USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 834 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 GLY N :NH3+ -113:sc= 0.0821 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00196 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00955 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0017 USER MOD Single : A 17 THR OG1 : rot 80:sc= 0.163 USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00876) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 25 TYR OH : rot 148:sc= 0.742 USER MOD Single : A 27 CYS SG : rot 49:sc= 0.0286 USER MOD Single : A 29 CYS SG : rot -154:sc= 0.61 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.131 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 165:sc=-0.000406 (180deg=-0.291) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc=-0.00979 USER MOD Single : A 46 LYS NZ :NH3+ -127:sc= -1.14 (180deg=-3.25!) USER MOD Single : A 47 MET CE :methyl -137:sc= -1.01 (180deg=-4.67!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.05 X(o=-1.1,f=-1.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -2.93! C(o=-2.9!,f=-7.5!) USER MOD Single : A 70 ASN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 71 TYR OH : rot 18:sc= 0.244 USER MOD Single : A 75 THR OG1 : rot 131:sc= 0.258 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -3.02! K(o=-3!,f=-0.49) USER MOD Single : A 83 LYS NZ :NH3+ 167:sc=0.000688 (180deg=0) USER MOD Single : A 87 SER OG : rot 70:sc= 1.24 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 158:sc= -0.684 (180deg=-1.38) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0893 USER MOD Single : A 107 SER OG : rot 28:sc= 0.633 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.294 38.867 -16.887 1.00 0.00 N ATOM 2 CA GLY A 1 26.825 39.369 -15.609 1.00 0.00 C ATOM 3 C GLY A 1 26.519 38.256 -14.626 1.00 0.00 C ATOM 4 O GLY A 1 26.502 37.081 -14.993 1.00 0.00 O ATOM 0 H1 GLY A 1 28.289 39.137 -17.022 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.211 37.830 -16.904 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.718 39.273 -17.652 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.580 40.029 -15.182 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.928 39.969 -15.765 1.00 0.00 H new ATOM 8 N SER A 2 26.278 38.625 -13.372 1.00 0.00 N ATOM 9 CA SER A 2 25.976 37.648 -12.332 1.00 0.00 C ATOM 10 C SER A 2 24.762 38.081 -11.516 1.00 0.00 C ATOM 11 O SER A 2 23.829 37.303 -11.311 1.00 0.00 O ATOM 12 CB SER A 2 27.184 37.464 -11.410 1.00 0.00 C ATOM 13 OG SER A 2 27.653 38.712 -10.928 1.00 0.00 O ATOM 0 H SER A 2 26.286 39.593 -13.051 1.00 0.00 H new ATOM 0 HA SER A 2 25.748 36.698 -12.815 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.910 36.826 -10.570 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.983 36.955 -11.949 1.00 0.00 H new ATOM 0 HG SER A 2 28.424 38.567 -10.340 1.00 0.00 H new ATOM 19 N SER A 3 24.780 39.327 -11.054 1.00 0.00 N ATOM 20 CA SER A 3 23.683 39.863 -10.257 1.00 0.00 C ATOM 21 C SER A 3 22.370 39.805 -11.032 1.00 0.00 C ATOM 22 O SER A 3 22.157 40.571 -11.971 1.00 0.00 O ATOM 23 CB SER A 3 23.981 41.306 -9.844 1.00 0.00 C ATOM 24 OG SER A 3 22.817 41.948 -9.354 1.00 0.00 O ATOM 0 H SER A 3 25.542 39.984 -11.218 1.00 0.00 H new ATOM 0 HA SER A 3 23.584 39.250 -9.361 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.755 41.315 -9.077 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.372 41.858 -10.698 1.00 0.00 H new ATOM 0 HG SER A 3 23.035 42.868 -9.096 1.00 0.00 H new ATOM 30 N GLY A 4 21.492 38.890 -10.631 1.00 0.00 N ATOM 31 CA GLY A 4 20.211 38.748 -11.298 1.00 0.00 C ATOM 32 C GLY A 4 19.181 38.051 -10.432 1.00 0.00 C ATOM 33 O GLY A 4 19.018 38.386 -9.259 1.00 0.00 O ATOM 0 H GLY A 4 21.645 38.245 -9.856 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.839 39.734 -11.577 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.346 38.185 -12.221 1.00 0.00 H new ATOM 37 N SER A 5 18.482 37.081 -11.012 1.00 0.00 N ATOM 38 CA SER A 5 17.458 36.338 -10.287 1.00 0.00 C ATOM 39 C SER A 5 17.367 34.902 -10.793 1.00 0.00 C ATOM 40 O SER A 5 17.324 34.659 -11.999 1.00 0.00 O ATOM 41 CB SER A 5 16.101 37.028 -10.431 1.00 0.00 C ATOM 42 OG SER A 5 16.161 38.371 -9.980 1.00 0.00 O ATOM 0 H SER A 5 18.606 36.791 -11.982 1.00 0.00 H new ATOM 0 HA SER A 5 17.737 36.316 -9.234 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.787 37.005 -11.474 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.350 36.483 -9.860 1.00 0.00 H new ATOM 0 HG SER A 5 15.282 38.791 -10.084 1.00 0.00 H new ATOM 48 N SER A 6 17.339 33.953 -9.862 1.00 0.00 N ATOM 49 CA SER A 6 17.257 32.540 -10.212 1.00 0.00 C ATOM 50 C SER A 6 16.394 32.338 -11.453 1.00 0.00 C ATOM 51 O SER A 6 16.844 31.777 -12.452 1.00 0.00 O ATOM 52 CB SER A 6 16.686 31.735 -9.043 1.00 0.00 C ATOM 53 OG SER A 6 17.505 31.855 -7.893 1.00 0.00 O ATOM 0 H SER A 6 17.372 34.138 -8.859 1.00 0.00 H new ATOM 0 HA SER A 6 18.265 32.186 -10.429 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.679 32.084 -8.814 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.603 30.686 -9.326 1.00 0.00 H new ATOM 0 HG SER A 6 17.118 31.333 -7.160 1.00 0.00 H new ATOM 59 N GLY A 7 15.148 32.799 -11.383 1.00 0.00 N ATOM 60 CA GLY A 7 14.241 32.659 -12.507 1.00 0.00 C ATOM 61 C GLY A 7 12.787 32.799 -12.098 1.00 0.00 C ATOM 62 O GLY A 7 12.017 33.498 -12.755 1.00 0.00 O ATOM 0 H GLY A 7 14.751 33.267 -10.568 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.478 33.413 -13.258 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.392 31.685 -12.973 1.00 0.00 H new ATOM 66 N MET A 8 12.412 32.131 -11.013 1.00 0.00 N ATOM 67 CA MET A 8 11.041 32.184 -10.518 1.00 0.00 C ATOM 68 C MET A 8 10.992 32.775 -9.113 1.00 0.00 C ATOM 69 O MET A 8 12.022 32.917 -8.452 1.00 0.00 O ATOM 70 CB MET A 8 10.422 30.786 -10.519 1.00 0.00 C ATOM 71 CG MET A 8 9.795 30.398 -11.848 1.00 0.00 C ATOM 72 SD MET A 8 8.197 31.187 -12.118 1.00 0.00 S ATOM 73 CE MET A 8 7.593 30.255 -13.524 1.00 0.00 C ATOM 0 H MET A 8 13.038 31.546 -10.459 1.00 0.00 H new ATOM 0 HA MET A 8 10.466 32.828 -11.183 1.00 0.00 H new ATOM 0 HB2 MET A 8 11.191 30.057 -10.263 1.00 0.00 H new ATOM 0 HB3 MET A 8 9.662 30.734 -9.739 1.00 0.00 H new ATOM 0 HG2 MET A 8 10.472 30.670 -12.658 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.672 29.316 -11.885 1.00 0.00 H new ATOM 0 HE1 MET A 8 6.609 30.626 -13.811 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.283 30.370 -14.360 1.00 0.00 H new ATOM 0 HE3 MET A 8 7.519 29.201 -13.257 1.00 0.00 H new ATOM 83 N SER A 9 9.790 33.119 -8.662 1.00 0.00 N ATOM 84 CA SER A 9 9.608 33.698 -7.335 1.00 0.00 C ATOM 85 C SER A 9 10.310 32.855 -6.274 1.00 0.00 C ATOM 86 O SER A 9 10.347 31.628 -6.364 1.00 0.00 O ATOM 87 CB SER A 9 8.119 33.815 -7.007 1.00 0.00 C ATOM 88 OG SER A 9 7.415 34.458 -8.057 1.00 0.00 O ATOM 0 H SER A 9 8.928 33.007 -9.195 1.00 0.00 H new ATOM 0 HA SER A 9 10.052 34.694 -7.335 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.701 32.822 -6.839 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.990 34.376 -6.081 1.00 0.00 H new ATOM 0 HG SER A 9 6.465 34.519 -7.824 1.00 0.00 H new ATOM 94 N VAL A 10 10.864 33.524 -5.268 1.00 0.00 N ATOM 95 CA VAL A 10 11.564 32.839 -4.188 1.00 0.00 C ATOM 96 C VAL A 10 10.648 31.843 -3.486 1.00 0.00 C ATOM 97 O VAL A 10 11.102 30.818 -2.976 1.00 0.00 O ATOM 98 CB VAL A 10 12.109 33.839 -3.150 1.00 0.00 C ATOM 99 CG1 VAL A 10 10.989 34.718 -2.616 1.00 0.00 C ATOM 100 CG2 VAL A 10 12.806 33.101 -2.017 1.00 0.00 C ATOM 0 H VAL A 10 10.842 34.540 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 10 12.400 32.304 -4.640 1.00 0.00 H new ATOM 0 HB VAL A 10 12.840 34.483 -3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.393 35.418 -1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.538 35.273 -3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.232 34.094 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.185 33.822 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.097 32.433 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.636 32.519 -2.418 1.00 0.00 H new ATOM 110 N ASP A 11 9.355 32.150 -3.463 1.00 0.00 N ATOM 111 CA ASP A 11 8.374 31.280 -2.824 1.00 0.00 C ATOM 112 C ASP A 11 7.943 30.163 -3.769 1.00 0.00 C ATOM 113 O ASP A 11 7.256 29.225 -3.364 1.00 0.00 O ATOM 114 CB ASP A 11 7.156 32.090 -2.380 1.00 0.00 C ATOM 115 CG ASP A 11 6.068 31.220 -1.782 1.00 0.00 C ATOM 116 OD1 ASP A 11 6.123 30.958 -0.562 1.00 0.00 O ATOM 117 OD2 ASP A 11 5.163 30.799 -2.533 1.00 0.00 O ATOM 0 H ASP A 11 8.962 32.994 -3.879 1.00 0.00 H new ATOM 0 HA ASP A 11 8.839 30.830 -1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.466 32.834 -1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.754 32.633 -3.235 1.00 0.00 H new ATOM 122 N ALA A 12 8.348 30.271 -5.030 1.00 0.00 N ATOM 123 CA ALA A 12 8.004 29.269 -6.031 1.00 0.00 C ATOM 124 C ALA A 12 8.324 27.864 -5.535 1.00 0.00 C ATOM 125 O ALA A 12 7.522 26.943 -5.687 1.00 0.00 O ATOM 126 CB ALA A 12 8.738 29.552 -7.334 1.00 0.00 C ATOM 0 H ALA A 12 8.915 31.042 -5.383 1.00 0.00 H new ATOM 0 HA ALA A 12 6.931 29.325 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.472 28.796 -8.073 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.455 30.537 -7.705 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.814 29.526 -7.159 1.00 0.00 H new ATOM 132 N VAL A 13 9.503 27.705 -4.942 1.00 0.00 N ATOM 133 CA VAL A 13 9.930 26.411 -4.423 1.00 0.00 C ATOM 134 C VAL A 13 9.064 25.979 -3.244 1.00 0.00 C ATOM 135 O VAL A 13 8.969 24.793 -2.934 1.00 0.00 O ATOM 136 CB VAL A 13 11.404 26.443 -3.978 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.679 27.674 -3.128 1.00 0.00 C ATOM 138 CG2 VAL A 13 11.760 25.172 -3.223 1.00 0.00 C ATOM 0 H VAL A 13 10.180 28.457 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 13 9.819 25.692 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 13 12.033 26.498 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.725 27.679 -2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.466 28.572 -3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.043 27.654 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.805 25.212 -2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.126 25.083 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.604 24.309 -3.870 1.00 0.00 H new ATOM 148 N GLU A 14 8.436 26.951 -2.591 1.00 0.00 N ATOM 149 CA GLU A 14 7.577 26.671 -1.446 1.00 0.00 C ATOM 150 C GLU A 14 6.343 25.880 -1.871 1.00 0.00 C ATOM 151 O GLU A 14 5.961 24.907 -1.218 1.00 0.00 O ATOM 152 CB GLU A 14 7.152 27.975 -0.768 1.00 0.00 C ATOM 153 CG GLU A 14 6.618 27.781 0.641 1.00 0.00 C ATOM 154 CD GLU A 14 7.718 27.758 1.685 1.00 0.00 C ATOM 155 OE1 GLU A 14 8.688 28.531 1.542 1.00 0.00 O ATOM 156 OE2 GLU A 14 7.609 26.966 2.644 1.00 0.00 O ATOM 0 H GLU A 14 8.506 27.939 -2.835 1.00 0.00 H new ATOM 0 HA GLU A 14 8.146 26.070 -0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.005 28.652 -0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.386 28.458 -1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.918 28.584 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.058 26.847 0.688 1.00 0.00 H new ATOM 163 N ILE A 15 5.726 26.303 -2.968 1.00 0.00 N ATOM 164 CA ILE A 15 4.537 25.635 -3.481 1.00 0.00 C ATOM 165 C ILE A 15 4.853 24.210 -3.921 1.00 0.00 C ATOM 166 O ILE A 15 4.008 23.321 -3.830 1.00 0.00 O ATOM 167 CB ILE A 15 3.926 26.404 -4.668 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.426 26.119 -4.772 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.632 26.026 -5.962 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.748 26.858 -5.904 1.00 0.00 C ATOM 0 H ILE A 15 6.030 27.106 -3.519 1.00 0.00 H new ATOM 0 HA ILE A 15 3.814 25.609 -2.666 1.00 0.00 H new ATOM 0 HB ILE A 15 4.063 27.472 -4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.276 25.048 -4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.946 26.392 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.190 26.577 -6.792 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.691 26.274 -5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.522 24.956 -6.137 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.687 26.608 -5.918 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.866 27.932 -5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.201 26.567 -6.852 1.00 0.00 H new ATOM 182 N GLU A 16 6.077 24.001 -4.396 1.00 0.00 N ATOM 183 CA GLU A 16 6.505 22.683 -4.849 1.00 0.00 C ATOM 184 C GLU A 16 6.823 21.777 -3.663 1.00 0.00 C ATOM 185 O GLU A 16 6.597 20.567 -3.713 1.00 0.00 O ATOM 186 CB GLU A 16 7.733 22.804 -5.755 1.00 0.00 C ATOM 187 CG GLU A 16 7.661 23.973 -6.723 1.00 0.00 C ATOM 188 CD GLU A 16 8.472 23.738 -7.982 1.00 0.00 C ATOM 189 OE1 GLU A 16 8.485 22.590 -8.474 1.00 0.00 O ATOM 190 OE2 GLU A 16 9.094 24.702 -8.476 1.00 0.00 O ATOM 0 H GLU A 16 6.789 24.727 -4.477 1.00 0.00 H new ATOM 0 HA GLU A 16 5.687 22.239 -5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.623 22.911 -5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.849 21.880 -6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.620 24.152 -6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.021 24.874 -6.226 1.00 0.00 H new ATOM 197 N THR A 17 7.348 22.371 -2.596 1.00 0.00 N ATOM 198 CA THR A 17 7.698 21.618 -1.398 1.00 0.00 C ATOM 199 C THR A 17 6.454 21.234 -0.606 1.00 0.00 C ATOM 200 O THR A 17 6.393 20.159 -0.008 1.00 0.00 O ATOM 201 CB THR A 17 8.645 22.423 -0.486 1.00 0.00 C ATOM 202 OG1 THR A 17 9.940 22.520 -1.088 1.00 0.00 O ATOM 203 CG2 THR A 17 8.764 21.769 0.883 1.00 0.00 C ATOM 0 H THR A 17 7.540 23.371 -2.537 1.00 0.00 H new ATOM 0 HA THR A 17 8.206 20.713 -1.731 1.00 0.00 H new ATOM 0 HB THR A 17 8.228 23.422 -0.359 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.931 23.221 -1.773 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.437 22.355 1.509 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.781 21.724 1.351 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.159 20.759 0.771 1.00 0.00 H new ATOM 211 N LEU A 18 5.461 22.118 -0.607 1.00 0.00 N ATOM 212 CA LEU A 18 4.216 21.869 0.111 1.00 0.00 C ATOM 213 C LEU A 18 3.484 20.664 -0.469 1.00 0.00 C ATOM 214 O LEU A 18 3.021 19.793 0.267 1.00 0.00 O ATOM 215 CB LEU A 18 3.316 23.104 0.052 1.00 0.00 C ATOM 216 CG LEU A 18 3.643 24.222 1.044 1.00 0.00 C ATOM 217 CD1 LEU A 18 2.878 25.488 0.692 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.327 23.782 2.466 1.00 0.00 C ATOM 0 H LEU A 18 5.494 23.012 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 18 4.462 21.655 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.363 23.515 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.287 22.787 0.219 1.00 0.00 H new ATOM 0 HG LEU A 18 4.710 24.438 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.123 26.272 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.155 25.813 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.807 25.287 0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.566 24.589 3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.268 23.538 2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.921 22.903 2.715 1.00 0.00 H new ATOM 230 N ARG A 19 3.385 20.619 -1.794 1.00 0.00 N ATOM 231 CA ARG A 19 2.710 19.520 -2.473 1.00 0.00 C ATOM 232 C ARG A 19 3.346 18.183 -2.107 1.00 0.00 C ATOM 233 O ARG A 19 2.654 17.178 -1.943 1.00 0.00 O ATOM 234 CB ARG A 19 2.757 19.723 -3.988 1.00 0.00 C ATOM 235 CG ARG A 19 1.791 20.783 -4.492 1.00 0.00 C ATOM 236 CD ARG A 19 2.047 21.121 -5.953 1.00 0.00 C ATOM 237 NE ARG A 19 1.266 22.274 -6.393 1.00 0.00 N ATOM 238 CZ ARG A 19 1.234 22.704 -7.649 1.00 0.00 C ATOM 239 NH1 ARG A 19 1.936 22.079 -8.584 1.00 0.00 N ATOM 240 NH2 ARG A 19 0.499 23.761 -7.972 1.00 0.00 N ATOM 0 H ARG A 19 3.764 21.331 -2.418 1.00 0.00 H new ATOM 0 HA ARG A 19 1.670 19.508 -2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.771 20.001 -4.277 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.533 18.776 -4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.767 20.429 -4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.889 21.684 -3.886 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.108 21.325 -6.097 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.801 20.259 -6.573 1.00 0.00 H new ATOM 0 HE ARG A 19 0.715 22.777 -5.697 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.502 21.266 -8.339 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.910 22.411 -9.548 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.042 24.244 -7.255 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.475 24.090 -8.937 1.00 0.00 H new ATOM 254 N LYS A 20 4.668 18.177 -1.983 1.00 0.00 N ATOM 255 CA LYS A 20 5.400 16.964 -1.637 1.00 0.00 C ATOM 256 C LYS A 20 5.026 16.484 -0.238 1.00 0.00 C ATOM 257 O LYS A 20 4.507 15.380 -0.067 1.00 0.00 O ATOM 258 CB LYS A 20 6.908 17.213 -1.716 1.00 0.00 C ATOM 259 CG LYS A 20 7.480 17.040 -3.112 1.00 0.00 C ATOM 260 CD LYS A 20 8.958 16.691 -3.070 1.00 0.00 C ATOM 261 CE LYS A 20 9.827 17.940 -3.088 1.00 0.00 C ATOM 262 NZ LYS A 20 10.102 18.445 -1.715 1.00 0.00 N ATOM 0 H LYS A 20 5.256 19.000 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 20 5.128 16.189 -2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.120 18.224 -1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.417 16.529 -1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.935 16.254 -3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.338 17.959 -3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.171 16.112 -2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.208 16.060 -3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.769 17.719 -3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.332 18.718 -3.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.765 19.245 -1.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.213 18.759 -1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.521 17.684 -1.143 1.00 0.00 H new ATOM 276 N THR A 21 5.292 17.320 0.760 1.00 0.00 N ATOM 277 CA THR A 21 4.983 16.982 2.144 1.00 0.00 C ATOM 278 C THR A 21 3.599 16.354 2.260 1.00 0.00 C ATOM 279 O THR A 21 3.423 15.330 2.921 1.00 0.00 O ATOM 280 CB THR A 21 5.050 18.222 3.055 1.00 0.00 C ATOM 281 OG1 THR A 21 6.217 18.994 2.747 1.00 0.00 O ATOM 282 CG2 THR A 21 5.075 17.817 4.521 1.00 0.00 C ATOM 0 H THR A 21 5.721 18.237 0.636 1.00 0.00 H new ATOM 0 HA THR A 21 5.734 16.262 2.468 1.00 0.00 H new ATOM 0 HB THR A 21 4.159 18.824 2.877 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.251 19.781 3.329 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.122 18.710 5.144 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.171 17.256 4.759 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.949 17.195 4.712 1.00 0.00 H new ATOM 290 N VAL A 22 2.616 16.974 1.615 1.00 0.00 N ATOM 291 CA VAL A 22 1.247 16.475 1.645 1.00 0.00 C ATOM 292 C VAL A 22 1.141 15.119 0.957 1.00 0.00 C ATOM 293 O VAL A 22 0.379 14.253 1.385 1.00 0.00 O ATOM 294 CB VAL A 22 0.275 17.459 0.966 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.141 16.906 0.977 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.330 18.818 1.648 1.00 0.00 C ATOM 0 H VAL A 22 2.743 17.824 1.065 1.00 0.00 H new ATOM 0 HA VAL A 22 0.972 16.370 2.695 1.00 0.00 H new ATOM 0 HB VAL A 22 0.581 17.586 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.812 17.615 0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.166 15.958 0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.462 16.747 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.363 19.501 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.050 18.711 2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.342 19.218 1.582 1.00 0.00 H new ATOM 306 N GLU A 23 1.912 14.941 -0.112 1.00 0.00 N ATOM 307 CA GLU A 23 1.904 13.689 -0.859 1.00 0.00 C ATOM 308 C GLU A 23 2.422 12.540 0.000 1.00 0.00 C ATOM 309 O GLU A 23 1.902 11.425 -0.057 1.00 0.00 O ATOM 310 CB GLU A 23 2.756 13.820 -2.124 1.00 0.00 C ATOM 311 CG GLU A 23 1.976 14.301 -3.337 1.00 0.00 C ATOM 312 CD GLU A 23 2.709 14.045 -4.639 1.00 0.00 C ATOM 313 OE1 GLU A 23 2.790 12.869 -5.052 1.00 0.00 O ATOM 314 OE2 GLU A 23 3.200 15.020 -5.246 1.00 0.00 O ATOM 0 H GLU A 23 2.549 15.648 -0.479 1.00 0.00 H new ATOM 0 HA GLU A 23 0.875 13.471 -1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.574 14.514 -1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.205 12.853 -2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.008 13.800 -3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.780 15.369 -3.238 1.00 0.00 H new ATOM 321 N ASP A 24 3.448 12.820 0.796 1.00 0.00 N ATOM 322 CA ASP A 24 4.038 11.810 1.667 1.00 0.00 C ATOM 323 C ASP A 24 3.104 11.484 2.829 1.00 0.00 C ATOM 324 O ASP A 24 2.798 10.320 3.087 1.00 0.00 O ATOM 325 CB ASP A 24 5.388 12.291 2.200 1.00 0.00 C ATOM 326 CG ASP A 24 6.549 11.810 1.354 1.00 0.00 C ATOM 327 OD1 ASP A 24 6.479 10.673 0.842 1.00 0.00 O ATOM 328 OD2 ASP A 24 7.529 12.570 1.203 1.00 0.00 O ATOM 0 H ASP A 24 3.888 13.738 0.856 1.00 0.00 H new ATOM 0 HA ASP A 24 4.191 10.904 1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.394 13.380 2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.518 11.939 3.223 1.00 0.00 H new ATOM 333 N TYR A 25 2.655 12.521 3.529 1.00 0.00 N ATOM 334 CA TYR A 25 1.759 12.345 4.666 1.00 0.00 C ATOM 335 C TYR A 25 0.713 11.273 4.375 1.00 0.00 C ATOM 336 O TYR A 25 0.641 10.256 5.066 1.00 0.00 O ATOM 337 CB TYR A 25 1.069 13.667 5.007 1.00 0.00 C ATOM 338 CG TYR A 25 0.217 13.601 6.255 1.00 0.00 C ATOM 339 CD1 TYR A 25 0.797 13.441 7.507 1.00 0.00 C ATOM 340 CD2 TYR A 25 -1.167 13.698 6.180 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.022 13.379 8.649 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.949 13.638 7.317 1.00 0.00 C ATOM 343 CZ TYR A 25 -1.350 13.479 8.549 1.00 0.00 C ATOM 344 OH TYR A 25 -2.126 13.418 9.685 1.00 0.00 O ATOM 0 H TYR A 25 2.897 13.491 3.329 1.00 0.00 H new ATOM 0 HA TYR A 25 2.355 12.023 5.520 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.827 14.440 5.135 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.444 13.969 4.166 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.871 13.364 7.589 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.639 13.822 5.217 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.488 13.253 9.615 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.024 13.715 7.242 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.922 13.978 9.568 1.00 0.00 H new ATOM 354 N PHE A 26 -0.096 11.509 3.348 1.00 0.00 N ATOM 355 CA PHE A 26 -1.139 10.564 2.964 1.00 0.00 C ATOM 356 C PHE A 26 -0.598 9.137 2.939 1.00 0.00 C ATOM 357 O PHE A 26 -1.309 8.186 3.268 1.00 0.00 O ATOM 358 CB PHE A 26 -1.708 10.930 1.592 1.00 0.00 C ATOM 359 CG PHE A 26 -2.382 12.271 1.561 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.168 12.691 2.623 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.232 13.112 0.470 1.00 0.00 C ATOM 362 CE1 PHE A 26 -3.790 13.925 2.597 1.00 0.00 C ATOM 363 CE2 PHE A 26 -2.851 14.347 0.440 1.00 0.00 C ATOM 364 CZ PHE A 26 -3.633 14.754 1.504 1.00 0.00 C ATOM 0 H PHE A 26 -0.050 12.346 2.767 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.935 10.619 3.706 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.901 10.921 0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.423 10.166 1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.296 12.047 3.480 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.625 12.799 -0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.399 14.241 3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.724 14.994 -0.415 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.120 15.718 1.481 1.00 0.00 H new ATOM 374 N CYS A 27 0.664 8.996 2.547 1.00 0.00 N ATOM 375 CA CYS A 27 1.300 7.686 2.476 1.00 0.00 C ATOM 376 C CYS A 27 1.396 7.053 3.862 1.00 0.00 C ATOM 377 O CYS A 27 1.275 5.836 4.010 1.00 0.00 O ATOM 378 CB CYS A 27 2.695 7.804 1.860 1.00 0.00 C ATOM 379 SG CYS A 27 2.749 8.792 0.346 1.00 0.00 S ATOM 0 H CYS A 27 1.266 9.773 2.274 1.00 0.00 H new ATOM 0 HA CYS A 27 0.685 7.046 1.844 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.369 8.246 2.594 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.071 6.804 1.643 1.00 0.00 H new ATOM 0 HG CYS A 27 2.122 9.915 0.538 1.00 0.00 H new ATOM 385 N PHE A 28 1.615 7.887 4.873 1.00 0.00 N ATOM 386 CA PHE A 28 1.731 7.409 6.245 1.00 0.00 C ATOM 387 C PHE A 28 0.402 6.839 6.737 1.00 0.00 C ATOM 388 O PHE A 28 0.293 5.644 7.012 1.00 0.00 O ATOM 389 CB PHE A 28 2.183 8.544 7.167 1.00 0.00 C ATOM 390 CG PHE A 28 1.861 8.307 8.614 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.007 7.046 9.173 1.00 0.00 C ATOM 392 CD2 PHE A 28 1.412 9.342 9.418 1.00 0.00 C ATOM 393 CE1 PHE A 28 1.713 6.823 10.504 1.00 0.00 C ATOM 394 CE2 PHE A 28 1.116 9.126 10.750 1.00 0.00 C ATOM 395 CZ PHE A 28 1.266 7.865 11.294 1.00 0.00 C ATOM 0 H PHE A 28 1.716 8.897 4.768 1.00 0.00 H new ATOM 0 HA PHE A 28 2.477 6.615 6.264 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.259 8.681 7.061 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.710 9.472 6.846 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.355 6.228 8.560 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.292 10.330 8.998 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.832 5.836 10.926 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.768 9.942 11.365 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.034 7.694 12.335 1.00 0.00 H new ATOM 405 N CYS A 29 -0.601 7.702 6.844 1.00 0.00 N ATOM 406 CA CYS A 29 -1.921 7.287 7.303 1.00 0.00 C ATOM 407 C CYS A 29 -2.414 6.078 6.515 1.00 0.00 C ATOM 408 O CYS A 29 -2.934 5.120 7.089 1.00 0.00 O ATOM 409 CB CYS A 29 -2.917 8.439 7.168 1.00 0.00 C ATOM 410 SG CYS A 29 -2.850 9.634 8.523 1.00 0.00 S