USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 ASN : amide:sc= -0.0583 X(o=0.41,f=0.43) USER MOD Set 1.2: A 48 MET CE :methyl -158:sc= -0.121 (180deg=-0.347) USER MOD Set 1.3: A 58 ASN : amide:sc= 0.592 K(o=0.41,f=-6.6!) USER MOD Single : A 1 GLY N :NH3+ 179:sc= 1.11 (180deg=1.11) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 175:sc= -0.0102 (180deg=-0.0408) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -160:sc= 0.0148 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0425 K(o=-0.043,f=-0.67) USER MOD Single : A 30 MET CE :methyl 159:sc= 0 (180deg=-0.86) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 37 MET CE :methyl -163:sc= -0.317 (180deg=-1.3) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -130:sc= 0.652 (180deg=-0.123) USER MOD Single : A 45 LYS NZ :NH3+ 135:sc= 0.359 (180deg=-0.00938) USER MOD Single : A 46 LYS NZ :NH3+ 150:sc= 1.26 (180deg=0.725) USER MOD Single : A 51 LYS NZ :NH3+ 151:sc= 0.468 (180deg=0.23) USER MOD Single : A 53 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.082) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 100:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -136:sc= 1.22 (180deg=0.0815) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 1.1 K(o=1.1,f=-0.29) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 178:sc=-0.000889 (180deg=-0.00822) USER MOD Single : A 78 GLN : amide:sc= -0.395 K(o=-0.39,f=-1.5) USER MOD Single : A 81 SER OG : rot 180:sc= 0.00311 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0861 X(o=-0.086,f=-0.086) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0485 X(o=-0.048,f=-0.048) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0057 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 100 GLN : amide:sc= -0.183 K(o=-0.18,f=-3.1!) USER MOD Single : A 103 LYS NZ :NH3+ 165:sc= 0.00123 (180deg=-0.084) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.294 23.228 -22.349 1.00 0.00 N ATOM 2 CA GLY A 1 18.761 22.029 -21.668 1.00 0.00 C ATOM 3 C GLY A 1 17.252 22.128 -21.490 1.00 0.00 C ATOM 4 O GLY A 1 16.568 22.751 -22.306 1.00 0.00 O ATOM 0 H1 GLY A 1 20.326 23.144 -22.443 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.866 23.310 -23.293 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.065 24.075 -21.790 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.005 21.139 -22.248 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.239 21.916 -20.695 1.00 0.00 H new ATOM 10 N SER A 2 16.719 21.508 -20.432 1.00 0.00 N ATOM 11 CA SER A 2 15.352 21.738 -19.936 1.00 0.00 C ATOM 12 C SER A 2 15.247 21.470 -18.426 1.00 0.00 C ATOM 13 O SER A 2 16.015 20.676 -17.871 1.00 0.00 O ATOM 14 CB SER A 2 14.360 20.845 -20.695 1.00 0.00 C ATOM 15 OG SER A 2 13.031 21.292 -20.486 1.00 0.00 O ATOM 0 H SER A 2 17.233 20.818 -19.884 1.00 0.00 H new ATOM 0 HA SER A 2 15.106 22.786 -20.110 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.591 20.858 -21.760 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.460 19.813 -20.359 1.00 0.00 H new ATOM 0 HG SER A 2 12.410 20.714 -20.977 1.00 0.00 H new ATOM 21 N ALA A 3 14.276 22.100 -17.759 1.00 0.00 N ATOM 22 CA ALA A 3 13.899 21.822 -16.370 1.00 0.00 C ATOM 23 C ALA A 3 12.929 20.621 -16.256 1.00 0.00 C ATOM 24 O ALA A 3 12.374 20.142 -17.252 1.00 0.00 O ATOM 25 CB ALA A 3 13.296 23.104 -15.773 1.00 0.00 C ATOM 0 H ALA A 3 13.714 22.839 -18.182 1.00 0.00 H new ATOM 0 HA ALA A 3 14.785 21.534 -15.805 1.00 0.00 H new ATOM 0 HB1 ALA A 3 13.007 22.922 -14.738 1.00 0.00 H new ATOM 0 HB2 ALA A 3 14.035 23.904 -15.808 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.418 23.395 -16.349 1.00 0.00 H new ATOM 31 N MET A 4 12.698 20.145 -15.030 1.00 0.00 N ATOM 32 CA MET A 4 11.731 19.091 -14.679 1.00 0.00 C ATOM 33 C MET A 4 11.072 19.350 -13.308 1.00 0.00 C ATOM 34 O MET A 4 11.398 20.330 -12.635 1.00 0.00 O ATOM 35 CB MET A 4 12.409 17.707 -14.749 1.00 0.00 C ATOM 36 CG MET A 4 13.615 17.559 -13.810 1.00 0.00 C ATOM 37 SD MET A 4 14.239 15.864 -13.586 1.00 0.00 S ATOM 38 CE MET A 4 14.417 15.291 -15.301 1.00 0.00 C ATOM 0 H MET A 4 13.200 20.497 -14.215 1.00 0.00 H new ATOM 0 HA MET A 4 10.923 19.107 -15.410 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.674 16.940 -14.505 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.733 17.523 -15.773 1.00 0.00 H new ATOM 0 HG2 MET A 4 14.427 18.178 -14.192 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.342 17.958 -12.833 1.00 0.00 H new ATOM 0 HE1 MET A 4 14.874 14.302 -15.308 1.00 0.00 H new ATOM 0 HE2 MET A 4 13.435 15.241 -15.772 1.00 0.00 H new ATOM 0 HE3 MET A 4 15.049 15.987 -15.853 1.00 0.00 H new ATOM 48 N ALA A 5 10.151 18.473 -12.895 1.00 0.00 N ATOM 49 CA ALA A 5 9.462 18.517 -11.603 1.00 0.00 C ATOM 50 C ALA A 5 10.447 18.500 -10.411 1.00 0.00 C ATOM 51 O ALA A 5 11.098 17.485 -10.149 1.00 0.00 O ATOM 52 CB ALA A 5 8.462 17.353 -11.542 1.00 0.00 C ATOM 0 H ALA A 5 9.855 17.686 -13.472 1.00 0.00 H new ATOM 0 HA ALA A 5 8.923 19.461 -11.519 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.940 17.371 -10.585 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.739 17.452 -12.352 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.996 16.409 -11.646 1.00 0.00 H new ATOM 58 N ASP A 6 10.562 19.619 -9.692 1.00 0.00 N ATOM 59 CA ASP A 6 11.471 19.819 -8.555 1.00 0.00 C ATOM 60 C ASP A 6 10.758 20.533 -7.392 1.00 0.00 C ATOM 61 O ASP A 6 10.489 21.733 -7.452 1.00 0.00 O ATOM 62 CB ASP A 6 12.729 20.597 -8.987 1.00 0.00 C ATOM 63 CG ASP A 6 13.762 19.735 -9.734 1.00 0.00 C ATOM 64 OD1 ASP A 6 14.230 18.721 -9.161 1.00 0.00 O ATOM 65 OD2 ASP A 6 14.174 20.107 -10.859 1.00 0.00 O ATOM 0 H ASP A 6 10.001 20.447 -9.893 1.00 0.00 H new ATOM 0 HA ASP A 6 11.784 18.836 -8.202 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.430 21.427 -9.627 1.00 0.00 H new ATOM 0 HB3 ASP A 6 13.200 21.029 -8.104 1.00 0.00 H new ATOM 70 N ILE A 7 10.462 19.790 -6.318 1.00 0.00 N ATOM 71 CA ILE A 7 9.774 20.284 -5.103 1.00 0.00 C ATOM 72 C ILE A 7 10.691 20.407 -3.867 1.00 0.00 C ATOM 73 O ILE A 7 10.244 20.842 -2.803 1.00 0.00 O ATOM 74 CB ILE A 7 8.527 19.421 -4.792 1.00 0.00 C ATOM 75 CG1 ILE A 7 8.905 17.955 -4.476 1.00 0.00 C ATOM 76 CG2 ILE A 7 7.513 19.519 -5.947 1.00 0.00 C ATOM 77 CD1 ILE A 7 7.736 17.119 -3.940 1.00 0.00 C ATOM 0 H ILE A 7 10.698 18.799 -6.262 1.00 0.00 H new ATOM 0 HA ILE A 7 9.457 21.302 -5.330 1.00 0.00 H new ATOM 0 HB ILE A 7 8.055 19.815 -3.892 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.291 17.485 -5.381 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.712 17.947 -3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.640 18.908 -5.718 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.206 20.557 -6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.974 19.161 -6.867 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.076 16.103 -3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.363 17.564 -3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.936 17.095 -4.680 1.00 0.00 H new ATOM 89 N GLY A 8 11.963 20.017 -3.985 1.00 0.00 N ATOM 90 CA GLY A 8 12.947 19.981 -2.897 1.00 0.00 C ATOM 91 C GLY A 8 12.895 18.669 -2.105 1.00 0.00 C ATOM 92 O GLY A 8 13.533 17.688 -2.497 1.00 0.00 O ATOM 0 H GLY A 8 12.352 19.705 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.947 20.113 -3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.768 20.817 -2.221 1.00 0.00 H new ATOM 96 N SER A 9 12.131 18.643 -1.008 1.00 0.00 N ATOM 97 CA SER A 9 12.067 17.524 -0.046 1.00 0.00 C ATOM 98 C SER A 9 10.645 17.288 0.479 1.00 0.00 C ATOM 99 O SER A 9 10.053 18.164 1.115 1.00 0.00 O ATOM 100 CB SER A 9 12.998 17.779 1.151 1.00 0.00 C ATOM 101 OG SER A 9 14.357 17.898 0.752 1.00 0.00 O ATOM 0 H SER A 9 11.521 19.419 -0.752 1.00 0.00 H new ATOM 0 HA SER A 9 12.388 16.635 -0.588 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.689 18.690 1.663 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.900 16.963 1.867 1.00 0.00 H new ATOM 0 HG SER A 9 14.916 18.061 1.540 1.00 0.00 H new ATOM 107 N GLU A 10 10.101 16.095 0.232 1.00 0.00 N ATOM 108 CA GLU A 10 8.774 15.659 0.707 1.00 0.00 C ATOM 109 C GLU A 10 8.807 14.882 2.042 1.00 0.00 C ATOM 110 O GLU A 10 7.788 14.771 2.725 1.00 0.00 O ATOM 111 CB GLU A 10 8.090 14.850 -0.409 1.00 0.00 C ATOM 112 CG GLU A 10 8.754 13.491 -0.704 1.00 0.00 C ATOM 113 CD GLU A 10 8.105 12.736 -1.888 1.00 0.00 C ATOM 114 OE1 GLU A 10 7.479 13.361 -2.778 1.00 0.00 O ATOM 115 OE2 GLU A 10 8.243 11.491 -1.947 1.00 0.00 O ATOM 0 H GLU A 10 10.579 15.382 -0.318 1.00 0.00 H new ATOM 0 HA GLU A 10 8.193 16.554 0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.049 14.681 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.085 15.445 -1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.811 13.650 -0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.701 12.867 0.188 1.00 0.00 H new ATOM 122 N PHE A 11 9.974 14.358 2.435 1.00 0.00 N ATOM 123 CA PHE A 11 10.178 13.594 3.673 1.00 0.00 C ATOM 124 C PHE A 11 10.156 14.489 4.934 1.00 0.00 C ATOM 125 O PHE A 11 10.176 15.719 4.847 1.00 0.00 O ATOM 126 CB PHE A 11 11.496 12.805 3.564 1.00 0.00 C ATOM 127 CG PHE A 11 11.724 12.041 2.265 1.00 0.00 C ATOM 128 CD1 PHE A 11 10.684 11.304 1.665 1.00 0.00 C ATOM 129 CD2 PHE A 11 12.995 12.059 1.657 1.00 0.00 C ATOM 130 CE1 PHE A 11 10.907 10.607 0.463 1.00 0.00 C ATOM 131 CE2 PHE A 11 13.221 11.357 0.458 1.00 0.00 C ATOM 132 CZ PHE A 11 12.176 10.632 -0.142 1.00 0.00 C ATOM 0 H PHE A 11 10.827 14.456 1.885 1.00 0.00 H new ATOM 0 HA PHE A 11 9.346 12.900 3.789 1.00 0.00 H new ATOM 0 HB2 PHE A 11 12.323 13.502 3.700 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.538 12.095 4.390 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.710 11.274 2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.801 12.615 2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 11 10.102 10.052 0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 11 14.198 11.375 -0.002 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.348 10.096 -1.064 1.00 0.00 H new ATOM 142 N GLU A 12 10.126 13.870 6.123 1.00 0.00 N ATOM 143 CA GLU A 12 10.009 14.519 7.448 1.00 0.00 C ATOM 144 C GLU A 12 8.780 15.456 7.607 1.00 0.00 C ATOM 145 O GLU A 12 8.751 16.323 8.488 1.00 0.00 O ATOM 146 CB GLU A 12 11.343 15.183 7.865 1.00 0.00 C ATOM 147 CG GLU A 12 12.479 14.198 8.187 1.00 0.00 C ATOM 148 CD GLU A 12 13.117 13.548 6.943 1.00 0.00 C ATOM 149 OE1 GLU A 12 13.797 14.257 6.162 1.00 0.00 O ATOM 150 OE2 GLU A 12 12.981 12.312 6.768 1.00 0.00 O ATOM 0 H GLU A 12 10.185 12.854 6.196 1.00 0.00 H new ATOM 0 HA GLU A 12 9.806 13.716 8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.670 15.844 7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.164 15.808 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 12 13.253 14.723 8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.092 13.413 8.836 1.00 0.00 H new ATOM 157 N LYS A 13 7.741 15.272 6.780 1.00 0.00 N ATOM 158 CA LYS A 13 6.446 15.978 6.822 1.00 0.00 C ATOM 159 C LYS A 13 5.258 15.004 6.874 1.00 0.00 C ATOM 160 O LYS A 13 5.402 13.803 6.634 1.00 0.00 O ATOM 161 CB LYS A 13 6.324 16.931 5.614 1.00 0.00 C ATOM 162 CG LYS A 13 7.250 18.152 5.721 1.00 0.00 C ATOM 163 CD LYS A 13 6.976 19.138 4.574 1.00 0.00 C ATOM 164 CE LYS A 13 7.769 20.444 4.715 1.00 0.00 C ATOM 165 NZ LYS A 13 9.224 20.250 4.485 1.00 0.00 N ATOM 0 H LYS A 13 7.780 14.591 6.022 1.00 0.00 H new ATOM 0 HA LYS A 13 6.416 16.563 7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.557 16.384 4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.292 17.270 5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.098 18.648 6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.291 17.830 5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.229 18.665 3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.911 19.366 4.543 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.386 21.177 4.005 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.613 20.855 5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.717 21.160 4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.598 19.571 5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.378 19.883 3.524 1.00 0.00 H new ATOM 179 N THR A 14 4.077 15.546 7.159 1.00 0.00 N ATOM 180 CA THR A 14 2.775 14.859 7.259 1.00 0.00 C ATOM 181 C THR A 14 1.688 15.610 6.469 1.00 0.00 C ATOM 182 O THR A 14 1.866 16.795 6.158 1.00 0.00 O ATOM 183 CB THR A 14 2.341 14.732 8.736 1.00 0.00 C ATOM 184 OG1 THR A 14 2.573 15.933 9.449 1.00 0.00 O ATOM 185 CG2 THR A 14 3.089 13.608 9.450 1.00 0.00 C ATOM 0 H THR A 14 3.989 16.546 7.340 1.00 0.00 H new ATOM 0 HA THR A 14 2.895 13.864 6.830 1.00 0.00 H new ATOM 0 