USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 724 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 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= -0.118 K(o=-0.12,f=-0.77) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.134 X(o=0.13,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 142:sc= 0.201 (180deg=-0.576) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -5:sc= 0.96 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= -0.0586 (180deg=-0.739) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00109) USER MOD Single : A 44 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.3!) USER MOD Single : A 46 ASN : amide:sc= -0.921 K(o=-0.92,f=-2.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.269 K(o=-0.27,f=-2.8!) USER MOD Single : A 54 THR OG1 : rot 78:sc= 1.28 USER MOD Single : A 57 GLN : amide:sc= -0.0628 K(o=-0.063,f=-1.2) USER MOD Single : A 61 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.132) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 154:sc= 0.977 (180deg=0.239) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.693 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -131:sc= -0.335 (180deg=-3.34!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00339 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+ 157:sc= -1.65! (180deg=-3.2!) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 -11.919 -13.068 -5.703 1.00 0.00 N ATOM 19 CA ASP A 2 -13.030 -12.887 -4.786 1.00 0.00 C ATOM 20 C ASP A 2 -12.505 -12.338 -3.458 1.00 0.00 C ATOM 21 O ASP A 2 -11.611 -12.924 -2.849 1.00 0.00 O ATOM 22 CB ASP A 2 -13.733 -14.215 -4.503 1.00 0.00 C ATOM 23 CG ASP A 2 -14.932 -14.519 -5.405 1.00 0.00 C ATOM 24 OD1 ASP A 2 -15.995 -13.891 -5.285 1.00 0.00 O ATOM 25 OD2 ASP A 2 -14.740 -15.455 -6.270 1.00 0.00 O ATOM 0 HA ASP A 2 -13.737 -12.196 -5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.007 -15.022 -4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.068 -14.217 -3.466 1.00 0.00 H new ATOM 31 N ILE A 3 -13.083 -11.218 -3.047 1.00 0.00 N ATOM 32 CA ILE A 3 -12.685 -10.583 -1.802 1.00 0.00 C ATOM 33 C ILE A 3 -13.779 -10.795 -0.754 1.00 0.00 C ATOM 34 O ILE A 3 -14.966 -10.772 -1.076 1.00 0.00 O ATOM 35 CB ILE A 3 -12.336 -9.112 -2.039 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.823 -8.919 -2.151 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.950 -8.223 -0.955 1.00 0.00 C ATOM 38 CD1 ILE A 3 -10.488 -7.584 -2.820 1.00 0.00 C ATOM 0 H ILE A 3 -13.824 -10.734 -3.554 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.777 -11.043 -1.412 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.770 -8.806 -2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.374 -8.955 -1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.390 -9.737 -2.727 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.687 -7.182 -1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -14.035 -8.332 -0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -12.566 -8.521 0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.406 -7.472 -2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.918 -7.561 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.901 -6.767 -2.229 1.00 0.00 H new ATOM 50 N SER A 4 -13.341 -10.998 0.480 1.00 0.00 N ATOM 51 CA SER A 4 -14.268 -11.214 1.578 1.00 0.00 C ATOM 52 C SER A 4 -13.877 -10.341 2.772 1.00 0.00 C ATOM 53 O SER A 4 -12.736 -10.384 3.230 1.00 0.00 O ATOM 54 CB SER A 4 -14.303 -12.688 1.986 1.00 0.00 C ATOM 55 OG SER A 4 -15.636 -13.167 2.142 1.00 0.00 O ATOM 0 H SER A 4 -12.356 -11.017 0.744 1.00 0.00 H new ATOM 0 HA SER A 4 -15.267 -10.934 1.244 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.789 -13.285 1.233 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.759 -12.818 2.922 1.00 0.00 H new ATOM 0 HG SER A 4 -15.616 -14.112 2.401 1.00 0.00 H new ATOM 61 N ILE A 5 -14.846 -9.568 3.242 1.00 0.00 N ATOM 62 CA ILE A 5 -14.617 -8.686 4.373 1.00 0.00 C ATOM 63 C ILE A 5 -14.656 -9.503 5.667 1.00 0.00 C ATOM 64 O ILE A 5 -15.543 -10.334 5.853 1.00 0.00 O ATOM 65 CB ILE A 5 -15.608 -7.520 4.353 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.600 -6.819 2.994 1.00 0.00 C ATOM 67 CG2 ILE A 5 -15.335 -6.548 5.502 1.00 0.00 C ATOM 68 CD1 ILE A 5 -14.336 -5.973 2.821 1.00 0.00 C ATOM 0 H ILE A 5 -15.791 -9.535 2.860 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.627 -8.234 4.309 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.611 -7.920 4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.657 -7.561 2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -16.482 -6.185 2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -16.053 -5.729 5.464 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.432 -7.072 6.453 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.325 -6.149 5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -14.355 -5.485 1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -14.294 -5.216 3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.457 -6.614 2.889 1.00 0.00 H new ATOM 80 N ILE A 6 -13.682 -9.238 6.526 1.00 0.00 N ATOM 81 CA ILE A 6 -13.594 -9.938 7.796 1.00 0.00 C ATOM 82 C ILE A 6 -14.205 -9.068 8.896 1.00 0.00 C ATOM 83 O ILE A 6 -15.133 -9.491 9.584 1.00 0.00 O ATOM 84 CB ILE A 6 -12.151 -10.360 8.076 1.00 0.00 C ATOM 85 CG1 ILE A 6 -11.592 -11.203 6.928 1.00 0.00 C ATOM 86 CG2 ILE A 6 -12.041 -11.080 9.422 1.00 0.00 C ATOM 87 CD1 ILE A 6 -12.134 -12.633 6.985 1.00 0.00 C ATOM 0 H ILE A 6 -12.947 -8.548 6.367 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.171 -10.862 7.763 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.540 -9.460 8.141 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.858 -10.747 5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.503 -11.220 6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.005 -11.369 9.596 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.371 -10.414 10.219 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.669 -11.971 9.411 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.722 -13.212 6.158 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.846 -13.094 7.930 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.221 -12.613 6.907 1.00 0.00 H new ATOM 99 N SER A 7 -13.661 -7.868 9.028 1.00 0.00 N ATOM 100 CA SER A 7 -14.140 -6.934 10.034 1.00 0.00 C ATOM 101 C SER A 7 -14.168 -5.517 9.461 1.00 0.00 C ATOM 102 O SER A 7 -13.630 -5.268 8.382 1.00 0.00 O ATOM 103 CB SER A 7 -13.269 -6.982 11.291 1.00 0.00 C ATOM 104 OG SER A 7 -11.879 -6.987 10.977 1.00 0.00 O ATOM 0 H SER A 7 -12.892 -7.520 8.455 1.00 0.00 H new ATOM 0 HA SER A 7 -15.152 -7.225 10.316 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.495 -6.122 11.922 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.514 -7.874 11.868 1.00 0.00 H new ATOM 0 HG SER A 7 -11.357 -7.016 11.806 1.00 0.00 H new ATOM 110 N ASP A 8 -14.800 -4.623 10.207 1.00 0.00 N ATOM 111 CA ASP A 8 -14.905 -3.236 9.787 1.00 0.00 C ATOM 112 C ASP A 8 -14.574 -2.323 10.969 1.00 0.00 C ATOM 113 O ASP A 8 -15.406 -2.115 11.850 1.00 0.00 O ATOM 114 CB ASP A 8 -16.323 -2.908 9.319 1.00 0.00 C ATOM 115 CG ASP A 8 -17.427 -3.228 10.328 1.00 0.00 C ATOM 116 OD1 ASP A 8 -17.712 -2.435 11.238 1.00 0.00 O ATOM 117 OD2 ASP A 8 -18.015 -4.363 10.151 1.00 0.00 O ATOM 0 H ASP A 8 -15.245 -4.832 11.101 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.208 -3.080 8.963 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.372 -1.847 9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.522 -3.458 8.399 1.00 0.00 H new ATOM 123 N ARG A 9 -13.355 -1.801 10.950 1.00 0.00 N ATOM 124 CA ARG A 9 -12.904 -0.915 12.010 1.00 0.00 C ATOM 125 C ARG A 9 -12.819 0.525 11.497 1.00 0.00 C ATOM 126 O ARG A 9 -12.366 0.763 10.379 1.00 0.00 O ATOM 127 CB ARG A 9 -11.534 -1.342 12.540 1.00 0.00 C ATOM 128 CG ARG A 9 -11.674 -2.147 13.833 1.00 0.00 C ATOM 129 CD ARG A 9 -11.016 -1.417 15.006 1.00 0.00 C ATOM 130 NE ARG A 9 -10.429 -2.398 15.947 1.00 0.00 N ATOM 131 CZ ARG A 9 -11.135 -3.069 16.881 1.00 0.00 C ATOM 132 NH1 ARG A 9 -12.465 -2.869 17.008 1.00 0.00 N ATOM 133 NH2 ARG A 9 -10.507 -3.922 17.669 1.00 0.00 N ATOM 0 H ARG A 9 -12.667 -1.975 10.218 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.629 -0.974 12.822 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.020 -1.941 11.788 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.919 -0.460 12.721 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.729 -2.314 14.049 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.215 -3.128 13.707 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.241 -0.745 14.638 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.753 -0.802 15.522 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.427 -2.578 15.885 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.942 -2.207 16.396 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.992 -3.380 17.716 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.502 -4.066 17.567 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.026 -4.437 18.380 1.00 0.00 H new ATOM 146 N ASN A 10 -13.261 1.446 12.340 1.00 0.00 N ATOM 147 CA ASN A 10 -13.239 2.855 11.987 1.00 0.00 C ATOM 148 C ASN A 10 -12.505 3.639 13.077 1.00 0.00 C ATOM 149 O ASN A 10 -12.853 3.548 14.253 1.00 0.00 O ATOM 150 CB ASN A 10 -14.659 3.417 11.875 1.00 0.00 C ATOM 151 CG ASN A 10 -14.652 4.944 11.963 1.00 0.00 C ATOM 152 OD1 ASN A 10 -13.809 5.621 11.399 1.00 0.00 O ATOM 153 ND2 ASN A 10 -15.639 5.447 12.699 1.00 0.00 N ATOM 0 H ASN A 10 -13.637 1.244 13.267 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.735 2.954 11.026 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.104 3.106 10.930 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.281 3.006 12.671 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.723 6.457 12.818 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.312 4.823 13.144 1.00 0.00 H new ATOM 160 N ASN A 11 -11.504 4.392 12.646 1.00 0.00 N ATOM 161 CA ASN A 11 -10.718 5.192 13.570 1.00 0.00 C ATOM 162 C ASN A 11 -10.743 6.654 13.122 1.00 0.00 C ATOM 163 O ASN A 11 -9.909 7.077 12.324 1.00 0.00 O ATOM 164 CB ASN A 11 -9.259 4.730 13.595 1.00 0.00 C ATOM 165 CG ASN A 11 -9.112 3.421 14.373 1.00 0.00 C ATOM 166 OD1 ASN A 11 -8.772 3.400 15.545 1.00 0.00 O ATOM 167 ND2 ASN A 11 -9.386 2.333 13.659 1.00 0.00 N ATOM 0 H ASN A 11 -11.219 4.465 11.669 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.150 5.079 14.565 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.899 4.593 12.575 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.638 5.500 14.052 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.317 1.410 14.088 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.665 2.421 12.682 1.00 0.00 H new ATOM 174 N PRO A 12 -11.735 7.406 13.670 1.00 0.00 N ATOM 175 CA PRO A 12 -11.880 8.812 13.335 1.00 0.00 C ATOM 176 C PRO A 12 -10.810 9.655 14.031 1.00 0.00 C ATOM 177 O PRO A 12 -10.338 10.647 