USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 26 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 6:sc= 0.433 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00699 USER MOD Single : A 33 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.0014) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.038 USER MOD Single : A 40 TYR OH : rot -12:sc= 0.0852 USER MOD Single : A 43 GLN : amide:sc=-0.00973 K(o=-0.0097,f=-0.89) USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.21) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 88:sc= 1.16 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.3!) USER MOD Single : A 62 MET CE :methyl -149:sc= -0.36 (180deg=-0.494) USER MOD Single : A 63 LYS NZ :NH3+ 154:sc= 1.29 (180deg=1.04) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 87:sc= 1.23 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc=-0.00884 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 72:sc= 0.763 USER MOD Single : A 81 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.14) USER MOD Single : A 84 HIS : no HD1:sc= -2.19 K(o=-2.2,f=-0.13) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 94 ASN : amide:sc= 0.111 X(o=0.11,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 12.782 21.542 -4.878 1.00 10.00 N ATOM 2 CA GLY A 25 12.477 21.554 -6.294 1.00 10.00 C ATOM 3 C GLY A 25 11.532 20.435 -6.683 1.00 10.00 C ATOM 4 O GLY A 25 10.677 20.607 -7.551 1.00 10.00 O ATOM 0 HA2 GLY A 25 12.032 22.513 -6.560 1.00 10.00 H new ATOM 0 HA3 GLY A 25 13.401 21.462 -6.864 1.00 10.00 H new ATOM 8 N SER A 26 11.686 19.286 -6.039 1.00 10.00 N ATOM 9 CA SER A 26 10.837 18.127 -6.311 1.00 10.00 C ATOM 10 C SER A 26 10.676 17.289 -5.047 1.00 10.00 C ATOM 11 O SER A 26 11.634 17.115 -4.293 1.00 10.00 O ATOM 12 CB SER A 26 11.433 17.270 -7.432 1.00 10.00 C ATOM 13 OG SER A 26 12.515 17.934 -8.078 1.00 10.00 O ATOM 0 H SER A 26 12.393 19.128 -5.321 1.00 10.00 H new ATOM 0 HA SER A 26 9.859 18.485 -6.631 1.00 10.00 H new ATOM 0 HB2 SER A 26 11.780 16.322 -7.021 1.00 10.00 H new ATOM 0 HB3 SER A 26 10.659 17.037 -8.163 1.00 10.00 H new ATOM 0 HG SER A 26 12.874 17.361 -8.787 1.00 10.00 H new ATOM 19 N SER A 27 9.476 16.773 -4.816 1.00 10.00 N ATOM 20 CA SER A 27 9.220 15.960 -3.639 1.00 10.00 C ATOM 21 C SER A 27 9.842 14.576 -3.802 1.00 10.00 C ATOM 22 O SER A 27 9.897 14.036 -4.911 1.00 10.00 O ATOM 23 CB SER A 27 7.715 15.838 -3.404 1.00 10.00 C ATOM 24 OG SER A 27 7.116 17.122 -3.294 1.00 10.00 O ATOM 0 H SER A 27 8.669 16.903 -5.426 1.00 10.00 H new ATOM 0 HA SER A 27 9.674 16.444 -2.775 1.00 10.00 H new ATOM 0 HB2 SER A 27 7.257 15.287 -4.226 1.00 10.00 H new ATOM 0 HB3 SER A 27 7.529 15.266 -2.495 1.00 10.00 H new ATOM 0 HG SER A 27 6.152 17.022 -3.146 1.00 10.00 H new ATOM 30 N GLY A 28 10.324 14.017 -2.704 1.00 10.00 N ATOM 31 CA GLY A 28 10.942 12.710 -2.748 1.00 10.00 C ATOM 32 C GLY A 28 11.989 12.538 -1.674 1.00 10.00 C ATOM 33 O GLY A 28 12.600 13.513 -1.230 1.00 10.00 O ATOM 0 H GLY A 28 10.298 14.447 -1.780 1.00 10.00 H new ATOM 0 HA2 GLY A 28 10.176 11.944 -2.632 1.00 10.00 H new ATOM 0 HA3 GLY A 28 11.399 12.559 -3.726 1.00 10.00 H new ATOM 37 N SER A 29 12.187 11.305 -1.240 1.00 10.00 N ATOM 38 CA SER A 29 13.174 10.995 -0.216 1.00 10.00 C ATOM 39 C SER A 29 13.694 9.572 -0.397 1.00 10.00 C ATOM 40 O SER A 29 13.175 8.624 0.200 1.00 10.00 O ATOM 41 CB SER A 29 12.573 11.172 1.186 1.00 10.00 C ATOM 42 OG SER A 29 12.339 12.542 1.473 1.00 10.00 O ATOM 0 H SER A 29 11.673 10.494 -1.584 1.00 10.00 H new ATOM 0 HA SER A 29 14.009 11.688 -0.320 1.00 10.00 H new ATOM 0 HB2 SER A 29 11.637 10.618 1.256 1.00 10.00 H new ATOM 0 HB3 SER A 29 13.249 10.752 1.930 1.00 10.00 H new ATOM 0 HG SER A 29 12.530 13.080 0.677 1.00 10.00 H new ATOM 48 N SER A 30 14.700 9.425 -1.248 1.00 10.00 N ATOM 49 CA SER A 30 15.295 8.126 -1.519 1.00 10.00 C ATOM 50 C SER A 30 16.028 7.586 -0.291 1.00 10.00 C ATOM 51 O SER A 30 16.551 8.352 0.519 1.00 10.00 O ATOM 52 CB SER A 30 16.265 8.247 -2.695 1.00 10.00 C ATOM 53 OG SER A 30 15.741 9.103 -3.698 1.00 10.00 O ATOM 0 H SER A 30 15.123 10.196 -1.765 1.00 10.00 H new ATOM 0 HA SER A 30 14.498 7.426 -1.769 1.00 10.00 H new ATOM 0 HB2 SER A 30 17.222 8.634 -2.344 1.00 10.00 H new ATOM 0 HB3 SER A 30 16.456 7.260 -3.117 1.00 10.00 H new ATOM 0 HG SER A 30 16.379 9.167 -4.439 1.00 10.00 H new ATOM 59 N GLY A 31 16.041 6.267 -0.149 1.00 10.00 N ATOM 60 CA GLY A 31 16.722 5.650 0.969 1.00 10.00 C ATOM 61 C GLY A 31 15.760 5.091 1.993 1.00 10.00 C ATOM 62 O GLY A 31 15.449 5.752 2.986 1.00 10.00 O ATOM 0 H GLY A 31 15.591 5.614 -0.790 1.00 10.00 H new ATOM 0 HA2 GLY A 31 17.364 4.849 0.603 1.00 10.00 H new ATOM 0 HA3 GLY A 31 17.370 6.385 1.447 1.00 10.00 H new ATOM 66 N VAL A 32 15.274 3.885 1.751 1.00 10.00 N ATOM 67 CA VAL A 32 14.349 3.243 2.676 1.00 10.00 C ATOM 68 C VAL A 32 15.045 2.099 3.406 1.00 10.00 C ATOM 69 O VAL A 32 16.041 1.550 2.918 1.00 10.00 O ATOM 70 CB VAL A 32 13.082 2.715 1.964 1.00 10.00 C ATOM 71 CG1 VAL A 32 12.258 3.868 1.409 1.00 10.00 C ATOM 72 CG2 VAL A 32 13.446 1.746 0.854 1.00 10.00 C ATOM 0 H VAL A 32 15.502 3.331 0.926 1.00 10.00 H new ATOM 0 HA VAL A 32 14.033 4.000 3.393 1.00 10.00 H new ATOM 0 HB VAL A 32 12.482 2.181 2.701 1.00 10.00 H new ATOM 0 HG11 VAL A 32 11.371 3.475 0.912 1.00 10.00 H new ATOM 0 HG12 VAL A 32 11.956 4.525 2.225 1.00 10.00 H new ATOM 0 HG13 VAL A 32 12.856 4.431 0.692 1.00 10.00 H new ATOM 0 HG21 VAL A 32 12.537 1.390 0.370 1.00 10.00 H new ATOM 0 HG22 VAL A 32 14.074 2.252 0.120 1.00 10.00 H new ATOM 0 HG23 VAL A 32 13.989 0.899 1.274 1.00 10.00 H new ATOM 82 N HIS A 33 14.532 1.750 4.576 1.00 10.00 N ATOM 83 CA HIS A 33 15.108 0.674 5.374 1.00 10.00 C ATOM 84 C HIS A 33 14.268 -0.592 5.236 1.00 10.00 C ATOM 85 O HIS A 33 13.294 -0.616 4.487 1.00 10.00 O ATOM 86 CB HIS A 33 15.219 1.086 6.849 1.00 10.00 C ATOM 87 CG HIS A 33 16.296 2.095 7.110 1.00 10.00 C ATOM 88 ND1 HIS A 33 16.137 3.096 8.037 1.00 10.00 N ATOM 89 CD2 HIS A 33 17.522 2.208 6.542 1.00 10.00 C ATOM 90 CE1 HIS A 33 17.263 3.792 8.012 1.00 10.00 C ATOM 91 NE2 HIS A 33 18.126 3.290 7.121 1.00 10.00 N ATOM 0 H HIS A 33 13.717 2.196 4.996 1.00 10.00 H new ATOM 0 HA HIS A 33 16.112 0.471 5.003 1.00 10.00 H new ATOM 0 HB2 HIS A 33 14.263 1.494 7.177 1.00 10.00 H new ATOM 0 HB3 HIS A 33 15.410 0.198 7.452 1.00 10.00 H new ATOM 0 HD2 HIS A 33 17.941 1.568 5.780 1.00 10.00 H new ATOM 0 HE1 HIS A 33 17.460 4.655 8.631 1.00 10.00 H new ATOM 0 HE2 HIS A 33 19.059 3.647 6.913 1.00 10.00 H new ATOM 99 N VAL A 34 14.656 -1.641 5.950 1.00 10.00 N ATOM 100 CA VAL A 34 13.933 -2.914 5.907 1.00 10.00 C ATOM 101 C VAL A 34 12.527 -2.777 6.479 1.00 10.00 C ATOM 102 O VAL A 34 11.617 -3.510 6.096 1.00 10.00 O ATOM 103 CB VAL A 34 14.693 -4.030 6.658 1.00 10.00 C ATOM 104 CG1 VAL A 34 15.865 -4.527 5.832 1.00 10.00 C ATOM 105 CG2 VAL A 34 15.176 -3.549 8.025 1.00 10.00 C ATOM 0 H VAL A 34 15.468 -1.639 6.568 1.00 10.00 H new ATOM 0 HA VAL A 34 13.859 -3.193 4.856 1.00 10.00 H new ATOM 0 HB VAL A 34 13.999 -4.856 6.816 1.00 10.00 H new ATOM 0 HG11 VAL A 34 16.388 -5.313 6.378 1.00 10.00 H new ATOM 0 HG12 VAL A 34 15.500 -4.924 4.885 1.00 10.00 H new ATOM 0 HG13 VAL A 34 16.550 -3.702 5.639 1.00 10.00 H new ATOM 0 HG21 VAL A 34 15.707 -4.357 8.528 1.00 10.00 H new ATOM 0 HG22 VAL A 34 15.847 -2.699 7.896 1.00 10.00 H new ATOM 0 HG23 VAL A 34 14.320 -3.247 8.628 1.00 10.00 H new ATOM 115 N GLU A 35 12.347 -1.824 7.381 1.00 10.00 N ATOM 116 CA GLU A 35 11.046 -1.584 7.989 1.00 10.00 C ATOM 117 C GLU A 35 10.352 -0.407 7.312 1.00 10.00 C ATOM 118 O GLU A 35 10.582 0.749 7.668 1.00 10.00 O ATOM 119 CB GLU A 35 11.204 -1.321 9.484 1.00 10.00 C ATOM 120 CG GLU A 35 11.780 -2.500 10.254 1.00 10.00 C ATOM 121 CD GLU A 35 12.044 -2.174 11.708 1.00 10.00 C ATOM 122 OE1 GLU A 35 11.071 -1.996 12.469 1.00 10.00 O ATOM 123 OE2 GLU A 35 13.228 -2.092 12.097 1.00 10.00 O ATOM 0 H GLU A 35 13.087 -1.203 7.709 1.00 10.00 H new ATOM 0 HA GLU A 35 10.428 -2.472 7.855 1.00 10.00 H new ATOM 0 HB2 GLU A 35 11.851 -0.455 9.625 1.00 10.00 H new ATOM 0 HB3 GLU A 35 10.231 -1.064 9.904 1.00 10.00 H new ATOM 0 HG2 GLU A 35 11.089 -3.341 10.194 1.00 10.00 H new ATOM 0 HG3 GLU A 35 12.710 -2.818 9.782 1.00 10.00 H new ATOM 130 N ASP A 36 9.531 -0.705 6.319 1.00 10.00 N ATOM 131 CA ASP A 36 8.800 0.323 5.585 1.00 10.00 C ATOM 132 C ASP A 36 7.323 0.297 5.965 1.00 10.00 C ATOM 133 O ASP A 36 6.570 1.222 5.652 1.00 10.00 O ATOM 134 CB ASP A 36 8.951 0.104 4.077 1.00 10.00 C ATOM 135 CG ASP A 36 8.131 -1.073 3.583 1.00 10.00 C ATOM 136 OD1 ASP A 36 7.159 -0.855 2.831 1.00 10.00 O ATOM 137 OD2 ASP A 36 8.451 -2.217 3.961 1.00 10.00 O ATOM 0 H ASP A 36 9.351 -1.656 5.998 1.00 10.00 H new ATOM 0 HA ASP A 36 9.215 1.296 5.847 1.00 10.00 H new ATOM 0 HB2 ASP A 36 8.643 1.006 3.548 1.00 10.00 H new ATOM 0 HB3 ASP A 