USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 710 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 LYS NZ :NH3+ 167:sc= 1.2 (180deg=0) USER MOD Set 1.2: B 43 GLN : amide:sc= 1.45 K(o=2.7,f=-3.9) USER MOD Set 2.1: B 40 ASN : amide:sc= 0.887 K(o=1.9,f=0.047) USER MOD Set 2.2: B 44 ASN : amide:sc= 1.03 K(o=1.9,f=0.047) USER MOD Set 3.1: B 16 ASN : amide:sc= 1.77 K(o=2.6,f=-2.2) USER MOD Set 3.2: B 18 LYS NZ :NH3+ -132:sc= 0.848 (180deg=0.688) USER MOD Set 4.1: A 27 SER OG : rot 53:sc= 0.626 USER MOD Set 4.2: B 13 SER OG : rot 130:sc= 0.45 USER MOD Set 5.1: B 6 CYS SG : rot 172:sc= 0.0674 USER MOD Set 5.2: B 9 THR OG1 : rot -55:sc= 0.739 USER MOD Set 6.1: A 43 GLN : amide:sc= 1.02 K(o=2.2,f=-7.6!) USER MOD Set 6.2: B 28 LYS NZ :NH3+ -158:sc= 1.21 (180deg=0) USER MOD Set 7.1: A 40 ASN : amide:sc= 0.694 K(o=1.5,f=-0.66) USER MOD Set 7.2: A 44 ASN : amide:sc= 0.785 K(o=1.5,f=-0.66) USER MOD Set 8.1: A 13 SER OG : rot 120:sc= 0.545 USER MOD Set 8.2: A 46 LYS NZ :NH3+ -169:sc= 1.75 (180deg=0.865) USER MOD Set 9.1: A 6 CYS SG : rot 167:sc= 0.281 USER MOD Set 9.2: A 9 THR OG1 : rot -53:sc= 0.855 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= 0.842 (180deg=0.186) USER MOD Single : A 2 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.013) USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 170:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0.592 K(o=0.59,f=-0.023) USER MOD Single : A 16 ASN : amide:sc= 0.806 K(o=0.81,f=-0.12) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.932 K(o=0.93,f=-0.12) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.349 K(o=0.35,f=-0.31) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 135:sc= 0.00706 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 3 CYS SG : rot 180:sc= 0.0635 USER MOD Single : B 4 MET CE :methyl 173:sc= 0 (180deg=-0.0453) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 GLN : amide:sc= 0.576 K(o=0.58,f=-0.03) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 SER OG : rot -160:sc= 0.181 USER MOD Single : B 33 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.18) USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 39 GLN : amide:sc= 0.896 K(o=0.9,f=-0.23) USER MOD Single : B 41 GLN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : B 46 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.857 23.833 -12.386 1.00 0.00 N ATOM 2 CA MET A 1 -6.073 22.581 -12.219 1.00 0.00 C ATOM 3 C MET A 1 -4.911 22.779 -11.240 1.00 0.00 C ATOM 4 O MET A 1 -4.477 23.908 -11.009 1.00 0.00 O ATOM 5 CB MET A 1 -5.596 21.990 -13.568 1.00 0.00 C ATOM 6 CG MET A 1 -4.482 22.763 -14.294 1.00 0.00 C ATOM 7 SD MET A 1 -4.916 24.417 -14.908 1.00 0.00 S ATOM 8 CE MET A 1 -3.339 24.879 -15.674 1.00 0.00 C ATOM 0 H1 MET A 1 -7.857 23.597 -12.548 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.772 24.413 -11.527 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.491 24.366 -13.201 1.00 0.00 H new ATOM 0 HA MET A 1 -6.748 21.842 -11.787 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.248 20.972 -13.392 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.456 21.922 -14.235 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.636 22.862 -13.614 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.144 22.163 -15.139 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.423 25.876 -16.106 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.553 24.876 -14.919 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.092 24.163 -16.458 1.00 0.00 H new ATOM 20 N ASN A 2 -4.401 21.685 -10.660 1.00 0.00 N ATOM 21 CA ASN A 2 -3.303 21.677 -9.680 1.00 0.00 C ATOM 22 C ASN A 2 -2.313 20.527 -9.962 1.00 0.00 C ATOM 23 O ASN A 2 -2.670 19.520 -10.581 1.00 0.00 O ATOM 24 CB ASN A 2 -3.889 21.561 -8.257 1.00 0.00 C ATOM 25 CG ASN A 2 -4.789 22.728 -7.876 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.992 22.718 -8.100 1.00 0.00 O ATOM 27 ND2 ASN A 2 -4.242 23.772 -7.293 1.00 0.00 N ATOM 0 H ASN A 2 -4.752 20.749 -10.866 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.748 22.611 -9.764 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.457 20.634 -8.181 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.071 21.494 -7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.820 24.570 -7.029 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.240 23.784 -7.105 1.00 0.00 H new ATOM 34 N CYS A 3 -1.071 20.665 -9.488 1.00 0.00 N ATOM 35 CA CYS A 3 -0.018 19.651 -9.626 1.00 0.00 C ATOM 36 C CYS A 3 -0.266 18.419 -8.733 1.00 0.00 C ATOM 37 O CYS A 3 -0.863 18.521 -7.657 1.00 0.00 O ATOM 38 CB CYS A 3 1.344 20.290 -9.309 1.00 0.00 C ATOM 39 SG CYS A 3 1.695 21.648 -10.469 1.00 0.00 S ATOM 0 H CYS A 3 -0.762 21.499 -8.988 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.027 19.292 -10.655 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.346 20.667 -8.286 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.130 19.537 -9.373 1.00 0.00 H new ATOM 0 HG CYS A 3 2.848 22.176 -10.183 1.00 0.00 H new ATOM 45 N MET A 4 0.242 17.252 -9.149 1.00 0.00 N ATOM 46 CA MET A 4 0.196 16.019 -8.352 1.00 0.00 C ATOM 47 C MET A 4 1.144 16.095 -7.149 1.00 0.00 C ATOM 48 O MET A 4 2.358 16.202 -7.304 1.00 0.00 O ATOM 49 CB MET A 4 0.529 14.800 -9.225 1.00 0.00 C ATOM 50 CG MET A 4 -0.707 14.340 -10.001 1.00 0.00 C ATOM 51 SD MET A 4 -0.404 12.918 -11.085 1.00 0.00 S ATOM 52 CE MET A 4 -2.077 12.696 -11.747 1.00 0.00 C ATOM 0 H MET A 4 0.699 17.136 -10.053 1.00 0.00 H new ATOM 0 HA MET A 4 -0.819 15.907 -7.970 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.329 15.052 -9.921 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.896 13.987 -8.599 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.495 14.083 -9.292 1.00 0.00 H new ATOM 0 HG3 MET A 4 -1.077 15.171 -10.602 1.00 0.00 H new ATOM 0 HE1 MET A 4 -2.085 11.856 -12.441 1.00 0.00 H new ATOM 0 HE2 MET A 4 -2.769 12.497 -10.928 1.00 0.00 H new ATOM 0 HE3 MET A 4 -2.384 13.602 -12.270 1.00 0.00 H new ATOM 62 N THR A 5 0.581 16.010 -5.945 1.00 0.00 N ATOM 63 CA THR A 5 1.289 16.014 -4.661 1.00 0.00 C ATOM 64 C THR A 5 0.599 15.102 -3.649 1.00 0.00 C ATOM 65 O THR A 5 -0.600 14.832 -3.759 1.00 0.00 O ATOM 66 CB THR A 5 1.380 17.446 -4.125 1.00 0.00 C ATOM 67 OG1 THR A 5 2.289 17.484 -3.053 1.00 0.00 O ATOM 68 CG2 THR A 5 0.046 18.030 -3.646 1.00 0.00 C ATOM 0 H THR A 5 -0.430 15.933 -5.830 1.00 0.00 H new ATOM 0 HA THR A 5 2.296 15.629 -4.819 1.00 0.00 H new ATOM 0 HB THR A 5 1.708 18.057 -4.966 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.473 18.416 -2.813 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.203 19.046 -3.283 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.663 18.046 -4.474 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.352 17.414 -2.840 1.00 0.00 H new ATOM 76 N CYS A 6 1.346 14.626 -2.656 1.00 0.00 N ATOM 77 CA CYS A 6 0.829 13.814 -1.568 1.00 0.00 C ATOM 78 C CYS A 6 -0.245 14.538 -0.743 1.00 0.00 C ATOM 79 O CYS A 6 0.031 15.569 -0.138 1.00 0.00 O ATOM 80 CB CYS A 6 2.003 13.351 -0.702 1.00 0.00 C ATOM 81 SG CYS A 6 1.397 12.172 0.530 1.00 0.00 S ATOM 0 H CYS A 6 2.349 14.800 -2.588 1.00 0.00 H new ATOM 0 HA CYS A 6 0.324 12.946 -1.990 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.769 12.886 -1.323 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.467 14.205 -0.209 1.00 0.00 H new ATOM 0 HG CYS A 6 2.405 11.566 1.083 1.00 0.00 H new ATOM 87 N GLN A 7 -1.452 13.973 -0.631 1.00 0.00 N ATOM 88 CA GLN A 7 -2.501 14.546 0.229 1.00 0.00 C ATOM 89 C GLN A 7 -2.281 14.260 1.735 1.00 0.00 C ATOM 90 O GLN A 7 -2.848 14.953 2.582 1.00 0.00 O ATOM 91 CB GLN A 7 -3.864 14.083 -0.313 1.00 0.00 C ATOM 92 CG GLN A 7 -5.100 14.627 0.430 1.00 0.00 C ATOM 93 CD GLN A 7 -5.217 16.152 0.391 1.00 0.00 C ATOM 94 OE1 GLN A 7 -5.839 16.735 -0.488 1.00 0.00 O ATOM 95 NE2 GLN A 7 -4.625 16.856 1.332 1.00 0.00 N ATOM 0 H GLN A 7 -1.729 13.123 -1.122 1.00 0.00 H new ATOM 0 HA GLN A 7 -2.462 15.634 0.184 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.936 14.375 -1.361 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.895 12.994 -0.283 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -5.998 14.191 -0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -5.062 14.301 1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -4.103 16.384 2.070 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -4.688 17.874 1.323 1.00 0.00 H new ATOM 104 N VAL A 8 -1.430 13.285 2.085 1.00 0.00 N ATOM 105 CA VAL A 8 -1.140 12.868 3.480 1.00 0.00 C ATOM 106 C VAL A 8 0.125 13.533 4.060 1.00 0.00 C ATOM 107 O VAL A 8 0.240 13.676 5.277 1.00 0.00 O ATOM 108 CB VAL A 8 -1.070 11.324 3.550 1.00 0.00 C ATOM 109 CG1 VAL A 8 -0.749 10.771 4.944 1.00 0.00 C ATOM 110 CG2 VAL A 8 -2.412 10.708 3.125 1.00 0.00 C ATOM 0 H VAL A 8 -0.907 12.746 1.395 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.957 13.217 4.112 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.257 11.053 2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.719 9.682 4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.219 11.150 5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.519 11.088 5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.347 9.621 3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.200 11.058 3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.642 11.007 2.102 1.00 0.00 H new ATOM 120 N THR A 9 1.058 13.973 3.206 1.00 0.00 N ATOM 121 CA THR A 9 2.364 14.550 3.615 1.00 0.00 C ATOM 122 C THR A 9 2.687 15.878 2.928 1.00 0.00 C ATOM 123 O THR A 9 3.308 16.755 3.531 1.00 0.00 O ATOM 124 CB THR A 9 3.529 13.572 3.381 1.00 0.00 C ATOM 125 OG1 THR A 9 3.806 13.443 2.002 1.00 0.00 O ATOM 126 CG2 THR A 9 3.251 12.167 3.917 1.00 0.00 C ATOM 0 H THR A 9 0.934 13.942 2.194 1.00 0.00 H new ATOM 0 HA THR A 9 2.256 14.740 4.683 1.00 0.00 H new ATOM 0 HB THR A 9 4.375 13.999 3.920 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.984 13.206 1.524 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.110 11.526 3.721 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.073 12.216 4.991 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.371 11.756 3.422 1.00 0.00 H new ATOM 134 N GLY A 10 2.245 16.036 1.677 1.00 0.00 N ATOM 135 CA GLY A 10 2.491 17.231 0.851 1.00 0.00 C ATOM 136 C GLY A 10 3.727 17.135 -0.053 1.00 0.00 C ATOM 137 O GLY A 10 4.115 18.127 -0.670 1.00 0.00 O ATOM 0 H GLY A 10 1.694 15.324 1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.615 17.414 0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.602 18.094 1.507 1.00 0.00 H new ATOM 141 N GLU A 11 4.361 15.961 -0.129 1.00 0.00 N ATOM 142 