13.477 1.00 0.00 O ATOM 178 CB PRO A 12 -13.293 9.175 13.763 1.00 0.00 C ATOM 179 CG PRO A 12 -13.723 8.093 14.739 1.00 0.00 C ATOM 180 CD PRO A 12 -12.741 6.939 14.620 1.00 0.00 C ATOM 0 HA PRO A 12 -11.737 9.008 12.272 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.318 10.158 14.233 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.963 9.215 12.904 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.734 8.481 15.758 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.735 7.757 14.514 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.294 6.698 15.584 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.234 6.035 14.263 1.00 0.00 H new ATOM 188 N LEU A 13 -10.458 9.230 15.236 1.00 0.00 N ATOM 189 CA LEU A 13 -9.452 9.934 16.013 1.00 0.00 C ATOM 190 C LEU A 13 -8.242 10.229 15.126 1.00 0.00 C ATOM 191 O LEU A 13 -7.988 11.382 14.781 1.00 0.00 O ATOM 192 CB LEU A 13 -9.108 9.148 17.280 1.00 0.00 C ATOM 193 CG LEU A 13 -10.243 8.976 18.293 1.00 0.00 C ATOM 194 CD1 LEU A 13 -10.874 7.587 18.178 1.00 0.00 C ATOM 195 CD2 LEU A 13 -9.758 9.270 19.713 1.00 0.00 C ATOM 0 H LEU A 13 -10.851 8.407 15.693 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.838 10.894 16.355 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.757 8.159 16.986 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.276 9.646 17.778 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.022 9.703 18.062 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.677 7.491 18.908 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.278 7.453 17.175 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.117 6.826 18.369 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.583 9.141 20.413 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.952 8.584 19.971 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.393 10.296 19.768 1.00 0.00 H new ATOM 207 N LEU A 14 -7.527 9.168 14.781 1.00 0.00 N ATOM 208 CA LEU A 14 -6.350 9.300 13.939 1.00 0.00 C ATOM 209 C LEU A 14 -6.764 9.849 12.573 1.00 0.00 C ATOM 210 O LEU A 14 -5.919 10.287 11.795 1.00 0.00 O ATOM 211 CB LEU A 14 -5.594 7.972 13.864 1.00 0.00 C ATOM 212 CG LEU A 14 -5.047 7.435 15.189 1.00 0.00 C ATOM 213 CD1 LEU A 14 -5.366 5.948 15.351 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.549 7.718 15.317 1.00 0.00 C ATOM 0 H LEU A 14 -7.740 8.213 15.069 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.651 10.015 14.372 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.260 7.221 13.438 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.761 8.090 13.171 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.545 7.961 16.004 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.966 5.591 16.300 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.446 5.804 15.335 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.913 5.387 14.533 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.185 7.327 16.267 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.016 7.236 14.497 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.377 8.794 15.278 1.00 0.00 H new ATOM 226 N GLN A 15 -8.065 9.809 12.324 1.00 0.00 N ATOM 227 CA GLN A 15 -8.601 10.299 11.065 1.00 0.00 C ATOM 228 C GLN A 15 -8.264 9.328 9.932 1.00 0.00 C ATOM 229 O GLN A 15 -7.748 9.736 8.892 1.00 0.00 O ATOM 230 CB GLN A 15 -8.080 11.703 10.756 1.00 0.00 C ATOM 231 CG GLN A 15 -9.206 12.736 10.836 1.00 0.00 C ATOM 232 CD GLN A 15 -8.778 13.950 11.663 1.00 0.00 C ATOM 233 OE1 GLN A 15 -8.556 15.035 11.151 1.00 0.00 O ATOM 234 NE2 GLN A 15 -8.676 13.708 12.967 1.00 0.00 N ATOM 0 H GLN A 15 -8.763 9.445 12.972 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.686 10.362 11.154 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.291 11.965 11.461 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.637 11.719 9.760 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.484 13.055 9.831 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.091 12.281 11.282 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.876 12.776 13.330 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.397 14.454 13.604 1.00 0.00 H new ATOM 243 N ARG A 16 -8.570 8.060 10.170 1.00 0.00 N ATOM 244 CA ARG A 16 -8.306 7.028 9.183 1.00 0.00 C ATOM 245 C ARG A 16 -9.158 5.789 9.469 1.00 0.00 C ATOM 246 O ARG A 16 -9.423 5.468 10.627 1.00 0.00 O ATOM 247 CB ARG A 16 -6.828 6.633 9.180 1.00 0.00 C ATOM 248 CG ARG A 16 -6.200 6.849 10.558 1.00 0.00 C ATOM 249 CD ARG A 16 -4.716 6.479 10.549 1.00 0.00 C ATOM 250 NE ARG A 16 -4.464 5.373 11.500 1.00 0.00 N ATOM 251 CZ ARG A 16 -4.548 4.065 11.179 1.00 0.00 C ATOM 252 NH1 ARG A 16 -4.879 3.686 9.927 1.00 0.00 N ATOM 253 NH2 ARG A 16 -4.302 3.161 12.109 1.00 0.00 N ATOM 0 H ARG A 16 -8.998 7.725 11.033 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.564 7.432 8.204 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.728 5.587 8.891 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.292 7.222 8.436 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.317 7.891 10.855 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.724 6.246 11.299 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.413 6.182 9.545 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.115 7.347 10.820 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.211 5.615 12.458 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.068 4.391 9.214 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.940 2.695 9.694 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.053 3.455 13.053 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.361 2.168 11.883 1.00 0.00 H new ATOM 266 N ARG A 17 -9.562 5.127 8.395 1.00 0.00 N ATOM 267 CA ARG A 17 -10.378 3.931 8.517 1.00 0.00 C ATOM 268 C ARG A 17 -9.537 2.684 8.237 1.00 0.00 C ATOM 269 O ARG A 17 -8.760 2.657 7.284 1.00 0.00 O ATOM 270 CB ARG A 17 -11.560 3.969 7.546 1.00 0.00 C ATOM 271 CG ARG A 17 -12.306 2.634 7.538 1.00 0.00 C ATOM 272 CD ARG A 17 -13.515 2.687 6.600 1.00 0.00 C ATOM 273 NE ARG A 17 -14.736 2.273 7.326 1.00 0.00 N ATOM 274 CZ ARG A 17 -15.974 2.277 6.787 1.00 0.00 C ATOM 275 NH1 ARG A 17 -16.165 2.673 5.510 1.00 0.00 N ATOM 276 NH2 ARG A 17 -16.996 1.888 7.527 1.00 0.00 N ATOM 0 H ARG A 17 -9.340 5.396 7.437 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.761 3.894 9.537 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.243 4.770 7.830 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.203 4.196 6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.631 1.838 7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.635 2.391 8.548 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.639 3.697 6.209 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.351 2.032 5.744 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.636 1.966 8.293 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.371 2.972 4.945 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.104 2.673 5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.844 1.590 8.491 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.938 1.885 7.135 1.00 0.00 H new ATOM 289 N GLU A 18 -9.722 1.682 9.084 1.00 0.00 N ATOM 290 CA GLU A 18 -8.990 0.436 8.939 1.00 0.00 C ATOM 291 C GLU A 18 -9.961 -0.736 8.785 1.00 0.00 C ATOM 292 O GLU A 18 -10.723 -1.040 9.700 1.00 0.00 O ATOM 293 CB GLU A 18 -8.046 0.213 10.124 1.00 0.00 C ATOM 294 CG GLU A 18 -6.727 0.961 9.922 1.00 0.00 C ATOM 295 CD GLU A 18 -5.687 0.529 10.958 1.00 0.00 C ATOM 296 OE1 GLU A 18 -4.661 -0.064 10.597 1.00 0.00 O ATOM 297 OE2 GLU A 18 -5.976 0.832 12.179 1.00 0.00 O ATOM 0 H GLU A 18 -10.368 1.708 9.873 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.381 0.499 8.037 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.524 0.552 11.043 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.850 -0.853 10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.347 0.770 8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.898 2.035 9.999 1.00 0.00 H new ATOM 305 N ILE A 19 -9.901 -1.362 7.619 1.00 0.00 N ATOM 306 CA ILE A 19 -10.767 -2.494 7.333 1.00 0.00 C ATOM 307 C ILE A 19 -9.913 -3.690 6.908 1.00 0.00 C ATOM 308 O ILE A 19 -8.976 -3.541 6.126 1.00 0.00 O ATOM 309 CB ILE A 19 -11.835 -2.106 6.307 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.689 -0.945 6.818 1.00 0.00 C ATOM 311 CG2 ILE A 19 -12.685 -3.317 5.917 1.00 0.00 C ATOM 312 CD1 ILE A 19 -14.018 -0.868 6.061 1.00 0.00 C ATOM 0 H ILE A 19 -9.267 -1.107 6.862 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.311 -2.793 8.229 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.333 -1.761 5.403 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.880 -1.071 7.884 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.144 -0.008 6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.436 -3.015 5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -12.046 -4.086 5.483 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.180 -3.715 6.803 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.607 -0.034 6.443 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.824 -0.718 4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.571 -1.797 6.201 1.00 0.00 H new ATOM 324 N LYS A 20 -10.266 -4.849 7.444 1.00 0.00 N ATOM 325 CA LYS A 20 -9.543 -6.069 7.130 1.00 0.00 C ATOM 326 C LYS A 20 -10.439 -6.988 6.297 1.00 0.00 C ATOM 327 O LYS A 20 -11.644 -7.066 6.531 1.00 0.00 O ATOM 328 CB LYS A 20 -9.014 -6.722 8.409 1.00 0.00 C ATOM 329 CG LYS A 20 -7.672 -7.414 8.158 1.00 0.00 C ATOM 330 CD LYS A 20 -7.878 -8.852 7.680 1.00 0.00 C ATOM 331 CE LYS A 20 -8.657 -9.668 8.716 1.00 0.00 C ATOM 332 NZ LYS A 20 -7.885 -10.865 9.118 1.00 0.00 N ATOM 0 H LYS A 20 -11.043 -4.969 8.094 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.664 -5.846 6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.898 -5.966 9.186 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.738 -7.449 8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.105 -6.857 7.412 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.081 -7.413 9.074 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.417 -8.850 6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.911 -9.320 7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.866 -9.052 9.591 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.619 -9.970 8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.014 -11.036 10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.221 -11.691 8.