36 10.002 -0.062 3.839 1.00 10.00 H new ATOM 142 N ALA A 37 6.929 -0.758 6.669 1.00 10.00 N ATOM 143 CA ALA A 37 5.550 -0.943 7.106 1.00 10.00 C ATOM 144 C ALA A 37 5.020 0.260 7.889 1.00 10.00 C ATOM 145 O ALA A 37 3.964 0.809 7.571 1.00 10.00 O ATOM 146 CB ALA A 37 5.450 -2.200 7.957 1.00 10.00 C ATOM 0 H ALA A 37 7.557 -1.510 6.953 1.00 10.00 H new ATOM 0 HA ALA A 37 4.933 -1.043 6.213 1.00 10.00 H new ATOM 0 HB1 ALA A 37 4.419 -2.337 8.283 1.00 10.00 H new ATOM 0 HB2 ALA A 37 5.763 -3.063 7.369 1.00 10.00 H new ATOM 0 HB3 ALA A 37 6.096 -2.101 8.829 1.00 10.00 H new ATOM 152 N LEU A 38 5.781 0.688 8.889 1.00 10.00 N ATOM 153 CA LEU A 38 5.390 1.810 9.738 1.00 10.00 C ATOM 154 C LEU A 38 5.445 3.144 8.989 1.00 10.00 C ATOM 155 O LEU A 38 4.959 4.164 9.486 1.00 10.00 O ATOM 156 CB LEU A 38 6.297 1.872 10.970 1.00 10.00 C ATOM 157 CG LEU A 38 7.756 2.214 10.681 1.00 10.00 C ATOM 158 CD1 LEU A 38 8.175 3.447 11.459 1.00 10.00 C ATOM 159 CD2 LEU A 38 8.659 1.042 11.025 1.00 10.00 C ATOM 0 H LEU A 38 6.680 0.272 9.134 1.00 10.00 H new ATOM 0 HA LEU A 38 4.357 1.645 10.045 1.00 10.00 H new ATOM 0 HB2 LEU A 38 5.896 2.614 11.661 1.00 10.00 H new ATOM 0 HB3 LEU A 38 6.259 0.909 11.479 1.00 10.00 H new ATOM 0 HG LEU A 38 7.854 2.424 9.616 1.00 10.00 H new ATOM 0 HD11 LEU A 38 9.218 3.677 11.242 1.00 10.00 H new ATOM 0 HD12 LEU A 38 7.549 4.291 11.169 1.00 10.00 H new ATOM 0 HD13 LEU A 38 8.060 3.260 12.527 1.00 10.00 H new ATOM 0 HD21 LEU A 38 9.695 1.306 10.812 1.00 10.00 H new ATOM 0 HD22 LEU A 38 8.556 0.802 12.083 1.00 10.00 H new ATOM 0 HD23 LEU A 38 8.375 0.176 10.427 1.00 10.00 H new ATOM 171 N THR A 39 6.033 3.138 7.803 1.00 10.00 N ATOM 172 CA THR A 39 6.158 4.347 7.014 1.00 10.00 C ATOM 173 C THR A 39 4.954 4.550 6.098 1.00 10.00 C ATOM 174 O THR A 39 4.247 5.557 6.190 1.00 10.00 O ATOM 175 CB THR A 39 7.432 4.300 6.149 1.00 10.00 C ATOM 176 OG1 THR A 39 8.430 3.487 6.784 1.00 10.00 O ATOM 177 CG2 THR A 39 7.987 5.695 5.918 1.00 10.00 C ATOM 0 H THR A 39 6.431 2.306 7.367 1.00 10.00 H new ATOM 0 HA THR A 39 6.213 5.179 7.716 1.00 10.00 H new ATOM 0 HB THR A 39 7.167 3.867 5.184 1.00 10.00 H new ATOM 0 HG1 THR A 39 9.235 3.462 6.226 1.00 10.00 H new ATOM 0 HG21 THR A 39 8.886 5.632 5.305 1.00 10.00 H new ATOM 0 HG22 THR A 39 7.241 6.303 5.407 1.00 10.00 H new ATOM 0 HG23 THR A 39 8.233 6.152 6.876 1.00 10.00 H new ATOM 185 N TYR A 40 4.710 3.575 5.234 1.00 10.00 N ATOM 186 CA TYR A 40 3.623 3.661 4.266 1.00 10.00 C ATOM 187 C TYR A 40 2.241 3.616 4.918 1.00 10.00 C ATOM 188 O TYR A 40 1.301 4.222 4.408 1.00 10.00 O ATOM 189 CB TYR A 40 3.750 2.548 3.233 1.00 10.00 C ATOM 190 CG TYR A 40 3.478 2.996 1.818 1.00 10.00 C ATOM 191 CD1 TYR A 40 2.564 2.320 1.016 1.00 10.00 C ATOM 192 CD2 TYR A 40 4.128 4.098 1.283 1.00 10.00 C ATOM 193 CE1 TYR A 40 2.309 2.733 -0.277 1.00 10.00 C ATOM 194 CE2 TYR A 40 3.879 4.517 -0.007 1.00 10.00 C ATOM 195 CZ TYR A 40 2.969 3.829 -0.783 1.00 10.00 C ATOM 196 OH TYR A 40 2.712 4.248 -2.069 1.00 10.00 O ATOM 0 H TYR A 40 5.251 2.712 5.183 1.00 10.00 H new ATOM 0 HA TYR A 40 3.712 4.631 3.777 1.00 10.00 H new ATOM 0 HB2 TYR A 40 4.755 2.130 3.285 1.00 10.00 H new ATOM 0 HB3 TYR A 40 3.058 1.746 3.490 1.00 10.00 H new ATOM 0 HD1 TYR A 40 2.046 1.459 1.411 1.00 10.00 H new ATOM 0 HD2 TYR A 40 4.842 4.638 1.887 1.00 10.00 H new ATOM 0 HE1 TYR A 40 1.596 2.199 -0.887 1.00 10.00 H new ATOM 0 HE2 TYR A 40 4.393 5.378 -0.407 1.00 10.00 H new ATOM 0 HH TYR A 40 2.193 3.562 -2.539 1.00 10.00 H new ATOM 206 N LEU A 41 2.118 2.919 6.042 1.00 10.00 N ATOM 207 CA LEU A 41 0.832 2.808 6.736 1.00 10.00 C ATOM 208 C LEU A 41 0.265 4.184 7.095 1.00 10.00 C ATOM 209 O LEU A 41 -0.938 4.413 6.996 1.00 10.00 O ATOM 210 CB LEU A 41 0.974 1.966 8.010 1.00 10.00 C ATOM 211 CG LEU A 41 -0.017 0.803 8.158 1.00 10.00 C ATOM 212 CD1 LEU A 41 -1.454 1.288 8.048 1.00 10.00 C ATOM 213 CD2 LEU A 41 0.249 -0.262 7.113 1.00 10.00 C ATOM 0 H LEU A 41 2.887 2.423 6.494 1.00 10.00 H new ATOM 0 HA LEU A 41 0.139 2.317 6.053 1.00 10.00 H new ATOM 0 HB2 LEU A 41 1.986 1.562 8.045 1.00 10.00 H new ATOM 0 HB3 LEU A 41 0.863 2.624 8.872 1.00 10.00 H new ATOM 0 HG LEU A 41 0.126 0.371 9.149 1.00 10.00 H new ATOM 0 HD11 LEU A 41 -2.133 0.442 8.157 1.00 10.00 H new ATOM 0 HD12 LEU A 41 -1.653 2.017 8.834 1.00 10.00 H new ATOM 0 HD13 LEU A 41 -1.607 1.753 7.074 1.00 10.00 H new ATOM 0 HD21 LEU A 41 -0.464 -1.077 7.235 1.00 10.00 H new ATOM 0 HD22 LEU A 41 0.140 0.169 6.118 1.00 10.00 H new ATOM 0 HD23 LEU A 41 1.262 -0.645 7.234 1.00 10.00 H new ATOM 225 N ASP A 42 1.135 5.099 7.503 1.00 10.00 N ATOM 226 CA ASP A 42 0.703 6.440 7.874 1.00 10.00 C ATOM 227 C ASP A 42 0.460 7.289 6.632 1.00 10.00 C ATOM 228 O ASP A 42 -0.468 8.098 6.592 1.00 10.00 O ATOM 229 CB ASP A 42 1.743 7.101 8.770 1.00 10.00 C ATOM 230 CG ASP A 42 1.137 8.134 9.700 1.00 10.00 C ATOM 231 OD1 ASP A 42 -0.084 8.065 9.963 1.00 10.00 O ATOM 232 OD2 ASP A 42 1.888 8.997 10.199 1.00 10.00 O ATOM 0 H ASP A 42 2.139 4.938 7.585 1.00 10.00 H new ATOM 0 HA ASP A 42 -0.234 6.359 8.425 1.00 10.00 H new ATOM 0 HB2 ASP A 42 2.247 6.336 9.361 1.00 10.00 H new ATOM 0 HB3 ASP A 42 2.503 7.577 8.150 1.00 10.00 H new ATOM 237 N GLN A 43 1.278 7.070 5.608 1.00 10.00 N ATOM 238 CA GLN A 43 1.165 7.809 4.353 1.00 10.00 C ATOM 239 C GLN A 43 -0.222 7.644 3.732 1.00 10.00 C ATOM 240 O GLN A 43 -0.791 8.601 3.205 1.00 10.00 O ATOM 241 CB GLN A 43 2.244 7.347 3.372 1.00 10.00 C ATOM 242 CG GLN A 43 3.647 7.746 3.796 1.00 10.00 C ATOM 243 CD GLN A 43 3.932 9.212 3.545 1.00 10.00 C ATOM 244 OE1 GLN A 43 3.628 10.069 4.372 1.00 10.00 O ATOM 245 NE2 GLN A 43 4.526 9.506 2.408 1.00 10.00 N ATOM 0 H GLN A 43 2.031 6.383 5.622 1.00 10.00 H new ATOM 0 HA GLN A 43 1.309 8.867 4.571 1.00 10.00 H new ATOM 0 HB2 GLN A 43 2.196 6.263 3.273 1.00 10.00 H new ATOM 0 HB3 GLN A 43 2.035 7.767 2.388 1.00 10.00 H new ATOM 0 HG2 GLN A 43 3.778 7.530 4.856 1.00 10.00 H new ATOM 0 HG3 GLN A 43 4.373 7.140 3.255 1.00 10.00 H new ATOM 0 HE21 GLN A 43 4.761 8.764 1.749 1.00 10.00 H new ATOM 0 HE22 GLN A 43 4.751 10.476 2.186 1.00 10.00 H new ATOM 254 N VAL A 44 -0.765 6.434 3.804 1.00 10.00 N ATOM 255 CA VAL A 44 -2.089 6.160 3.258 1.00 10.00 C ATOM 256 C VAL A 44 -3.152 6.939 4.034 1.00 10.00 C ATOM 257 O VAL A 44 -4.110 7.457 3.456 1.00 10.00 O ATOM 258 CB VAL A 44 -2.422 4.650 3.291 1.00 10.00 C ATOM 259 CG1 VAL A 44 -3.737 4.367 2.574 1.00 10.00 C ATOM 260 CG2 VAL A 44 -1.288 3.835 2.678 1.00 10.00 C ATOM 0 H VAL A 44 -0.310 5.629 4.234 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.086 6.482 2.217 1.00 10.00 H new ATOM 0 HB VAL A 44 -2.534 4.351 4.333 1.00 10.00 H new ATOM 0 HG11 VAL A 44 -3.949 3.298 2.611 1.00 10.00 H new ATOM 0 HG12 VAL A 44 -4.543 4.914 3.063 1.00 10.00 H new ATOM 0 HG13 VAL A 44 -3.661 4.686 1.535 1.00 10.00 H new ATOM 0 HG21 VAL A 44 -1.542 2.776 2.711 1.00 10.00 H new ATOM 0 HG22 VAL A 44 -1.139 4.140 1.642 1.00 10.00 H new ATOM 0 HG23 VAL A 44 -0.371 4.006 3.242 1.00 10.00 H new ATOM 270 N LYS A 45 -2.945 7.047 5.343 1.00 10.00 N ATOM 271 CA LYS A 45 -3.868 7.760 6.218 1.00 10.00 C ATOM 272 C LYS A 45 -3.822 9.262 5.940 1.00 10.00 C ATOM 273 O LYS A 45 -4.825 9.966 6.068 1.00 10.00 O ATOM 274 CB LYS A 45 -3.512 7.487 7.682 1.00 10.00 C ATOM 275 CG LYS A 45 -4.508 8.051 8.679 1.00 10.00 C ATOM 276 CD LYS A 45 -4.141 7.658 10.102 1.00 10.00 C ATOM 277 CE LYS A 45 -3.609 8.839 10.897 1.00 10.00 C ATOM 278 NZ LYS A 45 -2.358 9.402 10.309 1.00 10.00 N ATOM 0 H LYS A 45 -2.139 6.646 5.823 1.00 10.00 H new ATOM 0 HA LYS A 45 -4.879 7.404 6.021 1.00 10.00 H new ATOM 0 HB2 LYS A 45 -3.436 6.410 7.831 1.00 10.00 H new ATOM 0 HB3 LYS A 45 -2.528 7.908 7.890 1.00 10.00 H new ATOM 0 HG2 LYS A 45 -4.536 9.137 8.594 1.00 10.00 H new ATOM 0 HG3 LYS A 45 -5.508 7.687 8.444 1.00 10.00 H new ATOM 0 HD2 LYS A 45 -5.018 7.249 10.603 1.00 10.00 H new ATOM 0 HD3 LYS A 45 -3.390 6.868 10.078 1.00 10.00 H new ATOM 0 HE2 LYS A 45 -4.370 9.618 10.939 1.00 10.00 H new ATOM 0 HE3 LYS A 45 -3.416 8.526 11.923 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -2.025 10.194 10.895 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -1.627 8.663 10.276 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 -2.550 9.742 9.345 1.00 10.00 H new ATOM 292 N ILE A 46 -2.644 9.746 5.572 1.00 10.00 N ATOM 293 CA ILE A 46 -2.455 11.158 5.264 1.00 10.00 C ATOM 294 C ILE A 46 -3.087 11.493 3.917 1.00 10.00 C ATOM 295 O ILE A 46 -3.768 12.509 3.771 1.00 10.00 O ATOM 296 CB ILE A 46 -0.957 11.539 5.240 1.00 10.00 C ATOM 297 CG1 ILE A 46 -0.314 11.210 6.589 1.00 10.00 C ATOM 298 CG2 ILE A 46 -0.784 13.019 4.922 1.00 10.00 C ATOM 299 CD1 ILE A 46 1.196 11.192 6.556 1.00 10.00 C ATOM 0 H ILE A 46 -1.801 9.179 5.479 1.00 10.00 H new ATOM 0 HA ILE A 46 -2.942 11.734 6.051 1.00 10.00 H new ATOM 0 HB ILE A 46 -0.463 10.961 4.459 1.00 10.00 