HB THR A 14 1.274 14.510 8.719 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.287 15.822 10.380 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.756 13.550 10.486 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.886 12.661 8.950 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.160 13.809 9.424 1.00 0.00 H new ATOM 193 N PRO A 15 0.545 14.965 6.145 1.00 0.00 N ATOM 194 CA PRO A 15 -0.609 15.650 5.556 1.00 0.00 C ATOM 195 C PRO A 15 -1.243 16.668 6.523 1.00 0.00 C ATOM 196 O PRO A 15 -0.961 16.672 7.726 1.00 0.00 O ATOM 197 CB PRO A 15 -1.593 14.537 5.166 1.00 0.00 C ATOM 198 CG PRO A 15 -1.230 13.372 6.083 1.00 0.00 C ATOM 199 CD PRO A 15 0.275 13.538 6.283 1.00 0.00 C ATOM 0 HA PRO A 15 -0.314 16.243 4.690 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.627 14.851 5.312 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.488 14.264 4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.769 13.421 7.029 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.472 12.411 5.628 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.580 13.177 7.265 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.832 12.962 5.544 1.00 0.00 H new ATOM 207 N SER A 16 -2.148 17.498 5.995 1.00 0.00 N ATOM 208 CA SER A 16 -2.959 18.491 6.724 1.00 0.00 C ATOM 209 C SER A 16 -3.785 17.885 7.875 1.00 0.00 C ATOM 210 O SER A 16 -3.881 16.662 8.019 1.00 0.00 O ATOM 211 CB SER A 16 -3.904 19.190 5.731 1.00 0.00 C ATOM 212 OG SER A 16 -3.188 19.714 4.618 1.00 0.00 O ATOM 0 H SER A 16 -2.349 17.499 4.995 1.00 0.00 H new ATOM 0 HA SER A 16 -2.265 19.199 7.178 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.656 18.483 5.382 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.435 19.996 6.237 1.00 0.00 H new ATOM 0 HG SER A 16 -3.814 20.151 4.003 1.00 0.00 H new ATOM 218 N LEU A 17 -4.413 18.737 8.697 1.00 0.00 N ATOM 219 CA LEU A 17 -5.327 18.316 9.766 1.00 0.00 C ATOM 220 C LEU A 17 -6.514 17.498 9.222 1.00 0.00 C ATOM 221 O LEU A 17 -7.432 18.016 8.576 1.00 0.00 O ATOM 222 CB LEU A 17 -5.799 19.522 10.605 1.00 0.00 C ATOM 223 CG LEU A 17 -4.793 19.994 11.675 1.00 0.00 C ATOM 224 CD1 LEU A 17 -5.327 21.253 12.358 1.00 0.00 C ATOM 225 CD2 LEU A 17 -4.558 18.947 12.771 1.00 0.00 C ATOM 0 H LEU A 17 -4.299 19.749 8.637 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.768 17.654 10.428 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.012 20.354 9.933 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.736 19.261 11.097 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.852 20.177 11.156 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.616 21.586 13.114 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.463 22.040 11.616 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.283 21.032 12.832 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.842 19.334 13.496 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.500 18.728 13.273 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.165 18.034 12.324 1.00 0.00 H new ATOM 237 N THR A 18 -6.467 16.193 9.483 1.00 0.00 N ATOM 238 CA THR A 18 -7.513 15.202 9.200 1.00 0.00 C ATOM 239 C THR A 18 -8.774 15.471 10.044 1.00 0.00 C ATOM 240 O THR A 18 -8.758 16.279 10.980 1.00 0.00 O ATOM 241 CB THR A 18 -6.954 13.784 9.460 1.00 0.00 C ATOM 242 OG1 THR A 18 -5.606 13.697 9.044 1.00 0.00 O ATOM 243 CG2 THR A 18 -7.688 12.673 8.706 1.00 0.00 C ATOM 0 H THR A 18 -5.650 15.770 9.924 1.00 0.00 H new ATOM 0 HA THR A 18 -7.807 15.280 8.153 1.00 0.00 H new ATOM 0 HB THR A 18 -7.080 13.639 10.533 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.364 12.756 8.914 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.234 11.711 8.943 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.737 12.663 9.003 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.617 12.853 7.633 1.00 0.00 H new ATOM 251 N ARG A 19 -9.887 14.796 9.725 1.00 0.00 N ATOM 252 CA ARG A 19 -11.162 14.874 10.462 1.00 0.00 C ATOM 253 C ARG A 19 -11.022 14.345 11.905 1.00 0.00 C ATOM 254 O ARG A 19 -10.007 13.729 12.255 1.00 0.00 O ATOM 255 CB ARG A 19 -12.255 14.111 9.679 1.00 0.00 C ATOM 256 CG ARG A 19 -12.786 14.806 8.406 1.00 0.00 C ATOM 257 CD ARG A 19 -11.882 14.762 7.157 1.00 0.00 C ATOM 258 NE ARG A 19 -10.918 15.886 7.082 1.00 0.00 N ATOM 259 CZ ARG A 19 -11.146 17.137 6.726 1.00 0.00 C ATOM 260 NH1 ARG A 19 -12.322 17.544 6.337 1.00 0.00 N ATOM 261 NH2 ARG A 19 -10.184 18.017 6.752 1.00 0.00 N ATOM 0 H ARG A 19 -9.929 14.163 8.926 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.454 15.921 10.546 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -11.858 13.135 9.398 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.096 13.932 10.349 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -13.744 14.354 8.147 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -12.981 15.851 8.647 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.332 13.821 7.150 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.508 14.771 6.265 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.956 15.665 7.338 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.102 16.888 6.301 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.462 18.518 6.069 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.248 17.741 7.049 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.368 18.982 6.476 1.00 0.00 H new ATOM 275 N ARG A 20 -12.059 14.557 12.729 1.00 0.00 N ATOM 276 CA ARG A 20 -12.216 14.094 14.129 1.00 0.00 C ATOM 277 C ARG A 20 -12.039 12.565 14.283 1.00 0.00 C ATOM 278 O ARG A 20 -11.918 11.848 13.287 1.00 0.00 O ATOM 279 CB ARG A 20 -13.587 14.609 14.631 1.00 0.00 C ATOM 280 CG ARG A 20 -13.747 14.657 16.162 1.00 0.00 C ATOM 281 CD ARG A 20 -15.048 15.371 16.557 1.00 0.00 C ATOM 282 NE ARG A 20 -15.255 15.360 18.022 1.00 0.00 N ATOM 283 CZ ARG A 20 -14.718 16.160 18.926 1.00 0.00 C ATOM 284 NH1 ARG A 20 -13.876 17.104 18.614 1.00 0.00 N ATOM 285 NH2 ARG A 20 -15.020 16.023 20.187 1.00 0.00 N ATOM 0 H ARG A 20 -12.870 15.093 12.420 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.421 14.505 14.751 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.749 15.611 14.233 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.370 13.972 14.219 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.748 13.643 16.563 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.895 15.174 16.604 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.020 16.401 16.201 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.892 14.887 16.066 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.891 14.646 18.378 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.608 17.247 17.640 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.485 17.700 19.343 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.673 15.296 20.479 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.603 16.643 20.882 1.00 0.00 H new ATOM 299 N ILE A 21 -12.003 12.067 15.524 1.00 0.00 N ATOM 300 CA ILE A 21 -11.778 10.655 15.894 1.00 0.00 C ATOM 301 C ILE A 21 -12.553 9.666 14.996 1.00 0.00 C ATOM 302 O ILE A 21 -13.786 9.649 14.963 1.00 0.00 O ATOM 303 CB ILE A 21 -12.009 10.435 17.413 1.00 0.00 C ATOM 304 CG1 ILE A 21 -11.396 9.084 17.841 1.00 0.00 C ATOM 305 CG2 ILE A 21 -13.482 10.560 17.845 1.00 0.00 C ATOM 306 CD1 ILE A 21 -11.525 8.749 19.332 1.00 0.00 C ATOM 0 H ILE A 21 -12.136 12.662 16.341 1.00 0.00 H new ATOM 0 HA ILE A 21 -10.729 10.428 15.702 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.499 11.244 17.936 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -11.870 8.290 17.265 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.339 9.083 17.575 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -13.562 10.393 18.919 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -13.848 11.558 17.605 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -14.080 9.817 17.317 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.064 7.781 19.529 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.024 9.516 19.922 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.579 8.711 19.606 1.00 0.00 H new ATOM 318 N ASP A 22 -11.818 8.880 14.209 1.00 0.00 N ATOM 319 CA ASP A 22 -12.375 7.880 13.292 1.00 0.00 C ATOM 320 C ASP A 22 -12.976 6.701 14.071 1.00 0.00 C ATOM 321 O ASP A 22 -12.347 6.180 14.992 1.00 0.00 O ATOM 322 CB ASP A 22 -11.276 7.389 12.328 1.00 0.00 C ATOM 323 CG ASP A 22 -11.676 7.625 10.862 1.00 0.00 C ATOM 324 OD1 ASP A 22 -11.664 8.796 10.418 1.00 0.00 O ATOM 325 OD2 ASP A 22 -12.013 6.646 10.159 1.00 0.00 O ATOM 0 H ASP A 22 -10.799 8.920 14.189 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.175 8.341 12.713 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.342 7.910 12.541 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.093 6.327 12.491 1.00 0.00 H new ATOM 330 N ASP A 23 -14.167 6.235 13.692 1.00 0.00 N ATOM 331 CA ASP A 23 -14.843 5.117 14.376 1.00 0.00 C ATOM 332 C ASP A 23 -14.041 3.796 14.323 1.00 0.00 C ATOM 333 O ASP A 23 -14.181 2.931 15.192 1.00 0.00 O ATOM 334 CB ASP A 23 -16.248 4.956 13.774 1.00 0.00 C ATOM 335 CG ASP A 23 -17.163 4.059 14.629 1.00 0.00 C ATOM 336 OD1 ASP A 23 -17.339 4.345 15.838 1.00 0.00 O ATOM 337 OD2 ASP A 23 -17.762 3.102 14.084 1.00 0.00 O ATOM 0 H ASP A 23 -14.694 6.616 12.906 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.918 5.357 15.437 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.707 5.939 13.667 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.163 4.532 12.773 1.00 0.00 H new ATOM 342 N THR A 24 -13.118 3.678 13.360 1.00 0.00 N ATOM 343 CA THR A 24 -12.129 2.593 13.243 1.00 0.00 C ATOM 344 C THR A 24 -11.207 2.477 14.468 1.00 0.00 C ATOM 345 O THR A 24 -10.790 1.371 14.815 1.00 0.00 O ATOM 346 CB THR A 24 -11.288 2.775 11.966 1.00 0.00 C ATOM 347 OG1 THR A 24 -12.132 2.970 10.849 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.404 1.571 11.636 1.00 0.00 C ATOM 0 H THR A 24 -13.035 4.363 12.609 1.00 0.00 H new ATOM 0 HA THR A 24 -12.695 1.663 13.187 1.00 0.00 H new ATOM 0 HB THR A 24 -10.652 3.638 12.165 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.587 3.086 10.043 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.841 1.772 10.724 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.711 1.392 12.458 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.029 0.690 11.490 1.00 0.00 H new ATOM 356 N ILE A 25 -10.926 3.585 15.166 1.00 0.00 N ATOM 357 CA ILE A 25 -10.137 3.614 16.413 1.00 0.00 C ATOM 358 C ILE A 25 -10.822 2.777 17.505 1.00 0.00 C ATOM 359 O ILE A 25 -10.177 1.951 18.152 1.00 0.00 O ATOM 360 CB ILE A 25 -9.892 5.079 16.861 1.00 0.00 C ATOM 361 CG1 ILE A 25 -8.975 5.799 15.838 1.00 0.00 C ATOM 362 CG2 ILE A 25 -9.281 5.146 18.273 1.00 0.00 C ATOM 363 CD1 ILE A 25 -8.919 7.321 15.979 1.00 0.00 C ATOM 0 H ILE A 25 -11.246 4.509 14.876 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.162 3.163 16.230 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.856 5.586 16.897 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.964 5.403 15.937 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.316 5.555 14.832 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.124 6.188 18.552 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.960 4.678 18.986 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.326 4.620 18.282 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.253 7.732 15.221 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.918 7.736 15.848 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.546 7.581 16.969 1.00 0.00 H new ATOM 375 N PHE A 26 -12.132 2.966 17.700 1.00 0.00 N ATOM 376 CA PHE A 26 -12.921 2.219 18.684 1.00 0.00 C ATOM 377 C PHE A 26 -13.146 0.753 18.272 1.00 0.00 C ATOM 378 O PHE A 26 -13.021 -0.144 19.110 1.00 0.00 O ATOM 379 CB PHE A 26 -14.251 2.953 18.926 1.00 0.00 C ATOM 380 CG PHE A 26 -15.177 2.328 19.962 1.00 0.00 C ATOM 381 CD1 PHE A 26 -14.678 1.870 21.200 1.00 0.00 C ATOM 382 CD2 PHE A 26 -16.557 2.231 19.699 1.00 0.00 C ATOM 383 CE1 PHE A 26 -15.545 1.300 22.149 1.00 0.00 C ATOM 384 CE2 PHE A 26 -17.427 1.671 20.653 1.00 0.00 C ATOM 385 CZ PHE A 26 -16.921 1.201 21.877 1.00 0.00 C ATOM 0 H PHE A 26 -12.678 3.648 17.174 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.357 2.178 19.616 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.029 3.975 19.235 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.787 3.016 17.979 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -13.624 1.958 21.420 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.950 2.589 18.759 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.154 0.938 23.088 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.484 1.602 20.444 