USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 633 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 59 ASN : amide:sc= -0.572 K(o=-1.1,f=-3.3) USER MOD Set 1.2: A 62 MET CE :methyl -131:sc= -0.553 (180deg=-1.59!) USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 52 GLN :FLIP amide:sc= -2.25 F(o=-2.9!,f=-2.2) USER MOD Single : A 1 ALA N :NH3+ -118:sc= 0.102 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 8 SER OG : rot 180:sc= -0.244 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= -0.0497 (180deg=-0.25) USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= -0.0268 (180deg=-0.243) USER MOD Single : A 14 CYS SG : rot -2:sc= -0.608 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0368 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -2.49 K(o=-2.5,f=-10!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -112:sc= -0.993 (180deg=-1.68) USER MOD Single : A 31 ASN :FLIP amide:sc= -1.31 F(o=-3.9!,f=-1.3) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN :FLIP amide:sc= -0.342 F(o=-1.7!,f=-0.34) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -164:sc= -0.148 (180deg=-0.571) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc=-0.00957 (180deg=-0.0907) USER MOD Single : A 66 LYS NZ :NH3+ -169:sc= -0.0209 (180deg=-0.185) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 21.724 21.181 -1.897 1.00 0.00 N ATOM 2 CA ALA A 1 20.415 21.624 -2.442 1.00 0.00 C ATOM 3 C ALA A 1 20.602 22.400 -3.741 1.00 0.00 C ATOM 4 O ALA A 1 21.728 22.662 -4.163 1.00 0.00 O ATOM 5 CB ALA A 1 19.677 22.474 -1.419 1.00 0.00 C ATOM 0 H1 ALA A 1 21.752 20.142 -1.864 1.00 0.00 H new ATOM 0 H2 ALA A 1 22.490 21.529 -2.508 1.00 0.00 H new ATOM 0 H3 ALA A 1 21.847 21.562 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 1 19.818 20.738 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 1 18.720 22.791 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 1 19.506 21.889 -0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 1 20.276 23.352 -1.175 1.00 0.00 H new ATOM 13 N ASN A 2 19.490 22.766 -4.372 1.00 0.00 N ATOM 14 CA ASN A 2 19.533 23.511 -5.626 1.00 0.00 C ATOM 15 C ASN A 2 19.079 24.953 -5.423 1.00 0.00 C ATOM 16 O ASN A 2 19.757 25.892 -5.841 1.00 0.00 O ATOM 17 CB ASN A 2 18.656 22.829 -6.678 1.00 0.00 C ATOM 18 CG ASN A 2 19.055 21.384 -6.913 1.00 0.00 C ATOM 19 OD1 ASN A 2 18.470 20.474 -6.142 1.00 0.00 O flip ATOM 20 ND2 ASN A 2 19.880 21.089 -7.778 1.00 0.00 N flip ATOM 0 H ASN A 2 18.549 22.559 -4.036 1.00 0.00 H new ATOM 0 HA ASN A 2 20.565 23.524 -5.976 1.00 0.00 H new ATOM 0 HB2 ASN A 2 17.614 22.869 -6.360 1.00 0.00 H new ATOM 0 HB3 ASN A 2 18.724 23.379 -7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 2 20.305 21.820 -8.348 1.00 0.00 H new ATOM 0 HD22 ASN A 2 20.138 20.113 -7.925 1.00 0.00 H new ATOM 27 N TRP A 3 17.928 25.125 -4.778 1.00 0.00 N ATOM 28 CA TRP A 3 17.386 26.455 -4.522 1.00 0.00 C ATOM 29 C TRP A 3 17.539 26.841 -3.055 1.00 0.00 C ATOM 30 O TRP A 3 18.514 27.489 -2.672 1.00 0.00 O ATOM 31 CB TRP A 3 15.911 26.517 -4.926 1.00 0.00 C ATOM 32 CG TRP A 3 15.689 26.366 -6.399 1.00 0.00 C ATOM 33 CD1 TRP A 3 15.412 25.211 -7.073 1.00 0.00 C ATOM 34 CD2 TRP A 3 15.725 27.407 -7.383 1.00 0.00 C ATOM 35 NE1 TRP A 3 15.272 25.470 -8.415 1.00 0.00 N ATOM 36 CE2 TRP A 3 15.460 26.811 -8.630 1.00 0.00 C ATOM 37 CE3 TRP A 3 15.954 28.785 -7.330 1.00 0.00 C ATOM 38 CZ2 TRP A 3 15.419 27.545 -9.813 1.00 0.00 C ATOM 39 CZ3 TRP A 3 15.913 29.512 -8.504 1.00 0.00 C ATOM 40 CH2 TRP A 3 15.647 28.891 -9.731 1.00 0.00 C ATOM 0 H TRP A 3 17.354 24.360 -4.424 1.00 0.00 H new ATOM 0 HA TRP A 3 17.952 27.166 -5.124 1.00 0.00 H new ATOM 0 HB2 TRP A 3 15.366 25.732 -4.402 1.00 0.00 H new ATOM 0 HB3 TRP A 3 15.493 27.469 -4.599 1.00 0.00 H new ATOM 0 HD1 TRP A 3 15.317 24.236 -6.618 1.00 0.00 H new ATOM 0 HE1 TRP A 3 15.062 24.778 -9.134 1.00 0.00 H new ATOM 0 HE3 TRP A 3 16.159 29.272 -6.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 15.215 27.069 -10.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 16.089 30.577 -8.475 1.00 0.00 H new ATOM 0 HH2 TRP A 3 15.621 29.487 -10.631 1.00 0.00 H new ATOM 51 N ILE A 4 16.571 26.438 -2.241 1.00 0.00 N ATOM 52 CA ILE A 4 16.588 26.741 -0.817 1.00 0.00 C ATOM 53 C ILE A 4 16.598 25.455 0.002 1.00 0.00 C ATOM 54 O ILE A 4 16.943 25.458 1.185 1.00 0.00 O ATOM 55 CB ILE A 4 15.368 27.597 -0.418 1.00 0.00 C ATOM 56 CG1 ILE A 4 15.270 28.838 -1.314 1.00 0.00 C ATOM 57 CG2 ILE A 4 15.449 28.001 1.048 1.00 0.00 C ATOM 58 CD1 ILE A 4 16.434 29.796 -1.168 1.00 0.00 C ATOM 0 H ILE A 4 15.761 25.898 -2.546 1.00 0.00 H new ATOM 0 HA ILE A 4 17.496 27.308 -0.609 1.00 0.00 H new ATOM 0 HB ILE A 4 14.468 26.998 -0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 4 15.204 28.518 -2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 4 14.346 29.368 -1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 4 14.579 28.604 1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 4 15.470 27.107 1.671 1.00 0.00 H new ATOM 0 HG23 ILE A 4 16.356 28.582 1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 4 16.291 30.647 -1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 4 16.489 30.147 -0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 4 17.361 29.285 -1.427 1.00 0.00 H new ATOM 70 N HIS A 5 16.226 24.355 -0.647 1.00 0.00 N ATOM 71 CA HIS A 5 16.184 23.049 0.006 1.00 0.00 C ATOM 72 C HIS A 5 15.806 21.957 -0.989 1.00 0.00 C ATOM 73 O HIS A 5 15.476 20.836 -0.598 1.00 0.00 O ATOM 74 CB HIS A 5 15.188 23.061 1.170 1.00 0.00 C ATOM 75 CG HIS A 5 13.791 23.411 0.762 1.00 0.00 C ATOM 76 ND1 HIS A 5 12.861 22.470 0.376 1.00 0.00 N ATOM 77 CD2 HIS A 5 13.163 24.609 0.688 1.00 0.00 C ATOM 78 CE1 HIS A 5 11.723 23.073 0.080 1.00 0.00 C ATOM 79 NE2 HIS A 5 11.880 24.371 0.262 1.00 0.00 N ATOM 0 H HIS A 5 15.948 24.342 -1.628 1.00 0.00 H new ATOM 0 HA HIS A 5 17.180 22.836 0.395 1.00 0.00 H new ATOM 0 HB2 HIS A 5 15.184 22.079 1.643 1.00 0.00 H new ATOM 0 HB3 HIS A 5 15.528 23.775 1.920 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.592 25.572 0.921 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.818 22.587 -0.254 1.00 0.00 H new ATOM 0 HE2 HIS A 5 11.164 25.082 0.111 1.00 0.00 H new ATOM 88 N ALA A 6 15.860 22.290 -2.276 1.00 0.00 N ATOM 89 CA ALA A 6 15.522 21.339 -3.330 1.00 0.00 C ATOM 90 C ALA A 6 16.347 20.064 -3.206 1.00 0.00 C ATOM 91 O ALA A 6 17.577 20.108 -3.162 1.00 0.00 O ATOM 92 CB ALA A 6 15.728 21.971 -4.697 1.00 0.00 C ATOM 0 H ALA A 6 16.135 23.212 -2.614 1.00 0.00 H new ATOM 0 HA ALA A 6 14.471 21.072 -3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.472 21.250 -5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 6 15.089 22.849 -4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 6 16.771 22.268 -4.807 1.00 0.00 H new ATOM 98 N ARG A 7 15.661 18.927 -3.155 1.00 0.00 N ATOM 99 CA ARG A 7 16.325 17.635 -3.030 1.00 0.00 C ATOM 100 C ARG A 7 15.987 16.731 -4.213 1.00 0.00 C ATOM 101 O ARG A 7 16.842 16.446 -5.052 1.00 0.00 O ATOM 102 CB ARG A 7 15.914 16.959 -1.721 1.00 0.00 C ATOM 103 CG ARG A 7 16.657 15.664 -1.442 1.00 0.00 C ATOM 104 CD ARG A 7 16.217 15.044 -0.126 1.00 0.00 C ATOM 105 NE ARG A 7 16.937 13.806 0.160 1.00 0.00 N ATOM 106 CZ ARG A 7 16.489 12.866 