H new ATOM 0 HG12 ILE A 46 -0.643 11.942 7.326 1.00 10.00 H new ATOM 0 HG13 ILE A 46 -0.672 10.237 6.924 1.00 10.00 H new ATOM 0 HG21 ILE A 46 0.277 13.267 4.910 1.00 10.00 H new ATOM 0 HG22 ILE A 46 -1.218 13.235 3.946 1.00 10.00 H new ATOM 0 HG23 ILE A 46 -1.287 13.616 5.683 1.00 10.00 H new ATOM 0 HD11 ILE A 46 1.579 10.952 7.548 1.00 10.00 H new ATOM 0 HD12 ILE A 46 1.535 10.440 5.844 1.00 10.00 H new ATOM 0 HD13 ILE A 46 1.565 12.172 6.252 1.00 10.00 H new ATOM 311 N ARG A 47 -2.877 10.613 2.943 1.00 10.00 N ATOM 312 CA ARG A 47 -3.413 10.803 1.603 1.00 10.00 C ATOM 313 C ARG A 47 -4.935 10.744 1.605 1.00 10.00 C ATOM 314 O ARG A 47 -5.600 11.544 0.942 1.00 10.00 O ATOM 315 CB ARG A 47 -2.843 9.749 0.654 1.00 10.00 C ATOM 316 CG ARG A 47 -1.561 10.189 -0.027 1.00 10.00 C ATOM 317 CD ARG A 47 -1.846 11.196 -1.125 1.00 10.00 C ATOM 318 NE ARG A 47 -0.635 11.856 -1.592 1.00 10.00 N ATOM 319 CZ ARG A 47 -0.529 12.459 -2.777 1.00 10.00 C ATOM 320 NH1 ARG A 47 -1.567 12.477 -3.606 1.00 10.00 N ATOM 321 NH2 ARG A 47 0.604 13.045 -3.133 1.00 10.00 N ATOM 0 H ARG A 47 -2.336 9.756 3.060 1.00 10.00 H new ATOM 0 HA ARG A 47 -3.116 11.793 1.256 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -2.654 8.832 1.211 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.588 9.513 -0.106 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -0.887 10.628 0.708 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -1.052 9.322 -0.447 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -2.329 10.692 -1.962 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -2.547 11.945 -0.756 1.00 10.00 H new ATOM 0 HE ARG A 47 0.179 11.857 -0.978 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -2.443 12.030 -3.336 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -1.488 12.938 -4.513 1.00 10.00 H new ATOM 0 HH21 ARG A 47 1.403 13.037 -2.499 1.00 10.00 H new ATOM 0 HH22 ARG A 47 0.677 13.504 -4.041 1.00 10.00 H new ATOM 335 N PHE A 48 -5.485 9.800 2.348 1.00 10.00 N ATOM 336 CA PHE A 48 -6.929 9.649 2.427 1.00 10.00 C ATOM 337 C PHE A 48 -7.442 10.116 3.781 1.00 10.00 C ATOM 338 O PHE A 48 -8.067 9.358 4.526 1.00 10.00 O ATOM 339 CB PHE A 48 -7.335 8.202 2.157 1.00 10.00 C ATOM 340 CG PHE A 48 -7.089 7.784 0.738 1.00 10.00 C ATOM 341 CD1 PHE A 48 -7.943 8.190 -0.276 1.00 10.00 C ATOM 342 CD2 PHE A 48 -5.995 6.999 0.417 1.00 10.00 C ATOM 343 CE1 PHE A 48 -7.709 7.819 -1.587 1.00 10.00 C ATOM 344 CE2 PHE A 48 -5.758 6.622 -0.889 1.00 10.00 C ATOM 345 CZ PHE A 48 -6.613 7.034 -1.894 1.00 10.00 C ATOM 0 H PHE A 48 -4.956 9.128 2.904 1.00 10.00 H new ATOM 0 HA PHE A 48 -7.384 10.275 1.659 1.00 10.00 H new ATOM 0 HB2 PHE A 48 -6.781 7.543 2.826 1.00 10.00 H new ATOM 0 HB3 PHE A 48 -8.393 8.077 2.390 1.00 10.00 H new ATOM 0 HD1 PHE A 48 -8.800 8.803 -0.039 1.00 10.00 H new ATOM 0 HD2 PHE A 48 -5.320 6.678 1.197 1.00 10.00 H new ATOM 0 HE1 PHE A 48 -8.380 8.141 -2.369 1.00 10.00 H new ATOM 0 HE2 PHE A 48 -4.904 6.005 -1.126 1.00 10.00 H new ATOM 0 HZ PHE A 48 -6.425 6.743 -2.917 1.00 10.00 H new ATOM 355 N GLY A 49 -7.177 11.377 4.086 1.00 10.00 N ATOM 356 CA GLY A 49 -7.613 11.942 5.342 1.00 10.00 C ATOM 357 C GLY A 49 -9.074 12.333 5.309 1.00 10.00 C ATOM 358 O GLY A 49 -9.823 12.062 6.251 1.00 10.00 O ATOM 0 H GLY A 49 -6.665 12.020 3.482 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -7.449 11.219 6.141 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -7.008 12.818 5.575 1.00 10.00 H new ATOM 362 N SER A 50 -9.484 12.961 4.219 1.00 10.00 N ATOM 363 CA SER A 50 -10.863 13.393 4.058 1.00 10.00 C ATOM 364 C SER A 50 -11.725 12.262 3.507 1.00 10.00 C ATOM 365 O SER A 50 -12.950 12.360 3.477 1.00 10.00 O ATOM 366 CB SER A 50 -10.925 14.606 3.125 1.00 10.00 C ATOM 367 OG SER A 50 -10.114 15.667 3.612 1.00 10.00 O ATOM 0 H SER A 50 -8.878 13.184 3.429 1.00 10.00 H new ATOM 0 HA SER A 50 -11.253 13.674 5.036 1.00 10.00 H new ATOM 0 HB2 SER A 50 -10.593 14.319 2.127 1.00 10.00 H new ATOM 0 HB3 SER A 50 -11.957 14.945 3.032 1.00 10.00 H new ATOM 0 HG SER A 50 -10.169 16.429 2.998 1.00 10.00 H new ATOM 373 N ASP A 51 -11.075 11.196 3.061 1.00 10.00 N ATOM 374 CA ASP A 51 -11.778 10.041 2.517 1.00 10.00 C ATOM 375 C ASP A 51 -11.570 8.814 3.400 1.00 10.00 C ATOM 376 O ASP A 51 -10.590 8.084 3.251 1.00 10.00 O ATOM 377 CB ASP A 51 -11.306 9.745 1.091 1.00 10.00 C ATOM 378 CG ASP A 51 -12.173 8.710 0.403 1.00 10.00 C ATOM 379 OD1 ASP A 51 -12.028 7.511 0.701 1.00 10.00 O ATOM 380 OD2 ASP A 51 -12.996 9.096 -0.453 1.00 10.00 O ATOM 0 H ASP A 51 -10.059 11.106 3.065 1.00 10.00 H new ATOM 0 HA ASP A 51 -12.842 10.276 2.493 1.00 10.00 H new ATOM 0 HB2 ASP A 51 -11.313 10.667 0.509 1.00 10.00 H new ATOM 0 HB3 ASP A 51 -10.275 9.393 1.117 1.00 10.00 H new ATOM 385 N PRO A 52 -12.483 8.579 4.351 1.00 10.00 N ATOM 386 CA PRO A 52 -12.396 7.428 5.248 1.00 10.00 C ATOM 387 C PRO A 52 -12.817 6.136 4.553 1.00 10.00 C ATOM 388 O PRO A 52 -12.527 5.033 5.024 1.00 10.00 O ATOM 389 CB PRO A 52 -13.372 7.782 6.367 1.00 10.00 C ATOM 390 CG PRO A 52 -14.380 8.682 5.740 1.00 10.00 C ATOM 391 CD PRO A 52 -13.666 9.422 4.641 1.00 10.00 C ATOM 0 HA PRO A 52 -11.380 7.248 5.598 1.00 10.00 H new ATOM 0 HB2 PRO A 52 -13.843 6.888 6.775 1.00 10.00 H new ATOM 0 HB3 PRO A 52 -12.861 8.278 7.192 1.00 10.00 H new ATOM 0 HG2 PRO A 52 -15.217 8.109 5.342 1.00 10.00 H new ATOM 0 HG3 PRO A 52 -14.789 9.377 6.473 1.00 10.00 H new ATOM 0 HD2 PRO A 52 -14.299 9.538 3.761 1.00 10.00 H new ATOM 0 HD3 PRO A 52 -13.375 10.423 4.958 1.00 10.00 H new ATOM 399 N ALA A 53 -13.485 6.290 3.415 1.00 10.00 N ATOM 400 CA ALA A 53 -13.972 5.159 2.639 1.00 10.00 C ATOM 401 C ALA A 53 -12.824 4.307 2.105 1.00 10.00 C ATOM 402 O ALA A 53 -12.778 3.097 2.340 1.00 10.00 O ATOM 403 CB ALA A 53 -14.850 5.653 1.499 1.00 10.00 C ATOM 0 H ALA A 53 -13.703 7.199 3.007 1.00 10.00 H new ATOM 0 HA ALA A 53 -14.566 4.526 3.298 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -15.211 4.801 0.922 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -15.699 6.202 1.906 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -14.270 6.310 0.851 1.00 10.00 H new ATOM 409 N THR A 54 -11.899 4.941 1.396 1.00 10.00 N ATOM 410 CA THR A 54 -10.753 4.243 0.828 1.00 10.00 C ATOM 411 C THR A 54 -9.838 3.709 1.927 1.00 10.00 C ATOM 412 O THR A 54 -9.247 2.637 1.791 1.00 10.00 O ATOM 413 CB THR A 54 -9.954 5.173 -0.108 1.00 10.00 C ATOM 414 OG1 THR A 54 -10.861 5.894 -0.955 1.00 10.00 O ATOM 415 CG2 THR A 54 -8.973 4.379 -0.964 1.00 10.00 C ATOM 0 H THR A 54 -11.920 5.942 1.200 1.00 10.00 H new ATOM 0 HA THR A 54 -11.134 3.401 0.250 1.00 10.00 H new ATOM 0 HB THR A 54 -9.384 5.872 0.505 1.00 10.00 H new ATOM 0 HG1 THR A 54 -11.147 6.715 -0.504 1.00 10.00 H new ATOM 0 HG21 THR A 54 -8.423 5.060 -1.614 1.00 10.00 H new ATOM 0 HG22 THR A 54 -8.273 3.849 -0.318 1.00 10.00 H new ATOM 0 HG23 THR A 54 -9.521 3.659 -1.572 1.00 10.00 H new ATOM 423 N TYR A 55 -9.748 4.449 3.026 1.00 10.00 N ATOM 424 CA TYR A 55 -8.905 4.046 4.143 1.00 10.00 C ATOM 425 C TYR A 55 -9.428 2.756 4.778 1.00 10.00 C ATOM 426 O TYR A 55 -8.656 1.843 5.081 1.00 10.00 O ATOM 427 CB TYR A 55 -8.834 5.160 5.190 1.00 10.00 C ATOM 428 CG TYR A 55 -7.823 4.892 6.283 1.00 10.00 C ATOM 429 CD1 TYR A 55 -6.464 4.888 6.008 1.00 10.00 C ATOM 430 CD2 TYR A 55 -8.231 4.639 7.588 1.00 10.00 C ATOM 431 CE1 TYR A 55 -5.536 4.636 7.002 1.00 10.00 C ATOM 432 CE2 TYR A 55 -7.311 4.389 8.587 1.00 10.00 C ATOM 433 CZ TYR A 55 -5.965 4.388 8.289 1.00 10.00 C ATOM 434 OH TYR A 55 -5.043 4.140 9.281 1.00 10.00 O ATOM 0 H TYR A 55 -10.247 5.328 3.166 1.00 10.00 H new ATOM 0 HA TYR A 55 -7.901 3.861 3.762 1.00 10.00 H new ATOM 0 HB2 TYR A 55 -8.583 6.098 4.695 1.00 10.00 H new ATOM 0 HB3 TYR A 55 -9.819 5.290 5.639 1.00 10.00 H new ATOM 0 HD1 TYR A 55 -6.125 5.085 5.002 1.00 10.00 H new ATOM 0 HD2 TYR A 55 -9.285 4.638 7.824 1.00 10.00 H new ATOM 0 HE1 TYR A 55 -4.481 4.633 6.772 1.00 10.00 H new ATOM 0 HE2 TYR A 55 -7.644 4.195 9.596 1.00 10.00 H new ATOM 0 HH TYR A 55 -5.509 3.986 10.129 1.00 10.00 H new ATOM 444 N ASN A 56 -10.742 2.689 4.973 1.00 10.00 N ATOM 445 CA ASN A 56 -11.374 1.508 5.560 1.00 10.00 C ATOM 446 C ASN A 56 -11.207 0.302 4.646 1.00 10.00 C ATOM 447 O ASN A 56 -10.924 -0.804 5.111 1.00 10.00 O ATOM 448 CB ASN A 56 -12.858 1.763 5.823 1.00 10.00 C ATOM 449 CG ASN A 56 -13.108 2.333 7.206 1.00 10.00 C ATOM 450 OD1 ASN A 56 -12.401 2.012 8.162 1.00 10.00 O ATOM 451 ND2 ASN A 56 -14.116 3.180 7.323 1.00 10.00 N ATOM 0 H ASN A 56 -11.391 3.438 4.733 1.00 10.00 H new ATOM 0 HA ASN A 56 -10.883 1.299 6.510 1.00 10.00 H new ATOM 0 HB2 ASN A 56 -13.244 2.453 5.073 1.00 10.00 H new ATOM 0 HB3 ASN A 56 -13.410 0.830 5.712 1.00 10.00 H new ATOM 0 HD21 ASN A 56 -14.332 3.594 8.230 1.00 10.00 H new ATOM 0 HD22 ASN A 56 -14.678 3.420 6.506 1.00 10.00 H new ATOM 458 N GLY A 57 -11.379 