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.587 0.765 22.607 1.00 0.00 H new ATOM 395 N GLN A 27 -13.456 0.484 16.995 1.00 0.00 N ATOM 396 CA GLN A 27 -13.791 -0.873 16.529 1.00 0.00 C ATOM 397 C GLN A 27 -12.599 -1.854 16.503 1.00 0.00 C ATOM 398 O GLN A 27 -12.818 -3.068 16.485 1.00 0.00 O ATOM 399 CB GLN A 27 -14.519 -0.809 15.167 1.00 0.00 C ATOM 400 CG GLN A 27 -13.599 -0.902 13.935 1.00 0.00 C ATOM 401 CD GLN A 27 -14.289 -0.570 12.606 1.00 0.00 C ATOM 402 OE1 GLN A 27 -15.415 -0.096 12.527 1.00 0.00 O ATOM 403 NE2 GLN A 27 -13.629 -0.807 11.491 1.00 0.00 N ATOM 0 H GLN A 27 -13.482 1.192 16.261 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.468 -1.292 17.274 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.246 -1.620 15.122 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.079 0.125 15.114 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.757 -0.224 14.073 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.190 -1.911 13.877 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.689 -1.202 11.529 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.058 -0.596 10.590 1.00 0.00 H new ATOM 412 N ASN A 28 -11.351 -1.359 16.481 1.00 0.00 N ATOM 413 CA ASN A 28 -10.147 -2.167 16.259 1.00 0.00 C ATOM 414 C ASN A 28 -9.035 -1.884 17.303 1.00 0.00 C ATOM 415 O ASN A 28 -8.269 -0.929 17.139 1.00 0.00 O ATOM 416 CB ASN A 28 -9.691 -1.976 14.799 1.00 0.00 C ATOM 417 CG ASN A 28 -8.829 -3.144 14.361 1.00 0.00 C ATOM 418 OD1 ASN A 28 -9.309 -4.147 13.856 1.00 0.00 O ATOM 419 ND2 ASN A 28 -7.543 -3.080 14.593 1.00 0.00 N ATOM 0 H ASN A 28 -11.150 -0.369 16.620 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.383 -3.220 16.410 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.561 -1.892 14.147 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.131 -1.046 14.704 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.941 -3.868 14.352 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.142 -2.242 15.015 1.00 0.00 H new ATOM 426 N PRO A 29 -8.898 -2.695 18.373 1.00 0.00 N ATOM 427 CA PRO A 29 -8.073 -2.366 19.547 1.00 0.00 C ATOM 428 C PRO A 29 -6.555 -2.338 19.295 1.00 0.00 C ATOM 429 O PRO A 29 -5.816 -1.744 20.084 1.00 0.00 O ATOM 430 CB PRO A 29 -8.443 -3.410 20.609 1.00 0.00 C ATOM 431 CG PRO A 29 -8.889 -4.614 19.781 1.00 0.00 C ATOM 432 CD PRO A 29 -9.582 -3.964 18.586 1.00 0.00 C ATOM 0 HA PRO A 29 -8.286 -1.343 19.858 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.593 -3.653 21.247 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.240 -3.054 21.262 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.043 -5.229 19.473 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.566 -5.260 20.339 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.514 -4.598 17.702 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.642 -3.808 18.786 1.00 0.00 H new ATOM 440 N MET A 30 -6.079 -2.910 18.181 1.00 0.00 N ATOM 441 CA MET A 30 -4.677 -2.829 17.732 1.00 0.00 C ATOM 442 C MET A 30 -4.201 -1.379 17.539 1.00 0.00 C ATOM 443 O MET A 30 -3.008 -1.098 17.654 1.00 0.00 O ATOM 444 CB MET A 30 -4.501 -3.582 16.404 1.00 0.00 C ATOM 445 CG MET A 30 -4.860 -5.072 16.474 1.00 0.00 C ATOM 446 SD MET A 30 -5.088 -5.884 14.864 1.00 0.00 S ATOM 447 CE MET A 30 -3.536 -5.467 14.025 1.00 0.00 C ATOM 0 H MET A 30 -6.668 -3.454 17.551 1.00 0.00 H new ATOM 0 HA MET A 30 -4.073 -3.285 18.517 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.121 -3.106 15.644 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.465 -3.484 16.078 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.074 -5.594 17.019 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.777 -5.183 17.053 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.361 -6.172 13.213 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.601 -4.457 13.621 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.712 -5.521 14.736 1.00 0.00 H new ATOM 457 N VAL A 31 -5.130 -0.450 17.275 1.00 0.00 N ATOM 458 CA VAL A 31 -4.847 0.983 17.136 1.00 0.00 C ATOM 459 C VAL A 31 -4.192 1.538 18.400 1.00 0.00 C ATOM 460 O VAL A 31 -3.092 2.077 18.322 1.00 0.00 O ATOM 461 CB VAL A 31 -6.118 1.770 16.761 1.00 0.00 C ATOM 462 CG1 VAL A 31 -5.859 3.279 16.744 1.00 0.00 C ATOM 463 CG2 VAL A 31 -6.628 1.365 15.370 1.00 0.00 C ATOM 0 H VAL A 31 -6.116 -0.679 17.150 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.137 1.107 16.318 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.864 1.532 17.520 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.777 3.803 16.476 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.532 3.603 17.732 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.084 3.507 16.012 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.525 1.936 15.131 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.858 1.571 14.626 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.863 0.301 15.364 1.00 0.00 H new ATOM 473 N GLN A 32 -4.813 1.364 19.569 1.00 0.00 N ATOM 474 CA GLN A 32 -4.325 1.927 20.837 1.00 0.00 C ATOM 475 C GLN A 32 -2.884 1.488 21.154 1.00 0.00 C ATOM 476 O GLN A 32 -2.052 2.305 21.545 1.00 0.00 O ATOM 477 CB GLN A 32 -5.273 1.548 21.991 1.00 0.00 C ATOM 478 CG GLN A 32 -6.760 1.881 21.764 1.00 0.00 C ATOM 479 CD GLN A 32 -7.018 3.364 21.489 1.00 0.00 C ATOM 480 OE1 GLN A 32 -6.786 3.874 20.405 1.00 0.00 O ATOM 481 NE2 GLN A 32 -7.517 4.115 22.450 1.00 0.00 N ATOM 0 H GLN A 32 -5.674 0.826 19.666 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.312 3.011 20.727 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.182 0.478 22.176 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.939 2.057 22.895 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.132 1.294 20.924 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.330 1.578 22.642 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.718 3.708 23.363 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.702 5.104 22.281 1.00 0.00 H new ATOM 490 N GLU A 33 -2.569 0.209 20.928 1.00 0.00 N ATOM 491 CA GLU A 33 -1.221 -0.355 21.069 1.00 0.00 C ATOM 492 C GLU A 33 -0.191 0.273 20.109 1.00 0.00 C ATOM 493 O GLU A 33 0.956 0.487 20.505 1.00 0.00 O ATOM 494 CB GLU A 33 -1.306 -1.884 20.903 1.00 0.00 C ATOM 495 CG GLU A 33 0.027 -2.638 20.736 1.00 0.00 C ATOM 496 CD GLU A 33 1.028 -2.500 21.902 1.00 0.00 C ATOM 497 OE1 GLU A 33 0.718 -1.845 22.922 1.00 0.00 O ATOM 498 OE2 GLU A 33 2.129 -3.097 21.818 1.00 0.00 O ATOM 0 H GLU A 33 -3.261 -0.481 20.635 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.853 -0.112 22.066 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.821 -2.292 21.773 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.929 -2.098 20.034 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.192 -3.696 20.593 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.510 -2.286 19.824 1.00 0.00 H new ATOM 505 N ALA A 34 -0.578 0.623 18.876 1.00 0.00 N ATOM 506 CA ALA A 34 0.294 1.348 17.952 1.00 0.00 C ATOM 507 C ALA A 34 0.680 2.734 18.512 1.00 0.00 C ATOM 508 O ALA A 34 1.871 3.009 18.678 1.00 0.00 O ATOM 509 CB ALA A 34 -0.348 1.412 16.560 1.00 0.00 C ATOM 0 H ALA A 34 -1.500 0.412 18.495 1.00 0.00 H new ATOM 0 HA ALA A 34 1.232 0.803 17.845 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.310 1.954 15.880 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.504 0.401 16.184 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.307 1.927 16.625 1.00 0.00 H new ATOM 515 N ILE A 35 -0.287 3.590 18.884 1.00 0.00 N ATOM 516 CA ILE A 35 0.018 4.883 19.536 1.00 0.00 C ATOM 517 C ILE A 35 0.891 4.696 20.791 1.00 0.00 C ATOM 518 O ILE A 35 1.835 5.461 21.002 1.00 0.00 O ATOM 519 CB ILE A 35 -1.258 5.705 19.852 1.00 0.00 C ATOM 520 CG1 ILE A 35 -1.950 6.203 18.560 1.00 0.00 C ATOM 521 CG2 ILE A 35 -0.946 6.939 20.721 1.00 0.00 C ATOM 522 CD1 ILE A 35 -3.214 5.407 18.244 1.00 0.00 C ATOM 0 H ILE A 35 -1.282 3.415 18.747 1.00 0.00 H new ATOM 0 HA ILE A 35 0.594 5.463 18.815 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.919 5.029 20.394 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.203 7.258 18.668 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.255 6.126 17.724 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.867 7.487 20.919 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.505 6.617 21.665 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.245 7.587 20.195 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.667 5.791 17.330 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.958 4.356 18.109 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.921 5.505 19.068 1.00 0.00 H new ATOM 534 N ARG A 36 0.639 3.656 21.598 1.00 0.00 N ATOM 535 CA ARG A 36 1.402 3.339 22.820 1.00 0.00 C ATOM 536 C ARG A 36 2.903 3.085 22.585 1.00 0.00 C ATOM 537 O ARG A 36 3.694 3.326 23.497 1.00 0.00 O ATOM 538 CB ARG A 36 0.710 2.173 23.555 1.00 0.00 C ATOM 539 CG ARG A 36 1.192 2.012 25.006 1.00 0.00 C ATOM 540 CD ARG A 36 0.303 1.058 25.814 1.00 0.00 C ATOM 541 NE ARG A 36 0.417 -0.346 25.368 1.00 0.00 N ATOM 542 CZ ARG A 36 0.261 -1.436 26.094 1.00 0.00 C ATOM 543 NH1 ARG A 36 -0.045 -1.406 27.362 1.00 0.00 N ATOM 544 NH2 ARG A 36 0.414 -2.600 25.531 1.00 0.00 N ATOM 0 H ARG A 36 -0.117 2.995 21.418 1.00 0.00 H new ATOM 0 HA ARG A 36 1.391 4.226 23.454 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.368 2.336 23.551 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.894 1.247 23.011 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.216 1.639 25.007 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.208 2.988 25.491 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.573 1.123 26.868 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.736 1.378 25.730 1.00 0.00 H new ATOM 0 HE ARG A 36 0.643 -0.489 24.384 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.174 -0.511 27.834 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.155 -2.277 27.881 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.651 -2.660 24.541 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.296 -3.452 26.080 1.00 0.00 H new ATOM 558 N MET A 37 3.324 2.677 21.381 1.00 0.00 N ATOM 559 CA MET A 37 4.749 2.565 21.011 1.00 0.00 C ATOM 560 C MET A 37 5.413 3.902 20.614 1.00 0.00 C ATOM 561 O MET A 37 6.635 3.949 20.448 1.00 0.00 O ATOM 562 CB MET A 37 4.950 1.552 19.873 1.00 0.00 C ATOM 563 CG MET A 37 4.465 0.137 20.214 1.00 0.00 C ATOM 564 SD MET A 37 5.438 -1.211 19.476 1.00 0.00 S ATOM 565 CE MET A 37 5.592 -0.633 17.765 1.00 0.00 C ATOM 0 H MET A 37 2.686 2.413 20.630 1.00 0.00 H new ATOM 0 HA MET A 37 5.242 2.221 21.921 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.421 1.904 18.987 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.009 1.512 19.617 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.472 0.018 21.298 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.429 0.037 19.889 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.888 -1.464 17.125 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.634 -0.238 17.427 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.347 0.152 17.713 1.00 0.00 H new ATOM 575 N GLY A 38 4.643 4.987 20.458 1.00 0.00 N ATOM 576 CA GLY A 38 5.120 6.337 20.122 1.00 0.00 C ATOM 577 C GLY A 38 4.629 6.896 18.777 1.00 0.00 C ATOM 578 O GLY A 38 4.956 8.041 18.445 1.00 0.00 O ATOM 0 H GLY A 38 3.630 4.948 20.567 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.812 7.020 20.914 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.210 6.327 20.116 1.00 0.00 H new ATOM 582 N PHE A 39 3.854 6.133 17.997 1.00 0.00 N ATOM 583 CA PHE A 39 3.191 6.618 16.779 1.00 0.00 C ATOM 584 C PHE A 39 2.084 7.658 17.085 1.00 0.00 C ATOM 585 O PHE A 39 1.597 7.761 18.214 1.00 0.00 O ATOM 586 CB PHE A 39 2.594 5.428 16.016 1.00 0.00 C ATOM 587 CG PHE A 39 3.584 4.467 15.377 1.00 0.00 C ATOM 588 CD1 PHE A 39 4.215 4.812 14.167 1.00 0.00 C ATOM 589 CD2 PHE A 39 3.829 3.200 15.940 1.00 0.00 C ATOM 590 CE1 PHE A 39 5.085 3.905 13.537 1.00 0.00 C ATOM 591 CE2 PHE A 39 4.683 2.287 15.303 1.00 0.00 C ATOM 592 CZ PHE A 39 5.309 2.636 14.098 1.00 0.00 C ATOM 0 H PHE A 39 3.667 5.150 18.195 1.00 0.00 H new ATOM 0 HA PHE A 39 3.943 7.119 16.169 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.965 4.863 16.704 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.942 5.817 15.234 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.030 5.778 13.721 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.355 2.928 16.871 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.582 4.184 12.620 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.858 1.315 15.741 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.961 1.932 13.603 1.00 0.00 H new ATOM 602 N SER A 40 1.649 8.405 