CA GLU A 11 5.493 15.686 -1.021 1.00 0.00 C ATOM 143 C GLU A 11 5.069 15.350 -2.457 1.00 0.00 C ATOM 144 O GLU A 11 4.098 14.640 -2.696 1.00 0.00 O ATOM 145 CB GLU A 11 6.350 14.557 -0.437 1.00 0.00 C ATOM 146 CG GLU A 11 7.231 15.057 0.708 1.00 0.00 C ATOM 147 CD GLU A 11 8.407 15.922 0.208 1.00 0.00 C ATOM 148 OE1 GLU A 11 9.430 15.359 -0.253 1.00 0.00 O ATOM 149 OE2 GLU A 11 8.317 17.171 0.271 1.00 0.00 O ATOM 0 H GLU A 11 4.096 15.157 0.440 1.00 0.00 H new ATOM 0 HA GLU A 11 6.077 16.604 -1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.703 13.757 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.977 14.132 -1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.625 15.639 1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.621 14.204 1.263 1.00 0.00 H new ATOM 156 N VAL A 12 5.853 15.823 -3.419 1.00 0.00 N ATOM 157 CA VAL A 12 5.649 15.631 -4.869 1.00 0.00 C ATOM 158 C VAL A 12 6.797 14.839 -5.504 1.00 0.00 C ATOM 159 O VAL A 12 7.972 15.141 -5.285 1.00 0.00 O ATOM 160 CB VAL A 12 5.375 16.975 -5.592 1.00 0.00 C ATOM 161 CG1 VAL A 12 6.317 18.114 -5.169 1.00 0.00 C ATOM 162 CG2 VAL A 12 5.460 16.861 -7.122 1.00 0.00 C ATOM 0 H VAL A 12 6.685 16.375 -3.212 1.00 0.00 H new ATOM 0 HA VAL A 12 4.752 15.025 -4.997 1.00 0.00 H new ATOM 0 HB VAL A 12 4.357 17.216 -5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.062 19.020 -5.719 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.210 18.296 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.347 17.834 -5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.259 17.834 -7.571 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.458 16.529 -7.407 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.723 16.139 -7.475 1.00 0.00 H new ATOM 172 N SER A 13 6.445 13.855 -6.341 1.00 0.00 N ATOM 173 CA SER A 13 7.363 13.215 -7.302 1.00 0.00 C ATOM 174 C SER A 13 6.750 13.093 -8.703 1.00 0.00 C ATOM 175 O SER A 13 5.533 12.988 -8.864 1.00 0.00 O ATOM 176 CB SER A 13 7.807 11.839 -6.790 1.00 0.00 C ATOM 177 OG SER A 13 8.801 11.278 -7.640 1.00 0.00 O ATOM 0 H SER A 13 5.500 13.472 -6.373 1.00 0.00 H new ATOM 0 HA SER A 13 8.236 13.862 -7.388 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.199 11.932 -5.777 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.947 11.171 -6.739 1.00 0.00 H new ATOM 0 HG SER A 13 9.622 11.124 -7.127 1.00 0.00 H new ATOM 183 N ASP A 14 7.600 13.056 -9.730 1.00 0.00 N ATOM 184 CA ASP A 14 7.237 12.736 -11.119 1.00 0.00 C ATOM 185 C ASP A 14 6.704 11.293 -11.266 1.00 0.00 C ATOM 186 O ASP A 14 5.852 11.011 -12.110 1.00 0.00 O ATOM 187 CB ASP A 14 8.461 12.933 -12.038 1.00 0.00 C ATOM 188 CG ASP A 14 9.358 14.119 -11.648 1.00 0.00 C ATOM 189 OD1 ASP A 14 10.179 13.955 -10.710 1.00 0.00 O ATOM 190 OD2 ASP A 14 9.248 15.202 -12.272 1.00 0.00 O ATOM 0 H ASP A 14 8.594 13.254 -9.618 1.00 0.00 H new ATOM 0 HA ASP A 14 6.436 13.415 -11.411 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.059 12.022 -12.029 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.114 13.076 -13.061 1.00 0.00 H new ATOM 195 N ASP A 15 7.180 10.392 -10.403 1.00 0.00 N ATOM 196 CA ASP A 15 6.834 8.979 -10.279 1.00 0.00 C ATOM 197 C ASP A 15 5.986 8.701 -9.020 1.00 0.00 C ATOM 198 O ASP A 15 6.186 7.716 -8.306 1.00 0.00 O ATOM 199 CB ASP A 15 8.118 8.149 -10.377 1.00 0.00 C ATOM 200 CG ASP A 15 8.841 8.368 -11.718 1.00 0.00 C ATOM 201 OD1 ASP A 15 8.496 7.670 -12.703 1.00 0.00 O ATOM 202 OD2 ASP A 15 9.745 9.231 -11.796 1.00 0.00 O ATOM 0 H ASP A 15 7.881 10.660 -9.712 1.00 0.00 H new ATOM 0 HA ASP A 15 6.186 8.676 -11.101 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.785 8.414 -9.557 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.877 7.092 -10.263 1.00 0.00 H new ATOM 207 N ASN A 16 5.076 9.629 -8.707 1.00 0.00 N ATOM 208 CA ASN A 16 4.222 9.594 -7.521 1.00 0.00 C ATOM 209 C ASN A 16 3.328 8.338 -7.405 1.00 0.00 C ATOM 210 O ASN A 16 2.927 7.706 -8.387 1.00 0.00 O ATOM 211 CB ASN A 16 3.403 10.890 -7.421 1.00 0.00 C ATOM 212 CG ASN A 16 2.515 11.135 -8.635 1.00 0.00 C ATOM 213 OD1 ASN A 16 1.480 10.515 -8.824 1.00 0.00 O ATOM 214 ND2 ASN A 16 2.894 12.051 -9.496 1.00 0.00 N ATOM 0 H ASN A 16 4.910 10.449 -9.291 1.00 0.00 H new ATOM 0 HA ASN A 16 4.894 9.524 -6.666 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.781 10.851 -6.526 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.083 11.733 -7.300 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.324 12.243 -10.320 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.758 12.570 -9.341 1.00 0.00 H new ATOM 221 N LEU A 17 3.041 7.998 -6.151 1.00 0.00 N ATOM 222 CA LEU A 17 2.353 6.804 -5.665 1.00 0.00 C ATOM 223 C LEU A 17 0.851 7.077 -5.493 1.00 0.00 C ATOM 224 O LEU A 17 0.427 8.233 -5.484 1.00 0.00 O ATOM 225 CB LEU A 17 3.061 6.351 -4.360 1.00 0.00 C ATOM 226 CG LEU A 17 4.595 6.241 -4.512 1.00 0.00 C ATOM 227 CD1 LEU A 17 5.313 5.911 -3.204 1.00 0.00 C ATOM 228 CD2 LEU A 17 4.967 5.239 -5.602 1.00 0.00 C ATOM 0 H LEU A 17 3.309 8.607 -5.378 1.00 0.00 H new ATOM 0 HA LEU A 17 2.412 5.988 -6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.830 7.059 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.662 5.384 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 17 4.940 7.231 -4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.386 5.849 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.112 6.693 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.953 4.955 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.052 5.181 -5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.571 4.257 -5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.544 5.563 -6.553 1.00 0.00 H new ATOM 240 N LYS A 18 0.017 6.033 -5.400 1.00 0.00 N ATOM 241 CA LYS A 18 -1.452 6.192 -5.345 1.00 0.00 C ATOM 242 C LYS A 18 -2.148 5.261 -4.339 1.00 0.00 C ATOM 243 O LYS A 18 -1.668 4.163 -4.053 1.00 0.00 O ATOM 244 CB LYS A 18 -2.068 6.094 -6.753 1.00 0.00 C ATOM 245 CG LYS A 18 -1.503 7.108 -7.762 1.00 0.00 C ATOM 246 CD LYS A 18 -2.249 7.056 -9.100 1.00 0.00 C ATOM 247 CE LYS A 18 -1.620 8.056 -10.081 1.00 0.00 C ATOM 248 NZ LYS A 18 -2.285 8.009 -11.410 1.00 0.00 N ATOM 0 H LYS A 18 0.331 5.063 -5.361 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.634 7.196 -4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.907 5.087 -7.138 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.146 6.237 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.573 8.113 -7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.445 6.905 -7.928 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.204 6.049 -9.514 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.302 7.292 -8.950 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.694 9.064 -9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.559 7.835 -10.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.835 8.697 -12.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.193 7.054 -11.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.292 8.244 -11.303 1.00 0.00 H new ATOM 262 N LEU A 19 -3.278 5.727 -3.799 1.00 0.00 N ATOM 263 CA LEU A 19 -4.027 5.120 -2.687 1.00 0.00 C ATOM 264 C LEU A 19 -4.732 3.804 -3.062 1.00 0.00 C ATOM 265 O LEU A 19 -5.022 3.543 -4.230 1.00 0.00 O ATOM 266 CB LEU A 19 -4.953 6.209 -2.096 1.00 0.00 C ATOM 267 CG LEU A 19 -5.513 5.961 -0.675 1.00 0.00 C ATOM 268 CD1 LEU A 19 -5.551 7.263 0.125 1.00 0.00 C ATOM 269 CD2 LEU A 19 -6.950 5.441 -0.720 1.00 0.00 C ATOM 0 H LEU A 19 -3.720 6.581 -4.140 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.337 4.791 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.404 7.150 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.796 6.341 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.854 5.227 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.948 7.067 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.542 7.668 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.190 7.984 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.310 5.278 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.586 6.173 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.980 4.501 -1.270 1.00 0.00 H new ATOM 281 N ALA A 20 -4.999 2.964 -2.063 1.00 0.00 N ATOM 282 CA ALA A 20 -5.433 1.571 -2.244 1.00 0.00 C ATOM 283 C ALA A 20 -6.937 1.412 -2.555 1.00 0.00 C ATOM 284 O ALA A 20 -7.734 2.310 -2.287 1.00 0.00 O ATOM 285 CB ALA A 20 -5.010 0.747 -1.018 1.00 0.00 C ATOM 0 H ALA A 20 -4.919 3.234 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.934 1.190 -3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.329 -0.287 -1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.926 0.781 -0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.475 1.161 -0.123 1.00 0.00 H new ATOM 291 N GLY A 21 -7.342 0.263 -3.120 1.00 0.00 N ATOM 292 CA GLY A 21 -8.751 0.003 -3.481 1.00 0.00 C ATOM 293 C GLY A 21 -9.153 -1.478 -3.521 1.00 0.00 C ATOM 294 O GLY A 21 -10.308 -1.806 -3.240 1.00 0.00 O ATOM 0 H GLY A 21 -6.711 -0.508 -3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.393 0.518 -2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.946 0.442 -4.459 1.00 0.00 H new ATOM 298 N GLY A 22 -8.200 -2.378 -3.781 1.00 0.00 N ATOM 299 CA GLY A 22 -8.309 -3.812 -3.511 1.00 0.00 C ATOM 300 C GLY A 22 -8.466 -4.696 -4.746 1.00 0.00 C ATOM 301 O GLY A 22 -9.535 -5.269 -4.967 1.00 0.00 O ATOM 0 H GLY A 22 -7.305 -2.120 -4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.421 -4.131 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.163 -3.978 -2.854 1.00 0.00 H new ATOM 305 N LYS A 23 -7.389 -4.846 -5.534 1.00 0.00 N ATOM 306 CA LYS A 23 -7.382 -5.702 -6.741 1.00 0.00 C ATOM 307 C LYS A 23 -7.285 -7.210 -6.446 1.00 0.00 C ATOM 308 O LYS A 23 -7.842 -8.017 -7.190 1.00 0.00 O ATOM 309 CB LYS A 23 -6.265 -5.277 -7.713 1.00 0.00 C ATOM 310 CG LYS A 23 -6.386 -3.829 -8.215 1.00 0.00 C ATOM 311 CD LYS A 23 -5.318 -3.545 -9.282 1.00 0.00 C ATOM 312 CE LYS A 23 -5.423 -2.100 -9.786 1.00 0.00 C ATOM 313 NZ LYS A 23 -4.409 -1.809 -10.833 1.00 0.00 N ATOM 0 H LYS A 23 -6.499 -4.381 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.354 -5.547 -7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.302 -5.399 -7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.270 -5.949 -8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.379 -3.663 -8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.270 -3.137 -7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.326 -3.718 -8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.438 -4.236 -10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.421 -1.926 -10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.291 -1.412 -8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.510 -0.824 -11.