ATOM 0 H CYS A 29 -0.525 8.694 6.619 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.842 7.007 8.353 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.729 8.960 6.229 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.925 8.029 7.109 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.003 10.223 8.639 1.00 0.00 H new ATOM 416 N TYR A 30 -2.251 6.130 5.198 1.00 0.00 N ATOM 417 CA TYR A 30 -2.684 5.041 4.330 1.00 0.00 C ATOM 418 C TYR A 30 -1.977 3.739 4.697 1.00 0.00 C ATOM 419 O TYR A 30 -2.621 2.727 4.976 1.00 0.00 O ATOM 420 CB TYR A 30 -2.409 5.388 2.866 1.00 0.00 C ATOM 421 CG TYR A 30 -2.865 4.321 1.896 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.108 3.717 2.031 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.052 3.918 0.843 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.530 2.742 1.147 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.465 2.945 -0.046 1.00 0.00 C ATOM 426 CZ TYR A 30 -3.705 2.360 0.110 1.00 0.00 C ATOM 427 OH TYR A 30 -4.119 1.389 -0.772 1.00 0.00 O ATOM 0 H TYR A 30 -1.822 6.915 4.708 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.756 4.903 4.469 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.909 6.326 2.623 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.340 5.554 2.735 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.757 4.015 2.842 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.081 4.374 0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.500 2.282 1.268 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.821 2.644 -0.859 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.421 1.238 -1.443 1.00 0.00 H new ATOM 437 N GLY A 31 -0.648 3.773 4.694 1.00 0.00 N ATOM 438 CA GLY A 31 0.125 2.591 5.028 1.00 0.00 C ATOM 439 C GLY A 31 -0.217 2.043 6.400 1.00 0.00 C ATOM 440 O GLY A 31 -0.317 0.830 6.585 1.00 0.00 O ATOM 0 H GLY A 31 -0.093 4.598 4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.053 1.820 4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.187 2.833 4.991 1.00 0.00 H new ATOM 444 N LYS A 32 -0.396 2.938 7.366 1.00 0.00 N ATOM 445 CA LYS A 32 -0.728 2.539 8.727 1.00 0.00 C ATOM 446 C LYS A 32 -2.104 1.881 8.782 1.00 0.00 C ATOM 447 O LYS A 32 -2.313 0.919 9.519 1.00 0.00 O ATOM 448 CB LYS A 32 -0.694 3.752 9.659 1.00 0.00 C ATOM 449 CG LYS A 32 -1.454 3.544 10.958 1.00 0.00 C ATOM 450 CD LYS A 32 -2.904 3.978 10.832 1.00 0.00 C ATOM 451 CE LYS A 32 -3.456 4.470 12.161 1.00 0.00 C ATOM 452 NZ LYS A 32 -3.842 3.342 13.053 1.00 0.00 N ATOM 0 H LYS A 32 -0.316 3.946 7.230 1.00 0.00 H new ATOM 0 HA LYS A 32 0.016 1.814 9.057 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.344 3.993 9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.113 4.612 9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.412 2.492 11.241 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.973 4.109 11.757 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.984 4.770 10.088 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.505 3.142 10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.708 5.087 12.659 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.324 5.104 11.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.213 3.719 13.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.574 2.767 12.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.008 2.751 13.246 1.00 0.00 H new ATOM 466 N ALA A 33 -3.037 2.407 7.995 1.00 0.00 N ATOM 467 CA ALA A 33 -4.391 1.869 7.951 1.00 0.00 C ATOM 468 C ALA A 33 -4.462 0.635 7.057 1.00 0.00 C ATOM 469 O ALA A 33 -5.408 -0.150 7.140 1.00 0.00 O ATOM 470 CB ALA A 33 -5.366 2.931 7.467 1.00 0.00 C ATOM 0 H ALA A 33 -2.880 3.205 7.379 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.670 1.570 8.961 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.373 2.515 7.439 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.344 3.782 8.147 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.081 3.258 6.467 1.00 0.00 H new ATOM 476 N LEU A 34 -3.459 0.470 6.203 1.00 0.00 N ATOM 477 CA LEU A 34 -3.408 -0.667 5.292 1.00 0.00 C ATOM 478 C LEU A 34 -3.018 -1.942 6.034 1.00 0.00 C ATOM 479 O LEU A 34 -3.376 -3.045 5.625 1.00 0.00 O ATOM 480 CB LEU A 34 -2.413 -0.397 4.161 1.00 0.00 C ATOM 481 CG LEU A 34 -2.916 0.491 3.023 1.00 0.00 C ATOM 482 CD1 LEU A 34 -1.756 0.960 2.160 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.944 -0.253 2.181 1.00 0.00 C ATOM 0 H LEU A 34 -2.669 1.110 6.122 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.402 -0.805 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.523 0.065 4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.104 -1.354 3.739 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.397 1.368 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.133 1.591 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.056 1.530 2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.246 0.096 1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.291 0.394 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.488 -1.148 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.789 -0.539 2.807 1.00 0.00 H new ATOM 495 N GLY A 35 -2.283 -1.781 7.130 1.00 0.00 N ATOM 496 CA GLY A 35 -1.858 -2.926 7.914 1.00 0.00 C ATOM 497 C GLY A 35 -0.351 -3.008 8.052 1.00 0.00 C ATOM 498 O GLY A 35 0.178 -3.965 8.619 1.00 0.00 O ATOM 0 H GLY A 35 -1.974 -0.878 7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.308 -2.871 8.905 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.227 -3.839 7.447 1.00 0.00 H new ATOM 502 N LYS A 36 0.344 -2.003 7.531 1.00 0.00 N ATOM 503 CA LYS A 36 1.801 -1.963 7.598 1.00 0.00 C ATOM 504 C LYS A 36 2.280 -0.674 8.258 1.00 0.00 C ATOM 505 O LYS A 36 1.597 0.349 8.211 1.00 0.00 O ATOM 506 CB LYS A 36 2.399 -2.085 6.195 1.00 0.00 C ATOM 507 CG LYS A 36 1.557 -1.427 5.116 1.00 0.00 C ATOM 508 CD LYS A 36 0.626 -2.425 4.450 1.00 0.00 C ATOM 509 CE LYS A 36 1.260 -3.042 3.213 1.00 0.00 C ATOM 510 NZ LYS A 36 2.033 -4.272 3.541 1.00 0.00 N ATOM 0 H LYS A 36 -0.078 -1.204 7.057 1.00 0.00 H new ATOM 0 HA LYS A 36 2.136 -2.805 8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.393 -1.637 6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.525 -3.140 5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.972 -0.618 5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.209 -0.980 4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.368 -3.212 5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.304 -1.928 4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.482 -3.284 2.489 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.919 -2.314 2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.233 -4.799 2.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.929 -4.007 3.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.478 -4.869 4.186 1.00 0.00 H new ATOM 524 N SER A 37 3.459 -0.731 8.869 1.00 0.00 N ATOM 525 CA SER A 37 4.029 0.433 9.540 1.00 0.00 C ATOM 526 C SER A 37 4.861 1.265 8.570 1.00 0.00 C ATOM 527 O SER A 37 5.598 2.165 8.977 1.00 0.00 O ATOM 528 CB SER A 37 4.892 -0.007 10.724 1.00 0.00 C ATOM 529 OG SER A 37 4.155 -0.821 11.619 1.00 0.00 O ATOM 0 H SER A 37 4.038 -1.569 8.914 1.00 0.00 H new ATOM 0 HA SER A 37 3.208 1.049 9.907 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.761 -0.556 10.360 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.267 0.871 11.251 1.00 0.00 H new ATOM 0 HG SER A 37 4.730 -1.090 12.366 1.00 0.00 H new ATOM 535 N THR A 38 4.740 0.958 7.282 1.00 0.00 N ATOM 536 CA THR A 38 5.481 1.676 6.252 1.00 0.00 C ATOM 537 C THR A 38 4.570 2.618 5.473 1.00 0.00 C ATOM 538 O THR A 38 3.348 2.573 5.616 1.00 0.00 O ATOM 539 CB THR A 38 6.158 0.705 5.267 1.00 0.00 C ATOM 540 OG1 THR A 38 5.165 -0.014 4.527 1.00 0.00 O ATOM 541 CG2 THR A 38 7.056 -0.276 6.006 1.00 0.00 C ATOM 0 H THR A 38 4.136 0.217 6.927 1.00 0.00 H new ATOM 0 HA THR A 38 6.248 2.258 6.763 1.00 0.00 H new ATOM 0 HB THR A 38 6.771 1.288 4.580 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.604 -0.628 3.902 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.523 -0.952 5.290 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.829 0.273 6.545 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.460 -0.853 6.714 1.00 0.00 H new ATOM 549 N VAL A 39 5.171 3.470 4.650 1.00 0.00 N ATOM 550 CA VAL A 39 4.413 4.422 3.847 1.00 0.00 C ATOM 551 C VAL A 39 4.052 3.831 2.489 1.00 0.00 C ATOM 552 O VAL A 39 4.928 3.540 1.673 1.00 0.00 O ATOM 553 CB VAL A 39 5.200 5.728 3.633 1.00 0.00 C ATOM 554 CG1 VAL A 39 5.032 6.654 4.827 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.670 5.429 3.381 1.00 0.00 C ATOM 0 H VAL A 39 6.182 3.521 4.521 1.00 0.00 H new ATOM 0 HA VAL A 39 3.499 4.643 4.398 1.00 0.00 H new ATOM 0 HB VAL A 39 4.800 6.233 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.595 7.572 4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.977 6.894 4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.404 6.161 5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.211 6.363 3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.086 4.902 4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.767 4.807 2.491 1.00 0.00 H new ATOM 565 N VAL A 40 2.756 3.654 2.252 1.00 0.00 N ATOM 566 CA VAL A 40 2.278 3.098 0.992 1.00 0.00 C ATOM 567 C VAL A 40 1.786 4.198 0.057 1.00 0.00 C ATOM 568 O VAL A 40 1.100 5.135 0.467 1.00 0.00 O ATOM 569 CB VAL A 40 1.139 2.087 1.220 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.599 1.580 -0.109 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.618 0.931 2.086 1.00 0.00 C ATOM 0 H VAL A 40 2.018 3.888 2.916 1.00 0.00 H new ATOM 0 HA VAL A 40 3.123 2.585 0.533 1.00 0.00 H new ATOM 0 HB VAL A 40 0.328 2.593 1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.205 0.867 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.215 2.419 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.399 1.091 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.800 0.226 2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.447 0.425 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.951 1.313 3.051 1.00 0.00 H new ATOM 581 N PRO A 41 2.143 4.084 -1.230 1.00 0.00 N ATOM 582 CA PRO A 41 1.749 5.060 -2.251 1.00 0.00 C ATOM 583 C PRO A 41 0.256 5.004 -2.558 1.00 0.00 C ATOM 584 O PRO A 41 -0.227 4.050 -3.168 1.00 0.00 O ATOM 585 CB PRO A 41 2.563 4.640 -3.477 1.00 0.00 C ATOM 586 CG PRO A 41 2.831 3.188 -3.275 1.00 0.00 C ATOM 587 CD PRO A 41 2.960 2.993 -1.789 1.00 0.00 C ATOM 0 HA PRO A 41 1.936 6.085 -1.930 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.009 4.816 -4.399 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.491 5.207 -3.549 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.020 2.582 -3.679 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.743 2.884 -3.789 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.592 2.015 -1.478 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.998 3.061 -1.463 1.00 0.00 H new ATOM 595 N VAL A 42 -0.470 6.034 -2.135 1.00 0.00 N ATOM 596 CA VAL A 42 -1.907 6.104 -2.365 1.00 0.00 C ATOM 597 C VAL A 42 -2.218 6.259 -3.851 1.00 0.00 C ATOM 598 O VAL A 42 -1.946 7.292 -4.461 1.00 0.00 O ATOM 599 CB VAL A 42 -2.544 7.275 -1.594 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.053 7.285 -1.790 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.191 7.193 -0.117 1.00 0.00 C ATOM 0 H VAL A 42 -0.085 6.832 -1.630 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.331 5.168 -2.002 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.144 8.209 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.486 8.119 -1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.281 7.394 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.474 6.349 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.649 8.028 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.562 6.254 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.108 7.238 0.001 1.00 0.00 H new ATOM 611 N PRO A 43 -2.802 5.209 -4.446 1.00 0.00 N ATOM 612 CA PRO A 43 -3.164 5.204 -5.867 1.00 0.00 C ATOM 613 C PRO A 43 -4.322 6.147 -6.172 1.00 0.00 C ATOM 614 O PRO A 43 -5.467 5.715 -6.311 1.00 0.00 O ATOM 615 CB PRO A 43 -3.573 3.752 -6.125 1.00 0.00 C ATOM 616 CG PRO A 43 -4.010 3.241 -4.795 1.00 0.00 C ATOM 617 CD PRO A 43 -3.155 3.945 -3.778 1.00 0.00 C ATOM 0 HA PRO A 43 -2.344 5.547 -6.498 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.379 3.691 -6.857 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.740 3.170 -6.519 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.067 3.447 -4.626 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.882 2.160 -4.731 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.697 4.119 -2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.269 3.363 -3.526 1.00 0.00 H new ATOM 625 N TYR A 44 -4.018 7.436 -6.277 1.00 0.00 N ATOM 626 CA TYR A 44 -5.036 8.441 -6.565 1.00 0.00 C ATOM 627 C TYR A 44 -5.897 8.019 -7.752 