0.987 1.00 0.00 C ATOM 107 NH1 ARG A 7 15.328 13.021 1.611 1.00 0.00 N ATOM 108 NH2 ARG A 7 17.205 11.768 1.191 1.00 0.00 N ATOM 0 H ARG A 7 14.643 18.874 -3.198 1.00 0.00 H new ATOM 0 HA ARG A 7 17.402 17.803 -3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 7 16.085 17.651 -0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.844 16.755 -1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 7 16.481 14.959 -2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 7 17.729 15.857 -1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 7 16.382 15.755 0.683 1.00 0.00 H new ATOM 0 HD3 ARG A 7 15.146 14.842 -0.160 1.00 0.00 H new ATOM 0 HE ARG A 7 17.834 13.654 -0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.775 13.864 1.457 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.989 12.297 2.244 1.00 0.00 H new ATOM 0 HH21 ARG A 7 18.098 11.646 0.714 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.862 11.046 1.825 1.00 0.00 H new ATOM 122 N SER A 8 14.735 16.285 -4.275 1.00 0.00 N ATOM 123 CA SER A 8 14.287 15.413 -5.357 1.00 0.00 C ATOM 124 C SER A 8 13.188 16.080 -6.179 1.00 0.00 C ATOM 125 O SER A 8 12.700 17.154 -5.825 1.00 0.00 O ATOM 126 CB SER A 8 13.782 14.085 -4.789 1.00 0.00 C ATOM 127 OG SER A 8 13.385 13.204 -5.826 1.00 0.00 O ATOM 0 H SER A 8 14.014 16.512 -3.590 1.00 0.00 H new ATOM 0 HA SER A 8 15.137 15.223 -6.013 1.00 0.00 H new ATOM 0 HB2 SER A 8 14.567 13.619 -4.193 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.940 14.268 -4.121 1.00 0.00 H new ATOM 0 HG SER A 8 13.068 12.362 -5.437 1.00 0.00 H new ATOM 133 N THR A 9 12.803 15.435 -7.276 1.00 0.00 N ATOM 134 CA THR A 9 11.762 15.964 -8.150 1.00 0.00 C ATOM 135 C THR A 9 10.373 15.627 -7.617 1.00 0.00 C ATOM 136 O THR A 9 9.363 15.933 -8.252 1.00 0.00 O ATOM 137 CB THR A 9 11.897 15.414 -9.583 1.00 0.00 C ATOM 138 OG1 THR A 9 11.709 13.994 -9.583 1.00 0.00 O ATOM 139 CG2 THR A 9 13.263 15.748 -10.164 1.00 0.00 C ATOM 0 H THR A 9 13.197 14.545 -7.581 1.00 0.00 H new ATOM 0 HA THR A 9 11.888 17.047 -8.171 1.00 0.00 H new ATOM 0 HB THR A 9 11.131 15.882 -10.201 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.795 13.653 -10.498 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.335 15.350 -11.176 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.393 16.830 -10.190 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.041 15.304 -9.543 1.00 0.00 H new ATOM 147 N ARG A 10 10.331 14.997 -6.447 1.00 0.00 N ATOM 148 CA ARG A 10 9.065 14.619 -5.828 1.00 0.00 C ATOM 149 C ARG A 10 9.246 14.355 -4.335 1.00 0.00 C ATOM 150 O ARG A 10 9.982 13.451 -3.939 1.00 0.00 O ATOM 151 CB ARG A 10 8.491 13.377 -6.512 1.00 0.00 C ATOM 152 CG ARG A 10 7.150 12.935 -5.948 1.00 0.00 C ATOM 153 CD ARG A 10 6.630 11.698 -6.660 1.00 0.00 C ATOM 154 NE ARG A 10 7.531 10.558 -6.505 1.00 0.00 N ATOM 155 CZ ARG A 10 7.154 9.292 -6.661 1.00 0.00 C ATOM 156 NH1 ARG A 10 5.898 9.004 -6.974 1.00 0.00 N ATOM 157 NH2 ARG A 10 8.033 8.313 -6.506 1.00 0.00 N ATOM 0 H ARG A 10 11.158 14.738 -5.909 1.00 0.00 H new ATOM 0 HA ARG A 10 8.367 15.448 -5.949 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.379 13.579 -7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.204 12.558 -6.416 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.252 12.728 -4.883 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.427 13.745 -6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.647 11.439 -6.266 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.501 11.917 -7.720 1.00 0.00 H new ATOM 0 HE ARG A 10 8.504 10.744 -6.263 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.218 9.754 -7.096 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.612 8.032 -7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.001 8.530 -6.267 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.742 7.343 -6.626 1.00 0.00 H new ATOM 171 N LYS A 11 8.567 15.151 -3.513 1.00 0.00 N ATOM 172 CA LYS A 11 8.648 15.004 -2.063 1.00 0.00 C ATOM 173 C LYS A 11 7.508 14.137 -1.539 1.00 0.00 C ATOM 174 O LYS A 11 6.524 13.902 -2.240 1.00 0.00 O ATOM 175 CB LYS A 11 8.628 16.381 -1.387 1.00 0.00 C ATOM 176 CG LYS A 11 7.563 17.324 -1.931 1.00 0.00 C ATOM 177 CD LYS A 11 6.188 17.018 -1.359 1.00 0.00 C ATOM 178 CE LYS A 11 5.138 17.979 -1.894 1.00 0.00 C ATOM 179 NZ LYS A 11 5.019 17.900 -3.375 1.00 0.00 N ATOM 0 H LYS A 11 7.955 15.904 -3.827 1.00 0.00 H new ATOM 0 HA LYS A 11 9.589 14.509 -1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.467 16.247 -0.317 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.606 16.847 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.834 18.353 -1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.530 17.246 -3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.908 15.995 -1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.222 17.083 -0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.173 17.753 -1.439 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.396 18.997 -1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.157 18.396 -3.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.849 18.346 -3.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.967 16.903 -3.666 1.00 0.00 H new ATOM 193 N LYS A 12 7.648 13.664 -0.304 1.00 0.00 N ATOM 194 CA LYS A 12 6.627 12.823 0.311 1.00 0.00 C ATOM 195 C LYS A 12 5.937 13.548 1.461 1.00 0.00 C ATOM 196 O LYS A 12 6.536 14.391 2.129 1.00 0.00 O ATOM 197 CB LYS A 12 7.243 11.516 0.816 1.00 0.00 C ATOM 198 CG LYS A 12 8.367 11.717 1.821 1.00 0.00 C ATOM 199 CD LYS A 12 8.839 10.391 2.396 1.00 0.00 C ATOM 200 CE LYS A 12 10.005 10.579 3.355 1.00 0.00 C ATOM 201 NZ LYS A 12 11.205 11.135 2.669 1.00 0.00 N ATOM 0 H LYS A 12 8.457 13.848 0.289 1.00 0.00 H new ATOM 0 HA LYS A 12 5.881 12.595 -0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.462 10.910 1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.625 10.952 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.202 12.224 1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.024 12.364 2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.014 9.905 2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.138 9.728 1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.706 11.247 4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.258 9.622 3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.037 11.028 3.