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.456 -1.951 -10.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.551 -2.449 -11.641 1.00 0.00 H new ATOM 327 N LEU A 24 -6.582 -7.583 -5.373 1.00 0.00 N ATOM 328 CA LEU A 24 -6.362 -8.963 -4.905 1.00 0.00 C ATOM 329 C LEU A 24 -6.061 -8.972 -3.397 1.00 0.00 C ATOM 330 O LEU A 24 -5.666 -7.939 -2.856 1.00 0.00 O ATOM 331 CB LEU A 24 -5.203 -9.591 -5.712 1.00 0.00 C ATOM 332 CG LEU A 24 -5.044 -11.121 -5.575 1.00 0.00 C ATOM 333 CD1 LEU A 24 -6.299 -11.897 -5.982 1.00 0.00 C ATOM 334 CD2 LEU A 24 -3.901 -11.582 -6.479 1.00 0.00 C ATOM 0 H LEU A 24 -6.125 -6.897 -4.772 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.263 -9.556 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.347 -9.352 -6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.271 -9.118 -5.402 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.849 -11.324 -4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.121 -12.966 -5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.134 -11.595 -5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.537 -11.683 -7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.780 -12.662 -6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.130 -11.326 -7.514 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.977 -11.087 -6.179 1.00 0.00 H new ATOM 346 N VAL A 25 -6.226 -10.114 -2.720 1.00 0.00 N ATOM 347 CA VAL A 25 -5.993 -10.268 -1.272 1.00 0.00 C ATOM 348 C VAL A 25 -4.545 -10.638 -0.940 1.00 0.00 C ATOM 349 O VAL A 25 -3.928 -11.516 -1.548 1.00 0.00 O ATOM 350 CB VAL A 25 -6.956 -11.295 -0.643 1.00 0.00 C ATOM 351 CG1 VAL A 25 -6.589 -11.656 0.803 1.00 0.00 C ATOM 352 CG2 VAL A 25 -8.386 -10.742 -0.619 1.00 0.00 C ATOM 0 H VAL A 25 -6.532 -10.977 -3.169 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.192 -9.289 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.878 -12.188 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.304 -12.382 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.587 -12.084 0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.615 -10.758 1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.054 -11.479 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.412 -9.825 -0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.711 -10.529 -1.637 1.00 0.00 H new ATOM 362 N LEU A 26 -4.034 -9.944 0.072 1.00 0.00 N ATOM 363 CA LEU A 26 -2.744 -10.088 0.734 1.00 0.00 C ATOM 364 C LEU A 26 -2.939 -10.134 2.262 1.00 0.00 C ATOM 365 O LEU A 26 -3.974 -9.724 2.781 1.00 0.00 O ATOM 366 CB LEU A 26 -1.794 -8.962 0.273 1.00 0.00 C ATOM 367 CG LEU A 26 -1.246 -9.173 -1.157 1.00 0.00 C ATOM 368 CD1 LEU A 26 -2.159 -8.636 -2.267 1.00 0.00 C ATOM 369 CD2 LEU A 26 0.072 -8.439 -1.346 1.00 0.00 C ATOM 0 H LEU A 26 -4.572 -9.186 0.492 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.276 -11.031 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.323 -8.010 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.958 -8.894 0.969 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.154 -10.256 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.701 -8.824 -3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.125 -9.138 -2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.301 -7.563 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.437 -8.603 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.079 -7.372 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.804 -8.815 -0.631 1.00 0.00 H new ATOM 381 N SER A 27 -1.964 -10.650 3.013 1.00 0.00 N ATOM 382 CA SER A 27 -1.928 -10.516 4.481 1.00 0.00 C ATOM 383 C SER A 27 -0.973 -9.396 4.889 1.00 0.00 C ATOM 384 O SER A 27 -0.495 -8.657 4.026 1.00 0.00 O ATOM 385 CB SER A 27 -1.563 -11.856 5.120 1.00 0.00 C ATOM 386 OG SER A 27 -1.976 -11.846 6.475 1.00 0.00 O ATOM 0 H SER A 27 -1.177 -11.172 2.628 1.00 0.00 H new ATOM 0 HA SER A 27 -2.917 -10.240 4.847 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.047 -12.673 4.585 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.488 -12.024 5.055 1.00 0.00 H new ATOM 0 HG SER A 27 -2.921 -11.593 6.527 1.00 0.00 H new ATOM 392 N LYS A 28 -0.658 -9.275 6.186 1.00 0.00 N ATOM 393 CA LYS A 28 0.250 -8.257 6.763 1.00 0.00 C ATOM 394 C LYS A 28 1.525 -8.124 5.926 1.00 0.00 C ATOM 395 O LYS A 28 1.917 -7.027 5.501 1.00 0.00 O ATOM 396 CB LYS A 28 0.572 -8.689 8.214 1.00 0.00 C ATOM 397 CG LYS A 28 1.549 -7.744 8.929 1.00 0.00 C ATOM 398 CD LYS A 28 1.951 -8.205 10.336 1.00 0.00 C ATOM 399 CE LYS A 28 0.810 -8.092 11.355 1.00 0.00 C ATOM 400 NZ LYS A 28 1.285 -8.433 12.722 1.00 0.00 N ATOM 0 H LYS A 28 -1.039 -9.903 6.893 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.227 -7.277 6.762 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.355 -8.740 8.784 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.994 -9.694 8.201 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.448 -7.641 8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.096 -6.755 8.998 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.288 -9.241 10.290 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.797 -7.609 10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.409 -7.079 11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.004 -8.759 11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.571 -8.142 13.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.438 -9.459 12.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.178 -7.936 12.913 1.00 0.00 H new ATOM 414 N GLU A 29 2.118 -9.283 5.649 1.00 0.00 N ATOM 415 CA GLU A 29 3.422 -9.370 5.001 1.00 0.00 C ATOM 416 C GLU A 29 3.318 -9.101 3.497 1.00 0.00 C ATOM 417 O GLU A 29 4.177 -8.431 2.919 1.00 0.00 O ATOM 418 CB GLU A 29 4.095 -10.715 5.300 1.00 0.00 C ATOM 419 CG GLU A 29 4.439 -10.866 6.789 1.00 0.00 C ATOM 420 CD GLU A 29 5.241 -12.155 7.053 1.00 0.00 C ATOM 421 OE1 GLU A 29 6.469 -12.177 6.794 1.00 0.00 O ATOM 422 OE2 GLU A 29 4.655 -13.152 7.541 1.00 0.00 O ATOM 0 H GLU A 29 1.706 -10.190 5.869 1.00 0.00 H new ATOM 0 HA GLU A 29 4.058 -8.589 5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.434 -11.527 4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.005 -10.805 4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.016 -10.003 7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.521 -10.880 7.376 1.00 0.00 H new ATOM 429 N GLY A 30 2.223 -9.533 2.860 1.00 0.00 N ATOM 430 CA GLY A 30 1.953 -9.177 1.481 1.00 0.00 C ATOM 431 C GLY A 30 1.716 -7.676 1.308 1.00 0.00 C ATOM 432 O GLY A 30 2.318 -7.078 0.422 1.00 0.00 O ATOM 0 H GLY A 30 1.515 -10.130 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.792 -9.485 0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.078 -9.724 1.131 1.00 0.00 H new ATOM 436 N ALA A 31 0.908 -7.034 2.159 1.00 0.00 N ATOM 437 CA ALA A 31 0.626 -5.607 2.028 1.00 0.00 C ATOM 438 C ALA A 31 1.922 -4.792 2.205 1.00 0.00 C ATOM 439 O ALA A 31 2.224 -3.896 1.403 1.00 0.00 O ATOM 440 CB ALA A 31 -0.478 -5.216 3.025 1.00 0.00 C ATOM 0 H ALA A 31 0.439 -7.484 2.945 1.00 0.00 H new ATOM 0 HA ALA A 31 0.255 -5.380 1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.692 -4.151 2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.381 -5.788 2.811 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.144 -5.431 4.040 1.00 0.00 H new ATOM 446 N GLU A 32 2.748 -5.148 3.201 1.00 0.00 N ATOM 447 CA GLU A 32 4.046 -4.456 3.309 1.00 0.00 C ATOM 448 C GLU A 32 4.992 -4.778 2.129 1.00 0.00 C ATOM 449 O GLU A 32 5.786 -3.925 1.716 1.00 0.00 O ATOM 450 CB GLU A 32 4.731 -4.653 4.655 1.00 0.00 C ATOM 451 CG GLU A 32 5.302 -6.049 4.862 1.00 0.00 C ATOM 452 CD GLU A 32 6.113 -6.138 6.170 1.00 0.00 C ATOM 453 OE1 GLU A 32 5.506 -6.198 7.266 1.00 0.00 O ATOM 454 OE2 GLU A 32 7.367 -6.146 6.109 1.00 0.00 O ATOM 0 H GLU A 32 2.561 -5.864 3.903 1.00 0.00 H new ATOM 0 HA GLU A 32 3.807 -3.394 3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.536 -3.925 4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.015 -4.443 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.490 -6.776 4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.940 -6.311 4.018 1.00 0.00 H new ATOM 461 N GLN A 33 4.894 -5.978 1.533 1.00 0.00 N ATOM 462 CA GLN A 33 5.650 -6.281 0.318 1.00 0.00 C ATOM 463 C GLN A 33 5.198 -5.396 -0.851 1.00 0.00 C ATOM 464 O GLN A 33 6.047 -4.921 -1.602 1.00 0.00 O ATOM 465 CB GLN A 33 5.609 -7.780 -0.031 1.00 0.00 C ATOM 466 CG GLN A 33 6.520 -8.141 -1.221 1.00 0.00 C ATOM 467 CD GLN A 33 8.003 -7.836 -0.981 1.00 0.00 C ATOM 468 OE1 GLN A 33 8.552 -8.063 0.089 1.00 0.00 O ATOM 469 NE2 GLN A 33 8.723 -7.328 -1.958 1.00 0.00 N ATOM 0 H GLN A 33 4.306 -6.740 1.871 1.00 0.00 H new ATOM 0 HA GLN A 33 6.696 -6.044 0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.911 -8.360 0.841 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.583 -8.066 -0.264 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.408 -9.202 -1.443 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.184 -7.594 -2.102 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.291 -7.129 -2.860 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.714 -7.133 -1.813 1.00 0.00 H new ATOM 478 N ILE A 34 3.903 -5.068 -0.955 1.00 0.00 N ATOM 479 CA ILE A 34 3.443 -4.039 -1.900 1.00 0.00 C ATOM 480 C ILE A 34 4.084 -2.700 -1.557 1.00 0.00 C ATOM 481 O ILE A 34 4.525 -2.025 -2.477 1.00 0.00 O ATOM 482 CB ILE A 34 1.916 -3.876 -1.985 1.00 0.00 C ATOM 483 CG1 ILE A 34 1.242 -5.208 -2.346 1.00 0.00 C ATOM 484 CG2 ILE A 34 1.619 -2.818 -3.071 1.00 0.00 C ATOM 485 CD1 ILE A 34 -0.278 -5.143 -2.152 1.00 0.00 C ATOM 0 H ILE A 34 3.160 -5.496 -0.402 1.00 0.00 H new ATOM 0 HA ILE A 34 3.757 -4.385 -2.885 1.00 0.00 H new ATOM 0 HB ILE A 34 1.520 -3.561 -1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.467 -5.461 -3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.655 -6.005 -1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.542 -2.678 -3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.087 -1.873 -2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.019 -3.156 -4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.720 -6.103 -2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.502 -4.916 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.693 -4.364 -2.791 1.00 0.00 H new ATOM 497 N ILE A 35 4.207 -2.312 -0.279 1.00 0.00 N ATOM 498 CA ILE A 35 4.967 -1.081 0.037 1.00 0.00 C ATOM 499 C ILE A 35 6.391 -1.101 -0.506 1.00 0.00 C ATOM 500 O ILE A 35 6.863 -0.089 -1.021 1.00 