16.067 1.00 0.00 N ATOM 603 CA SER A 40 0.576 9.412 16.155 1.00 0.00 C ATOM 604 C SER A 40 -0.794 8.825 15.798 1.00 0.00 C ATOM 605 O SER A 40 -0.901 8.072 14.829 1.00 0.00 O ATOM 606 CB SER A 40 0.877 10.570 15.187 1.00 0.00 C ATOM 607 OG SER A 40 2.098 11.208 15.521 1.00 0.00 O ATOM 0 H SER A 40 2.042 8.327 15.129 1.00 0.00 H new ATOM 0 HA SER A 40 0.543 9.763 17.186 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.928 10.191 14.166 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.064 11.295 15.218 1.00 0.00 H new ATOM 0 HG SER A 40 2.268 11.939 14.891 1.00 0.00 H new ATOM 613 N PHE A 41 -1.860 9.226 16.506 1.00 0.00 N ATOM 614 CA PHE A 41 -3.254 8.818 16.236 1.00 0.00 C ATOM 615 C PHE A 41 -3.650 8.989 14.764 1.00 0.00 C ATOM 616 O PHE A 41 -4.209 8.068 14.163 1.00 0.00 O ATOM 617 CB PHE A 41 -4.235 9.582 17.153 1.00 0.00 C ATOM 618 CG PHE A 41 -4.678 8.812 18.383 1.00 0.00 C ATOM 619 CD1 PHE A 41 -5.667 7.816 18.260 1.00 0.00 C ATOM 620 CD2 PHE A 41 -4.122 9.088 19.647 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.090 7.096 19.390 1.00 0.00 C ATOM 622 CE2 PHE A 41 -4.546 8.365 20.778 1.00 0.00 C ATOM 623 CZ PHE A 41 -5.528 7.367 20.650 1.00 0.00 C ATOM 0 H PHE A 41 -1.779 9.858 17.302 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.315 7.752 16.457 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.764 10.512 17.472 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.117 9.854 16.573 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.101 7.605 17.294 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.369 9.856 19.749 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.848 6.333 19.291 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.116 8.577 21.746 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.850 6.810 21.517 1.00 0.00 H new ATOM 633 N LYS A 42 -3.319 10.151 14.180 1.00 0.00 N ATOM 634 CA LYS A 42 -3.579 10.490 12.774 1.00 0.00 C ATOM 635 C LYS A 42 -3.002 9.461 11.802 1.00 0.00 C ATOM 636 O LYS A 42 -3.696 9.040 10.883 1.00 0.00 O ATOM 637 CB LYS A 42 -3.084 11.919 12.480 1.00 0.00 C ATOM 638 CG LYS A 42 -3.509 12.411 11.082 1.00 0.00 C ATOM 639 CD LYS A 42 -2.414 12.311 10.002 1.00 0.00 C ATOM 640 CE LYS A 42 -1.391 13.457 10.048 1.00 0.00 C ATOM 641 NZ LYS A 42 -1.999 14.771 9.691 1.00 0.00 N ATOM 0 H LYS A 42 -2.850 10.901 14.688 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.657 10.461 12.614 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.476 12.599 13.236 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.997 11.948 12.558 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.375 11.834 10.757 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.829 13.450 11.160 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.889 11.363 10.117 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.886 12.297 9.020 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.961 13.518 11.048 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.573 13.239 9.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.416 15.238 8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.958 14.620 9.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.047 15.373 10.538 1.00 0.00 H new ATOM 655 N ASP A 43 -1.761 9.027 12.013 1.00 0.00 N ATOM 656 CA ASP A 43 -1.116 8.024 11.162 1.00 0.00 C ATOM 657 C ASP A 43 -1.807 6.653 11.255 1.00 0.00 C ATOM 658 O ASP A 43 -1.958 5.991 10.230 1.00 0.00 O ATOM 659 CB ASP A 43 0.378 7.894 11.497 1.00 0.00 C ATOM 660 CG ASP A 43 1.235 9.106 11.048 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.829 9.887 10.156 1.00 0.00 O ATOM 662 OD2 ASP A 43 2.348 9.251 11.591 1.00 0.00 O ATOM 0 H ASP A 43 -1.173 9.359 12.777 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.215 8.372 10.134 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.488 7.764 12.574 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.768 6.992 11.025 1.00 0.00 H new ATOM 667 N ILE A 44 -2.263 6.239 12.443 1.00 0.00 N ATOM 668 CA ILE A 44 -2.935 4.937 12.591 1.00 0.00 C ATOM 669 C ILE A 44 -4.302 4.925 11.895 1.00 0.00 C ATOM 670 O ILE A 44 -4.563 4.039 11.083 1.00 0.00 O ATOM 671 CB ILE A 44 -3.082 4.452 14.048 1.00 0.00 C ATOM 672 CG1 ILE A 44 -1.935 4.806 15.013 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.252 2.922 14.000 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.529 4.454 14.539 1.00 0.00 C ATOM 0 H ILE A 44 -2.182 6.776 13.306 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.267 4.229 12.099 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.942 4.981 14.459 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.972 5.877 15.212 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.115 4.299 15.961 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.360 2.536 15.014 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.141 2.673 13.420 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.376 2.473 13.532 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.195 4.749 15.298 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.460 3.379 14.370 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.316 4.982 13.610 1.00 0.00 H new ATOM 686 N LYS A 45 -5.180 5.905 12.171 1.00 0.00 N ATOM 687 CA LYS A 45 -6.494 5.997 11.499 1.00 0.00 C ATOM 688 C LYS A 45 -6.358 6.108 9.976 1.00 0.00 C ATOM 689 O LYS A 45 -7.078 5.417 9.256 1.00 0.00 O ATOM 690 CB LYS A 45 -7.390 7.086 12.128 1.00 0.00 C ATOM 691 CG LYS A 45 -6.847 8.527 12.130 1.00 0.00 C ATOM 692 CD LYS A 45 -7.261 9.401 10.931 1.00 0.00 C ATOM 693 CE LYS A 45 -8.678 9.986 11.039 1.00 0.00 C ATOM 694 NZ LYS A 45 -8.789 11.044 12.082 1.00 0.00 N ATOM 0 H LYS A 45 -5.007 6.644 12.852 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.016 5.056 11.672 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.344 7.085 11.601 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.595 6.801 13.160 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.178 9.018 13.045 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.758 8.485 12.166 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.549 10.220 10.829 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.194 8.805 10.021 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.969 10.402 10.074 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.381 9.184 11.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.324 11.851 11.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.283 10.661 12.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.838 11.359 12.360 1.00 0.00 H new ATOM 708 N LYS A 46 -5.382 6.888 9.494 1.00 0.00 N ATOM 709 CA LYS A 46 -5.020 7.038 8.075 1.00 0.00 C ATOM 710 C LYS A 46 -4.565 5.716 7.449 1.00 0.00 C ATOM 711 O LYS A 46 -5.096 5.331 6.408 1.00 0.00 O ATOM 712 CB LYS A 46 -3.969 8.155 7.966 1.00 0.00 C ATOM 713 CG LYS A 46 -3.386 8.442 6.579 1.00 0.00 C ATOM 714 CD LYS A 46 -4.386 8.827 5.473 1.00 0.00 C ATOM 715 CE LYS A 46 -4.571 7.678 4.470 1.00 0.00 C ATOM 716 NZ LYS A 46 -4.933 8.157 3.111 1.00 0.00 N ATOM 0 H LYS A 46 -4.797 7.457 10.106 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.898 7.323 7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.416 9.076 8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.144 7.907 8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.659 9.249 6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.839 7.558 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.347 9.082 5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.031 9.716 4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.649 7.099 4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.348 7.006 4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.567 7.492 2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.968 8.217 3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.518 9.097 2.952 1.00 0.00 H new ATOM 730 N ILE A 47 -3.610 5.002 8.052 1.00 0.00 N ATOM 731 CA ILE A 47 -3.146 3.728 7.483 1.00 0.00 C ATOM 732 C ILE A 47 -4.214 2.627 7.552 1.00 0.00 C ATOM 733 O ILE A 47 -4.330 1.841 6.615 1.00 0.00 O ATOM 734 CB ILE A 47 -1.787 3.285 8.071 1.00 0.00 C ATOM 735 CG1 ILE A 47 -1.042 2.496 6.975 1.00 0.00 C ATOM 736 CG2 ILE A 47 -1.917 2.483 9.381 1.00 0.00 C ATOM 737 CD1 ILE A 47 0.362 2.038 7.365 1.00 0.00 C ATOM 0 H ILE A 47 -3.148 5.276 8.919 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.974 3.907 6.422 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.217 4.169 8.357 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.635 1.621 6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.972 3.117 6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.925 2.205 9.737 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.415 3.094 10.134 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.503 1.582 9.199 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.810 1.492 6.535 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.976 2.907 7.601 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.303 1.388 8.238 1.00 0.00 H new ATOM 749 N MET A 48 -5.033 2.592 8.611 1.00 0.00 N ATOM 750 CA MET A 48 -6.178 1.684 8.734 1.00 0.00 C ATOM 751 C MET A 48 -7.208 1.925 7.627 1.00 0.00 C ATOM 752 O MET A 48 -7.507 1.002 6.870 1.00 0.00 O ATOM 753 CB MET A 48 -6.837 1.814 10.115 1.00 0.00 C ATOM 754 CG MET A 48 -6.022 1.136 11.222 1.00 0.00 C ATOM 755 SD MET A 48 -6.847 -0.308 11.943 1.00 0.00 S ATOM 756 CE MET A 48 -5.416 -1.128 12.686 1.00 0.00 C ATOM 0 H MET A 48 -4.916 3.204 9.419 1.00 0.00 H new ATOM 0 HA MET A 48 -5.799 0.668 8.625 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.963 2.870 10.356 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.834 1.374 10.081 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.058 0.829 10.817 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.820 1.861 12.010 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.636 -2.186 12.828 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.554 -1.022 12.028 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.195 -0.671 13.651 1.00 0.00 H new ATOM 766 N GLU A 49 -7.743 3.146 7.503 1.00 0.00 N ATOM 767 CA GLU A 49 -8.740 3.454 6.470 1.00 0.00 C ATOM 768 C GLU A 49 -8.206 3.184 5.054 1.00 0.00 C ATOM 769 O GLU A 49 -8.918 2.597 4.242 1.00 0.00 O ATOM 770 CB GLU A 49 -9.331 4.871 6.628 1.00 0.00 C ATOM 771 CG GLU A 49 -8.417 6.021 6.184 1.00 0.00 C ATOM 772 CD GLU A 49 -9.056 7.400 6.441 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.048 7.749 5.753 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.545 8.163 7.296 1.00 0.00 O ATOM 0 H GLU A 49 -7.503 3.935 8.103 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.572 2.765 6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.258 4.925 6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.593 5.022 7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.468 5.956 6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.194 5.917 5.122 1.00 0.00 H new ATOM 781 N GLU A 50 -6.943 3.525 4.765 1.00 0.00 N ATOM 782 CA GLU A 50 -6.329 3.239 3.466 1.00 0.00 C ATOM 783 C GLU A 50 -6.146 1.735 3.213 1.00 0.00 C ATOM 784 O GLU A 50 -6.521 1.258 2.144 1.00 0.00 O ATOM 785 CB GLU A 50 -5.010 4.007 3.305 1.00 0.00 C ATOM 786 CG GLU A 50 -4.483 3.878 1.866 1.00 0.00 C ATOM 787 CD GLU A 50 -3.496 5.003 1.513 1.00 0.00 C ATOM 788 OE1 GLU A 50 -3.936 6.174 1.437 1.00 0.00 O ATOM 789 OE2 GLU A 50 -2.294 4.712 1.281 1.00 0.00 O ATOM 0 H GLU A 50 -6.324 4.003 5.420 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.022 3.590 2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.162 5.058 3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.270 3.621 4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.991 2.913 1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.321 3.899 1.169 1.00 0.00 H new ATOM 796 N LYS A 51 -5.629 0.963 4.180 1.00 0.00 N ATOM 797 CA LYS A 51 -5.482 -0.498 4.059 1.00 0.00 C ATOM 798 C LYS A 51 -6.815 -1.172 3.732 1.00 0.00 C ATOM 799 O LYS A 51 -6.886 -1.947 2.778 1.00 0.00 O ATOM 800 CB LYS A 51 -4.845 -1.071 5.338 1.00 0.00 C ATOM 801 CG LYS A 51 -4.597 -2.589 5.307 1.00 0.00 C ATOM 802 CD LYS A 51 -3.670 -3.026 4.160 1.00 0.00 C ATOM 803 CE LYS A 51 -3.219 -4.486 4.307 1.00 0.00 C ATOM 804 NZ LYS A 51 -2.111 -4.632 5.286 1.00 0.00 N ATOM 0 H LYS A 51 -5.300 1.334 5.071 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.815 -0.711 3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.896 -0.565 5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.491 -0.839 6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.161 -2.899 6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.552 -3.105 5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.187 -2.901 