USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 638 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 42 SER OG : rot -138:sc= 1.23 USER MOD Set 1.2: A 84 MET CE :methyl 166:sc= -0.362 (180deg=-1.19) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.407 F(o=-2.2!,f=-0.41) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -54:sc= 1.27 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -102:sc= 1.4 USER MOD Single : A 21 ASN : amide:sc= -1.35! X(o=-1.3!,f=-0.87) USER MOD Single : A 23 MET CE :methyl -171:sc= 0 (180deg=-0.117) USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= 1.08 (180deg=-0.122!) USER MOD Single : A 26 THR OG1 : rot 3:sc= 1.06 USER MOD Single : A 28 SER OG : rot 29:sc= 1.23 USER MOD Single : A 30 GLN : amide:sc= 1.23 K(o=1.2,f=-1.3) USER MOD Single : A 38 MET CE :methyl 133:sc= -0.264 (180deg=-1.29) USER MOD Single : A 40 ASN : amide:sc= 0.92 K(o=0.92,f=-0.98) USER MOD Single : A 45 SER OG : rot 180:sc= 0.78 USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0562) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.0474 F(o=-1.3!,f=-0.047) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.744 F(o=-1.3,f=-0.74) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.439 F(o=-3.8!,f=-0.44) USER MOD Single : A 70 LYS NZ :NH3+ -132:sc= -0.23 (180deg=-1.67) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 74 MET CE :methyl 132:sc= -0.207 (180deg=-0.995) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 71:sc= -0.378! USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= -0.0145 (180deg=-0.186) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 2.737 -18.667 -9.114 1.00 0.00 N ATOM 2 CA ASN A 7 3.876 -17.842 -9.456 1.00 0.00 C ATOM 3 C ASN A 7 4.951 -17.984 -8.384 1.00 0.00 C ATOM 4 O ASN A 7 6.079 -17.511 -8.544 1.00 0.00 O ATOM 5 CB ASN A 7 3.444 -16.374 -9.603 1.00 0.00 C ATOM 6 CG ASN A 7 2.924 -15.767 -8.305 1.00 0.00 C ATOM 7 OD1 ASN A 7 2.885 -14.454 -8.247 1.00 0.00 O flip ATOM 8 ND2 ASN A 7 2.531 -16.478 -7.378 1.00 0.00 N flip ATOM 0 HA ASN A 7 4.286 -18.172 -10.410 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.291 -15.787 -9.957 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.668 -16.305 -10.365 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.577 -17.494 -7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.160 -16.051 -6.529 1.00 0.00 H new ATOM 15 N GLY A 8 4.584 -18.644 -7.289 1.00 0.00 N ATOM 16 CA GLY A 8 5.510 -18.879 -6.212 1.00 0.00 C ATOM 17 C GLY A 8 5.374 -17.851 -5.120 1.00 0.00 C ATOM 18 O GLY A 8 4.434 -17.898 -4.325 1.00 0.00 O ATOM 0 H GLY A 8 3.649 -19.021 -7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.341 -19.873 -5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.529 -18.864 -6.599 1.00 0.00 H new ATOM 22 N LEU A 9 6.296 -16.923 -5.081 1.00 0.00 N ATOM 23 CA LEU A 9 6.290 -15.877 -4.096 1.00 0.00 C ATOM 24 C LEU A 9 6.566 -14.545 -4.769 1.00 0.00 C ATOM 25 O LEU A 9 7.674 -14.303 -5.246 1.00 0.00 O ATOM 26 CB LEU A 9 7.341 -16.151 -3.017 1.00 0.00 C ATOM 27 CG LEU A 9 7.388 -15.144 -1.867 1.00 0.00 C ATOM 28 CD1 LEU A 9 6.096 -15.183 -1.066 1.00 0.00 C ATOM 29 CD2 LEU A 9 8.584 -15.414 -0.972 1.00 0.00 C ATOM 0 H LEU A 9 7.076 -16.874 -5.737 1.00 0.00 H new ATOM 0 HA LEU A 9 5.310 -15.844 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.158 -17.142 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.322 -16.180 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 9 7.495 -14.145 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.150 -14.459 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.257 -14.936 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.953 -16.182 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.601 -14.688 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.509 -16.420 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.501 -15.328 -1.555 1.00 0.00 H new ATOM 41 N PRO A 10 5.552 -13.683 -4.862 1.00 0.00 N ATOM 42 CA PRO A 10 5.701 -12.361 -5.467 1.00 0.00 C ATOM 43 C PRO A 10 6.723 -11.507 -4.723 1.00 0.00 C ATOM 44 O PRO A 10 6.748 -11.489 -3.486 1.00 0.00 O ATOM 45 CB PRO A 10 4.308 -11.732 -5.326 1.00 0.00 C ATOM 46 CG PRO A 10 3.378 -12.875 -5.098 1.00 0.00 C ATOM 47 CD PRO A 10 4.174 -13.938 -4.404 1.00 0.00 C ATOM 0 HA PRO A 10 6.053 -12.428 -6.496 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.277 -11.029 -4.494 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.035 -11.177 -6.223 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.527 -12.568 -4.490 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.978 -13.244 -6.042 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.090 -13.861 -3.320 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.837 -14.937 -4.679 1.00 0.00 H new ATOM 55 N SER A 11 7.556 -10.791 -5.471 1.00 0.00 N ATOM 56 CA SER A 11 8.550 -9.898 -4.878 1.00 0.00 C ATOM 57 C SER A 11 7.847 -8.751 -4.157 1.00 0.00 C ATOM 58 O SER A 11 8.425 -8.080 -3.302 1.00 0.00 O ATOM 59 CB SER A 11 9.474 -9.350 -5.963 1.00 0.00 C ATOM 60 OG SER A 11 10.034 -10.405 -6.729 1.00 0.00 O ATOM 0 H SER A 11 7.564 -10.811 -6.491 1.00 0.00 H new ATOM 0 HA SER A 11 9.148 -10.456 -4.158 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.917 -8.677 -6.615 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.271 -8.764 -5.506 1.00 0.00 H new ATOM 0 HG SER A 11 10.621 -10.032 -7.419 1.00 0.00 H new ATOM 66 N GLU A 12 6.578 -8.566 -4.500 1.00 0.00 N ATOM 67 CA GLU A 12 5.729 -7.547 -3.905 1.00 0.00 C ATOM 68 C GLU A 12 5.547 -7.813 -2.401 1.00 0.00 C ATOM 69 O GLU A 12 5.191 -6.919 -1.637 1.00 0.00 O ATOM 70 CB GLU A 12 4.363 -7.561 -4.608 1.00 0.00 C ATOM 71 CG GLU A 12 4.460 -7.536 -6.135 1.00 0.00 C ATOM 72 CD GLU A 12 3.143 -7.862 -6.821 1.00 0.00 C ATOM 73 OE1 GLU A 12 2.515 -8.879 -6.456 1.00 0.00 O ATOM 74 OE2 GLU A 12 2.737 -7.115 -7.740 1.00 0.00 O ATOM 0 H GLU A 12 6.106 -9.128 -5.208 1.00 0.00 H new ATOM 0 HA GLU A 12 6.197 -6.570 -4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.815 -8.452 -4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.783 -6.700 -4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.796 -6.550 -6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.217 -8.251 -6.457 1.00 0.00 H new ATOM 81 N THR A 13 5.812 -9.052 -1.988 1.00 0.00 N ATOM 82 CA THR A 13 5.661 -9.447 -0.596 1.00 0.00 C ATOM 83 C THR A 13 6.929 -9.141 0.213 1.00 0.00 C ATOM 84 O THR A 13 6.923 -9.195 1.443 1.00 0.00 O ATOM 85 CB THR A 13 5.340 -10.961 -0.473 1.00 0.00 C ATOM 86 OG1 THR A 13 6.489 -11.741 -0.839 1.00 0.00 O ATOM 87 CG2 THR A 13 4.177 -11.348 -1.375 1.00 0.00 C ATOM 0 H THR A 13 6.133 -9.799 -2.604 1.00 0.00 H new ATOM 0 HA THR A 13 4.830 -8.868 -0.193 1.00 0.00 H new ATOM 0 HB THR A 13 5.069 -11.160 0.564 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.792 -11.477 -1.733 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.973 -12.414 -1.269 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.291 -10.779 -1.091 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.432 -11.129 -2.412 1.00 0.00 H new ATOM 95 N TYR A 14 8.007 -8.815 -0.486 1.00 0.00 N ATOM 96 CA TYR A 14 9.284 -8.553 0.158 1.00 0.00 C ATOM 97 C TYR A 14 9.638 -7.059 0.144 1.00 0.00 C ATOM 98 O TYR A 14 10.529 -6.617 0.870 1.00 0.00 O ATOM 99 CB TYR A 14 10.400 -9.377 -0.530 1.00 0.00 C ATOM 100 CG TYR A 14 11.800 -8.878 -0.234 1.00 0.00 C ATOM 101 CD1 TYR A 14 12.412 -9.137 0.985 1.00 0.00 C ATOM 102 CD2 TYR A 14 12.495 -8.122 -1.169 1.00 0.00 C ATOM 103 CE1 TYR A 14 13.675 -8.654 1.264 1.00 0.00 C ATOM 104 CE2 TYR A 14 13.757 -7.642 -0.903 1.00 0.00 C ATOM 105 CZ TYR A 14 14.343 -7.908 0.318 1.00 0.00 C ATOM 106 OH TYR A 14 15.603 -7.420 0.593 1.00 0.00 O ATOM 0 H TYR A 14 8.021 -8.726 -1.502 1.00 0.00 H new ATOM 0 HA TYR A 14 9.199 -8.856 1.201 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.320 -10.416 -0.212 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.239 -9.361 -1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.892 -9.725 1.727 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.036 -7.907 -2.123 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.137 -8.860 2.218 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.285 -7.061 -1.645 1.00 0.00 H new ATOM 0 HH TYR A 14 15.934 -6.916 -0.179 1.00 0.00 H new ATOM 116 N ILE A 15 8.920 -6.278 -0.625 1.00 0.00 N ATOM 117 CA ILE A 15 9.275 -4.887 -0.777 1.00 0.00 C ATOM 118 C ILE A 15 8.620 -4.050 0.324 1.00 0.00 C ATOM 119 O ILE A 15 7.539 -4.384 0.802 1.00 0.00 O ATOM 120 CB ILE A 15 8.874 -4.355 -2.184 1.00 0.00 C ATOM 121 CG1 ILE A 15 9.513 -2.993 -2.460 1.00 0.00 C ATOM 122 CG2 ILE A 15 7.360 -4.277 -2.337 1.00 0.00 C ATOM 123 CD1 ILE A 15 11.024 -3.040 -2.519 1.00 0.00 C ATOM 0 H ILE A 15 8.097 -6.575 -1.149 1.00 0.00 H new ATOM 0 HA ILE A 15 10.358 -4.800 -0.685 1.00 0.00 H new ATOM 0 HB ILE A 15 9.250 -5.065 -2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.132 -2.606 -3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.209 -2.293 -1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.114 -3.902 -3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.930 -5.270 -2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.952 -3.603 -1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 15 11.412 -2.041 -2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.414 -3.398 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 15 11.336 -3.715 -3.316 1.00 0.00 H new ATOM 135 N THR A 16 9.291 -2.992 0.749 1.00 0.00 N ATOM 136 CA THR A 16 8.751 -2.121 1.777 1.00 0.00 C ATOM 137 C THR A 