C ATOM 947 O PHE A 59 -0.714 -22.985 -0.140 1.00 0.00 O ATOM 948 CB PHE A 59 1.272 -21.516 2.137 1.00 0.00 C ATOM 949 CG PHE A 59 2.063 -22.764 1.740 1.00 0.00 C ATOM 950 CD1 PHE A 59 1.636 -23.994 2.131 1.00 0.00 C ATOM 951 CD2 PHE A 59 3.195 -22.642 0.995 1.00 0.00 C ATOM 952 CE1 PHE A 59 2.371 -25.151 1.762 1.00 0.00 C ATOM 953 CE2 PHE A 59 3.930 -23.800 0.626 1.00 0.00 C ATOM 954 CZ PHE A 59 3.502 -25.030 1.018 1.00 0.00 C ATOM 0 H PHE A 59 -0.584 -20.072 2.805 1.00 0.00 H new ATOM 0 HA PHE A 59 0.521 -20.838 0.201 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.957 -20.670 2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.852 -21.666 3.132 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.738 -24.091 2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.535 -21.665 0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.031 -26.128 2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.828 -23.704 0.034 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.061 -25.911 0.738 1.00 0.00 H new ATOM 964 N GLY A 60 -1.462 -22.768 1.983 1.00 0.00 N ATOM 965 CA GLY A 60 -2.335 -23.927 1.912 1.00 0.00 C ATOM 966 C GLY A 60 -3.045 -23.997 0.558 1.00 0.00 C ATOM 967 O GLY A 60 -2.942 -24.997 -0.151 1.00 0.00 O ATOM 0 H GLY A 60 -1.471 -22.282 2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.753 -24.835 2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.074 -23.880 2.712 1.00 0.00 H new ATOM 971 N LYS A 61 -3.749 -22.921 0.238 1.00 0.00 N ATOM 972 CA LYS A 61 -4.475 -22.847 -1.018 1.00 0.00 C ATOM 973 C LYS A 61 -4.000 -21.625 -1.806 1.00 0.00 C ATOM 974 O LYS A 61 -2.866 -21.177 -1.641 1.00 0.00 O ATOM 975 CB LYS A 61 -5.984 -22.868 -0.767 1.00 0.00 C ATOM 976 CG LYS A 61 -6.455 -21.551 -0.145 1.00 0.00 C ATOM 977 CD LYS A 61 -7.982 -21.488 -0.087 1.00 0.00 C ATOM 978 CE LYS A 61 -8.489 -21.790 1.325 1.00 0.00 C ATOM 979 NZ LYS A 61 -9.682 -20.970 1.634 1.00 0.00 N ATOM 0 H LYS A 61 -3.832 -22.093 0.828 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.265 -23.723 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.510 -23.039 -1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.235 -23.697 -0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.045 -21.452 0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.075 -20.713 -0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.321 -20.499 -0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.406 -22.204 -0.791 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.736 -22.848 1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.702 -21.586 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.013 -21.187 2.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.436 -19.962 1.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.437 -21.184 0.951 1.00 0.00 H new ATOM 992 N LEU A 62 -4.890 -21.119 -2.646 1.00 0.00 N ATOM 993 CA LEU A 62 -4.576 -19.957 -3.460 1.00 0.00 C ATOM 994 C LEU A 62 -5.329 -18.741 -2.917 1.00 0.00 C ATOM 995 O LEU A 62 -5.905 -17.970 -3.683 1.00 0.00 O ATOM 996 CB LEU A 62 -4.857 -20.245 -4.936 1.00 0.00 C ATOM 997 CG LEU A 62 -4.215 -21.511 -5.507 1.00 0.00 C ATOM 998 CD1 LEU A 62 -5.186 -22.252 -6.427 1.00 0.00 C ATOM 999 CD2 LEU A 62 -2.894 -21.188 -6.208 1.00 0.00 C ATOM 0 H LEU A 62 -5.830 -21.493 -2.781 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.512 -19.727 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.936 -20.315 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.516 -19.392 -5.523 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.984 -22.180 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.704 -23.148 -6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.076 -22.535 -5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.471 -21.602 -7.254 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.459 -22.105 -6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.077 -20.490 -7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.204 -20.738 -5.494 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.301 -18.607 -1.599 1.00 0.00 N ATOM 1012 CA GLU A 63 -5.973 -17.498 -0.944 1.00 0.00 C ATOM 1013 C GLU A 63 -4.959 -16.427 -0.539 1.00 0.00 C ATOM 1014 O GLU A 63 -3.751 -16.642 -0.636 1.00 0.00 O ATOM 1015 CB GLU A 63 -6.775 -17.980 0.267 1.00 0.00 C ATOM 1016 CG GLU A 63 -7.997 -17.090 0.504 1.00 0.00 C ATOM 1017 CD GLU A 63 -7.977 -16.499 1.915 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -8.865 -16.802 2.727 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -6.996 -15.698 2.158 1.00 0.00 O ATOM 0 H GLU A 63 -4.823 -19.249 -0.967 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.675 -17.056 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.096 -19.010 0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.140 -17.976 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.014 -16.286 -0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.908 -17.671 0.362 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.486 -15.296 -0.093 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.641 -14.191 0.327 1.00 0.00 C ATOM 1029 C ALA A 64 -5.440 -13.264 1.244 