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.876 -10.711 8.918 1.00 0.00 H new ATOM 345 N PHE A 21 -9.815 -7.660 5.341 1.00 0.00 N ATOM 346 CA PHE A 21 -10.541 -8.571 4.471 1.00 0.00 C ATOM 347 C PHE A 21 -9.602 -9.615 3.863 1.00 0.00 C ATOM 348 O PHE A 21 -8.402 -9.609 4.136 1.00 0.00 O ATOM 349 CB PHE A 21 -11.144 -7.728 3.345 1.00 0.00 C ATOM 350 CG PHE A 21 -10.110 -7.167 2.366 1.00 0.00 C ATOM 351 CD1 PHE A 21 -9.720 -7.904 1.292 1.00 0.00 C ATOM 352 CD2 PHE A 21 -9.582 -5.931 2.569 1.00 0.00 C ATOM 353 CE1 PHE A 21 -8.761 -7.384 0.384 1.00 0.00 C ATOM 354 CE2 PHE A 21 -8.623 -5.410 1.661 1.00 0.00 C ATOM 355 CZ PHE A 21 -8.232 -6.148 0.588 1.00 0.00 C ATOM 0 H PHE A 21 -8.815 -7.592 5.149 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.307 -9.098 5.040 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.860 -8.337 2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.701 -6.900 3.783 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.140 -8.886 1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -9.892 -5.345 3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.451 -7.970 -0.469 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.204 -4.428 1.822 1.00 0.00 H new ATOM 0 HZ PHE A 21 -7.501 -5.753 -0.102 1.00 0.00 H new ATOM 365 N THR A 22 -10.183 -10.486 3.052 1.00 0.00 N ATOM 366 CA THR A 22 -9.412 -11.534 2.403 1.00 0.00 C ATOM 367 C THR A 22 -9.711 -11.565 0.904 1.00 0.00 C ATOM 368 O THR A 22 -10.851 -11.362 0.490 1.00 0.00 O ATOM 369 CB THR A 22 -9.721 -12.855 3.112 1.00 0.00 C ATOM 370 OG1 THR A 22 -8.589 -13.074 3.948 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.715 -14.048 2.155 1.00 0.00 C ATOM 0 H THR A 22 -11.178 -10.488 2.829 1.00 0.00 H new ATOM 0 HA THR A 22 -8.341 -11.347 2.485 1.00 0.00 H new ATOM 0 HB THR A 22 -10.693 -12.786 3.600 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.707 -13.910 4.446 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.940 -14.960 2.709 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.468 -13.898 1.382 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.732 -14.138 1.692 1.00 0.00 H new ATOM 379 N VAL A 23 -8.665 -11.820 0.131 1.00 0.00 N ATOM 380 CA VAL A 23 -8.800 -11.879 -1.315 1.00 0.00 C ATOM 381 C VAL A 23 -8.268 -13.223 -1.818 1.00 0.00 C ATOM 382 O VAL A 23 -7.155 -13.620 -1.479 1.00 0.00 O ATOM 383 CB VAL A 23 -8.098 -10.680 -1.957 1.00 0.00 C ATOM 384 CG1 VAL A 23 -6.659 -10.556 -1.455 1.00 0.00 C ATOM 385 CG2 VAL A 23 -8.142 -10.773 -3.484 1.00 0.00 C ATOM 0 H VAL A 23 -7.721 -11.988 0.479 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.849 -11.816 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.634 -9.778 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.182 -9.697 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.661 -10.422 -0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.106 -11.461 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.637 -9.909 -3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.641 -11.686 -3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.180 -10.790 -3.818 1.00 0.00 H new ATOM 395 N SER A 24 -9.091 -13.886 -2.619 1.00 0.00 N ATOM 396 CA SER A 24 -8.716 -15.177 -3.171 1.00 0.00 C ATOM 397 C SER A 24 -8.119 -14.995 -4.568 1.00 0.00 C ATOM 398 O SER A 24 -8.612 -14.193 -5.358 1.00 0.00 O ATOM 399 CB SER A 24 -9.919 -16.121 -3.228 1.00 0.00 C ATOM 400 OG SER A 24 -9.840 -17.021 -4.329 1.00 0.00 O ATOM 0 H SER A 24 -10.014 -13.554 -2.898 1.00 0.00 H new ATOM 0 HA SER A 24 -7.967 -15.624 -2.518 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.979 -16.689 -2.299 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.836 -15.536 -3.303 1.00 0.00 H new ATOM 0 HG SER A 24 -10.625 -17.607 -4.329 1.00 0.00 H new ATOM 406 N PHE A 25 -7.064 -15.752 -4.828 1.00 0.00 N ATOM 407 CA PHE A 25 -6.393 -15.686 -6.116 1.00 0.00 C ATOM 408 C PHE A 25 -6.219 -17.081 -6.717 1.00 0.00 C ATOM 409 O PHE A 25 -6.383 -18.085 -6.024 1.00 0.00 O ATOM 410 CB PHE A 25 -5.013 -15.073 -5.870 1.00 0.00 C ATOM 411 CG PHE A 25 -5.051 -13.603 -5.447 1.00 0.00 C ATOM 412 CD1 PHE A 25 -5.375 -12.642 -6.354 1.00 0.00 C ATOM 413 CD2 PHE A 25 -4.761 -13.257 -4.164 1.00 0.00 C ATOM 414 CE1 PHE A 25 -5.409 -11.278 -5.962 1.00 0.00 C ATOM 415 CE2 PHE A 25 -4.795 -11.893 -3.772 1.00 0.00 C ATOM 416 CZ PHE A 25 -5.120 -10.932 -4.679 1.00 0.00 C ATOM 0 H PHE A 25 -6.656 -16.415 -4.169 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.984 -15.092 -6.813 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.503 -15.649 -5.098 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.419 -15.163 -6.780 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.606 -12.917 -7.372 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.505 -14.020 -3.444 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.664 -10.515 -6.683 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.563 -11.618 -2.754 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.148 -9.895 -4.380 1.00 0.00 H new ATOM 426 N ASP A 26 -5.887 -17.101 -7.999 1.00 0.00 N ATOM 427 CA ASP A 26 -5.689 -18.357 -8.702 1.00 0.00 C ATOM 428 C ASP A 26 -4.812 -18.116 -9.933 1.00 0.00 C ATOM 429 O ASP A 26 -5.283 -18.219 -11.065 1.00 0.00 O ATOM 430 CB ASP A 26 -7.022 -18.939 -9.178 1.00 0.00 C ATOM 431 CG ASP A 26 -7.865 -19.601 -8.087 1.00 0.00 C ATOM 432 OD1 ASP A 26 -8.677 -18.943 -7.419 1.00 0.00 O ATOM 433 OD2 ASP A 26 -7.659 -20.865 -7.929 1.00 0.00 O ATOM 0 H ASP A 26 -5.750 -16.267 -8.570 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.215 -19.057 -8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.607 -18.141 -9.634 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.823 -19.674 -9.958 1.00 0.00 H new ATOM 439 N ALA A 27 -3.553 -17.799 -9.669 1.00 0.00 N ATOM 440 CA ALA A 27 -2.606 -17.542 -10.742 1.00 0.00 C ATOM 441 C ALA A 27 -1.415 -16.758 -10.187 1.00 0.00 C ATOM 442 O ALA A 27 -0.343 -17.322 -9.969 1.00 0.00 O ATOM 443 CB ALA A 27 -3.312 -16.802 -11.879 1.00 0.00 C ATOM 0 H ALA A 27 -3.166 -17.714 -8.729 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.224 -18.478 -11.150 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.602 -16.609 -12.684 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.132 -17.413 -12.257 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.706 -15.856 -11.508 1.00 0.00 H new ATOM 449 N ALA A 28 -1.643 -15.471 -9.974 1.00 0.00 N ATOM 450 CA ALA A 28 -0.601 -14.604 -9.450 1.00 0.00 C ATOM 451 C ALA A 28 -1.224 -13.279 -9.002 1.00 0.00 C ATOM 452 O ALA A 28 -2.289 -12.897 -9.481 1.00 0.00 O ATOM 453 CB ALA A 28 0.485 -14.409 -10.510 1.00 0.00 C ATOM 0 H ALA A 28 -2.533 -15.007 -10.154 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.127 -15.057 -8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.266 -13.759 -10.116 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.916 -15.375 -10.772 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.048 -13.954 -11.399 1.00 0.00 H new ATOM 459 N THR A 29 -0.531 -12.615 -8.088 1.00 0.00 N ATOM 460 CA THR A 29 -1.001 -11.341 -7.571 1.00 0.00 C ATOM 461 C THR A 29 -0.625 -10.206 -8.526 1.00 0.00 C ATOM 462 O THR A 29 0.501 -10.151 -9.016 1.00 0.00 O ATOM 463 CB THR A 29 -0.434 -11.164 -6.162 1.00 0.00 C ATOM 464 OG1 THR A 29 -1.420 -11.747 -5.314 1.00 0.00 O ATOM 465 CG2 THR A 29 -0.389 -9.697 -5.729 1.00 0.00 C ATOM 0 H THR A 29 0.353 -12.936 -7.692 1.00 0.00 H new ATOM 0 HA THR A 29 -2.089 -11.319 -7.503 1.00 0.00 H new ATOM 0 HB THR A 29 0.570 -11.586 -6.120 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.131 -11.677 -4.380 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.022 -9.627 -4.722 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.241 -9.134 -6.417 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.397 -9.284 -5.739 1.00 0.00 H new ATOM 473 N PRO A 30 -1.615 -9.305 -8.766 1.00 0.00 N ATOM 474 CA PRO A 30 -1.398 -8.175 -9.653 1.00 0.00 C ATOM 475 C PRO A 30 -0.541 -7.104 -8.976 1.00 0.00 C ATOM 476 O PRO A 30 0.685 -7.133 -9.073 1.00 0.00 O ATOM 477 CB PRO A 30 -2.792 -7.682 -10.008 1.00 0.00 C ATOM 478 CG PRO A 30 -3.720 -8.255 -8.949 1.00 0.00 C ATOM 479 CD PRO A 30 -2.961 -9.338 -8.202 1.00 0.00 C ATOM 0 HA PRO A 30 -0.843 -8.445 -10.552 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.831 -6.593 -10.013 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.083 -8.016 -11.004 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.044 -7.473 -8.262 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.618 -8.667 -9.410 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.946 -9.143 -7.130 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.425 -10.314 -8.342 1.00 0.00 H new ATOM 487 N SER A 31 -1.218 -6.184 -8.306 1.00 0.00 N ATOM 488 CA SER A 31 -0.534 -5.105 -7.614 1.00 0.00 C ATOM 489 C SER A 31 -1.450 -4.501 -6.548 1.00 0.00 C ATOM 490 O SER A 31 -2.566 -4.977 -6.342 1.00 0.00 O ATOM 491 CB SER A 31 -0.076 -4.024 -8.594 1.00 0.00 C ATOM 492 OG SER A 31 0.953 -4.490 -9.462 1.00 0.00 O ATOM 0 H SER A 31 -2.235 -6.163 -8.227 1.00 0.00 H new ATOM 0 HA SER A 31 0.351 -5.518 -7.131 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.927 -3.689 -9.188 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.284 -3.159 -8.037 1.00 0.00 H new ATOM 0 HG SER A 31 1.218 -5.396 -9.198 1.00 0.00 H new ATOM 498 N ILE A 32 -0.946 -3.463 -5.898 1.00 0.00 N ATOM 499 CA ILE A 32 -1.705 -2.790 -4.858 1.00 0.00 C ATOM 500 C ILE A 32 -2.852 -2.004 -5.498 1.00 0.00 C ATOM 501 O ILE A 32 -4.014 -2.200 -5.148 1.00 0.00 O ATOM 502 CB ILE A 32 -0.783 -1.933 -3.990 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.566 -2.624 -3.775 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.458 -1.570 -2.665 1.00 0.00 C ATOM 505 CD1 ILE A 32 1.301 -2.031 -2.571 1.00 0.00 C ATOM 0 H ILE A 32 -0.020 -3.071 -6.071 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.154 -3.518 -4.183 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.587 -1.000 -4.518 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.411 -3.692 -3.621 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.180 -2.517 -4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.781 -0.960 -2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.371 -1.009 -2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.703 -2.481 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.256 -2.540 -2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.476 -0.968 -2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.695 -2.162 -1.674 1.00 0.00 H new ATOM 517 N LYS A 33 -2.485 -1.132 -6.425 1.00 0.00 N ATOM 518 CA LYS A 33 -3.467 -0.316 -7.117 1.00 0.00 C ATOM 519 C LYS A 33 -4.444 -1.227 -7.864 1.00 0.00 C ATOM 520 O LYS A 33 -5.650 -0.981 -7.867 1.00 0.00 O ATOM 521 CB LYS A 33 -2.775 0.712 -8.015 1.00 0.00 C ATOM 522 CG LYS A 33 -3.796 1.484 -8.852 1.00 0.00 C ATOM 523 CD LYS A 33 -3.855 0.943 -10.282 1.00 0.00 C ATOM 524 CE LYS A 33 -2.900 1.709 -11.198 1.00 0.00 C ATOM 525 NZ LYS A 33 -3.598 2.146 -12.427 1.00 0.00 N ATOM 0 H LYS A 33 -1.520 -0.973 -6.713 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.052 0.263 -6.403 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.201 1.407 -7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.067 0.208 -8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.781 1.409 -8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.532 2.541 -8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.596 -0.116 -10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.873 1.023 -10.663 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.500 2.576 -10.672 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.052 1.076 -11.