16 8.048 -0.927 1.147 1.00 0.00 C ATOM 138 O THR A 16 8.285 -0.598 -0.018 1.00 0.00 O ATOM 139 CB THR A 16 9.857 -1.605 2.722 1.00 0.00 C ATOM 140 OG1 THR A 16 10.861 -0.910 1.967 1.00 0.00 O ATOM 141 CG2 THR A 16 10.495 -2.750 3.486 1.00 0.00 C ATOM 0 H THR A 16 10.208 -2.717 0.398 1.00 0.00 H new ATOM 0 HA THR A 16 8.040 -2.710 2.356 1.00 0.00 H new ATOM 0 HB THR A 16 9.401 -0.922 3.439 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.639 -1.493 1.843 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.271 -2.360 4.145 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.736 -3.258 4.081 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.937 -3.455 2.782 1.00 0.00 H new ATOM 149 N CYS A 17 7.192 -0.275 1.912 1.00 0.00 N ATOM 150 CA CYS A 17 6.470 0.895 1.426 1.00 0.00 C ATOM 151 C CYS A 17 7.426 2.062 1.219 1.00 0.00 C ATOM 152 O CYS A 17 7.148 2.983 0.447 1.00 0.00 O ATOM 153 CB CYS A 17 5.389 1.280 2.410 1.00 0.00 C ATOM 154 SG CYS A 17 5.077 0.006 3.663 1.00 0.00 S ATOM 0 H CYS A 17 6.977 -0.533 2.875 1.00 0.00 H new ATOM 0 HA CYS A 17 6.010 0.648 0.469 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.673 2.208 2.907 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.466 1.479 1.866 1.00 0.00 H new ATOM 159 N ALA A 18 8.555 2.020 1.917 1.00 0.00 N ATOM 160 CA ALA A 18 9.574 3.036 1.771 1.00 0.00 C ATOM 161 C ALA A 18 10.235 2.904 0.410 1.00 0.00 C ATOM 162 O ALA A 18 10.322 3.869 -0.348 1.00 0.00 O ATOM 163 CB ALA A 18 10.605 2.917 2.884 1.00 0.00 C ATOM 0 H ALA A 18 8.782 1.288 2.590 1.00 0.00 H new ATOM 0 HA ALA A 18 9.111 4.020 1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.365 3.688 2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.115 3.043 3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.075 1.934 2.841 1.00 0.00 H new ATOM 169 N GLU A 19 10.662 1.689 0.085 1.00 0.00 N ATOM 170 CA GLU A 19 11.303 1.409 -1.192 1.00 0.00 C ATOM 171 C GLU A 19 10.311 1.514 -2.350 1.00 0.00 C ATOM 172 O GLU A 19 10.710 1.687 -3.506 1.00 0.00 O ATOM 173 CB GLU A 19 11.940 0.031 -1.162 1.00 0.00 C ATOM 174 CG GLU A 19 13.058 -0.102 -0.146 1.00 0.00 C ATOM 175 CD GLU A 19 13.494 -1.533 0.045 1.00 0.00 C ATOM 176 OE1 GLU A 19 12.874 -2.234 0.873 1.00 0.00 O ATOM 177 OE2 GLU A 19 14.458 -1.963 -0.626 1.00 0.00 O ATOM 0 H GLU A 19 10.574 0.876 0.695 1.00 0.00 H new ATOM 0 HA GLU A 19 12.079 2.158 -1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.171 -0.710 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.332 -0.200 -2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.911 0.495 -0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.727 0.305 0.810 1.00 0.00 H new ATOM 184 N ALA A 20 9.014 1.408 -2.042 1.00 0.00 N ATOM 185 CA ALA A 20 7.980 1.551 -3.054 1.00 0.00 C ATOM 186 C ALA A 20 7.964 2.980 -3.570 1.00 0.00 C ATOM 187 O ALA A 20 7.600 3.238 -4.713 1.00 0.00 O ATOM 188 CB ALA A 20 6.621 1.171 -2.483 1.00 0.00 C ATOM 0 H ALA A 20 8.663 1.224 -1.102 1.00 0.00 H new ATOM 0 HA ALA A 20 8.198 0.879 -3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.858 1.284 -3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.645 0.135 -2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.385 1.822 -1.641 1.00 0.00 H new ATOM 194 N ASN A 21 8.397 3.903 -2.721 1.00 0.00 N ATOM 195 CA ASN A 21 8.475 5.306 -3.092 1.00 0.00 C ATOM 196 C ASN A 21 9.635 5.503 -4.041 1.00 0.00 C ATOM 197 O ASN A 21 9.540 6.252 -5.010 1.00 0.00 O ATOM 198 CB ASN A 21 8.644 6.184 -1.852 1.00 0.00 C ATOM 199 CG ASN A 21 8.836 7.652 -2.186 1.00 0.00 C ATOM 200 OD1 ASN A 21 7.865 8.386 -2.390 1.00 0.00 O ATOM 201 ND2 ASN A 21 10.082 8.095 -2.223 1.00 0.00 N ATOM 0 H ASN A 21 8.700 3.702 -1.768 1.00 0.00 H new ATOM 0 HA ASN A 21 7.548 5.599 -3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.767 6.074 -1.214 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.502 5.832 -1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.268 9.077 -2.426 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.856 7.455 -2.048 1.00 0.00 H new ATOM 208 N GLU A 22 10.732 4.818 -3.754 1.00 0.00 N ATOM 209 CA GLU A 22 11.899 4.853 -4.611 1.00 0.00 C ATOM 210 C GLU A 22 11.530 4.350 -5.994 1.00 0.00 C ATOM 211 O GLU A 22 11.889 4.960 -7.000 1.00 0.00 O ATOM 212 CB GLU A 22 13.034 4.027 -4.014 1.00 0.00 C ATOM 213 CG GLU A 22 13.447 4.496 -2.631 1.00 0.00 C ATOM 214 CD GLU A 22 13.618 5.996 -2.569 1.00 0.00 C ATOM 215 OE1 GLU A 22 14.666 6.507 -3.028 1.00 0.00 O ATOM 216 OE2 GLU A 22 12.696 6.680 -2.083 1.00 0.00 O ATOM 0 H GLU A 22 10.835 4.229 -2.928 1.00 0.00 H new ATOM 0 HA GLU A 22 12.249 5.882 -4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.726 2.983 -3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.897 4.071 -4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.696 4.186 -1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.382 4.013 -2.349 1.00 0.00 H new ATOM 223 N MET A 23 10.822 3.227 -6.037 1.00 0.00 N ATOM 224 CA MET A 23 10.287 2.711 -7.286 1.00 0.00 C ATOM 225 C MET A 23 9.432 3.776 -7.970 1.00 0.00 C ATOM 226 O MET A 23 9.655 4.094 -9.124 1.00 0.00 O ATOM 227 CB MET A 23 9.442 1.457 -7.032 1.00 0.00 C ATOM 228 CG MET A 23 8.653 0.993 -8.252 1.00 0.00 C ATOM 229 SD MET A 23 7.517 -0.360 -7.886 1.00 0.00 S ATOM 230 CE MET A 23 8.658 -1.692 -7.557 1.00 0.00 C ATOM 0 H MET A 23 10.606 2.658 -5.219 1.00 0.00 H new ATOM 0 HA MET A 23 11.122 2.447 -7.935 1.00 0.00 H new ATOM 0 HB2 MET A 23 10.096 0.649 -6.704 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.748 1.656 -6.216 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.089 1.835 -8.654 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.349 0.675 -9.028 1.00 0.00 H new ATOM 0 HE1 MET A 23 8.108 -2.629 -7.473 1.00 0.00 H new ATOM 0 HE2 MET A 23 9.377 -1.765 -8.373 1.00 0.00 H new ATOM 0 HE3 MET A 23 9.186 -1.496 -6.624 1.00 0.00 H new ATOM 240 N ALA A 24 8.458 4.309 -7.227 1.00 0.00 N ATOM 241 CA ALA A 24 7.548 5.363 -7.710 1.00 0.00 C ATOM 242 C ALA A 24 8.284 6.512 -8.407 1.00 0.00 C ATOM 243 O ALA A 24 7.754 7.128 -9.327 1.00 0.00 O ATOM 244 CB ALA A 24 6.701 5.900 -6.564 1.00 0.00 C ATOM 0 H ALA A 24 8.274 4.022 -6.266 1.00 0.00 H new ATOM 0 HA ALA A 24 6.902 4.901 -8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.035 6.677 -6.937 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.110 5.089 -6.137 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.351 6.318 -5.796 1.00 0.00 H new ATOM 250 N LYS A 25 9.500 6.783 -7.970 1.00 0.00 N ATOM 251 CA LYS A 25 10.314 7.863 -8.543 1.00 0.00 C ATOM 252 C LYS A 25 10.605 7.589 -10.002 1.00 0.00 C ATOM 253 O LYS A 25 10.773 8.507 -10.801 1.00 0.00 O ATOM 254 CB LYS A 25 11.619 8.024 -7.766 1.00 0.00 C ATOM 255 CG LYS A 25 11.423 8.494 -6.337 1.00 0.00 C ATOM 256 CD LYS A 25 12.733 8.533 -5.576 1.00 0.00 C ATOM 257 CE LYS A 25 12.533 9.095 -4.185 1.00 0.00 C ATOM 258 NZ LYS A 25 13.770 9.043 -3.378 1.00 0.00 N ATOM 0 H LYS A 25 9.957 6.271 -7.215 1.00 0.00 H new ATOM 0 HA LYS A 25 9.749 8.792 -8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.146 7.070 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.258 8.736 -8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.973 9.487 -6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.726 7.829 -5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.150 7.528 -5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.455 9.143 -6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.192 10.128 -4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.747 8.535 -3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.526 9.057 -2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.290 8.169 -3.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.366 9.866 -3.602 1.00 0.00 H new ATOM 272 N THR A 26 10.658 6.328 -10.334 1.00 0.00 N ATOM 273 CA THR A 26 10.869 5.909 -11.689 1.00 0.00 C ATOM 274 C THR A 26 9.562 5.390 -12.282 1.00 0.00 C ATOM 275 O THR A 26 9.327 5.488 -13.486 1.00 0.00 O ATOM 276 CB THR A 26 11.961 4.819 -11.781 1.00 0.00 C ATOM 277 OG1 THR A 26 11.668 3.741 -10.875 1.00 0.00 O ATOM 278 CG2 THR A 26 13.326 5.399 -11.444 1.00 0.00 C ATOM 0 H THR A 26 10.556 5.561 -9.669 1.00 0.00 H new ATOM 0 HA THR A 26 11.210 6.773 -12.259 1.00 0.00 H new ATOM 0 HB THR A 26 11.975 4.441 -12.803 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.812 3.911 -10.430 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.081 4.616 -11.514 1.00 0.00 H new ATOM 0 HG22 THR A 26 13.565 6.198 -12.146 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.311 5.799 -10.430 1.00 0.00 H new ATOM 286 N ASP A 27 8.712 4.844 -11.417 1.00 0.00 N ATOM 287 CA ASP A 27 7.440 4.297 -11.831 1.00 0.00 C ATOM 288 C ASP A 27 6.401 4.426 -10.732 1.00 0.00 C ATOM 289 O ASP A 27 6.306 3.574 -9.853 1.00 0.00 O ATOM 290 CB ASP A 27 7.605 2.842 -12.170 1.00 0.00 C ATOM 291 CG ASP A 27 6.546 2.355 -13.148 1.00 0.00 C ATOM 292 OD1 ASP A 27 5.385 2.158 -12.733 1.00 0.00 O ATOM 293 OD2 ASP A 27 6.869 2.162 -14.339 1.00 0.00 O ATOM 0 H ASP A 27 8.892 4.772 -10.416 1.00 0.00 H new ATOM 0 HA ASP A 27 7.101 4.857 -12.702 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.594 2.681 -12.598 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.553 2.250 -11.256 1.00 0.00 H new ATOM 298 N SER A 28 5.650 5.495 -10.770 1.00 0.00 N ATOM 299 CA SER A 28 4.587 5.707 -9.800 1.00 0.00 C ATOM 300 C SER A 28 3.377 4.849 -10.153 1.00 0.00 C ATOM 301 O SER A 28 2.529 4.564 -9.303 1.00 0.00 O ATOM 302 CB SER A 28 4.186 7.180 -9.734 1.00 0.00 C ATOM 303 OG SER A 28 5.275 7.999 -9.327 1.00 0.00 O ATOM 0 H SER