0.00 O ATOM 501 CB ILE A 35 4.956 -0.711 1.538 1.00 0.00 C ATOM 502 CG1 ILE A 35 4.235 0.640 1.696 1.00 0.00 C ATOM 503 CG2 ILE A 35 6.318 -0.619 2.259 1.00 0.00 C ATOM 504 CD1 ILE A 35 4.855 1.844 0.988 1.00 0.00 C ATOM 0 H ILE A 35 3.812 -2.802 0.524 1.00 0.00 H new ATOM 0 HA ILE A 35 4.427 -0.292 -0.486 1.00 0.00 H new ATOM 0 HB ILE A 35 4.451 -1.548 2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.213 0.523 1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.172 0.868 2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.159 -0.352 3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.825 -1.582 2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.933 0.142 1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.250 2.730 1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.866 2.006 1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.892 1.656 -0.085 1.00 0.00 H new ATOM 516 N SER A 36 7.046 -2.258 -0.445 1.00 0.00 N ATOM 517 CA SER A 36 8.374 -2.433 -1.030 1.00 0.00 C ATOM 518 C SER A 36 8.320 -2.228 -2.547 1.00 0.00 C ATOM 519 O SER A 36 9.116 -1.451 -3.071 1.00 0.00 O ATOM 520 CB SER A 36 8.963 -3.796 -0.655 1.00 0.00 C ATOM 521 OG SER A 36 10.354 -3.816 -0.930 1.00 0.00 O ATOM 0 H SER A 36 6.676 -3.094 0.007 1.00 0.00 H new ATOM 0 HA SER A 36 9.040 -1.675 -0.619 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.790 -3.998 0.402 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.462 -4.585 -1.216 1.00 0.00 H new ATOM 0 HG SER A 36 10.723 -4.690 -0.686 1.00 0.00 H new ATOM 527 N GLU A 37 7.328 -2.798 -3.250 1.00 0.00 N ATOM 528 CA GLU A 37 7.145 -2.551 -4.691 1.00 0.00 C ATOM 529 C GLU A 37 6.842 -1.070 -4.994 1.00 0.00 C ATOM 530 O GLU A 37 7.467 -0.470 -5.868 1.00 0.00 O ATOM 531 CB GLU A 37 6.029 -3.425 -5.299 1.00 0.00 C ATOM 532 CG GLU A 37 6.118 -4.942 -5.068 1.00 0.00 C ATOM 533 CD GLU A 37 7.508 -5.552 -5.334 1.00 0.00 C ATOM 534 OE1 GLU A 37 8.133 -5.232 -6.373 1.00 0.00 O ATOM 535 OE2 GLU A 37 7.962 -6.392 -4.517 1.00 0.00 O ATOM 0 H GLU A 37 6.640 -3.433 -2.845 1.00 0.00 H new ATOM 0 HA GLU A 37 8.095 -2.821 -5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.075 -3.079 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.010 -3.248 -6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.833 -5.157 -4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.390 -5.437 -5.710 1.00 0.00 H new ATOM 542 N ILE A 38 5.920 -0.450 -4.252 1.00 0.00 N ATOM 543 CA ILE A 38 5.472 0.935 -4.456 1.00 0.00 C ATOM 544 C ILE A 38 6.630 1.930 -4.256 1.00 0.00 C ATOM 545 O ILE A 38 7.018 2.672 -5.174 1.00 0.00 O ATOM 546 CB ILE A 38 4.240 1.161 -3.538 1.00 0.00 C ATOM 547 CG1 ILE A 38 2.992 0.552 -4.222 1.00 0.00 C ATOM 548 CG2 ILE A 38 3.999 2.612 -3.167 1.00 0.00 C ATOM 549 CD1 ILE A 38 1.669 0.719 -3.456 1.00 0.00 C ATOM 0 H ILE A 38 5.450 -0.908 -3.471 1.00 0.00 H new ATOM 0 HA ILE A 38 5.157 1.115 -5.484 1.00 0.00 H new ATOM 0 HB ILE A 38 4.446 0.660 -2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.881 1.006 -5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.169 -0.512 -4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.121 2.682 -2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.868 3.001 -2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.834 3.196 -4.072 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.860 0.257 -4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.750 0.238 -2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.458 1.780 -3.321 1.00 0.00 H new ATOM 561 N GLN A 39 7.268 1.881 -3.086 1.00 0.00 N ATOM 562 CA GLN A 39 8.419 2.729 -2.795 1.00 0.00 C ATOM 563 C GLN A 39 9.583 2.444 -3.759 1.00 0.00 C ATOM 564 O GLN A 39 10.276 3.375 -4.166 1.00 0.00 O ATOM 565 CB GLN A 39 8.859 2.552 -1.342 1.00 0.00 C ATOM 566 CG GLN A 39 7.948 3.239 -0.302 1.00 0.00 C ATOM 567 CD GLN A 39 8.654 3.483 1.032 1.00 0.00 C ATOM 568 OE1 GLN A 39 9.567 2.780 1.449 1.00 0.00 O ATOM 569 NE2 GLN A 39 8.241 4.500 1.752 1.00 0.00 N ATOM 0 H GLN A 39 7.003 1.259 -2.322 1.00 0.00 H new ATOM 0 HA GLN A 39 8.118 3.766 -2.941 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.903 1.486 -1.118 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.871 2.943 -1.233 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.599 4.191 -0.703 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.066 2.621 -0.134 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.482 5.090 1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.679 4.700 2.651 1.00 0.00 H new ATOM 578 N ASN A 40 9.752 1.195 -4.210 1.00 0.00 N ATOM 579 CA ASN A 40 10.695 0.859 -5.286 1.00 0.00 C ATOM 580 C ASN A 40 10.338 1.525 -6.633 1.00 0.00 C ATOM 581 O ASN A 40 11.253 1.987 -7.315 1.00 0.00 O ATOM 582 CB ASN A 40 10.822 -0.670 -5.404 1.00 0.00 C ATOM 583 CG ASN A 40 11.692 -1.124 -6.562 1.00 0.00 C ATOM 584 OD1 ASN A 40 12.910 -1.173 -6.480 1.00 0.00 O ATOM 585 ND2 ASN A 40 11.098 -1.483 -7.680 1.00 0.00 N ATOM 0 H ASN A 40 9.242 0.392 -3.842 1.00 0.00 H new ATOM 0 HA ASN A 40 11.669 1.270 -5.019 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.235 -1.064 -4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.827 -1.100 -5.518 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.654 -1.801 -8.474 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.081 -1.444 -7.753 1.00 0.00 H new ATOM 592 N GLN A 41 9.058 1.657 -7.014 1.00 0.00 N ATOM 593 CA GLN A 41 8.680 2.365 -8.242 1.00 0.00 C ATOM 594 C GLN A 41 8.976 3.863 -8.137 1.00 0.00 C ATOM 595 O GLN A 41 9.432 4.457 -9.116 1.00 0.00 O ATOM 596 CB GLN A 41 7.203 2.131 -8.598 1.00 0.00 C ATOM 597 CG GLN A 41 6.944 0.680 -9.031 1.00 0.00 C ATOM 598 CD GLN A 41 5.567 0.452 -9.660 1.00 0.00 C ATOM 599 OE1 GLN A 41 4.708 1.323 -9.737 1.00 0.00 O ATOM 600 NE2 GLN A 41 5.295 -0.745 -10.136 1.00 0.00 N ATOM 0 H GLN A 41 8.269 1.282 -6.488 1.00 0.00 H new ATOM 0 HA GLN A 41 9.289 1.954 -9.047 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.579 2.370 -7.737 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.911 2.808 -9.401 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.712 0.383 -9.745 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.047 0.029 -8.163 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.994 -1.486 -10.083 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.385 -0.932 -10.558 1.00 0.00 H new ATOM 609 N LEU A 42 8.797 4.470 -6.956 1.00 0.00 N ATOM 610 CA LEU A 42 9.209 5.877 -6.783 1.00 0.00 C ATOM 611 C LEU A 42 10.735 6.082 -6.721 1.00 0.00 C ATOM 612 O LEU A 42 11.242 7.070 -7.250 1.00 0.00 O ATOM 613 CB LEU A 42 8.486 6.471 -5.566 1.00 0.00 C ATOM 614 CG LEU A 42 8.658 8.005 -5.422 1.00 0.00 C ATOM 615 CD1 LEU A 42 7.418 8.632 -4.794 1.00 0.00 C ATOM 616 CD2 LEU A 42 9.846 8.365 -4.523 1.00 0.00 C ATOM 0 H LEU A 42 8.386 4.032 -6.132 1.00 0.00 H new ATOM 0 HA LEU A 42 8.908 6.419 -7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.423 6.239 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.857 5.987 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 42 8.824 8.387 -6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.561 9.709 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.551 8.433 -5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.254 8.203 -3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.931 9.449 -4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.691 7.944 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.762 7.958 -4.950 1.00 0.00 H new ATOM 628 N GLN A 43 11.472 5.170 -6.080 1.00 0.00 N ATOM 629 CA GLN A 43 12.876 5.380 -5.696 1.00 0.00 C ATOM 630 C GLN A 43 13.895 4.818 -6.703 1.00 0.00 C ATOM 631 O GLN A 43 14.940 5.428 -6.928 1.00 0.00 O ATOM 632 CB GLN A 43 13.086 4.808 -4.282 1.00 0.00 C ATOM 633 CG GLN A 43 14.458 5.158 -3.685 1.00 0.00 C ATOM 634 CD GLN A 43 14.538 4.792 -2.205 1.00 0.00 C ATOM 635 OE1 GLN A 43 14.315 5.617 -1.328 1.00 0.00 O ATOM 636 NE2 GLN A 43 14.834 3.556 -1.864 1.00 0.00 N ATOM 0 H GLN A 43 11.110 4.256 -5.809 1.00 0.00 H new ATOM 0 HA GLN A 43 13.067 6.453 -5.700 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.304 5.186 -3.624 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.978 3.724 -4.316 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.239 4.631 -4.233 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.647 6.225 -3.807 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.022 2.859 -2.585 1.00 0.00 H new ATOM 0 HE22 GLN A 43 14.876 3.295 -0.879 1.00 0.00 H new ATOM 645 N ASN A 44 13.608 3.664 -7.313 1.00 0.00 N ATOM 646 CA ASN A 44 14.575 2.868 -8.084 1.00 0.00 C ATOM 647 C ASN A 44 14.425 3.016 -9.617 1.00 0.00 C ATOM 648 O ASN A 44 15.131 2.354 -10.378 1.00 0.00 O ATOM 649 CB ASN A 44 14.447 1.408 -7.606 1.00 0.00 C ATOM 650 CG ASN A 44 15.681 0.543 -7.823 1.00 0.00 C ATOM 651 OD1 ASN A 44 16.768 0.986 -8.171 1.00 0.00 O ATOM 652 ND2 ASN A 44 15.552 -0.739 -7.566 1.00 0.00 N ATOM 0 H ASN A 44 12.678 3.246 -7.286 1.00 0.00 H new ATOM 0 HA ASN A 44 15.582 3.241 -7.896 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.208 1.411 -6.543 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.605 0.947 -8.121 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.356 -1.361 -7.657 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.648 -1.113 -7.276 1.00 0.00 H new ATOM 659 N LEU A 45 13.510 3.882 -10.080 1.00 0.00 N ATOM 660 CA LEU A 45 13.250 4.167 -11.502 1.00 0.00 C ATOM 661 C LEU A 45 13.710 5.580 -11.938 1.00 0.00 C ATOM 662 O LEU A 45 13.458 5.985 -13.077 1.00 0.00 O ATOM 663 CB LEU A 45 11.759 3.916 -11.817 1.00 0.00 C ATOM 664 CG LEU A 45 11.227 2.504 -11.494 1.00 0.00 C ATOM 665 CD1 LEU A 45 9.762 2.390 -11.922 1.00 0.00 C ATOM 666 CD2 LEU A 45 11.998 1.396 -12.216 1.00 0.00 C ATOM 0 H LEU A 45 12.911 4.421 -9.455 1.00 0.00 H new ATOM 0 HA LEU A 45 13.856 3.481 -12.093 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.164 4.642 -11.263 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.594 4.111 -12.877 1.00 0.00 H new ATOM 0 HG LEU A 45 11.349 2.373 -10.419 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.392 1.391 -11.691 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.168 3.130 -11.386 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.681 2.568 -12.994 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.577 0.427 -11.949 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.920 1.541 -13.293 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.047 1.430 -11.921 1.00 0.00 H new ATOM 678 N LYS A 46 14.376 6.329 -11.044 1.00 0.00 N ATOM 679 CA LYS A 46 14.816 7.727 -11.231 1.00 0.00 C ATOM 680 C LYS A 46 16.344 7.860 -11.296 1.00 0.00 C ATOM 681 O LYS A 46 17.043 7.269 -10.440 1.00 0.00 O ATOM 682 CB LYS A 46 14.209 8.636 -10.143 1.00 0.00 C ATOM 683 CG LYS A 46 12.674 8.541 -10.076 1.00 0.00 C ATOM 684 CD LYS A 46 12.038 9.618 -9.182 1.00 0.00 C ATOM 685 CE LYS A 46 11.955 10.969 -9.903 1.00 0.00 C ATOM 686 NZ LYS A 46 11.312 12.010 -9.063 1.00 0.00 N ATOM 687 OXT LYS A 46 16.839 8.558 -12.210 1.00 0.00 O ATOM 0 H LYS A 46 14.636 5.962 -10.128 1.00 0.00 H new ATOM 0 HA LYS A 46 14.443 8.059 -12.200 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.628 8.365 -9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.497 9.669 -10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.267 8.628 -11.083 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.394 7.556 -9.703 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.039 9.301 -8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.623 9.727 -8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.958 11.295 -10.179 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.392 10.852 -10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.107 12.848 -9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.425 11.638 -8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.953 12.275 -8.288 1.00 0.00 H new TER 701 LYS A 46 ATOM 702 N MET B 1 -15.924 -22.625 -2.005 1.00 0.00 N ATOM 703 CA MET B 1 -15.210 -21.321 -2.036 1.00 0.00 C ATOM 704 C MET B 1 -13.831 -21.455 -1.383 1.00 0.00 C ATOM 705 O MET B 1 -13.703 -22.086 -0.332 1.00 0.00 O ATOM 706 CB MET B 1 -16.053 -20.211 -1.371 1.00 0.00 C ATOM 707 CG MET B 1 -15.436 -18.812 -1.513 1.00 0.00 C ATOM 708 SD MET B 1 -16.433 -17.480 -0.789 1.00 0.00 S ATOM 709 CE MET B 1 -15.290 -16.092 -1.033 1.00 0.00 C ATOM 0 H1 MET B 1 -16.908 -22.475 -1.704 1.00 0.00 H new ATOM 0 H2 MET B 1 -15.914 -23.049 -2.955 1.00 0.00 H new ATOM 0 H3 MET B 1 -15.450 -23.264 -1.335 1.00 0.00 H new ATOM 0 HA MET B 1 -15.061 -21.030 -3.076 1.00 0.00 H new ATOM 0 HB2 MET B 1 -17.050 -20.207 -1.813 1.00 0.00 H new ATOM 0 HB3 MET B 1 -16.174 -20.441 -0.313 1.00 0.00 H new ATOM 0 HG2 MET B 1 -14.453 -18.812 -1.042 1.00 0.00 H new ATOM 0 HG3 MET B 1 -15.282 -18.601 -2.571 1.00 0.00 H new ATOM 0 HE1 MET B 1 -15.739 -15.178 -0.644 1.00 0.00 H new ATOM 0 HE2 MET B 1 -14.357 -16.291 -0.505 1.00 0.00 H new ATOM 0 HE3 MET B 1 -15.086 -15.971 -2.097 1.00 0.00 H new ATOM 721 N ASN B 2 -12.792 -20.868 -1.989 1.00 0.00 N ATOM 722 CA ASN B 2 -11.423 -20.848 -1.447 1.00 0.00 C ATOM 723 C ASN B 2 -11.258 -19.795 -0.329 1.00 0.00 C ATOM 724 O ASN B 2 -12.027 -18.835 -0.239 1.00 0.00 O ATOM 725 CB ASN B 2 -10.429 -20.606 -2.601 1.00 0.00 C ATOM 726 CG ASN B 2 -10.496 -21.667 -3.689 1.00 0.00 C ATOM 727 OD1 ASN B 2 -10.977 -21.432 -4.789 1.00 0.00 O ATOM 728 ND2 ASN B 2 -10.055 -22.875 -3.414 1.00 0.00 N ATOM 0 H ASN B 2 -12.877 -20.385 -2.884 1.00 0.00 H new ATOM 0 HA ASN B 2 -11.214 -21.814 -0.987 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -10.628 -19.630 -3.043 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -9.417 -20.573 -2.198 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -10.115 -23.612 -4.117 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -9.653 -23.075 -2.498 1.00 0.00 H new ATOM 735 N CYS B 3 -10.233 -19.956 0.514 1.00 0.00 N ATOM 736 CA CYS B 3 -9.891 -18.998 1.571 1.00 0.00 C ATOM 737 C CYS B 3 -9.301 -17.682 1.021 1.00 0.00 C ATOM 738 O CYS B 3 -8.702 -17.648 -0.060 1.00 0.00 O ATOM 739 CB CYS B 3 -8.946 -19.674 2.580 1.00 0.00 C ATOM 740 SG CYS B 3 -7.408 -20.235 1.781 1.00 0.00 S ATOM 0 H CYS B 3 -9.611 -20.764 0.482 1.00 0.00 H new ATOM 0 HA CYS B 3 -10.811 -18.709 2.079 1.00 0.00 H new ATOM 0 HB2 CYS B 3 -8.707 -18.975 3.381 1.00 0.00 H new ATOM 0 HB3 CYS B 3 -9.450 -20.524 3.039 1.00 0.00 H new ATOM 0 HG CYS B 3 -6.639 -20.797 2.666 1.00 0.00 H new ATOM 746 N MET B 4 -9.423 -16.596 1.794 1.00 0.00 N ATOM 747 CA MET B 4 -8.745 -15.327 1.510 1.00 0.00 C ATOM 748 C MET B 4 -7.302 -15.376 2.024 1.00 0.00 C ATOM 749 O MET B 4 -7.024 -15.133 3.197 1.00 0.00 O ATOM 750 CB MET B 4 -9.529 -14.133 2.079 1.00 0.00 C ATOM 751 CG MET B 4 -10.502 -13.570 1.035 1.00 0.00 C ATOM 752 SD MET B 4 -11.926 -14.615 0.602 1.00 0.00 S ATOM 753 CE MET B 4 -12.889 -14.534 2.137 1.00 0.00 C ATOM 0 H MET B 4 -9.997 -16.573 2.637 1.00 0.00 H new ATOM 0 HA MET B 4 -8.708 -15.182 0.430 1.00 0.00 H new ATOM 0 HB2 MET B 4 -10.081 -14.444 2.966 1.00 0.00 H new ATOM 0 HB3 MET B 4 -8.835 -13.353 2.393 1.00 0.00 H new ATOM 0 HG2 MET B 4 -10.879 -12.615 1.401 1.00 0.00 H new ATOM 0 HG3 MET B 4 -9.941 -13.363 0.123 1.00 0.00 H new ATOM 0 HE1 MET B 4 -13.852 -15.023 1.989 1.00 0.00 H new ATOM 0 HE2 MET B 4 -12.345 -15.039 2.935 1.00 0.00 H new ATOM 0 HE3 MET B 4 -13.050 -13.491 2.411 1.00 0.00 H new ATOM 763 N THR B 5 -6.386 -15.707 1.120 1.00 0.00 N ATOM 764 CA THR B 5 -4.954 -15.900 1.382 1.00 0.00 C ATOM 765 C THR B 5 -4.097 -15.008 0.486 1.00 0.00 C ATOM 766 O THR B 5 -4.494 -14.645 -0.624 1.00 0.00 O ATOM 767 CB THR B 5 -4.569 -17.380 1.241 1.00 0.00 C ATOM 768 OG1 THR B 5 -3.237 -17.567 1.659 1.00 0.00 O ATOM 769 CG2 THR B 5 -4.697 -17.918 -0.189 1.00 0.00 C ATOM 0 H THR B 5 -6.626 -15.856 0.140 1.00 0.00 H new ATOM 0 HA THR B 5 -4.758 -15.602 2.412 1.00 0.00 H new ATOM 0 HB THR B 5 -5.271 -17.931 1.866 1.00 0.00 H new ATOM 0 HG1 THR B 5 -2.996 -18.513 1.569 1.00 0.00 H new ATOM 0 HG21 THR B 5 -4.408 -18.969 -0.210 1.00 0.00 H new ATOM 0 HG22 THR B 5 -5.729 -17.819 -0.524 1.00 0.00 H new ATOM 0 HG23 THR B 5 -4.044 -17.349 -0.851 1.00 0.00 H new ATOM 777 N CYS B 6 -2.915 -14.647 0.974 1.00 0.00 N ATOM 778 CA CYS B 6 -1.955 -13.810 0.282 1.00 0.00 C ATOM 779 C CYS B 6 -1.374 -14.494 -0.960 1.00 0.00 C ATOM 780 O CYS B 6 -0.737 -15.539 -0.856 1.00 0.00 O ATOM 781 CB CYS B 6 -0.873 -13.398 1.284 1.00 0.00 C ATOM 782 SG CYS B 6 0.218 -12.188 0.496 1.00 0.00 S ATOM 0 H CYS B 6 -2.592 -14.942 1.895 1.00 0.00 H new ATOM 0 HA CYS B 6 -2.455 -12.919 -0.097 1.00 0.00 H new ATOM 0 HB2 CYS B 6 -1.328 -12.971 2.177 1.00 0.00 H new ATOM 0 HB3 CYS B 6 -0.302 -14.270 1.603 1.00 0.00 H new ATOM 0 HG CYS B 6 1.036 -11.700 1.381 1.00 0.00 H new ATOM 788 N GLN B 7 -1.506 -13.877 -2.135 1.00 0.00 N ATOM 789 CA GLN B 7 -0.887 -14.403 -3.363 1.00 0.00 C ATOM 790 C GLN B 7 0.625 -14.077 -3.472 1.00 0.00 C ATOM 791 O GLN B 7 1.335 -14.703 -4.261 1.00 0.00 O ATOM 792 CB GLN B 7 -1.740 -13.943 -4.559 1.00 0.00 C ATOM 793 CG GLN B 7 -1.298 -14.459 -5.942 1.00 0.00 C ATOM 794 CD GLN B 7 -1.305 -15.984 -6.061 1.00 0.00 C ATOM 795 OE1 GLN B 7 -2.284 -16.604 -6.457 1.00 0.00 O ATOM 796 NE2 GLN B 7 -0.221 -16.649 -5.721 1.00 0.00 N ATOM 0 H GLN B 7 -2.034 -13.014 -2.267 1.00 0.00 H new ATOM 0 HA GLN B 7 -0.888 -15.493 -3.346 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -2.770 -14.258 -4.388 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -1.739 -12.853 -4.583 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -1.957 -14.041 -6.703 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -0.294 -14.092 -6.153 1.00 0.00 H new ATOM 0 HE21 GLN B 7 0.602 -16.147 -5.389 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -0.205 -17.667 -5.789 1.00 0.00 H new ATOM 805 N VAL B 8 1.138 -13.147 -2.653 1.00 0.00 N ATOM 806 CA VAL B 8 2.555 -12.707 -2.636 1.00 0.00 C ATOM 807 C VAL B 8 3.401 -13.419 -1.558 1.00 0.00 C ATOM 808 O VAL B 8 4.621 -13.516 -1.694 1.00 0.00 O ATOM 809 CB VAL B 8 2.609 -11.168 -2.497 1.00 0.00 C ATOM 810 CG1 VAL B 8 4.027 -10.587 -2.454 1.00 0.00 C ATOM 811 CG2 VAL B 8 1.887 -10.494 -3.675 1.00 0.00 C ATOM 0 H VAL B 8 0.568 -12.661 -1.961 1.00 0.00 H new ATOM 0 HA VAL B 8 3.009 -12.997 -3.583 1.00 0.00 H new ATOM 0 HB VAL B 8 2.124 -10.963 -1.542 1.00 0.00 H new ATOM 0 HG11 VAL B 8 3.973 -9.503 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL B 8 4.565 -11.003 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL B 8 4.553 -10.842 -3.374 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.935 -9.411 -3.560 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.369 -10.781 -4.610 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.844 -10.811 -3.692 1.00 0.00 H new ATOM 821 N THR B 9 2.764 -13.955 -0.508 1.00 0.00 N ATOM 822 CA THR B 9 3.432 -14.621 0.638 1.00 0.00 C ATOM 823 C THR B 9 2.826 -15.978 0.999 1.00 0.00 C ATOM 824 O THR B 9 3.550 -16.890 1.405 1.00 0.00 O ATOM 825 CB THR B 9 3.438 -13.745 1.904 1.00 0.00 C ATOM 826 OG1 THR B 9 2.141 -13.640 2.452 1.00 0.00 O ATOM 827 CG2 THR B 9 3.934 -12.324 1.649 1.00 0.00 C ATOM 0 H THR B 9 1.748 -13.942 -0.422 1.00 0.00 H new ATOM 0 HA THR B 9 4.453 -14.779 0.291 1.00 0.00 H new ATOM 0 HB THR B 9 4.121 -14.244 2.591 1.00 0.00 H new ATOM 0 HG1 THR B 9 1.522 -13.310 1.767 1.00 0.00 H new ATOM 0 HG21 THR B 9 3.914 -11.759 2.581 1.00 0.00 H new ATOM 0 HG22 THR B 9 4.954 -12.358 1.267 1.00 0.00 H new ATOM 0 HG23 THR B 9 3.289 -11.839 0.916 1.00 0.00 H new ATOM 835 N GLY B 10 1.507 -16.124 0.836 1.00 0.00 N ATOM 836 CA GLY B 10 0.759 -17.345 1.179 1.00 0.00 C ATOM 837 C GLY B 10 0.122 -17.326 2.574 1.00 0.00 C ATOM 838 O GLY B 10 -0.424 -18.340 3.012 1.00 0.00 O ATOM 0 H GLY B 10 0.916 -15.385 0.455 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.025 -17.497 0.437 1.00 0.00 H new ATOM 0 HA3 GLY B 10 1.432 -18.200 1.112 1.00 0.00 H new ATOM 842 N GLU B 11 0.196 -16.199 3.289 1.00 0.00 N ATOM 843 CA GLU B 11 -0.423 -16.016 4.607 1.00 0.00 C ATOM 844 C GLU B 11 -1.903 -15.634 4.538 1.00 0.00 C ATOM 845 O GLU B 11 -2.344 -14.919 3.644 1.00 0.00 O ATOM 846 CB GLU B 11 0.347 -14.968 5.417 1.00 0.00 C ATOM 847 CG GLU B 11 1.692 -15.505 5.910 1.00 0.00 C ATOM 848 CD GLU B 11 1.570 -16.723 6.852 1.00 0.00 C ATOM 849 OE1 GLU B 11 0.662 -16.751 7.719 1.00 0.00 O ATOM 850 OE2 GLU B 11 2.387 -17.669 6.732 1.00 0.00 O ATOM 0 H GLU B 11 0.697 -15.373 2.962 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.372 -16.985 5.103 1.00 0.00 H new ATOM 0 HB2 GLU B 11 0.512 -14.083 4.802 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -0.254 -14.655 6.271 1.00 0.00 H new ATOM 0 HG2 GLU B 11 2.299 -15.783 5.049 1.00 0.00 H new ATOM 0 HG3 GLU B 11 2.223 -14.707 6.430 1.00 0.00 H new ATOM 857 N VAL B 12 -2.663 -16.072 5.534 1.00 0.00 N ATOM 858 CA VAL B 12 -4.109 -15.817 5.674 1.00 0.00 C ATOM 859 C VAL B 12 -4.422 -15.084 6.980 1.00 0.00 C ATOM 860 O VAL B 12 -4.128 -15.576 8.073 1.00 0.00 O ATOM 861 CB VAL B 12 -4.948 -17.105 5.477 1.00 0.00 C ATOM 862 CG1 VAL B 12 -4.379 -18.345 6.185 1.00 0.00 C ATOM 863 CG2 VAL B 12 -6.406 -16.947 5.931 1.00 0.00 C ATOM 0 H VAL B 12 -2.286 -16.634 6.297 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.408 -15.147 4.868 