1.00 0.00 C ATOM 1030 O ALA A 64 -6.594 -12.945 0.959 1.00 0.00 O ATOM 1031 CB ALA A 64 -4.098 -13.464 -0.906 1.00 0.00 C ATOM 0 H ALA A 64 -6.488 -15.121 -0.013 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.784 -14.558 0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.464 -12.635 -0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.513 -14.158 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.929 -13.080 -1.497 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.796 -12.856 2.328 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.433 -11.971 3.289 1.00 0.00 C ATOM 1039 C GLU A 65 -4.586 -10.715 3.497 1.00 0.00 C ATOM 1040 O GLU A 65 -3.358 -10.788 3.529 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.680 -12.692 4.617 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.619 -11.882 5.513 1.00 0.00 C ATOM 1043 CD GLU A 65 -6.247 -12.046 6.988 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -5.209 -11.530 7.426 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -7.081 -12.739 7.686 1.00 0.00 O ATOM 0 H GLU A 65 -3.840 -13.122 2.562 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.402 -11.670 2.890 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.111 -13.675 4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.732 -12.853 5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.571 -10.829 5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.648 -12.207 5.355 1.00 0.00 H new ATOM 1053 N GLY A 66 -5.274 -9.591 3.633 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.600 -8.320 3.837 1.00 0.00 C ATOM 1055 C GLY A 66 -5.545 -7.293 4.465 1.00 0.00 C ATOM 1056 O GLY A 66 -6.763 -7.456 4.418 1.00 0.00 O ATOM 0 H GLY A 66 -6.292 -9.534 3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.733 -8.463 4.482 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.230 -7.943 2.884 1.00 0.00 H new ATOM 1060 N TYR A 67 -4.946 -6.260 5.038 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.719 -5.206 5.675 1.00 0.00 C ATOM 1062 C TYR A 67 -5.722 -3.936 4.822 1.00 0.00 C ATOM 1063 O TYR A 67 -4.674 -3.501 4.348 1.00 0.00 O ATOM 1064 CB TYR A 67 -5.017 -4.914 7.003 1.00 0.00 C ATOM 1065 CG TYR A 67 -5.973 -4.580 8.151 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -7.076 -3.782 7.922 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -5.732 -5.077 9.415 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -7.975 -3.469 9.001 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -6.631 -4.764 10.496 1.00 0.00 C ATOM 1070 CZ TYR A 67 -7.708 -3.975 10.235 1.00 0.00 C ATOM 1071 OH TYR A 67 -8.558 -3.679 11.256 1.00 0.00 O ATOM 0 H TYR A 67 -3.935 -6.130 5.075 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.755 -5.516 5.809 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.417 -5.780 7.283 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.328 -4.081 6.863 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.264 -3.392 6.932 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.869 -5.701 9.594 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.842 -2.847 8.835 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.454 -5.147 11.490 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.243 -4.109 12.079 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.911 -3.377 4.653 1.00 0.00 N ATOM 1082 CA ALA A 68 -7.064 -2.166 3.866 1.00 0.00 C ATOM 1083 C ALA A 68 -7.252 -0.972 4.805 1.00 0.00 C ATOM 1084 O ALA A 68 -8.152 -0.974 5.644 1.00 0.00 O ATOM 1085 CB ALA A 68 -8.233 -2.333 2.893 1.00 0.00 C ATOM 0 H ALA A 68 -7.778 -3.741 5.048 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.170 -1.980 3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.348 -1.424 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.036 -3.175 2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.149 -2.519 3.453 1.00 0.00 H new ATOM 1091 N LYS A 69 -6.389 0.018 4.633 1.00 0.00 N ATOM 1092 CA LYS A 69 -6.450 1.214 5.455 1.00 0.00 C ATOM 1093 C LYS A 69 -6.571 2.443 4.551 1.00 0.00 C ATOM 1094 O LYS A 69 -6.057 2.449 3.434 1.00 0.00 O ATOM 1095 CB LYS A 69 -5.256 1.269 6.411 1.00 0.00 C ATOM 1096 CG LYS A 69 -5.346 2.489 7.330 1.00 0.00 C ATOM 1097 CD LYS A 69 -4.347 3.568 6.907 1.00 0.00 C ATOM 1098 CE LYS A 69 -3.000 3.374 7.608 1.00 0.00 C ATOM 1099 NZ LYS A 69 -2.588 4.621 8.292 1.00 0.00 N ATOM 0 H LYS A 69 -5.644 0.016 3.937 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.336 1.195 6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.223 0.359 7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.329 1.308 5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.357 2.894 7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.149 2.189 8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.207 3.535 5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.747 4.553 7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.073 2.562 8.332 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.243 3.084 6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.698 4.458 8.