A 28 5.748 6.239 -11.461 1.00 0.00 H new ATOM 0 HA SER A 28 4.960 5.414 -8.819 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.830 7.505 -10.712 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.357 7.302 -9.036 1.00 0.00 H new ATOM 0 HG SER A 28 6.118 7.583 -9.603 1.00 0.00 H new ATOM 309 N ALA A 29 3.317 4.422 -11.409 1.00 0.00 N ATOM 310 CA ALA A 29 2.202 3.646 -11.910 1.00 0.00 C ATOM 311 C ALA A 29 2.059 2.295 -11.213 1.00 0.00 C ATOM 312 O ALA A 29 1.038 2.035 -10.576 1.00 0.00 O ATOM 313 CB ALA A 29 2.322 3.463 -13.415 1.00 0.00 C ATOM 0 H ALA A 29 4.041 4.606 -12.103 1.00 0.00 H new ATOM 0 HA ALA A 29 1.296 4.209 -11.686 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.477 2.878 -13.779 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.324 4.439 -13.901 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.251 2.941 -13.645 1.00 0.00 H new ATOM 319 N GLN A 30 3.088 1.447 -11.300 1.00 0.00 N ATOM 320 CA GLN A 30 2.993 0.096 -10.751 1.00 0.00 C ATOM 321 C GLN A 30 2.914 0.093 -9.230 1.00 0.00 C ATOM 322 O GLN A 30 2.419 -0.858 -8.634 1.00 0.00 O ATOM 323 CB GLN A 30 4.143 -0.784 -11.244 1.00 0.00 C ATOM 324 CG GLN A 30 5.516 -0.305 -10.831 1.00 0.00 C ATOM 325 CD GLN A 30 6.619 -1.108 -11.480 1.00 0.00 C ATOM 326 OE1 GLN A 30 6.466 -1.612 -12.591 1.00 0.00 O ATOM 327 NE2 GLN A 30 7.727 -1.237 -10.799 1.00 0.00 N ATOM 0 H GLN A 30 3.982 1.669 -11.738 1.00 0.00 H new ATOM 0 HA GLN A 30 2.059 -0.328 -11.118 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.996 -1.797 -10.868 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.102 -0.838 -12.332 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.628 0.746 -11.098 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.611 -0.370 -9.747 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.814 -0.803 -9.880 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.504 -1.772 -11.187 1.00 0.00 H new ATOM 336 N VAL A 31 3.363 1.170 -8.606 1.00 0.00 N ATOM 337 CA VAL A 31 3.304 1.282 -7.161 1.00 0.00 C ATOM 338 C VAL A 31 1.865 1.455 -6.738 1.00 0.00 C ATOM 339 O VAL A 31 1.404 0.841 -5.776 1.00 0.00 O ATOM 340 CB VAL A 31 4.133 2.476 -6.645 1.00 0.00 C ATOM 341 CG1 VAL A 31 4.048 2.585 -5.130 1.00 0.00 C ATOM 342 CG2 VAL A 31 5.572 2.338 -7.083 1.00 0.00 C ATOM 0 H VAL A 31 3.771 1.977 -9.078 1.00 0.00 H new ATOM 0 HA VAL A 31 3.725 0.372 -6.733 1.00 0.00 H new ATOM 0 HB VAL A 31 3.719 3.389 -7.072 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.641 3.435 -4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.009 2.727 -4.833 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.433 1.671 -4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.148 3.186 -6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.988 1.414 -6.681 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.620 2.314 -8.172 1.00 0.00 H new ATOM 352 N ALA A 32 1.145 2.261 -7.500 1.00 0.00 N ATOM 353 CA ALA A 32 -0.250 2.513 -7.235 1.00 0.00 C ATOM 354 C ALA A 32 -1.079 1.306 -7.644 1.00 0.00 C ATOM 355 O ALA A 32 -2.170 1.096 -7.144 1.00 0.00 O ATOM 356 CB ALA A 32 -0.711 3.759 -7.967 1.00 0.00 C ATOM 0 H ALA A 32 1.514 2.754 -8.314 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.385 2.681 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.766 3.935 -7.757 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.126 4.615 -7.632 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.573 3.623 -9.040 1.00 0.00 H new ATOM 362 N GLU A 33 -0.541 0.510 -8.559 1.00 0.00 N ATOM 363 CA GLU A 33 -1.214 -0.695 -9.007 1.00 0.00 C ATOM 364 C GLU A 33 -1.166 -1.779 -7.938 1.00 0.00 C ATOM 365 O GLU A 33 -2.187 -2.375 -7.607 1.00 0.00 O ATOM 366 CB GLU A 33 -0.593 -1.222 -10.304 1.00 0.00 C ATOM 367 CG GLU A 33 -0.763 -0.296 -11.494 1.00 0.00 C ATOM 368 CD GLU A 33 -2.211 0.005 -11.787 1.00 0.00 C ATOM 369 OE1 GLU A 33 -2.944 -0.917 -12.198 1.00 0.00 O ATOM 370 OE2 GLU A 33 -2.632 1.162 -11.606 1.00 0.00 O ATOM 0 H GLU A 33 0.361 0.680 -9.004 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.255 -0.434 -9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.471 -1.395 -10.141 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.040 -2.187 -10.542 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.232 0.637 -11.303 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.304 -0.750 -12.372 1.00 0.00 H new ATOM 377 N ILE A 34 0.021 -2.010 -7.378 1.00 0.00 N ATOM 378 CA ILE A 34 0.207 -3.057 -6.379 1.00 0.00 C ATOM 379 C ILE A 34 -0.634 -2.774 -5.150 1.00 0.00 C ATOM 380 O ILE A 34 -1.302 -3.667 -4.614 1.00 0.00 O ATOM 381 CB ILE A 34 1.697 -3.199 -5.966 1.00 0.00 C ATOM 382 CG1 ILE A 34 2.557 -3.568 -7.182 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.855 -4.249 -4.867 1.00 0.00 C ATOM 384 CD1 ILE A 34 4.045 -3.607 -6.892 1.00 0.00 C ATOM 0 H ILE A 34 0.867 -1.485 -7.600 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.113 -3.995 -6.832 1.00 0.00 H new ATOM 0 HB ILE A 34 2.036 -2.239 -5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.243 -4.543 -7.554 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.371 -2.848 -7.979 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.906 -4.333 -4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.274 -3.952 -3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.497 -5.212 -5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.586 -3.875 -7.800 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.375 -2.626 -6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.246 -4.348 -6.118 1.00 0.00 H new ATOM 396 N VAL A 35 -0.627 -1.524 -4.723 1.00 0.00 N ATOM 397 CA VAL A 35 -1.382 -1.130 -3.552 1.00 0.00 C ATOM 398 C VAL A 35 -2.888 -1.148 -3.826 1.00 0.00 C ATOM 399 O VAL A 35 -3.688 -1.329 -2.912 1.00 0.00 O ATOM 400 CB VAL A 35 -0.961 0.261 -3.028 1.00 0.00 C ATOM 401 CG1 VAL A 35 0.508 0.269 -2.637 1.00 0.00 C ATOM 402 CG2 VAL A 35 -1.256 1.347 -4.049 1.00 0.00 C ATOM 0 H VAL A 35 -0.108 -0.768 -5.169 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.156 -1.865 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.552 0.474 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.782 1.259 -2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.680 -0.468 -1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.117 0.022 -3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.949 2.314 -3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.707 1.142 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.325 1.366 -4.262 1.00 0.00 H new ATOM 412 N ALA A 36 -3.262 -0.984 -5.087 1.00 0.00 N ATOM 413 CA ALA A 36 -4.664 -0.984 -5.465 1.00 0.00 C ATOM 414 C ALA A 36 -5.213 -2.397 -5.565 1.00 0.00 C ATOM 415 O ALA A 36 -6.271 -2.685 -5.017 1.00 0.00 O ATOM 416 CB ALA A 36 -4.872 -0.243 -6.776 1.00 0.00 C ATOM 0 H ALA A 36 -2.614 -0.850 -5.863 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.213 -0.464 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.930 -0.257 -7.038 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.538 0.789 -6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.297 -0.729 -7.564 1.00 0.00 H new ATOM 422 N VAL A 37 -4.481 -3.280 -6.260 1.00 0.00 N ATOM 423 CA VAL A 37 -4.918 -4.672 -6.455 1.00 0.00 C ATOM 424 C VAL A 37 -5.356 -5.322 -5.142 1.00 0.00 C ATOM 425 O VAL A 37 -6.535 -5.629 -4.960 1.00 0.00 O ATOM 426 CB VAL A 37 -3.814 -5.543 -7.121 1.00 0.00 C ATOM 427 CG1 VAL A 37 -4.255 -7.001 -7.214 1.00 0.00 C ATOM 428 CG2 VAL A 37 -3.476 -5.011 -8.503 1.00 0.00 C ATOM 0 H VAL A 37 -3.586 -3.057 -6.696 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.776 -4.625 -7.126 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.922 -5.491 -6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.467 -7.590 -7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.450 -7.387 -6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.164 -7.069 -7.812 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.702 -5.633 -8.953 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.368 -5.032 -9.129 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.115 -3.986 -8.420 1.00 0.00 H new ATOM 438 N MET A 38 -4.422 -5.521 -4.222 1.00 0.00 N ATOM 439 CA MET A 38 -4.764 -6.131 -2.952 1.00 0.00 C ATOM 440 C MET A 38 -5.472 -5.149 -2.041 1.00 0.00 C ATOM 441 O MET A 38 -6.431 -5.508 -1.386 1.00 0.00 O ATOM 442 CB MET A 38 -3.526 -6.687 -2.249 1.00 0.00 C ATOM 443 CG MET A 38 -3.856 -7.450 -0.968 1.00 0.00 C ATOM 444 SD MET A 38 -2.391 -7.969 -0.054 1.00 0.00 S ATOM 445 CE MET A 38 -1.722 -6.381 0.445 1.00 0.00 C ATOM 0 H MET A 38 -3.439 -5.273 -4.331 1.00 0.00 H new ATOM 0 HA MET A 38 -5.442 -6.957 -3.169 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.994 -7.349 -2.932 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.851 -5.865 -2.011 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.473 -6.821 -0.326 1.00 0.00 H new ATOM 0 HG3 MET A 38 -4.450 -8.329 -1.219 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.461 -6.412 1.503 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.830 -6.161 -0.142 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.467 -5.603 0.278 1.00 0.00 H new ATOM 455 N GLY A 39 -5.001 -3.911 -2.022 1.00 0.00 N ATOM 456 CA GLY A 39 -5.566 -2.900 -1.137 1.00 0.00 C ATOM 457 C GLY A 39 -7.066 -2.741 -1.285 1.00 0.00 C ATOM 458 O GLY A 39 -7.806 -2.934 -0.326 1.00 0.00 O ATOM 0 H GLY A 39 -4.232 -3.582 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.336 -3.162 -0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.085 -1.943 -1.337 1.00 0.00 H new ATOM 462 N ASN A 40 -7.505 -2.399 -2.491 1.00 0.00 N ATOM 463 CA ASN A 40 -8.933 -2.183 -2.774 1.00 0.00 C ATOM 464 C ASN A 40 -9.768 -3.418 -2.423 1.00 0.00 C ATOM 465 O ASN A 40 -10.827 -3.306 -1.811 1.00 0.00 O ATOM 466 CB ASN A 40 -9.148 -1.766 -4.248 1.00 0.00 C ATOM 467 CG ASN A 40 -9.680 -2.886 -5.146 1.00 0.00 C ATOM 468 OD1 ASN A 40 -10.892 -3.054 -5.303 1.00 0.00 O ATOM 469 ND2 ASN A 40 -8.781 -3.650 -5.732 1.00 0.00 N ATOM 0 H ASN A 40 -6.895 -2.263 -3.297 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.275 -1.366 -2.139 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.845 -0.929 -4.279 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.202 -1.408 -4.654 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.078 -4.412 -6.341 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.787 -3.479 -5.577 1.00 0.00 H new ATOM 476 N ALA A 41 -9.276 -4.593 -2.793 1.00 0.00 N ATOM 477 CA ALA A 41 -9.982 -5.830 -2.520 1.00 0.00 C ATOM 478 C ALA A 41 -9.978 -6.146 -1.034 1.00 0.00 C ATOM 479 O ALA A 41 -10.946 -6.667 -0.503 1.00 0.00 O ATOM 480 CB ALA A 41 -9.364 -6.975 -3.307 1.00 0.00 C ATOM 0 H ALA A 41 -8.389 -4.712 -3.283 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.018 -5.705 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.904 -7.897 -3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.425 -6.758 -4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.319 -7.091 -3.020 1.00 0.00 H new ATOM 486 N SER A 42 -8.891 -5.806 -0.375 1.00 0.00 N ATOM 487 CA SER A 42 -8.734 -6.083 1.037 1.00 0.00 C ATOM 488 C SER A 42 -9.612 -5.148 1.888 1.00 0.00 C ATOM 489 O SER A 42 -10.370 -5.614 2.751 1.00 0.00 O ATOM 490 CB SER A 42 -7.258 -5.980 1.441 1.00 0.00 C ATOM 491 OG SER A 42 -6.976 -6.784 2.574 1.00 0.00 O ATOM 0 H SER A 42 -8.094 -5.332 -0.800 1.00 0.00 H new ATOM 0 HA SER A 42 -9.068 -7.103 1.225 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.628 -6.290 0.607 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.010 -4.941 1.659 1.00 0.00 H new ATOM 0 HG SER A 42 -6.395 -6.290 3.189 1.00 0.00 H new ATOM 497 N VAL A 43 -9.517 -3.833 1.658 1.00 0.00 N ATOM 498 CA VAL A 43 -10.358 -2.875 2.385 1.00 0.00 C ATOM 499 C VAL A 43 -11.845 -3.182 2.183 1.00 0.00 C ATOM 500 O VAL A 43 -12.631 -3.159 3.134 1.00 0.00 O ATOM 501 CB VAL A 43 -10.064 -1.393 1.996 1.00 0.00 C ATOM 502 CG1 VAL A 43 -8.660 -0.996 2.416 1.00 0.00 C ATOM 503 CG2 VAL A 43 -10.257 -1.158 0.505 1.00 0.00 C ATOM 0 H VAL A 43 -8.876 -3.413 0.985 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.106 -2.991 3.439 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.779 -0.766 2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.476 0.041 2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.559 -1.103 3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.935 -1.641 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.044 -0.115 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.579 -1.802 -0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.286 -1.388 0.231 1.00 0.00 H new ATOM 513 N ALA A 44 -12.211 -3.515 0.956 1.00 0.00 N ATOM 514 CA ALA A 44 -13.582 -3.859 0.624 1.00 0.00 C ATOM 515 C ALA A 44 -13.932 -5.250 1.145 1.00 0.00 C ATOM 516 O ALA A 44 -15.085 -5.655 1.129 1.00 0.00 O ATOM 517 CB ALA A 44 -13.798 -3.781 -0.880 1.00 0.00 C ATOM 0 H ALA A 44 -11.568 -3.554 0.165 1.00 0.00 H new ATOM 0 HA ALA A 44 -14.243 -3.140 1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.830 -4.042 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.593 -2.768 -1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.126 -4.478 -1.381 1.00 0.00 H new ATOM 523 N SER A 45 -12.930 -5.976 1.608 1.00 0.00 N ATOM 524 CA SER A 45 -13.142 -7.326 2.077 1.00 0.00 C ATOM 525 C SER A 45 -13.561 -7.337 3.534 1.00 0.00 C ATOM 526 O SER A 45 -14.479 -8.065 3.921 1.00 0.00 O ATOM 527 CB SER A 45 -11.880 -8.175 1.889 1.00 0.00 C ATOM 528 OG SER A 45 -12.096 -9.509 2.302 1.00 0.00 O ATOM 0 H SER A 45 -11.965 -5.651 1.668 1.00 0.00 H new ATOM 0 HA SER A 45 -13.946 -7.758 1.482 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.581 -8.160 0.841 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.059 -7.743 2.461 1.00 0.00 H new ATOM 0 HG SER A 45 -11.276 -10.029 2.170 1.00 0.00 H new ATOM 534 N ARG A 46 -12.906 -6.522 4.348 1.00 0.00 N ATOM 535 CA ARG A 46 -13.182 -6.540 5.778 1.00 0.00 C ATOM 536 C ARG A 46 -14.216 -5.494 6.156 1.00 0.00 C ATOM 537 O ARG A 46 -14.904 -5.623 7.167 1.00 0.00 O ATOM 538 CB ARG A 46 -11.893 -6.297 6.569 1.00 0.00 C ATOM 539 CG ARG A 46 -10.754 -7.276 6.272 1.00 0.00 C ATOM 540 CD ARG A 46 -11.127 -8.719 6.598 1.00 0.00 C ATOM 541 NE ARG A 46 -11.771 -9.400 5.472 1.00 0.00 N ATOM 542 CZ ARG A 46 -12.426 -10.554 5.571 1.00 0.00 C ATOM 543 NH1 ARG A 46 -12.543 -11.154 6.750 1.00 0.00 N ATOM 544 NH2 ARG A 46 -12.952 -11.112 4.491 1.00 0.00 N ATOM 0 H ARG A 46 -12.195 -5.853 4.052 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.582 -7.523 6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.544 -5.285 6.363 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.124 -6.344 7.633 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.481 -7.203 5.219 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.874 -6.992 6.850 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.229 -9.267 6.885 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.797 -8.732 7.458 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.714 -8.961 4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.131 -10.730 7.581 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.045 -12.039 6.824 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.855 -10.657 3.583 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.454 -11.997 4.567 1.00 0.00 H new ATOM 558 N ASP A 47 -14.330 -4.464 5.344 1.00 0.00 N ATOM 559 CA ASP A 47 -15.294 -3.416 5.599 1.00 0.00 C ATOM 560 C ASP A 47 -16.451 -3.487 4.615 1.00 0.00 C ATOM 561 O ASP A 47 -17.612 -3.398 5.008 1.00 0.00 O ATOM 562 CB ASP A 47 -14.618 -2.058 5.533 1.00 0.00 C ATOM 563 CG ASP A 47 -15.521 -0.950 5.984 1.00 0.00 C ATOM 564 OD1 ASP A 47 -15.751 -0.832 7.208 1.00 0.00 O ATOM 565 OD2 ASP A 47 -16.009 -0.198 5.128 1.00 0.00 O ATOM 0 H ASP A 47 -13.768 -4.331 4.503 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.699 -3.558 6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.723 -2.070 6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.293 -1.866 4.510 1.00 0.00 H new ATOM 570 N LEU A 48 -16.113 -3.642 3.327 1.00 0.00 N ATOM 571 CA LEU A 48 -17.095 -3.787 2.229 1.00 0.00 C ATOM 572 C LEU A 48 -17.774 -2.454 1.875 1.00 0.00 C ATOM 573 O LEU A 48 -18.500 -2.358 0.886 1.00 0.00 O ATOM 574 CB LEU A 48 -18.146 -4.871 2.565 1.00 0.00 C ATOM 575 CG LEU A 48 -19.102 -5.268 1.432 1.00 0.00 C ATOM 576 CD1 LEU A 48 -18.338 -5.907 0.282 1.00 0.00 C ATOM 577 CD2 LEU A 48 -20.178 -6.211 1.947 1.00 0.00 C ATOM 0 H LEU A 48 -15.144 -3.671 3.010 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.541 -4.107 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -17.620 -5.766 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -18.742 -4.520 3.408 1.00 0.00 H new ATOM 0 HG LEU A 48 -19.585 -4.364 1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -19.035 -6.181 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.606 -5.199 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.824 -6.800 0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -20.846 -6.482 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -19.712 -7.111 2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -20.748 -5.717 2.734 1.00 0.00 H new ATOM 589 N LYS A 49 -17.528 -1.435 2.673 1.00 0.00 N ATOM 590 CA LYS A 49 -18.118 -0.128 2.435 1.00 0.00 C ATOM 591 C LYS A 49 -17.099 0.789 1.782 1.00 0.00 C ATOM 592 O LYS A 49 -17.456 1.704 1.031 1.00 0.00 O ATOM 593 CB LYS A 49 -18.609 0.459 3.753 1.00 0.00 C ATOM 594 CG LYS A 49 -19.403 -0.535 4.575 1.00 0.00 C ATOM 595 CD LYS A 49 -19.630 -0.052 5.988 1.00 0.00 C ATOM 596 CE LYS A 49 -19.964 -1.215 6.906 1.00 0.00 C ATOM 597 NZ LYS A 49 -21.178 -1.950 6.468 1.00 0.00 N ATOM 0 H LYS A 49 -16.924 -1.484 3.493 1.00 0.00 H new ATOM 0 HA LYS A 49 -18.968 -0.229 1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.753 0.804 4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.228 1.332 3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -20.365 -0.715 4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.875 -1.488 4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.738 0.459 6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.442 0.675 6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.119 -1.902 6.940 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -20.113 -0.843 7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -21.463 -2.622 7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -21.950 -1.274 6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.972 -2.469 5.591 1.00 0.00 H new ATOM 611 N ILE A 50 -15.828 0.536 2.074 1.00 0.00 N ATOM 612 CA ILE A 50 -14.736 1.286 1.479 1.00 0.00 C ATOM 613 C ILE A 50 -14.720 1.070 -0.037 1.00 0.00 C ATOM 614 O ILE A 50 -14.757 -0.066 -0.512 1.00 0.00 O ATOM 615 CB ILE A 50 -13.368 0.877 2.091 1.00 0.00 C ATOM 616 CG1 ILE A 50 -13.379 1.122 3.606 1.00 0.00 C ATOM 617 CG2 ILE A 50 -12.236 1.664 1.434 1.00 0.00 C ATOM 618 CD1 ILE A 50 -12.121 0.665 4.314 1.00 0.00 C ATOM 0 H ILE A 50 -15.530 -0.190 2.726 1.00 0.00 H new ATOM 0 HA ILE A 50 -14.896 2.343 1.693 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.202 -0.184 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -13.521 