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.365 10.622 1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.052 12.143 2.465 1.00 0.00 H new ATOM 215 N ARG A 13 4.669 13.212 1.683 1.00 0.00 N ATOM 216 CA ARG A 13 3.885 13.821 2.751 1.00 0.00 C ATOM 217 C ARG A 13 2.709 12.926 3.127 1.00 0.00 C ATOM 218 O ARG A 13 2.633 12.417 4.246 1.00 0.00 O ATOM 219 CB ARG A 13 3.379 15.199 2.318 1.00 0.00 C ATOM 220 CG ARG A 13 2.549 15.908 3.376 1.00 0.00 C ATOM 221 CD ARG A 13 2.129 17.293 2.912 1.00 0.00 C ATOM 222 NE ARG A 13 1.279 17.969 3.889 1.00 0.00 N ATOM 223 CZ ARG A 13 0.541 19.038 3.608 1.00 0.00 C ATOM 224 NH1 ARG A 13 0.545 19.547 2.382 1.00 0.00 N ATOM 225 NH2 ARG A 13 -0.202 19.601 4.550 1.00 0.00 N ATOM 0 H ARG A 13 4.162 12.518 1.134 1.00 0.00 H new ATOM 0 HA ARG A 13 4.526 13.939 3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.233 15.825 2.060 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.780 15.088 1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.664 15.315 3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.124 15.990 4.298 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.017 17.897 2.727 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.596 17.211 1.965 1.00 0.00 H new ATOM 0 HE ARG A 13 1.250 17.600 4.840 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.115 19.118 1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.022 20.367 2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.208 19.214 5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.767 20.421 4.331 1.00 0.00 H new ATOM 239 N CYS A 14 1.795 12.736 2.181 1.00 0.00 N ATOM 240 CA CYS A 14 0.623 11.897 2.404 1.00 0.00 C ATOM 241 C CYS A 14 0.248 11.142 1.127 1.00 0.00 C ATOM 242 O CYS A 14 -0.876 11.261 0.635 1.00 0.00 O ATOM 243 CB CYS A 14 -0.554 12.754 2.875 1.00 0.00 C ATOM 244 SG CYS A 14 -0.262 13.610 4.441 1.00 0.00 S ATOM 0 H CYS A 14 1.844 13.152 1.251 1.00 0.00 H new ATOM 0 HA CYS A 14 0.863 11.167 3.177 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.783 13.492 2.107 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.434 12.119 2.979 1.00 0.00 H new ATOM 0 HG CYS A 14 0.914 13.294 4.896 1.00 0.00 H new ATOM 250 N PRO A 15 1.186 10.349 0.569 1.00 0.00 N ATOM 251 CA PRO A 15 0.956 9.585 -0.649 1.00 0.00 C ATOM 252 C PRO A 15 0.469 8.171 -0.380 1.00 0.00 C ATOM 253 O PRO A 15 0.740 7.249 -1.150 1.00 0.00 O ATOM 254 CB PRO A 15 2.341 9.553 -1.271 1.00 0.00 C ATOM 255 CG PRO A 15 3.296 9.572 -0.119 1.00 0.00 C ATOM 256 CD PRO A 15 2.555 10.137 1.073 1.00 0.00 C ATOM 0 HA PRO A 15 0.180 10.027 -1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.478 8.659 -1.880 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.498 10.411 -1.925 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.659 8.567 0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.168 10.182 -0.353 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.568 9.446 1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.003 11.069 1.417 1.00 0.00 H new ATOM 264 N TYR A 16 -0.253 8.010 0.712 1.00 0.00 N ATOM 265 CA TYR A 16 -0.782 6.712 1.089 1.00 0.00 C ATOM 266 C TYR A 16 -1.965 6.334 0.212 1.00 0.00 C ATOM 267 O TYR A 16 -2.733 7.195 -0.221 1.00 0.00 O ATOM 268 CB TYR A 16 -1.194 6.700 2.561 1.00 0.00 C ATOM 269 CG TYR A 16 -1.925 7.944 3.019 1.00 0.00 C ATOM 270 CD1 TYR A 16 -3.229 8.200 2.614 1.00 0.00 C ATOM 271 CD2 TYR A 16 -1.312 8.856 3.869 1.00 0.00 C ATOM 272 CE1 TYR A 16 -3.900 9.331 3.041 1.00 0.00 C ATOM 273 CE2 TYR A 16 -1.976 9.989 4.299 1.00 0.00 C ATOM 274 CZ TYR A 16 -3.270 10.221 3.882 1.00 0.00 C ATOM 275 OH TYR A 16 -3.934 11.348 4.309 1.00 0.00 O ATOM 0 H TYR A 16 -0.488 8.765 1.357 1.00 0.00 H new ATOM 0 HA TYR A 16 0.008 5.975 0.943 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.831 5.833 2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.302 6.572 3.174 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.727 7.504 1.955 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.300 8.676 4.199 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.913 9.516 2.716 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.484 10.689 4.958 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.349 11.869 4.897 1.00 0.00 H new ATOM 285 N THR A 17 -2.101 5.043 -0.048 1.00 0.00 N ATOM 286 CA THR A 17 -3.190 4.541 -0.878 1.00 0.00 C ATOM 287 C THR A 17 -4.316 3.975 -0.018 1.00 0.00 C ATOM 288 O THR A 17 -4.229 3.968 1.209 1.00 0.00 O ATOM 289 CB THR A 17 -2.700 3.460 -1.864 1.00 0.00 C ATOM 290 OG1 THR A 17 -3.748 3.112 -2.775 1.00 0.00 O ATOM 291 CG2 THR A 17 -2.236 2.214 -1.124 1.00 0.00 C ATOM 0 H THR A 17 -1.471 4.322 0.303 1.00 0.00 H new ATOM 0 HA THR A 17 -3.569 5.386 -1.452 1.00 0.00 H new ATOM 0 HB THR A 17 -1.856 3.870 -2.418 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.426 2.427 -3.397 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.896 1.469 -1.843 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.416 2.473 -0.455 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.063 1.807 -0.543 1.00 0.00 H new ATOM 299 N LYS A 18 -5.372 3.504 -0.671 1.00 0.00 N ATOM 300 CA LYS A 18 -6.516 2.934 0.030 1.00 0.00 C ATOM 301 C LYS A 18 -6.184 1.552 0.582 1.00 0.00 C ATOM 302 O LYS A 18 -6.771 1.109 1.569 1.00 0.00 O ATOM 303 CB LYS A 18 -7.712 2.840 -0.918 1.00 0.00 C ATOM 304 CG LYS A 18 -7.436 2.000 -2.156 1.00 0.00 C ATOM 305 CD LYS A 18 -8.607 2.027 -3.124 1.00 0.00 C ATOM 306 CE LYS A 18 -8.345 1.151 -4.338 1.00 0.00 C ATOM 307 NZ LYS A 18 -9.470 1.198 -5.311 1.00 0.00 N ATOM 0 H LYS A 18 -5.460 3.506 -1.687 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.765 3.587 0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.560 2.415 -0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.002 3.844 -1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.541 2.371 -2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.232 0.971 -1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.509 1.686 -2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.791 3.052 -3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.427 1.476 -4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.187 0.122 -4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.252 0.587 -6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.341 0.864 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.605 2.176 -5.639 1.00 0.00 H new ATOM 321 N TYR A 19 -5.239 0.877 -0.062 1.00 0.00 N ATOM 322 CA TYR A 19 -4.832 -0.460 0.351 1.00 0.00 C ATOM 323 C TYR A 19 -3.923 -0.417 1.576 1.00 0.00 C ATOM 324 O TYR A 19 -4.016 -1.272 2.457 1.00 0.00 O ATOM 325 CB TYR A 19 -4.111 -1.163 -0.799 1.00 0.00 C ATOM 326 CG TYR A 19 -4.468 -2.624 -0.934 1.00 0.00 C ATOM 327 CD1 TYR A 19 -4.193 -3.522 0.089 1.00 0.00 C ATOM 328 CD2 TYR A 19 -5.081 -3.104 -2.083 1.00 0.00 C ATOM 329 CE1 TYR A 19 -4.517 -4.860 -0.031 1.00 0.00 C ATOM 330 CE2 TYR A 19 -5.410 -4.440 -2.210 1.00 0.00 C ATOM 331 CZ TYR A 19 -5.126 -5.314 -1.182 1.00 0.00 C ATOM 332 OH TYR A 19 -5.452 -6.643 -1.304 1.00 0.00 O ATOM 0 H TYR A 19 -4.739 1.236 -0.875 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.732 -1.015 0.617 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.349 -0.652 -1.732 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.035 -1.073 -0.651 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.718 -3.169 0.993 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.304 -2.423 -2.891 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.294 -5.547 0.772 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.887 -4.798 -3.110 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.875 -6.797 -2.174 1.00 0.00 H new ATOM 342 N GLN A 20 -3.042 0.578 1.627 1.00 0.00 N ATOM 343 CA GLN A 20 -2.111 0.714 2.743 1.00 0.00 C ATOM 344 C GLN A 20 -2.857 0.989 4.048 1.00 0.00 C ATOM 345 O GLN A 20 -2.493 0.469 5.102 1.00 0.00 O ATOM 346 CB GLN A 20 -1.092 1.826 2.455 1.00 0.00 C ATOM 347 CG GLN A 20 -1.593 3.233 2.737 1.00 0.00 C ATOM 348 CD GLN A 20 -1.251 3.703 4.138 1.00 0.00 C ATOM 349 OE1 GLN A 20 -2.037 3.542 5.071 1.00 0.00 O ATOM 350 NE2 GLN A 20 -0.066 4.284 4.294 1.00 0.00 N