1.00 0.00 C ATOM 628 O TYR A 44 -7.124 8.069 -7.689 1.00 0.00 O ATOM 629 CB TYR A 44 -4.380 9.793 -6.852 1.00 0.00 C ATOM 630 CG TYR A 44 -3.575 10.334 -5.692 1.00 0.00 C ATOM 631 CD1 TYR A 44 -4.204 10.807 -4.546 1.00 0.00 C ATOM 632 CD2 TYR A 44 -2.188 10.372 -5.741 1.00 0.00 C ATOM 633 CE1 TYR A 44 -3.473 11.303 -3.484 1.00 0.00 C ATOM 634 CE2 TYR A 44 -1.448 10.865 -4.683 1.00 0.00 C ATOM 635 CZ TYR A 44 -2.096 11.330 -3.557 1.00 0.00 C ATOM 636 OH TYR A 44 -1.364 11.822 -2.500 1.00 0.00 O ATOM 0 H TYR A 44 -3.075 7.810 -6.167 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.677 8.534 -5.689 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.729 9.694 -7.721 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.154 10.514 -7.114 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.282 10.786 -4.485 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.678 10.010 -6.622 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.977 11.668 -2.601 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.370 10.886 -4.737 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.408 11.769 -2.711 1.00 0.00 H new ATOM 646 N GLU A 45 -5.243 7.603 -8.831 1.00 0.00 N ATOM 647 CA GLU A 45 -5.949 7.172 -10.032 1.00 0.00 C ATOM 648 C GLU A 45 -7.122 6.263 -9.677 1.00 0.00 C ATOM 649 O GLU A 45 -8.269 6.544 -10.027 1.00 0.00 O ATOM 650 CB GLU A 45 -4.993 6.442 -10.979 1.00 0.00 C ATOM 651 CG GLU A 45 -5.698 5.547 -11.984 1.00 0.00 C ATOM 652 CD GLU A 45 -4.850 5.267 -13.210 1.00 0.00 C ATOM 653 OE1 GLU A 45 -4.850 6.106 -14.134 1.00 0.00 O ATOM 654 OE2 GLU A 45 -4.188 4.209 -13.246 1.00 0.00 O ATOM 0 H GLU A 45 -4.226 7.555 -8.899 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.337 8.059 -10.532 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.395 7.178 -11.517 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.302 5.839 -10.390 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.960 4.604 -11.504 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.632 6.018 -12.292 1.00 0.00 H new ATOM 661 N LYS A 46 -6.828 5.172 -8.980 1.00 0.00 N ATOM 662 CA LYS A 46 -7.856 4.220 -8.576 1.00 0.00 C ATOM 663 C LYS A 46 -8.774 4.827 -7.519 1.00 0.00 C ATOM 664 O LYS A 46 -9.996 4.795 -7.653 1.00 0.00 O ATOM 665 CB LYS A 46 -7.212 2.942 -8.035 1.00 0.00 C ATOM 666 CG LYS A 46 -7.012 2.952 -6.529 1.00 0.00 C ATOM 667 CD LYS A 46 -6.497 1.614 -6.026 1.00 0.00 C ATOM 668 CE LYS A 46 -5.439 1.038 -6.956 1.00 0.00 C ATOM 669 NZ LYS A 46 -6.048 0.288 -8.089 1.00 0.00 N ATOM 0 H LYS A 46 -5.884 4.924 -8.682 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.454 3.974 -9.454 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.835 2.089 -8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.247 2.798 -8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.307 3.739 -6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.956 3.188 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.077 1.737 -5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.327 0.913 -5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.819 1.845 -7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.782 0.375 -6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.635 -0.665 -8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.075 0.214 -7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.860 0.791 -8.980 1.00 0.00 H new ATOM 683 N MET A 47 -8.174 5.381 -6.469 1.00 0.00 N ATOM 684 CA MET A 47 -8.939 5.997 -5.391 1.00 0.00 C ATOM 685 C MET A 47 -9.952 6.994 -5.944 1.00 0.00 C ATOM 686 O MET A 47 -10.969 7.278 -5.310 1.00 0.00 O ATOM 687 CB MET A 47 -8.000 6.699 -4.408 1.00 0.00 C ATOM 688 CG MET A 47 -7.519 5.801 -3.280 1.00 0.00 C ATOM 689 SD MET A 47 -8.735 5.636 -1.959 1.00 0.00 S ATOM 690 CE MET A 47 -8.399 7.112 -1.002 1.00 0.00 C ATOM 0 H MET A 47 -7.162 5.416 -6.342 1.00 0.00 H new ATOM 0 HA MET A 47 -9.480 5.209 -4.867 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.136 7.079 -4.952 1.00 0.00 H new ATOM 0 HB3 MET A 47 -8.513 7.561 -3.982 1.00 0.00 H new ATOM 0 HG2 MET A 47 -7.286 4.814 -3.680 1.00 0.00 H new ATOM 0 HG3 MET A 47 -6.594 6.204 -2.869 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.408 6.867 0.060 1.00 0.00 H new ATOM 0 HE2 MET A 47 -7.421 7.508 -1.275 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.163 7.861 -1.208 1.00 0.00 H new ATOM 700 N LEU A 48 -9.669 7.523 -7.130 1.00 0.00 N ATOM 701 CA LEU A 48 -10.556 8.489 -7.769 1.00 0.00 C ATOM 702 C LEU A 48 -11.834 7.814 -8.257 1.00 0.00 C ATOM 703 O LEU A 48 -12.906 8.420 -8.259 1.00 0.00 O ATOM 704 CB LEU A 48 -9.844 9.168 -8.940 1.00 0.00 C ATOM 705 CG LEU A 48 -8.883 10.300 -8.576 1.00 0.00 C ATOM 706 CD1 LEU A 48 -8.047 10.699 -9.783 1.00 0.00 C ATOM 707 CD2 LEU A 48 -9.651 11.498 -8.037 1.00 0.00 C ATOM 0 H LEU A 48 -8.832 7.299 -7.668 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.825 9.243 -7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.288 8.409 -9.490 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.600 9.564 -9.618 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.210 9.944 -7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.369 11.506 -9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.469 9.841 -10.125 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.704 11.037 -10.585 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.951 12.294 -7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.347 11.855 -8.796 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.205 11.204 -7.146 1.00 0.00 H new ATOM 719 N ARG A 49 -11.713 6.556 -8.670 1.00 0.00 N ATOM 720 CA ARG A 49 -12.858 5.799 -9.159 1.00 0.00 C ATOM 721 C ARG A 49 -13.583 5.106 -8.010 1.00 0.00 C ATOM 722 O ARG A 49 -14.803 4.945 -8.040 1.00 0.00 O ATOM 723 CB ARG A 49 -12.408 4.764 -10.192 1.00 0.00 C ATOM 724 CG ARG A 49 -11.265 5.240 -11.073 1.00 0.00 C ATOM 725 CD ARG A 49 -11.304 4.575 -12.441 1.00 0.00 C ATOM 726 NE ARG A 49 -12.524 4.900 -13.173 1.00 0.00 N ATOM 727 CZ ARG A 49 -12.882 4.304 -14.306 1.00 0.00 C ATOM 728 NH1 ARG A 49 -12.117 3.358 -14.832 1.00 0.00 N ATOM 729 NH2 ARG A 49 -14.008 4.655 -14.914 1.00 0.00 N ATOM 0 H ARG A 49 -10.833 6.040 -8.675 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.549 6.497 -9.632 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.102 3.855 -9.674 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.257 4.500 -10.823 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.321 6.322 -11.191 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.314 5.021 -10.587 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.438 4.891 -13.022 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.231 3.494 -12.321 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.135 5.624 -12.795 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.251 3.085 -14.367 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.394 2.903 -15.701 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.599 5.382 -14.512 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.282 4.197 -15.783 1.00 0.00 H new ATOM 743 N ASP A 50 -12.824 4.698 -7.000 1.00 0.00 N ATOM 744 CA ASP A 50 -13.394 4.022 -5.839 1.00 0.00 C ATOM 745 C ASP A 50 -12.894 4.652 -4.543 1.00 0.00 C ATOM 746 O ASP A 50 -11.880 4.229 -3.988 1.00 0.00 O ATOM 747 CB ASP A 50 -13.043 2.533 -5.867 1.00 0.00 C ATOM 748 CG ASP A 50 -14.078 1.682 -5.158 1.00 0.00 C ATOM 749 OD1 ASP A 50 -14.417 2.001 -3.999 1.00 0.00 O ATOM 750 OD2 ASP A 50 -14.549 0.696 -5.762 1.00 0.00 O ATOM 0 H ASP A 50 -11.812 4.823 -6.961 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.478 4.133 -5.880 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.953 2.203 -6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.070 2.383 -5.398 1.00 0.00 H new ATOM 755 N GLN A 51 -13.611 5.665 -4.068 1.00 0.00 N ATOM 756 CA GLN A 51 -13.239 6.354 -2.839 1.00 0.00 C ATOM 757 C GLN A 51 -13.651 5.545 -1.615 1.00 0.00 C ATOM 758 O GLN A 51 -12.915 5.471 -0.630 1.00 0.00 O ATOM 759 CB GLN A 51 -13.885 7.740 -2.790 1.00 0.00 C ATOM 760 CG GLN A 51 -13.573 8.600 -4.004 1.00 0.00 C ATOM 761 CD GLN A 51 -13.748 10.081 -3.731 1.00 0.00 C ATOM 762 OE1 GLN A 51 -14.602 10.481 -2.940 1.00 0.00 O ATOM 763 NE2 GLN A 51 -12.937 10.904 -4.385 1.00 0.00 N ATOM 0 H GLN A 51 -14.453 6.027 -4.516 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.155 6.466 -2.830 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.966 7.625 -2.704 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.547 8.258 -1.892 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.548 8.412 -4.324 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.223 8.307 -4.829 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.243 10.529 -5.032 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.008 11.911 -4.241 1.00 0.00 H new ATOM 772 N SER A 52 -14.833 4.938 -1.683 1.00 0.00 N ATOM 773 CA SER A 52 -15.346 4.138 -0.577 1.00 0.00 C ATOM 774 C SER A 52 -14.250 3.246 0.002 1.00 0.00 C ATOM 775 O SER A 52 -13.931 3.327 1.187 1.00 0.00 O ATOM 776 CB SER A 52 -16.522 3.279 -1.045 1.00 0.00 C ATOM 777 OG SER A 52 -17.425 3.028 0.019 1.00 0.00 O ATOM 0 H SER A 52 -15.452 4.985 -2.492 1.00 0.00 H new ATOM 0 HA SER A 52 -15.688 4.818 0.203 1.00 0.00 H new ATOM 0 HB2 SER A 52 -17.044 3.783 -1.858 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.151 2.334 -1.442 1.00 0.00 H new ATOM 0 HG SER A 52 -18.169 2.479 -0.306 1.00 0.00 H new ATOM 783 N ALA A 53 -13.679 2.396 -0.845 1.00 0.00 N ATOM 784 CA ALA A 53 -12.618 1.491 -0.420 1.00 0.00 C ATOM 785 C ALA A 53 -11.791 2.105 0.704 1.00 0.00 C ATOM 786 O ALA A 53 -11.398 1.417 1.647 1.00 0.00 O ATOM 787 CB ALA A 53 -11.726 1.131 -1.599 1.00 0.00 C ATOM 0 H ALA A 53 -13.933 2.315 -1.829 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.082 0.581 -0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.938 0.455 -1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.322 0.643 -2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.278 2.037 -2.006 1.00 0.00 H new ATOM 793 N VAL A 54 -11.527 3.403 0.598 1.00 0.00 N ATOM 794 CA VAL A 54 -10.746 4.110 1.606 1.00 0.00 C ATOM 795 C VAL A 54 -11.187 5.566 1.722 1.00 0.00 C ATOM 796 O VAL A 54 -11.116 6.326 0.756 1.00 0.00 O ATOM 797 CB VAL A 54 -9.241 4.067 1.282 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.425 4.554 2.469 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.824 2.660 0.879 1.00 0.00 C ATOM 0 H VAL A 54 -11.843 3.987 -0.176 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.921 3.603 2.555 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.048 4.734 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.364 4.516 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.706 5.580 2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.619 3.915 3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.758 2.647 0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.030 1.971 1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.385 2.353 -0.003 1.00 0.00 H new ATOM 809 N VAL A 55 -11.642 5.946 2.911 1.00 0.00 N ATOM 810 CA VAL A 55 -12.093 7.311 3.156 1.00 0.00 C ATOM 811 C VAL A 55 -10.992 8.147 3.798 1.00 0.00 C ATOM 812 O VAL A 55 -10.155 7.629 4.538 1.00 0.00 O ATOM 813 CB VAL A 55 -13.338 7.338 4.062 1.00 0.00 C ATOM 814 CG1 VAL A 55 -13.905 8.746 4.152 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.389 6.362 3.552 1.00 0.00 C ATOM 0 H VAL A 55 -11.708 5.328 3.720 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.350 7.737 2.186 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.042 7.028 5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.784 8.744 4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.152 9.416 4.568 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.186 9.089 3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.262 6.394 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.682 6.639 2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.977 5.353 3.547 1.00 0.00 H new ATOM 825 N VAL A 56 -10.999 9.446 3.512 1.00 0.00 N ATOM 826 CA VAL A 56 -10.002 10.355 4.063 1.00 0.00 C ATOM 827 C VAL A 56 -10.662 11.494 4.832 1.00 0.00 C ATOM 828 O VAL A 56 -11.373 12.316 4.254 1.00 0.00 O ATOM 829 CB VAL A 56 -9.110 10.948 2.956 1.00 0.00 C ATOM 830 CG1 VAL A 56 -7.903 11.649 3.561 1.00 0.00 C ATOM 831 CG2 VAL A 56 -8.673 9.861 1.985 1.00 0.00 C ATOM 0 H VAL A 56 -11.684 9.891 2.902 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.383 9.770 4.744 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.690 11.687 2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.284 12.062 2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.239 12.455 4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.319 10.933 4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.044 10.297 1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.110 9.098 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.552 9.408 1.527 1.00 0.00 H new ATOM 841 