3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.794 -2.377 4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.065 -5.096 4.624 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.898 -4.865 3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.156 -5.575 5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.199 -4.520 4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.201 -3.904 6.023 1.00 0.00 H new ATOM 818 N ILE A 52 -7.874 -0.848 4.476 1.00 0.00 N ATOM 819 CA ILE A 52 -9.223 -1.388 4.256 1.00 0.00 C ATOM 820 C ILE A 52 -9.775 -0.948 2.885 1.00 0.00 C ATOM 821 O ILE A 52 -10.309 -1.779 2.152 1.00 0.00 O ATOM 822 CB ILE A 52 -10.169 -1.000 5.416 1.00 0.00 C ATOM 823 CG1 ILE A 52 -9.634 -1.465 6.795 1.00 0.00 C ATOM 824 CG2 ILE A 52 -11.563 -1.621 5.199 1.00 0.00 C ATOM 825 CD1 ILE A 52 -10.262 -0.688 7.961 1.00 0.00 C ATOM 0 H ILE A 52 -7.822 -0.196 5.258 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.161 -2.476 4.243 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.229 0.088 5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.837 -2.529 6.920 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.551 -1.342 6.822 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.219 -1.340 6.023 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.982 -1.256 4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.475 -2.707 5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.853 -1.053 8.903 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.037 0.373 7.854 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.342 -0.832 7.954 1.00 0.00 H new ATOM 837 N GLN A 53 -9.620 0.326 2.504 1.00 0.00 N ATOM 838 CA GLN A 53 -10.081 0.873 1.219 1.00 0.00 C ATOM 839 C GLN A 53 -9.388 0.221 0.003 1.00 0.00 C ATOM 840 O GLN A 53 -10.054 -0.116 -0.978 1.00 0.00 O ATOM 841 CB GLN A 53 -9.877 2.401 1.230 1.00 0.00 C ATOM 842 CG GLN A 53 -10.463 3.139 0.015 1.00 0.00 C ATOM 843 CD GLN A 53 -11.986 3.030 -0.089 1.00 0.00 C ATOM 844 OE1 GLN A 53 -12.723 3.117 0.885 1.00 0.00 O ATOM 845 NE2 GLN A 53 -12.529 2.834 -1.273 1.00 0.00 N ATOM 0 H GLN A 53 -9.161 1.021 3.092 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.140 0.640 1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.327 2.807 2.136 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.809 2.610 1.284 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.185 4.191 0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.015 2.738 -0.894 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.936 2.758 -2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.542 2.758 -1.363 1.00 0.00 H new ATOM 854 N ILE A 54 -8.061 0.054 0.052 1.00 0.00 N ATOM 855 CA ILE A 54 -7.231 -0.491 -1.035 1.00 0.00 C ATOM 856 C ILE A 54 -7.300 -2.029 -1.091 1.00 0.00 C ATOM 857 O ILE A 54 -7.613 -2.591 -2.142 1.00 0.00 O ATOM 858 CB ILE A 54 -5.776 0.028 -0.901 1.00 0.00 C ATOM 859 CG1 ILE A 54 -5.674 1.572 -1.019 1.00 0.00 C ATOM 860 CG2 ILE A 54 -4.827 -0.631 -1.919 1.00 0.00 C ATOM 861 CD1 ILE A 54 -6.080 2.180 -2.369 1.00 0.00 C ATOM 0 H ILE A 54 -7.515 0.302 0.877 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.629 -0.137 -1.986 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.463 -0.255 0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.297 2.016 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.645 1.864 -0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.820 -0.236 -1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.817 -1.710 -1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.171 -0.415 -2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.966 3.263 -2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.442 1.777 -3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.120 1.932 -2.582 1.00 0.00 H new ATOM 873 N SER A 55 -6.997 -2.722 0.016 1.00 0.00 N ATOM 874 CA SER A 55 -6.917 -4.195 0.079 1.00 0.00 C ATOM 875 C SER A 55 -8.294 -4.870 0.186 1.00 0.00 C ATOM 876 O SER A 55 -8.557 -5.862 -0.499 1.00 0.00 O ATOM 877 CB SER A 55 -6.049 -4.623 1.270 1.00 0.00 C ATOM 878 OG SER A 55 -5.776 -6.013 1.218 1.00 0.00 O ATOM 0 H SER A 55 -6.797 -2.271 0.909 1.00 0.00 H new ATOM 0 HA SER A 55 -6.468 -4.522 -0.859 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.114 -4.063 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.559 -4.382 2.203 1.00 0.00 H new ATOM 0 HG SER A 55 -5.220 -6.266 1.985 1.00 0.00 H new ATOM 884 N GLY A 56 -9.183 -4.329 1.028 1.00 0.00 N ATOM 885 CA GLY A 56 -10.544 -4.830 1.287 1.00 0.00 C ATOM 886 C GLY A 56 -10.794 -5.323 2.723 1.00 0.00 C ATOM 887 O GLY A 56 -11.945 -5.572 3.086 1.00 0.00 O ATOM 0 H GLY A 56 -8.967 -3.494 1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.256 -4.036 1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.751 -5.648 0.597 1.00 0.00 H new ATOM 891 N SER A 57 -9.750 -5.461 3.551 1.00 0.00 N ATOM 892 CA SER A 57 -9.824 -5.919 4.951 1.00 0.00 C ATOM 893 C SER A 57 -8.788 -5.235 5.861 1.00 0.00 C ATOM 894 O SER A 57 -7.867 -4.563 5.388 1.00 0.00 O ATOM 895 CB SER A 57 -9.675 -7.448 5.008 1.00 0.00 C ATOM 896 OG SER A 57 -8.400 -7.872 4.549 1.00 0.00 O ATOM 0 H SER A 57 -8.796 -5.250 3.257 1.00 0.00 H new ATOM 0 HA SER A 57 -10.803 -5.633 5.334 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.824 -7.790 6.032 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.452 -7.912 4.401 1.00 0.00 H new ATOM 0 HG SER A 57 -8.342 -8.849 4.601 1.00 0.00 H new ATOM 902 N ASN A 58 -8.947 -5.384 7.182 1.00 0.00 N ATOM 903 CA ASN A 58 -8.052 -4.822 8.203 1.00 0.00 C ATOM 904 C ASN A 58 -6.803 -5.714 8.439 1.00 0.00 C ATOM 905 O ASN A 58 -6.725 -6.854 7.970 1.00 0.00 O ATOM 906 CB ASN A 58 -8.886 -4.585 9.485 1.00 0.00 C ATOM 907 CG ASN A 58 -8.373 -3.439 10.351 1.00 0.00 C ATOM 908 OD1 ASN A 58 -7.184 -3.226 10.516 1.00 0.00 O ATOM 909 ND2 ASN A 58 -9.242 -2.625 10.901 1.00 0.00 N ATOM 0 H ASN A 58 -9.722 -5.913 7.582 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.645 -3.869 7.865 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.919 -4.380 9.203 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.893 -5.500 10.077 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.918 -1.832 11.454 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.241 -2.785 10.775 1.00 0.00 H new ATOM 916 N TYR A 59 -5.823 -5.202 9.184 1.00 0.00 N ATOM 917 CA TYR A 59 -4.573 -5.850 9.591 1.00 0.00 C ATOM 918 C TYR A 59 -4.779 -7.137 10.414 1.00 0.00 C ATOM 919 O TYR A 59 -5.753 -7.282 11.156 1.00 0.00 O ATOM 920 CB TYR A 59 -3.735 -4.828 10.378 1.00 0.00 C ATOM 921 CG TYR A 59 -3.107 -3.760 9.504 1.00 0.00 C ATOM 922 CD1 TYR A 59 -1.868 -4.024 8.895 1.00 0.00 C ATOM 923 CD2 TYR A 59 -3.751 -2.525 9.281 1.00 0.00 C ATOM 924 CE1 TYR A 59 -1.272 -3.064 8.060 1.00 0.00 C ATOM 925 CE2 TYR A 59 -3.157 -1.562 8.439 1.00 0.00 C ATOM 926 CZ TYR A 59 -1.920 -1.838 7.821 1.00 0.00 C ATOM 927 OH TYR A 59 -1.368 -0.954 6.951 1.00 0.00 O ATOM 0 H TYR A 59 -5.886 -4.251 9.547 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.053 -6.170 8.688 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.368 -4.349 11.125 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.948 -5.354 10.918 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.373 -4.968 9.069 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.699 -2.317 9.755 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.316 -3.267 7.601 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.648 -0.616 8.268 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.822 -1.020 6.085 1.00 0.00 H new ATOM 937 N LYS A 60 -3.827 -8.075 10.292 1.00 0.00 N ATOM 938 CA LYS A 60 -3.813 -9.377 10.987 1.00 0.00 C ATOM 939 C LYS A 60 -3.281 -9.277 12.422 1.00 0.00 C ATOM 940 O LYS A 60 -3.948 -9.717 13.361 1.00 0.00 O ATOM 941 CB LYS A 60 -2.982 -10.389 10.172 1.00 0.00 C ATOM 942 CG LYS A 60 -3.467 -10.667 8.737 1.00 0.00 C ATOM 943 CD LYS A 60 -4.848 -11.343 8.631 1.00 0.00 C ATOM 944 CE LYS A 60 -6.047 -10.382 8.692 1.00 0.00 C ATOM 945 NZ LYS A 60 -6.188 -9.579 7.450 1.00 0.00 N ATOM 0 H LYS A 60 -3.017 -7.946 9.686 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.845 -9.720 11.062 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.955 -10.028 10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.962 -11.333 10.716 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.499 -9.723 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.732 -11.298 8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.893 -11.898 7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.943 -12.070 9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.960 -10.954 8.858 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.930 -9.712 9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.387 -8.589 7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.305 -9.628 6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.971 -9.957 6.879 1.00 0.00 H new ATOM 959 N SER A 61 -2.091 -8.696 12.579 1.00 0.00 N ATOM 960 CA SER A 61 -1.358 -8.542 13.845 1.00 0.00 C ATOM 961 C SER A 61 -0.569 -7.228 13.860 1.00 0.00 C ATOM 962 O SER A 61 -0.357 -6.615 12.810 1.00 0.00 O ATOM 963 CB SER A 61 -0.378 -9.712 14.041 1.00 0.00 C ATOM 964 OG SER A 61 -1.043 -10.966 14.046 1.00 0.00 O ATOM 0 H SER A 61 -1.583 -8.298 11.789 1.00 0.00 H new ATOM 0 HA SER A 61 -2.089 -8.533 14.654 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.366 -9.699 13.245 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.159 -9.582 14.981 1.00 0.00 H new ATOM 0 HG SER A 61 -0.387 -11.684 14.171 1.00 0.00 H new ATOM 970 N LEU A 62 -0.090 -6.814 15.041 1.00 0.00 N ATOM 971 CA LEU A 62 0.712 -5.597 15.204 1.00 0.00 C ATOM 972 C LEU A 62 1.971 -5.616 14.331 1.00 0.00 C ATOM 973 O LEU A 62 2.327 -4.579 13.791 1.00 0.00 O ATOM 974 CB LEU A 62 1.103 -5.370 16.682 1.00 0.00 C ATOM 975 CG LEU A 62 0.028 -4.809 17.634 1.00 0.00 C ATOM 976 CD1 LEU A 62 -0.544 -3.477 17.145 1.00 0.00 C ATOM 977 CD2 LEU A 62 -1.128 -5.774 17.889 1.00 0.00 C ATOM 0 H LEU A 62 -0.250 -7.318 15.914 1.00 0.00 H new ATOM 0 HA LEU A 62 0.083 -4.769 14.876 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.445 -6.322 17.088 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.955 -4.691 16.702 1.00 0.00 H new ATOM 0 HG LEU A 62 0.557 -4.656 18.575 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.297 -3.124 17.850 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.257 -2.742 17.071 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.001 -3.615 16.165 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.845 -5.312 18.567 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.621 -6.009 16.945 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.745 -6.691 18.336 1.00 0.00 H new ATOM 989 N GLU A 63 2.600 -6.779 14.128 1.00 0.00 N ATOM 990 CA GLU A 63 3.786 -6.954 13.274 1.00 0.00 C ATOM 991 C GLU A 63 3.605 -6.337 11.876 1.00 0.00 C ATOM 992 O GLU A 63 4.447 -5.561 11.425 1.00 0.00 O ATOM 993 CB GLU A 63 4.122 -8.451 13.130 1.00 0.00 C ATOM 994 CG GLU A 63 4.461 -9.160 14.449 1.00 0.00 C ATOM 995 CD GLU A 63 5.677 -8.540 15.164 1.00 0.00 C ATOM 996 OE1 GLU A 63 6.792 -8.528 14.585 1.00 0.00 O ATOM 997 OE2 GLU A 63 5.532 -8.069 16.319 1.00 0.00 O ATOM 0 H GLU A 63 2.292 -7.649 14.563 1.00 0.00 H new ATOM 0 HA GLU A 63 4.606 -6.429 13.764 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.274 -8.957 12.668 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.966 -8.556 12.449 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.596 -9.119 15.111 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.660 -10.213 14.250 1.00 0.00 H new ATOM 1004 N VAL A 64 2.492 -6.655 11.204 1.00 0.00 N ATOM 1005 CA VAL A 64 2.153 -6.119 9.874 1.00 0.00 C ATOM 1006 C VAL A 64 1.802 -4.631 9.961 1.00 0.00 C ATOM 1007 O VAL A 64 2.256 -3.843 9.130 1.00 0.00 O ATOM 1008 CB VAL A 64 0.997 -6.905 9.218 1.00 0.00 C ATOM 1009 CG1 VAL A 64 0.838 -6.526 7.740 1.00 0.00 C ATOM 1010 CG2 VAL A 64 1.217 -8.422 9.272 1.00 0.00 C ATOM 0 H VAL A 64 1.791 -7.299 11.570 1.00 0.00 H new ATOM 0 HA VAL A 64 3.035 -6.236 9.244 1.00 0.00 H new ATOM 0 HB VAL A 64 0.106 -6.642 9.787 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.017 -7.095 7.305 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.624 -5.460 7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.760 -6.753 7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.376 -8.929 8.798 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.137 -8.675 8.745 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.294 -8.742 10.311 1.00 0.00 H new ATOM 1020 N LEU A 65 1.028 -4.236 10.982 1.00 0.00 N ATOM 1021 CA LEU A 65 0.604 -2.852 11.222 1.00 0.00 C ATOM 1022 C LEU A 65 1.811 -1.905 11.379 1.00 0.00 C ATOM 1023 