ATOM 0 H GLN A 20 -2.953 1.299 0.911 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.574 -0.228 2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.199 1.646 3.053 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.793 1.764 1.409 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.160 3.921 2.011 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.674 3.264 2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.556 4.398 3.493 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.222 4.616 5.214 1.00 0.00 H new ATOM 359 N THR A 21 -3.908 1.799 3.967 1.00 0.00 N ATOM 360 CA THR A 21 -4.703 2.139 5.141 1.00 0.00 C ATOM 361 C THR A 21 -5.720 1.048 5.449 1.00 0.00 C ATOM 362 O THR A 21 -6.176 0.916 6.582 1.00 0.00 O ATOM 363 CB THR A 21 -5.442 3.477 4.951 1.00 0.00 C ATOM 364 OG1 THR A 21 -6.268 3.748 6.091 1.00 0.00 O ATOM 365 CG2 THR A 21 -6.296 3.446 3.693 1.00 0.00 C ATOM 0 H THR A 21 -4.229 2.232 3.101 1.00 0.00 H new ATOM 0 HA THR A 21 -4.010 2.232 5.977 1.00 0.00 H new ATOM 0 HB THR A 21 -4.699 4.268 4.848 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.733 4.601 5.963 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.809 4.401 3.578 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.660 3.269 2.826 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.032 2.646 3.772 1.00 0.00 H new ATOM 373 N LEU A 22 -6.067 0.267 4.431 1.00 0.00 N ATOM 374 CA LEU A 22 -7.029 -0.816 4.586 1.00 0.00 C ATOM 375 C LEU A 22 -6.498 -1.882 5.542 1.00 0.00 C ATOM 376 O LEU A 22 -7.210 -2.337 6.434 1.00 0.00 O ATOM 377 CB LEU A 22 -7.353 -1.424 3.212 1.00 0.00 C ATOM 378 CG LEU A 22 -7.454 -2.952 3.161 1.00 0.00 C ATOM 379 CD1 LEU A 22 -8.703 -3.439 3.880 1.00 0.00 C ATOM 380 CD2 LEU A 22 -7.448 -3.436 1.718 1.00 0.00 C ATOM 0 H LEU A 22 -5.694 0.365 3.487 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.946 -0.413 5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.298 -1.005 2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.585 -1.107 2.506 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.585 -3.367 3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.751 -4.527 3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.668 -3.126 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.586 -3.014 3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.520 -4.523 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.297 -3.006 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.522 -3.125 1.234 1.00 0.00 H new ATOM 392 N GLU A 23 -5.244 -2.273 5.351 1.00 0.00 N ATOM 393 CA GLU A 23 -4.625 -3.291 6.194 1.00 0.00 C ATOM 394 C GLU A 23 -4.300 -2.742 7.580 1.00 0.00 C ATOM 395 O GLU A 23 -4.503 -3.420 8.588 1.00 0.00 O ATOM 396 CB GLU A 23 -3.353 -3.817 5.530 1.00 0.00 C ATOM 397 CG GLU A 23 -3.619 -4.745 4.357 1.00 0.00 C ATOM 398 CD GLU A 23 -4.343 -6.012 4.769 1.00 0.00 C ATOM 399 OE1 GLU A 23 -3.665 -6.977 5.179 1.00 0.00 O ATOM 400 OE2 GLU A 23 -5.589 -6.038 4.683 1.00 0.00 O ATOM 0 H GLU A 23 -4.636 -1.902 4.621 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.337 -4.108 6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.756 -2.972 5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.757 -4.346 6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.212 -4.219 3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.673 -5.009 3.885 1.00 0.00 H new ATOM 407 N LEU A 24 -3.799 -1.513 7.623 1.00 0.00 N ATOM 408 CA LEU A 24 -3.437 -0.882 8.887 1.00 0.00 C ATOM 409 C LEU A 24 -4.656 -0.662 9.779 1.00 0.00 C ATOM 410 O LEU A 24 -4.552 -0.720 11.004 1.00 0.00 O ATOM 411 CB LEU A 24 -2.729 0.449 8.626 1.00 0.00 C ATOM 412 CG LEU A 24 -1.368 0.333 7.934 1.00 0.00 C ATOM 413 CD1 LEU A 24 -0.818 1.710 7.596 1.00 0.00 C ATOM 414 CD2 LEU A 24 -0.386 -0.434 8.810 1.00 0.00 C ATOM 0 H LEU A 24 -3.634 -0.934 6.799 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.760 -1.556 9.412 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.379 1.075 8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.593 0.964 9.577 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.504 -0.219 7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.149 1.605 7.105 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.510 2.224 6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.699 2.289 8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.575 -0.506 8.302 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.257 0.090 9.757 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.773 -1.435 8.999 1.00 0.00 H new ATOM 426 N GLU A 25 -5.811 -0.411 9.166 1.00 0.00 N ATOM 427 CA GLU A 25 -7.037 -0.179 9.926 1.00 0.00 C ATOM 428 C GLU A 25 -7.672 -1.494 10.373 1.00 0.00 C ATOM 429 O GLU A 25 -8.270 -1.565 11.444 1.00 0.00 O ATOM 430 CB GLU A 25 -8.040 0.635 9.101 1.00 0.00 C ATOM 431 CG GLU A 25 -8.646 -0.133 7.938 1.00 0.00 C ATOM 432 CD GLU A 25 -9.603 0.711 7.118 1.00 0.00 C ATOM 433 OE1 GLU A 25 -10.806 0.741 7.454 1.00 0.00 O ATOM 434 OE2 GLU A 25 -9.149 1.341 6.140 1.00 0.00 O ATOM 0 H GLU A 25 -5.924 -0.363 8.153 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.768 0.389 10.816 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.842 0.977 9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.542 1.525 8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.847 -0.500 7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.174 -1.007 8.320 1.00 0.00 H new ATOM 441 N LYS A 26 -7.535 -2.532 9.551 1.00 0.00 N ATOM 442 CA LYS A 26 -8.104 -3.839 9.872 1.00 0.00 C ATOM 443 C LYS A 26 -7.583 -4.357 11.210 1.00 0.00 C ATOM 444 O LYS A 26 -8.341 -4.905 12.008 1.00 0.00 O ATOM 445 CB LYS A 26 -7.798 -4.849 8.762 1.00 0.00 C ATOM 446 CG LYS A 26 -8.684 -4.695 7.536 1.00 0.00 C ATOM 447 CD LYS A 26 -10.116 -5.118 7.821 1.00 0.00 C ATOM 448 CE LYS A 26 -11.017 -4.876 6.621 1.00 0.00 C ATOM 449 NZ LYS A 26 -11.040 -3.441 6.221 1.00 0.00 N ATOM 0 H LYS A 26 -7.037 -2.494 8.662 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.184 -3.718 9.951 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.756 -4.742 8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.913 -5.858 9.159 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.670 -3.657 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.283 -5.295 6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.138 -6.175 8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.496 -4.565 8.680 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.673 -5.481 5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.030 -5.203 6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.981 -3.042 6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.325 -2.917 6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.830 -3.360 5.206 1.00 0.00 H new ATOM 463 N GLU A 27 -6.286 -4.184 11.451 1.00 0.00 N ATOM 464 CA GLU A 27 -5.678 -4.639 12.697 1.00 0.00 C ATOM 465 C GLU A 27 -5.848 -3.600 13.799 1.00 0.00 C ATOM 466 O GLU A 27 -5.994 -3.943 14.971 1.00 0.00 O ATOM 467 CB GLU A 27 -4.195 -4.938 12.487 1.00 0.00 C ATOM 468 CG GLU A 27 -3.925 -5.876 11.321 1.00 0.00 C ATOM 469 CD GLU A 27 -2.447 -6.132 11.105 1.00 0.00 C ATOM 470 OE1 GLU A 27 -1.795 -5.312 10.425 1.00 0.00 O ATOM 471 OE2 GLU A 27 -1.942 -7.154 11.615 1.00 0.00 O ATOM 0 H GLU