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.935 2.665 -13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.959 1.314 -12.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.392 2.767 -12.173 1.00 0.00 H new ATOM 538 N ASP A 34 -3.887 -2.259 -8.481 1.00 0.00 N ATOM 539 CA ASP A 34 -4.695 -3.207 -9.230 1.00 0.00 C ATOM 540 C ASP A 34 -5.754 -3.810 -8.306 1.00 0.00 C ATOM 541 O ASP A 34 -6.873 -4.087 -8.735 1.00 0.00 O ATOM 542 CB ASP A 34 -3.836 -4.350 -9.776 1.00 0.00 C ATOM 543 CG ASP A 34 -4.216 -4.830 -11.178 1.00 0.00 C ATOM 544 OD1 ASP A 34 -3.494 -4.582 -12.156 1.00 0.00 O ATOM 545 OD2 ASP A 34 -5.320 -5.494 -11.247 1.00 0.00 O ATOM 0 H ASP A 34 -2.887 -2.459 -8.478 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.158 -2.674 -10.061 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.795 -4.028 -9.788 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.901 -5.194 -9.089 1.00 0.00 H new ATOM 551 N VAL A 35 -5.364 -3.998 -7.054 1.00 0.00 N ATOM 552 CA VAL A 35 -6.265 -4.565 -6.066 1.00 0.00 C ATOM 553 C VAL A 35 -7.209 -3.472 -5.558 1.00 0.00 C ATOM 554 O VAL A 35 -8.425 -3.652 -5.551 1.00 0.00 O ATOM 555 CB VAL A 35 -5.463 -5.230 -4.946 1.00 0.00 C ATOM 556 CG1 VAL A 35 -6.388 -5.753 -3.845 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.577 -6.350 -5.495 1.00 0.00 C ATOM 0 H VAL A 35 -4.435 -3.767 -6.701 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.881 -5.345 -6.513 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.813 -4.474 -4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.792 -6.221 -3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.956 -4.924 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.075 -6.487 -4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.018 -6.806 -4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.200 -7.105 -5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.881 -5.938 -6.225 1.00 0.00 H new ATOM 567 N LYS A 36 -6.612 -2.364 -5.144 1.00 0.00 N ATOM 568 CA LYS A 36 -7.384 -1.244 -4.635 1.00 0.00 C ATOM 569 C LYS A 36 -8.515 -0.923 -5.615 1.00 0.00 C ATOM 570 O LYS A 36 -9.550 -0.391 -5.219 1.00 0.00 O ATOM 571 CB LYS A 36 -6.469 -0.053 -4.341 1.00 0.00 C ATOM 572 CG LYS A 36 -6.658 1.054 -5.379 1.00 0.00 C ATOM 573 CD LYS A 36 -5.411 1.935 -5.476 1.00 0.00 C ATOM 574 CE LYS A 36 -5.689 3.341 -4.938 1.00 0.00 C ATOM 575 NZ LYS A 36 -4.745 4.316 -5.526 1.00 0.00 N ATOM 0 H LYS A 36 -5.602 -2.218 -5.151 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.849 -1.502 -3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.682 0.337 -3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.429 -0.381 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.872 0.612 -6.352 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.519 1.666 -5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.596 1.481 -4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.085 1.997 -6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.713 3.631 -5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.597 3.346 -3.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.643 5.130 -4.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.818 3.864 -5.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.109 4.641 -6.445 1.00 0.00 H new ATOM 588 N MET A 37 -8.277 -1.259 -6.874 1.00 0.00 N ATOM 589 CA MET A 37 -9.262 -1.014 -7.913 1.00 0.00 C ATOM 590 C MET A 37 -10.629 -1.576 -7.516 1.00 0.00 C ATOM 591 O MET A 37 -11.616 -0.843 -7.469 1.00 0.00 O ATOM 592 CB MET A 37 -8.801 -1.664 -9.219 1.00 0.00 C ATOM 593 CG MET A 37 -7.643 -0.883 -9.841 1.00 0.00 C ATOM 594 SD MET A 37 -8.003 -0.514 -11.551 1.00 0.00 S ATOM 595 CE MET A 37 -7.563 -2.072 -12.303 1.00 0.00 C ATOM 0 H MET A 37 -7.416 -1.699 -7.198 1.00 0.00 H new ATOM 0 HA MET A 37 -9.359 0.063 -8.049 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.491 -2.691 -9.028 1.00 0.00 H new ATOM 0 HB3 MET A 37 -9.634 -1.708 -9.921 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.479 0.042 -9.288 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.723 -1.464 -9.772 1.00 0.00 H new ATOM 0 HE1 MET A 37 -7.728 -2.016 -13.379 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.512 -2.286 -12.108 1.00 0.00 H new ATOM 0 HE3 MET A 37 -8.180 -2.866 -11.882 1.00 0.00 H new ATOM 605 N LYS A 38 -10.642 -2.872 -7.243 1.00 0.00 N ATOM 606 CA LYS A 38 -11.872 -3.542 -6.852 1.00 0.00 C ATOM 607 C LYS A 38 -12.277 -3.077 -5.452 1.00 0.00 C ATOM 608 O LYS A 38 -13.422 -2.684 -5.232 1.00 0.00 O ATOM 609 CB LYS A 38 -11.718 -5.059 -6.976 1.00 0.00 C ATOM 610 CG LYS A 38 -10.695 -5.419 -8.056 1.00 0.00 C ATOM 611 CD LYS A 38 -9.341 -5.767 -7.432 1.00 0.00 C ATOM 612 CE LYS A 38 -9.082 -7.274 -7.492 1.00 0.00 C ATOM 613 NZ LYS A 38 -9.313 -7.892 -6.167 1.00 0.00 N ATOM 0 H LYS A 38 -9.821 -3.476 -7.285 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.685 -3.271 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.404 -5.476 -6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.681 -5.508 -7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.059 -6.264 -8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.578 -4.583 -8.745 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.547 -5.237 -7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.317 -5.431 -6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.737 -7.732 -8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.057 -7.461 -7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.117 -8.912 -6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.683 -7.454 -5.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.303 -7.745 -5.883 1.00 0.00 H new ATOM 626 N LEU A 39 -11.317 -3.139 -4.541 1.00 0.00 N ATOM 627 CA LEU A 39 -11.560 -2.730 -3.169 1.00 0.00 C ATOM 628 C LEU A 39 -12.215 -1.347 -3.161 1.00 0.00 C ATOM 629 O LEU A 39 -13.072 -1.068 -2.325 1.00 0.00 O ATOM 630 CB LEU A 39 -10.268 -2.803 -2.352 1.00 0.00 C ATOM 631 CG LEU A 39 -9.694 -4.203 -2.128 1.00 0.00 C ATOM 632 CD1 LEU A 39 -8.169 -4.158 -2.014 1.00 0.00 C ATOM 633 CD2 LEU A 39 -10.339 -4.873 -0.914 1.00 0.00 C ATOM 0 H LEU A 39 -10.369 -3.467 -4.727 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.256 -3.415 -2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.511 -2.197 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.451 -2.347 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.935 -4.814 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.786 -5.166 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.747 -3.750 -2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.886 -3.525 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.913 -5.867 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.151 -4.272 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.414 -4.958 -1.074 1.00 0.00 H new ATOM 645 N VAL A 40 -11.787 -0.520 -4.103 1.00 0.00 N ATOM 646 CA VAL A 40 -12.321 0.827 -4.215 1.00 0.00 C ATOM 647 C VAL A 40 -13.835 0.754 -4.426 1.00 0.00 C ATOM 648 O VAL A 40 -14.586 1.522 -3.828 1.00 0.00 O ATOM 649 CB VAL A 40 -11.598 1.586 -5.331 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.476 2.707 -5.889 1.00 0.00 C ATOM 651 CG2 VAL A 40 -10.256 2.132 -4.840 1.00 0.00 C ATOM 0 H VAL A 40 -11.077 -0.756 -4.796 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.147 1.385 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.398 0.884 -6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.939 3.230 -6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.395 2.282 -6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.721 3.408 -5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.762 2.667 -5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.424 2.813 -4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.625 1.306 -4.513 1.00 0.00 H new ATOM 661 N ALA A 41 -14.237 -0.176 -5.279 1.00 0.00 N ATOM 662 CA ALA A 41 -15.647 -0.360 -5.576 1.00 0.00 C ATOM 663 C ALA A 41 -16.329 -1.045 -4.390 1.00 0.00 C ATOM 664 O ALA A 41 -17.480 -0.747 -4.075 1.00 0.00 O ATOM 665 CB ALA A 41 -15.796 -1.156 -6.874 1.00 0.00 C ATOM 0 H ALA A 41 -13.611 -0.811 -5.774 1.00 0.00 H new ATOM 0 HA ALA A 41 -16.136 0.602 -5.726 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.854 -1.294 -7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.321 -0.612 -7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -15.319 -2.130 -6.761 1.00 0.00 H new ATOM 671 N VAL A 42 -15.590 -1.949 -3.765 1.00 0.00 N ATOM 672 CA VAL A 42 -16.109 -2.678 -2.621 1.00 0.00 C ATOM 673 C VAL A 42 -16.347 -1.704 -1.465 1.00 0.00 C ATOM 674 O VAL A 42 -17.434 -1.672 -0.889 1.00 0.00 O ATOM 675 CB VAL A 42 -15.159 -3.821 -2.253 1.00 0.00 C ATOM 676 CG1 VAL A 42 -15.555 -4.456 -0.918 1.00 0.00 C ATOM 677 CG2 VAL A 42 -15.107 -4.870 -3.366 1.00 0.00 C ATOM 0 H VAL A 42 -14.636 -2.193 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.068 -3.135 -2.864 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.159 -3.402 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.864 -5.265 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.516 -3.703 -0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.567 -4.853 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.425 -5.671 -3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.104 -5.281 -3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.755 -4.406 -4.287 1.00 0.00 H new ATOM 687 N LEU A 43 -15.314 -0.934 -1.161 1.00 0.00 N ATOM 688 CA LEU A 43 -15.397 0.039 -0.085 1.00 0.00 C ATOM 689 C LEU A 43 -16.297 1.198 -0.519 1.00 0.00 C ATOM 690 O LEU A 43 -16.997 1.787 0.304 1.00 0.00 O ATOM 691 CB LEU A 43 -13.997 0.478 0.351 1.00 0.00 C ATOM 692 CG LEU A 43 -13.039 -0.643 0.757 1.00 0.00 C ATOM 693 CD1 LEU A 43 -11.763 -0.076 1.383 1.00 0.00 C ATOM 694 CD2 LEU A 43 -13.730 -1.650 1.678 1.00 0.00 C ATOM 0 H LEU A 43 -14.414 -0.964 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.855 -0.408 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.543 1.039 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.098 1.165 1.192 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.744 -1.181 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.100 -0.895 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.260 0.569 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.019 0.502 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.026 -2.436 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.074 -1.142 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.583 -2.090 1.161 1.00 0.00 H new ATOM 706 N ASN A 44 -16.251 1.489 -1.810 1.00 0.00 N ATOM 707 CA ASN A 44 -17.053 2.567 -2.363 1.00 0.00 C ATOM 708 C ASN A 44 -16.488 3.910 -1.896 1.00 0.00 C ATOM 709 O ASN A 44 -17.159 4.658 -1.187 1.00 