O LEU A 65 1.928 -0.923 10.649 1.00 0.00 O ATOM 1024 CB LEU A 65 -0.336 -2.802 12.451 1.00 0.00 C ATOM 1025 CG LEU A 65 -1.514 -1.804 12.371 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -2.036 -1.545 13.787 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -1.195 -0.450 11.745 1.00 0.00 C ATOM 0 H LEU A 65 0.671 -4.888 11.681 1.00 0.00 H new ATOM 0 HA LEU A 65 0.052 -2.499 10.351 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.743 -3.800 12.611 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.261 -2.557 13.329 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.243 -2.280 11.716 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.868 -0.842 13.745 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.375 -2.483 14.227 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.237 -1.126 14.398 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.092 0.169 11.740 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.416 0.045 12.325 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.849 -0.595 10.722 1.00 0.00 H new ATOM 1039 N VAL A 66 2.725 -2.198 12.311 1.00 0.00 N ATOM 1040 CA VAL A 66 3.896 -1.359 12.635 1.00 0.00 C ATOM 1041 C VAL A 66 4.943 -1.343 11.521 1.00 0.00 C ATOM 1042 O VAL A 66 5.550 -0.299 11.279 1.00 0.00 O ATOM 1043 CB VAL A 66 4.529 -1.707 13.999 1.00 0.00 C ATOM 1044 CG1 VAL A 66 3.471 -1.678 15.115 1.00 0.00 C ATOM 1045 CG2 VAL A 66 5.296 -3.035 14.021 1.00 0.00 C ATOM 0 H VAL A 66 2.674 -3.045 12.878 1.00 0.00 H new ATOM 0 HA VAL A 66 3.505 -0.345 12.718 1.00 0.00 H new ATOM 0 HB VAL A 66 5.274 -0.932 14.178 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.940 -1.926 16.067 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.033 -0.682 15.175 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.690 -2.405 14.895 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.708 -3.201 15.017 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.619 -3.851 13.768 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.108 -2.999 13.294 1.00 0.00 H new ATOM 1055 N ALA A 67 5.119 -2.454 10.797 1.00 0.00 N ATOM 1056 CA ALA A 67 5.952 -2.514 9.597 1.00 0.00 C ATOM 1057 C ALA A 67 5.410 -1.586 8.495 1.00 0.00 C ATOM 1058 O ALA A 67 6.146 -0.747 7.970 1.00 0.00 O ATOM 1059 CB ALA A 67 6.049 -3.968 9.117 1.00 0.00 C ATOM 0 H ALA A 67 4.681 -3.345 11.033 1.00 0.00 H new ATOM 0 HA ALA A 67 6.954 -2.160 9.840 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.670 -4.015 8.222 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.495 -4.581 9.901 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.052 -4.342 8.887 1.00 0.00 H new ATOM 1065 N ASP A 68 4.119 -1.702 8.164 1.00 0.00 N ATOM 1066 CA ASP A 68 3.476 -0.847 7.160 1.00 0.00 C ATOM 1067 C ASP A 68 3.421 0.630 7.602 1.00 0.00 C ATOM 1068 O ASP A 68 3.594 1.506 6.756 1.00 0.00 O ATOM 1069 CB ASP A 68 2.090 -1.396 6.769 1.00 0.00 C ATOM 1070 CG ASP A 68 2.132 -2.655 5.867 1.00 0.00 C ATOM 1071 OD1 ASP A 68 3.231 -3.139 5.502 1.00 0.00 O ATOM 1072 OD2 ASP A 68 1.048 -3.146 5.463 1.00 0.00 O ATOM 0 H ASP A 68 3.492 -2.389 8.583 1.00 0.00 H new ATOM 0 HA ASP A 68 4.096 -0.870 6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.537 -1.633 7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.535 -0.613 6.253 1.00 0.00 H new ATOM 1077 N LEU A 69 3.279 0.928 8.903 1.00 0.00 N ATOM 1078 CA LEU A 69 3.404 2.280 9.470 1.00 0.00 C ATOM 1079 C LEU A 69 4.770 2.910 9.181 1.00 0.00 C ATOM 1080 O LEU A 69 4.817 3.956 8.530 1.00 0.00 O ATOM 1081 CB LEU A 69 3.135 2.282 10.986 1.00 0.00 C ATOM 1082 CG LEU A 69 1.651 2.313 11.380 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.502 1.925 12.849 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.051 3.714 11.208 1.00 0.00 C ATOM 0 H LEU A 69 3.069 0.219 9.606 1.00 0.00 H new ATOM 0 HA LEU A 69 2.645 2.888 8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.593 1.395 11.423 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.631 3.147 11.427 1.00 0.00 H new ATOM 0 HG LEU A 69 1.128 1.612 10.729 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.448 1.948 13.126 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.896 0.920 13.002 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.056 2.630 13.469 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.000 3.698 11.496 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.589 4.420 11.840 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.137 4.021 10.166 1.00 0.00 H new ATOM 1096 N VAL A 70 5.878 2.313 9.645 1.00 0.00 N ATOM 1097 CA VAL A 70 7.215 2.890 9.394 1.00 0.00 C ATOM 1098 C VAL A 70 7.523 2.984 7.898 1.00 0.00 C ATOM 1099 O VAL A 70 8.075 3.989 7.459 1.00 0.00 O ATOM 1100 CB VAL A 70 8.366 2.194 10.149 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.144 2.247 11.662 1.00 0.00 C ATOM 1102 CG2 VAL A 70 8.617 0.737 9.747 1.00 0.00 C ATOM 0 H VAL A 70 5.881 1.448 10.186 1.00 0.00 H new ATOM 0 HA VAL A 70 7.160 3.898 9.805 1.00 0.00 H new ATOM 0 HB VAL A 70 9.252 2.760 9.861 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.971 1.749 12.169 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.093 3.286 11.986 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.210 1.743 11.911 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.444 0.335 10.332 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.719 0.148 9.935 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.866 0.690 8.687 1.00 0.00 H new ATOM 1112 N ASN A 71 7.105 1.995 7.099 1.00 0.00 N ATOM 1113 CA ASN A 71 7.213 2.006 5.639 1.00 0.00 C ATOM 1114 C ASN A 71 6.467 3.199 5.008 1.00 0.00 C ATOM 1115 O ASN A 71 7.044 3.933 4.206 1.00 0.00 O ATOM 1116 CB ASN A 71 6.703 0.659 5.105 1.00 0.00 C ATOM 1117 CG ASN A 71 6.753 0.585 3.589 1.00 0.00 C ATOM 1118 OD1 ASN A 71 7.812 0.530 2.980 1.00 0.00 O ATOM 1119 ND2 ASN A 71 5.616 0.592 2.930 1.00 0.00 N ATOM 0 H ASN A 71 6.672 1.145 7.461 1.00 0.00 H new ATOM 0 HA ASN A 71 8.258 2.136 5.357 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.304 -0.147 5.526 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.678 0.502 5.441 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.617 0.552 1.911 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.733 0.638 3.438 1.00 0.00 H new ATOM 1126 N ALA A 72 5.202 3.419 5.378 1.00 0.00 N ATOM 1127 CA ALA A 72 4.388 4.539 4.906 1.00 0.00 C ATOM 1128 C ALA A 72 4.980 5.905 5.307 1.00 0.00 C ATOM 1129 O ALA A 72 5.076 6.801 4.469 1.00 0.00 O ATOM 1130 CB ALA A 72 2.955 4.371 5.427 1.00 0.00 C ATOM 0 H ALA A 72 4.706 2.809 6.028 1.00 0.00 H new ATOM 0 HA ALA A 72 4.381 4.526 3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.342 5.202 5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.540 3.434 5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.963 4.357 6.517 1.00 0.00 H new ATOM 1136 N GLN A 73 5.422 6.058 6.562 1.00 0.00 N ATOM 1137 CA GLN A 73 6.033 7.289 7.091 1.00 0.00 C ATOM 1138 C GLN A 73 7.343 7.706 6.387 1.00 0.00 C ATOM 1139 O GLN A 73 7.732 8.874 6.483 1.00 0.00 O ATOM 1140 CB GLN A 73 6.301 7.133 8.597 1.00 0.00 C ATOM 1141 CG GLN A 73 5.034 7.194 9.472 1.00 0.00 C ATOM 1142 CD GLN A 73 5.367 7.053 10.957 1.00 0.00 C ATOM 1143 OE1 GLN A 73 6.283 6.352 11.371 1.00 0.00 O ATOM 1144 NE2 GLN A 73 4.684 7.722 11.855 1.00 0.00 N ATOM 0 H GLN A 73 5.364 5.313 7.256 1.00 0.00 H new ATOM 0 HA GLN A 73 5.311 8.082 6.896 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.803 6.181 8.769 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.988 7.917 8.916 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.519 8.140 9.302 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.348 6.400 9.176 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.911 8.321 11.566 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.926 7.643 12.843 1.00 0.00 H new ATOM 1153 N LYS A 74 8.024 6.798 5.671 1.00 0.00 N ATOM 1154 CA LYS A 74 9.239 7.108 4.884 1.00 0.00 C ATOM 1155 C LYS A 74 8.968 7.998 3.660 1.00 0.00 C ATOM 1156 O LYS A 74 9.905 8.588 3.123 1.00 0.00 O ATOM 1157 CB LYS A 74 9.941 5.819 4.419 1.00 0.00 C ATOM 1158 CG LYS A 74 10.344 4.878 5.566 1.00 0.00 C ATOM 1159 CD LYS A 74 11.847 4.599 5.636 1.00 0.00 C ATOM 1160 CE LYS A 74 12.114 3.601 6.772 1.00 0.00 C ATOM 1161 NZ LYS A 74 13.512 3.681 7.266 1.00 0.00 N ATOM 0 H LYS A 74 7.748 5.817 5.618 1.00 0.00 H new ATOM 0 HA LYS A 74 9.885 7.667 5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.280 5.283 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.833 6.087 3.852 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.020 5.313 6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.813 3.933 5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.200 4.194 4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.395 5.525 5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.427 3.797 7.595 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.911 2.589 6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.650 2.991 8.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.168 3.469 6.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.699 4.639 7.625 1.00 0.00 H new ATOM 1175 N ASP A 75 7.712 8.119 3.234 1.00 0.00 N ATOM 1176 CA ASP A 75 7.247 8.877 2.066 1.00 0.00 C ATOM 1177 C ASP A 75 6.040 9.773 2.419 1.00 0.00 C ATOM 1178 O ASP A 75 5.463 9.674 3.505 1.00 0.00 O ATOM 1179 CB ASP A 75 6.886 7.885 0.942 1.00 0.00 C ATOM 1180 CG ASP A 75 8.125 7.228 0.298 1.00 0.00 C ATOM 1181 OD1 ASP A 75 8.630 6.212 0.830 1.00 0.00 O ATOM 1182 OD2 ASP A 75 8.572 7.702 -0.772 1.00 0.00 O ATOM 0 H ASP A 75 6.942 7.663 3.723 1.00 0.00 H new ATOM 0 HA ASP A 75 8.045 9.538 1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.237 7.107 1.345 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.317 8.407 0.173 1.00 0.00 H new ATOM 1187 N SER A 76 5.629 10.650 1.500 1.00 0.00 N ATOM 1188 CA SER A 76 4.388 11.433 1.628 1.00 0.00 C ATOM 1189 C SER A 76 3.142 10.566 1.413 1.00 0.00 C ATOM 1190 O SER A 76 2.905 10.049 0.319 1.00 0.00 O ATOM 1191 CB SER A 76 4.370 12.607 0.647 1.00 0.00 C ATOM 1192 OG SER A 76 5.014 13.722 1.234 1.00 0.00 O ATOM 0 H SER A 76 6.146 10.841 0.642 1.00 0.00 H new ATOM 0 HA SER A 76 4.367 11.820 2.647 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.873 12.329 -0.279 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.343 12.862 0.387 1.00 0.00 H new ATOM 0 HG SER A 76 5.004 14.474 0.605 1.00 0.00 H new ATOM 1198 N MET A 77 2.309 10.446 2.452 1.00 0.00 N ATOM 1199 CA MET A 77 1.021 9.732 2.441 1.00 0.00 C ATOM 1200 C MET A 77 0.059 10.218 1.335 1.00 0.00 C ATOM 1201 O MET A 77 -0.675 9.423 0.747 1.00 0.00 O ATOM 1202 CB MET A 77 0.392 9.900 3.836 1.00 0.00 C ATOM 1203 CG MET A 77 -0.977 9.231 4.001 1.00 0.00 C ATOM 1204 SD MET A 77 -1.058 7.445 3.682 1.00 0.00 S ATOM 1205 CE MET A 77 -0.035 6.800 5.031 1.00 0.00 C ATOM 0 H MET A 77 2.519 10.859 3.361 1.00 0.00 H new ATOM 0 HA MET A 77 1.202 8.682 2.213 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.075 9.490 4.580 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.290 10.964 4.049 1.00 0.00 H new ATOM 0 HG2 MET A 77 -1.323 9.410 5.019 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.681 9.728 3.333 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.020 5.711 4.988 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.981 7.181 4.931 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.450 7.119 5.987 1.00 0.00 H new ATOM 1215 N GLN A 78 0.079 11.521 1.035 1.00 0.00 N ATOM 1216 CA GLN A 78 -0.795 12.200 0.065 1.00 0.00 C ATOM 1217 C GLN A 78 -0.100 12.537 -1.274 1.00 0.00 C ATOM 1218 O GLN A 78 -0.553 13.427 -1.996 1.00 0.00 O ATOM 1219 CB GLN A 78 -1.488 13.404 0.742 1.00 0.00 C ATOM 1220 CG GLN A 78 -0.578 14.429 1.448 1.00 0.00 C ATOM 1221 CD GLN A 78 0.427 15.124 0.533 1.00 0.00 C ATOM 1222 OE1 GLN A 78 1.539 14.659 0.328 1.00 0.00 O ATOM 1223 NE2 GLN A 78 0.097 16.267 -0.031 1.00 0.00 N ATOM 0 H GLN A 78 0.734 12.163 1.481 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.573 11.499 -0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.068 13.931 -0.016 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.197 13.019 1.475 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.204 15.186 1.920 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.034 13.923 2.246 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.827 16.667 0.131 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.765 16.752 -0.630 1.00 0.00 H new ATOM 1232 N ASP A 79 1.007 11.858 -1.604 1.00 0.00 N ATOM 1233 CA ASP A 79 1.769 12.024 -2.852 1.00 0.00 C ATOM 1234 C ASP A 79 0.939 11.690 -4.113 1.00 0.00 C ATOM 1235 O ASP A 79 0.899 10.548 -4.579 1.00 0.00 O ATOM 1236 CB ASP A 79 3.060 11.189 -2.793 