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.449 5.374 7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.327 4.908 8.965 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.252 3.454 5.069 1.00 0.00 N ATOM 1113 CA ILE A 70 -7.447 4.686 4.322 1.00 0.00 C ATOM 1114 C ILE A 70 -7.274 5.880 5.264 1.00 0.00 C ATOM 1115 O ILE A 70 -7.721 5.842 6.409 1.00 0.00 O ATOM 1116 CB ILE A 70 -8.794 4.664 3.596 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -8.843 3.536 2.565 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -9.100 6.027 2.971 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -10.287 3.137 2.256 1.00 0.00 C ATOM 0 H ILE A 70 -7.676 3.446 5.997 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.692 4.783 3.541 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.575 4.462 4.329 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.346 3.854 1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.296 2.671 2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.062 5.986 2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.136 6.786 3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.320 6.282 2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.293 2.333 1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.774 2.796 3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.825 3.997 1.858 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.624 6.911 4.745 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.386 8.114 5.524 1.00 0.00 C ATOM 1133 C TYR A 71 -7.396 9.208 5.167 1.00 0.00 C ATOM 1134 O TYR A 71 -7.749 9.374 4.001 1.00 0.00 O ATOM 1135 CB TYR A 71 -4.982 8.590 5.148 1.00 0.00 C ATOM 1136 CG TYR A 71 -4.060 7.476 4.649 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -3.582 6.529 5.532 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -3.705 7.418 3.317 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -2.715 5.480 5.064 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -2.837 6.368 2.849 1.00 0.00 C ATOM 1141 CZ TYR A 71 -2.384 5.452 3.745 1.00 0.00 C ATOM 1142 OH TYR A 71 -1.565 4.461 3.303 1.00 0.00 O ATOM 0 H TYR A 71 -6.255 6.938 3.795 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.485 7.907 6.589 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.063 9.354 4.375 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.525 9.064 6.017 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.859 6.575 6.575 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.078 8.159 2.626 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.336 4.732 5.745 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.552 6.310 1.809 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.415 4.566 2.340 1.00 0.00 H new ATOM 1152 N ASN A 72 -7.831 9.924 6.193 1.00 0.00 N ATOM 1153 CA ASN A 72 -8.792 10.997 6.002 1.00 0.00 C ATOM 1154 C ASN A 72 -8.148 12.113 5.178 1.00 0.00 C ATOM 1155 O ASN A 72 -8.804 12.728 4.339 1.00 0.00 O ATOM 1156 CB ASN A 72 -9.230 11.590 7.343 1.00 0.00 C ATOM 1157 CG ASN A 72 -10.657 11.164 7.692 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -11.537 11.101 6.850 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -10.835 10.875 8.978 1.00 0.00 N ATOM 0 H ASN A 72 -7.536 9.782 7.159 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.661 10.584 5.490 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.548 11.265 8.128 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.172 12.678 7.300 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.752 10.579 9.312 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.054 10.949 9.630 1.00 0.00 H new ATOM 1166 N ASP A 73 -6.871 12.341 5.447 1.00 0.00 N ATOM 1167 CA ASP A 73 -6.130 13.373 4.740 1.00 0.00 C ATOM 1168 C ASP A 73 -4.630 13.137 4.929 1.00 0.00 C ATOM 1169 O ASP A 73 -4.175 12.872 6.040 1.00 0.00 O ATOM 1170 CB ASP A 73 -6.463 14.762 5.289 1.00 0.00 C ATOM 1171 CG ASP A 73 -6.724 14.818 6.794 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -5.967 14.250 7.596 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -7.771 15.488 7.142 1.00 0.00 O ATOM 0 H ASP A 73 -6.330 11.829 6.144 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.405 13.325 3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.639 15.436 5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.343 15.140 4.769 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.904 13.243 3.826 1.00 0.00 N ATOM 1180 CA GLU A 74 -2.465 13.046 3.855 1.00 0.00 C ATOM 1181 C GLU A 74 -1.813 14.034 4.825 1.00 0.00 C ATOM 1182 O GLU A 74 -0.685 13.821 5.267 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.865 13.175 2.454 1.00 0.00 C ATOM 1184 CG GLU A 74 -2.649 12.337 1.442 1.00 0.00 C ATOM 1185 CD GLU A 74 -3.362 13.232 0.425 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -4.175 14.083 0.812 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -3.042 13.018 -0.806 1.00 0.00 O ATOM 0 H GLU A 74 -4.286 13.463 2.906 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.264 12.035 4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.870 14.221 2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.824 12.853 2.469 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.971 11.659 