0.00 O ATOM 710 CB ASN A 44 -18.504 2.474 -1.886 1.00 0.00 C ATOM 711 CG ASN A 44 -19.464 3.041 -2.934 1.00 0.00 C ATOM 712 OD1 ASN A 44 -19.074 3.437 -4.020 1.00 0.00 O ATOM 713 ND2 ASN A 44 -20.737 3.058 -2.549 1.00 0.00 N ATOM 0 H ASN A 44 -15.671 0.997 -2.490 1.00 0.00 H new ATOM 0 HA ASN A 44 -17.024 2.485 -3.450 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -18.757 1.434 -1.681 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.618 3.020 -0.950 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -21.455 3.418 -3.178 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.995 2.711 -1.625 1.00 0.00 H new ATOM 720 N ALA A 45 -15.258 4.175 -2.314 1.00 0.00 N ATOM 721 CA ALA A 45 -14.595 5.415 -1.949 1.00 0.00 C ATOM 722 C ALA A 45 -13.660 5.842 -3.082 1.00 0.00 C ATOM 723 O ALA A 45 -13.698 5.271 -4.171 1.00 0.00 O ATOM 724 CB ALA A 45 -13.856 5.226 -0.623 1.00 0.00 C ATOM 0 H ALA A 45 -14.704 3.552 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.324 6.213 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.358 6.156 -0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.569 4.952 0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.114 4.435 -0.730 1.00 0.00 H new ATOM 730 N ASN A 46 -12.843 6.842 -2.786 1.00 0.00 N ATOM 731 CA ASN A 46 -11.899 7.351 -3.767 1.00 0.00 C ATOM 732 C ASN A 46 -10.643 6.478 -3.762 1.00 0.00 C ATOM 733 O ASN A 46 -10.609 5.437 -3.109 1.00 0.00 O ATOM 734 CB ASN A 46 -11.481 8.784 -3.435 1.00 0.00 C ATOM 735 CG ASN A 46 -11.239 9.595 -4.710 1.00 0.00 C ATOM 736 OD1 ASN A 46 -11.780 9.314 -5.767 1.00 0.00 O ATOM 737 ND2 ASN A 46 -10.398 10.614 -4.553 1.00 0.00 N ATOM 0 H ASN A 46 -12.815 7.313 -1.882 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.384 7.333 -4.743 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.256 9.263 -2.837 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.574 8.771 -2.830 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.172 11.215 -5.345 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.980 10.794 -3.640 1.00 0.00 H new ATOM 744 N LYS A 47 -9.640 6.935 -4.497 1.00 0.00 N ATOM 745 CA LYS A 47 -8.385 6.209 -4.586 1.00 0.00 C ATOM 746 C LYS A 47 -7.283 7.018 -3.900 1.00 0.00 C ATOM 747 O LYS A 47 -7.470 7.510 -2.788 1.00 0.00 O ATOM 748 CB LYS A 47 -8.072 5.854 -6.042 1.00 0.00 C ATOM 749 CG LYS A 47 -8.012 7.112 -6.912 1.00 0.00 C ATOM 750 CD LYS A 47 -7.753 6.753 -8.375 1.00 0.00 C ATOM 751 CE LYS A 47 -6.257 6.801 -8.695 1.00 0.00 C ATOM 752 NZ LYS A 47 -6.041 6.857 -10.158 1.00 0.00 N ATOM 0 H LYS A 47 -9.671 7.800 -5.037 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.458 5.258 -4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.120 5.325 -6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.835 5.177 -6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.950 7.661 -6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.223 7.772 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.141 5.756 -8.583 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.290 7.445 -9.024 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.806 7.673 -8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.762 5.922 -8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.021 6.889 -10.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.454 6.012 -10.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.496 7.709 -10.544 1.00 0.00 H new ATOM 765 N GLN A 48 -6.158 7.130 -4.590 1.00 0.00 N ATOM 766 CA GLN A 48 -5.026 7.871 -4.061 1.00 0.00 C ATOM 767 C GLN A 48 -4.946 7.705 -2.543 1.00 0.00 C ATOM 768 O GLN A 48 -4.387 6.726 -2.050 1.00 0.00 O ATOM 769 CB GLN A 48 -5.109 9.350 -4.448 1.00 0.00 C ATOM 770 CG GLN A 48 -4.501 9.589 -5.831 1.00 0.00 C ATOM 771 CD GLN A 48 -3.712 10.901 -5.863 1.00 0.00 C ATOM 772 OE1 GLN A 48 -3.514 11.561 -4.856 1.00 0.00 O ATOM 773 NE2 GLN A 48 -3.274 11.239 -7.072 1.00 0.00 N ATOM 0 H GLN A 48 -6.006 6.720 -5.511 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.114 7.466 -4.500 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.150 9.673 -4.444 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.585 9.954 -3.707 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.845 8.759 -6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.292 9.618 -6.580 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.475 10.641 -7.873 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.737 12.097 -7.198 1.00 0.00 H new ATOM 782 N VAL A 49 -5.512 8.677 -1.842 1.00 0.00 N ATOM 783 CA VAL A 49 -5.511 8.651 -0.390 1.00 0.00 C ATOM 784 C VAL A 49 -5.767 7.222 0.091 1.00 0.00 C ATOM 785 O VAL A 49 -5.301 6.829 1.159 1.00 0.00 O ATOM 786 CB VAL A 49 -6.531 9.655 0.152 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.343 11.030 -0.493 1.00 0.00 C ATOM 788 CG2 VAL A 49 -7.960 9.147 -0.047 1.00 0.00 C ATOM 0 H VAL A 49 -5.974 9.488 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.538 8.955 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.360 9.761 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.080 11.725 -0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.341 11.399 -0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.474 10.947 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.665 9.879 0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.148 8.998 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.087 8.201 0.480 1.00 0.00 H new ATOM 798 N LEU A 50 -6.508 6.481 -0.722 1.00 0.00 N ATOM 799 CA LEU A 50 -6.832 5.104 -0.393 1.00 0.00 C ATOM 800 C LEU A 50 -5.672 4.198 -0.813 1.00 0.00 C ATOM 801 O LEU A 50 -5.140 4.336 -1.914 1.00 0.00 O ATOM 802 CB LEU A 50 -8.176 4.708 -1.009 1.00 0.00 C ATOM 803 CG LEU A 50 -8.451 3.206 -1.108 1.00 0.00 C ATOM 804 CD1 LEU A 50 -9.930 2.902 -0.856 1.00 0.00 C ATOM 805 CD2 LEU A 50 -7.972 2.649 -2.449 1.00 0.00 C ATOM 0 H LEU A 50 -6.893 6.810 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.955 4.988 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.972 5.165 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.234 5.135 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.881 2.702 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.099 1.828 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.207 3.243 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.539 3.418 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.179 1.580 -2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.495 3.154 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.899 2.815 -2.550 1.00 0.00 H new ATOM 817 N VAL A 51 -5.315 3.293 0.085 1.00 0.00 N ATOM 818 CA VAL A 51 -4.229 2.365 -0.179 1.00 0.00 C ATOM 819 C VAL A 51 -4.425 1.103 0.664 1.00 0.00 C ATOM 820 O VAL A 51 -5.345 1.033 1.478 1.00 0.00 O ATOM 821 CB VAL A 51 -2.883 3.049 0.073 1.00 0.00 C ATOM 822 CG1 VAL A 51 -1.800 2.485 -0.849 1.00 0.00 C ATOM 823 CG2 VAL A 51 -3.002 4.566 -0.083 1.00 0.00 C ATOM 0 H VAL A 51 -5.759 3.182 0.997 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.233 2.061 -1.226 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.588 2.840 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.854 2.988 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.688 1.416 -0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.086 2.648 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.032 5.028 0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.330 4.803 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.728 4.950 0.633 1.00 0.00 H new ATOM 833 N VAL A 52 -3.545 0.137 0.440 1.00 0.00 N ATOM 834 CA VAL A 52 -3.611 -1.117 1.170 1.00 0.00 C ATOM 835 C VAL A 52 -2.510 -1.144 2.232 1.00 0.00 C ATOM 836 O VAL A 52 -1.413 -0.635 2.007 1.00 0.00 O ATOM 837 CB VAL A 52 -3.529 -2.294 0.195 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.718 -3.445 0.792 1.00 0.00 C ATOM 839 CG2 VAL A 52 -4.925 -2.763 -0.218 1.00 0.00 C ATOM 0 H VAL A 52 -2.784 0.198 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.565 -1.206 1.689 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.013 -1.950 -0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.675 -4.268 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.707 -3.102 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.193 -3.786 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.837 -3.600 -0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.479 -3.080 0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.455 -1.944 -0.704 1.00 0.00 H new ATOM 849 N ASP A 53 -2.843 -1.739 3.368 1.00 0.00 N ATOM 850 CA ASP A 53 -1.895 -1.838 4.466 1.00 0.00 C ATOM 851 C ASP A 53 -0.837 -2.891 4.128 1.00 0.00 C ATOM 852 O ASP A 53 0.357 -2.595 4.121 1.00 0.00 O ATOM 853 CB ASP A 53 -2.594 -2.266 5.758 1.00 0.00 C ATOM 854 CG ASP A 53 -2.590 -1.218 6.872 1.00 0.00 C ATOM 855 OD1 ASP A 53 -3.647 -0.710 7.274 1.00 0.00 O ATOM 856 OD2 ASP A 53 -1.424 -0.924 7.340 1.00 0.00 O ATOM 0 H ASP A 53 -3.755 -2.157 3.552 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.440 -0.858 4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.627 -2.524 5.526 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.115 -3.172 6.130 1.00 0.00 H new ATOM 862 N THR A 54 -1.314 -4.096 3.858 1.00 0.00 N ATOM 863 CA THR A 54 -0.424 -5.195 3.520 1.00 0.00 C ATOM 864 C THR A 54 -1.231 -6.437 3.140 1.00 0.00 C ATOM 865 O THR A 54 -2.411 -6.542 3.474 1.00 0.00 O ATOM 866 CB THR A 54 0.518 -5.420 4.705 1.00 0.00 C ATOM 867 OG1 THR A 54 1.712 -4.738 4.333 1.00 0.00 O ATOM 868 CG2 THR A 54 0.950 -6.882 4.839 1.00 0.00 C ATOM 0 H THR A 54 -2.305 -4.337 3.866 1.00 0.00 H new ATOM 0 HA THR A 54 0.181 -4.960 2.645 1.00 0.00 H new ATOM 0 HB THR A 54 0.028 -5.100 5.625 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.596 -3.775 4.472 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.617 -6.987 5.695 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.071 -7.509 4.985 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.470 -7.192 3.933 1.00 0.00 H new ATOM 876 N LEU A 55 -0.563 -7.348 2.447 1.00 0.00 N ATOM 877 CA LEU A 55 -1.203 -8.580 2.018 1.00 0.00 C ATOM 878 C LEU A 55 -0.255 -9.755 2.263 1.00 0.00 C ATOM 879 O LEU A 55 0.924 -9.556 2.553 1.00 0.00 O ATOM 880 CB LEU A 55 -1.674 -8.462 0.567 1.00 0.00 C ATOM 881 CG LEU A 55 -2.922 -9.267 0.199 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.027 -8.353 -0.334 1.00 0.00 C ATOM 883 CD2 LEU A 55 -2.581 -10.387 -0.786 1.00 0.00 C ATOM 0 H LEU A 55 0.415 -7.257 2.172 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.101 -8.767 2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.868 -7.411 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.859 -8.775 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.303 -9.739 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.902 -8.951 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.295 -7.623 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.672 -7.833 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.485 -10.944 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.162 -9.957 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.852 -11.060 -0.334 1.00 0.00 H new ATOM 895 N ASP A 56 -0.804 -10.954 2.136 1.00 0.00 N ATOM 896 CA ASP A 56 -0.021 -12.161 2.340 1.00 0.00 C ATOM 897 C ASP A 56 -0.755 -13.351 1.718 1.00 0.00 C ATOM 898 O ASP A 56 -1.884 -13.656 2.097 1.00 0.00 O ATOM 899 CB ASP A 56 0.168 -12.450 3.831 1.00 0.00 C ATOM 900 CG ASP A 56 1.595 -12.264 4.350 1.00 0.00 C ATOM 901 OD1 ASP A 56 2.397 -13.209 4.364 1.00 0.00 O ATOM 902 OD2 ASP A 56 1.876 -11.073 4.758 1.00 0.00 O ATOM 0 H ASP A 56 -1.782 -11.116 1.894 1.00 0.00 H new ATOM 0 HA ASP A 56 0.954 -12.013 1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.497 -11.799 4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.144 -13.475 4.029 1.00 0.00 H new ATOM 908 N GLN A 57 -0.082 -13.991 0.773 1.00 0.00 N ATOM 909 CA GLN A 57 -0.656 -15.140 0.094 1.00 0.00 C ATOM 910 C GLN A 57 -0.788 -16.317 1.062 1.00 0.00 C ATOM 911 O GLN A 57 0.095 -16.547 1.887 1.00 0.00 O ATOM 912 CB GLN A 57 0.177 -15.526 -1.130 1.00 0.00 C ATOM 913 CG GLN A 57 -0.584 -16.507 -2.024 1.00 0.00 C ATOM 914 CD GLN A 57 0.369 -17.515 -2.670 1.00 0.00 C ATOM 915 OE1 GLN A 57 1.573 -17.320 -2.728 1.00 0.00 O ATOM 916 NE2 GLN A 57 -0.232 -18.599 -3.149 1.00 0.00 N ATOM 0 H GLN A 57 0.855 -13.736 0.462 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.652 -14.870 -0.257 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.430 -14.631 -1.699 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.116 -15.975 -0.808 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.333 -17.036 -1.434 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.118 -15.958 -2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.244 -18.699 -3.067 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.318 -19.331 -3.598 1.00 0.00 H new ATOM 925 N ILE A 58 -1.895 -17.032 0.928 1.00 0.00 N ATOM 926 CA ILE A 58 -2.153 -18.179 1.781 1.00 0.00 C ATOM 927 C ILE A 58 -1.548 -19.430 1.141 1.00 0.00 C ATOM 928 O ILE A 58 -1.715 -19.662 -0.055 1.00 0.00 O ATOM 929 CB ILE A 58 -3.649 -18.301 2.078 1.00 0.00 C ATOM 930 CG1 ILE A 58 -4.210 -16.985 2.621 1.00 0.00 C ATOM 931 CG2 ILE A 58 -3.927 -19.475 3.019 1.00 0.00 C ATOM 932 CD1 ILE A 58 -4.081 -16.922 4.145 1.00 0.00 C ATOM 0 H ILE A 58 -2.624 -16.839 0.241 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.670 -18.050 2.750 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.167 -18.509 1.142 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.678 -16.146 2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.258 -16.887 2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.997 -19.539 3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.586 -20.401 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.396 -19.322 3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.487 -15.977 4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.634 -17.748 4.591 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.030 -16.996 4.425 1.00 0.00 H new ATOM 944 N PHE A 59 -0.861 -20.206 1.967 1.00 0.00 N ATOM 945 CA PHE A 59 -0.231 -21.428 1.496 1.00 0.00 C ATOM 946 C PHE A 59 -1.252 -22.562 1.384 1.00 0.00 C ATOM 947 O PHE A 59 -1.283 -23.277 0.384 1.00 0.00 O ATOM 948 CB PHE A 59 0.829 -21.811 2.530 1.00 0.00 C ATOM 949 CG PHE A 59 1.477 -23.175 2.282 1.00 0.00 C ATOM 950 CD1 PHE A 59 0.940 -24.294 2.837 1.00 0.00 C ATOM 951 CD2 PHE A 59 2.588 -23.268 1.504 1.00 0.00 C ATOM 952 CE1 PHE A 59 1.541 -25.560 2.605 1.00 0.00 C ATOM 953 CE2 PHE A 59 3.190 -24.533 1.273 1.00 0.00 C ATOM 954 CZ PHE A 59 2.654 -25.652 1.828 1.00 0.00 C ATOM 0 H PHE A 59 -0.727 -20.012 2.959 1.00 0.00 H new ATOM 0 HA PHE A 59 0.203 -21.268 0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.606 -21.047 2.538 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.373 -21.812 3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.057 -24.220 3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.013 -22.379 1.061 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.115 -26.449 3.045 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.074 -24.606 0.656 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.112 -26.614 1.652 1.00 0.00 H new ATOM 964 N GLY A 60 -2.062 -22.692 2.425 1.00 0.00 N ATOM 965 CA GLY A 60 -3.080 -23.727 2.455 1.00 0.00 C ATOM 966 C GLY A 60 -3.715 -23.912 1.075 1.00 0.00 C ATOM 967 O GLY A 60 -3.835 -25.035 0.589 1.00 0.00 O ATOM 0 H GLY A 60 -2.033 -22.097 3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.638 -24.667 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.849 -23.464 3.181 1.00 0.00 H new ATOM 971 N LYS A 61 -4.105 -22.792 0.483 1.00 0.00 N ATOM 972 CA LYS A 61 -4.725 -22.817 -0.831 1.00 0.00 C ATOM 973 C LYS A 61 -4.285 -21.583 -1.621 1.00 0.00 C ATOM 974 O LYS A 61 -3.237 -21.004 -1.341 1.00 0.00 O ATOM 975 CB LYS A 61 -6.243 -22.958 -0.705 1.00 0.00 C ATOM 976 CG LYS A 61 -6.876 -21.650 -0.224 1.00 0.00 C ATOM 977 CD LYS A 61 -8.394 -21.672 -0.418 1.00 0.00 C ATOM 978 CE LYS A 61 -9.108 -22.054 0.880 1.00 0.00 C ATOM 979 NZ LYS A 61 -10.369 -21.293 1.020 1.00 0.00 N ATOM 0 H LYS A 61 -4.004 -21.862 0.889 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.393 -23.690 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.667 -23.239 -1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.481 -23.760 -0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.643 -21.495 0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.448 -20.811 -0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.736 -20.692 -0.750 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.654 -22.383 -1.203 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.319 -23.123 0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.459 -21.853 1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.009 -21.797 1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.164 -20.348 1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.822 -21.198 0.089 1.00 0.00 H new ATOM 992 N LEU A 62 -5.108 -21.217 -2.592 1.00 0.00 N ATOM 993 CA LEU A 62 -4.816 -20.062 -3.425 1.00 0.00 C ATOM 994 C LEU A 62 -5.508 -18.829 -2.838 1.00 0.00 C ATOM 995 O LEU A 62 -6.040 -18.001 -3.577 1.00 0.00 O ATOM 996 CB LEU A 62 -5.191 -20.343 -4.881 1.00 0.00 C ATOM 997 CG LEU A 62 -4.664 -21.655 -5.468 1.00 0.00 C ATOM 998 CD1 LEU A 62 -5.700 -22.296 -6.395 1.00 0.00 C ATOM 999 CD2 LEU A 62 -3.322 -21.441 -6.169 1.00 0.00 C ATOM 0 H LEU A 62 -5.977 -21.699 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.746 -19.856 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.278 -20.342 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.825 -19.520 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.491 -22.352 -4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.301 -23.226 -6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.611 -22.505 -5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.927 -21.613 -7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.970 -22.388 -6.577 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.445 -20.721 -6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.594 -21.061 -5.452 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.479 -18.746 -1.517 1.00 0.00 N ATOM 1012 CA GLU A 63 -6.096 -17.628 -0.824 1.00 0.00 C ATOM 1013 C GLU A 63 -5.042 -16.580 -0.461 1.00 0.00 C ATOM 1014 O GLU A 63 -3.844 -16.860 -0.502 1.00 0.00 O ATOM 1015 CB GLU A 63 -6.849 -18.103 0.421 1.00 0.00 C ATOM 1016 CG GLU A 63 -7.963 -17.123 0.795 1.00 0.00 C ATOM 1017 CD GLU A 63 -9.310 -17.841 0.901 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -9.836 -18.012 2.011 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -9.813 -18.226 -0.222 1.00 0.00 O ATOM 0 H GLU A 63 -5.038 -19.435 -0.908 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.822 -17.167 -1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.274 -19.090 0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.154 -18.204 1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.727 -16.643 1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.025 -16.334 0.046 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.525 -15.397 -0.112 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.638 -14.307 0.258 1.00 0.00 C ATOM 1029 C ALA A 64 -5.367 -13.367 1.220 1.00 0.00 C ATOM 1030 O ALA A 64 -6.511 -12.986 0.974 1.00 0.00 O ATOM 1031 CB ALA A 64 -4.156 -13.590 -1.004 1.00 0.00 C ATOM 0 H ALA A 64 -6.519 -15.169 -0.078 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.756 -14.688 0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.491 -12.772 -0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.620 -14.294 -1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.014 -13.192 -1.546 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.677 -13.020 2.295 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.244 -12.132 3.295 1.00 0.00 C ATOM 1039 C GLU A 65 -4.460 -10.819 3.346 1.00 0.00 C ATOM 1040 O GLU A 65 -3.234 -10.820 3.255 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.276 -12.803 4.670 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.207 -12.053 5.625 1.00 0.00 C ATOM 1043 CD GLU A 65 -5.694 -12.130 7.063 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -5.251 -11.113 7.620 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -5.767 -13.298 7.607 1.00 0.00 O ATOM 0 H GLU A 65 -3.729 -13.338 2.496 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.272 -11.908 3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.610 -13.835 4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.269 -12.834 5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.285 -11.010 5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.209 -12.477 5.569 1.00 0.00 H new ATOM 1053 N GLY A 66 -5.201 -9.730 3.489 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.592 -8.413 3.551 1.00 0.00 C ATOM 1055 C GLY A 66 -5.503 -7.420 4.277 1.00 0.00 C ATOM 1056 O GLY A 66 -6.678 -7.702 4.501 1.00 0.00 O ATOM 0 H GLY A 66 -6.218 -9.733 3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.633 -8.476 4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.389 -8.055 2.542 1.00 0.00 H new ATOM 1060 N TYR A 67 -4.924 -6.280 4.623 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.669 -5.244 5.319 1.00 0.00 C ATOM 1062 C TYR A 67 -5.704 -3.951 4.502 1.00 0.00 C ATOM 1063 O TYR A 67 -4.699 -3.559 3.910 1.00 0.00 O ATOM 1064 CB TYR A 67 -4.916 -4.988 6.625 1.00 0.00 C ATOM 1065 CG TYR A 67 -5.817 -4.589 7.796 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -6.588 -3.446 7.714 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -5.860 -5.370 8.932 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -7.437 -3.070 8.815 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -6.709 -4.993 10.033 1.00 0.00 C ATOM 1070 CZ TYR A 67 -7.455 -3.862 9.921 1.00 0.00 C ATOM 1071 OH