0.529 3.343 1.00 10.00 N ATOM 459 CA GLY A 57 -11.232 -0.538 2.368 1.00 10.00 C ATOM 460 C GLY A 57 -9.833 -1.118 2.365 1.00 10.00 C ATOM 461 O GLY A 57 -9.654 -2.327 2.234 1.00 10.00 O ATOM 0 H GLY A 57 -11.619 1.438 2.946 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -11.951 -1.328 2.585 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -11.468 -0.156 1.375 1.00 10.00 H new ATOM 465 N PHE A 58 -8.842 -0.251 2.514 1.00 10.00 N ATOM 466 CA PHE A 58 -7.447 -0.666 2.555 1.00 10.00 C ATOM 467 C PHE A 58 -7.220 -1.667 3.689 1.00 10.00 C ATOM 468 O PHE A 58 -6.518 -2.666 3.526 1.00 10.00 O ATOM 469 CB PHE A 58 -6.564 0.572 2.737 1.00 10.00 C ATOM 470 CG PHE A 58 -5.117 0.278 3.031 1.00 10.00 C ATOM 471 CD1 PHE A 58 -4.588 0.525 4.291 1.00 10.00 C ATOM 472 CD2 PHE A 58 -4.284 -0.237 2.050 1.00 10.00 C ATOM 473 CE1 PHE A 58 -3.257 0.263 4.565 1.00 10.00 C ATOM 474 CE2 PHE A 58 -2.955 -0.500 2.320 1.00 10.00 C ATOM 475 CZ PHE A 58 -2.440 -0.250 3.580 1.00 10.00 C ATOM 0 H PHE A 58 -8.981 0.755 2.609 1.00 10.00 H new ATOM 0 HA PHE A 58 -7.185 -1.160 1.619 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -6.621 1.177 1.832 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -6.970 1.174 3.550 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -5.223 0.927 5.067 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.678 -0.435 1.064 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.859 0.460 5.549 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.317 -0.901 1.547 1.00 10.00 H new ATOM 0 HZ PHE A 58 -1.401 -0.456 3.791 1.00 10.00 H new ATOM 485 N LEU A 59 -7.852 -1.404 4.827 1.00 10.00 N ATOM 486 CA LEU A 59 -7.733 -2.270 5.997 1.00 10.00 C ATOM 487 C LEU A 59 -8.480 -3.590 5.785 1.00 10.00 C ATOM 488 O LEU A 59 -8.088 -4.626 6.328 1.00 10.00 O ATOM 489 CB LEU A 59 -8.274 -1.555 7.240 1.00 10.00 C ATOM 490 CG LEU A 59 -7.566 -0.247 7.595 1.00 10.00 C ATOM 491 CD1 LEU A 59 -8.425 0.581 8.538 1.00 10.00 C ATOM 492 CD2 LEU A 59 -6.204 -0.532 8.213 1.00 10.00 C ATOM 0 H LEU A 59 -8.456 -0.594 4.966 1.00 10.00 H new ATOM 0 HA LEU A 59 -6.677 -2.496 6.144 1.00 10.00 H new ATOM 0 HB2 LEU A 59 -9.333 -1.347 7.089 1.00 10.00 H new ATOM 0 HB3 LEU A 59 -8.200 -2.232 8.091 1.00 10.00 H new ATOM 0 HG LEU A 59 -7.412 0.327 6.681 1.00 10.00 H new ATOM 0 HD11 LEU A 59 -7.907 1.509 8.781 1.00 10.00 H new ATOM 0 HD12 LEU A 59 -9.376 0.811 8.057 1.00 10.00 H new ATOM 0 HD13 LEU A 59 -8.609 0.017 9.453 1.00 10.00 H new ATOM 0 HD21 LEU A 59 -5.713 0.409 8.460 1.00 10.00 H new ATOM 0 HD22 LEU A 59 -6.332 -1.123 9.120 1.00 10.00 H new ATOM 0 HD23 LEU A 59 -5.591 -1.086 7.502 1.00 10.00 H new ATOM 504 N GLU A 60 -9.549 -3.546 4.990 1.00 10.00 N ATOM 505 CA GLU A 60 -10.348 -4.740 4.704 1.00 10.00 C ATOM 506 C GLU A 60 -9.565 -5.724 3.846 1.00 10.00 C ATOM 507 O GLU A 60 -9.643 -6.940 4.041 1.00 10.00 O ATOM 508 CB GLU A 60 -11.650 -4.365 3.988 1.00 10.00 C ATOM 509 CG GLU A 60 -12.614 -3.571 4.850 1.00 10.00 C ATOM 510 CD GLU A 60 -13.127 -4.363 6.035 1.00 10.00 C ATOM 511 OE1 GLU A 60 -14.187 -5.009 5.911 1.00 10.00 O ATOM 512 OE2 GLU A 60 -12.479 -4.342 7.099 1.00 10.00 O ATOM 0 H GLU A 60 -9.882 -2.698 4.532 1.00 10.00 H new ATOM 0 HA GLU A 60 -10.588 -5.212 5.657 1.00 10.00 H new ATOM 0 HB2 GLU A 60 -11.410 -3.784 3.097 1.00 10.00 H new ATOM 0 HB3 GLU A 60 -12.144 -5.276 3.651 1.00 10.00 H new ATOM 0 HG2 GLU A 60 -12.117 -2.670 5.208 1.00 10.00 H new ATOM 0 HG3 GLU A 60 -13.458 -3.248 4.241 1.00 10.00 H new ATOM 519 N ILE A 61 -8.806 -5.187 2.898 1.00 10.00 N ATOM 520 CA ILE A 61 -7.996 -6.006 2.003 1.00 10.00 C ATOM 521 C ILE A 61 -6.865 -6.683 2.771 1.00 10.00 C ATOM 522 O ILE A 61 -6.448 -7.798 2.441 1.00 10.00 O ATOM 523 CB ILE A 61 -7.420 -5.160 0.842 1.00 10.00 C ATOM 524 CG1 ILE A 61 -8.553 -4.468 0.081 1.00 10.00 C ATOM 525 CG2 ILE A 61 -6.604 -6.030 -0.103 1.00 10.00 C ATOM 526 CD1 ILE A 61 -8.103 -3.279 -0.742 1.00 10.00 C ATOM 0 H ILE A 61 -8.734 -4.184 2.729 1.00 10.00 H new ATOM 0 HA ILE A 61 -8.642 -6.775 1.579 1.00 10.00 H new ATOM 0 HB ILE A 61 -6.762 -4.399 1.262 1.00 10.00 H new ATOM 0 HG12 ILE A 61 -9.031 -5.193 -0.578 1.00 10.00 H new ATOM 0 HG13 ILE A 61 -9.308 -4.139 0.794 1.00 10.00 H new ATOM 0 HG21 ILE A 61 -6.208 -5.416 -0.912 1.00 10.00 H new ATOM 0 HG22 ILE A 61 -5.779 -6.486 0.444 1.00 10.00 H new ATOM 0 HG23 ILE A 61 -7.240 -6.812 -0.518 1.00 10.00 H new ATOM 0 HD11 ILE A 61 -8.962 -2.843 -1.251 1.00 10.00 H new ATOM 0 HD12 ILE A 61 -7.652 -2.533 -0.087 1.00 10.00 H new ATOM 0 HD13 ILE A 61 -7.370 -3.604 -1.481 1.00 10.00 H new ATOM 538 N MET A 62 -6.389 -6.019 3.822 1.00 10.00 N ATOM 539 CA MET A 62 -5.312 -6.560 4.643 1.00 10.00 C ATOM 540 C MET A 62 -5.766 -7.830 5.354 1.00 10.00 C ATOM 541 O MET A 62 -4.959 -8.713 5.647 1.00 10.00 O ATOM 542 CB MET A 62 -4.835 -5.525 5.661 1.00 10.00 C ATOM 543 CG MET A 62 -4.059 -4.366 5.046 1.00 10.00 C ATOM 544 SD MET A 62 -2.690 -4.913 4.004 1.00 10.00 S ATOM 545 CE MET A 62 -3.421 -4.760 2.377 1.00 10.00 C ATOM 0 H MET A 62 -6.732 -5.107 4.124 1.00 10.00 H new ATOM 0 HA MET A 62 -4.478 -6.808 3.987 1.00 10.00 H new ATOM 0 HB2 MET A 62 -5.699 -5.129 6.194 1.00 10.00 H new ATOM 0 HB3 MET A 62 -4.205 -6.020 6.400 1.00 10.00 H new ATOM 0 HG2 MET A 62 -4.739 -3.754 4.453 1.00 10.00 H new ATOM 0 HG3 MET A 62 -3.672 -3.731 5.843 1.00 10.00 H new ATOM 0 HE1 MET A 62 -2.995 -5.514 1.715 1.00 10.00 H new ATOM 0 HE2 MET A 62 -4.499 -4.906 2.447 1.00 10.00 H new ATOM 0 HE3 MET A 62 -3.215 -3.767 1.977 1.00 10.00 H new ATOM 555 N LYS A 63 -7.069 -7.923 5.615 1.00 10.00 N ATOM 556 CA LYS A 63 -7.634 -9.088 6.280 1.00 10.00 C ATOM 557 C LYS A 63 -7.437 -10.333 5.422 1.00 10.00 C ATOM 558 O LYS A 63 -7.097 -11.404 5.927 1.00 10.00 O ATOM 559 CB LYS A 63 -9.123 -8.881 6.563 1.00 10.00 C ATOM 560 CG LYS A 63 -9.413 -7.801 7.592 1.00 10.00 C ATOM 561 CD LYS A 63 -10.908 -7.591 7.773 1.00 10.00 C ATOM 562 CE LYS A 63 -11.208 -6.673 8.944 1.00 10.00 C ATOM 563 NZ LYS A 63 -12.629 -6.231 8.952 1.00 10.00 N ATOM 0 H LYS A 63 -7.751 -7.203 5.375 1.00 10.00 H new ATOM 0 HA LYS A 63 -7.115 -9.224 7.229 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -9.627 -8.625 5.631 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -9.551 -9.822 6.909 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -8.965 -8.077 8.547 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -8.948 -6.866 7.280 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -11.329 -7.167 6.861 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -11.394 -8.554 7.931 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -10.983 -7.189 9.877 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -10.556 -5.800 8.898 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -12.915 -5.999 9.925 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -12.734 -5.389 8.350 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -13.232 -6.995 8.586 1.00 10.00 H new ATOM 577 N GLU A 64 -7.640 -10.174 4.118 1.00 10.00 N ATOM 578 CA GLU A 64 -7.486 -11.275 3.172 1.00 10.00 C ATOM 579 C GLU A 64 -6.035 -11.732 3.118 1.00 10.00 C ATOM 580 O GLU A 64 -5.749 -12.930 3.105 1.00 10.00 O ATOM 581 CB GLU A 64 -7.953 -10.860 1.772 1.00 10.00 C ATOM 582 CG GLU A 64 -9.371 -10.321 1.729 1.00 10.00 C ATOM 583 CD GLU A 64 -9.985 -10.413 0.349 1.00 10.00 C ATOM 584 OE1 GLU A 64 -10.776 -11.351 0.110 1.00 10.00 O ATOM 585 OE2 GLU A 64 -9.692 -9.550 -0.503 1.00 10.00 O ATOM 0 H GLU A 64 -7.913 -9.289 3.690 1.00 10.00 H new ATOM 0 HA GLU A 64 -8.106 -12.103 3.515 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.274 -10.100 1.384 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -7.882 -11.720 1.107 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -9.989 -10.876 2.435 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -9.371 -9.281 2.054 1.00 10.00 H new ATOM 592 N PHE A 65 -5.120 -10.771 3.108 1.00 10.00 N ATOM 593 CA PHE A 65 -3.698 -11.076 3.054 1.00 10.00 C ATOM 594 C PHE A 65 -3.255 -11.804 4.322 1.00 10.00 C ATOM 595 O PHE A 65 -2.510 -12.782 4.259 1.00 10.00 O ATOM 596 CB PHE A 65 -2.873 -9.803 2.861 1.00 10.00 C ATOM 597 CG PHE A 65 -1.423 -10.075 2.583 1.00 10.00 C ATOM 598 CD1 PHE A 65 -0.455 -9.795 3.533 1.00 10.00 C ATOM 599 CD2 PHE A 65 -1.032 -10.628 1.374 1.00 10.00 C ATOM 600 CE1 PHE A 65 0.879 -10.058 3.281 1.00 10.00 C ATOM 601 CE2 PHE A 65 0.298 -10.892 1.112 1.00 10.00 C ATOM 602 CZ PHE A 65 1.257 -10.608 2.071 1.00 10.00 C ATOM 0 H PHE A 65 -5.338 -9.775 3.137 1.00 10.00 H new ATOM 0 HA PHE A 65 -3.527 -11.729 2.198 1.00 10.00 H new ATOM 0 HB2 PHE A 65 -3.293 -9.227 2.036 1.00 10.00 H new ATOM 0 HB3 PHE A 65 -2.955 -9.185 3.755 1.00 10.00 H new ATOM 0 HD1 PHE A 65 -0.745 -9.367 4.481 1.00 10.00 H new ATOM 0 HD2 PHE A 65 -1.778 -10.856 0.626 1.00 10.00 H new ATOM 0 HE1 PHE A 65 1.625 -9.834 4.029 1.00 10.00 H new ATOM 0 HE2 PHE A 65 