0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.380 11.720 1.964 1.00 0.00 H new ATOM 1195 N LYS A 75 -2.551 15.091 5.126 1.00 0.00 N ATOM 1196 CA LYS A 75 -2.059 16.112 6.035 1.00 0.00 C ATOM 1197 C LYS A 75 -1.699 15.467 7.375 1.00 0.00 C ATOM 1198 O LYS A 75 -0.653 15.764 7.950 1.00 0.00 O ATOM 1199 CB LYS A 75 -3.069 17.255 6.155 1.00 0.00 C ATOM 1200 CG LYS A 75 -4.358 16.780 6.828 1.00 0.00 C ATOM 1201 CD LYS A 75 -4.311 17.026 8.337 1.00 0.00 C ATOM 1202 CE LYS A 75 -5.711 17.293 8.893 1.00 0.00 C ATOM 1203 NZ LYS A 75 -5.684 18.426 9.845 1.00 0.00 N ATOM 0 H LYS A 75 -3.486 15.263 4.757 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.147 16.562 5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.633 18.071 6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.296 17.650 5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.212 17.303 6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.504 15.717 6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.876 16.160 8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.663 17.876 8.550 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.397 17.514 8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.087 16.400 9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.642 18.593 10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.045 18.201 10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.346 19.281 9.358 1.00 0.00 H new ATOM 1216 N ALA A 76 -2.586 14.596 7.833 1.00 0.00 N ATOM 1217 CA ALA A 76 -2.376 13.907 9.093 1.00 0.00 C ATOM 1218 C ALA A 76 -1.429 12.725 8.872 1.00 0.00 C ATOM 1219 O ALA A 76 -0.411 12.605 9.551 1.00 0.00 O ATOM 1220 CB ALA A 76 -3.725 13.472 9.670 1.00 0.00 C ATOM 0 H ALA A 76 -3.452 14.352 7.353 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.910 14.572 9.820 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.566 12.955 10.616 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.349 14.350 9.837 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.221 12.801 8.969 1.00 0.00 H new ATOM 1226 N MET A 77 -1.798 11.883 7.918 1.00 0.00 N ATOM 1227 CA MET A 77 -0.995 10.715 7.598 1.00 0.00 C ATOM 1228 C MET A 77 0.469 11.102 7.376 1.00 0.00 C ATOM 1229 O MET A 77 1.373 10.429 7.867 1.00 0.00 O ATOM 1230 CB MET A 77 -1.545 10.047 6.336 1.00 0.00 C ATOM 1231 CG MET A 77 -0.414 9.464 5.487 1.00 0.00 C ATOM 1232 SD MET A 77 -1.065 8.247 4.356 1.00 0.00 S ATOM 1233 CE MET A 77 -0.469 8.911 2.810 1.00 0.00 C ATOM 0 H MET A 77 -2.643 11.986 7.356 1.00 0.00 H new ATOM 0 HA MET A 77 -1.045 10.021 8.437 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.241 9.256 6.613 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.106 10.775 5.750 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.082 10.260 4.932 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.338 9.008 6.131 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.315 8.098 2.100 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.202 9.610 2.408 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.475 9.430 2.977 1.00 0.00 H new ATOM 1243 N ALA A 78 0.655 12.183 6.633 1.00 0.00 N ATOM 1244 CA ALA A 78 1.993 12.667 6.339 1.00 0.00 C ATOM 1245 C ALA A 78 2.777 12.810 7.645 1.00 0.00 C ATOM 1246 O ALA A 78 3.996 12.636 7.664 1.00 0.00 O ATOM 1247 CB ALA A 78 1.902 13.983 5.565 1.00 0.00 C ATOM 0 H ALA A 78 -0.098 12.737 6.226 1.00 0.00 H new ATOM 0 HA ALA A 78 2.529 11.956 5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.906 14.346 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.362 13.820 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.373 14.723 6.166 1.00 0.00 H new ATOM 1253 N THR A 79 2.048 13.127 8.705 1.00 0.00 N ATOM 1254 CA THR A 79 2.660 13.296 10.011 1.00 0.00 C ATOM 1255 C THR A 79 2.461 12.038 10.860 1.00 0.00 C ATOM 1256 O THR A 79 3.424 11.348 11.188 1.00 0.00 O ATOM 1257 CB THR A 79 2.075 14.558 10.647 1.00 0.00 C ATOM 1258 OG1 THR A 79 2.701 15.626 9.942 1.00 0.00 O ATOM 1259 CG2 THR A 79 2.532 14.750 12.095 1.00 0.00 C ATOM 0 H THR A 79 1.038 13.271 8.685 1.00 0.00 H new ATOM 0 HA THR A 79 3.739 13.427 9.929 1.00 0.00 H new ATOM 0 HB THR A 79 0.987 14.509 10.613 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.377 16.483 10.291 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.088 15.660 12.499 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.215 13.895 12.693 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.619 14.832 12.126 1.00 0.00 H new ATOM 1267 N ILE A 80 1.205 11.781 11.192 1.00 0.00 N ATOM 1268 CA ILE A 80 0.867 10.618 11.996 1.00 0.00 C ATOM 1269 C ILE A 80 1.592 9.391 11.442 1.00 0.00 C ATOM 1270 O ILE A 80 2.610 8.968 11.987 1.00 0.00 O ATOM 1271 CB ILE A 80 -0.652 10.449 12.082 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -1.272 11.515 12.986 1.00 0.00 C ATOM 1273 CG2 ILE A 80 -1.021 9.033 12.528 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -2.783 11.311 13.118 1.00 0.00 C ATOM 0 H ILE A 80 0.409 12.357 10.919 1.00 0.00 H new ATOM 0 HA ILE A 80 1.208 10.753 13.022 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.069 10.591 11.085 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.809 