A 27 -5.639 -3.734 10.803 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.185 -5.553 13.005 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.664 -4.001 12.320 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.788 -5.377 13.398 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.431 -6.825 11.499 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.352 -5.452 10.412 1.00 0.00 H new ATOM 478 N PHE A 28 -5.831 -2.330 13.410 1.00 0.00 N ATOM 479 CA PHE A 28 -5.987 -1.227 14.353 1.00 0.00 C ATOM 480 C PHE A 28 -7.228 -1.418 15.221 1.00 0.00 C ATOM 481 O PHE A 28 -7.329 -0.855 16.312 1.00 0.00 O ATOM 482 CB PHE A 28 -6.074 0.102 13.600 1.00 0.00 C ATOM 483 CG PHE A 28 -6.048 1.309 14.493 1.00 0.00 C ATOM 484 CD1 PHE A 28 -4.844 1.873 14.881 1.00 0.00 C ATOM 485 CD2 PHE A 28 -7.228 1.882 14.943 1.00 0.00 C ATOM 486 CE1 PHE A 28 -4.816 2.986 15.700 1.00 0.00 C ATOM 487 CE2 PHE A 28 -7.206 2.994 15.763 1.00 0.00 C ATOM 488 CZ PHE A 28 -5.999 3.547 16.141 1.00 0.00 C ATOM 0 H PHE A 28 -5.710 -2.037 12.441 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.114 -1.213 15.005 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.244 0.165 12.896 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.992 0.116 13.013 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.916 1.438 14.540 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.175 1.454 14.649 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.870 3.417 15.995 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.132 3.430 16.108 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.979 4.417 16.781 1.00 0.00 H new ATOM 498 N LEU A 29 -8.175 -2.210 14.727 1.00 0.00 N ATOM 499 CA LEU A 29 -9.415 -2.465 15.449 1.00 0.00 C ATOM 500 C LEU A 29 -9.154 -3.176 16.766 1.00 0.00 C ATOM 501 O LEU A 29 -9.476 -2.668 17.839 1.00 0.00 O ATOM 502 CB LEU A 29 -10.372 -3.302 14.593 1.00 0.00 C ATOM 503 CG LEU A 29 -10.500 -2.864 13.132 1.00 0.00 C ATOM 504 CD1 LEU A 29 -11.565 -3.684 12.421 1.00 0.00 C ATOM 505 CD2 LEU A 29 -10.820 -1.380 13.039 1.00 0.00 C ATOM 0 H LEU A 29 -8.106 -2.687 13.828 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.873 -1.500 15.664 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -10.039 -4.340 14.616 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.361 -3.274 15.051 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.543 -3.038 12.640 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.642 -3.359 11.384 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.292 -4.739 12.451 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.525 -3.543 12.918 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.906 -1.091 11.991 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.762 -1.178 13.550 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.022 -0.806 13.509 1.00 0.00 H new ATOM 517 N PHE A 30 -8.565 -4.353 16.667 1.00 0.00 N ATOM 518 CA PHE A 30 -8.265 -5.165 17.841 1.00 0.00 C ATOM 519 C PHE A 30 -6.778 -5.132 18.184 1.00 0.00 C ATOM 520 O PHE A 30 -6.402 -4.832 19.317 1.00 0.00 O ATOM 521 CB PHE A 30 -8.715 -6.610 17.604 1.00 0.00 C ATOM 522 CG PHE A 30 -9.226 -7.298 18.838 1.00 0.00 C ATOM 523 CD1 PHE A 30 -10.332 -6.805 19.514 1.00 0.00 C ATOM 524 CD2 PHE A 30 -8.605 -8.438 19.319 1.00 0.00 C ATOM 525 CE1 PHE A 30 -10.807 -7.437 20.648 1.00 0.00 C ATOM 526 CE2 PHE A 30 -9.076 -9.075 20.452 1.00 0.00 C ATOM 527 CZ PHE A 30 -10.179 -8.574 21.117 1.00 0.00 C ATOM 0 H PHE A 30 -8.282 -4.774 15.782 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.811 -4.745 18.686 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -9.498 -6.617 16.845 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.877 -7.180 17.203 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.828 -5.917 19.150 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.743 -8.834 18.803 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.668 -7.042 21.167 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.582 -9.963 20.817 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.549 -9.071 22.002 1.00 0.00 H new ATOM 537 N ASN A 31 -5.949 -5.430 17.188 1.00 0.00 N ATOM 538 CA ASN A 31 -4.489 -5.460 17.353 1.00 0.00 C ATOM 539 C ASN A 31 -4.085 -5.997 18.726 1.00 0.00 C ATOM 540 O ASN A 31 -3.185 -5.459 19.373 1.00 0.00 O ATOM 541 CB ASN A 31 -3.890 -4.065 17.143 1.00 0.00 C ATOM 542 CG ASN A 31 -4.535 -3.014 18.022 1.00 0.00 C ATOM 543 OD1 ASN A 31 -5.579 -2.380 17.506 1.00 0.00 O flip ATOM 544 ND2 ASN A 31 -4.101 -2.776 19.148 1.00 0.00 N flip ATOM 0 H ASN A 31 -6.263 -5.658 16.245 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.094 -6.137 16.595 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.820 -4.099 17.349 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.004 -3.779 16.098 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.295 -3.290 19.503 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.548 -2.065 19.727 1.00 0.00 H new ATOM 551 N MET A 32 -4.750 -7.062 19.160 1.00 0.00 N ATOM 552 CA MET A 32 -4.469 -7.674 20.442 1.00 0.00 C ATOM 553 C MET A 32 -3.019 -8.137 20.526 1.00 0.00 C ATOM 554 O MET A 32 -2.375 -8.013 21.568 1.00 0.00 O ATOM 555 CB MET A 32 -5.407 -8.856 20.642 1.00 0.00 C ATOM 556 CG MET A 32 -5.373 -9.863 19.503 1.00 0.00 C ATOM 557 SD MET A 32 -6.477 -11.261 19.776 1.00 0.00 S ATOM 558 CE MET A 32 -6.281 -12.150 18.233 1.00 0.00 C ATOM 0 H MET A 32 -5.494 -7.519 18.632 1.00 0.00 H new ATOM 0 HA MET A 32 -4.627 -6.935 21.227 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.146 -9.363 21.571 1.00 0.00 H new ATOM 0 HB3 MET A 32 -6.425 -8.485 20.757 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.649 -9.364 18.574 1.00 0.00 H new ATOM 0 HG3 MET A 32 -4.354 -10.229 19.378 1.00 0.00 H new ATOM 0 HE1 MET A 32 -6.903 -13.045 18.247 1.00 0.00 H new ATOM 0 HE2 MET A 32 -6.583 -11.511 17.404 1.00 0.00 H new ATOM 0 HE3 MET A 32 -5.237 -12.436 18.108 1.00 0.00 H new ATOM 568 N TYR A 33 -2.514 -8.667 19.419 1.00 0.00 N ATOM 569 CA TYR A 33 -1.142 -9.158 19.358 1.00 0.00 C ATOM 570 C TYR A 33 -0.729 -9.438 17.916 1.00 0.00 C ATOM 571 O TYR A 33 -1.524 -9.939 17.119 1.00 0.00 O ATOM 572 CB TYR A 33 -0.998 -10.426 20.205 1.00 0.00 C ATOM 573 CG TYR A 33 0.414 -10.964 20.269 1.00 0.00 C ATOM 574 CD1 TYR A 33 1.343 -10.429 21.154 1.00 0.00 C ATOM 575 CD2 TYR A 33 0.817 -12.010 19.449 1.00 0.00 C ATOM 576 CE1 TYR A 33 2.634 -10.921 21.218 1.00 0.00 C ATOM 577 CE2 TYR A 33 2.104 -12.509 19.508 1.00 0.00 C ATOM 578 CZ TYR A 33 3.009 -11.961 20.394 1.00 0.00 C ATOM 579 OH TYR A 33 4.292 -12.456 20.456 1.00 0.00 O ATOM 0 H TYR A 33 -3.036 -8.768 18.548 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.484 -8.387 19.758 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.342 -10.216 21.218 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.652 -11.198 19.800 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.052 -9.616 21.802 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.112 -12.441 18.753 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.345 -10.493 21.910 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.400 -13.324 18.864 1.00 0.00 H new ATOM 0 HH TYR A 33 4.392 -13.187 19.811 1.00 0.00 H new ATOM 589 N LEU A 34 0.517 -9.111 17.588 1.00 0.00 