0.589 -11.318 0.163 1.00 10.00 H new ATOM 0 HZ PHE A 65 2.298 -10.816 1.873 1.00 10.00 H new ATOM 612 N LYS A 66 -3.739 -11.338 5.471 1.00 10.00 N ATOM 613 CA LYS A 66 -3.392 -11.945 6.756 1.00 10.00 C ATOM 614 C LYS A 66 -3.986 -13.346 6.879 1.00 10.00 C ATOM 615 O LYS A 66 -3.551 -14.146 7.706 1.00 10.00 O ATOM 616 CB LYS A 66 -3.855 -11.060 7.920 1.00 10.00 C ATOM 617 CG LYS A 66 -3.022 -9.802 8.087 1.00 10.00 C ATOM 618 CD LYS A 66 -3.315 -9.114 9.411 1.00 10.00 C ATOM 619 CE LYS A 66 -2.775 -9.908 10.592 1.00 10.00 C ATOM 620 NZ LYS A 66 -2.992 -9.205 11.883 1.00 10.00 N ATOM 0 H LYS A 66 -4.373 -10.542 5.540 1.00 10.00 H new ATOM 0 HA LYS A 66 -2.306 -12.032 6.802 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -4.896 -10.779 7.762 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -3.817 -11.638 8.844 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -1.963 -10.055 8.033 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -3.228 -9.116 7.265 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -2.872 -8.118 9.409 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -4.391 -8.983 9.522 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -3.260 -10.884 10.625 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -1.709 -10.087 10.451 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -2.609 -9.780 12.660 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -2.508 -8.285 11.863 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -4.011 -9.057 12.031 1.00 10.00 H new ATOM 634 N SER A 67 -4.983 -13.631 6.052 1.00 10.00 N ATOM 635 CA SER A 67 -5.624 -14.941 6.049 1.00 10.00 C ATOM 636 C SER A 67 -5.015 -15.829 4.972 1.00 10.00 C ATOM 637 O SER A 67 -5.440 -16.969 4.782 1.00 10.00 O ATOM 638 CB SER A 67 -7.126 -14.793 5.813 1.00 10.00 C ATOM 639 OG SER A 67 -7.708 -13.921 6.768 1.00 10.00 O ATOM 0 H SER A 67 -5.366 -12.973 5.374 1.00 10.00 H new ATOM 0 HA SER A 67 -5.461 -15.407 7.021 1.00 10.00 H new ATOM 0 HB2 SER A 67 -7.304 -14.408 4.809 1.00 10.00 H new ATOM 0 HB3 SER A 67 -7.604 -15.771 5.869 1.00 10.00 H new ATOM 0 HG SER A 67 -7.646 -12.997 6.448 1.00 10.00 H new ATOM 645 N GLN A 68 -4.009 -15.291 4.278 1.00 10.00 N ATOM 646 CA GLN A 68 -3.313 -16.003 3.204 1.00 10.00 C ATOM 647 C GLN A 68 -4.257 -16.279 2.038 1.00 10.00 C ATOM 648 O GLN A 68 -4.029 -17.191 1.240 1.00 10.00 O ATOM 649 CB GLN A 68 -2.711 -17.319 3.704 1.00 10.00 C ATOM 650 CG GLN A 68 -1.764 -17.162 4.883 1.00 10.00 C ATOM 651 CD GLN A 68 -1.245 -18.497 5.386 1.00 10.00 C ATOM 652 OE1 GLN A 68 -0.173 -18.958 4.994 1.00 10.00 O ATOM 653 NE2 GLN A 68 -2.017 -19.140 6.243 1.00 10.00 N ATOM 0 H GLN A 68 -3.654 -14.349 4.445 1.00 10.00 H new ATOM 0 HA GLN A 68 -2.501 -15.361 2.862 1.00 10.00 H new ATOM 0 HB2 GLN A 68 -3.521 -17.991 3.989 1.00 10.00 H new ATOM 0 HB3 GLN A 68 -2.176 -17.796 2.883 1.00 10.00 H new ATOM 0 HG2 GLN A 68 -0.922 -16.535 4.589 1.00 10.00 H new ATOM 0 HG3 GLN A 68 -2.279 -16.646 5.693 1.00 10.00 H new ATOM 0 HE21 GLN A 68 -2.899 -18.726 6.545 1.00 10.00 H new ATOM 0 HE22 GLN A 68 -1.731 -20.051 6.603 1.00 10.00 H new ATOM 662 N SER A 69 -5.312 -15.486 1.938 1.00 10.00 N ATOM 663 CA SER A 69 -6.286 -15.651 0.876 1.00 10.00 C ATOM 664 C SER A 69 -5.754 -15.074 -0.431 1.00 10.00 C ATOM 665 O SER A 69 -6.092 -15.548 -1.517 1.00 10.00 O ATOM 666 CB SER A 69 -7.600 -14.974 1.267 1.00 10.00 C ATOM 667 OG SER A 69 -8.005 -15.372 2.567 1.00 10.00 O ATOM 0 H SER A 69 -5.514 -14.721 2.582 1.00 10.00 H new ATOM 0 HA SER A 69 -6.469 -16.715 0.727 1.00 10.00 H new ATOM 0 HB2 SER A 69 -7.480 -13.891 1.234 1.00 10.00 H new ATOM 0 HB3 SER A 69 -8.375 -15.231 0.545 1.00 10.00 H new ATOM 0 HG SER A 69 -8.847 -14.926 2.798 1.00 10.00 H new ATOM 673 N ILE A 70 -4.902 -14.060 -0.323 1.00 10.00 N ATOM 674 CA ILE A 70 -4.327 -13.429 -1.501 1.00 10.00 C ATOM 675 C ILE A 70 -2.811 -13.353 -1.394 1.00 10.00 C ATOM 676 O ILE A 70 -2.255 -13.333 -0.292 1.00 10.00 O ATOM 677 CB ILE A 70 -4.896 -12.012 -1.729 1.00 10.00 C ATOM 678 CG1 ILE A 70 -4.701 -11.142 -0.486 1.00 10.00 C ATOM 679 CG2 ILE A 70 -6.366 -12.084 -2.111 1.00 10.00 C ATOM 680 CD1 ILE A 70 -5.076 -9.693 -0.696 1.00 10.00 C ATOM 0 H ILE A 70 -4.597 -13.660 0.564 1.00 10.00 H new ATOM 0 HA ILE A 70 -4.598 -14.051 -2.354 1.00 10.00 H new ATOM 0 HB ILE A 70 -4.349 -11.552 -2.552 1.00 10.00 H new ATOM 0 HG12 ILE A 70 -5.299 -11.549 0.329 1.00 10.00 H new ATOM 0 HG13 ILE A 70 -3.658 -11.197 -0.174 1.00 10.00 H new ATOM 0 HG21 ILE A 70 -6.751 -11.076 -2.268 1.00 10.00 H new ATOM 0 HG22 ILE A 70 -6.476 -12.661 -3.029 1.00 10.00 H new ATOM 0 HG23 ILE A 70 -6.927 -12.566 -1.310 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -4.912 -9.137 0.227 1.00 10.00 H new ATOM 0 HD12 ILE A 70 -4.460 -9.269 -1.489 1.00 10.00 H new ATOM 0 HD13 ILE A 70 -6.127 -9.626 -0.978 1.00 10.00 H new ATOM 692 N ASP A 71 -2.151 -13.327 -2.541 1.00 10.00 N ATOM 693 CA ASP A 71 -0.694 -13.257 -2.596 1.00 10.00 C ATOM 694 C ASP A 71 -0.244 -11.860 -2.999 1.00 10.00 C ATOM 695 O ASP A 71 -1.030 -10.912 -2.954 1.00 10.00 O ATOM 696 CB ASP A 71 -0.144 -14.277 -3.603 1.00 10.00 C ATOM 697 CG ASP A 71 -0.362 -15.717 -3.185 1.00 10.00 C ATOM 698 OD1 ASP A 71 0.602 -16.349 -2.703 1.00 10.00 O ATOM 699 OD2 ASP A 71 -1.487 -16.228 -3.355 1.00 10.00 O ATOM 0 H ASP A 71 -2.603 -13.353 -3.455 1.00 10.00 H new ATOM 0 HA ASP A 71 -0.307 -13.488 -1.604 1.00 10.00 H new ATOM 0 HB2 ASP A 71 -0.618 -14.112 -4.571 1.00 10.00 H new ATOM 0 HB3 ASP A 71 0.924 -14.104 -3.737 1.00 10.00 H new ATOM 704 N THR A 72 1.021 -11.735 -3.399 1.00 10.00 N ATOM 705 CA THR A 72 1.566 -10.452 -3.830 1.00 10.00 C ATOM 706 C THR A 72 0.720 -9.839 -4.960 1.00 10.00 C ATOM 707 O THR A 72 0.234 -8.719 -4.817 1.00 10.00 O ATOM 708 CB THR A 72 3.036 -10.582 -4.278 1.00 10.00 C ATOM 709 OG1 THR A 72 3.791 -11.259 -3.268 1.00 10.00 O ATOM 710 CG2 THR A 72 3.650 -9.212 -4.559 1.00 10.00 C ATOM 0 H THR A 72 1.686 -12.508 -3.433 1.00 10.00 H new ATOM 0 HA THR A 72 1.531 -9.785 -2.969 1.00 10.00 H new ATOM 0 HB THR A 72 3.063 -11.160 -5.202 1.00 10.00 H new ATOM 0 HG1 THR A 72 4.724 -11.341 -3.557 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.687 -9.335 -4.873 1.00 10.00 H new ATOM 0 HG22 THR A 72 3.088 -8.717 -5.351 1.00 10.00 H new ATOM 0 HG23 THR A 72 3.615 -8.605 -3.654 1.00 10.00 H new ATOM 718 N PRO A 73 0.512 -10.550 -6.095 1.00 10.00 N ATOM 719 CA PRO A 73 -0.299 -10.019 -7.200 1.00 10.00 C ATOM 720 C PRO A 73 -1.767 -9.867 -6.805 1.00 10.00 C ATOM 721 O PRO A 73 -2.504 -9.076 -7.394 1.00 10.00 O ATOM 722 CB PRO A 73 -0.143 -11.069 -8.305 1.00 10.00 C ATOM 723 CG PRO A 73 0.237 -12.322 -7.601 1.00 10.00 C ATOM 724 CD PRO A 73 1.048 -11.893 -6.410 1.00 10.00 C ATOM 0 HA PRO A 73 0.024 -9.023 -7.504 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -1.072 -11.196 -8.861 1.00 10.00 H new ATOM 0 HB3 PRO A 73 0.621 -10.774 -9.024 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -0.647 -12.880 -7.292 1.00 10.00 H new ATOM 0 HG3 PRO A 73 0.816 -12.977 -8.253 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.927 -12.580 -5.573 1.00 10.00 H new ATOM 0 HD3 PRO A 73 2.113 -11.857 -6.641 1.00 10.00 H new ATOM 732 N GLY A 74 -2.166 -10.612 -5.781 1.00 10.00 N ATOM 733 CA GLY A 74 -3.532 -10.560 -5.300 1.00 10.00 C ATOM 734 C GLY A 74 -3.880 -9.207 -4.723 1.00 10.00 C ATOM 735 O GLY A 74 -4.913 -8.623 -5.064 1.00 10.00 O ATOM 0 H GLY A 74 -1.561 -11.256 -5.272 1.00 10.00 H new ATOM 0 HA2 GLY A 74 -4.213 -10.791 -6.119 1.00 10.00 H new ATOM 0 HA3 GLY A 74 -3.677 -11.327 -4.539 1.00 10.00 H new ATOM 739 N VAL A 75 -3.009 -8.693 -3.859 1.00 10.00 N ATOM 740 CA VAL A 75 -3.236 -7.390 -3.257 1.00 10.00 C ATOM 741 C VAL A 75 -3.008 -6.287 -4.288 1.00 10.00 C ATOM 742 O VAL A 75 -3.671 -5.252 -4.255 1.00 10.00 O ATOM 743 CB VAL A 75 -2.354 -7.150 -2.008 1.00 10.00 C ATOM 744 CG1 VAL A 75 -0.883 -7.028 -2.373 1.00 10.00 C ATOM 745 CG2 VAL A 75 -2.837 -5.915 -1.262 1.00 10.00 C ATOM 0 H VAL A 75 -2.149 -9.156 -3.565 1.00 10.00 H new ATOM 0 HA VAL A 75 -4.273 -7.367 -2.922 1.00 10.00 H new ATOM 0 HB VAL A 75 -2.448 -8.016 -1.353 1.00 10.00 H new ATOM 0 HG11 VAL A 75 -0.297 -6.860 -1.470 1.00 10.00 H new ATOM 0 HG12 VAL A 75 -0.551 -7.947 -2.856 1.00 10.00 H new ATOM 0 HG13 VAL A 75 -0.746 -6.189 -3.056 1.00 10.00 H new ATOM 0 HG21 VAL A 75 -2.212 -5.752 -0.384 1.00 10.00 H new ATOM 0 HG22 VAL A 75 -2.775 -5.046 -1.918 1.00 10.00 H new ATOM 0 HG23 VAL A 75 -3.871 -6.060 -0.949 1.00 10.00 H new ATOM 755 N ILE A 76 -2.085 -6.534 -5.221 1.00 10.00 N ATOM 756 CA ILE A 76 -1.779 -5.576 -6.280 1.00 10.00 C ATOM 757 C ILE A 76 -3.032 -5.307 -7.108 1.00 10.00 C ATOM 758 O ILE A 76 -3.320 -4.163 -7.471 1.00 10.00 O ATOM 759 CB ILE A 76 -0.630 -6.078 -7.190 1.00 10.00 C ATOM 760 CG1 ILE A 76 0.708 -5.945 -6.454 1.00 10.00 C ATOM 761 CG2 ILE A 76 -0.592 -5.312 -8.511 1.00 10.00 C