11.475 13.972 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.069 12.505 12.578 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.106 8.939 12.581 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.629 8.312 11.811 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.591 8.837 13.511 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.199 12.082 13.766 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.246 11.376 12.133 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.981 10.330 13.549 1.00 0.00 H new ATOM 1286 N GLU A 81 1.041 8.854 10.363 1.00 0.00 N ATOM 1287 CA GLU A 81 1.623 7.685 9.728 1.00 0.00 C ATOM 1288 C GLU A 81 3.138 7.850 9.595 1.00 0.00 C ATOM 1289 O GLU A 81 3.639 8.972 9.529 1.00 0.00 O ATOM 1290 CB GLU A 81 0.978 7.422 8.365 1.00 0.00 C ATOM 1291 CG GLU A 81 -0.128 6.371 8.474 1.00 0.00 C ATOM 1292 CD GLU A 81 -1.470 7.021 8.820 1.00 0.00 C ATOM 1293 OE1 GLU A 81 -2.275 7.297 7.918 1.00 0.00 O ATOM 1294 OE2 GLU A 81 -1.664 7.238 10.076 1.00 0.00 O ATOM 0 H GLU A 81 0.197 9.208 9.913 1.00 0.00 H new ATOM 0 HA GLU A 81 1.426 6.819 10.359 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.565 8.350 7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.737 7.084 7.659 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.214 5.830 7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.134 5.640 9.239 1.00 0.00 H new ATOM 1302 N THR A 82 3.824 6.718 9.561 1.00 0.00 N ATOM 1303 CA THR A 82 5.272 6.724 9.436 1.00 0.00 C ATOM 1304 C THR A 82 5.691 6.228 8.052 1.00 0.00 C ATOM 1305 O THR A 82 4.867 5.714 7.297 1.00 0.00 O ATOM 1306 CB THR A 82 5.848 5.888 10.582 1.00 0.00 C ATOM 1307 OG1 THR A 82 5.012 4.735 10.625 1.00 0.00 O ATOM 1308 CG2 THR A 82 5.645 6.547 11.948 1.00 0.00 C ATOM 0 H THR A 82 3.405 5.790 9.618 1.00 0.00 H new ATOM 0 HA THR A 82 5.672 7.735 9.518 1.00 0.00 H new ATOM 0 HB THR A 82 6.912 5.725 10.413 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.316 4.137 11.340 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.072 5.913 12.725 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.139 7.518 11.960 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.579 6.680 12.133 1.00 0.00 H new ATOM 1316 N LYS A 83 6.972 6.399 7.759 1.00 0.00 N ATOM 1317 CA LYS A 83 7.511 5.975 6.478 1.00 0.00 C ATOM 1318 C LYS A 83 7.140 4.511 6.233 1.00 0.00 C ATOM 1319 O LYS A 83 7.088 4.063 5.089 1.00 0.00 O ATOM 1320 CB LYS A 83 9.016 6.248 6.413 1.00 0.00 C ATOM 1321 CG LYS A 83 9.794 5.222 7.238 1.00 0.00 C ATOM 1322 CD LYS A 83 10.162 5.789 8.611 1.00 0.00 C ATOM 1323 CE LYS A 83 11.612 6.274 8.633 1.00 0.00 C ATOM 1324 NZ LYS A 83 12.412 5.475 9.588 1.00 0.00 N ATOM 0 H LYS A 83 7.653 6.826 8.387 1.00 0.00 H new ATOM 0 HA LYS A 83 7.070 6.556 5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.351 6.216 5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.224 7.252 6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.195 4.320 7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.700 4.933 6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.495 6.615 8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.019 5.024 9.374 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.043 6.196 7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.645 7.327 8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.394 5.818 9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.010 5.570 10.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.395 4.475 9.303 1.00 0.00 H new ATOM 1337 N SER A 84 6.892 3.806 7.327 1.00 0.00 N ATOM 1338 CA SER A 84 6.528 2.402 7.245 1.00 0.00 C ATOM 1339 C SER A 84 5.225 2.244 6.460 1.00 0.00 C ATOM 1340 O SER A 84 5.106 1.355 5.618 1.00 0.00 O ATOM 1341 CB SER A 84 6.384 1.788 8.639 1.00 0.00 C ATOM 1342 OG SER A 84 7.024 0.518 8.731 1.00 0.00 O ATOM 0 H SER A 84 6.936 4.181 8.275 1.00 0.00 H new ATOM 0 HA SER A 84 7.326 1.872 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.812 2.464 9.379 1.00 0.00 H new ATOM 0 HB3 SER A 84 5.327 1.680 8.880 1.00 0.00 H new ATOM 0 HG SER A 84 6.911 0.160 9.636 1.00 0.00 H new ATOM 1348 N VAL A 85 4.278 3.122 6.762 1.00 0.00 N ATOM 1349 CA VAL A 85 2.988 3.091 6.095 1.00 0.00 C ATOM 1350 C VAL A 85 3.142 3.627 4.671 1.00 0.00 C ATOM 1351 O VAL A 85 2.724 2.983 3.711 1.00 0.00 O ATOM 1352 CB VAL A 85 1.955 3.865 6.917 1.00 0.00 C ATOM 1353 CG1 VAL A 85 0.694 4.139 6.094 1.00 0.00 C ATOM 1354 CG2 VAL A 85 1.615 3.121 8.210 1.00 0.00 C ATOM 0 H VAL A 85 4.379 3.859 7.460 1.00 0.00 H new ATOM 0 HA VAL A 85 2.622 2.067 6.019 1.00 0.00 H new ATOM 0 HB VAL A 85 2.393 4.825 7.188 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.024 4.690 6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.954 4.729 5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.253 3.193 5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.879 3.692 8.776 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.206 2.140 7.968 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.518 3.000 8.808 1.00 0.00 H new ATOM 1364 N LEU A 86 3.746 4.804 4.578 1.00 0.00 N ATOM 1365 CA LEU A 86 3.960 5.435 3.287 