2.187 3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.236 0.607 4.041 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -11.284 1.367 1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.223 1.457 0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.393 2.730 1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.208 0.873 5.380 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.987 -0.406 4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.261 1.199 3.909 1.00 0.00 H new ATOM 630 N GLU A 51 -14.674 2.161 -0.777 1.00 0.00 N ATOM 631 CA GLU A 51 -14.732 2.114 -2.224 1.00 0.00 C ATOM 632 C GLU A 51 -13.356 1.878 -2.829 1.00 0.00 C ATOM 633 O GLU A 51 -12.333 2.123 -2.192 1.00 0.00 O ATOM 634 CB GLU A 51 -15.329 3.409 -2.752 1.00 0.00 C ATOM 635 CG GLU A 51 -16.713 3.697 -2.195 1.00 0.00 C ATOM 636 CD GLU A 51 -17.162 5.108 -2.456 1.00 0.00 C ATOM 637 OE1 GLU A 51 -16.792 6.003 -1.668 1.00 0.00 O ATOM 638 OE2 GLU A 51 -17.886 5.332 -3.444 1.00 0.00 O ATOM 0 H GLU A 51 -14.596 3.103 -0.393 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.366 1.277 -2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.664 4.236 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.384 3.360 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.429 3.005 -2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.713 3.513 -1.121 1.00 0.00 H new ATOM 645 N GLN A 52 -13.347 1.409 -4.064 1.00 0.00 N ATOM 646 CA GLN A 52 -12.108 1.107 -4.768 1.00 0.00 C ATOM 647 C GLN A 52 -11.586 2.322 -5.536 1.00 0.00 C ATOM 648 O GLN A 52 -10.526 2.255 -6.163 1.00 0.00 O ATOM 649 CB GLN A 52 -12.324 -0.053 -5.738 1.00 0.00 C ATOM 650 CG GLN A 52 -13.385 0.226 -6.792 1.00 0.00 C ATOM 651 CD GLN A 52 -13.439 -0.834 -7.882 1.00 0.00 C ATOM 652 OE1 GLN A 52 -12.302 -1.424 -8.198 1.00 0.00 O flip ATOM 653 NE2 GLN A 52 -14.500 -1.101 -8.452 1.00 0.00 N flip ATOM 0 H GLN A 52 -14.191 1.227 -4.607 1.00 0.00 H new ATOM 0 HA GLN A 52 -11.364 0.830 -4.021 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -11.381 -0.281 -6.235 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.609 -0.940 -5.173 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -14.360 0.291 -6.309 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.189 1.197 -7.247 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -15.359 -0.624 -8.180 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -14.518 -1.799 -9.195 1.00 0.00 H new ATOM 662 N SER A 53 -12.359 3.415 -5.514 1.00 0.00 N ATOM 663 CA SER A 53 -11.995 4.664 -6.189 1.00 0.00 C ATOM 664 C SER A 53 -10.515 5.037 -5.976 1.00 0.00 C ATOM 665 O SER A 53 -9.979 4.897 -4.872 1.00 0.00 O ATOM 666 CB SER A 53 -12.905 5.789 -5.698 1.00 0.00 C ATOM 667 OG SER A 53 -14.271 5.460 -5.913 1.00 0.00 O ATOM 0 H SER A 53 -13.254 3.457 -5.027 1.00 0.00 H new ATOM 0 HA SER A 53 -12.131 4.517 -7.261 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.731 5.967 -4.637 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.662 6.714 -6.220 1.00 0.00 H new ATOM 0 HG SER A 53 -14.838 6.191 -5.591 1.00 0.00 H new ATOM 673 N PRO A 54 -9.845 5.533 -7.050 1.00 0.00 N ATOM 674 CA PRO A 54 -8.414 5.906 -7.022 1.00 0.00 C ATOM 675 C PRO A 54 -8.049 6.835 -5.864 1.00 0.00 C ATOM 676 O PRO A 54 -6.914 6.829 -5.388 1.00 0.00 O ATOM 677 CB PRO A 54 -8.212 6.622 -8.359 1.00 0.00 C ATOM 678 CG PRO A 54 -9.242 6.035 -9.256 1.00 0.00 C ATOM 679 CD PRO A 54 -10.437 5.758 -8.389 1.00 0.00 C ATOM 0 HA PRO A 54 -7.780 5.031 -6.878 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -8.343 7.699 -8.256 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.207 6.459 -8.749 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.496 6.724 -10.062 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.878 5.120 -9.722 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.133 6.597 -8.385 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.991 4.885 -8.735 1.00 0.00 H new ATOM 687 N GLU A 55 -9.019 7.624 -5.408 1.00 0.00 N ATOM 688 CA GLU A 55 -8.808 8.544 -4.294 1.00 0.00 C ATOM 689 C GLU A 55 -8.411 7.789 -3.022 1.00 0.00 C ATOM 690 O GLU A 55 -7.662 8.298 -2.196 1.00 0.00 O ATOM 691 CB GLU A 55 -10.063 9.381 -4.049 1.00 0.00 C ATOM 692 CG GLU A 55 -10.434 10.272 -5.223 1.00 0.00 C ATOM 693 CD GLU A 55 -11.667 11.104 -4.961 1.00 0.00 C ATOM 694 OE1 GLU A 55 -11.546 12.170 -4.328 1.00 0.00 O ATOM 695 OE2 GLU A 55 -12.762 10.699 -5.397 1.00 0.00 O ATOM 0 H GLU A 55 -9.963 7.644 -5.795 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.988 9.212 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.898 8.715 -3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.910 10.001 -3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.597 10.933 -5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.600 9.653 -6.105 1.00 0.00 H new ATOM 702 N LEU A 56 -8.909 6.568 -2.881 1.00 0.00 N ATOM 703 CA LEU A 56 -8.573 5.745 -1.730 1.00 0.00 C ATOM 704 C LEU A 56 -7.160 5.202 -1.880 1.00 0.00 C ATOM 705 O LEU A 56 -6.411 5.113 -0.910 1.00 0.00 O ATOM 706 CB LEU A 56 -9.575 4.584 -1.553 1.00 0.00 C ATOM 707 CG LEU A 56 -10.988 4.951 -1.048 1.00 0.00 C ATOM 708 CD1 LEU A 56 -10.917 5.749 0.242 1.00 0.00 C ATOM 709 CD2 LEU A 56 -11.777 5.706 -2.109 1.00 0.00 C ATOM 0 H LEU A 56 -9.544 6.128 -3.547 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.629 6.370 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.679 4.076 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.142 3.865 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.515 4.019 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.926 5.994 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.416 5.158 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.358 6.669 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.767 5.949 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.252 6.626 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.878 5.084 -2.998 1.00 0.00 H new ATOM 721 N SER A 57 -6.802 4.866 -3.113 1.00 0.00 N ATOM 722 CA SER A 57 -5.477 4.351 -3.421 1.00 0.00 C ATOM 723 C SER A 57 -4.424 5.432 -3.158 1.00 0.00 C ATOM 724 O SER A 57 -3.463 5.213 -2.419 1.00 0.00 O ATOM 725 CB SER A 57 -5.424 3.881 -4.881 1.00 0.00 C ATOM 726 OG SER A 57 -4.162 3.328 -5.204 1.00 0.00 O ATOM 0 H SER A 57 -7.419 4.943 -3.922 1.00 0.00 H new ATOM 0 HA SER A 57 -5.263 3.497 -2.778 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.203 3.138 -5.053 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.634 4.722 -5.542 1.00 0.00 H new ATOM 0 HG SER A 57 -4.162 3.037 -6.140 1.00 0.00 H new ATOM 732 N ALA A 58 -4.618 6.591 -3.784 1.00 0.00 N ATOM 733 CA ALA A 58 -3.740 7.754 -3.597 1.00 0.00 C ATOM 734 C ALA A 58 -3.421 8.008 -2.116 1.00 0.00 C ATOM 735 O ALA A 58 -2.298 8.364 -1.773 1.00 0.00 O ATOM 736 CB ALA A 58 -4.370 8.991 -4.222 1.00 0.00 C ATOM 0 H ALA A 58 -5.386 6.755 -4.435 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.797 7.535 -4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.711 9.847 -4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.519 8.824 -5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.331 9.189 -3.748 1.00 0.00 H new ATOM 742 N LYS A 59 -4.401 7.799 -1.247 1.00 0.00 N ATOM 743 CA LYS A 59 -4.207 8.023 0.180 1.00 0.00 C ATOM 744 C LYS A 59 -3.563 6.811 0.863 1.00 0.00 C ATOM 745 O LYS A 59 -2.679 6.965 1.712 1.00 0.00 O ATOM 746 CB LYS A 59 -5.533 8.371 0.858 1.00 0.00 C ATOM 747 CG LYS A 59 -6.176 9.645 0.329 1.00 0.00 C ATOM 748 CD LYS A 59 -7.442 10.008 1.101 1.00 0.00 C ATOM 749 CE LYS A 59 -8.489 8.907 1.022 1.00 0.00 C ATOM 750 NZ LYS A 59 -9.729 9.275 1.747 1.00 0.00 N ATOM 0 H LYS A 59 -5.334 7.476 -1.503 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.525 8.866 0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.228 7.542 0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.366 8.477 1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.462 10.466 0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.418 9.518 -0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.190 10.195 2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.858 10.934 0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.725 8.704 -0.023 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.082 7.987 1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.419 8.500 1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.508 9.444 2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.131 10.139 1.330 1.00 0.00 H new ATOM 764 N VAL A 60 -3.993 5.607 0.473 1.00 0.00 N ATOM 765 CA VAL A 60 -3.485 4.367 1.078 1.00 0.00 C ATOM 766 C VAL A 60 -1.984 4.169 0.809 1.00 0.00 C ATOM 767 O VAL A 60 -1.322 3.442 1.522 1.00 0.00 O ATOM 768 CB VAL A 60 -4.283 3.109 0.607 1.00 0.00 C ATOM 769 CG1 VAL A 60 -3.836 2.642 -0.771 1.00 0.00 C ATOM 770 CG2 VAL A 60 -4.169 1.980 1.622 1.00 0.00 C ATOM 0 H VAL A 60 -4.690 5.462 -0.257 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.630 4.477 2.153 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.331 3.399 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.414 1.765 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.996 3.441 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.777 2.385 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.733 1.116 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.121 1.704 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.571 2.310 2.580 1.00 0.00 H new ATOM 780 N VAL A 61 -1.460 4.829 -0.219 1.00 0.00 N ATOM 781 CA VAL A 61 -0.034 4.723 -0.545 1.00 0.00 C ATOM 782 C VAL A 61 0.719 