ATOM 762 CD1 ILE A 76 1.890 -6.519 -7.213 1.00 10.00 C ATOM 0 H ILE A 76 -1.536 -7.393 -5.262 1.00 10.00 H new ATOM 0 HA ILE A 76 -1.446 -4.649 -5.813 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.810 -7.128 -7.423 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.897 -4.891 -6.252 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.631 -6.446 -5.489 1.00 10.00 H new ATOM 0 HG21 ILE A 76 0.225 -5.688 -9.126 1.00 10.00 H new ATOM 0 HG22 ILE A 76 -1.536 -5.449 -9.038 1.00 10.00 H new ATOM 0 HG23 ILE A 76 -0.438 -4.251 -8.312 1.00 10.00 H new ATOM 0 HD11 ILE A 76 2.799 -6.386 -6.626 1.00 10.00 H new ATOM 0 HD12 ILE A 76 1.726 -7.582 -7.392 1.00 10.00 H new ATOM 0 HD13 ILE A 76 1.995 -6.002 -8.167 1.00 10.00 H new ATOM 774 N ARG A 77 -3.785 -6.370 -7.378 1.00 10.00 N ATOM 775 CA ARG A 77 -5.027 -6.261 -8.128 1.00 10.00 C ATOM 776 C ARG A 77 -5.977 -5.323 -7.388 1.00 10.00 C ATOM 777 O ARG A 77 -6.619 -4.462 -7.986 1.00 10.00 O ATOM 778 CB ARG A 77 -5.663 -7.643 -8.288 1.00 10.00 C ATOM 779 CG ARG A 77 -6.563 -7.763 -9.506 1.00 10.00 C ATOM 780 CD ARG A 77 -7.097 -9.178 -9.666 1.00 10.00 C ATOM 781 NE ARG A 77 -8.208 -9.457 -8.754 1.00 10.00 N ATOM 782 CZ ARG A 77 -8.581 -10.684 -8.383 1.00 10.00 C ATOM 783 NH1 ARG A 77 -7.943 -11.746 -8.854 1.00 10.00 N ATOM 784 NH2 ARG A 77 -9.613 -10.850 -7.559 1.00 10.00 N ATOM 0 H ARG A 77 -3.553 -7.319 -7.086 1.00 10.00 H new ATOM 0 HA ARG A 77 -4.823 -5.858 -9.120 1.00 10.00 H new ATOM 0 HB2 ARG A 77 -4.873 -8.391 -8.356 1.00 10.00 H new ATOM 0 HB3 ARG A 77 -6.243 -7.872 -7.394 1.00 10.00 H new ATOM 0 HG2 ARG A 77 -7.396 -7.067 -9.414 1.00 10.00 H new ATOM 0 HG3 ARG A 77 -6.007 -7.479 -10.400 1.00 10.00 H new ATOM 0 HD2 ARG A 77 -7.428 -9.326 -10.694 1.00 10.00 H new ATOM 0 HD3 ARG A 77 -6.293 -9.891 -9.484 1.00 10.00 H new ATOM 0 HE ARG A 77 -8.729 -8.665 -8.379 1.00 10.00 H new ATOM 0 HH11 ARG A 77 -7.164 -11.627 -9.502 1.00 10.00 H new ATOM 0 HH12 ARG A 77 -8.231 -12.682 -8.568 1.00 10.00 H new ATOM 0 HH21 ARG A 77 -10.122 -10.038 -7.209 1.00 10.00 H new ATOM 0 HH22 ARG A 77 -9.895 -11.789 -7.278 1.00 10.00 H new ATOM 798 N ARG A 78 -6.023 -5.483 -6.069 1.00 10.00 N ATOM 799 CA ARG A 78 -6.868 -4.654 -5.218 1.00 10.00 C ATOM 800 C ARG A 78 -6.365 -3.211 -5.210 1.00 10.00 C ATOM 801 O ARG A 78 -7.144 -2.271 -5.347 1.00 10.00 O ATOM 802 CB ARG A 78 -6.876 -5.196 -3.788 1.00 10.00 C ATOM 803 CG ARG A 78 -7.644 -6.499 -3.622 1.00 10.00 C ATOM 804 CD ARG A 78 -9.144 -6.248 -3.573 1.00 10.00 C ATOM 805 NE ARG A 78 -9.810 -7.161 -2.645 1.00 10.00 N ATOM 806 CZ ARG A 78 -11.061 -7.016 -2.227 1.00 10.00 C ATOM 807 NH1 ARG A 78 -11.806 -6.006 -2.659 1.00 10.00 N ATOM 808 NH2 ARG A 78 -11.569 -7.880 -1.355 1.00 10.00 N ATOM 0 H ARG A 78 -5.481 -6.184 -5.564 1.00 10.00 H new ATOM 0 HA ARG A 78 -7.882 -4.678 -5.618 1.00 10.00 H new ATOM 0 HB2 ARG A 78 -5.847 -5.349 -3.463 1.00 10.00 H new ATOM 0 HB3 ARG A 78 -7.310 -4.444 -3.128 1.00 10.00 H new ATOM 0 HG2 ARG A 78 -7.411 -7.170 -4.449 1.00 10.00 H new ATOM 0 HG3 ARG A 78 -7.326 -6.998 -2.707 1.00 10.00 H new ATOM 0 HD2 ARG A 78 -9.332 -5.218 -3.270 1.00 10.00 H new ATOM 0 HD3 ARG A 78 -9.567 -6.369 -4.570 1.00 10.00 H new ATOM 0 HE ARG A 78 -9.279 -7.960 -2.297 1.00 10.00 H new ATOM 0 HH11 ARG A 78 -11.418 -5.332 -3.319 1.00 10.00 H new ATOM 0 HH12 ARG A 78 -12.766 -5.904 -2.331 1.00 10.00 H new ATOM 0 HH21 ARG A 78 -10.998 -8.651 -1.009 1.00 10.00 H new ATOM 0 HH22 ARG A 78 -12.530 -7.772 -1.031 1.00 10.00 H new ATOM 822 N VAL A 79 -5.053 -3.052 -5.054 1.00 10.00 N ATOM 823 CA VAL A 79 -4.417 -1.739 -5.023 1.00 10.00 C ATOM 824 C VAL A 79 -4.749 -0.933 -6.279 1.00 10.00 C ATOM 825 O VAL A 79 -5.076 0.250 -6.197 1.00 10.00 O ATOM 826 CB VAL A 79 -2.878 -1.866 -4.884 1.00 10.00 C ATOM 827 CG1 VAL A 79 -2.196 -0.525 -5.066 1.00 10.00 C ATOM 828 CG2 VAL A 79 -2.520 -2.461 -3.535 1.00 10.00 C ATOM 0 H VAL A 79 -4.402 -3.830 -4.946 1.00 10.00 H new ATOM 0 HA VAL A 79 -4.810 -1.214 -4.152 1.00 10.00 H new ATOM 0 HB VAL A 79 -2.523 -2.532 -5.671 1.00 10.00 H new ATOM 0 HG11 VAL A 79 -1.118 -0.648 -4.963 1.00 10.00 H new ATOM 0 HG12 VAL A 79 -2.423 -0.133 -6.057 1.00 10.00 H new ATOM 0 HG13 VAL A 79 -2.556 0.172 -4.309 1.00 10.00 H new ATOM 0 HG21 VAL A 79 -1.437 -2.545 -3.450 1.00 10.00 H new ATOM 0 HG22 VAL A 79 -2.897 -1.816 -2.741 1.00 10.00 H new ATOM 0 HG23 VAL A 79 -2.969 -3.450 -3.443 1.00 10.00 H new ATOM 838 N SER A 80 -4.694 -1.595 -7.427 1.00 10.00 N ATOM 839 CA SER A 80 -4.974 -0.944 -8.699 1.00 10.00 C ATOM 840 C SER A 80 -6.423 -0.471 -8.793 1.00 10.00 C ATOM 841 O SER A 80 -6.715 0.514 -9.465 1.00 10.00 O ATOM 842 CB SER A 80 -4.660 -1.890 -9.860 1.00 10.00 C ATOM 843 OG SER A 80 -3.342 -2.401 -9.761 1.00 10.00 O ATOM 0 H SER A 80 -4.458 -2.584 -7.503 1.00 10.00 H new ATOM 0 HA SER A 80 -4.333 -0.065 -8.761 1.00 10.00 H new ATOM 0 HB2 SER A 80 -5.373 -2.714 -9.864 1.00 10.00 H new ATOM 0 HB3 SER A 80 -4.778 -1.361 -10.806 1.00 10.00 H new ATOM 0 HG SER A 80 -3.295 -3.043 -9.022 1.00 10.00 H new ATOM 849 N GLN A 81 -7.329 -1.179 -8.126 1.00 10.00 N ATOM 850 CA GLN A 81 -8.741 -0.819 -8.150 1.00 10.00 C ATOM 851 C GLN A 81 -9.078 0.186 -7.051 1.00 10.00 C ATOM 852 O GLN A 81 -9.915 1.067 -7.241 1.00 10.00 O ATOM 853 CB GLN A 81 -9.618 -2.065 -7.999 1.00 10.00 C ATOM 854 CG GLN A 81 -9.480 -3.062 -9.137 1.00 10.00 C ATOM 855 CD GLN A 81 -9.833 -2.469 -10.488 1.00 10.00 C ATOM 856 OE1 GLN A 81 -10.994 -2.463 -10.896 1.00 10.00 O ATOM 857 NE2 GLN A 81 -8.830 -1.980 -11.199 1.00 10.00 N ATOM 0 H GLN A 81 -7.111 -2.002 -7.564 1.00 10.00 H new ATOM 0 HA GLN A 81 -8.944 -0.354 -9.115 1.00 10.00 H new ATOM 0 HB2 GLN A 81 -9.366 -2.562 -7.062 1.00 10.00 H new ATOM 0 HB3 GLN A 81 -10.661 -1.756 -7.926 1.00 10.00 H new ATOM 0 HG2 GLN A 81 -8.456 -3.434 -9.165 1.00 10.00 H new ATOM 0 HG3 GLN A 81 -10.125 -3.919 -8.943 1.00 10.00 H new ATOM 0 HE21 GLN A 81 -7.881 -2.003 -10.826 1.00 10.00 H new ATOM 0 HE22 GLN A 81 -9.006 -1.580 -12.121 1.00 10.00 H new ATOM 866 N LEU A 82 -8.437 0.040 -5.897 1.00 10.00 N ATOM 867 CA LEU A 82 -8.676 0.926 -4.765 1.00 10.00 C ATOM 868 C LEU A 82 -8.049 2.297 -5.000 1.00 10.00 C ATOM 869 O LEU A 82 -8.724 3.323 -4.921 1.00 10.00 O ATOM 870 CB LEU A 82 -8.120 0.304 -3.484 1.00 10.00 C ATOM 871 CG LEU A 82 -8.527 1.012 -2.190 1.00 10.00 C ATOM 872 CD1 LEU A 82 -10.008 0.824 -1.918 1.00 10.00 C ATOM 873 CD2 LEU A 82 -7.706 0.500 -1.021 1.00 10.00 C ATOM 0 H LEU A 82 -7.744 -0.688 -5.721 1.00 10.00 H new ATOM 0 HA LEU A 82 -9.753 1.059 -4.658 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -8.448 -0.734 -3.431 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -7.032 0.292 -3.547 1.00 10.00 H new ATOM 0 HG LEU A 82 -8.332 2.078 -2.310 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -10.276 1.335 -0.993 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -10.585 1.241 -2.743 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -10.228 -0.239 -1.821 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -8.010 1.015 -0.110 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -7.869 -0.571 -0.904 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -6.649 0.688 -1.209 1.00 10.00 H new ATOM 885 N PHE A 83 -6.760 2.311 -5.301 1.00 10.00 N ATOM 886 CA PHE A 83 -6.039 3.559 -5.547 1.00 10.00 C ATOM 887 C PHE A 83 -6.084 3.893 -7.036 1.00 10.00 C ATOM 888 O PHE A 83 -5.119 4.393 -7.609 1.00 10.00 O ATOM 889 CB PHE A 83 -4.581 3.440 -5.076 1.00 10.00 C ATOM 890 CG PHE A 83 -4.431 2.987 -3.646 1.00 10.00 C ATOM 891 CD1 PHE A 83 -4.335 3.911 -2.617 1.00 10.00 C ATOM 892 CD2 PHE A 83 -4.376 1.637 -3.332 1.00 10.00 C ATOM 893 CE1 PHE A 83 -4.191 3.494 -1.304 1.00 10.00 C ATOM 894 CE2 PHE A 83 -4.233 1.216 -2.023 1.00 10.00 C ATOM 895 CZ PHE A 83 -4.140 2.148 -1.009 1.00 10.00 C ATOM 0 H PHE A 83 -6.186 1.472 -5.382 1.00 10.00 H new ATOM 0 HA PHE A 83 -6.518 4.360 -4.984 1.00 10.00 H new ATOM 0 HB2 PHE A 83 -4.057 2.738 -5.725 1.00 10.00 H new ATOM 0 HB3 PHE A 83 -4.093 4.408 -5.192 1.00 10.00 H new ATOM 0 HD1 PHE A 83 -4.373 4.967 -2.841 1.00 10.00 H new ATOM 0 HD2 PHE A 83 -4.446 0.904 -4.122 1.00 10.00 H new ATOM 0 HE1 PHE A 83 -4.119 4.223 -0.511 1.00 10.00 H new ATOM 0 HE2 PHE A 83 -4.194 0.161 -1.794 1.00 10.00 H new ATOM 0 HZ PHE A 83 -4.027 1.823 0.015 1.00 10.00 H new ATOM 905 N HIS A 84 -7.234 3.633 -7.640 1.00 10.00 N ATOM 906 CA HIS A 84 -7.451 3.864 -9.068 1.00 10.00 C ATOM 907 C HIS A 84 -7.245 5.327 -9.464 1.00 10.00 C ATOM 908 O HIS A 84 -6.764 5.611 -10.563 1.00 10.00 O ATOM 909 CB HIS A 84 -8.863 3.396 -9.473 1.00 10.00 C ATOM 910 CG HIS A 84 -9.984 4.147 -8.816 1.00 10.00 C ATOM 911 ND1 HIS A 84 -10.986 4.725 -9.559 1.00 10.00 N ATOM 912 CD2 HIS A 84 -10.214 4.395 -7.503 1.00 10.00 C ATOM 913 CE1 HIS A 84 -11.791 5.308 -8.693 1.00 10.00 C ATOM 914 NE2 HIS A 84 -11.363 5.132 -7.437 1.00 10.00 N ATOM 0 H