N ATOM 590 CA LEU A 34 1.037 -9.326 16.241 1.00 0.00 C ATOM 591 C LEU A 34 2.026 -10.484 16.212 1.00 0.00 C ATOM 592 O LEU A 34 3.073 -10.438 16.858 1.00 0.00 O ATOM 593 CB LEU A 34 1.708 -8.052 15.718 1.00 0.00 C ATOM 594 CG LEU A 34 0.806 -7.123 14.898 1.00 0.00 C ATOM 595 CD1 LEU A 34 0.498 -7.739 13.541 1.00 0.00 C ATOM 596 CD2 LEU A 34 -0.485 -6.823 15.649 1.00 0.00 C ATOM 0 H LEU A 34 1.186 -8.696 18.236 1.00 0.00 H new ATOM 0 HA LEU A 34 0.196 -9.577 15.594 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.100 -7.493 16.568 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.562 -8.337 15.103 1.00 0.00 H new ATOM 0 HG LEU A 34 1.338 -6.185 14.741 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.143 -7.065 12.973 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.428 -7.901 12.996 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.011 -8.693 13.681 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.110 -6.162 15.049 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.020 -7.754 15.840 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.250 -6.338 16.597 1.00 0.00 H new ATOM 608 N THR A 35 1.681 -11.520 15.456 1.00 0.00 N ATOM 609 CA THR A 35 2.534 -12.693 15.329 1.00 0.00 C ATOM 610 C THR A 35 3.063 -12.823 13.905 1.00 0.00 C ATOM 611 O THR A 35 2.645 -12.089 13.010 1.00 0.00 O ATOM 612 CB THR A 35 1.777 -13.982 15.713 1.00 0.00 C ATOM 613 OG1 THR A 35 2.647 -15.116 15.606 1.00 0.00 O ATOM 614 CG2 THR A 35 0.560 -14.182 14.823 1.00 0.00 C ATOM 0 H THR A 35 0.814 -11.570 14.921 1.00 0.00 H new ATOM 0 HA THR A 35 3.371 -12.561 16.015 1.00 0.00 H new ATOM 0 HB THR A 35 1.439 -13.883 16.745 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.158 -15.928 15.853 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.043 -15.097 15.113 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.115 -13.333 14.934 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.878 -14.259 13.783 1.00 0.00 H new ATOM 622 N ARG A 36 3.986 -13.758 13.700 1.00 0.00 N ATOM 623 CA ARG A 36 4.572 -13.978 12.382 1.00 0.00 C ATOM 624 C ARG A 36 3.496 -14.274 11.343 1.00 0.00 C ATOM 625 O ARG A 36 3.672 -13.991 10.158 1.00 0.00 O ATOM 626 CB ARG A 36 5.576 -15.128 12.433 1.00 0.00 C ATOM 627 CG ARG A 36 6.891 -14.752 13.094 1.00 0.00 C ATOM 628 CD ARG A 36 7.845 -15.932 13.147 1.00 0.00 C ATOM 629 NE ARG A 36 7.295 -17.042 13.920 1.00 0.00 N ATOM 630 CZ ARG A 36 7.940 -18.186 14.133 1.00 0.00 C ATOM 631 NH1 ARG A 36 9.156 -18.371 13.635 1.00 0.00 N ATOM 632 NH2 ARG A 36 7.369 -19.147 14.847 1.00 0.00 N ATOM 0 H ARG A 36 4.344 -14.375 14.429 1.00 0.00 H new ATOM 0 HA ARG A 36 5.089 -13.064 12.089 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.132 -15.964 12.973 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.774 -15.473 11.418 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.354 -13.933 12.544 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.701 -14.391 14.105 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.063 -16.268 12.133 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.790 -15.615 13.588 1.00 0.00 H new ATOM 0 HE ARG A 36 6.363 -16.934 14.320 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.600 -17.635 13.086 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.647 -19.250 13.801 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.435 -19.009 15.233 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.864 -20.024 15.010 1.00 0.00 H new ATOM 646 N ASP A 37 2.384 -14.845 11.793 1.00 0.00 N ATOM 647 CA ASP A 37 1.282 -15.177 10.897 1.00 0.00 C ATOM 648 C ASP A 37 0.671 -13.917 10.291 1.00 0.00 C ATOM 649 O ASP A 37 0.571 -13.791 9.071 1.00 0.00 O ATOM 650 CB ASP A 37 0.208 -15.969 11.647 1.00 0.00 C ATOM 651 CG ASP A 37 0.723 -17.301 12.158 1.00 0.00 C ATOM 652 OD1 ASP A 37 0.674 -18.288 11.395 1.00 0.00 O ATOM 653 OD2 ASP A 37 1.175 -17.355 13.321 1.00 0.00 O ATOM 0 H ASP A 37 2.222 -15.087 12.770 1.00 0.00 H new ATOM 0 HA ASP A 37 1.679 -15.790 10.088 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.156 -15.377 12.487 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.641 -16.140 10.986 1.00 0.00 H new ATOM 658 N ARG A 38 0.264 -12.986 11.150 1.00 0.00 N ATOM 659 CA ARG A 38 -0.337 -11.736 10.697 1.00 0.00 C ATOM 660 C ARG A 38 0.675 -10.874 9.951 1.00 0.00 C ATOM 661 O ARG A 38 0.443 -10.472 8.812 1.00 0.00 O ATOM 662 CB ARG A 38 -0.902 -10.952 11.883 1.00 0.00 C ATOM 663 CG ARG A 38 -2.365 -11.245 12.173 1.00 0.00 C ATOM 664 CD ARG A 38 -3.273 -10.696 11.083 1.00 0.00 C ATOM 665 NE ARG A 38 -4.686 -10.830 11.428 1.00 0.00 N ATOM 666 CZ ARG A 38 -5.682 -10.557 10.590 1.00 0.00 C ATOM 667 NH1 ARG A 38 -5.423 -10.146 9.355 1.00 0.00 N ATOM 668 NH2 ARG A 38 -6.940 -10.697 10.985 1.00 0.00 N ATOM 0 H ARG A 38 0.340 -13.074 12.163 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.147 -11.990 10.013 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.313 -11.180 12.771 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.786 -9.886 11.689 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.511 -12.322 12.260 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.641 -10.807 13.132 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.040 -9.645 10.912 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.077 -11.222 10.149 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.923 -11.152 12.367 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.457 -10.038 9.045 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.190 -9.938 8.715 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.145 -11.014 11.933 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.703 -10.487 10.341 1.00 0.00 H new ATOM 682 N ARG A 39 1.797 -10.594 10.604 1.00 0.00 N ATOM 683 CA ARG A 39 2.851 -9.770 10.020 1.00 0.00 C ATOM 684 C ARG A 39 3.216 -10.228 8.610 1.00 0.00 C ATOM 685 O ARG A 39 3.542 -9.410 7.751 1.00 0.00 O ATOM 686 CB ARG A 39 4.093 -9.802 10.910 1.00 0.00 C ATOM 687 CG ARG A 39 3.862 -9.238 12.302 1.00 0.00 C ATOM 688 CD ARG A 39 5.090 -9.412 13.180 1.00 0.00 C ATOM 689 NE ARG A 39 4.900 -8.844 14.512 1.00 0.00 N ATOM 690 CZ ARG A 39 5.544 -9.270 15.593 1.00 0.00 C ATOM 691 NH1 ARG A 39 6.404 -10.277 15.503 1.00 0.00 N ATOM 692 NH2 ARG A 39 5.327 -8.693 16.767 1.00 0.00 N ATOM 0 H ARG A 39 2.002 -10.928 11.546 1.00 0.00 H new ATOM 0 HA ARG A 39 2.471 -8.751 9.952 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.440 -10.832 10.998 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.890 -9.237 10.427 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.611 -8.180 12.231 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.010 -9.738 12.762 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.324 -10.473 13.269 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.946 -8.936 12.703 1.00 0.00 H new ATOM 0 HE ARG A 39 4.236 -8.077 14.618 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.572 -10.726 14.602 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.897 -10.602 16.334 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.665 -7.921 16.841 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.822 -9.021 17.596 1.00 0.00 H new ATOM 706 N TYR A 40 3.156 -11.535 8.373 1.00 0.00 N ATOM 707 CA TYR A 40 3.501 -12.093 