N GLN A 57 -10.423 11.537 6.138 1.00 0.00 N ATOM 842 CA GLN A 57 -10.995 12.575 6.987 1.00 0.00 C ATOM 843 C GLN A 57 -9.971 13.668 7.275 1.00 0.00 C ATOM 844 O GLN A 57 -8.844 13.623 6.783 1.00 0.00 O ATOM 845 CB GLN A 57 -11.498 11.973 8.299 1.00 0.00 C ATOM 846 CG GLN A 57 -12.825 11.243 8.163 1.00 0.00 C ATOM 847 CD GLN A 57 -13.771 11.926 7.194 1.00 0.00 C ATOM 848 OE1 GLN A 57 -13.952 13.143 7.240 1.00 0.00 O ATOM 849 NE2 GLN A 57 -14.377 11.144 6.309 1.00 0.00 N ATOM 0 H GLN A 57 -9.837 10.864 6.632 1.00 0.00 H new ATOM 0 HA GLN A 57 -11.836 13.020 6.455 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.749 11.280 8.682 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.604 12.768 9.037 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.641 10.223 7.827 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -13.300 11.175 9.142 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.197 10.140 6.308 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.023 11.547 5.630 1.00 0.00 H new ATOM 858 N GLY A 58 -10.371 14.651 8.077 1.00 0.00 N ATOM 859 CA GLY A 58 -9.476 15.741 8.418 1.00 0.00 C ATOM 860 C GLY A 58 -9.437 16.815 7.347 1.00 0.00 C ATOM 861 O GLY A 58 -8.756 17.830 7.501 1.00 0.00 O ATOM 0 H GLY A 58 -11.299 14.711 8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.792 16.185 9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.471 15.348 8.571 1.00 0.00 H new ATOM 865 N LEU A 59 -10.168 16.591 6.261 1.00 0.00 N ATOM 866 CA LEU A 59 -10.214 17.547 5.160 1.00 0.00 C ATOM 867 C LEU A 59 -11.128 18.721 5.496 1.00 0.00 C ATOM 868 O LEU A 59 -12.056 18.609 6.297 1.00 0.00 O ATOM 869 CB LEU A 59 -10.697 16.859 3.882 1.00 0.00 C ATOM 870 CG LEU A 59 -9.652 16.039 3.125 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.117 15.762 1.705 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.311 16.760 3.118 1.00 0.00 C ATOM 0 H LEU A 59 -10.737 15.756 6.119 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.206 17.930 5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.528 16.203 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.089 17.621 3.209 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.527 15.085 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.360 15.177 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.053 15.204 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.272 16.706 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.579 16.162 2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.421 17.729 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.971 16.906 4.143 1.00 0.00 H new ATOM 884 N PRO A 60 -10.863 19.876 4.868 1.00 0.00 N ATOM 885 CA PRO A 60 -11.652 21.093 5.082 1.00 0.00 C ATOM 886 C PRO A 60 -13.056 20.984 4.497 1.00 0.00 C ATOM 887 O PRO A 60 -13.448 19.931 3.996 1.00 0.00 O ATOM 888 CB PRO A 60 -10.849 22.170 4.348 1.00 0.00 C ATOM 889 CG PRO A 60 -10.085 21.429 3.306 1.00 0.00 C ATOM 890 CD PRO A 60 -9.773 20.083 3.900 1.00 0.00 C ATOM 0 HA PRO A 60 -11.801 21.301 6.142 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.505 22.917 3.901 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.181 22.698 5.028 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.670 21.326 2.392 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.171 21.960 3.041 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.757 19.302 3.140 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.797 20.075 4.386 1.00 0.00 H new ATOM 898 N GLU A 61 -13.807 22.079 4.564 1.00 0.00 N ATOM 899 CA GLU A 61 -15.167 22.105 4.041 1.00 0.00 C ATOM 900 C GLU A 61 -15.169 22.368 2.538 1.00 0.00 C ATOM 901 O GLU A 61 -14.166 22.805 1.973 1.00 0.00 O ATOM 902 CB GLU A 61 -15.994 23.174 4.758 1.00 0.00 C ATOM 903 CG GLU A 61 -17.481 22.867 4.803 1.00 0.00 C ATOM 904 CD GLU A 61 -18.265 23.888 5.604 1.00 0.00 C ATOM 905 OE1 GLU A 61 -17.851 25.066 5.628 1.00 0.00 O ATOM 906 OE2 GLU A 61 -19.291 23.509 6.206 1.00 0.00 O ATOM 0 H GLU A 61 -13.496 22.959 4.975 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.615 21.128 4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.624 23.284 5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.845 24.132 4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.871 22.832 3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.631 21.878 5.237 1.00 0.00 H new ATOM 913 N GLY A 62 -16.301 22.101 1.896 1.00 0.00 N ATOM 914 CA GLY A 62 -16.411 22.314 0.464 1.00 0.00 C ATOM 915 C GLY A 62 -15.240 21.730 -0.301 1.00 0.00 C ATOM 916 O GLY A 62 -14.972 22.124 -1.435 1.00 0.00 O ATOM 0 H GLY A 62 -17.145 21.741 2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -17.337 21.865 0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.475 23.383 0.263 1.00 0.00 H new ATOM 920 N VAL A 63 -14.540 20.787 0.321 1.00 0.00 N ATOM 921 CA VAL A 63 -13.390 20.148 -0.308 1.00 0.00 C ATOM 922 C VAL A 63 -13.668 18.675 -0.591 1.00 0.00 C ATOM 923 O VAL A 63 -14.665 18.121 -0.130 1.00 0.00 O ATOM 924 CB VAL A 63 -12.132 20.262 0.573 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.155 19.213 1.675 1.00 0.00 C ATOM 926 CG2 VAL A 63 -10.875 20.130 -0.274 1.00 0.00 C ATOM 0 H VAL A 63 -14.749 20.448 1.260 1.00 0.00 H new ATOM 0 HA VAL A 63 -13.213 20.669 -1.249 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.125 21.246 1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.258 19.309 2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.037 19.359 2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.186 18.218 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.996 20.213 0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.872 19.160 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.856 20.922 -1.023 1.00 0.00 H new ATOM 936 N ALA A 64 -12.777 18.048 -1.352 1.00 0.00 N ATOM 937 CA ALA A 64 -12.924 16.638 -1.694 1.00 0.00 C ATOM 938 C ALA A 64 -11.564 15.979 -1.900 1.00 0.00 C ATOM 939 O ALA A 64 -10.786 16.394 -2.759 1.00 0.00 O ATOM 940 CB ALA A 64 -13.782 16.485 -2.941 1.00 0.00 C ATOM 0 H ALA A 64 -11.947 18.493 -1.743 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.419 16.137 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.884 15.428 -3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.768 16.912 -2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.310 17.006 -3.774 1.00 0.00 H new ATOM 946 N PHE A 65 -11.285 14.949 -1.107 1.00 0.00 N ATOM 947 CA PHE A 65 -10.017 14.234 -1.202 1.00 0.00 C ATOM 948 C PHE A 65 -9.533 14.177 -2.648 1.00 0.00 C ATOM 949 O PHE A 65 -10.236 13.690 -3.533 1.00 0.00 O ATOM 950 CB PHE A 65 -10.166 12.816 -0.646 1.00 0.00 C ATOM 951 CG PHE A 65 -8.987 11.932 -0.937 1.00 0.00 C ATOM 952 CD1 PHE A 65 -7.792 12.101 -0.256 1.00 0.00 C ATOM 953 CD2 PHE A 65 -9.074 10.931 -1.891 1.00 0.00 C ATOM 954 CE1 PHE A 65 -6.706 11.289 -0.522 1.00 0.00 C ATOM 955 CE2 PHE A 65 -7.991 10.116 -2.162 1.00 0.00 C ATOM 956 CZ PHE A 65 -6.806 10.295 -1.476 1.00 0.00 C ATOM 0 H PHE A 65 -11.919 14.591 -0.392 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.277 14.774 -0.611 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.312 12.871 0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.063 12.362 -1.066 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.708 12.876 0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.999 10.786 -2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.780 11.431 0.015 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.071 9.340 -2.909 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.959 9.659 -1.685 1.00 0.00 H new ATOM 966 N LYS A 66 -8.324 14.678 -2.879 1.00 0.00 N ATOM 967 CA LYS A 66 -7.741 14.686 -4.216 1.00 0.00 C ATOM 968 C LYS A 66 -6.251 15.004 -4.159 1.00 0.00 C ATOM 969 O LYS A 66 -5.709 15.298 -3.092 1.00 0.00 O ATOM 970 CB LYS A 66 -8.458 15.708 -5.102 1.00 0.00 C ATOM 971 CG LYS A 66 -8.256 17.146 -4.657 1.00 0.00 C ATOM 972 CD LYS A 66 -8.906 18.125 -5.620 1.00 0.00 C ATOM 973 CE LYS A 66 -10.358 18.388 -5.252 1.00 0.00 C ATOM 974 NZ LYS A 66 -10.828 19.708 -5.754 1.00 0.00 N ATOM 0 H LYS A 66 -7.728 15.084 -2.157 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.866 13.692 -4.645 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.103 15.600 -6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.525 15.485 -5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.676 17.282 -3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.189 17.359 -4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.352 19.064 -5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.853 17.729 -6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.986 17.598 -5.665 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.470 18.351 -4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.822 19.849 -5.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.246 20.464 -5.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.745 19.735 -6.790 1.00 0.00 H new ATOM 988 N HIS A 67 -5.592 14.944 -5.312 1.00 0.00 N ATOM 989 CA HIS A 67 -4.164 15.228 -5.392 1.00 0.00 C ATOM 990 C HIS A 67 -3.823 16.519 -4.654 1.00 0.00 C ATOM 991 O HIS A 67 -4.560 17.504 -4.705 1.00 0.00 O ATOM 992 CB HIS A 67 -3.725 15.331 -6.854 1.00 0.00 C ATOM 993 CG HIS A 67 -2.312 14.894 -7.086 1.00 0.00 C ATOM 994 ND1 HIS A 67 -1.233 15.747 -6.985 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.802 13.684 -7.415 1.00 0.00 C ATOM 996 CE1 HIS A 67 -0.121 15.081 -7.243 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.439 13.827 -7.507 1.00 0.00 N ATOM 0 H HIS A 67 -6.024 14.701 -6.203 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.628 14.407 -4.916 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.390 14.724 -7.468 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.837 16.363 -7.187 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.363 12.775 -7.575 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.878 15.492 -7.239 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.220 13.085 -7.741 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.683 16.514 -3.949 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.219 17.677 -3.186 1.00 0.00 C ATOM 1007 C PRO A 68 -1.773 18.823 -4.089 1.00 0.00 C ATOM 1008 O PRO A 68 -1.320 19.861 -3.610 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.032 17.130 -2.390 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.541 15.974 -3.191 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.756 15.375 -3.843 1.00 0.00 C ATOM 0 HA PRO A 68 -3.009 18.097 -2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.256 17.885 -2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.335 16.819 -1.390 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.184 16.297 -3.939 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.039 15.244 -2.556 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.521 14.956 -4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.177 14.568 -3.243 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.906 18.626 -5.396 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.515 19.643 -6.365 1.00 0.00 C ATOM 1021 C GLU A 69 -2.726 20.448 -6.828 1.00 0.00 C ATOM 1022 O GLU A 69 -2.585 21.540 -7.375 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.829 18.995 -7.570 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.801 18.430 -8.592 1.00 0.00 C ATOM 1025 CD GLU A 69 -1.107 17.629 -9.677 1.00 0.00 C ATOM 1026 OE1 GLU A 69 -0.315 18.224 -10.438 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -1.356 16.410 -9.766 1.00 0.00 O ATOM 0 H GLU A 69 -2.281 17.772 -5.809 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.814 20.321 -5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.193 19.734 -8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.177 18.195 -7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.527 17.795 -8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.358 19.248 -9.049 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.915 19.899 -6.602 1.00 0.00 N ATOM 1035 CA ASN A 70 -5.151 20.565 -6.995 1.00 0.00 C ATOM 1036 C ASN A 70 -5.633 21.509 -5.899 1.00 0.00 C ATOM 1037 O ASN A 70 -6.535 22.320 -6.115 1.00 0.00 O ATOM 1038 CB ASN A 70 -6.235 19.531 -7.307 1.00 0.00 C ATOM 1039 CG ASN A 70 -6.091 18.943 -8.698 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -6.305 19.629 -9.698 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -5.727 17.668 -8.767 1.00 0.00 N ATOM 0 H ASN A 70 -4.049 18.995 -6.149 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.949 21.152 -7.891 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.191 18.729 -6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.216 19.997 -7.212 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.614 17.218 -9.676 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.560 17.138 -7.911 1.00 0.00 H new ATOM 1048 N TYR A 71 -5.027 21.399 -4.722 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.396 22.241 -3.591 1.00 0.00 C ATOM 1050 C