HIS A 84 -8.048 3.255 -7.156 1.00 10.00 H new ATOM 0 HA HIS A 84 -6.704 3.280 -9.605 1.00 10.00 H new ATOM 0 HB2 HIS A 84 -8.966 3.489 -10.554 1.00 10.00 H new ATOM 0 HB3 HIS A 84 -8.963 2.337 -9.233 1.00 10.00 H new ATOM 0 HD2 HIS A 84 -9.607 4.072 -6.670 1.00 10.00 H new ATOM 0 HE1 HIS A 84 -12.681 5.857 -8.962 1.00 10.00 H new ATOM 0 HE2 HIS A 84 -11.810 5.482 -6.590 1.00 10.00 H new ATOM 922 N GLU A 85 -7.598 6.248 -8.576 1.00 10.00 N ATOM 923 CA GLU A 85 -7.457 7.669 -8.863 1.00 10.00 C ATOM 924 C GLU A 85 -6.135 8.216 -8.339 1.00 10.00 C ATOM 925 O GLU A 85 -5.894 9.424 -8.391 1.00 10.00 O ATOM 926 CB GLU A 85 -8.620 8.460 -8.265 1.00 10.00 C ATOM 927 CG GLU A 85 -9.882 8.421 -9.105 1.00 10.00 C ATOM 928 CD GLU A 85 -9.622 8.782 -10.554 1.00 10.00 C ATOM 929 OE1 GLU A 85 -8.984 9.827 -10.807 1.00 10.00 O ATOM 930 OE2 GLU A 85 -10.051 8.017 -11.447 1.00 10.00 O ATOM 0 H GLU A 85 -7.982 6.037 -7.655 1.00 10.00 H new ATOM 0 HA GLU A 85 -7.469 7.784 -9.947 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -8.843 8.067 -7.273 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -8.313 9.498 -8.135 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -10.318 7.423 -9.054 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -10.615 9.111 -8.687 1.00 10.00 H new ATOM 937 N HIS A 86 -5.278 7.333 -7.853 1.00 10.00 N ATOM 938 CA HIS A 86 -3.981 7.742 -7.330 1.00 10.00 C ATOM 939 C HIS A 86 -2.879 6.832 -7.876 1.00 10.00 C ATOM 940 O HIS A 86 -2.336 5.996 -7.152 1.00 10.00 O ATOM 941 CB HIS A 86 -3.982 7.728 -5.793 1.00 10.00 C ATOM 942 CG HIS A 86 -4.815 8.815 -5.178 1.00 10.00 C ATOM 943 ND1 HIS A 86 -6.171 8.660 -4.993 1.00 10.00 N ATOM 944 CD2 HIS A 86 -4.448 10.046 -4.740 1.00 10.00 C ATOM 945 CE1 HIS A 86 -6.594 9.789 -4.457 1.00 10.00 C ATOM 946 NE2 HIS A 86 -5.587 10.657 -4.285 1.00 10.00 N ATOM 0 H HIS A 86 -5.455 6.329 -7.809 1.00 10.00 H new ATOM 0 HA HIS A 86 -3.784 8.763 -7.658 1.00 10.00 H new ATOM 0 HB2 HIS A 86 -4.350 6.762 -5.448 1.00 10.00 H new ATOM 0 HB3 HIS A 86 -2.956 7.824 -5.437 1.00 10.00 H new ATOM 0 HD2 HIS A 86 -3.452 10.463 -4.748 1.00 10.00 H new ATOM 0 HE1 HIS A 86 -7.621 9.989 -4.191 1.00 10.00 H new ATOM 0 HE2 HIS A 86 -5.656 11.595 -3.890 1.00 10.00 H new ATOM 954 N PRO A 87 -2.543 6.981 -9.176 1.00 10.00 N ATOM 955 CA PRO A 87 -1.516 6.161 -9.838 1.00 10.00 C ATOM 956 C PRO A 87 -0.151 6.320 -9.182 1.00 10.00 C ATOM 957 O PRO A 87 0.637 5.374 -9.117 1.00 10.00 O ATOM 958 CB PRO A 87 -1.484 6.701 -11.275 1.00 10.00 C ATOM 959 CG PRO A 87 -2.769 7.427 -11.453 1.00 10.00 C ATOM 960 CD PRO A 87 -3.129 7.972 -10.101 1.00 10.00 C ATOM 0 HA PRO A 87 -1.746 5.097 -9.780 1.00 10.00 H new ATOM 0 HB2 PRO A 87 -0.633 7.365 -11.426 1.00 10.00 H new ATOM 0 HB3 PRO A 87 -1.388 5.890 -11.997 1.00 10.00 H new ATOM 0 HG2 PRO A 87 -2.665 8.230 -12.182 1.00 10.00 H new ATOM 0 HG3 PRO A 87 -3.546 6.759 -11.824 1.00 10.00 H new ATOM 0 HD2 PRO A 87 -2.713 8.967 -9.943 1.00 10.00 H new ATOM 0 HD3 PRO A 87 -4.208 8.054 -9.973 1.00 10.00 H new ATOM 968 N ASP A 88 0.104 7.519 -8.672 1.00 10.00 N ATOM 969 CA ASP A 88 1.363 7.832 -8.008 1.00 10.00 C ATOM 970 C ASP A 88 1.589 6.897 -6.831 1.00 10.00 C ATOM 971 O ASP A 88 2.703 6.441 -6.591 1.00 10.00 O ATOM 972 CB ASP A 88 1.371 9.287 -7.514 1.00 10.00 C ATOM 973 CG ASP A 88 0.967 10.283 -8.587 1.00 10.00 C ATOM 974 OD1 ASP A 88 1.855 10.953 -9.151 1.00 10.00 O ATOM 975 OD2 ASP A 88 -0.244 10.402 -8.867 1.00 10.00 O ATOM 0 H ASP A 88 -0.553 8.298 -8.707 1.00 10.00 H new ATOM 0 HA ASP A 88 2.167 7.700 -8.733 1.00 10.00 H new ATOM 0 HB2 ASP A 88 0.692 9.380 -6.666 1.00 10.00 H new ATOM 0 HB3 ASP A 88 2.369 9.536 -7.153 1.00 10.00 H new ATOM 980 N LEU A 89 0.511 6.587 -6.121 1.00 10.00 N ATOM 981 CA LEU A 89 0.581 5.714 -4.956 1.00 10.00 C ATOM 982 C LEU A 89 0.789 4.260 -5.365 1.00 10.00 C ATOM 983 O LEU A 89 1.420 3.485 -4.641 1.00 10.00 O ATOM 984 CB LEU A 89 -0.691 5.850 -4.123 1.00 10.00 C ATOM 985 CG LEU A 89 -0.870 7.202 -3.421 1.00 10.00 C ATOM 986 CD1 LEU A 89 -2.134 7.198 -2.570 1.00 10.00 C ATOM 987 CD2 LEU A 89 0.343 7.523 -2.562 1.00 10.00 C ATOM 0 H LEU A 89 -0.426 6.929 -6.333 1.00 10.00 H new ATOM 0 HA LEU A 89 1.438 6.020 -4.356 1.00 10.00 H new ATOM 0 HB2 LEU A 89 -1.551 5.678 -4.771 1.00 10.00 H new ATOM 0 HB3 LEU A 89 -0.698 5.063 -3.369 1.00 10.00 H new ATOM 0 HG LEU A 89 -0.967 7.974 -4.184 1.00 10.00 H new ATOM 0 HD11 LEU A 89 -2.245 8.165 -2.079 1.00 10.00 H new ATOM 0 HD12 LEU A 89 -3.000 7.012 -3.205 1.00 10.00 H new ATOM 0 HD13 LEU A 89 -2.062 6.414 -1.816 1.00 10.00 H new ATOM 0 HD21 LEU A 89 0.197 8.486 -2.072 1.00 10.00 H new ATOM 0 HD22 LEU A 89 0.470 6.747 -1.807 1.00 10.00 H new ATOM 0 HD23 LEU A 89 1.233 7.567 -3.190 1.00 10.00 H new ATOM 999 N ILE A 90 0.252 3.890 -6.522 1.00 10.00 N ATOM 1000 CA ILE A 90 0.392 2.526 -7.023 1.00 10.00 C ATOM 1001 C ILE A 90 1.843 2.258 -7.418 1.00 10.00 C ATOM 1002 O ILE A 90 2.418 1.223 -7.070 1.00 10.00 O ATOM 1003 CB ILE A 90 -0.529 2.260 -8.238 1.00 10.00 C ATOM 1004 CG1 ILE A 90 -1.937 2.796 -7.975 1.00 10.00 C ATOM 1005 CG2 ILE A 90 -0.578 0.770 -8.545 1.00 10.00 C ATOM 1006 CD1 ILE A 90 -2.886 2.612 -9.141 1.00 10.00 C ATOM 0 H ILE A 90 -0.282 4.512 -7.129 1.00 10.00 H new ATOM 0 HA ILE A 90 0.095 1.852 -6.219 1.00 10.00 H new ATOM 0 HB ILE A 90 -0.120 2.783 -9.103 1.00 10.00 H new ATOM 0 HG12 ILE A 90 -2.350 2.294 -7.100 1.00 10.00 H new ATOM 0 HG13 ILE A 90 -1.873 3.857 -7.734 1.00 10.00 H new ATOM 0 HG21 ILE A 90 -1.229 0.596 -9.402 1.00 10.00 H new ATOM 0 HG22 ILE A 90 0.426 0.412 -8.774 1.00 10.00 H new ATOM 0 HG23 ILE A 90 -0.966 0.233 -7.680 1.00 10.00 H new ATOM 0 HD11 ILE A 90 -3.864 3.016 -8.881 1.00 10.00 H new ATOM 0 HD12 ILE A 90 -2.497 3.137 -10.013 1.00 10.00 H new ATOM 0 HD13 ILE A 90 -2.981 1.550 -9.369 1.00 10.00 H new ATOM 1018 N VAL A 91 2.433 3.212 -8.133 1.00 10.00 N ATOM 1019 CA VAL A 91 3.816 3.097 -8.574 1.00 10.00 C ATOM 1020 C VAL A 91 4.763 3.197 -7.381 1.00 10.00 C ATOM 1021 O VAL A 91 5.799 2.533 -7.338 1.00 10.00 O ATOM 1022 CB VAL A 91 4.179 4.189 -9.610 1.00 10.00 C ATOM 1023 CG1 VAL A 91 5.547 3.918 -10.218 1.00 10.00 C ATOM 1024 CG2 VAL A 91 3.117 4.274 -10.697 1.00 10.00 C ATOM 0 H VAL A 91 1.971 4.075 -8.419 1.00 10.00 H new ATOM 0 HA VAL A 91 3.925 2.123 -9.050 1.00 10.00 H new ATOM 0 HB VAL A 91 4.217 5.149 -9.094 1.00 10.00 H new ATOM 0 HG11 VAL A 91 5.783 4.696 -10.943 1.00 10.00 H new ATOM 0 HG12 VAL A 91 6.301 3.914 -9.431 1.00 10.00 H new ATOM 0 HG13 VAL A 91 5.538 2.949 -10.716 1.00 10.00 H new ATOM 0 HG21 VAL A 91 3.392 5.047 -11.414 1.00 10.00 H new ATOM 0 HG22 VAL A 91 3.042 3.314 -11.209 1.00 10.00 H new ATOM 0 HG23 VAL A 91 2.155 4.521 -10.248 1.00 10.00 H new ATOM 1034 N GLY A 92 4.392 4.023 -6.406 1.00 10.00 N ATOM 1035 CA GLY A 92 5.215 4.195 -5.227 1.00 10.00 C ATOM 1036 C GLY A 92 5.410 2.901 -4.463 1.00 10.00 C ATOM 1037 O GLY A 92 6.532 2.552 -4.093 1.00 10.00 O ATOM 0 H GLY A 92 3.535 4.576 -6.414 1.00 10.00 H new ATOM 0 HA2 GLY A 92 6.187 4.590 -5.521 1.00 10.00 H new ATOM 0 HA3 GLY A 92 4.755 4.935 -4.572 1.00 10.00 H new ATOM 1041 N PHE A 93 4.320 2.175 -4.253 1.00 10.00 N ATOM 1042 CA PHE A 93 4.365 0.910 -3.528 1.00 10.00 C ATOM 1043 C PHE A 93 5.241 -0.110 -4.252 1.00 10.00 C ATOM 1044 O PHE A 93 5.902 -0.933 -3.620 1.00 10.00 O ATOM 1045 CB PHE A 93 2.945 0.358 -3.352 1.00 10.00 C ATOM 1046 CG PHE A 93 2.880 -0.944 -2.595 1.00 10.00 C ATOM 1047 CD1 PHE A 93 3.249 -1.007 -1.259 1.00 10.00 C ATOM 1048 CD2 PHE A 93 2.453 -2.106 -3.221 1.00 10.00 C ATOM 1049 CE1 PHE A 93 3.195 -2.202 -0.565 1.00 10.00 C ATOM 1050 CE2 PHE A 93 2.395 -3.304 -2.531 1.00 10.00 C ATOM 1051 CZ PHE A 93 2.767 -3.353 -1.203 1.00 10.00 C ATOM 0 H PHE A 93 3.390 2.441 -4.576 1.00 10.00 H new ATOM 0 HA PHE A 93 4.804 1.094 -2.547 1.00 10.00 H new ATOM 0 HB2 PHE A 93 2.340 1.100 -2.830 1.00 10.00 H new ATOM 0 HB3 PHE A 93 2.497 0.217 -4.336 1.00 10.00 H new ATOM 0 HD1 PHE A 93 3.582 -0.112 -0.755 1.00 10.00 H new ATOM 0 HD2 PHE A 93 2.162 -2.075 -4.261 1.00 10.00 H new ATOM 0 HE1 PHE A 93 3.487 -2.237 0.474 1.00 10.00 H new ATOM 0 HE2 PHE A 93 2.059 -4.200 -3.031 1.00 10.00 H new ATOM 0 HZ PHE A 93 2.724 -4.287 -0.663 1.00 10.00 H new ATOM 1061 N ASN A 94 5.262 -0.026 -5.577 1.00 10.00 N ATOM 1062 CA ASN A 94 6.048 -0.946 -6.399 1.00 10.00 C ATOM 1063 C ASN A 94 7.541 -0.846 -6.092 1.00 10.00 C ATOM 1064 O ASN A 94 8.243 -1.853 -6.066 1.00 10.00 O ATOM 1065 CB ASN A 94 5.810 -0.659 -7.885 1.00 10.00 C ATOM 1066 CG ASN A 94 4.894 -1.680 -8.534 1.00 10.00 C ATOM 1067 OD1 ASN A 94 5.349 -2.718 -9.017 1.00 10.00 O ATOM 1068 ND2 ASN A 94 3.600 -1.390 -8.563 1.00 10.00 N ATOM 0 H ASN A 94 4.742 0.672 -6.109 1.00 10.00 H new ATOM 0 HA ASN A 94 5.721 -1.958 -6.161 1.00 10.00 H new ATOM 0 HB2 ASN A 94 5.377 0.335 -7.995 1.00 10.00 H new ATOM 0 HB3 ASN A 94 6.766 -0.649 -8.408 1.00 10.00 