1.00 0.00 C ATOM 1366 C LEU A 86 4.859 4.540 2.431 1.00 0.00 C ATOM 1367 O LEU A 86 4.838 4.628 1.204 1.00 0.00 O ATOM 1368 CB LEU A 86 4.499 6.856 3.469 1.00 0.00 C ATOM 1369 CG LEU A 86 3.455 7.939 3.745 1.00 0.00 C ATOM 1370 CD1 LEU A 86 2.143 7.323 4.236 1.00 0.00 C ATOM 1371 CD2 LEU A 86 3.997 8.986 4.720 1.00 0.00 C ATOM 0 H LEU A 86 4.093 5.336 5.376 1.00 0.00 H new ATOM 0 HA LEU A 86 3.016 5.543 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.213 6.850 4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.051 7.132 2.570 1.00 0.00 H new ATOM 0 HG LEU A 86 3.239 8.453 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.418 8.114 4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.752 6.646 3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.323 6.769 5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.235 9.745 4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.259 8.505 5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.884 9.456 4.294 1.00 0.00 H new ATOM 1383 N GLU A 87 5.626 3.702 3.110 1.00 0.00 N ATOM 1384 CA GLU A 87 6.530 2.792 2.428 1.00 0.00 C ATOM 1385 C GLU A 87 5.756 1.917 1.439 1.00 0.00 C ATOM 1386 O GLU A 87 6.140 1.798 0.277 1.00 0.00 O ATOM 1387 CB GLU A 87 7.306 1.935 3.429 1.00 0.00 C ATOM 1388 CG GLU A 87 8.760 2.399 3.538 1.00 0.00 C ATOM 1389 CD GLU A 87 9.719 1.320 3.030 1.00 0.00 C ATOM 1390 OE1 GLU A 87 9.852 1.132 1.811 1.00 0.00 O ATOM 1391 OE2 GLU A 87 10.340 0.666 3.952 1.00 0.00 O ATOM 0 H GLU A 87 5.640 3.634 4.128 1.00 0.00 H new ATOM 0 HA GLU A 87 7.256 3.383 1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.829 1.991 4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.276 0.891 3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.898 3.314 2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.992 2.638 4.576 1.00 0.00 H new ATOM 1399 N LYS A 88 4.680 1.327 1.939 1.00 0.00 N ATOM 1400 CA LYS A 88 3.849 0.466 1.114 1.00 0.00 C ATOM 1401 C LYS A 88 3.521 1.185 -0.196 1.00 0.00 C ATOM 1402 O LYS A 88 3.938 0.748 -1.268 1.00 0.00 O ATOM 1403 CB LYS A 88 2.614 0.010 1.892 1.00 0.00 C ATOM 1404 CG LYS A 88 3.012 -0.754 3.157 1.00 0.00 C ATOM 1405 CD LYS A 88 2.579 0.003 4.414 1.00 0.00 C ATOM 1406 CE LYS A 88 1.100 0.387 4.340 1.00 0.00 C ATOM 1407 NZ LYS A 88 0.516 0.466 5.698 1.00 0.00 N ATOM 0 H LYS A 88 4.365 1.428 2.904 1.00 0.00 H new ATOM 0 HA LYS A 88 4.386 -0.445 0.851 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.010 0.876 2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.995 -0.626 1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.554 -1.743 3.148 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.092 -0.903 3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.754 -0.616 5.294 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.186 0.901 4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.992 1.347 3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.557 -0.348 3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.272 1.144 5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.166 -0.472 5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.244 0.781 6.371 1.00 0.00 H new ATOM 1420 N ASN A 89 2.776 2.273 -0.067 1.00 0.00 N ATOM 1421 CA ASN A 89 2.387 3.055 -1.227 1.00 0.00 C ATOM 1422 C ASN A 89 3.555 3.947 -1.651 1.00 0.00 C ATOM 1423 O ASN A 89 3.482 5.170 -1.532 1.00 0.00 O ATOM 1424 CB ASN A 89 1.194 3.958 -0.909 1.00 0.00 C ATOM 1425 CG ASN A 89 1.428 4.739 0.385 1.00 0.00 C ATOM 1426 OD1 ASN A 89 1.606 4.181 1.455 1.00 0.00 O ATOM 1427 ND2 ASN A 89 1.419 6.060 0.230 1.00 0.00 N ATOM 0 H ASN A 89 2.432 2.631 0.824 1.00 0.00 H new ATOM 0 HA ASN A 89 2.113 2.362 -2.023 1.00 0.00 H new ATOM 0 HB2 ASN A 89 1.029 4.653 -1.733 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.291 3.355 -0.816 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.567 6.669 1.035 1.00 0.00 H new ATOM 0 HD22 ASN A 89 1.264 6.464 -0.694 1.00 0.00 H new ATOM 1434 N LYS A 90 4.607 3.302 -2.134 1.00 0.00 N ATOM 1435 CA LYS A 90 5.790 4.023 -2.575 1.00 0.00 C ATOM 1436 C LYS A 90 5.472 4.767 -3.873 1.00 0.00 C ATOM 1437 O LYS A 90 4.611 4.344 -4.642 1.00 0.00 O ATOM 1438 CB LYS A 90 6.985 3.074 -2.686 1.00 0.00 C ATOM 1439 CG LYS A 90 8.135 3.533 -1.789 1.00 0.00 C ATOM 1440 CD LYS A 90 9.231 2.468 -1.714 1.00 0.00 C ATOM 1441 CE LYS A 90 10.042 2.423 -3.009 1.00 0.00 C ATOM 1442 NZ LYS A 90 11.480 2.231 -2.714 1.00 0.00 N ATOM 0 H LYS A 90 4.665 2.288 -2.230 1.00 0.00 H new ATOM 0 HA LYS A 90 6.077 4.774 -1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.680 2.066 -2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.323 3.028 -3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.553 4.463 -2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.758 3.743 -0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.892 2.680 -0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.782 1.492 -1.528 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.683 1.611 -3.642 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.900 3.349 -3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.016 2.203 -3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.823 3.019 -2.