TYR A 71 -4.610 23.548 -3.606 1.00 0.00 C ATOM 1051 O TYR A 71 -3.396 23.559 -3.403 1.00 0.00 O ATOM 1052 CB TYR A 71 -5.150 21.500 -2.275 1.00 0.00 C ATOM 1053 CG TYR A 71 -6.087 20.335 -2.051 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.455 20.470 -2.249 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.602 19.097 -1.644 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -8.314 19.408 -2.045 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.455 18.030 -1.439 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.809 18.190 -1.640 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.662 17.129 -1.438 1.00 0.00 O ATOM 0 H TYR A 71 -4.278 20.735 -4.527 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.457 22.475 -3.676 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.122 21.137 -2.259 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.253 22.202 -1.448 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.854 21.422 -2.568 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.542 18.968 -1.486 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.376 19.531 -2.202 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.063 17.075 -1.123 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.516 17.306 -1.885 1.00 0.00 H new ATOM 1069 N ASP A 72 -5.312 24.650 -3.848 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.683 25.964 -3.888 1.00 0.00 C ATOM 1071 C ASP A 72 -3.636 26.100 -2.786 1.00 0.00 C ATOM 1072 O ASP A 72 -3.804 25.571 -1.687 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.737 27.064 -3.746 1.00 0.00 C ATOM 1074 CG ASP A 72 -7.075 26.661 -4.334 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -7.211 26.690 -5.575 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -7.986 26.317 -3.552 1.00 0.00 O ATOM 0 H ASP A 72 -6.317 24.659 -4.019 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.186 26.071 -4.852 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.865 27.307 -2.691 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.383 27.969 -4.241 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.555 26.811 -3.088 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.481 27.016 -2.123 1.00 0.00 C ATOM 1083 C LEU A 73 -2.042 27.260 -0.726 1.00 0.00 C ATOM 1084 O LEU A 73 -1.589 26.659 0.249 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.607 28.198 -2.547 1.00 0.00 C ATOM 1086 CG LEU A 73 0.530 28.568 -1.594 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.211 27.316 -1.063 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.539 29.470 -2.291 1.00 0.00 C ATOM 0 H LEU A 73 -2.399 27.255 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.873 26.112 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.177 27.975 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.247 29.071 -2.673 1.00 0.00 H new ATOM 0 HG LEU A 73 0.107 29.113 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.017 27.599 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.484 26.706 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.620 26.743 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.341 29.723 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.956 28.951 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.044 30.383 -2.621 1.00 0.00 H new ATOM 1100 N ALA A 74 -3.031 28.143 -0.637 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.656 28.462 0.640 1.00 0.00 C ATOM 1102 C ALA A 74 -4.284 27.223 1.270 1.00 0.00 C ATOM 1103 O ALA A 74 -4.130 26.975 2.466 1.00 0.00 O ATOM 1104 CB ALA A 74 -4.704 29.551 0.457 1.00 0.00 C ATOM 0 H ALA A 74 -3.416 28.650 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.881 28.827 1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.163 29.780 1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.231 30.448 0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.470 29.206 -0.238 1.00 0.00 H new ATOM 1110 N THR A 75 -4.992 26.446 0.456 1.00 0.00 N ATOM 1111 CA THR A 75 -5.645 25.232 0.934 1.00 0.00 C ATOM 1112 C THR A 75 -4.622 24.221 1.438 1.00 0.00 C ATOM 1113 O THR A 75 -4.772 23.661 2.525 1.00 0.00 O ATOM 1114 CB THR A 75 -6.495 24.579 -0.172 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.420 25.532 -0.707 1.00 0.00 O ATOM 1116 CG2 THR A 75 -7.253 23.376 0.367 1.00 0.00 C ATOM 0 H THR A 75 -5.128 26.635 -0.537 1.00 0.00 H new ATOM 0 HA THR A 75 -6.297 25.526 1.757 1.00 0.00 H new ATOM 0 HB THR A 75 -5.825 24.241 -0.962 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.372 25.520 -1.686 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.846 22.932 -0.432 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.544 22.639 0.746 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.913 23.694 1.175 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.584 23.990 0.642 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.534 23.045 1.009 1.00 0.00 C ATOM 1126 C LEU A 76 -2.085 23.263 2.451 1.00 0.00 C ATOM 1127 O LEU A 76 -2.175 22.360 3.283 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.341 23.186 0.064 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.406 22.371 -1.228 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.309 22.803 -2.188 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.299 20.884 -0.926 1.00 0.00 C ATOM 0 H LEU A 76 -3.446 24.443 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.940 22.037 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.234 24.238 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.439 22.900 0.605 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.369 22.556 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.371 22.212 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.432 23.859 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.664 22.649 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.347 20.319 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.351 20.681 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.122 20.584 -0.277 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.603 24.466 2.739 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.142 24.805 4.081 1.00 0.00 C ATOM 1145 C LYS A 77 -2.133 24.321 5.135 1.00 0.00 C ATOM 1146 O LYS A 77 -1.740 23.792 6.173 1.00 0.00 O ATOM 1147 CB LYS A 77 -0.945 26.317 4.208 1.00 0.00 C ATOM 1148 CG LYS A 77 0.096 26.876 3.253 1.00 0.00 C ATOM 1149 CD LYS A 77 0.009 28.390 3.158 1.00 0.00 C ATOM 1150 CE LYS A 77 1.299 28.991 2.621 1.00 0.00 C ATOM 1151 NZ LYS A 77 1.347 30.467 2.814 1.00 0.00 N ATOM 0 H LYS A 77 -1.521 25.224 2.061 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.188 24.305 4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.897 26.816 4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.651 26.552 5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.092 26.588 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.045 26.440 2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.821 28.668 2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.205 28.806 4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.150 28.531 3.123 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.393 28.760 1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.242 30.838 2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.549 30.909 2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.284 30.687 3.829 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.419 24.506 4.859 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.467 24.086 5.784 1.00 0.00 C ATOM 1167 C TRP A 78 -4.353 22.599 6.097 1.00 0.00 C ATOM 1168 O TRP A 78 -4.190 22.210 7.254 1.00 0.00 O ATOM 1169 CB TRP A 78 -5.846 24.392 5.197 1.00 0.00 C ATOM 1170 CG TRP A 78 -6.964 24.196 6.175 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.568 25.159 6.932 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.610 22.961 6.503 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.551 24.596 7.711 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.597 23.249 7.465 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.452 21.640 6.075 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.419 22.264 8.006 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.268 20.663 6.614 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.242 20.979 7.569 1.00 0.00 C ATOM 0 H TRP A 78 -3.761 24.943 4.004 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.343 24.644 6.712 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.861 25.422 4.841 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.014 23.752 4.331 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.311 26.208 6.920 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.149 25.100 8.366 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.706 21.387 5.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.170 22.505 8.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.152 19.638 6.293 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.866 20.193 7.969 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.438 21.772 5.060 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.343 20.327 5.226 1.00 0.00 C ATOM 1191 C ILE A 79 -3.248 19.958 6.221 1.00 0.00 C ATOM 1192 O ILE A 79 -3.496 19.258 7.203 1.00 0.00 O ATOM 1193 CB ILE A 79 -4.061 19.623 3.886 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.284 19.712 2.970 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.673 18.171 4.121 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -4.996 19.323 1.537 1.00 0.00 C ATOM 0 H ILE A 79 -4.572 22.078 4.096 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.307 19.990 5.608 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.227 20.127 3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.069 19.066 3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.670 20.731 2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.477 17.687 3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.776 18.130 4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.488 17.654 4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.908 19.410 0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.233 19.985 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.639 18.294 1.504 1.00 0.00 H new ATOM 1208 N LEU A 80 -2.036 20.436 5.962 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.902 20.160 6.836 1.00 0.00 C ATOM 1210 C LEU A 80 -1.164 20.673 8.248 1.00 0.00 C ATOM 1211 O LEU A 80 -0.778 20.040 9.230 1.00 0.00 O ATOM 1212 CB LEU A 80 0.369 20.802 6.275 1.00 0.00 C ATOM 1213 CG LEU A 80 1.151 19.969 5.261 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.247 20.803 4.615 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.741 18.734 5.926 1.00 0.00 C ATOM 0 H LEU A 80 -1.814 21.017 5.154 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.766 19.080 6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.097 21.748 5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.031 21.038 7.108 1.00 0.00 H new ATOM 0 HG LEU A 80 0.463 19.644 4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.793 20.192 3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.801 21.656 4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.933 21.160 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.294 18.153 5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.414 19.039 6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.937 18.124 6.339 1.00 0.00 H new ATOM 1227 N GLU A 81 -1.825 21.823 8.341 1.00 0.00 N ATOM 1228 CA GLU A 81 -2.140 22.420 9.634 1.00 0.00 C ATOM 1229 C GLU A 81 -3.056 21.508 10.445 1.00 0.00 C ATOM 1230 O GLU A 81 -2.747 21.154 11.582 1.00 0.00 O ATOM 1231 CB GLU A 81 -2.802 23.785 9.441 1.00 0.00 C ATOM 1232 CG GLU A 81 -1.825 24.948 9.487 1.00 0.00 C ATOM 1233 CD GLU A 81 -2.521 26.293 9.564 1.00 0.00 C ATOM 1234 OE1 GLU A 81 -3.033 26.757 8.523 1.00 0.00 O ATOM 1235 OE2 GLU A 81 -2.553 26.882 10.665 1.00 0.00 O ATOM 0 H GLU A 81 -2.152 22.359 7.537 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.207 22.551 10.183 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.321 23.795 8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.557 23.925 10.214 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.169 24.833 10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.192 24.921 8.600 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.183 21.131 9.852 1.00 0.00 N ATOM 1243 CA ASN A 82 -5.145 20.262 10.519 1.00 0.00 C ATOM 1244 C ASN A 82 -4.979 18.815 10.064 1.00 0.00 C ATOM 1245 O ASN A 82 -5.959 18.098 9.866 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.573 20.735 10.238 1.00 0.00 C ATOM 1247 CG ASN A 82 -6.846 22.117 10.800 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -7.827 22.328 11.511 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -5.974 23.067 10.481 1.00 0.00 N ATOM 0 H ASN A 82 -4.453 21.414 8.910 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.957 20.311 11.592 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.745 20.743 9.162 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.279 20.025 10.668 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.104 24.017 10.829 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.174 22.847 9.888 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.729 18.393 9.902 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.431 17.032 9.472 1.00 0.00 C ATOM 1258 C LYS A 83 -3.387 16.082 10.665 1.00 0.00 C ATOM 1259 O LYS A 83 -3.828 14.937 10.575 1.00 0.00 O ATOM 1260 CB LYS A 83 -2.097 16.992 8.724 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.885 17.051 9.639 1.00 0.00 C ATOM 1262 CD LYS A 83 0.409 17.132 8.846 1.00 0.00 C ATOM 1263 CE LYS A 83 1.585 16.589 9.642 1.00 0.00 C ATOM 1264 NZ LYS A 83 2.751 16.280 8.769 1.00 0.00 N ATOM 0 H LYS A 83 -2.906 18.974 10.062 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.226 16.707 8.801 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.050 16.079 8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.056 17.828 8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.965 17.917 10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.867 16.168 10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.305 16.569 7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.603 18.168 8.569 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.880 17.318 10.397 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.279 15.687 10.