H new ATOM 0 HD21 ASN A 94 2.942 -2.037 -8.997 1.00 10.00 H new ATOM 0 HD22 ASN A 94 3.263 -0.520 -8.152 1.00 10.00 H new ATOM 1075 N ALA A 95 8.015 0.367 -5.844 1.00 10.00 N ATOM 1076 CA ALA A 95 9.426 0.592 -5.557 1.00 10.00 C ATOM 1077 C ALA A 95 9.693 0.650 -4.056 1.00 10.00 C ATOM 1078 O ALA A 95 10.848 0.691 -3.618 1.00 10.00 O ATOM 1079 CB ALA A 95 9.898 1.872 -6.229 1.00 10.00 C ATOM 0 H ALA A 95 7.443 1.212 -5.836 1.00 10.00 H new ATOM 0 HA ALA A 95 9.988 -0.252 -5.958 1.00 10.00 H new ATOM 0 HB1 ALA A 95 10.954 2.031 -6.008 1.00 10.00 H new ATOM 0 HB2 ALA A 95 9.761 1.789 -7.307 1.00 10.00 H new ATOM 0 HB3 ALA A 95 9.318 2.715 -5.854 1.00 10.00 H new ATOM 1085 N PHE A 96 8.627 0.663 -3.273 1.00 10.00 N ATOM 1086 CA PHE A 96 8.747 0.722 -1.820 1.00 10.00 C ATOM 1087 C PHE A 96 8.977 -0.669 -1.238 1.00 10.00 C ATOM 1088 O PHE A 96 9.454 -0.809 -0.115 1.00 10.00 O ATOM 1089 CB PHE A 96 7.492 1.331 -1.204 1.00 10.00 C ATOM 1090 CG PHE A 96 7.765 2.481 -0.278 1.00 10.00 C ATOM 1091 CD1 PHE A 96 8.158 3.708 -0.780 1.00 10.00 C ATOM 1092 CD2 PHE A 96 7.628 2.333 1.094 1.00 10.00 C ATOM 1093 CE1 PHE A 96 8.406 4.773 0.064 1.00 10.00 C ATOM 1094 CE2 PHE A 96 7.874 3.392 1.945 1.00 10.00 C ATOM 1095 CZ PHE A 96 8.265 4.615 1.430 1.00 10.00 C ATOM 0 H PHE A 96 7.667 0.634 -3.616 1.00 10.00 H new ATOM 0 HA PHE A 96 9.605 1.351 -1.581 1.00 10.00 H new ATOM 0 HB2 PHE A 96 6.834 1.670 -2.004 1.00 10.00 H new ATOM 0 HB3 PHE A 96 6.955 0.556 -0.657 1.00 10.00 H new ATOM 0 HD1 PHE A 96 8.273 3.835 -1.846 1.00 10.00 H new ATOM 0 HD2 PHE A 96 7.326 1.379 1.501 1.00 10.00 H new ATOM 0 HE1 PHE A 96 8.709 5.727 -0.342 1.00 10.00 H new ATOM 0 HE2 PHE A 96 7.761 3.266 3.012 1.00 10.00 H new ATOM 0 HZ PHE A 96 8.460 5.444 2.094 1.00 10.00 H new ATOM 1105 N LEU A 97 8.633 -1.687 -2.015 1.00 10.00 N ATOM 1106 CA LEU A 97 8.792 -3.081 -1.598 1.00 10.00 C ATOM 1107 C LEU A 97 10.248 -3.401 -1.251 1.00 10.00 C ATOM 1108 O LEU A 97 11.142 -3.240 -2.084 1.00 10.00 O ATOM 1109 CB LEU A 97 8.318 -4.010 -2.716 1.00 10.00 C ATOM 1110 CG LEU A 97 6.826 -3.937 -3.027 1.00 10.00 C ATOM 1111 CD1 LEU A 97 6.505 -4.696 -4.303 1.00 10.00 C ATOM 1112 CD2 LEU A 97 6.015 -4.489 -1.869 1.00 10.00 C ATOM 0 H LEU A 97 8.237 -1.575 -2.948 1.00 10.00 H new ATOM 0 HA LEU A 97 8.188 -3.235 -0.703 1.00 10.00 H new ATOM 0 HB2 LEU A 97 8.875 -3.775 -3.623 1.00 10.00 H new ATOM 0 HB3 LEU A 97 8.567 -5.036 -2.445 1.00 10.00 H new ATOM 0 HG LEU A 97 6.559 -2.890 -3.173 1.00 10.00 H new ATOM 0 HD11 LEU A 97 5.436 -4.631 -4.506 1.00 10.00 H new ATOM 0 HD12 LEU A 97 7.059 -4.261 -5.134 1.00 10.00 H new ATOM 0 HD13 LEU A 97 6.789 -5.742 -4.186 1.00 10.00 H new ATOM 0 HD21 LEU A 97 4.953 -4.429 -2.107 1.00 10.00 H new ATOM 0 HD22 LEU A 97 6.290 -5.529 -1.695 1.00 10.00 H new ATOM 0 HD23 LEU A 97 6.219 -3.905 -0.971 1.00 10.00 H new ATOM 1124 N PRO A 98 10.504 -3.851 -0.010 1.00 10.00 N ATOM 1125 CA PRO A 98 11.856 -4.201 0.444 1.00 10.00 C ATOM 1126 C PRO A 98 12.313 -5.561 -0.079 1.00 10.00 C ATOM 1127 O PRO A 98 13.498 -5.901 -0.012 1.00 10.00 O ATOM 1128 CB PRO A 98 11.710 -4.239 1.968 1.00 10.00 C ATOM 1129 CG PRO A 98 10.284 -4.578 2.217 1.00 10.00 C ATOM 1130 CD PRO A 98 9.500 -4.027 1.056 1.00 10.00 C ATOM 0 HA PRO A 98 12.604 -3.494 0.085 1.00 10.00 H new ATOM 0 HB2 PRO A 98 12.374 -4.983 2.408 1.00 10.00 H new ATOM 0 HB3 PRO A 98 11.969 -3.278 2.412 1.00 10.00 H new ATOM 0 HG2 PRO A 98 10.151 -5.657 2.297 1.00 10.00 H new ATOM 0 HG3 PRO A 98 9.941 -4.144 3.156 1.00 10.00 H new ATOM 0 HD2 PRO A 98 8.709 -4.712 0.749 1.00 10.00 H new ATOM 0 HD3 PRO A 98 9.021 -3.082 1.312 1.00 10.00 H new ATOM 1138 N SER A 99 11.374 -6.335 -0.603 1.00 10.00 N ATOM 1139 CA SER A 99 11.683 -7.653 -1.123 1.00 10.00 C ATOM 1140 C SER A 99 11.650 -7.651 -2.645 1.00 10.00 C ATOM 1141 O SER A 99 10.589 -7.500 -3.255 1.00 10.00 O ATOM 1142 CB SER A 99 10.689 -8.677 -0.573 1.00 10.00 C ATOM 1143 OG SER A 99 10.461 -8.468 0.817 1.00 10.00 O ATOM 0 H SER A 99 10.392 -6.070 -0.678 1.00 10.00 H new ATOM 0 HA SER A 99 12.688 -7.926 -0.803 1.00 10.00 H new ATOM 0 HB2 SER A 99 9.746 -8.603 -1.115 1.00 10.00 H new ATOM 0 HB3 SER A 99 11.072 -9.685 -0.735 1.00 10.00 H new ATOM 0 HG SER A 99 9.821 -9.133 1.147 1.00 10.00 H new ATOM 1149 N GLY A 100 12.812 -7.797 -3.255 1.00 10.00 N ATOM 1150 CA GLY A 100 12.891 -7.811 -4.697 1.00 10.00 C ATOM 1151 C GLY A 100 13.914 -8.811 -5.191 1.00 10.00 C ATOM 1152 O GLY A 100 14.120 -9.845 -4.555 1.00 10.00 O ATOM 0 H GLY A 100 13.706 -7.907 -2.775 1.00 10.00 H new ATOM 0 HA2 GLY A 100 11.913 -8.055 -5.113 1.00 10.00 H new ATOM 0 HA3 GLY A 100 13.151 -6.816 -5.057 1.00 10.00 H new ATOM 1156 N PRO A 101 14.593 -8.517 -6.312 1.00 10.00 N ATOM 1157 CA PRO A 101 15.606 -9.410 -6.879 1.00 10.00 C ATOM 1158 C PRO A 101 16.905 -9.401 -6.082 1.00 10.00 C ATOM 1159 O PRO A 101 17.825 -10.171 -6.362 1.00 10.00 O ATOM 1160 CB PRO A 101 15.839 -8.843 -8.276 1.00 10.00 C ATOM 1161 CG PRO A 101 15.486 -7.400 -8.178 1.00 10.00 C ATOM 1162 CD PRO A 101 14.420 -7.294 -7.120 1.00 10.00 C ATOM 0 HA PRO A 101 15.276 -10.449 -6.873 1.00 10.00 H new ATOM 0 HB2 PRO A 101 16.876 -8.974 -8.586 1.00 10.00 H new ATOM 0 HB3 PRO A 101 15.219 -9.350 -9.015 1.00 10.00 H new ATOM 0 HG2 PRO A 101 16.359 -6.804 -7.911 1.00 10.00 H new ATOM 0 HG3 PRO A 101 15.123 -7.023 -9.134 1.00 10.00 H new ATOM 0 HD2 PRO A 101 14.546 -6.396 -6.516 1.00 10.00 H new ATOM 0 HD3 PRO A 101 13.424 -7.245 -7.561 1.00 10.00 H new ATOM 1170 N SER A 102 16.979 -8.521 -5.094 1.00 10.00 N ATOM 1171 CA SER A 102 18.157 -8.411 -4.254 1.00 10.00 C ATOM 1172 C SER A 102 18.337 -9.667 -3.402 1.00 10.00 C ATOM 1173 O SER A 102 17.364 -10.374 -3.113 1.00 10.00 O ATOM 1174 CB SER A 102 18.047 -7.181 -3.354 1.00 10.00 C ATOM 1175 OG SER A 102 17.428 -6.106 -4.039 1.00 10.00 O ATOM 0 H SER A 102 16.231 -7.870 -4.856 1.00 10.00 H new ATOM 0 HA SER A 102 19.029 -8.306 -4.900 1.00 10.00 H new ATOM 0 HB2 SER A 102 17.471 -7.429 -2.462 1.00 10.00 H new ATOM 0 HB3 SER A 102 19.040 -6.880 -3.019 1.00 10.00 H new ATOM 0 HG SER A 102 17.367 -5.330 -3.443 1.00 10.00 H new ATOM 1181 N SER A 103 19.578 -9.948 -3.026 1.00 10.00 N ATOM 1182 CA SER A 103 19.896 -11.113 -2.208 1.00 10.00 C ATOM 1183 C SER A 103 19.148 -11.054 -0.876 1.00 10.00 C ATOM 1184 O SER A 103 19.191 -10.039 -0.176 1.00 10.00 O ATOM 1185 CB SER A 103 21.410 -11.180 -1.959 1.00 10.00 C ATOM 1186 OG SER A 103 21.792 -12.417 -1.378 1.00 10.00 O ATOM 0 H SER A 103 20.387 -9.380 -3.277 1.00 10.00 H new ATOM 0 HA SER A 103 19.581 -12.010 -2.742 1.00 10.00 H new ATOM 0 HB2 SER A 103 21.940 -11.041 -2.901 1.00 10.00 H new ATOM 0 HB3 SER A 103 21.707 -10.362 -1.302 1.00 10.00 H new ATOM 0 HG SER A 103 22.761 -12.426 -1.235 1.00 10.00 H new ATOM 1192 N GLY A 104 18.459 -12.134 -0.533 1.00 10.00 N ATOM 1193 CA GLY A 104 17.717 -12.167 0.712 1.00 10.00 C ATOM 1194 C GLY A 104 16.387 -12.871 0.570 1.00 10.00 C ATOM 1195 O GLY A 104 15.992 -13.250 -0.537 1.00 10.00 O ATOM 0 H GLY A 104 18.400 -12.985 -1.092 1.00 10.00 H new ATOM 0 HA2 GLY A 104 18.312 -12.671 1.474 1.00 10.00 H new ATOM 0 HA3 GLY A 104 17.550 -11.148 1.060 1.00 10.00 H new TER 1199 GLY A 104 HETATM 1200 N1 8TL A 201 0.904 -3.102 2.885 1.00 10.00 N HETATM 1201 N3 8TL A 201 2.185 -6.010 2.430 1.00 10.00 N HETATM 1202 C4 8TL A 201 2.790 -0.569 4.742 1.00 10.00 C HETATM 1203 C5 8TL A 201 3.973 -0.642 3.773 1.00 10.00 C HETATM 1204 C6 8TL A 201 0.368 -3.193 1.670 1.00 10.00 C HETATM 1205 C7 8TL A 201 -0.275 -2.409 -0.388 1.00 10.00 C HETATM 1206 C8 8TL A 201 -0.238 -1.173 -1.289 1.00 10.00 C HETATM 1207 C10 8TL A 201 2.913 -5.542 4.755 1.00 10.00 C HETATM 1208 C13 8TL A 201 2.384 -6.420 1.024 1.00 10.00 C HETATM 1209 C15 8TL A 201 3.045 -8.333 -0.474 1.00 10.00 C HETATM 1210 C17 8TL A 201 3.432 -9.811 -0.528 1.00 10.00 C HETATM 1211 C20 8TL A 201 3.323 -7.167 8.245 1.00 10.00 C HETATM 1212 C9 8TL A 201 -1.734 -2.803 -0.144 1.00 10.00 C HETATM 1213 O4 8TL A 201 0.348 -2.092 0.869 1.00 10.00 O HETATM 1214 O3 8TL A 201 -0.106 -4.252 1.267 1.00 10.00 O HETATM 1215 O1 8TL A 201 1.382 -1.870 3.271 1.00 10.00 O HETATM 1216 C1 8TL A 201 1.898 -1.808 4.607 1.00 10.00 C HETATM 1217 C2 8TL A 201 2.724 -3.061 4.897 1.00 10.00 C HETATM 1218 O2 8TL A 201 3.820 -2.990 5.458 1.00 10.00 O HETATM 1219 N2 8TL A 201 2.180 -4.292 4.524 1.00 10.00 N HETATM 1220 C3 8TL A 201 0.925 -4.287 3.758 1.00 10.00 C HETATM 1221 C11 8TL A 201 0.858 -5.563 2.915 1.00 10.00 C HETATM 1222 C14 8TL A 201 2.845 -7.879 0.974 1.00 10.00 C HETATM 1223 C16 8TL A 201 4.109 -7.474 -1.159 1.00 10.00 C HETATM 1224 C12 8TL A 201 3.244 -6.020 3.345 1.00 10.00 C HETATM 1225 O5 8TL A 201 4.375 -6.404 3.032 1.00 10.00 O HETATM 1226 C18 8TL A 201 1.984 -6.566 5.405 1.00 10.00 C HETATM 1227 C19 8TL A 201 2.710 -7.890 5.649 1.00 10.00 C HETATM 1228 S1 8TL A 201 4.148 -7.722 6.768 1.00 10.00 S