1.00 0.00 C ATOM 1237 CG ASP A 79 3.896 11.291 -4.086 1.00 0.00 C ATOM 1238 OD1 ASP A 79 3.963 12.389 -4.690 1.00 0.00 O ATOM 1239 OD2 ASP A 79 4.503 10.271 -4.499 1.00 0.00 O ATOM 0 H ASP A 79 1.412 11.153 -0.988 1.00 0.00 H new ATOM 0 HA ASP A 79 2.030 13.079 -2.938 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.664 11.520 -1.948 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.804 10.145 -2.612 1.00 0.00 H new ATOM 1244 N GLU A 80 0.261 12.697 -4.664 1.00 0.00 N ATOM 1245 CA GLU A 80 -0.559 12.632 -5.878 1.00 0.00 C ATOM 1246 C GLU A 80 -0.518 13.976 -6.634 1.00 0.00 C ATOM 1247 O GLU A 80 -0.331 15.037 -6.031 1.00 0.00 O ATOM 1248 CB GLU A 80 -1.994 12.235 -5.479 1.00 0.00 C ATOM 1249 CG GLU A 80 -2.833 11.759 -6.673 1.00 0.00 C ATOM 1250 CD GLU A 80 -4.153 11.097 -6.221 1.00 0.00 C ATOM 1251 OE1 GLU A 80 -4.113 10.034 -5.553 1.00 0.00 O ATOM 1252 OE2 GLU A 80 -5.249 11.606 -6.564 1.00 0.00 O ATOM 0 H GLU A 80 0.268 13.631 -4.255 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.164 11.879 -6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.952 11.443 -4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.486 13.088 -5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.055 12.606 -7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.254 11.049 -7.264 1.00 0.00 H new ATOM 1259 N SER A 81 -0.687 13.943 -7.960 1.00 0.00 N ATOM 1260 CA SER A 81 -0.605 15.106 -8.858 1.00 0.00 C ATOM 1261 C SER A 81 -1.665 16.182 -8.570 1.00 0.00 C ATOM 1262 O SER A 81 -1.325 17.352 -8.377 1.00 0.00 O ATOM 1263 CB SER A 81 -0.690 14.642 -10.320 1.00 0.00 C ATOM 1264 OG SER A 81 -1.799 13.778 -10.522 1.00 0.00 O ATOM 0 H SER A 81 -0.892 13.077 -8.458 1.00 0.00 H new ATOM 0 HA SER A 81 0.359 15.579 -8.672 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.777 15.509 -10.975 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.230 14.127 -10.595 1.00 0.00 H new ATOM 0 HG SER A 81 -1.830 13.499 -11.461 1.00 0.00 H new ATOM 1270 N SER A 82 -2.943 15.798 -8.523 1.00 0.00 N ATOM 1271 CA SER A 82 -4.099 16.660 -8.244 1.00 0.00 C ATOM 1272 C SER A 82 -4.608 16.485 -6.803 1.00 0.00 C ATOM 1273 O SER A 82 -5.115 15.428 -6.419 1.00 0.00 O ATOM 1274 CB SER A 82 -5.208 16.441 -9.287 1.00 0.00 C ATOM 1275 OG SER A 82 -5.508 15.066 -9.495 1.00 0.00 O ATOM 0 H SER A 82 -3.215 14.829 -8.687 1.00 0.00 H new ATOM 0 HA SER A 82 -3.773 17.697 -8.328 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.111 16.960 -8.965 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.904 16.889 -10.233 1.00 0.00 H new ATOM 0 HG SER A 82 -6.219 14.984 -10.164 1.00 0.00 H new ATOM 1281 N GLN A 83 -4.451 17.532 -5.985 1.00 0.00 N ATOM 1282 CA GLN A 83 -4.841 17.593 -4.569 1.00 0.00 C ATOM 1283 C GLN A 83 -5.576 18.907 -4.265 1.00 0.00 C ATOM 1284 O GLN A 83 -5.012 19.996 -4.396 1.00 0.00 O ATOM 1285 CB GLN A 83 -3.592 17.450 -3.678 1.00 0.00 C ATOM 1286 CG GLN A 83 -3.142 15.995 -3.453 1.00 0.00 C ATOM 1287 CD GLN A 83 -4.122 15.197 -2.589 1.00 0.00 C ATOM 1288 OE1 GLN A 83 -4.724 14.219 -3.012 1.00 0.00 O ATOM 1289 NE2 GLN A 83 -4.343 15.585 -1.348 1.00 0.00 N ATOM 0 H GLN A 83 -4.028 18.403 -6.307 1.00 0.00 H new ATOM 0 HA GLN A 83 -5.523 16.770 -4.355 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.771 18.007 -4.130 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.795 17.910 -2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.030 15.501 -4.418 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -2.161 15.992 -2.978 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.853 16.397 -0.973 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.004 15.073 -0.764 1.00 0.00 H new ATOM 1298 N THR A 84 -6.839 18.816 -3.840 1.00 0.00 N ATOM 1299 CA THR A 84 -7.722 19.932 -3.436 1.00 0.00 C ATOM 1300 C THR A 84 -7.385 20.497 -2.039 1.00 0.00 C ATOM 1301 O THR A 84 -8.261 20.736 -1.205 1.00 0.00 O ATOM 1302 CB THR A 84 -9.202 19.501 -3.540 1.00 0.00 C ATOM 1303 OG1 THR A 84 -9.402 18.233 -2.939 1.00 0.00 O ATOM 1304 CG2 THR A 84 -9.639 19.384 -5.001 1.00 0.00 C ATOM 0 H THR A 84 -7.307 17.913 -3.761 1.00 0.00 H new ATOM 0 HA THR A 84 -7.546 20.754 -4.131 1.00 0.00 H new ATOM 0 HB THR A 84 -9.788 20.265 -3.028 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.346 17.980 -3.015 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.685 19.079 -5.045 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.521 20.349 -5.494 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.023 18.640 -5.507 1.00 0.00 H new ATOM 1312 N SER A 85 -6.096 20.717 -1.763 1.00 0.00 N ATOM 1313 CA SER A 85 -5.584 21.259 -0.490 1.00 0.00 C ATOM 1314 C SER A 85 -5.832 22.768 -0.320 1.00 0.00 C ATOM 1315 O SER A 85 -6.007 23.236 0.806 1.00 0.00 O ATOM 1316 CB SER A 85 -4.075 20.998 -0.376 1.00 0.00 C ATOM 1317 OG SER A 85 -3.785 19.614 -0.514 1.00 0.00 O ATOM 0 H SER A 85 -5.355 20.519 -2.435 1.00 0.00 H new ATOM 0 HA SER A 85 -6.135 20.744 0.297 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.546 21.562 -1.144 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.713 21.355 0.588 1.00 0.00 H new ATOM 0 HG SER A 85 -2.818 19.473 -0.440 1.00 0.00 H new ATOM 1323 N LEU A 86 -5.845 23.533 -1.425 1.00 0.00 N ATOM 1324 CA LEU A 86 -5.988 25.003 -1.495 1.00 0.00 C ATOM 1325 C LEU A 86 -4.991 25.780 -0.586 1.00 0.00 C ATOM 1326 O LEU A 86 -5.265 26.899 -0.145 1.00 0.00 O ATOM 1327 CB LEU A 86 -7.474 25.408 -1.304 1.00 0.00 C ATOM 1328 CG LEU A 86 -8.406 25.173 -2.513 1.00 0.00 C ATOM 1329 CD1 LEU A 86 -8.675 23.702 -2.833 1.00 0.00 C ATOM 1330 CD2 LEU A 86 -9.764 25.828 -2.245 1.00 0.00 C ATOM 0 H LEU A 86 -5.750 23.119 -2.352 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.695 25.314 -2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.872 24.857 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.510 26.466 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.883 25.608 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.338 23.633 -3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.734 23.201 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.145 23.223 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.422 25.663 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.210 25.389 -1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.628 26.899 -2.094 1.00 0.00 H new ATOM 1342 N GLN A 87 -3.828 25.187 -0.293 1.00 0.00 N ATOM 1343 CA GLN A 87 -2.772 25.742 0.568 1.00 0.00 C ATOM 1344 C GLN A 87 -1.702 26.535 -0.209 1.00 0.00 C ATOM 1345 O GLN A 87 -1.483 26.324 -1.405 1.00 0.00 O ATOM 1346 CB GLN A 87 -2.113 24.588 1.351 1.00 0.00 C ATOM 1347 CG GLN A 87 -2.910 24.198 2.607 1.00 0.00 C ATOM 1348 CD GLN A 87 -2.831 25.260 3.707 1.00 0.00 C ATOM 1349 OE1 GLN A 87 -1.763 25.675 4.140 1.00 0.00 O ATOM 1350 NE2 GLN A 87 -3.945 25.766 4.196 1.00 0.00 N ATOM 0 H GLN A 87 -3.585 24.269 -0.664 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.242 26.454 1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.019 23.719 0.700 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -1.104 24.880 1.641 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.953 24.038 2.336 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.532 23.251 2.993 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.848 25.438 3.853 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.905 26.486 4.918 1.00 0.00 H new ATOM 1359 N LYS A 88 -0.999 27.422 0.508 1.00 0.00 N ATOM 1360 CA LYS A 88 0.219 28.133 0.075 1.00 0.00 C ATOM 1361 C LYS A 88 1.481 27.262 0.228 1.00 0.00 C ATOM 1362 O LYS A 88 1.412 26.117 0.674 1.00 0.00 O ATOM 1363 CB LYS A 88 0.319 29.456 0.869 1.00 0.00 C ATOM 1364 CG LYS A 88 -0.640 30.545 0.348 1.00 0.00 C ATOM 1365 CD LYS A 88 -0.149 31.244 -0.934 1.00 0.00 C ATOM 1366 CE LYS A 88 1.048 32.166 -0.656 1.00 0.00 C ATOM 1367 NZ LYS A 88 1.571 32.784 -1.903 1.00 0.00 N ATOM 0 H LYS A 88 -1.276 27.679 1.455 1.00 0.00 H new ATOM 0 HA LYS A 88 0.151 28.358 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 88 0.102 29.260 1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.343 29.827 0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.614 30.096 0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.782 31.294 1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.134 30.493 -1.672 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.963 31.825 -1.366 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.749 32.950 0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.841 31.596 -0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.378 33.399 -1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.880 32.037 -2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.822 33.349 -2.351 1.00 0.00 H new ATOM 1381 N GLU A 89 2.637 27.795 -0.187 1.00 0.00 N ATOM 1382 CA GLU A 89 3.942 27.107 -0.283 1.00 0.00 C ATOM 1383 C GLU A 89 3.926 25.827 -1.158 1.00 0.00 C ATOM 1384 O GLU A 89 4.788 24.956 -1.021 1.00 0.00 O ATOM 1385 CB GLU A 89 4.571 26.874 1.111 1.00 0.00 C ATOM 1386 CG GLU A 89 4.951 28.149 1.882 1.00 0.00 C ATOM 1387 CD GLU A 89 3.757 28.882 2.525 1.00 0.00 C ATOM 1388 OE1 GLU A 89 3.036 28.278 3.357 1.00 0.00 O ATOM 1389 OE2 GLU A 89 3.562 30.087 2.236 1.00 0.00 O ATOM 0 H GLU A 89 2.696 28.770 -0.482 1.00 0.00 H new ATOM 0 HA GLU A 89 4.595 27.793 -0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.870 26.299 1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.465 26.262 0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.665 27.888 2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.459 28.833 1.202 1.00 0.00 H new ATOM 1396 N ILE A 90 2.956 25.696 -2.074 1.00 0.00 N ATOM 1397 CA ILE A 90 2.822 24.564 -3.015 1.00 0.00 C ATOM 1398 C ILE A 90 3.513 24.817 -4.373 1.00 0.00 C ATOM 1399 O ILE A 90 3.819 23.879 -5.109 1.00 0.00 O ATOM 1400 CB ILE A 90 1.324 24.200 -3.157 1.00 0.00 C ATOM 1401 CG1 ILE A 90 1.150 22.763 -3.693 1.00 0.00 C ATOM 1402 CG2 ILE A 90 0.550 25.230 -4.002 1.00 0.00 C ATOM 1403 CD1 ILE A 90 -0.284 22.231 -3.575 1.00 0.00 C ATOM 0 H ILE A 90 2.219 26.392 -2.188 1.00 0.00 H new ATOM 0 HA ILE A 90 3.353 23.706 -2.602 1.00 0.00 H new ATOM 0 HB ILE A 90 0.886 24.234 -2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.453 22.736 -4.740 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.821 22.098 -3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.496 24.931 -4.072 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.616 26.211 -3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.982 25.278 -5.002 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.330 21.217 -3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.585 22.225 -2.527 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.958 22.873 -4.142 1.00 0.00 H new ATOM 1415 N SER A 91 3.810 26.079 -4.698 1.00 0.00 N ATOM 1416 CA SER A 91 4.446 26.558 -5.940 1.00 0.00 C ATOM 1417 C SER A 91 5.985 26.430 -5.955 1.00 0.00 C ATOM 1418 O SER A 91 6.672 27.180 -6.653 1.00 0.00 O ATOM 1419 CB SER A 91 3.996 28.006 -6.195 1.00 0.00 C ATOM 1420 OG SER A 91 4.286 28.846 -5.083 1.00 0.00 O ATOM 0 H SER A 91 3.601 26.848 -4.061 1.00 0.00 H new ATOM 0 HA SER A 91 4.114 25.909 -6.750 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.495 28.392 -7.084 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.925 28.025 -6.397 1.00 0.00 H new ATOM 0 HG SER A 91 3.989 29.760 -5.277 1.00 0.00 H new ATOM 1426 N THR A 92 6.552 25.499 -5.177 1.00 0.00 N ATOM 1427 CA THR A 92 8.008 25.300 -4.995 1.00 0.00 C ATOM 1428 C THR A 92 8.782 25.003 -6.283 1.00 0.00 C ATOM 1429 O THR A 92 9.981 25.271 -6.343 1.00 0.00 O ATOM 1430 CB THR A 92 8.311 24.191 -3.975 1.00 0.00 C ATOM 1431 OG1 THR A 92 7.578 23.023 -4.277 1.00 0.00 O ATOM 1432 CG2 THR A 92 7.927 24.620 -2.563 1.00 0.00 C ATOM 0 H THR A 92 5.996 24.837 -4.635 1.00 0.00 H new ATOM 0 HA THR A 92 8.355 26.265 -4.624 1.00 0.00 H new ATOM 0 HB THR A 92 9.382 23.997 -4.029 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.785 22.327 -3.618 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.153 23.815 -1.864 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.492 25.510 -2.287 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.861 24.842 -2.528 1.00 0.00 H new ATOM 1440 N GLU A 93 8.098 24.564 -7.342 1.00 0.00 N ATOM 1441 CA GLU A 93 8.611 24.467 -8.716 1.00 0.00 C ATOM 1442 C GLU A 93 9.350 25.747 -9.163 1.00 0.00 C ATOM 1443 O GLU A 93 10.405 25.672 -9.795 1.00 0.00 O ATOM 1444 CB GLU A 93 7.413 24.170 -9.641 1.00 0.00 C ATOM 1445 CG GLU A 93 7.754 23.900 -11.118 1.00 0.00 C ATOM 1446 CD GLU A 93 8.289 22.479 -11.408 1.00 0.00 C ATOM 1447 OE1 GLU A 93 8.746 21.768 -10.481 1.00 0.00 O ATOM 1448 OE2 GLU A 93 8.231 22.059 -12.590 1.00 0.00 O ATOM 0 H GLU A 93 7.130 24.252 -7.265 1.00 0.00 