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.594 16.125 9.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.553 15.422 8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.922 17.077 8.123 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.852 16.566 11.780 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.754 15.762 12.993 1.00 0.00 C ATOM 1280 C ALA A 84 -4.013 14.928 13.201 1.00 0.00 C ATOM 1281 O ALA A 84 -3.979 13.888 13.859 1.00 0.00 O ATOM 1282 CB ALA A 84 -2.502 16.654 14.200 1.00 0.00 C ATOM 0 H ALA A 84 -2.479 17.511 11.869 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.912 15.079 12.880 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.431 16.040 15.098 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.570 17.201 14.060 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.325 17.361 14.308 1.00 0.00 H new ATOM 1288 N GLY A 85 -5.124 15.391 12.639 1.00 0.00 N ATOM 1289 CA GLY A 85 -6.380 14.676 12.776 1.00 0.00 C ATOM 1290 C GLY A 85 -6.683 13.801 11.576 1.00 0.00 C ATOM 1291 O GLY A 85 -7.308 12.749 11.709 1.00 0.00 O ATOM 0 H GLY A 85 -5.178 16.249 12.091 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.347 14.058 13.673 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.190 15.393 12.913 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.239 14.236 10.402 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.467 13.485 9.173 1.00 0.00 C ATOM 1297 C ILE A 86 -6.246 11.992 9.394 1.00 0.00 C ATOM 1298 O ILE A 86 -5.116 11.543 9.590 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.545 13.967 8.038 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.099 15.248 7.411 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.388 12.880 6.985 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.189 15.848 6.362 1.00 0.00 C ATOM 0 H ILE A 86 -5.719 15.105 10.275 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.504 13.659 8.884 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.562 14.185 8.456 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.068 15.033 6.960 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.269 15.984 8.197 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.733 13.236 6.189 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.953 11.991 7.442 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.365 12.633 6.568 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.644 16.753 5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.228 16.095 6.812 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.039 15.129 5.557 1.00 0.00 H new ATOM 1314 N SER A 87 -7.332 11.226 9.359 1.00 0.00 N ATOM 1315 CA SER A 87 -7.257 9.783 9.556 1.00 0.00 C ATOM 1316 C SER A 87 -7.829 9.039 8.352 1.00 0.00 C ATOM 1317 O SER A 87 -8.856 9.430 7.798 1.00 0.00 O ATOM 1318 CB SER A 87 -8.012 9.381 10.824 1.00 0.00 C ATOM 1319 OG SER A 87 -7.560 10.123 11.944 1.00 0.00 O ATOM 0 H SER A 87 -8.274 11.581 9.196 1.00 0.00 H new ATOM 0 HA SER A 87 -6.207 9.510 9.664 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.080 9.545 10.682 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.875 8.316 11.010 1.00 0.00 H new ATOM 0 HG SER A 87 -7.851 11.055 11.858 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.156 7.965 7.955 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.595 7.166 6.817 1.00 0.00 C ATOM 1327 C PHE A 88 -8.378 5.942 7.281 1.00 0.00 C ATOM 1328 O PHE A 88 -7.885 5.144 8.079 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.391 6.728 5.978 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.044 7.690 4.879 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -5.703 9.002 5.170 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -6.061 7.285 3.554 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.383 9.890 4.160 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -5.742 8.168 2.541 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.403 9.472 2.844 1.00 0.00 C ATOM 0 H PHE A 88 -6.305 7.628 8.404 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.251 7.784 6.204 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.527 6.609 6.632 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.598 5.751 5.542 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.687 9.334 6.198 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.327 6.267 3.311 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.118 10.909 4.400 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.758 7.839 1.512 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.154 10.164 2.053 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.600 5.802 6.778 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.450 4.675 7.140 1.00 0.00 C ATOM 1347 C ILE A 89 -10.575 3.687 5.986 1.00 0.00 C ATOM 1348 O ILE A 89 -11.208 3.979 4.971 1.00 0.00 O ATOM 1349 CB ILE A 89 -11.858 5.144 7.555 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -11.760 6.277 8.579 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.658 3.979 8.121 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -11.783 7.655 7.957 1.00 0.00 C ATOM 0 H ILE A 89 -10.023 6.455 6.119 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.975 4.181 7.987 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.375 5.521 6.673 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.587 6.191 9.284 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.840 6.160 9.151 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.650 4.325 8.410 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.752 3.200 7.364 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.146 3.576 8.995 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -11.710 8.409 8.741 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.941 7.760 7.273 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -12.715 7.791 7.408 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.969 2.515 6.149 1.00 0.00 N ATOM 1365 CA ILE A 90 -10.015 1.483 5.122 1.00 0.00 C ATOM 1366 C ILE A 90 -11.291 0.656 5.230 1.00 0.00 C ATOM 1367 O ILE A 90 -11.490 -0.078 6.200 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.799 0.543 5.214 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.840 0.797 4.048 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -9.251 -0.909 5.227 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.784 1.836 4.351 1.00 0.00 C ATOM 0 H ILE A 90 -9.441 2.257 6.983 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.997 1.995 4.160 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.271 0.747 6.146 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.351 -0.139 3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.414 1.117 3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.380 -1.561 5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.898 -1.081 6.087 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.800 -1.127 4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.140 1.965 3.481 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.265 2.785 4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.185 1.509 5.201 1.00 0.00 H new ATOM 1383 N LYS A 91 -12.156 0.777 4.229 1.00 0.00 N ATOM 1384 CA LYS A 91 -13.413 0.039 4.208 1.00 0.00 C ATOM 1385 C LYS A 91 -13.248 -1.298 3.493 1.00 0.00 C ATOM 1386 O LYS A 91 -13.901 -2.283 3.840 1.00 0.00 O ATOM 1387 CB LYS A 91 -14.503 0.866 3.520 1.00 0.00 C ATOM 1388 CG LYS A 91 -14.541 2.316 3.972 1.00 0.00 C ATOM 1389 CD LYS A 91 -15.514 2.517 5.121 1.00 0.00 C ATOM 1390 CE LYS A 91 -15.809 3.990 5.351 1.00 0.00 C ATOM 1391 NZ LYS A 91 -17.167 4.202 5.926 1.00 0.00 N ATOM 0 H LYS A 91 -12.009 1.381 3.420 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.708 -0.155 5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -14.346 0.834 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.473 0.408 3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.543 2.628 4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.829 2.952 3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.443 1.988 4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -15.100 2.082 6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -15.061 4.409 6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.727 4.528 4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.329 5.219 6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.883 3.825 5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.238 3.710 6.839 1.00 0.00 H new ATOM 1405 N ARG A 92 -12.370 -1.326 2.496 1.00 0.00 N ATOM 1406 CA ARG A 92 -12.119 -2.543 1.733 1.00 0.00 C ATOM 1407 C ARG A 92 -11.054 -2.306 0.667 1.00 0.00 C ATOM 1408 O ARG A 92 -11.117 -1.352 -0.108 1.00 0.00 O ATOM 1409 CB ARG A 92 -13.411 -3.035 1.078 1.00 0.00 C ATOM 1410 CG ARG A 92 -13.180 -3.996 -0.076 1.00 0.00 C ATOM 1411 CD ARG A 92 -12.780 -3.257 -1.345 1.00 0.00 C ATOM 1412 NE ARG A 92 -13.274 -3.925 -2.546 1.00 0.00 N ATOM 1413 CZ ARG A 92 -13.316 -3.349 -3.742 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -12.892 -2.101 -3.895 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -13.779 -4.020 -4.788 1.00 0.00 N ATOM 0 H ARG A 92 -11.821 -0.520 2.198 1.00 0.00 H new ATOM 0 HA ARG A 92 -11.756 -3.306 2.422 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -14.026 -3.527 1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.976 -2.175 0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.400 -4.708 0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -14.088 -4.571 -0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.169 -2.240 -1.310 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.694 -3.181 -1.393 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.605 -4.886 -2.462 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.533 -1.582 -3.093 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.925 -1.660 -4.814 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.104 -4.980 -4.675 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.810 -3.576 -5.706 1.00 0.00 H new ATOM 1429 N PRO A 93 -10.049 -3.195 0.626 1.00 0.00 N ATOM 1430 CA PRO A 93 -8.951 -3.104 -0.341 1.00 0.00 C ATOM 1431 C PRO A 93 -9.406 -3.405 -1.765 1.00 0.00 C ATOM 1432 O PRO A 93 -9.949 -4.474 -2.041 1.00 0.00 O ATOM 1433 CB PRO A 93 -7.965 -4.170 0.142 1.00 0.00 C ATOM 1434 CG PRO A 93 -8.802 -5.152 0.886 1.00 0.00 C ATOM 1435 CD PRO A 93 -9.909 -4.356 1.520 1.00 0.00 C ATOM 0 HA PRO A 93 -8.528 -2.100 -0.385 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.451 -4.642 -0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.198 -3.737 0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.203 -5.911 0.214 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.214 -5.673 1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.833 -4.930 1.580 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.655 -4.053 2.536 1.00 0.00 H new ATOM 1443 N PHE A 94 -9.179 -2.454 -2.666 1.00 0.00 N ATOM 1444 CA PHE A 94 -9.567 -2.618 -4.062 1.00 0.00 C ATOM 1445 C PHE A 94 -9.346 -4.056 -4.523 1.00 0.00 C ATOM 1446 O PHE A 94 -8.541 -4.788 -3.946 1.00 0.00 O ATOM 1447 CB PHE A 94 -8.771 -1.659 -4.950 1.00 0.00 C ATOM 1448 CG PHE A 94 -8.364 -0.392 -4.251 1.00 0.00 C ATOM 1449 CD1 PHE A 94 -7.253 -0.368 -3.423 1.00 0.00 C ATOM 1450 CD2 PHE A 94 -9.094 0.773 -4.421 1.00 0.00 C ATOM 1451 CE1 PHE A 94 -6.877 0.795 -2.779 1.00 0.00 C ATOM 1452 CE2 PHE A 94 -8.722 1.939 -3.780 1.00 0.00 C ATOM 1453 CZ PHE A 94 -7.613 1.950 -2.957 1.00 0.00 C ATOM 0 H PHE A 94 -8.729 -1.563 -2.454 