5.968 -0.057 1.00 0.00 C ATOM 783 O VAL A 61 1.952 5.989 0.012 1.00 0.00 O ATOM 784 CB VAL A 61 0.207 4.513 -2.068 1.00 0.00 C ATOM 785 CG1 VAL A 61 -0.162 5.758 -2.867 1.00 0.00 C ATOM 786 CG2 VAL A 61 1.654 4.087 -2.345 1.00 0.00 C ATOM 0 H VAL A 61 -1.993 5.439 -0.839 1.00 0.00 H new ATOM 0 HA VAL A 61 0.350 3.843 -0.030 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.448 3.706 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.018 5.577 -3.927 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.216 5.990 -2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.447 6.598 -2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.793 3.948 -3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.335 4.859 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.863 3.151 -1.827 1.00 0.00 H new ATOM 796 N GLU A 62 -0.039 6.983 0.315 1.00 0.00 N ATOM 797 CA GLU A 62 0.530 8.244 0.758 1.00 0.00 C ATOM 798 C GLU A 62 0.942 8.139 2.220 1.00 0.00 C ATOM 799 O GLU A 62 2.126 8.258 2.555 1.00 0.00 O ATOM 800 CB GLU A 62 -0.479 9.385 0.536 1.00 0.00 C ATOM 801 CG GLU A 62 0.110 10.794 0.626 1.00 0.00 C ATOM 802 CD GLU A 62 0.208 11.313 2.042 1.00 0.00 C ATOM 803 OE1 GLU A 62 -0.831 11.727 2.595 1.00 0.00 O ATOM 804 OE2 GLU A 62 1.326 11.328 2.603 1.00 0.00 O ATOM 0 H GLU A 62 -1.059 6.958 0.319 1.00 0.00 H new ATOM 0 HA GLU A 62 1.421 8.469 0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.936 9.260 -0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.277 9.293 1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.103 10.794 0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.505 11.475 0.039 1.00 0.00 H new ATOM 811 N LYS A 63 -0.030 7.880 3.089 1.00 0.00 N ATOM 812 CA LYS A 63 0.244 7.751 4.515 1.00 0.00 C ATOM 813 C LYS A 63 1.032 6.479 4.802 1.00 0.00 C ATOM 814 O LYS A 63 1.788 6.416 5.763 1.00 0.00 O ATOM 815 CB LYS A 63 -1.054 7.771 5.333 1.00 0.00 C ATOM 816 CG LYS A 63 -2.040 6.659 4.991 1.00 0.00 C ATOM 817 CD LYS A 63 -3.284 6.719 5.876 1.00 0.00 C ATOM 818 CE LYS A 63 -4.007 8.048 5.729 1.00 0.00 C ATOM 819 NZ LYS A 63 -5.235 8.118 6.559 1.00 0.00 N ATOM 0 H LYS A 63 -1.009 7.756 2.832 1.00 0.00 H new ATOM 0 HA LYS A 63 0.848 8.608 4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.802 7.702 6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.546 8.732 5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.333 6.741 3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.554 5.691 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.959 5.905 5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.999 6.572 6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.334 8.858 6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.270 8.202 4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.692 9.042 6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.890 7.363 6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.984 7.998 7.561 1.00 0.00 H new ATOM 833 N LEU A 64 0.861 5.482 3.947 1.00 0.00 N ATOM 834 CA LEU A 64 1.555 4.207 4.083 1.00 0.00 C ATOM 835 C LEU A 64 3.064 4.410 4.098 1.00 0.00 C ATOM 836 O LEU A 64 3.750 3.967 5.017 1.00 0.00 O ATOM 837 CB LEU A 64 1.166 3.289 2.937 1.00 0.00 C ATOM 838 CG LEU A 64 1.800 1.911 2.928 1.00 0.00 C ATOM 839 CD1 LEU A 64 1.427 1.152 4.178 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.373 1.143 1.690 1.00 0.00 C ATOM 0 H LEU A 64 0.239 5.532 3.140 1.00 0.00 H new ATOM 0 HA LEU A 64 1.263 3.751 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.083 3.166 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.418 3.787 2.001 1.00 0.00 H new ATOM 0 HG LEU A 64 2.884 2.026 2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.890 0.165 4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.778 1.698 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.344 1.044 4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.835 0.156 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.288 1.036 1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.688 1.685 0.799 1.00 0.00 H new ATOM 852 N ASN A 65 3.570 5.082 3.074 1.00 0.00 N ATOM 853 CA ASN A 65 4.992 5.376 2.971 1.00 0.00 C ATOM 854 C ASN A 65 5.472 6.172 4.171 1.00 0.00 C ATOM 855 O ASN A 65 6.605 6.038 4.592 1.00 0.00 O ATOM 856 CB ASN A 65 5.283 6.136 1.678 1.00 0.00 C ATOM 857 CG ASN A 65 6.723 6.614 1.588 1.00 0.00 C ATOM 858 OD1 ASN A 65 7.602 5.766 1.090 1.00 0.00 O flip ATOM 859 ND2 ASN A 65 7.038 7.733 1.972 1.00 0.00 N flip ATOM 0 H ASN A 65 3.012 5.436 2.297 1.00 0.00 H new ATOM 0 HA ASN A 65 5.534 4.431 2.954 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.065 5.492 0.826 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.615 6.994 1.608 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.329 8.360 2.351 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.010 8.038 1.913 1.00 0.00 H new ATOM 866 N GLN A 66 4.582 6.970 4.731 1.00 0.00 N ATOM 867 CA GLN A 66 4.915 7.782 5.882 1.00 0.00 C ATOM 868 C GLN A 66 5.107 6.888 7.099 1.00 0.00 C ATOM 869 O GLN A 66 6.083 7.022 7.831 1.00 0.00 O ATOM 870 CB GLN A 66 3.822 8.822 6.139 1.00 0.00 C ATOM 871 CG GLN A 66 4.352 10.225 6.414 1.00 0.00 C ATOM 872 CD GLN A 66 4.901 10.924 5.167 1.00 0.00 C ATOM 873 OE1 GLN A 66 5.433 10.159 4.225 1.00 0.00 O flip ATOM 874 NE2 GLN A 66 4.844 12.150 5.055 1.00 0.00 N flip ATOM 0 H GLN A 66 3.621 7.072 4.405 1.00 0.00 H new ATOM 0 HA GLN A 66 5.845 8.315 5.686 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.159 8.858 5.275 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.220 8.499 6.989 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.551 10.831 6.838 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.140 10.167 7.165 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.428 12.711 5.798 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.213 12.603 4.219 1.00 0.00 H new ATOM 883 N VAL A 67 4.174 5.968 7.300 1.00 0.00 N ATOM 884 CA VAL A 67 4.263 5.017 8.403 1.00 0.00 C ATOM 885 C VAL A 67 5.492 4.121 8.237 1.00 0.00 C ATOM 886 O VAL A 67 6.261 3.920 9.177 1.00 0.00 O ATOM 887 CB VAL A 67 3.000 4.123 8.503 1.00 0.00 C ATOM 888 CG1 VAL A 67 3.044 3.268 9.759 1.00 0.00 C ATOM 889 CG2 VAL A 67 1.734 4.963 8.479 1.00 0.00 C ATOM 0 H VAL A 67 3.346 5.859 6.714 1.00 0.00 H new ATOM 0 HA VAL A 67 4.346 5.602 9.319 1.00 0.00 H new ATOM 0 HB VAL A 67 2.988 3.464 7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.148 2.649 9.809 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.926 2.629 9.733 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.089 3.913 10.637 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.863 4.311 8.550 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.740 5.654 9.322 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.689 5.527 7.547 1.00 0.00 H new ATOM 899 N CYS A 68 5.685 3.611 7.026 1.00 0.00 N ATOM 900 CA CYS A 68 6.815 2.733 6.728 1.00 0.00 C ATOM 901 C CYS A 68 8.133 3.504 6.663 1.00 0.00 C ATOM 902 O CYS A 68 9.201 2.914 6.522 1.00 0.00 O ATOM 903 CB CYS A 68 6.569 1.988 5.424 1.00 0.00 C ATOM 904 SG CYS A 68 5.009 1.045 5.402 1.00 0.00 S ATOM 0 H CYS A 68 5.072 3.790 6.231 1.00 0.00 H new ATOM 0 HA CYS A 68 6.900 2.013 7.542 1.00 0.00 H new ATOM 0 HB2 CYS A 68 6.562 2.704 4.602 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.399 1.305 5.244 1.00 0.00 H new ATOM 909 N ALA A 69 8.055 4.825 6.757 1.00 0.00 N ATOM 910 CA ALA A 69 9.255 5.650 6.795 1.00 0.00 C ATOM 911 C ALA A 69 9.730 5.759 8.228 1.00 0.00 C ATOM 912 O ALA A 69 10.882 6.100 8.504 1.00 0.00 O ATOM 913 CB ALA A 69 8.988 7.035 6.218 1.00 0.00 C ATOM 0 H ALA A 69 7.179 5.345 6.808 1.00 0.00 H new ATOM 0 HA ALA A 69 10.027 5.183 6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.901 7.629 6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.663 6.941 5.182 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.209 7.527 6.800 1.00 0.00 H new ATOM 919 N LYS A 70 8.822 5.447 9.141 1.00 0.00 N ATOM 920 CA LYS A 70 9.100 5.481 10.559 1.00 0.00 C ATOM 921 C LYS A 70 9.702 4.155 10.997 1.00 0.00 C ATOM 922 O LYS A 70 10.488 4.096 11.940 1.00 0.00 O ATOM 923 CB LYS A 70 7.810 5.753 11.336 1.00 0.00 C ATOM 924 CG LYS A 70 7.135 7.067 10.970 1.00 0.00 C ATOM 925 CD LYS A 70 5.707 7.167 11.521 1.00 0.00 C ATOM 926 CE LYS A 70 5.660 7.184 13.049 1.00 0.00 C ATOM 927 NZ LYS A 70 5.711 5.818 13.634 1.00 0.00 N ATOM 0 H LYS A 70 7.869 5.163 8.912 1.00 0.00 H new ATOM 0 HA LYS A 70 9.812 6.280 10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.111 4.935 11.159 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.034 5.756 12.403 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.728 7.896 11.355 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.110 7.169 9.885 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.237 8.073 11.138 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.121 6.324 11.154 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.497 7.770 13.429 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.747 7.682 13.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.964 5.719 14.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.565 5.113 12.