H new ATOM 0 HA GLU A 93 9.349 23.666 -8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.881 23.304 -9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.726 25.015 -9.596 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.860 24.067 -11.719 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.498 24.627 -11.444 1.00 0.00 H new ATOM 1455 N GLU A 94 8.831 26.928 -8.805 1.00 0.00 N ATOM 1456 CA GLU A 94 9.432 28.230 -9.119 1.00 0.00 C ATOM 1457 C GLU A 94 10.747 28.473 -8.352 1.00 0.00 C ATOM 1458 O GLU A 94 11.771 28.782 -8.964 1.00 0.00 O ATOM 1459 CB GLU A 94 8.403 29.344 -8.842 1.00 0.00 C ATOM 1460 CG GLU A 94 8.812 30.720 -9.393 1.00 0.00 C ATOM 1461 CD GLU A 94 8.797 30.754 -10.935 1.00 0.00 C ATOM 1462 OE1 GLU A 94 7.714 30.977 -11.530 1.00 0.00 O ATOM 1463 OE2 GLU A 94 9.866 30.565 -11.567 1.00 0.00 O ATOM 0 H GLU A 94 7.962 27.007 -8.277 1.00 0.00 H new ATOM 0 HA GLU A 94 9.698 28.238 -10.176 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.446 29.058 -9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.251 29.425 -7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.134 31.481 -9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.810 30.972 -9.035 1.00 0.00 H new ATOM 1470 N GLN A 95 10.752 28.332 -7.018 1.00 0.00 N ATOM 1471 CA GLN A 95 11.953 28.591 -6.207 1.00 0.00 C ATOM 1472 C GLN A 95 13.079 27.565 -6.450 1.00 0.00 C ATOM 1473 O GLN A 95 14.255 27.925 -6.395 1.00 0.00 O ATOM 1474 CB GLN A 95 11.597 28.753 -4.715 1.00 0.00 C ATOM 1475 CG GLN A 95 11.305 27.442 -3.965 1.00 0.00 C ATOM 1476 CD GLN A 95 10.888 27.640 -2.506 1.00 0.00 C ATOM 1477 OE1 GLN A 95 10.314 28.645 -2.106 1.00 0.00 O ATOM 1478 NE2 GLN A 95 11.149 26.677 -1.645 1.00 0.00 N ATOM 0 H GLN A 95 9.938 28.040 -6.477 1.00 0.00 H new ATOM 0 HA GLN A 95 12.363 29.544 -6.542 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.420 29.263 -4.215 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.724 29.401 -4.635 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.515 26.904 -4.488 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.194 26.812 -3.996 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.626 25.831 -1.956 1.00 0.00 H new ATOM 0 HE22 GLN A 95 10.874 26.778 -0.668 1.00 0.00 H new ATOM 1487 N LEU A 96 12.750 26.307 -6.772 1.00 0.00 N ATOM 1488 CA LEU A 96 13.733 25.269 -7.116 1.00 0.00 C ATOM 1489 C LEU A 96 14.396 25.494 -8.488 1.00 0.00 C ATOM 1490 O LEU A 96 15.569 25.152 -8.662 1.00 0.00 O ATOM 1491 CB LEU A 96 13.067 23.880 -7.054 1.00 0.00 C ATOM 1492 CG LEU A 96 13.171 23.130 -5.709 1.00 0.00 C ATOM 1493 CD1 LEU A 96 14.602 22.654 -5.443 1.00 0.00 C ATOM 1494 CD2 LEU A 96 12.711 23.942 -4.498 1.00 0.00 C ATOM 0 H LEU A 96 11.785 25.977 -6.802 1.00 0.00 H new ATOM 0 HA LEU A 96 14.534 25.328 -6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.011 23.996 -7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.509 23.254 -7.830 1.00 0.00 H new ATOM 0 HG LEU A 96 12.493 22.284 -5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.640 22.130 -4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.915 21.979 -6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 96 15.271 23.514 -5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 96 12.817 23.341 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.321 24.841 -4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.666 24.224 -4.625 1.00 0.00 H new ATOM 1506 N ARG A 97 13.697 26.121 -9.447 1.00 0.00 N ATOM 1507 CA ARG A 97 14.251 26.507 -10.761 1.00 0.00 C ATOM 1508 C ARG A 97 15.429 27.486 -10.645 1.00 0.00 C ATOM 1509 O ARG A 97 16.333 27.455 -11.476 1.00 0.00 O ATOM 1510 CB ARG A 97 13.114 27.072 -11.634 1.00 0.00 C ATOM 1511 CG ARG A 97 13.508 27.283 -13.103 1.00 0.00 C ATOM 1512 CD ARG A 97 12.312 27.824 -13.894 1.00 0.00 C ATOM 1513 NE ARG A 97 12.663 28.072 -15.306 1.00 0.00 N ATOM 1514 CZ ARG A 97 11.957 28.756 -16.189 1.00 0.00 C ATOM 1515 NH1 ARG A 97 10.817 29.309 -15.888 1.00 0.00 N ATOM 1516 NH2 ARG A 97 12.392 28.902 -17.409 1.00 0.00 N ATOM 0 H ARG A 97 12.717 26.379 -9.333 1.00 0.00 H new ATOM 0 HA ARG A 97 14.665 25.618 -11.238 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.263 26.393 -11.590 1.00 0.00 H new ATOM 0 HB3 ARG A 97 12.785 28.023 -11.215 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.343 27.981 -13.168 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.845 26.341 -13.536 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.489 27.112 -13.843 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.962 28.750 -13.437 1.00 0.00 H new ATOM 0 HE ARG A 97 13.543 27.674 -15.635 1.00 0.00 H new ATOM 0 HH11 ARG A 97 10.441 29.221 -14.944 1.00 0.00 H new ATOM 0 HH12 ARG A 97 10.300 29.830 -16.596 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.282 28.487 -17.686 1.00 0.00 H new ATOM 0 HH22 ARG A 97 11.843 29.431 -18.086 1.00 0.00 H new ATOM 1530 N ARG A 98 15.460 28.314 -9.590 1.00 0.00 N ATOM 1531 CA ARG A 98 16.589 29.202 -9.249 1.00 0.00 C ATOM 1532 C ARG A 98 17.866 28.425 -8.889 1.00 0.00 C ATOM 1533 O ARG A 98 18.959 28.855 -9.255 1.00 0.00 O ATOM 1534 CB ARG A 98 16.158 30.152 -8.116 1.00 0.00 C ATOM 1535 CG ARG A 98 17.187 31.260 -7.839 1.00 0.00 C ATOM 1536 CD ARG A 98 16.703 32.184 -6.714 1.00 0.00 C ATOM 1537 NE ARG A 98 17.746 33.160 -6.334 1.00 0.00 N ATOM 1538 CZ ARG A 98 18.767 32.972 -5.515 1.00 0.00 C ATOM 1539 NH1 ARG A 98 18.968 31.841 -4.898 1.00 0.00 N ATOM 1540 NH2 ARG A 98 19.623 33.930 -5.296 1.00 0.00 N ATOM 0 H ARG A 98 14.684 28.389 -8.933 1.00 0.00 H new ATOM 0 HA ARG A 98 16.845 29.788 -10.132 1.00 0.00 H new ATOM 0 HB2 ARG A 98 15.202 30.608 -8.375 1.00 0.00 H new ATOM 0 HB3 ARG A 98 16.000 29.574 -7.205 1.00 0.00 H new ATOM 0 HG2 ARG A 98 18.143 30.814 -7.564 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.356 31.841 -8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 98 15.806 32.714 -7.036 1.00 0.00 H new ATOM 0 HD3 ARG A 98 16.426 31.588 -5.845 1.00 0.00 H new ATOM 0 HE ARG A 98 17.669 34.087 -6.753 1.00 0.00 H new ATOM 0 HH11 ARG A 98 18.325 31.062 -5.040 1.00 0.00 H new ATOM 0 HH12 ARG A 98 19.768 31.736 -4.274 1.00 0.00 H new ATOM 0 HH21 ARG A 98 19.508 34.832 -5.758 1.00 0.00 H new ATOM 0 HH22 ARG A 98 20.408 33.778 -4.663 1.00 0.00 H new ATOM 1554 N LEU A 99 17.737 27.288 -8.193 1.00 0.00 N ATOM 1555 CA LEU A 99 18.854 26.398 -7.846 1.00 0.00 C ATOM 1556 C LEU A 99 19.349 25.628 -9.083 1.00 0.00 C ATOM 1557 O LEU A 99 20.502 25.787 -9.490 1.00 0.00 O ATOM 1558 CB LEU A 99 18.471 25.411 -6.720 1.00 0.00 C ATOM 1559 CG LEU A 99 18.441 26.006 -5.299 1.00 0.00 C ATOM 1560 CD1 LEU A 99 17.188 26.836 -5.014 1.00 0.00 C ATOM 1561 CD2 LEU A 99 18.482 24.872 -4.272 1.00 0.00 C ATOM 0 H LEU A 99 16.837 26.954 -7.849 1.00 0.00 H new ATOM 0 HA LEU A 99 19.664 27.028 -7.478 1.00 0.00 H new ATOM 0 HB2 LEU A 99 17.488 24.997 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 99 19.177 24.581 -6.733 1.00 0.00 H new ATOM 0 HG LEU A 99 19.308 26.662 -5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 99 17.233 27.224 -3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 99 17.134 27.667 -5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 99 16.303 26.209 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 99 18.461 25.291 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 99 17.618 24.222 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 99 19.396 24.294 -4.405 1.00 0.00 H new ATOM 1573 N GLN A 100 18.483 24.802 -9.681 1.00 0.00 N ATOM 1574 CA GLN A 100 18.794 23.963 -10.844 1.00 0.00 C ATOM 1575 C GLN A 100 18.139 24.543 -12.108 1.00 0.00 C ATOM 1576 O GLN A 100 17.065 24.113 -12.536 1.00 0.00 O ATOM 1577 CB GLN A 100 18.410 22.499 -10.548 1.00 0.00 C ATOM 1578 CG GLN A 100 18.876 21.485 -11.613 1.00 0.00 C ATOM 1579 CD GLN A 100 20.372 21.147 -11.556 1.00 0.00 C ATOM 1580 OE1 GLN A 100 21.241 21.989 -11.378 1.00 0.00 O ATOM 1581 NE2 GLN A 100 20.744 19.890 -11.702 1.00 0.00 N ATOM 0 H GLN A 100 17.520 24.696 -9.361 1.00 0.00 H new ATOM 0 HA GLN A 100 19.866 23.963 -11.040 1.00 0.00 H new ATOM 0 HB2 GLN A 100 18.833 22.214 -9.584 1.00 0.00 H new ATOM 0 HB3 GLN A 100 17.326 22.434 -10.453 1.00 0.00 H new ATOM 0 HG2 GLN A 100 18.304 20.565 -11.496 1.00 0.00 H new ATOM 0 HG3 GLN A 100 18.643 21.882 -12.601 1.00 0.00 H new ATOM 0 HE21 GLN A 100 20.043 19.165 -11.852 1.00 0.00 H new ATOM 0 HE22 GLN A 100 21.733 19.643 -11.665 1.00 0.00 H new ATOM 1590 N GLU A 101 18.784 25.556 -12.690 1.00 0.00 N ATOM 1591 CA GLU A 101 18.298 26.266 -13.880 1.00 0.00 C ATOM 1592 C GLU A 101 18.304 25.368 -15.132 1.00 0.00 C ATOM 1593 O GLU A 101 17.281 25.227 -15.802 1.00 0.00 O ATOM 1594 CB GLU A 101 19.141 27.537 -14.083 1.00 0.00 C ATOM 1595 CG GLU A 101 18.543 28.474 -15.141 1.00 0.00 C ATOM 1596 CD GLU A 101 19.390 29.752 -15.290 1.00 0.00 C ATOM 1597 OE1 GLU A 101 20.416 29.728 -16.015 1.00 0.00 O ATOM 1598 OE2 GLU A 101 19.033 30.798 -14.694 1.00 0.00 O ATOM 0 H GLU A 101 19.674 25.914 -12.343 1.00 0.00 H new ATOM 0 HA GLU A 101 17.257 26.549 -13.722 1.00 0.00 H new ATOM 0 HB2 GLU A 101 19.224 28.070 -13.136 1.00 0.00 H new ATOM 0 HB3 GLU A 101 20.151 27.256 -14.380 1.00 0.00 H new ATOM 0 HG2 GLU A 101 18.487 27.957 -16.099 1.00 0.00 H new ATOM 0 HG3 GLU A 101 17.523 28.740 -14.862 1.00 0.00 H new ATOM 1605 N GLU A 102 19.451 24.749 -15.434 1.00 0.00 N ATOM 1606 CA GLU A 102 19.700 23.856 -16.577 1.00 0.00 C ATOM 1607 C GLU A 102 20.666 22.714 -16.196 1.00 0.00 C ATOM 1608 O GLU A 102 21.421 22.825 -15.223 1.00 0.00 O ATOM 1609 CB GLU A 102 20.329 24.661 -17.738 1.00 0.00 C ATOM 1610 CG GLU A 102 19.420 25.691 -18.425 1.00 0.00 C ATOM 1611 CD GLU A 102 18.448 25.035 -19.422 1.00 0.00 C ATOM 1612 OE1 GLU A 102 17.656 24.148 -19.035 1.00 0.00 O ATOM 1613 OE2 GLU A 102 18.521 25.358 -20.631 1.00 0.00 O ATOM 0 H GLU A 102 20.282 24.863 -14.853 1.00 0.00 H new ATOM 0 HA GLU A 102 18.744 23.427 -16.879 1.00 0.00 H new ATOM 0 HB2 GLU A 102 21.208 25.181 -17.357 1.00 0.00 H new ATOM 0 HB3 GLU A 102 20.678 23.956 -18.493 1.00 0.00 H new ATOM 0 HG2 GLU A 102 18.852 26.233 -17.669 1.00 0.00 H new ATOM 0 HG3 GLU A 102 20.034 26.424 -18.948 1.00 0.00 H new ATOM 1620 N LYS A 103 20.687 21.635 -16.993 1.00 0.00 N ATOM 1621 CA LYS A 103 21.663 20.529 -16.931 1.00 0.00 C ATOM 1622 C LYS A 103 21.841 19.818 -18.284 1.00 0.00 C ATOM 1623 O LYS A 103 21.020 19.991 -19.191 1.00 0.00 O ATOM 1624 CB LYS A 103 21.300 19.530 -15.808 1.00 0.00 C ATOM 1625 CG LYS A 103 20.018 18.694 -15.982 1.00 0.00 C ATOM 1626 CD LYS A 103 18.715 19.471 -15.721 1.00 0.00 C ATOM 1627 CE LYS A 103 17.482 18.553 -15.684 1.00 0.00 C ATOM 1628 NZ LYS A 103 17.472 17.667 -14.490 1.00 0.00 N ATOM 0 H LYS A 103 19.996 21.501 -17.731 1.00 0.00 H new ATOM 0 HA LYS A 103 22.629 20.973 -16.690 1.00 0.00 H new ATOM 0 HB2 LYS A 103 22.136 18.841 -15.688 1.00 0.00 H new ATOM 0 HB3 LYS A 103 21.212 20.089 -14.877 1.00 0.00 H new ATOM 0 HG2 LYS A 103 19.993 18.296 -16.996 1.00 0.00 H new ATOM 0 HG3 LYS A 103 20.060 17.841 -15.305 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.796 20.004 -14.773 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.582 20.223 -16.499 1.00 0.00 H new ATOM 0 HE2 LYS A 103 16.578 19.162 -15.689 1.00 0.00 H new ATOM 0 HE3 LYS A 103 17.460 17.942 -16.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 16.524 17.258 -14.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 18.165 16.903 -14.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 17.720 18.220 -13.645 1.00 0.00 H new ATOM 1642 N LEU A 104 22.903 19.012 -18.403 1.00 0.00 N ATOM 1643 CA LEU A 104 23.196 18.098 -19.524 1.00 0.00 C ATOM 1644 C LEU A 104 22.350 16.810 -19.436 1.00 0.00 C ATOM 1645 O LEU A 104 21.741 16.428 -20.462 1.00 0.00 O ATOM 1646 CB LEU A 104 24.717 17.782 -19.562 1.00 0.00 C ATOM 1647 CG LEU A 104 25.670 18.819 -20.192 1.00 0.00 C ATOM 1648 CD1 LEU A 104 25.365 19.046 -21.673 1.00 0.00 C ATOM 1649 CD2 LEU A 104 25.658 20.169 -19.477 1.00 0.00 C ATOM 1650 OXT LEU A 104 22.311 16.182 -18.353 1.00 0.00 O ATOM 0 H LEU A 104 23.624 18.975 -17.682 1.00 0.00 H new ATOM 0 HA LEU A 104 22.923 18.591 -20.457 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.045 17.610 -18.537 1.00 0.00 H new ATOM 0 HB3 LEU A 104 24.847 16.843 -20.100 1.00 0.00 H new ATOM 0 HG LEU A 104 26.664 18.385 -20.081 1.00 0.00 H new ATOM 0 HD11 LEU A 104 26.058 19.783 -22.078 1.00 0.00 H new ATOM 0 HD12 LEU A 104 25.475 18.107 -22.215 1.00 0.00 H new ATOM 0 HD13 LEU A 104 24.343 19.410 -21.782 1.00 0.00 H new ATOM 0 HD21 LEU A 104 26.350 20.849 -19.973 1.00 0.00 H new ATOM 0 HD22 LEU A 104 24.652 20.588 -19.508 1.00 0.00 H new ATOM 0 HD23 LEU A 104 25.963 20.034 -18.439 1.00 0.00 H new TER 1662 LEU A 104