TYR A 67 -8.257 -3.506 10.960 1.00 0.00 O ATOM 0 H TYR A 67 -3.948 -6.051 4.435 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.699 -5.559 5.486 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.363 -5.887 6.896 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.181 -4.200 6.460 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.554 -2.834 6.825 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.257 -6.264 8.996 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.046 -2.179 8.764 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.752 -5.596 10.928 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.169 -4.164 11.681 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.870 -3.323 4.496 1.00 0.00 N ATOM 1082 CA ALA A 68 -7.048 -2.081 3.763 1.00 0.00 C ATOM 1083 C ALA A 68 -7.183 -0.923 4.753 1.00 0.00 C ATOM 1084 O ALA A 68 -7.797 -1.072 5.808 1.00 0.00 O ATOM 1085 CB ALA A 68 -8.262 -2.203 2.840 1.00 0.00 C ATOM 0 H ALA A 68 -7.702 -3.651 4.987 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.180 -1.878 3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.396 -1.272 2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.103 -3.020 2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.153 -2.404 3.435 1.00 0.00 H new ATOM 1091 N LYS A 69 -6.598 0.205 4.377 1.00 0.00 N ATOM 1092 CA LYS A 69 -6.645 1.389 5.219 1.00 0.00 C ATOM 1093 C LYS A 69 -7.003 2.605 4.363 1.00 0.00 C ATOM 1094 O LYS A 69 -6.601 2.692 3.204 1.00 0.00 O ATOM 1095 CB LYS A 69 -5.334 1.547 5.994 1.00 0.00 C ATOM 1096 CG LYS A 69 -5.309 2.869 6.763 1.00 0.00 C ATOM 1097 CD LYS A 69 -4.702 3.987 5.913 1.00 0.00 C ATOM 1098 CE LYS A 69 -3.178 4.008 6.043 1.00 0.00 C ATOM 1099 NZ LYS A 69 -2.724 5.297 6.610 1.00 0.00 N ATOM 0 H LYS A 69 -6.089 0.324 3.501 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.425 1.289 5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.215 0.716 6.689 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.492 1.508 5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.322 3.141 7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.731 2.750 7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.980 3.846 4.868 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.111 4.948 6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.850 3.188 6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.722 3.853 5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.813 5.162 7.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.611 5.992 5.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.429 5.644 7.291 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.755 3.513 4.968 1.00 0.00 N ATOM 1113 CA ILE A 70 -8.173 4.719 4.274 1.00 0.00 C ATOM 1114 C ILE A 70 -7.974 5.925 5.196 1.00 0.00 C ATOM 1115 O ILE A 70 -8.304 5.867 6.379 1.00 0.00 O ATOM 1116 CB ILE A 70 -9.604 4.572 3.755 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -9.676 3.531 2.635 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -10.171 5.924 3.319 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -11.118 3.082 2.396 1.00 0.00 C ATOM 0 H ILE A 70 -8.085 3.438 5.930 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.555 4.884 3.391 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.229 4.210 4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.265 3.951 1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.061 2.669 2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.189 5.791 2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -10.176 6.607 4.168 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.552 6.339 2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.141 2.343 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.518 2.641 3.309 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.725 3.942 2.113 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.437 6.989 4.617 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.191 8.207 5.372 1.00 0.00 C ATOM 1133 C TYR A 71 -8.081 9.348 4.875 1.00 0.00 C ATOM 1134 O TYR A 71 -8.918 9.151 3.996 1.00 0.00 O ATOM 1135 CB TYR A 71 -5.726 8.570 5.119 1.00 0.00 C ATOM 1136 CG TYR A 71 -4.970 9.012 6.374 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -4.833 10.355 6.660 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -4.424 8.067 7.218 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -4.120 10.770 7.841 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -3.712 8.482 8.399 1.00 0.00 C ATOM 1141 CZ TYR A 71 -3.596 9.814 8.652 1.00 0.00 C ATOM 1142 OH TYR A 71 -2.923 10.205 9.767 1.00 0.00 O ATOM 0 H TYR A 71 -7.165 7.033 3.635 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.407 8.055 6.429 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.218 7.708 4.686 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.683 9.370 4.380 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.260 11.095 5.999 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.531 7.016 6.993 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.005 11.818 8.077 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.280 7.753 9.068 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.605 9.415 10.251 1.00 0.00 H new ATOM 1152 N ASN A 72 -7.868 10.518 5.460 1.00 0.00 N ATOM 1153 CA ASN A 72 -8.641 11.691 5.088 1.00 0.00 C ATOM 1154 C ASN A 72 -7.723 12.702 4.397 1.00 0.00 C ATOM 1155 O ASN A 72 -8.017 13.160 3.294 1.00 0.00 O ATOM 1156 CB ASN A 72 -9.245 12.366 6.321 1.00 0.00 C ATOM 1157 CG ASN A 72 -10.685 11.903 6.549 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -11.575 12.138 5.748 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -10.865 11.233 7.684 1.00 0.00 N ATOM 0 H ASN A 72 -7.172 10.679 6.188 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.443 11.370 4.423 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.642 12.135 7.199 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.223 13.448 6.195 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.791 10.882 7.927 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.077 11.071 8.311 1.00 0.00 H new ATOM 1166 N ASP A 73 -6.632 13.023 5.076 1.00 0.00 N ATOM 1167 CA ASP A 73 -5.669 13.971 4.541 1.00 0.00 C ATOM 1168 C ASP A 73 -4.258 13.405 4.702 1.00 0.00 C ATOM 1169 O ASP A 73 -3.836 13.084 5.813 1.00 0.00 O ATOM 1170 CB ASP A 73 -5.732 15.302 5.293 1.00 0.00 C ATOM 1171 CG ASP A 73 -6.578 15.286 6.568 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -6.119 14.847 7.633 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -7.772 15.756 6.436 1.00 0.00 O ATOM 0 H ASP A 73 -6.393 12.644 5.992 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.908 14.137 3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.717 15.604 5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.129 16.063 4.621 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.566 13.297 3.578 1.00 0.00 N ATOM 1180 CA GLU A 74 -2.210 12.774 3.579 1.00 0.00 C ATOM 1181 C GLU A 74 -1.311 13.634 4.472 1.00 0.00 C ATOM 1182 O GLU A 74 -0.245 13.190 4.896 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.652 12.691 2.158 1.00 0.00 C ATOM 1184 CG GLU A 74 -2.570 11.861 1.257 1.00 0.00 C ATOM 1185 CD GLU A 74 -2.437 12.291 -0.206 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -1.741 11.624 -0.987 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -3.087 13.359 -0.522 1.00 0.00 O ATOM 0 H GLU A 74 -3.919 13.563 2.659 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.232 11.762 3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.543 13.695 1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.657 12.246 2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.321 10.804 1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.604 11.976 1.581 1.00 0.00 H new ATOM 1195 N LYS A 75 -1.774 14.848 4.729 1.00 0.00 N ATOM 1196 CA LYS A 75 -1.026 15.773 5.562 1.00 0.00 C ATOM 1197 C LYS A 75 -0.807 15.149 6.942 1.00 0.00 C ATOM 1198 O LYS A 75 0.288 15.225 7.496 1.00 0.00 O ATOM 1199 CB LYS A 75 -1.720 17.135 5.608 1.00 0.00 C ATOM 1200 CG LYS A 75 -1.558 17.878 4.280 1.00 0.00 C ATOM 1201 CD LYS A 75 -0.317 18.774 4.301 1.00 0.00 C ATOM 1202 CE LYS A 75 0.963 17.939 4.220 1.00 0.00 C ATOM 1203 NZ LYS A 75 2.053 18.720 3.594 1.00 0.00 N ATOM 0 H LYS A 75 -2.658 15.213 4.375 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.040 15.957 5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.779 17.000 5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.301 17.733 6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.478 17.159 3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.444 18.482 4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.354 19.472 3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.310 19.370 5.214 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.262 17.623 5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.778 17.034 3.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.914 18.138 3.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.772 19.000 2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.241 19.571 4.162 1.00 0.00 H new ATOM 1216 N ALA A 76 -1.868 14.544 7.457 1.00 0.00 N ATOM 1217 CA ALA A 76 -1.806 13.906 8.761 1.00 0.00 C ATOM 1218 C ALA A 76 -1.060 12.576 8.639 1.00 0.00 C ATOM 1219 O ALA A 76 -0.106 12.326 9.374 1.00 0.00 O ATOM 1220 CB ALA A 76 -3.223 13.731 9.311 1.00 0.00 C ATOM 0 H ALA A 76 -2.775 14.482 6.995 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.256 14.528 9.467 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.177 13.252 10.289 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.699 14.707 9.406 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.803 13.109 8.630 1.00 0.00 H new ATOM 1226 N MET A 77 -1.522 11.758 7.705 1.00 0.00 N ATOM 1227 CA MET A 77 -0.911 10.460 7.477 1.00 0.00 C ATOM 1228 C MET A 77 0.590 10.600 7.218 1.00 0.00 C ATOM 1229 O MET A 77 1.397 9.901 7.831 1.00 0.00 O ATOM 1230 CB MET A 77 -1.576 9.786 6.274 1.00 0.00 C ATOM 1231 CG MET A 77 -0.616 8.808 5.595 1.00 0.00 C ATOM 1232 SD MET A 77 -1.541 7.571 4.697 1.00 0.00 S ATOM 1233 CE MET A 77 -0.653 7.586 3.148 1.00 0.00 C ATOM 0 H MET A 77 -2.313 11.969 7.097 1.00 0.00 H new ATOM 0 HA MET A 77 -1.052 9.851 8.370 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.472 9.256 6.598 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.895 10.544 5.559 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.044 9.346 4.914 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.018 8.330 6.342 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.361 7.665 2.323 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.026 8.439 3.126 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.081 6.664 3.048 1.00 0.00 H new ATOM 1243 N ALA A 78 0.920 11.506 6.310 1.00 0.00 N ATOM 1244 CA ALA A 78 2.311 11.745 5.963 1.00 0.00 C ATOM 1245 C ALA A 78 3.116 11.989 7.240 1.00 0.00 C ATOM 1246 O ALA A 78 4.307 11.685 7.295 1.00 