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.639 5.665 14.077 1.00 0.00 H new ATOM 941 N ASP A 71 9.338 3.092 10.289 1.00 0.00 N ATOM 942 CA ASP A 71 9.833 1.756 10.583 1.00 0.00 C ATOM 943 C ASP A 71 10.126 1.024 9.276 1.00 0.00 C ATOM 944 O ASP A 71 9.208 0.581 8.587 1.00 0.00 O ATOM 945 CB ASP A 71 8.819 0.955 11.420 1.00 0.00 C ATOM 946 CG ASP A 71 8.691 1.461 12.845 1.00 0.00 C ATOM 947 OD1 ASP A 71 9.543 1.107 13.688 1.00 0.00 O ATOM 948 OD2 ASP A 71 7.740 2.211 13.136 1.00 0.00 O ATOM 0 H ASP A 71 8.694 3.133 9.499 1.00 0.00 H new ATOM 0 HA ASP A 71 10.749 1.848 11.167 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.843 0.998 10.936 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.119 -0.093 11.438 1.00 0.00 H new ATOM 953 N PRO A 72 11.415 0.888 8.920 1.00 0.00 N ATOM 954 CA PRO A 72 11.833 0.269 7.649 1.00 0.00 C ATOM 955 C PRO A 72 11.494 -1.223 7.555 1.00 0.00 C ATOM 956 O PRO A 72 11.489 -1.796 6.471 1.00 0.00 O ATOM 957 CB PRO A 72 13.354 0.471 7.631 1.00 0.00 C ATOM 958 CG PRO A 72 13.733 0.642 9.062 1.00 0.00 C ATOM 959 CD PRO A 72 12.572 1.328 9.723 1.00 0.00 C ATOM 0 HA PRO A 72 11.312 0.720 6.804 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.861 -0.386 7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.630 1.345 7.042 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.933 -0.322 9.530 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.642 1.237 9.156 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.472 1.033 10.768 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.683 2.412 9.707 1.00 0.00 H new ATOM 967 N GLN A 73 11.225 -1.846 8.695 1.00 0.00 N ATOM 968 CA GLN A 73 10.893 -3.275 8.740 1.00 0.00 C ATOM 969 C GLN A 73 9.489 -3.541 8.220 1.00 0.00 C ATOM 970 O GLN A 73 9.098 -4.693 8.033 1.00 0.00 O ATOM 971 CB GLN A 73 10.991 -3.783 10.166 1.00 0.00 C ATOM 972 CG GLN A 73 12.301 -3.462 10.835 1.00 0.00 C ATOM 973 CD GLN A 73 12.275 -3.752 12.309 1.00 0.00 C ATOM 974 OE1 GLN A 73 11.601 -4.673 12.769 1.00 0.00 O ATOM 975 NE2 GLN A 73 12.962 -2.944 13.058 1.00 0.00 N ATOM 0 H GLN A 73 11.229 -1.388 9.606 1.00 0.00 H new ATOM 0 HA GLN A 73 11.605 -3.797 8.101 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.179 -3.353 10.752 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.848 -4.864 10.168 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.097 -4.041 10.367 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.538 -2.410 10.678 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.507 -2.194 12.633 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.957 -3.060 14.071 1.00 0.00 H new ATOM 984 N MET A 74 8.736 -2.489 7.995 1.00 0.00 N ATOM 985 CA MET A 74 7.362 -2.633 7.534 1.00 0.00 C ATOM 986 C MET A 74 7.307 -2.987 6.051 1.00 0.00 C ATOM 987 O MET A 74 7.526 -2.134 5.182 1.00 0.00 O ATOM 988 CB MET A 74 6.553 -1.363 7.804 1.00 0.00 C ATOM 989 CG MET A 74 6.366 -1.052 9.281 1.00 0.00 C ATOM 990 SD MET A 74 5.337 0.403 9.564 1.00 0.00 S ATOM 991 CE MET A 74 3.784 -0.138 8.852 1.00 0.00 C ATOM 0 H MET A 74 9.044 -1.525 8.121 1.00 0.00 H new ATOM 0 HA MET A 74 6.917 -3.453 8.097 1.00 0.00 H new ATOM 0 HB2 MET A 74 7.050 -0.519 7.325 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.573 -1.462 7.337 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.914 -1.912 9.774 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.342 -0.897 9.741 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.972 0.075 9.547 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.609 0.392 7.916 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.826 -1.210 8.660 1.00 0.00 H new ATOM 1001 N LEU A 75 7.029 -4.252 5.770 1.00 0.00 N ATOM 1002 CA LEU A 75 6.905 -4.723 4.401 1.00 0.00 C ATOM 1003 C LEU A 75 5.568 -4.275 3.831 1.00 0.00 C ATOM 1004 O LEU A 75 4.568 -4.238 4.548 1.00 0.00 O ATOM 1005 CB LEU A 75 7.020 -6.249 4.342 1.00 0.00 C ATOM 1006 CG LEU A 75 8.329 -6.843 4.877 1.00 0.00 C ATOM 1007 CD1 LEU A 75 8.282 -8.359 4.835 1.00 0.00 C ATOM 1008 CD2 LEU A 75 9.519 -6.330 4.083 1.00 0.00 C ATOM 0 H LEU A 75 6.885 -4.973 6.477 1.00 0.00 H new ATOM 0 HA LEU A 75 7.713 -4.298 3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.192 -6.679 4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.898 -6.564 3.306 1.00 0.00 H new ATOM 0 HG LEU A 75 8.446 -6.527 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.219 -8.763 5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.455 -8.715 5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.138 -8.690 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.436 -6.765 4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.407 -6.613 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.568 -5.244 4.162 1.00 0.00 H new ATOM 1020 N LEU A 76 5.560 -3.955 2.545 1.00 0.00 N ATOM 1021 CA LEU A 76 4.372 -3.449 1.861 1.00 0.00 C ATOM 1022 C LEU A 76 3.171 -4.370 2.057 1.00 0.00 C ATOM 1023 O LEU A 76 2.080 -3.917 2.396 1.00 0.00 O ATOM 1024 CB LEU A 76 4.665 -3.291 0.364 1.00 0.00 C ATOM 1025 CG LEU A 76 3.578 -2.612 -0.469 1.00 0.00 C ATOM 1026 CD1 LEU A 76 3.449 -1.151 -0.086 1.00 0.00 C ATOM 1027 CD2 LEU A 76 3.879 -2.750 -1.954 1.00 0.00 C ATOM 0 H LEU A 76 6.378 -4.038 1.942 1.00 0.00 H new ATOM 0 HA LEU A 76 4.124 -2.481 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.587 -2.721 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.850 -4.280 -0.055 1.00 0.00 H new ATOM 0 HG LEU A 76 2.629 -3.106 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.671 -0.684 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.186 -1.073 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.398 -0.644 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.095 -2.261 -2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.838 -2.282 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.920 -3.806 -2.220 1.00 0.00 H new ATOM 1039 N ILE A 77 3.394 -5.665 1.868 1.00 0.00 N ATOM 1040 CA ILE A 77 2.339 -6.665 1.979 1.00 0.00 C ATOM 1041 C ILE A 77 1.588 -6.568 3.326 1.00 0.00 C ATOM 1042 O ILE A 77 0.355 -6.577 3.361 1.00 0.00 O ATOM 1043 CB ILE A 77 2.902 -8.107 1.766 1.00 0.00 C ATOM 1044 CG1 ILE A 77 1.779 -9.146 1.756 1.00 0.00 C ATOM 1045 CG2 ILE A 77 3.959 -8.461 2.805 1.00 0.00 C ATOM 1046 CD1 ILE A 77 0.895 -9.072 0.530 1.00 0.00 C ATOM 0 H ILE A 77 4.309 -6.051 1.634 1.00 0.00 H new ATOM 0 HA ILE A 77 1.620 -6.456 1.187 1.00 0.00 H new ATOM 0 HB ILE A 77 3.384 -8.121 0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.217 -10.142 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.164 -9.012 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.325 -9.471 2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.788 -7.757 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.521 -8.409 3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.122 -9.838 0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.428 -8.088 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.497 -9.236 -0.363 1.00 0.00 H new ATOM 1058 N THR A 78 2.335 -6.465 4.419 1.00 0.00 N ATOM 1059 CA THR A 78 1.743 -6.365 5.741 1.00 0.00 C ATOM 1060 C THR A 78 1.241 -4.949 6.015 1.00 0.00 C ATOM 1061 O THR A 78 0.142 -4.756 6.532 1.00 0.00 O ATOM 1062 CB THR A 78 2.773 -6.745 6.822 1.00 0.00 C ATOM 1063 OG1 THR A 78 3.471 -7.934 6.422 1.00 0.00 O ATOM 1064 CG2 THR A 78 2.091 -6.988 8.158 1.00 0.00 C ATOM 0 H THR A 78 3.355 -6.449 4.412 1.00 0.00 H new ATOM 0 HA THR A 78 0.900 -7.055 5.774 1.00 0.00 H new ATOM 0 HB THR A 78 3.476 -5.919 6.935 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.127 -8.175 7.109 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.839 -7.255 8.905 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.572 -6.082 8.472 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.373 -7.802 8.057 1.00 0.00 H new ATOM 1072 N ALA A 79 2.060 -3.971 5.667 1.00 0.00 N ATOM 1073 CA ALA A 79 1.742 -2.569 5.895 1.00 0.00 C ATOM 1074 C ALA A 79 0.403 -2.152 5.278 1.00 0.00 C ATOM 1075 O ALA A 79 -0.364 -1.423 5.904 1.00 0.00 O ATOM 1076 CB ALA A 79 2.864 -1.698 5.392 1.00 0.00 C ATOM 0 H ALA A 79 2.963 -4.125 5.219 1.00 0.00 H new ATOM 0 HA ALA A 79 1.635 -2.433 6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.618 -0.651 5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.784 -1.948 5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.003 -1.865 4.324 1.00 0.00 H new ATOM 1082 N ILE A 80 0.121 -2.611 4.057 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.161 -2.294 3.411 1.00 0.00 C ATOM 1084 C ILE A 80 -2.316 -2.808 4.264 1.00 0.00 C ATOM 1085 O ILE A 80 -3.306 -2.105 4.489 1.00 0.00 O ATOM 1086 CB ILE A 80 -1.264 -2.903 1.987 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -0.182 -2.322 1.070 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -2.652 -2.655 1.395 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -0.172 -2.922 -0.320 1.00 0.00 C ATOM 0 H ILE A 80 0.748 -3.193 3.501 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.216 -1.209 3.318 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.108 -3.979 2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.327 -1.245 0.990 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.794 -2.479 1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.705 -3.089 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.407 -3.116 2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.835 -1.582 1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.620 -2.461 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.005 -3.995 -0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.134 -2.742 -0.801 1.00 0.00 H new ATOM 1101 N ASP A 81 -2.161 -4.029 4.758 1.00 0.00 N ATOM 1102 CA ASP A 81 -3.161 -4.663 5.614 1.00 0.00 C ATOM 1103 C ASP A 81 -3.320 -3.873 6.910 1.00 0.00 C ATOM 1104 O ASP A 81 -4.426 -3.684 7.410 1.00 0.00 O ATOM 1105 CB ASP A 81 -2.742 -6.105 5.920 1.00 0.00 C ATOM 1106 CG ASP A 81 -3.716 -6.831 6.827 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -4.677 -7.435 6.311 