7.068 1.00 0.00 C ATOM 708 C TYR A 40 2.429 -11.799 6.021 1.00 0.00 C ATOM 709 O TYR A 40 2.707 -11.169 5.001 1.00 0.00 O ATOM 710 CB TYR A 40 3.711 -13.602 7.180 1.00 0.00 C ATOM 711 CG TYR A 40 4.066 -14.267 5.868 1.00 0.00 C ATOM 712 CD1 TYR A 40 5.316 -14.083 5.290 1.00 0.00 C ATOM 713 CD2 TYR A 40 3.150 -15.079 5.209 1.00 0.00 C ATOM 714 CE1 TYR A 40 5.643 -14.687 4.091 1.00 0.00 C ATOM 715 CE2 TYR A 40 3.471 -15.687 4.010 1.00 0.00 C ATOM 716 CZ TYR A 40 4.717 -15.489 3.456 1.00 0.00 C ATOM 717 OH TYR A 40 5.039 -16.092 2.262 1.00 0.00 O ATOM 0 H TYR A 40 2.872 -12.227 9.066 1.00 0.00 H new ATOM 0 HA TYR A 40 4.426 -11.616 6.743 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.504 -13.797 7.902 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.803 -14.058 7.574 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.044 -13.458 5.786 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.173 -15.237 5.641 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.618 -14.532 3.653 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.748 -16.315 3.510 1.00 0.00 H new ATOM 0 HH TYR A 40 4.278 -16.623 1.948 1.00 0.00 H new ATOM 727 N GLU A 41 1.209 -12.260 6.276 1.00 0.00 N ATOM 728 CA GLU A 41 0.104 -12.059 5.341 1.00 0.00 C ATOM 729 C GLU A 41 -0.079 -10.583 4.998 1.00 0.00 C ATOM 730 O GLU A 41 -0.290 -10.228 3.838 1.00 0.00 O ATOM 731 CB GLU A 41 -1.196 -12.626 5.917 1.00 0.00 C ATOM 732 CG GLU A 41 -1.603 -12.003 7.243 1.00 0.00 C ATOM 733 CD GLU A 41 -2.963 -12.479 7.717 1.00 0.00 C ATOM 734 OE1 GLU A 41 -3.031 -13.564 8.334 1.00 0.00 O ATOM 735 OE2 GLU A 41 -3.959 -11.768 7.471 1.00 0.00 O ATOM 0 H GLU A 41 0.959 -12.775 7.120 1.00 0.00 H new ATOM 0 HA GLU A 41 0.351 -12.592 4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.998 -12.476 5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.084 -13.702 6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.854 -12.243 7.998 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.617 -10.918 7.142 1.00 0.00 H new ATOM 742 N VAL A 42 0.005 -9.726 6.010 1.00 0.00 N ATOM 743 CA VAL A 42 -0.158 -8.292 5.810 1.00 0.00 C ATOM 744 C VAL A 42 1.048 -7.691 5.092 1.00 0.00 C ATOM 745 O VAL A 42 0.954 -6.619 4.498 1.00 0.00 O ATOM 746 CB VAL A 42 -0.374 -7.558 7.148 1.00 0.00 C ATOM 747 CG1 VAL A 42 -1.505 -8.206 7.930 1.00 0.00 C ATOM 748 CG2 VAL A 42 0.908 -7.536 7.969 1.00 0.00 C ATOM 0 H VAL A 42 0.185 -10.000 6.976 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.043 -8.159 5.188 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.651 -6.526 6.932 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.646 -7.677 8.872 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.424 -8.159 7.347 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.257 -9.248 8.133 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.730 -7.013 8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.224 -8.558 8.178 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.689 -7.022 7.410 1.00 0.00 H new ATOM 758 N ALA A 43 2.178 -8.389 5.150 1.00 0.00 N ATOM 759 CA ALA A 43 3.400 -7.919 4.504 1.00 0.00 C ATOM 760 C ALA A 43 3.389 -8.252 3.018 1.00 0.00 C ATOM 761 O ALA A 43 4.006 -7.557 2.209 1.00 0.00 O ATOM 762 CB ALA A 43 4.619 -8.534 5.171 1.00 0.00 C ATOM 0 H ALA A 43 2.273 -9.280 5.637 1.00 0.00 H new ATOM 0 HA ALA A 43 3.448 -6.835 4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.523 -8.175 4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.641 -8.249 6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.569 -9.620 5.090 1.00 0.00 H new ATOM 768 N ARG A 44 2.683 -9.319 2.668 1.00 0.00 N ATOM 769 CA ARG A 44 2.584 -9.755 1.283 1.00 0.00 C ATOM 770 C ARG A 44 1.629 -8.863 0.500 1.00 0.00 C ATOM 771 O ARG A 44 1.815 -8.634 -0.696 1.00 0.00 O ATOM 772 CB ARG A 44 2.108 -11.206 1.231 1.00 0.00 C ATOM 773 CG ARG A 44 3.174 -12.214 1.628 1.00 0.00 C ATOM 774 CD ARG A 44 4.301 -12.266 0.609 1.00 0.00 C ATOM 775 NE ARG A 44 5.320 -13.247 0.968 1.00 0.00 N ATOM 776 CZ ARG A 44 6.259 -13.675 0.130 1.00 0.00 C ATOM 777 NH1 ARG A 44 6.303 -13.213 -1.112 1.00 0.00 N ATOM 778 NH2 ARG A 44 7.153 -14.567 0.533 1.00 0.00 N ATOM 0 H ARG A 44 2.168 -9.901 3.329 1.00 0.00 H new ATOM 0 HA ARG A 44 3.571 -9.682 0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.248 -11.321 1.891 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.766 -11.431 0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.578 -11.951 2.606 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.724 -13.202 1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.892 -12.511 -0.371 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.760 -11.281 0.526 1.00 0.00 H new ATOM 0 HE ARG A 44 5.311 -13.626 1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.616 -12.528 -1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.024 -13.543 -1.753 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.121 -14.926 1.487 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.873 -14.894 -0.111 1.00 0.00 H new ATOM 792 N VAL A 45 0.606 -8.361 1.184 1.00 0.00 N ATOM 793 CA VAL A 45 -0.386 -7.498 0.556 1.00 0.00 C ATOM 794 C VAL A 45 0.043 -6.033 0.599 1.00 0.00 C ATOM 795 O VAL A 45 -0.300 -5.252 -0.289 1.00 0.00 O ATOM 796 CB VAL A 45 -1.764 -7.651 1.227 1.00 0.00 C ATOM 797 CG1 VAL A 45 -2.146 -9.119 1.321 1.00 0.00 C ATOM 798 CG2 VAL A 45 -1.775 -7.008 2.606 1.00 0.00 C ATOM 0 H VAL A 45 0.443 -8.538 2.175 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.464 -7.810 -0.486 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.501 -7.137 0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.122 -9.211 1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.189 -9.549 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.402 -9.651 1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.760 -7.131 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.025 -7.486 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.548 -5.946 2.514 1.00 0.00 H new ATOM 808 N LEU A 46 0.791 -5.667 1.636 1.00 0.00 N ATOM 809 CA LEU A 46 1.264 -4.294 1.789 1.00 0.00 C ATOM 810 C LEU A 46 2.655 -4.125 1.187 1.00 0.00 C ATOM 811 O LEU A 46 3.203 -3.023 1.168 1.00 0.00 O ATOM 812 CB LEU A 46 1.279 -3.893 3.268 1.00 0.00 C ATOM 813 CG LEU A 46 -0.095 -3.786 3.931 1.00 0.00 C ATOM 814 CD1 LEU A 46 0.055 -3.395 5.394 1.00 0.00 C ATOM 815 CD2 LEU A 46 -0.966 -2.780 3.192 1.00 0.00 C ATOM 0 H LEU A 46 1.082 -6.300 2.381 1.00 0.00 H new ATOM 0 HA LEU A 46 0.576 -3.640 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.874 -4.622 3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.785 -2.932 3.362 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.583 -4.760 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.930 -3.322 5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.643 -4.151 5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.560 -2.431 5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.940 -2.716 3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.487 -1.801 3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.096 -3.101 2.158 1.00 0.00 H new ATOM 827 N ASN A 47 3.220 -5.228 0.700 1.00 0.00 N ATOM 828 CA ASN A 47 4.545 -5.215 0.089 1.00 0.00 C ATOM 829 C ASN A 47 5.591 -4.673 