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.901 -17.260 4.399 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.026 -19.201 5.996 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.379 -18.555 5.804 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.327 -18.160 7.258 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.941 -17.882 5.768 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.432 -16.695 6.991 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -6.882 -16.152 5.357 1.00 0.00 H new ATOM 873 N SER B 13 -5.061 -13.918 6.860 1.00 0.00 N ATOM 874 CA SER B 13 -5.704 -13.181 7.951 1.00 0.00 C ATOM 875 C SER B 13 -7.201 -13.008 7.676 1.00 0.00 C ATOM 876 O SER B 13 -7.614 -12.759 6.540 1.00 0.00 O ATOM 877 CB SER B 13 -5.029 -11.818 8.147 1.00 0.00 C ATOM 878 OG SER B 13 -4.850 -11.153 6.907 1.00 0.00 O ATOM 0 H SER B 13 -5.148 -13.441 5.962 1.00 0.00 H new ATOM 0 HA SER B 13 -5.591 -13.756 8.870 1.00 0.00 H new ATOM 0 HB2 SER B 13 -5.635 -11.201 8.810 1.00 0.00 H new ATOM 0 HB3 SER B 13 -4.063 -11.954 8.633 1.00 0.00 H new ATOM 0 HG SER B 13 -5.194 -10.238 6.974 1.00 0.00 H new ATOM 884 N ASP B 14 -8.033 -13.101 8.717 1.00 0.00 N ATOM 885 CA ASP B 14 -9.486 -12.881 8.605 1.00 0.00 C ATOM 886 C ASP B 14 -9.820 -11.432 8.191 1.00 0.00 C ATOM 887 O ASP B 14 -10.825 -11.173 7.532 1.00 0.00 O ATOM 888 CB ASP B 14 -10.145 -13.245 9.942 1.00 0.00 C ATOM 889 CG ASP B 14 -11.680 -13.157 9.877 1.00 0.00 C ATOM 890 OD1 ASP B 14 -12.302 -13.987 9.171 1.00 0.00 O ATOM 891 OD2 ASP B 14 -12.270 -12.287 10.559 1.00 0.00 O ATOM 0 H ASP B 14 -7.724 -13.330 9.662 1.00 0.00 H new ATOM 0 HA ASP B 14 -9.881 -13.522 7.817 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -9.853 -14.256 10.226 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -9.777 -12.576 10.720 1.00 0.00 H new ATOM 896 N ASP B 15 -8.923 -10.493 8.499 1.00 0.00 N ATOM 897 CA ASP B 15 -9.009 -9.066 8.181 1.00 0.00 C ATOM 898 C ASP B 15 -8.601 -8.725 6.729 1.00 0.00 C ATOM 899 O ASP B 15 -8.838 -7.604 6.280 1.00 0.00 O ATOM 900 CB ASP B 15 -8.146 -8.293 9.189 1.00 0.00 C ATOM 901 CG ASP B 15 -8.329 -8.792 10.634 1.00 0.00 C ATOM 902 OD1 ASP B 15 -9.247 -8.300 11.333 1.00 0.00 O ATOM 903 OD2 ASP B 15 -7.581 -9.710 11.050 1.00 0.00 O ATOM 0 H ASP B 15 -8.068 -10.721 9.006 1.00 0.00 H new ATOM 0 HA ASP B 15 -10.055 -8.770 8.258 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -7.097 -8.384 8.908 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -8.398 -7.234 9.140 1.00 0.00 H new ATOM 908 N ASN B 16 -8.021 -9.696 6.006 1.00 0.00 N ATOM 909 CA ASN B 16 -7.739 -9.729 4.563 1.00 0.00 C ATOM 910 C ASN B 16 -7.418 -8.368 3.892 1.00 0.00 C ATOM 911 O ASN B 16 -8.289 -7.711 3.311 1.00 0.00 O ATOM 912 CB ASN B 16 -8.813 -10.577 3.840 1.00 0.00 C ATOM 913 CG ASN B 16 -10.234 -10.028 3.822 1.00 0.00 C ATOM 914 OD1 ASN B 16 -10.732 -9.577 2.802 1.00 0.00 O ATOM 915 ND2 ASN B 16 -10.972 -10.071 4.905 1.00 0.00 N ATOM 0 H ASN B 16 -7.709 -10.556 6.458 1.00 0.00 H new ATOM 0 HA ASN B 16 -6.777 -10.228 4.448 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -8.493 -10.720 2.808 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -8.837 -11.562 4.306 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -11.934 -9.733 4.880 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -10.584 -10.442 5.772 1.00 0.00 H new ATOM 922 N LEU B 17 -6.139 -7.968 3.933 1.00 0.00 N ATOM 923 CA LEU B 17 -5.589 -6.770 3.283 1.00 0.00 C ATOM 924 C LEU B 17 -5.623 -6.914 1.754 1.00 0.00 C ATOM 925 O LEU B 17 -5.714 -8.023 1.229 1.00 0.00 O ATOM 926 CB LEU B 17 -4.146 -6.504 3.785 1.00 0.00 C ATOM 927 CG LEU B 17 -3.997 -6.430 5.310 1.00 0.00 C ATOM 928 CD1 LEU B 17 -2.539 -6.182 5.698 1.00 0.00 C ATOM 929 CD2 LEU B 17 -4.918 -5.363 5.903 1.00 0.00 C ATOM 0 H LEU B 17 -5.429 -8.494 4.442 1.00 0.00 H new ATOM 0 HA LEU B 17 -6.209 -5.914 3.549 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -3.495 -7.293 3.409 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -3.794 -5.567 3.354 1.00 0.00 H new ATOM 0 HG LEU B 17 -4.298 -7.391 5.727 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -2.455 -6.133 6.784 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -1.919 -6.996 5.322 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -2.202 -5.240 5.265 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -4.791 -5.333 6.985 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -4.666 -4.390 5.481 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -5.954 -5.604 5.666 1.00 0.00 H new ATOM 941 N LYS B 18 -5.619 -5.798 1.016 1.00 0.00 N ATOM 942 CA LYS B 18 -5.853 -5.804 -0.443 1.00 0.00 C ATOM 943 C LYS B 18 -4.945 -4.868 -1.254 1.00 0.00 C ATOM 944 O LYS B 18 -4.462 -3.857 -0.743 1.00 0.00 O ATOM 945 CB LYS B 18 -7.340 -5.559 -0.754 1.00 0.00 C ATOM 946 CG LYS B 18 -8.286 -6.489 0.012 1.00 0.00 C ATOM 947 CD LYS B 18 -9.748 -6.305 -0.404 1.00 0.00 C ATOM 948 CE LYS B 18 -10.644 -7.267 0.383 1.00 0.00 C ATOM 949 NZ LYS B 18 -10.657 -6.975 1.840 1.00 0.00 N ATOM 0 H LYS B 18 -5.455 -4.869 1.404 1.00 0.00 H new ATOM 0 HA LYS B 18 -5.573 -6.803 -0.776 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -7.587 -4.525 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -7.505 -5.687 -1.824 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -7.990 -7.524 -0.158 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -8.189 -6.301 1.081 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -10.059 -5.276 -0.223 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -9.856 -6.488 -1.473 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -11.661 -7.209 -0.004 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -10.300 -8.289 0.224 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -10.508 -7.856 2.372 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -9.898 -6.301 2.066 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -11.575 -6.563 2.103 1.00 0.00 H new ATOM 963 N LEU B 19 -4.713 -5.231 -2.520 1.00 0.00 N ATOM 964 CA LEU B 19 -3.751 -4.595 -3.430 1.00 0.00 C ATOM 965 C LEU B 19 -4.181 -3.194 -3.906 1.00 0.00 C ATOM 966 O LEU B 19 -5.358 -2.830 -3.877 1.00 0.00 O ATOM 967 CB LEU B 19 -3.424 -5.606 -4.553 1.00 0.00 C ATOM 968 CG LEU B 19 -2.129 -5.343 -5.360 1.00 0.00 C ATOM 969 CD1 LEU B 19 -1.422 -6.661 -5.672 1.00 0.00 C ATOM 970 CD2 LEU B 19 -2.414 -4.670 -6.704 1.00 0.00 C ATOM 0 H LEU B 19 -5.210 -6.007 -2.957 1.00 0.00 H new ATOM 0 HA LEU B 19 -2.827 -4.368 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -3.354 -6.599 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -4.262 -5.626 -5.249 1.00 0.00 H new ATOM 0 HG LEU B 19 -1.512 -4.691 -4.742 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.513 -6.461 -6.240 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -1.164 -7.165 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -2.083 -7.299 -6.259 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -1.476 -4.505 -7.235 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -3.062 -5.311 -7.302 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -2.908 -3.713 -6.534 1.00 0.00 H new ATOM 982 N ALA B 20 -3.214 -2.388 -4.338 1.00 0.00 N ATOM 983 CA ALA B 20 -3.400 -0.957 -4.599 1.00 0.00 C ATOM 984 C ALA B 20 -4.211 -0.672 -5.883 1.00 0.00 C ATOM 985 O ALA B 20 -3.942 -1.255 -6.936 1.00 0.00 O ATOM 986 CB ALA B 20 -2.029 -0.270 -4.610 1.00 0.00 C ATOM 0 H ALA B 20 -2.264 -2.712 -4.520 1.00 0.00 H new ATOM 0 HA ALA B 20 -4.005 -0.538 -3.794 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -2.157 0.795 -4.803 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.545 -0.407 -3.643 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -1.409 -0.709 -5.392 1.00 0.00 H new ATOM 992 N GLY B 21 -5.205 0.226 -5.805 1.00 0.00 N ATOM 993 CA GLY B 21 -6.114 0.553 -6.918 1.00 0.00 C ATOM 994 C GLY B 21 -5.704 1.819 -7.678 1.00 0.00 C ATOM 995 O GLY B 21 -5.550 1.797 -8.900 1.00 0.00 O ATOM 0 H GLY B 21 -5.404 0.754 -4.955 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -6.145 -0.286 -7.613 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -7.124 0.681 -6.528 1.00 0.00 H new ATOM 999 N GLY B 22 -5.491 2.904 -6.930 1.00 0.00 N ATOM 1000 CA GLY B 22 -5.000 4.202 -7.398 1.00 0.00 C ATOM 1001 C GLY B 22 -6.021 5.341 -7.266 1.00 0.00 C ATOM 1002 O GLY B 22 -6.346 5.988 -8.263 1.00 0.00 O ATOM 0 H GLY B 22 -5.666 2.900 -5.925 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -4.104 4.464 -6.835 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -4.705 4.112 -8.443 1.00 0.00 H new ATOM 1006 N LYS B 23 -6.551 5.579 -6.053 1.00 0.00 N ATOM 1007 CA LYS B 23 -7.659 6.537 -5.821 1.00 0.00 C ATOM 1008 C LYS B 23 -7.234 8.013 -5.763 1.00 0.00 C ATOM 1009 O LYS B 23 -7.923 8.872 -6.314 1.00 0.00 O ATOM 1010 CB LYS B 23 -8.450 6.176 -4.549 1.00 0.00 C ATOM 1011 CG LYS B 23 -9.100 4.788 -4.600 1.00 0.00 C ATOM 1012 CD LYS B 23 -10.005 4.586 -3.373 1.00 0.00 C ATOM 1013 CE LYS B 23 -10.688 3.213 -3.359 1.00 0.00 C ATOM 1014 NZ LYS B 23 -11.753 3.094 -4.392 1.00 0.00 N ATOM 0 H LYS B 23 -6.227 5.116 -5.204 1.00 0.00 H new ATOM 0 HA LYS B 23 -8.294 6.437 -6.701 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -7.780 6.222 -3.690 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -9.226 6.925 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -9.684 4.684 -5.514 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -8.330 4.017 -4.625 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -9.411 4.701 -2.466 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -10.766 5.366 -3.356 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -9.940 2.437 -3.522 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -11.121 3.036 -2.374 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -12.183 2.148 -4.340 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -12.483 3.815 -4.