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -3.506 -6.825 8.058 1.00 0.00 O ATOM 0 H ASP A 81 -1.341 -4.609 4.579 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.119 -4.675 5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.648 -6.655 4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.757 -6.099 6.386 1.00 0.00 H new ATOM 1113 N ASP A 82 -2.203 -3.389 7.431 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.202 -2.608 8.661 1.00 0.00 C ATOM 1115 C ASP A 82 -2.858 -1.245 8.430 1.00 0.00 C ATOM 1116 O ASP A 82 -3.512 -0.700 9.316 1.00 0.00 O ATOM 1117 CB ASP A 82 -0.776 -2.434 9.188 1.00 0.00 C ATOM 1118 CG ASP A 82 -0.744 -1.930 10.617 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -0.985 -2.740 11.539 1.00 0.00 O ATOM 1120 OD2 ASP A 82 -0.480 -0.734 10.832 1.00 0.00 O ATOM 0 H ASP A 82 -1.280 -3.524 7.019 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.781 -3.148 9.411 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.252 -3.388 9.131 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.238 -1.735 8.547 1.00 0.00 H new ATOM 1125 N THR A 83 -2.688 -0.707 7.233 1.00 0.00 N ATOM 1126 CA THR A 83 -3.299 0.559 6.869 1.00 0.00 C ATOM 1127 C THR A 83 -4.817 0.418 6.853 1.00 0.00 C ATOM 1128 O THR A 83 -5.550 1.368 7.136 1.00 0.00 O ATOM 1129 CB THR A 83 -2.797 1.052 5.493 1.00 0.00 C ATOM 1130 OG1 THR A 83 -1.371 1.106 5.504 1.00 0.00 O ATOM 1131 CG2 THR A 83 -3.344 2.440 5.177 1.00 0.00 C ATOM 0 H THR A 83 -2.128 -1.131 6.494 1.00 0.00 H new ATOM 0 HA THR A 83 -3.012 1.300 7.615 1.00 0.00 H new ATOM 0 HB THR A 83 -3.146 0.357 4.729 1.00 0.00 H new ATOM 0 HG1 THR A 83 -1.009 0.195 5.504 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.976 2.763 4.203 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.433 2.407 5.160 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.015 3.144 5.942 1.00 0.00 H new ATOM 1139 N MET A 84 -5.284 -0.789 6.545 1.00 0.00 N ATOM 1140 CA MET A 84 -6.710 -1.082 6.563 1.00 0.00 C ATOM 1141 C MET A 84 -7.245 -0.940 7.973 1.00 0.00 C ATOM 1142 O MET A 84 -8.402 -0.631 8.169 1.00 0.00 O ATOM 1143 CB MET A 84 -6.976 -2.490 6.073 1.00 0.00 C ATOM 1144 CG MET A 84 -6.452 -2.788 4.693 1.00 0.00 C ATOM 1145 SD MET A 84 -6.501 -4.542 4.349 1.00 0.00 S ATOM 1146 CE MET A 84 -8.029 -4.982 5.179 1.00 0.00 C ATOM 0 H MET A 84 -4.694 -1.578 6.280 1.00 0.00 H new ATOM 0 HA MET A 84 -7.211 -0.376 5.901 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.530 -3.194 6.775 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.052 -2.666 6.084 1.00 0.00 H new ATOM 0 HG2 MET A 84 -7.046 -2.252 3.952 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.428 -2.425 4.604 1.00 0.00 H new ATOM 0 HE1 MET A 84 -8.342 -5.976 4.861 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.871 -4.978 6.258 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.803 -4.259 4.923 1.00 0.00 H new ATOM 1156 N ARG A 85 -6.380 -1.172 8.951 1.00 0.00 N ATOM 1157 CA ARG A 85 -6.745 -1.020 10.352 1.00 0.00 C ATOM 1158 C ARG A 85 -6.927 0.458 10.658 1.00 0.00 C ATOM 1159 O ARG A 85 -7.881 0.853 11.322 1.00 0.00 O ATOM 1160 CB ARG A 85 -5.659 -1.598 11.263 1.00 0.00 C ATOM 1161 CG ARG A 85 -5.305 -3.050 10.981 1.00 0.00 C ATOM 1162 CD ARG A 85 -4.108 -3.492 11.813 1.00 0.00 C ATOM 1163 NE ARG A 85 -4.388 -3.437 13.249 1.00 0.00 N ATOM 1164 CZ ARG A 85 -3.516 -3.046 14.188 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -2.283 -2.665 13.856 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -3.884 -3.047 15.463 1.00 0.00 N ATOM 0 H ARG A 85 -5.416 -1.468 8.798 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.673 -1.561 10.535 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.759 -0.992 11.163 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.988 -1.512 12.299 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.162 -3.686 11.203 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.082 -3.174 9.921 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.830 -4.509 11.537 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.253 -2.855 11.586 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.318 -3.718 13.558 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.994 -2.669 12.878 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.628 -2.369 14.580 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.825 -3.344 15.722 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.226 -2.751 16.184 1.00 0.00 H new ATOM 1180 N ALA A 86 -5.992 1.266 10.161 1.00 0.00 N ATOM 1181 CA ALA A 86 -6.028 2.709 10.343 1.00 0.00 C ATOM 1182 C ALA A 86 -7.260 3.322 9.684 1.00 0.00 C ATOM 1183 O ALA A 86 -7.918 4.181 10.266 1.00 0.00 O ATOM 1184 CB ALA A 86 -4.757 3.345 9.795 1.00 0.00 C ATOM 0 H ALA A 86 -5.191 0.936 9.622 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.088 2.910 11.413 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.799 4.425 9.939 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.892 2.942 10.322 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.669 3.124 8.731 1.00 0.00 H new ATOM 1190 N ILE A 87 -7.565 2.892 8.463 1.00 0.00 N ATOM 1191 CA ILE A 87 -8.750 3.384 7.763 1.00 0.00 C ATOM 1192 C ILE A 87 -10.006 2.750 8.360 1.00 0.00 C ATOM 1193 O ILE A 87 -11.061 3.386 8.456 1.00 0.00 O ATOM 1194 CB ILE A 87 -8.682 3.073 6.248 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -7.401 3.659 5.645 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -9.911 3.626 5.527 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -7.201 3.313 4.188 1.00 0.00 C ATOM 0 H ILE A 87 -7.015 2.210 7.941 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.787 4.466 7.887 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.668 1.991 6.118 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.423 4.744 5.752 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.544 3.300 6.215 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.843 3.396 4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.811 3.170 5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.957 4.707 5.663 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.274 3.762 3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.146 2.230 4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.038 3.696 3.605 1.00 0.00 H new ATOM 1209 N GLY A 88 -9.866 1.493 8.765 1.00 0.00 N ATOM 1210 CA GLY A 88 -10.944 0.752 9.407 1.00 0.00 C ATOM 1211 C GLY A 88 -11.297 1.298 10.790 1.00 0.00 C ATOM 1212 O GLY A 88 -12.130 0.721 11.505 1.00 0.00 O ATOM 0 H GLY A 88 -9.003 0.960 8.658 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.829 0.784 8.772 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.655 -0.295 9.498 1.00 0.00 H new ATOM 1216 N LYS A 89 -10.654 2.391 11.171 1.00 0.00 N ATOM 1217 CA LYS A 89 -10.923 3.031 12.440 1.00 0.00 C ATOM 1218 C LYS A 89 -12.243 3.776 12.364 1.00 0.00 C ATOM 1219 O LYS A 89 -12.465 4.571 11.443 1.00 0.00 O ATOM 1220 CB LYS A 89 -9.800 3.992 12.820 1.00 0.00 C ATOM 1221 CG LYS A 89 -10.034 4.712 14.136 1.00 0.00 C ATOM 1222 CD LYS A 89 -8.907 5.668 14.457 1.00 0.00 C ATOM 1223 CE LYS A 89 -9.163 6.396 15.763 1.00 0.00 C ATOM 1224 NZ LYS A 89 -8.027 7.267 16.142 1.00 0.00 N ATOM 0 H LYS A 89 -9.937 2.853 10.611 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.982 2.262 13.210 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.864 3.437 12.881 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.682 4.731 12.027 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.975 5.261 14.089 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.131 3.981 14.939 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.968 5.119 14.521 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.799 6.392 13.649 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.067 6.998 15.672 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.343 5.669 16.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.242 7.746 17.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.169 6.690 16.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.871 7.978 15.399 1.00 0.00 H new ATOM 1238 N LYS A 90 -13.113 3.518 13.312 1.00 0.00 N ATOM 1239 CA LYS A 90 -14.423 4.124 13.335 1.00 0.00 C ATOM 1240 C LYS A 90 -14.914 4.285 14.765 1.00 0.00 C ATOM 1241 O LYS A 90 -15.487 3.327 15.319 1.00 0.00 O ATOM 1242 CB LYS A 90 -15.410 3.294 12.498 1.00 0.00 C ATOM 1243 CG LYS A 90 -15.299 1.792 12.718 1.00 0.00 C ATOM 1244 CD LYS A 90 -16.267 1.031 11.841 1.00 0.00 C ATOM 1245 CE LYS A 90 -16.136 -0.468 12.038 1.00 0.00 C ATOM 1246 NZ LYS A 90 -16.404 -0.879 13.441 1.00 0.00 N ATOM 1247 OXT LYS A 90 -14.719 5.371 15.334 1.00 0.00 O ATOM 0 H LYS A 90 -12.932 2.882 14.089 1.00 0.00 H new ATOM 0 HA LYS A 90 -14.356 5.118 12.892 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -16.426 3.611 12.733 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -15.245 3.509 11.442 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.281 1.466 12.506 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -15.496 1.561 13.765 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -17.287 1.341 12.069 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -16.084 1.279 10.795 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -16.830 -0.981 11.373 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.131 -0.783 11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -16.504 -1.913 13.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.614 -0.580 14.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.283 -0.432 13.772 1.00 0.00 H new TER 1261 LYS A 90