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.629 -2.386 -4.148 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.878 -2.168 -5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.369 -1.406 -5.825 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.675 -1.269 -3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.963 0.770 -5.062 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.008 0.801 -2.137 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -9.298 2.841 -3.922 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.322 2.860 -2.454 1.00 0.00 H new ATOM 1463 N LEU A 95 -10.068 -4.454 -5.565 1.00 0.00 N ATOM 1464 CA LEU A 95 -9.953 -5.805 -6.104 1.00 0.00 C ATOM 1465 C LEU A 95 -8.499 -6.147 -6.409 1.00 0.00 C ATOM 1466 O LEU A 95 -7.813 -5.408 -7.113 1.00 0.00 O ATOM 1467 CB LEU A 95 -10.799 -5.943 -7.371 1.00 0.00 C ATOM 1468 CG LEU A 95 -12.264 -6.329 -7.163 1.00 0.00 C ATOM 1469 CD1 LEU A 95 -13.062 -6.104 -8.437 1.00 0.00 C ATOM 1470 CD2 LEU A 95 -12.373 -7.779 -6.711 1.00 0.00 C ATOM 0 H LEU A 95 -10.739 -3.861 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.320 -6.503 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.767 -4.996 -7.910 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.335 -6.691 -8.014 1.00 0.00 H new ATOM 0 HG LEU A 95 -12.681 -5.693 -6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -14.102 -6.384 -8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -13.010 -5.052 -8.718 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -12.647 -6.714 -9.239 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.422 -8.037 -6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.939 -8.430 -7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.836 -7.909 -5.772 1.00 0.00 H new ATOM 1482 N GLU A 96 -8.037 -7.274 -5.876 1.00 0.00 N ATOM 1483 CA GLU A 96 -6.664 -7.715 -6.094 1.00 0.00 C ATOM 1484 C GLU A 96 -6.619 -9.198 -6.451 1.00 0.00 C ATOM 1485 O GLU A 96 -6.401 -10.061 -5.600 1.00 0.00 O ATOM 1486 CB GLU A 96 -5.818 -7.454 -4.846 1.00 0.00 C ATOM 1487 CG GLU A 96 -5.540 -5.980 -4.597 1.00 0.00 C ATOM 1488 CD GLU A 96 -4.627 -5.752 -3.408 1.00 0.00 C ATOM 1489 OE1 GLU A 96 -3.609 -6.467 -3.295 1.00 0.00 O ATOM 1490 OE2 GLU A 96 -4.929 -4.857 -2.592 1.00 0.00 O ATOM 0 H GLU A 96 -8.593 -7.898 -5.291 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.254 -7.146 -6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.328 -7.871 -3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.870 -7.983 -4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.087 -5.544 -5.487 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.483 -5.459 -4.432 1.00 0.00 H new ATOM 1497 N PRO A 97 -6.830 -9.503 -7.740 1.00 0.00 N ATOM 1498 CA PRO A 97 -6.818 -10.880 -8.240 1.00 0.00 C ATOM 1499 C PRO A 97 -5.422 -11.491 -8.222 1.00 0.00 C ATOM 1500 O PRO A 97 -4.456 -10.850 -7.808 1.00 0.00 O ATOM 1501 CB PRO A 97 -7.323 -10.740 -9.678 1.00 0.00 C ATOM 1502 CG PRO A 97 -6.980 -9.343 -10.065 1.00 0.00 C ATOM 1503 CD PRO A 97 -7.096 -8.525 -8.808 1.00 0.00 C ATOM 0 HA PRO A 97 -7.425 -11.543 -7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.844 -11.463 -10.338 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -8.397 -10.916 -9.739 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.971 -9.288 -10.475 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.657 -8.974 -10.835 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.376 -7.707 -8.793 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -8.086 -8.080 -8.708 1.00 0.00 H new ATOM 1511 N LYS A 98 -5.320 -12.736 -8.675 1.00 0.00 N ATOM 1512 CA LYS A 98 -4.040 -13.435 -8.714 1.00 0.00 C ATOM 1513 C LYS A 98 -4.062 -14.553 -9.752 1.00 0.00 C ATOM 1514 O LYS A 98 -5.114 -15.122 -10.045 1.00 0.00 O ATOM 1515 CB LYS A 98 -3.708 -14.010 -7.335 1.00 0.00 C ATOM 1516 CG LYS A 98 -4.318 -15.379 -7.085 1.00 0.00 C ATOM 1517 CD LYS A 98 -3.779 -16.004 -5.808 1.00 0.00 C ATOM 1518 CE LYS A 98 -2.478 -16.750 -6.059 1.00 0.00 C ATOM 1519 NZ LYS A 98 -2.293 -17.879 -5.105 1.00 0.00 N ATOM 0 H LYS A 98 -6.109 -13.282 -9.021 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.270 -12.717 -8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.625 -14.079 -7.230 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.059 -13.319 -6.568 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.402 -15.289 -7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.104 -16.034 -7.930 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.616 -15.226 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.520 -16.690 -5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.470 -17.132 -7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.640 -16.059 -5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.395 -18.362 -5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.276 -17.512 -4.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.079 -18.552 -5.207 1.00 0.00 H new ATOM 1533 N LYS A 99 -2.895 -14.865 -10.302 1.00 0.00 N ATOM 1534 CA LYS A 99 -2.778 -15.918 -11.305 1.00 0.00 C ATOM 1535 C LYS A 99 -1.319 -16.148 -11.686 1.00 0.00 C ATOM 1536 O LYS A 99 -0.418 -15.494 -11.157 1.00 0.00 O ATOM 1537 CB LYS A 99 -3.589 -15.556 -12.550 1.00 0.00 C ATOM 1538 CG LYS A 99 -2.985 -14.423 -13.362 1.00 0.00 C ATOM 1539 CD LYS A 99 -3.448 -13.066 -12.857 1.00 0.00 C ATOM 1540 CE LYS A 99 -4.729 -12.623 -13.546 1.00 0.00 C ATOM 1541 NZ LYS A 99 -5.913 -13.381 -13.056 1.00 0.00 N ATOM 0 H LYS A 99 -2.015 -14.404 -10.071 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.173 -16.839 -10.876 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.679 -16.438 -13.184 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.598 -15.277 -12.247 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.898 -14.479 -13.313 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.263 -14.537 -14.410 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.610 -13.113 -11.780 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -2.666 -12.326 -13.029 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.884 -11.558 -13.375 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.629 -12.762 -14.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.777 -12.834 -13.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.968 -14.296 -13.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.822 -13.543 -12.033 1.00 0.00 H new ATOM 1555 N HIS A 100 -1.091 -17.081 -12.604 1.00 0.00 N ATOM 1556 CA HIS A 100 0.259 -17.396 -13.057 1.00 0.00 C ATOM 1557 C HIS A 100 0.229 -18.412 -14.195 1.00 0.00 C ATOM 1558 O HIS A 100 -0.299 -19.513 -14.043 1.00 0.00 O ATOM 1559 CB HIS A 100 1.095 -17.937 -11.897 1.00 0.00 C ATOM 1560 CG HIS A 100 2.509 -18.254 -12.274 1.00 0.00 C ATOM 1561 ND1 HIS A 100 3.065 -19.507 -12.126 1.00 0.00 N ATOM 1562 CD2 HIS A 100 3.482 -17.472 -12.797 1.00 0.00 C ATOM 1563 CE1 HIS A 100 4.319 -19.483 -12.541 1.00 0.00 C ATOM 1564 NE2 HIS A 100 4.598 -18.259 -12.954 1.00 0.00 N ATOM 0 H HIS A 100 -1.824 -17.633 -13.049 1.00 0.00 H new ATOM 0 HA HIS A 100 0.714 -16.477 -13.427 1.00 0.00 H new ATOM 0 HB2 HIS A 100 1.098 -17.204 -11.090 1.00 0.00 H new ATOM 0 HB3 HIS A 100 0.621 -18.838 -11.508 1.00 0.00 H new ATOM 0 HD2 HIS A 100 3.397 -16.424 -13.045 1.00 0.00 H new ATOM 0 HE1 HIS A 100 5.000 -20.321 -12.543 1.00 0.00 H new ATOM 0 HE2 HIS A 100 5.495 -17.949 -13.328 1.00 0.00 H new ATOM 1572 N VAL A 101 0.796 -18.033 -15.335 1.00 0.00 N ATOM 1573 CA VAL A 101 0.834 -18.911 -16.498 1.00 0.00 C ATOM 1574 C VAL A 101 2.270 -19.202 -16.922 1.00 0.00 C ATOM 1575 O VAL A 101 3.098 -18.295 -17.010 1.00 0.00 O ATOM 1576 CB VAL A 101 0.074 -18.296 -17.690 1.00 0.00 C ATOM 1577 CG1 VAL A 101 0.412 -16.821 -17.835 1.00 0.00 C ATOM 1578 CG2 VAL A 101 0.392 -19.054 -18.971 1.00 0.00 C ATOM 0 H VAL A 101 1.235 -17.124 -15.478 1.00 0.00 H new ATOM 0 HA VAL A 101 0.349 -19.842 -16.207 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.996 -18.381 -17.500 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.134 -16.404 -18.681 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.129 -16.292 -16.925 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.483 -16.708 -18.003 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.152 -18.607 -19.803 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.463 -19.002 -19.168 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.094 -20.097 -18.860 1.00 0.00 H new ATOM 1588 N GLY A 102 2.558 -20.473 -17.182 1.00 0.00 N ATOM 1589 CA GLY A 102 3.895 -20.861 -17.593 1.00 0.00 C ATOM 1590 C GLY A 102 4.257 -22.261 -17.138 1.00 0.00 C ATOM 1591 O GLY A 102 3.685 -22.778 -16.180 1.00 0.00 O ATOM 0 H GLY A 102 1.890 -21.241 -17.116 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.969 -20.805 -18.679 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.617 -20.152 -17.187 1.00 0.00 H new ATOM 1595 N GLY A 103 5.210 -22.878 -17.830 1.00 0.00 N ATOM 1596 CA GLY A 103 5.631 -24.222 -17.479 1.00 0.00 C ATOM 1597 C GLY A 103 6.464 -24.872 -18.565 1.00 0.00 C ATOM 1598 O GLY A 103 6.125 -24.796 -19.747 1.00 0.00 O ATOM 0 H GLY A 103 5.698 -22.471 -18.628 1.00 0.00 H new ATOM 0 HA2 GLY A 103 6.207 -24.189 -16.554 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.751 -24.835 -17.284 1.00 0.00 H new ATOM 1602 N SER A 104 7.559 -25.511 -18.166 1.00 0.00 N ATOM 1603 CA SER A 104 8.446 -26.172 -19.116 1.00 0.00 C ATOM 1604 C SER A 104 7.653 -27.039 -20.088 1.00 0.00 C ATOM 1605 O SER A 104 6.479 -27.332 -19.862 1.00 0.00 O ATOM 1606 CB SER A 104 9.474 -27.029 -18.374 1.00 0.00 C ATOM 1607 OG SER A 104 10.426 -27.575 -19.271 1.00 0.00 O ATOM 0 H SER A 104 7.853 -25.585 -17.192 1.00 0.00 H new ATOM 0 HA SER A 104 8.967 -25.402 -19.685 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.982 -26.424 -17.623 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.966 -27.834 -17.844 1.00 0.00 H new ATOM 0 HG SER A 104 11.072 -28.117 -18.772 1.00 0.00 H new ATOM 1613 N GLY A 105 8.303 -27.447 -21.175 1.00 0.00 N ATOM 1614 CA GLY A 105 7.643 -28.275 -22.167 1.00 0.00 C ATOM 1615 C GLY A 105 8.388 -29.568 -22.430 1.00 0.00 C ATOM 1616 O GLY A 105 9.197 -30.019 -21.619 1.00 0.00 O ATOM 0 H GLY A 105 9.275 -27.218 -21.385 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.632 -28.504 -21.830 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.550 -27.717 -23.099 1.00 0.00 H new ATOM 1620 N PRO A 106 8.115 -30.189 -23.587 1.00 0.00 N ATOM 1621 CA PRO A 106 8.754 -31.448 -23.981 1.00 0.00 C ATOM 1622 C PRO A 106 10.232 -31.270 -24.312 1.00 0.00 C ATOM 1623 O PRO A 106 10.581 -30.713 -25.353 1.00 0.00 O ATOM 1624 CB PRO A 106 7.973 -31.868 -25.228 1.00 0.00 C ATOM 1625 CG PRO A 106 7.436 -30.595 -25.785 1.00 0.00 C ATOM 1626 CD PRO A 106 7.161 -29.709 -24.601 1.00 0.00 C ATOM 0 HA PRO A 106 8.730 -32.185 -23.179 1.00 0.00 H new ATOM 0 HB2 PRO A 106 8.617 -32.374 -25.947 1.00 0.00 H new ATOM 0 HB3 PRO A 106 7.170 -32.561 -24.977 1.00 0.00 H new ATOM 0 HG2 PRO A 106 8.154 -30.131 -26.461 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.527 -30.773 -26.359 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.323 -28.658 -24.839 1.00 0.00 H new ATOM 0 HD3 PRO A 106 6.130 -29.803 -24.259 1.00 0.00 H new ATOM 1634 N SER A 107 11.095 -31.746 -23.420 1.00 0.00 N ATOM 1635 CA SER A 107 12.536 -31.636 -23.617 1.00 0.00 C ATOM 1636 C SER A 107 13.185 -33.016 -23.667 1.00 0.00 C ATOM 1637 O SER A 107 13.079 -33.797 -22.722 1.00 0.00 O ATOM 1638 CB SER A 107 13.163 -30.805 -22.496 1.00 0.00 C ATOM 1639 OG SER A 107 13.041 -31.460 -21.246 1.00 0.00 O ATOM 0 H SER A 107 10.822 -32.211 -22.554 1.00 0.00 H new ATOM 0 HA SER A 107 12.710 -31.137 -24.570 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.216 -30.628 -22.716 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.679 -29.830 -22.448 1.00 0.00 H new ATOM 0 HG SER A 107 13.001 -32.429 -21.387 1.00 0.00 H new ATOM 1645 N SER A 108 13.857 -33.307 -24.776 1.00 0.00 N ATOM 1646 CA SER A 108 14.520 -34.594 -24.952 1.00 0.00 C ATOM 1647 C SER A 108 15.821 -34.647 -24.157 1.00 0.00 C ATOM 1648 O SER A 108 15.983 -35.479 -23.266 1.00 0.00 O ATOM 1649 CB SER A 108 14.804 -34.846 -26.434 1.00 0.00 C ATOM 1650 OG SER A 108 13.618 -35.191 -27.129 1.00 0.00 O ATOM 0 H SER A 108 13.957 -32.669 -25.566 1.00 0.00 H new ATOM 0 HA SER A 108 13.854 -35.373 -24.579 1.00 0.00 H new ATOM 0 HB2 SER A 108 15.244 -33.954 -26.880 1.00 0.00 H new ATOM 0 HB3 SER A 108 15.535 -35.648 -26.536 1.00 0.00 H new ATOM 0 HG SER A 108 13.826 -35.345 -28.074 1.00 0.00 H new ATOM 1656 N GLY A 109 16.747 -33.752 -24.487 1.00 0.00 N ATOM 1657 CA GLY A 109 18.021 -33.714 -23.796 1.00 0.00 C ATOM 1658 C GLY A 109 19.196 -33.904 -24.735 1.00 0.00 C ATOM 1659 O GLY A 109 19.664 -35.026 -24.935 1.00 0.00 O ATOM 0 H GLY A 109 16.637 -33.052 -25.221 1.00 0.00 H new ATOM 0 HA2 GLY A 109 18.123 -32.759 -23.280 1.00 0.00 H new ATOM 0 HA3 GLY A 109 18.040 -34.492 -23.033 1.00 0.00 H new TER 1663 GLY A 109