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -11.339 3.235 -5.335 1.00 0.00 H new ATOM 1028 N LEU B 24 -6.120 8.304 -5.086 1.00 0.00 N ATOM 1029 CA LEU B 24 -5.564 9.651 -4.869 1.00 0.00 C ATOM 1030 C LEU B 24 -4.034 9.581 -4.760 1.00 0.00 C ATOM 1031 O LEU B 24 -3.498 8.520 -4.445 1.00 0.00 O ATOM 1032 CB LEU B 24 -6.193 10.256 -3.594 1.00 0.00 C ATOM 1033 CG LEU B 24 -6.005 11.775 -3.408 1.00 0.00 C ATOM 1034 CD1 LEU B 24 -6.573 12.597 -4.569 1.00 0.00 C ATOM 1035 CD2 LEU B 24 -6.724 12.216 -2.135 1.00 0.00 C ATOM 0 H LEU B 24 -5.552 7.576 -4.652 1.00 0.00 H new ATOM 0 HA LEU B 24 -5.804 10.294 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -7.261 10.040 -3.601 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -5.770 9.748 -2.727 1.00 0.00 H new ATOM 0 HG LEU B 24 -4.931 11.953 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -6.409 13.658 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -6.072 12.313 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -7.642 12.406 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -6.595 13.290 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -7.786 11.986 -2.219 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -6.305 11.688 -1.279 1.00 0.00 H new ATOM 1047 N VAL B 25 -3.330 10.690 -5.004 1.00 0.00 N ATOM 1048 CA VAL B 25 -1.861 10.732 -5.092 1.00 0.00 C ATOM 1049 C VAL B 25 -1.181 10.958 -3.737 1.00 0.00 C ATOM 1050 O VAL B 25 -1.570 11.812 -2.937 1.00 0.00 O ATOM 1051 CB VAL B 25 -1.401 11.787 -6.118 1.00 0.00 C ATOM 1052 CG1 VAL B 25 0.118 11.981 -6.109 1.00 0.00 C ATOM 1053 CG2 VAL B 25 -1.803 11.355 -7.533 1.00 0.00 C ATOM 0 H VAL B 25 -3.768 11.600 -5.149 1.00 0.00 H new ATOM 0 HA VAL B 25 -1.547 9.746 -5.434 1.00 0.00 H new ATOM 0 HB VAL B 25 -1.882 12.724 -5.837 1.00 0.00 H new ATOM 0 HG11 VAL B 25 0.393 12.733 -6.848 1.00 0.00 H new ATOM 0 HG12 VAL B 25 0.437 12.310 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL B 25 0.607 11.038 -6.352 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -1.474 12.107 -8.250 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -1.335 10.399 -7.768 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -2.887 11.252 -7.588 1.00 0.00 H new ATOM 1063 N LEU B 26 -0.140 10.155 -3.509 1.00 0.00 N ATOM 1064 CA LEU B 26 0.770 10.128 -2.367 1.00 0.00 C ATOM 1065 C LEU B 26 2.235 10.063 -2.839 1.00 0.00 C ATOM 1066 O LEU B 26 2.522 9.660 -3.961 1.00 0.00 O ATOM 1067 CB LEU B 26 0.389 8.984 -1.406 1.00 0.00 C ATOM 1068 CG LEU B 26 -0.858 9.312 -0.555 1.00 0.00 C ATOM 1069 CD1 LEU B 26 -2.181 8.915 -1.221 1.00 0.00 C ATOM 1070 CD2 LEU B 26 -0.835 8.569 0.771 1.00 0.00 C ATOM 0 H LEU B 26 0.110 9.437 -4.189 1.00 0.00 H new ATOM 0 HA LEU B 26 0.672 11.056 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU B 26 0.203 8.078 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU B 26 1.230 8.774 -0.745 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.812 10.394 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -3.011 9.176 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.286 9.446 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.188 7.841 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.726 8.822 1.345 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.815 7.495 0.586 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.053 8.857 1.334 1.00 0.00 H new ATOM 1082 N SER B 27 3.193 10.474 -2.006 1.00 0.00 N ATOM 1083 CA SER B 27 4.630 10.256 -2.248 1.00 0.00 C ATOM 1084 C SER B 27 5.123 9.068 -1.422 1.00 0.00 C ATOM 1085 O SER B 27 4.317 8.383 -0.793 1.00 0.00 O ATOM 1086 CB SER B 27 5.393 11.542 -1.934 1.00 0.00 C ATOM 1087 OG SER B 27 6.729 11.445 -2.398 1.00 0.00 O ATOM 0 H SER B 27 2.997 10.971 -1.137 1.00 0.00 H new ATOM 0 HA SER B 27 4.807 10.011 -3.295 1.00 0.00 H new ATOM 0 HB2 SER B 27 4.898 12.391 -2.405 1.00 0.00 H new ATOM 0 HB3 SER B 27 5.386 11.724 -0.859 1.00 0.00 H new ATOM 0 HG SER B 27 7.285 12.104 -1.933 1.00 0.00 H new ATOM 1093 N LYS B 28 6.438 8.832 -1.377 1.00 0.00 N ATOM 1094 CA LYS B 28 7.112 7.747 -0.636 1.00 0.00 C ATOM 1095 C LYS B 28 6.568 7.617 0.792 1.00 0.00 C ATOM 1096 O LYS B 28 6.185 6.529 1.248 1.00 0.00 O ATOM 1097 CB LYS B 28 8.615 8.101 -0.632 1.00 0.00 C ATOM 1098 CG LYS B 28 9.522 6.999 -0.069 1.00 0.00 C ATOM 1099 CD LYS B 28 11.000 7.406 0.044 1.00 0.00 C ATOM 1100 CE LYS B 28 11.616 7.870 -1.283 1.00 0.00 C ATOM 1101 NZ LYS B 28 13.068 8.148 -1.136 1.00 0.00 N ATOM 0 H LYS B 28 7.101 9.421 -1.881 1.00 0.00 H new ATOM 0 HA LYS B 28 6.934 6.782 -1.110 1.00 0.00 H new ATOM 0 HB2 LYS B 28 8.926 8.325 -1.652 1.00 0.00 H new ATOM 0 HB3 LYS B 28 8.761 9.009 -0.047 1.00 0.00 H new ATOM 0 HG2 LYS B 28 9.158 6.711 0.917 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.446 6.118 -0.706 1.00 0.00 H new ATOM 0 HD2 LYS B 28 11.092 8.208 0.777 1.00 0.00 H new ATOM 0 HD3 LYS B 28 11.573 6.560 0.424 1.00 0.00 H new ATOM 0 HE2 LYS B 28 11.465 7.104 -2.044 1.00 0.00 H new ATOM 0 HE3 LYS B 28 11.105 8.768 -1.629 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 13.377 8.790 -1.893 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 13.245 8.592 -0.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 13.600 7.257 -1.200 1.00 0.00 H new ATOM 1115 N GLU B 29 6.470 8.768 1.454 1.00 0.00 N ATOM 1116 CA GLU B 29 6.071 8.843 2.857 1.00 0.00 C ATOM 1117 C GLU B 29 4.551 8.705 3.017 1.00 0.00 C ATOM 1118 O GLU B 29 4.071 8.042 3.940 1.00 0.00 O ATOM 1119 CB GLU B 29 6.602 10.128 3.507 1.00 0.00 C ATOM 1120 CG GLU B 29 8.134 10.148 3.583 1.00 0.00 C ATOM 1121 CD GLU B 29 8.634 11.369 4.381 1.00 0.00 C ATOM 1122 OE1 GLU B 29 8.748 11.278 5.628 1.00 0.00 O ATOM 1123 OE2 GLU B 29 8.926 12.423 3.768 1.00 0.00 O ATOM 0 H GLU B 29 6.665 9.676 1.032 1.00 0.00 H new ATOM 0 HA GLU B 29 6.521 8.000 3.381 1.00 0.00 H new ATOM 0 HB2 GLU B 29 6.257 10.991 2.937 1.00 0.00 H new ATOM 0 HB3 GLU B 29 6.189 10.223 4.511 1.00 0.00 H new ATOM 0 HG2 GLU B 29 8.490 9.231 4.054 1.00 0.00 H new ATOM 0 HG3 GLU B 29 8.551 10.172 2.576 1.00 0.00 H new ATOM 1130 N GLY B 30 3.774 9.245 2.070 1.00 0.00 N ATOM 1131 CA GLY B 30 2.342 9.014 2.033 1.00 0.00 C ATOM 1132 C GLY B 30 2.009 7.533 1.830 1.00 0.00 C ATOM 1133 O GLY B 30 1.230 6.977 2.601 1.00 0.00 O ATOM 0 H GLY B 30 4.123 9.845 1.322 1.00 0.00 H new ATOM 0 HA2 GLY B 30 1.894 9.363 2.963 1.00 0.00 H new ATOM 0 HA3 GLY B 30 1.900 9.600 1.227 1.00 0.00 H new ATOM 1137 N ALA B 31 2.632 6.856 0.857 1.00 0.00 N ATOM 1138 CA ALA B 31 2.376 5.441 0.597 1.00 0.00 C ATOM 1139 C ALA B 31 2.734 4.598 1.826 1.00 0.00 C ATOM 1140 O ALA B 31 1.951 3.731 2.240 1.00 0.00 O ATOM 1141 CB ALA B 31 3.160 4.963 -0.639 1.00 0.00 C ATOM 0 H ALA B 31 3.323 7.274 0.234 1.00 0.00 H new ATOM 0 HA ALA B 31 1.313 5.316 0.392 1.00 0.00 H new ATOM 0 HB1 ALA B 31 2.955 3.907 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA B 31 2.854 5.542 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA B 31 4.228 5.102 -0.469 1.00 0.00 H new ATOM 1147 N GLU B 32 3.890 4.875 2.453 1.00 0.00 N ATOM 1148 CA GLU B 32 4.229 4.099 3.656 1.00 0.00 C ATOM 1149 C GLU B 32 3.251 4.380 4.820 1.00 0.00 C ATOM 1150 O GLU B 32 2.946 3.481 5.608 1.00 0.00 O ATOM 1151 CB GLU B 32 5.689 4.212 4.085 1.00 0.00 C ATOM 1152 CG GLU B 32 6.052 5.492 4.827 1.00 0.00 C ATOM 1153 CD GLU B 32 7.526 5.482 5.282 1.00 0.00 C ATOM 1154 OE1 GLU B 32 8.437 5.442 4.420 1.00 0.00 O ATOM 1155 OE2 GLU B 32 7.781 5.513 6.511 1.00 0.00 O ATOM 0 H GLU B 32 4.567 5.584 2.170 1.00 0.00 H new ATOM 0 HA GLU B 32 4.104 3.055 3.368 1.00 0.00 H new ATOM 0 HB2 GLU B 32 5.930 3.361 4.722 1.00 0.00 H new ATOM 0 HB3 GLU B 32 6.318 4.135 3.198 1.00 0.00 H new ATOM 0 HG2 GLU B 32 5.875 6.351 4.180 1.00 0.00 H new ATOM 0 HG3 GLU B 32 5.403 5.607 5.695 1.00 0.00 H new ATOM 1162 N GLN B 33 2.705 5.607 4.914 1.00 0.00 N ATOM 1163 CA GLN B 33 1.674 5.934 5.905 1.00 0.00 C ATOM 1164 C GLN B 33 0.361 5.179 5.641 1.00 0.00 C ATOM 1165 O GLN B 33 -0.270 4.690 6.583 1.00 0.00 O ATOM 1166 CB GLN B 33 1.470 7.459 5.970 1.00 0.00 C ATOM 1167 CG GLN B 33 0.654 7.920 7.189 1.00 0.00 C ATOM 1168 CD GLN B 33 1.385 7.683 8.511 1.00 0.00 C ATOM 1169 OE1 GLN B 33 1.133 6.730 9.236 1.00 0.00 O ATOM 1170 NE2 GLN B 33 2.328 8.527 8.874 1.00 0.00 N ATOM 0 H GLN B 33 2.965 6.388 4.311 1.00 0.00 H new ATOM 0 HA GLN B 33 2.019 5.598 6.883 1.00 0.00 H new ATOM 0 HB2 GLN B 33 2.445 7.947 5.990 1.00 0.00 H new ATOM 0 HB3 GLN B 33 0.967 7.789 5.061 1.00 0.00 H new ATOM 0 HG2 GLN B 33 0.427 8.981 7.089 1.00 0.00 H new ATOM 0 HG3 GLN B 33 -0.299 7.390 7.205 1.00 0.00 H new ATOM 0 HE21 GLN B 33 2.552 9.327 8.282 1.00 0.00 H new ATOM 0 HE22 GLN B 33 2.835 8.381 9.747 1.00 0.00 H new ATOM 1179 N ILE B 34 -0.010 4.974 4.371 1.00 0.00 N ATOM 1180 CA ILE B 34 -1.127 4.072 4.044 1.00 0.00 C ATOM 1181 C ILE B 34 -0.811 2.670 4.538 1.00 0.00 C ATOM 1182 O ILE B 34 -1.668 2.059 5.158 1.00 0.00 O ATOM 1183 CB ILE B 34 -1.491 4.006 2.553 1.00 0.00 C ATOM 1184 CG1 ILE B 34 -1.889 5.401 2.062 1.00 0.00 C ATOM 1185 CG2 ILE B 34 -2.665 3.009 2.399 1.00 0.00 C ATOM 1186 CD1 ILE B 34 -2.032 5.437 0.538 1.00 0.00 C ATOM 0 H ILE B 34 0.436 5.411 3.564 1.00 0.00 H new ATOM 0 HA ILE B 34 -1.997 4.493 4.549 1.00 0.00 H new ATOM 0 HB ILE B 34 -0.643 3.670 1.956 1.00 0.00 H new ATOM 0 HG12 ILE B 34 -2.831 5.696 2.524 1.00 0.00 H new ATOM 0 HG13 ILE B 34 -1.139 6.127 2.376 1.00 0.00 H new ATOM 0 HG21 ILE B 34 -2.948 2.939 1.349 1.00 0.00 H new ATOM 0 HG22 ILE B 34 -2.358 2.027 2.758 1.00 0.00 H new ATOM 0 HG23 ILE B 34 -3.517 3.358 2.982 1.00 0.00 H new ATOM 0 HD11 ILE B 34 -2.315 6.441 0.223 1.00 0.00 H new ATOM 0 HD12 ILE B 34 -1.082 5.166 0.077 1.00 0.00 H new ATOM 0 HD13 ILE B 34 -2.801 4.729 0.228 1.00 0.00 H new ATOM 1198 N ILE B 35 0.391 2.141 4.308 1.00 0.00 N ATOM 1199 CA ILE B 35 0.701 0.795 4.822 1.00 0.00 C ATOM 1200 C ILE B 35 0.669 0.701 6.342 1.00 0.00 C ATOM 1201 O ILE B 35 0.252 -0.328 6.873 1.00 0.00 O ATOM 1202 CB ILE B 35 1.972 0.222 4.186 1.00 0.00 C ATOM 1203 CG1 ILE B 35 1.581 -1.018 3.359 1.00 0.00 C ATOM 1204 CG2 ILE B 35 3.136 -0.087 5.150 1.00 0.00 C ATOM 1205 CD1 ILE B 35 1.178 -2.226 4.203 1.00 0.00 C ATOM 0 H ILE B 35 1.143 2.597 3.791 1.00 0.00 H new ATOM 0 HA ILE B 35 -0.113 0.145 4.503 1.00 0.00 H new ATOM 0 HB ILE B 35 2.383 1.011 3.557 1.00 0.00 H new ATOM 0 HG12 ILE B 35 0.754 -0.756 2.700 1.00 0.00 H new ATOM 0 HG13 ILE B 35 2.420 -1.297 2.722 1.00 0.00 H new ATOM 0 HG21 ILE B 35 3.979 -0.487 4.586 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.440 0.828 5.658 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.812 -0.821 5.888 1.00 0.00 H new ATOM 0 HD11 ILE B 35 0.917 -3.057 3.548 1.00 0.00 H new ATOM 0 HD12 ILE B 35 2.011 -2.516 4.844 1.00 0.00 H new ATOM 0 HD13 ILE B 35 0.318 -1.968 4.821 1.00 0.00 H new ATOM 1217 N SER B 36 1.013 1.781 7.038 1.00 0.00 N ATOM 1218 CA SER B 36 0.782 1.871 8.478 1.00 0.00 C ATOM 1219 C SER B 36 -0.717 1.732 8.786 1.00 0.00 C ATOM 1220 O SER B 36 -1.095 0.914 9.627 1.00 0.00 O ATOM 1221 CB SER B 36 1.350 3.178 9.042 1.00 0.00 C ATOM 1222 OG SER B 36 1.419 3.110 10.457 1.00 0.00 O ATOM 0 H SER B 36 1.452 2.606 6.629 1.00 0.00 H new ATOM 0 HA SER B 36 1.306 1.050 8.967 1.00 0.00 H new ATOM 0 HB2 SER B 36 2.343 3.360 8.630 1.00 0.00 H new ATOM 0 HB3 SER B 36 0.722 4.016 8.741 1.00 0.00 H new ATOM 0 HG SER B 36 1.785 3.949 10.807 1.00 0.00 H new ATOM 1228 N GLU B 37 -1.592 2.413 8.031 