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.613 1.336 -2.201 1.00 0.00 H new ATOM 1455 N ILE A 91 6.187 5.864 -4.078 1.00 0.00 N ATOM 1456 CA ILE A 91 5.993 6.672 -5.269 1.00 0.00 C ATOM 1457 C ILE A 91 5.794 5.754 -6.477 1.00 0.00 C ATOM 1458 O ILE A 91 4.665 5.535 -6.915 1.00 0.00 O ATOM 1459 CB ILE A 91 7.144 7.666 -5.437 1.00 0.00 C ATOM 1460 CG1 ILE A 91 7.235 8.608 -4.235 1.00 0.00 C ATOM 1461 CG2 ILE A 91 7.023 8.431 -6.757 1.00 0.00 C ATOM 1462 CD1 ILE A 91 8.632 8.568 -3.612 1.00 0.00 C ATOM 0 H ILE A 91 6.902 6.212 -3.439 1.00 0.00 H new ATOM 0 HA ILE A 91 5.091 7.277 -5.175 1.00 0.00 H new ATOM 0 HB ILE A 91 8.077 7.103 -5.477 1.00 0.00 H new ATOM 0 HG12 ILE A 91 7.001 9.626 -4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.492 8.325 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.854 9.130 -6.850 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.046 7.727 -7.589 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.082 8.981 -6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.670 9.246 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.853 7.554 -3.279 1.00 0.00 H new ATOM 0 HD13 ILE A 91 9.370 8.875 -4.353 1.00 0.00 H new ATOM 1474 N GLU A 92 6.906 5.240 -6.980 1.00 0.00 N ATOM 1475 CA GLU A 92 6.868 4.351 -8.128 1.00 0.00 C ATOM 1476 C GLU A 92 6.700 2.900 -7.669 1.00 0.00 C ATOM 1477 O GLU A 92 6.534 2.637 -6.479 1.00 0.00 O ATOM 1478 CB GLU A 92 8.122 4.512 -8.989 1.00 0.00 C ATOM 1479 CG GLU A 92 7.759 4.600 -10.474 1.00 0.00 C ATOM 1480 CD GLU A 92 7.864 6.040 -10.979 1.00 0.00 C ATOM 1481 OE1 GLU A 92 8.971 6.521 -11.260 1.00 0.00 O ATOM 1482 OE2 GLU A 92 6.739 6.666 -11.076 1.00 0.00 O ATOM 0 H GLU A 92 7.840 5.422 -6.613 1.00 0.00 H new ATOM 0 HA GLU A 92 6.009 4.620 -8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.661 5.411 -8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.792 3.668 -8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.423 3.958 -11.053 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.745 4.230 -10.627 1.00 0.00 H new ATOM 1490 N GLU A 93 6.751 1.997 -8.638 1.00 0.00 N ATOM 1491 CA GLU A 93 6.608 0.581 -8.349 1.00 0.00 C ATOM 1492 C GLU A 93 7.887 -0.170 -8.726 1.00 0.00 C ATOM 1493 O GLU A 93 8.821 0.420 -9.266 1.00 0.00 O ATOM 1494 CB GLU A 93 5.394 -0.006 -9.071 1.00 0.00 C ATOM 1495 CG GLU A 93 5.484 0.235 -10.579 1.00 0.00 C ATOM 1496 CD GLU A 93 4.799 -0.891 -11.357 1.00 0.00 C ATOM 1497 OE1 GLU A 93 3.584 -1.094 -11.213 1.00 0.00 O ATOM 1498 OE2 GLU A 93 5.575 -1.568 -12.133 1.00 0.00 O ATOM 0 H GLU A 93 6.889 2.219 -9.624 1.00 0.00 H new ATOM 0 HA GLU A 93 6.444 0.464 -7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.331 -1.076 -8.873 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.481 0.445 -8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.018 1.189 -10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.530 0.304 -10.878 1.00 0.00 H new ATOM 1506 N GLU A 94 7.887 -1.461 -8.426 1.00 0.00 N ATOM 1507 CA GLU A 94 9.035 -2.299 -8.727 1.00 0.00 C ATOM 1508 C GLU A 94 8.800 -3.075 -10.025 1.00 0.00 C ATOM 1509 O GLU A 94 7.884 -2.761 -10.783 1.00 0.00 O ATOM 1510 CB GLU A 94 9.340 -3.249 -7.568 1.00 0.00 C ATOM 1511 CG GLU A 94 8.218 -4.274 -7.389 1.00 0.00 C ATOM 1512 CD GLU A 94 8.463 -5.147 -6.157 1.00 0.00 C ATOM 1513 OE1 GLU A 94 8.664 -4.620 -5.053 1.00 0.00 O ATOM 1514 OE2 GLU A 94 8.442 -6.418 -6.377 1.00 0.00 O ATOM 0 H GLU A 94 7.110 -1.947 -7.978 1.00 0.00 H new ATOM 0 HA GLU A 94 9.904 -1.655 -8.863 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.282 -3.765 -7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.466 -2.678 -6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.263 -3.759 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.150 -4.903 -8.277 1.00 0.00 H new ATOM 1522 N ALA A 95 9.645 -4.073 -10.241 1.00 0.00 N ATOM 1523 CA ALA A 95 9.540 -4.896 -11.433 1.00 0.00 C ATOM 1524 C ALA A 95 10.756 -5.821 -11.517 1.00 0.00 C ATOM 1525 O ALA A 95 11.574 -5.697 -12.428 1.00 0.00 O ATOM 1526 CB ALA A 95 9.405 -3.998 -12.664 1.00 0.00 C ATOM 0 H ALA A 95 10.405 -4.330 -9.611 1.00 0.00 H new ATOM 0 HA ALA A 95 8.650 -5.524 -11.389 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.326 -4.616 -13.558 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.511 -3.382 -12.569 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.282 -3.355 -12.743 1.00 0.00 H new ATOM 1532 N GLU A 96 10.838 -6.728 -10.555 1.00 0.00 N ATOM 1533 CA GLU A 96 11.941 -7.673 -10.509 1.00 0.00 C ATOM 1534 C GLU A 96 11.920 -8.574 -11.745 1.00 0.00 C ATOM 1535 O GLU A 96 12.870 -8.583 -12.527 1.00 0.00 O ATOM 1536 CB GLU A 96 11.897 -8.504 -9.224 1.00 0.00 C ATOM 1537 CG GLU A 96 11.973 -7.606 -7.988 1.00 0.00 C ATOM 1538 CD GLU A 96 11.921 -8.436 -6.704 1.00 0.00 C ATOM 1539 OE1 GLU A 96 12.897 -9.126 -6.372 1.00 0.00 O ATOM 1540 OE2 GLU A 96 10.818 -8.346 -6.041 1.00 0.00 O ATOM 0 H GLU A 96 10.158 -6.829 -9.801 1.00 0.00 H new ATOM 0 HA GLU A 96 12.875 -7.112 -10.509 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.978 -9.090 -9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.726 -9.211 -9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.895 -7.025 -8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.147 -6.895 -7.999 1.00 0.00 H new ATOM 1548 N ALA A 97 10.826 -9.309 -11.885 1.00 0.00 N ATOM 1549 CA ALA A 97 10.669 -10.211 -13.013 1.00 0.00 C ATOM 1550 C ALA A 97 11.755 -11.287 -12.956 1.00 0.00 C ATOM 1551 O ALA A 97 12.944 -10.972 -12.901 1.00 0.00 O ATOM 1552 CB ALA A 97 10.711 -9.410 -14.316 1.00 0.00 C ATOM 0 H ALA A 97 10.040 -9.298 -11.235 1.00 0.00 H new ATOM 0 HA ALA A 97 9.703 -10.715 -12.970 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.593 -10.086 -15.163 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.902 -8.679 -14.320 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.667 -8.893 -14.395 1.00 0.00 H new ATOM 1558 N GLU A 98 11.309 -12.534 -12.969 1.00 0.00 N ATOM 1559 CA GLU A 98 12.227 -13.658 -12.918 1.00 0.00 C ATOM 1560 C GLU A 98 11.487 -14.964 -13.215 1.00 0.00 C ATOM 1561 O GLU A 98 11.656 -15.550 -14.283 1.00 0.00 O ATOM 1562 CB GLU A 98 12.937 -13.727 -11.564 1.00 0.00 C ATOM 1563 CG GLU A 98 14.318 -14.369 -11.701 1.00 0.00 C ATOM 1564 CD GLU A 98 15.013 -14.471 -10.341 1.00 0.00 C ATOM 1565 OE1 GLU A 98 16.162 -14.027 -10.197 1.00 0.00 O ATOM 1566 OE2 GLU A 98 14.315 -15.035 -9.414 1.00 0.00 O ATOM 0 H GLU A 98 10.323 -12.791 -13.014 1.00 0.00 H new ATOM 0 HA GLU A 98 12.989 -13.512 -13.684 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.038 -12.723 -11.151 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.333 -14.302 -10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.219 -15.363 -12.138 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.931 -13.780 -12.383 1.00 0.00 H new ATOM 1574 N VAL A 99 10.678 -15.380 -12.251 1.00 0.00 N ATOM 1575 CA VAL A 99 9.910 -16.605 -12.396 1.00 0.00 C ATOM 1576 C VAL A 99 8.499 -16.385 -11.847 1.00 0.00 C ATOM 1577 O VAL A 99 8.241 -15.394 -11.167 1.00 0.00 O ATOM 1578 CB VAL A 99 10.642 -17.766 -11.717 1.00 0.00 C ATOM 1579 CG1 VAL A 99 11.961 -18.074 -12.429 1.00 0.00 C ATOM 1580 CG2 VAL A 99 10.875 -17.473 -10.233 1.00 0.00 C ATOM 0 H VAL A 99 10.538 -14.891 -11.367 1.00 0.00 H new ATOM 0 HA VAL A 99 9.812 -16.872 -13.448 1.00 0.00 H new ATOM 0 HB VAL A 99 10.009 -18.650 -11.789 1.00 0.00 H new ATOM 0 HG11 VAL A 99 12.461 -18.902 -11.927 1.00 0.00 H new ATOM 0 HG12 VAL A 99 11.760 -18.346 -13.465 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.603 -17.193 -12.403 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.396 -18.313 -9.774 1.00 0.00 H new ATOM 0 HG22 VAL A 99 11.479 -16.571 -10.131 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.916 -17.326 -9.736 1.00 0.00 H new ATOM 1590 N ALA A 100 7.622 -17.327 -12.162 1.00 0.00 N ATOM 1591 CA ALA A 100 6.244 -17.249 -11.709 1.00 0.00 C ATOM 1592 C ALA A 100 6.206 -17.360 -10.184 1.00 0.00 C ATOM 1593 O ALA A 100 6.472 -18.425 -9.629 1.00 0.00 O ATOM 1594 CB ALA A 100 5.418 -18.340 -12.394 1.00 0.00 C ATOM 0 H ALA A 100 7.839 -18.149 -12.726 1.00 0.00 H new ATOM 0 HA ALA A 100 5.805 -16.289 -11.981 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.384 -18.281 -12.054 1.00 0.00 H new ATOM 0 HB2 ALA A 100 5.453 -18.199 -13.474 1.00 0.00 H new ATOM 0 HB3 ALA A 100 5.828 -19.318 -12.143 1.00 0.00 H new ATOM 1600 N GLU A 101 5.874 -16.245 -9.550 1.00 0.00 N ATOM 1601 CA GLU A 101 5.799 -16.203 -8.099 1.00 0.00 C ATOM 1602 C GLU A 101 5.158 -17.486 -7.565 1.00 0.00 C ATOM 1603 O GLU A 101 4.395 -18.144 -8.270 1.00 0.00 O ATOM 1604 CB GLU A 101 5.030 -14.969 -7.626 1.00 0.00 C ATOM 1605 CG GLU A 101 5.249 -14.725 -6.131 1.00 0.00 C ATOM 1606 CD GLU A 101 5.040 -13.252 -5.778 1.00 0.00 C ATOM 1607 OE1 GLU A 101 6.001 -12.561 -5.407 1.00 0.00 O ATOM 1608 OE2 GLU A 101 3.828 -12.828 -5.903 1.00 0.00 O ATOM 0 H GLU A 101 5.654 -15.364 -10.014 1.00 0.00 H new ATOM 0 HA GLU A 101 6.812 -16.133 -7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 101 5.354 -14.095 -8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.966 -15.101 -7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 101 4.560 -15.342 -5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.258 -15.029 -5.854 1.00 0.00 H new ATOM 1616 N GLU A 102 5.492 -17.802 -6.322 1.00 0.00 N ATOM 1617 CA GLU A 102 4.959 -18.994 -5.684 1.00 0.00 C ATOM 1618 C GLU A 102 4.895 -20.149 -6.687 1.00 0.00 C ATOM 1619 O GLU A 102 5.913 -20.767 -6.992 1.00 0.00 O ATOM 1620 CB GLU A 102 3.582 -18.721 -5.075 1.00 0.00 C ATOM 1621 CG GLU A 102 3.713 -18.086 -3.689 1.00 0.00 C ATOM 1622 CD GLU A 102 3.381 -19.096 -2.589 1.00 0.00 C ATOM 1623 OE1 GLU A 102 4.097 -20.095 -2.428 1.00 0.00 O ATOM 1624 OE2 GLU A 102 2.336 -18.814 -1.887 1.00 0.00 O ATOM 0 H GLU A 102 6.125 -17.253 -5.740 1.00 0.00 H new ATOM 0 HA GLU A 102 5.629 -19.279 -4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.015 -18.060 -5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.022 -19.653 -5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.728 -17.713 -3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.045 -17.228 -3.614 1.00 0.00 H new TER 1632 GLU A 102