0.00 O ATOM 1247 CB ALA A 78 2.398 12.920 4.986 1.00 0.00 C ATOM 0 H ALA A 78 0.249 12.084 5.804 1.00 0.00 H new ATOM 0 HA ALA A 78 2.738 10.874 5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.441 13.100 4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.834 12.685 4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.981 13.813 5.453 1.00 0.00 H new ATOM 1253 N THR A 79 2.434 12.534 8.237 1.00 0.00 N ATOM 1254 CA THR A 79 3.072 12.823 9.511 1.00 0.00 C ATOM 1255 C THR A 79 2.919 11.635 10.464 1.00 0.00 C ATOM 1256 O THR A 79 3.906 11.004 10.837 1.00 0.00 O ATOM 1257 CB THR A 79 2.473 14.120 10.056 1.00 0.00 C ATOM 1258 OG1 THR A 79 3.076 15.141 9.264 1.00 0.00 O ATOM 1259 CG2 THR A 79 2.942 14.429 11.479 1.00 0.00 C ATOM 0 H THR A 79 1.446 12.783 8.189 1.00 0.00 H new ATOM 0 HA THR A 79 4.146 12.969 9.392 1.00 0.00 H new ATOM 0 HB THR A 79 1.385 14.052 10.038 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.742 16.017 9.550 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.487 15.360 11.818 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.646 13.618 12.144 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.027 14.530 11.491 1.00 0.00 H new ATOM 1267 N ILE A 80 1.674 11.367 10.829 1.00 0.00 N ATOM 1268 CA ILE A 80 1.379 10.267 11.730 1.00 0.00 C ATOM 1269 C ILE A 80 2.147 9.023 11.279 1.00 0.00 C ATOM 1270 O ILE A 80 3.086 8.592 11.948 1.00 0.00 O ATOM 1271 CB ILE A 80 -0.132 10.051 11.838 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -0.770 11.092 12.762 1.00 0.00 C ATOM 1273 CG2 ILE A 80 -0.452 8.622 12.277 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -2.252 10.789 12.987 1.00 0.00 C ATOM 0 H ILE A 80 0.858 11.893 10.517 1.00 0.00 H new ATOM 0 HA ILE A 80 1.716 10.502 12.739 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.568 10.188 10.849 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.248 11.103 13.719 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.660 12.086 12.327 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.532 8.496 12.346 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.050 7.919 11.548 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.002 8.431 13.251 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.681 11.543 13.647 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.775 10.803 12.031 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.357 9.805 13.444 1.00 0.00 H new ATOM 1286 N GLU A 81 1.720 8.482 10.148 1.00 0.00 N ATOM 1287 CA GLU A 81 2.356 7.296 9.599 1.00 0.00 C ATOM 1288 C GLU A 81 3.845 7.556 9.357 1.00 0.00 C ATOM 1289 O GLU A 81 4.287 8.703 9.363 1.00 0.00 O ATOM 1290 CB GLU A 81 1.661 6.847 8.312 1.00 0.00 C ATOM 1291 CG GLU A 81 0.656 5.729 8.593 1.00 0.00 C ATOM 1292 CD GLU A 81 -0.622 6.286 9.223 1.00 0.00 C ATOM 1293 OE1 GLU A 81 -0.993 5.879 10.335 1.00 0.00 O ATOM 1294 OE2 GLU A 81 -1.237 7.173 8.517 1.00 0.00 O ATOM 0 H GLU A 81 0.941 8.843 9.596 1.00 0.00 H new ATOM 0 HA GLU A 81 2.262 6.488 10.324 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.149 7.695 7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.405 6.500 7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.413 5.212 7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.103 4.992 9.260 1.00 0.00 H new ATOM 1302 N THR A 82 4.575 6.470 9.148 1.00 0.00 N ATOM 1303 CA THR A 82 6.005 6.566 8.905 1.00 0.00 C ATOM 1304 C THR A 82 6.341 6.057 7.502 1.00 0.00 C ATOM 1305 O THR A 82 5.467 5.567 6.789 1.00 0.00 O ATOM 1306 CB THR A 82 6.727 5.803 10.018 1.00 0.00 C ATOM 1307 OG1 THR A 82 6.118 4.515 10.007 1.00 0.00 O ATOM 1308 CG2 THR A 82 6.406 6.355 11.408 1.00 0.00 C ATOM 0 H THR A 82 4.204 5.520 9.142 1.00 0.00 H new ATOM 0 HA THR A 82 6.343 7.602 8.931 1.00 0.00 H new ATOM 0 HB THR A 82 7.803 5.846 9.849 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.528 3.953 10.698 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.943 5.779 12.161 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.712 7.400 11.464 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.334 6.280 11.590 1.00 0.00 H new ATOM 1316 N LYS A 83 7.611 6.192 7.147 1.00 0.00 N ATOM 1317 CA LYS A 83 8.074 5.751 5.842 1.00 0.00 C ATOM 1318 C LYS A 83 7.601 4.318 5.595 1.00 0.00 C ATOM 1319 O LYS A 83 7.429 3.906 4.449 1.00 0.00 O ATOM 1320 CB LYS A 83 9.589 5.928 5.725 1.00 0.00 C ATOM 1321 CG LYS A 83 10.331 4.866 6.540 1.00 0.00 C ATOM 1322 CD LYS A 83 10.811 5.436 7.875 1.00 0.00 C ATOM 1323 CE LYS A 83 12.268 5.893 7.784 1.00 0.00 C ATOM 1324 NZ LYS A 83 12.373 7.346 8.045 1.00 0.00 N ATOM 0 H LYS A 83 8.333 6.600 7.740 1.00 0.00 H new ATOM 0 HA LYS A 83 7.642 6.369 5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.887 5.862 4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.870 6.921 6.074 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.674 4.015 6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.184 4.496 5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.180 6.277 8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.711 4.680 8.654 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.873 5.343 8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.665 5.666 6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.369 7.639 7.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.811 7.867 7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.013 7.554 8.998 1.00 0.00 H new ATOM 1337 N SER A 84 7.404 3.596 6.689 1.00 0.00 N ATOM 1338 CA SER A 84 6.954 2.218 6.605 1.00 0.00 C ATOM 1339 C SER A 84 5.635 2.143 5.832 1.00 0.00 C ATOM 1340 O SER A 84 5.464 1.280 4.972 1.00 0.00 O ATOM 1341 CB SER A 84 6.787 1.607 7.997 1.00 0.00 C ATOM 1342 OG SER A 84 7.314 0.285 8.067 1.00 0.00 O ATOM 0 H SER A 84 7.548 3.940 7.638 1.00 0.00 H new ATOM 0 HA SER A 84 7.713 1.644 6.074 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.289 2.237 8.732 1.00 0.00 H new ATOM 0 HB3 SER A 84 5.730 1.590 8.261 1.00 0.00 H new ATOM 0 HG SER A 84 7.190 -0.069 8.972 1.00 0.00 H new ATOM 1348 N VAL A 85 4.739 3.060 6.165 1.00 0.00 N ATOM 1349 CA VAL A 85 3.441 3.109 5.512 1.00 0.00 C ATOM 1350 C VAL A 85 3.584 3.803 4.156 1.00 0.00 C ATOM 1351 O VAL A 85 3.234 3.234 3.123 1.00 0.00 O ATOM 1352 CB VAL A 85 2.421 3.788 6.427 1.00 0.00 C ATOM 1353 CG1 VAL A 85 1.134 4.114 5.666 1.00 0.00 C ATOM 1354 CG2 VAL A 85 2.127 2.924 7.656 1.00 0.00 C ATOM 0 H VAL A 85 4.885 3.775 6.878 1.00 0.00 H new ATOM 0 HA VAL A 85 3.069 2.102 5.324 1.00 0.00 H new ATOM 0 HB VAL A 85 2.853 4.727 6.773 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.425 4.596 6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.361 4.785 4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.697 3.194 5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.399 3.429 8.290 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.725 1.962 7.337 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.048 2.764 8.217 1.00 0.00 H new ATOM 1364 N LEU A 86 4.098 5.023 4.204 1.00 0.00 N ATOM 1365 CA LEU A 86 4.291 5.802 2.991 1.00 0.00 C ATOM 1366 C LEU A 86 5.089 4.975 1.981 1.00 0.00 C ATOM 1367 O LEU A 86 5.029 5.231 0.779 1.00 0.00 O ATOM 1368 CB LEU A 86 4.928 7.154 3.318 1.00 0.00 C ATOM 1369 CG LEU A 86 3.961 8.272 3.714 1.00 0.00 C ATOM 1370 CD1 LEU A 86 2.613 7.700 4.157 1.00 0.00 C ATOM 1371 CD2 LEU A 86 4.578 9.177 4.783 1.00 0.00 C ATOM 0 H LEU A 86 4.387 5.492 5.063 1.00 0.00 H new ATOM 0 HA LEU A 86 3.331 6.031 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.640 7.011 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.498 7.484 2.450 1.00 0.00 H new ATOM 0 HG LEU A 86 3.776 8.890 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.945 8.516 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.172 7.131 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.760 7.045 5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.871 9.963 5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.811 8.587 5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.492 9.627 4.396 1.00 0.00 H new ATOM 1383 N GLU A 87 5.817 4.000 2.505 1.00 0.00 N ATOM 1384 CA GLU A 87 6.625 3.134 1.664 1.00 0.00 C ATOM 1385 C GLU A 87 5.752 2.455 0.606 1.00 0.00 C ATOM 1386 O GLU A 87 6.069 2.491 -0.582 1.00 0.00 O ATOM 1387 CB GLU A 87 7.374 2.098 2.503 1.00 0.00 C ATOM 1388 CG GLU A 87 8.845 2.486 2.671 1.00 0.00 C ATOM 1389 CD GLU A 87 9.758 1.505 1.933 1.00 0.00 C ATOM 1390 OE1 GLU A 87 9.773 1.483 0.694 1.00 0.00 O ATOM 1391 OE2 GLU A 87 10.473 0.748 2.696 1.00 0.00 O ATOM 0 H GLU A 87 5.864 3.791 3.502 1.00 0.00 H new ATOM 0 HA GLU A 87 7.369 3.747 1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.904 2.009 3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.305 1.120 2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.005 3.494 2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.102 2.501 3.730 1.00 0.00 H new ATOM 1399 N LYS A 88 4.670 1.852 1.077 1.00 0.00 N ATOM 1400 CA LYS A 88 3.749 1.166 0.187 1.00 0.00 C ATOM 1401 C LYS A 88 3.392 2.089 -0.980 1.00 0.00 C ATOM 1402 O LYS A 88 3.761 1.821 -2.123 1.00 0.00 O ATOM 1403 CB LYS A 88 2.532 0.658 0.964 1.00 0.00 C ATOM 1404 CG LYS A 88 2.951 -0.327 2.057 1.00 0.00 C ATOM 1405 CD LYS A 88 2.471 0.143 3.431 1.00 0.00 C ATOM 1406 CE LYS A 88 0.943 0.209 3.485 1.00 0.00 C ATOM 1407 NZ LYS A 88 0.479 0.346 4.884 1.00 0.00 N ATOM 0 H LYS A 88 4.411 1.824 2.063 1.00 0.00 H new ATOM 0 HA LYS A 88 4.219 0.280 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.004 1.500 1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.836 0.173 0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.538 -1.313 1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.036 -0.430 2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.837 -0.537 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.889 1.126 3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.588 1.053 2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.518 -0.692 3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.471 0.770 4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.445 -0.592 5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.137 0.957 5.410 1.00 0.00 H new ATOM 1420 N ASN A 89 2.678 3.155 -0.653 1.00 0.00 N ATOM 1421 CA ASN A 89 2.267 4.119 -1.660 1.00 0.00 C ATOM 1422 C ASN A 89 3.489 4.914 -2.127 1.00 0.00 C ATOM 1423 O ASN A 89 4.036 5.716 -1.374 1.00 0.00 O ATOM 1424 CB ASN A 89 1.248 5.109 -1.091 1.00 0.00 C ATOM 1425 CG ASN A 89 0.759 6.074 -2.173 1.00 0.00 C ATOM 1426 OD1 ASN A 89 0.641 5.733 -3.339 1.00 0.00 O ATOM 1427 ND2 ASN A 89 0.483 7.295 -1.725 1.00 0.00 N ATOM 0 H ASN A 89 2.373 3.373 0.296 1.00 0.00 H new ATOM 0 HA ASN A 89 1.815 3.571 -2.487 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.401 4.565 -0.674 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.699 5.672 -0.274 1.00 0.00 H new ATOM 0 HD21 ASN A 89 0.151 8.012 -2.370 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.603 7.515 -0.736 1.00 0.00 H new