1.00 0.00 N ATOM 1229 CA GLU B 37 -3.049 2.283 8.185 1.00 0.00 C ATOM 1230 C GLU B 37 -3.551 0.880 7.803 1.00 0.00 C ATOM 1231 O GLU B 37 -4.357 0.297 8.525 1.00 0.00 O ATOM 1232 CB GLU B 37 -3.798 3.351 7.362 1.00 0.00 C ATOM 1233 CG GLU B 37 -3.567 4.799 7.817 1.00 0.00 C ATOM 1234 CD GLU B 37 -4.315 5.114 9.127 1.00 0.00 C ATOM 1235 OE1 GLU B 37 -3.773 4.847 10.227 1.00 0.00 O ATOM 1236 OE2 GLU B 37 -5.457 5.634 9.067 1.00 0.00 O ATOM 0 H GLU B 37 -1.312 3.066 7.300 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.262 2.440 9.242 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -3.497 3.261 6.318 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -4.866 3.138 7.405 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.500 4.970 7.958 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.899 5.483 7.036 1.00 0.00 H new ATOM 1243 N ILE B 38 -3.086 0.289 6.699 1.00 0.00 N ATOM 1244 CA ILE B 38 -3.508 -1.045 6.261 1.00 0.00 C ATOM 1245 C ILE B 38 -3.109 -2.111 7.303 1.00 0.00 C ATOM 1246 O ILE B 38 -3.959 -2.833 7.837 1.00 0.00 O ATOM 1247 CB ILE B 38 -2.925 -1.281 4.850 1.00 0.00 C ATOM 1248 CG1 ILE B 38 -3.654 -0.411 3.799 1.00 0.00 C ATOM 1249 CG2 ILE B 38 -3.038 -2.739 4.430 1.00 0.00 C ATOM 1250 CD1 ILE B 38 -3.108 -0.568 2.369 1.00 0.00 C ATOM 0 H ILE B 38 -2.402 0.725 6.080 1.00 0.00 H new ATOM 0 HA ILE B 38 -4.593 -1.123 6.190 1.00 0.00 H new ATOM 0 HB ILE B 38 -1.872 -1.004 4.898 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -4.714 -0.667 3.802 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -3.578 0.636 4.093 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -2.617 -2.864 3.432 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -2.491 -3.364 5.136 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -4.087 -3.035 4.421 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -3.671 0.074 1.692 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -2.056 -0.283 2.348 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -3.209 -1.606 2.053 1.00 0.00 H new ATOM 1262 N GLN B 39 -1.824 -2.169 7.661 1.00 0.00 N ATOM 1263 CA GLN B 39 -1.331 -3.112 8.667 1.00 0.00 C ATOM 1264 C GLN B 39 -2.007 -2.888 10.031 1.00 0.00 C ATOM 1265 O GLN B 39 -2.277 -3.850 10.749 1.00 0.00 O ATOM 1266 CB GLN B 39 0.196 -3.014 8.793 1.00 0.00 C ATOM 1267 CG GLN B 39 0.972 -3.716 7.659 1.00 0.00 C ATOM 1268 CD GLN B 39 2.391 -4.106 8.073 1.00 0.00 C ATOM 1269 OE1 GLN B 39 3.048 -3.473 8.890 1.00 0.00 O ATOM 1270 NE2 GLN B 39 2.910 -5.174 7.515 1.00 0.00 N ATOM 0 H GLN B 39 -1.101 -1.568 7.265 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.589 -4.118 8.335 1.00 0.00 H new ATOM 0 HB2 GLN B 39 0.480 -1.962 8.815 1.00 0.00 H new ATOM 0 HB3 GLN B 39 0.499 -3.446 9.747 1.00 0.00 H new ATOM 0 HG2 GLN B 39 0.429 -4.609 7.351 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.018 -3.056 6.793 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.370 -5.707 6.834 1.00 0.00 H new ATOM 0 HE22 GLN B 39 3.854 -5.471 7.763 1.00 0.00 H new ATOM 1279 N ASN B 40 -2.365 -1.644 10.359 1.00 0.00 N ATOM 1280 CA ASN B 40 -3.175 -1.324 11.541 1.00 0.00 C ATOM 1281 C ASN B 40 -4.622 -1.860 11.458 1.00 0.00 C ATOM 1282 O ASN B 40 -5.150 -2.316 12.473 1.00 0.00 O ATOM 1283 CB ASN B 40 -3.133 0.193 11.775 1.00 0.00 C ATOM 1284 CG ASN B 40 -3.932 0.619 12.992 1.00 0.00 C ATOM 1285 OD1 ASN B 40 -3.625 0.252 14.115 1.00 0.00 O ATOM 1286 ND2 ASN B 40 -4.982 1.389 12.816 1.00 0.00 N ATOM 0 H ASN B 40 -2.101 -0.825 9.811 1.00 0.00 H new ATOM 0 HA ASN B 40 -2.741 -1.838 12.399 1.00 0.00 H new ATOM 0 HB2 ASN B 40 -2.097 0.509 11.896 1.00 0.00 H new ATOM 0 HB3 ASN B 40 -3.521 0.704 10.894 1.00 0.00 H new ATOM 0 HD21 ASN B 40 -5.541 1.680 13.618 1.00 0.00 H new ATOM 0 HD22 ASN B 40 -5.238 1.695 11.877 1.00 0.00 H new ATOM 1293 N GLN B 41 -5.261 -1.879 10.280 1.00 0.00 N ATOM 1294 CA GLN B 41 -6.586 -2.460 10.080 1.00 0.00 C ATOM 1295 C GLN B 41 -6.558 -3.986 10.181 1.00 0.00 C ATOM 1296 O GLN B 41 -7.527 -4.576 10.663 1.00 0.00 O ATOM 1297 CB GLN B 41 -7.142 -1.986 8.732 1.00 0.00 C ATOM 1298 CG GLN B 41 -7.453 -0.489 8.812 1.00 0.00 C ATOM 1299 CD GLN B 41 -7.839 0.098 7.462 1.00 0.00 C ATOM 1300 OE1 GLN B 41 -8.994 0.128 7.059 1.00 0.00 O ATOM 1301 NE2 GLN B 41 -6.870 0.575 6.710 1.00 0.00 N ATOM 0 H GLN B 41 -4.861 -1.484 9.429 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.248 -2.118 10.875 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -6.418 -2.177 7.940 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -8.044 -2.544 8.481 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -8.265 -0.327 9.521 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -6.582 0.040 9.199 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -5.906 0.551 7.044 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -7.083 0.969 5.793 1.00 0.00 H new ATOM 1310 N LEU B 42 -5.434 -4.624 9.827 1.00 0.00 N ATOM 1311 CA LEU B 42 -5.216 -6.028 10.209 1.00 0.00 C ATOM 1312 C LEU B 42 -5.008 -6.207 11.723 1.00 0.00 C ATOM 1313 O LEU B 42 -5.587 -7.115 12.322 1.00 0.00 O ATOM 1314 CB LEU B 42 -4.089 -6.622 9.351 1.00 0.00 C ATOM 1315 CG LEU B 42 -3.867 -8.149 9.508 1.00 0.00 C ATOM 1316 CD1 LEU B 42 -3.245 -8.701 8.232 1.00 0.00 C ATOM 1317 CD2 LEU B 42 -2.885 -8.465 10.642 1.00 0.00 C ATOM 0 H LEU B 42 -4.677 -4.203 9.289 1.00 0.00 H new ATOM 0 HA LEU B 42 -6.123 -6.596 10.001 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -4.302 -6.409 8.304 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -3.159 -6.110 9.598 1.00 0.00 H new ATOM 0 HG LEU B 42 -4.838 -8.595 9.722 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -3.087 -9.774 8.339 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -3.913 -8.514 7.391 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -2.289 -8.210 8.052 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -2.755 -9.544 10.721 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -1.923 -7.998 10.431 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.278 -8.077 11.582 1.00 0.00 H new ATOM 1329 N GLN B 43 -4.190 -5.359 12.351 1.00 0.00 N ATOM 1330 CA GLN B 43 -3.649 -5.630 13.691 1.00 0.00 C ATOM 1331 C GLN B 43 -4.543 -5.189 14.869 1.00 0.00 C ATOM 1332 O GLN B 43 -4.581 -5.898 15.879 1.00 0.00 O ATOM 1333 CB GLN B 43 -2.237 -5.023 13.781 1.00 0.00 C ATOM 1334 CG GLN B 43 -1.469 -5.358 15.072 1.00 0.00 C ATOM 1335 CD GLN B 43 -1.276 -6.859 15.290 1.00 0.00 C ATOM 1336 OE1 GLN B 43 -0.328 -7.466 14.810 1.00 0.00 O ATOM 1337 NE2 GLN B 43 -2.172 -7.523 15.987 1.00 0.00 N ATOM 0 H GLN B 43 -3.884 -4.472 11.952 1.00 0.00 H new ATOM 0 HA GLN B 43 -3.611 -6.714 13.803 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -1.653 -5.369 12.928 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -2.317 -3.939 13.694 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -0.493 -4.874 15.041 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -2.005 -4.940 15.924 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -2.968 -7.032 16.394 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -2.071 -8.529 16.121 1.00 0.00 H new ATOM 1346 N ASN B 44 -5.230 -4.043 14.783 1.00 0.00 N ATOM 1347 CA ASN B 44 -5.887 -3.403 15.939 1.00 0.00 C ATOM 1348 C ASN B 44 -7.393 -3.121 15.765 1.00 0.00 C ATOM 1349 O ASN B 44 -8.087 -2.933 16.769 1.00 0.00 O ATOM 1350 CB ASN B 44 -5.130 -2.107 16.287 1.00 0.00 C ATOM 1351 CG ASN B 44 -3.673 -2.345 16.654 1.00 0.00 C ATOM 1352 OD1 ASN B 44 -3.348 -3.097 17.562 1.00 0.00 O ATOM 1353 ND2 ASN B 44 -2.746 -1.723 15.963 1.00 0.00 N ATOM 0 H ASN B 44 -5.349 -3.529 13.910 1.00 0.00 H new ATOM 0 HA ASN B 44 -5.838 -4.123 16.756 1.00 0.00 H new ATOM 0 HB2 ASN B 44 -5.177 -1.427 15.437 1.00 0.00 H new ATOM 0 HB3 ASN B 44 -5.632 -1.613 17.119 1.00 0.00 H new ATOM 0 HD21 ASN B 44 -1.761 -1.868 16.185 1.00 0.00 H new ATOM 0 HD22 ASN B 44 -3.011 -1.095 15.204 1.00 0.00 H new ATOM 1360 N LEU B 45 -7.921 -3.094 14.536 1.00 0.00 N ATOM 1361 CA LEU B 45 -9.359 -2.905 14.281 1.00 0.00 C ATOM 1362 C LEU B 45 -10.160 -4.201 14.529 1.00 0.00 C ATOM 1363 O LEU B 45 -9.627 -5.312 14.427 1.00 0.00 O ATOM 1364 CB LEU B 45 -9.587 -2.354 12.856 1.00 0.00 C ATOM 1365 CG LEU B 45 -9.456 -0.827 12.669 1.00 0.00 C ATOM 1366 CD1 LEU B 45 -10.601 -0.074 13.352 1.00 0.00 C ATOM 1367 CD2 LEU B 45 -8.137 -0.237 13.171 1.00 0.00 C ATOM 0 H LEU B 45 -7.365 -3.202 13.688 1.00 0.00 H new ATOM 0 HA LEU B 45 -9.733 -2.168 14.991 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.877 -2.840 12.187 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -10.585 -2.651 12.533 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.492 -0.692 11.588 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -10.474 0.998 13.199 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -11.552 -0.392 12.924 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -10.593 -0.291 14.420 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -8.131 0.839 13.000 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -8.032 -0.435 14.238 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -7.306 -0.694 12.634 1.00 0.00 H new ATOM 1379 N LYS B 46 -11.452 -4.043 14.852 1.00 0.00 N ATOM 1380 CA LYS B 46 -12.419 -5.129 15.116 1.00 0.00 C ATOM 1381 C LYS B 46 -13.850 -4.771 14.656 1.00 0.00 C ATOM 1382 O LYS B 46 -13.988 -4.131 13.590 1.00 0.00 O ATOM 1383 CB LYS B 46 -12.335 -5.537 16.604 1.00 0.00 C ATOM 1384 CG LYS B 46 -12.676 -4.389 17.578 1.00 0.00 C ATOM 1385 CD LYS B 46 -13.185 -4.866 18.949 1.00 0.00 C ATOM 1386 CE LYS B 46 -14.432 -5.770 18.903 1.00 0.00 C ATOM 1387 NZ LYS B 46 -15.530 -5.204 18.074 1.00 0.00 N ATOM 1388 OXT LYS B 46 -14.831 -5.130 15.352 1.00 0.00 O ATOM 0 H LYS B 46 -11.873 -3.118 14.941 1.00 0.00 H new ATOM 0 HA LYS B 46 -12.150 -5.997 14.514 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -13.016 -6.369 16.783 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -11.329 -5.897 16.817 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -11.788 -3.774 17.725 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -13.433 -3.751 17.122 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -12.382 -5.406 19.450 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -13.411 -3.992 19.560 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -14.152 -6.746 18.507 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -14.796 -5.930 19.918 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -16.381 -5.793 18.175 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -15.740 -4.236 18.390 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -15.238 -5.187 17.076 1.00 0.00 H new TER 1402 LYS B 46