1.061 1.00 0.00 C ATOM 830 O ASN A 47 6.516 -3.963 0.664 1.00 0.00 O ATOM 831 CB ASN A 47 4.528 -4.370 -1.190 1.00 0.00 C ATOM 832 CG ASN A 47 5.765 -4.581 -2.044 1.00 0.00 C ATOM 833 OD1 ASN A 47 6.290 -5.803 -2.039 1.00 0.00 O flip ATOM 834 ND2 ASN A 47 6.241 -3.657 -2.703 1.00 0.00 N flip ATOM 0 H ASN A 47 2.777 -6.146 0.718 1.00 0.00 H new ATOM 0 HA ASN A 47 4.813 -6.241 -0.164 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.641 -4.618 -1.773 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.450 -3.316 -0.924 1.00 0.00 H new ATOM 0 HD21 ASN A 47 5.806 -2.735 -2.677 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.071 -3.813 -3.275 1.00 0.00 H new ATOM 841 N LEU A 48 5.444 -5.022 2.336 1.00 0.00 N ATOM 842 CA LEU A 48 6.375 -4.566 3.362 1.00 0.00 C ATOM 843 C LEU A 48 7.160 -5.735 3.949 1.00 0.00 C ATOM 844 O LEU A 48 6.953 -6.889 3.570 1.00 0.00 O ATOM 845 CB LEU A 48 5.620 -3.839 4.477 1.00 0.00 C ATOM 846 CG LEU A 48 4.624 -2.776 4.008 1.00 0.00 C ATOM 847 CD1 LEU A 48 3.961 -2.107 5.202 1.00 0.00 C ATOM 848 CD2 LEU A 48 5.311 -1.740 3.129 1.00 0.00 C ATOM 0 H LEU A 48 4.691 -5.617 2.682 1.00 0.00 H new ATOM 0 HA LEU A 48 7.079 -3.877 2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.084 -4.578 5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.347 -3.366 5.137 1.00 0.00 H new ATOM 0 HG LEU A 48 3.854 -3.268 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.256 -1.354 4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.430 -2.856 5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.722 -1.632 5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.583 -0.995 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.105 -1.252 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.738 -2.231 2.254 1.00 0.00 H new ATOM 860 N THR A 49 8.062 -5.426 4.876 1.00 0.00 N ATOM 861 CA THR A 49 8.879 -6.446 5.523 1.00 0.00 C ATOM 862 C THR A 49 8.142 -7.051 6.714 1.00 0.00 C ATOM 863 O THR A 49 7.301 -6.398 7.331 1.00 0.00 O ATOM 864 CB THR A 49 10.223 -5.863 6.002 1.00 0.00 C ATOM 865 OG1 THR A 49 10.852 -5.144 4.936 1.00 0.00 O ATOM 866 CG2 THR A 49 11.155 -6.964 6.486 1.00 0.00 C ATOM 0 H THR A 49 8.245 -4.475 5.196 1.00 0.00 H new ATOM 0 HA THR A 49 9.074 -7.223 4.784 1.00 0.00 H new ATOM 0 HB THR A 49 10.020 -5.187 6.833 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.704 -4.775 5.249 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.096 -6.525 6.818 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.690 -7.496 7.316 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.348 -7.662 5.671 1.00 0.00 H new ATOM 874 N GLU A 50 8.458 -8.304 7.029 1.00 0.00 N ATOM 875 CA GLU A 50 7.825 -8.997 8.146 1.00 0.00 C ATOM 876 C GLU A 50 8.015 -8.230 9.451 1.00 0.00 C ATOM 877 O GLU A 50 7.125 -8.205 10.302 1.00 0.00 O ATOM 878 CB GLU A 50 8.394 -10.409 8.285 1.00 0.00 C ATOM 879 CG GLU A 50 8.121 -11.297 7.083 1.00 0.00 C ATOM 880 CD GLU A 50 8.675 -12.698 7.256 1.00 0.00 C ATOM 881 OE1 GLU A 50 7.981 -13.540 7.863 1.00 0.00 O ATOM 882 OE2 GLU A 50 9.802 -12.953 6.782 1.00 0.00 O ATOM 0 H GLU A 50 9.149 -8.860 6.526 1.00 0.00 H new ATOM 0 HA GLU A 50 6.757 -9.059 7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.471 -10.344 8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.971 -10.876 9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.046 -11.354 6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.560 -10.844 6.194 1.00 0.00 H new ATOM 889 N ARG A 51 9.179 -7.609 9.605 1.00 0.00 N ATOM 890 CA ARG A 51 9.483 -6.845 10.809 1.00 0.00 C ATOM 891 C ARG A 51 8.959 -5.417 10.709 1.00 0.00 C ATOM 892 O ARG A 51 8.582 -4.815 11.714 1.00 0.00 O ATOM 893 CB ARG A 51 10.985 -6.828 11.057 1.00 0.00 C ATOM 894 CG ARG A 51 11.508 -8.147 11.594 1.00 0.00 C ATOM 895 CD ARG A 51 13.016 -8.135 11.720 1.00 0.00 C ATOM 896 NE ARG A 51 13.476 -7.204 12.747 1.00 0.00 N ATOM 897 CZ ARG A 51 14.757 -7.019 13.056 1.00 0.00 C ATOM 898 NH1 ARG A 51 15.703 -7.698 12.420 1.00 0.00 N ATOM 899 NH2 ARG A 51 15.093 -6.154 14.004 1.00 0.00 N ATOM 0 H ARG A 51 9.927 -7.620 8.912 1.00 0.00 H new ATOM 0 HA ARG A 51 8.984 -7.332 11.646 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.500 -6.591 10.126 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.223 -6.033 11.764 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.062 -8.347 12.568 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.204 -8.957 10.932 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.367 -9.139 11.959 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.457 -7.863 10.761 1.00 0.00 H new ATOM 0 HE ARG A 51 12.776 -6.665 13.256 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.450 -8.365 11.691 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.684 -7.553 12.660 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.369 -5.630 14.496 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.075 -6.013 14.241 1.00 0.00 H new ATOM 913 N GLN A 52 8.933 -4.884 9.492 1.00 0.00 N ATOM 914 CA GLN A 52 8.465 -3.522 9.259 1.00 0.00 C ATOM 915 C GLN A 52 7.083 -3.297 9.866 1.00 0.00 C ATOM 916 O GLN A 52 6.755 -2.187 10.285 1.00 0.00 O ATOM 917 CB GLN A 52 8.427 -3.228 7.760 1.00 0.00 C ATOM 918 CG GLN A 52 8.122 -1.775 7.437 1.00 0.00 C ATOM 919 CD GLN A 52 8.038 -1.513 5.945 1.00 0.00 C ATOM 920 OE1 GLN A 52 7.229 -0.533 5.562 1.00 0.00 O flip ATOM 921 NE2 GLN A 52 8.694 -2.183 5.148 1.00 0.00 N flip ATOM 0 H GLN A 52 9.231 -5.376 8.650 1.00 0.00 H new ATOM 0 HA GLN A 52 9.164 -2.841 9.745 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.388 -3.496 7.320 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.674 -3.862 7.292 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.179 -1.493 7.905 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.895 -1.141 7.870 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.303 -2.927 5.488 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.628 -1.994 4.148 1.00 0.00 H new ATOM 930 N VAL A 53 6.279 -4.353 9.910 1.00 0.00 N ATOM 931 CA VAL A 53 4.932 -4.264 10.460 1.00 0.00 C ATOM 932 C VAL A 53 4.950 -3.874 11.936 1.00 0.00 C ATOM 933 O VAL A 53 4.417 -2.832 12.317 1.00 0.00 O ATOM 934 CB VAL A 53 4.173 -5.597 10.305 1.00 0.00 C ATOM 935 CG1 VAL A 53 2.750 -5.468 10.825 1.00 0.00 C ATOM 936 CG2 VAL A 53 4.179 -6.049 8.854 1.00 0.00 C ATOM 0 H VAL A 53 6.536 -5.280 9.572 1.00 0.00 H new ATOM 0 HA VAL A 53 4.418 -3.487 9.894 1.00 0.00 H new ATOM 0 HB VAL A 53 4.684 -6.354 10.900 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.232 -6.419 10.706 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.772 -5.196 11.880 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.225 -4.696 10.262 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.639 -6.991 8.764 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.695 -5.293 8.235 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.207 -6.187 8.520 1.00 0.00 H new ATOM 946 N LYS A 54 5.566 -4.715 12.762 1.00 0.00 N ATOM 947 CA LYS A 54 5.638 -4.462 14.198 1.00 0.00 C ATOM 948 C LYS A 54 6.402 -3.176 14.506 1.00 0.00 C ATOM 949 O LYS A 54 6.072 -2.463 15.454 1.00 0.00 O ATOM 950 CB LYS A 54 6.292 -5.645 14.916 1.00 0.00 C ATOM 951 CG LYS A 54 7.714 -5.924 14.474 1.00 0.00 C ATOM 952 CD LYS A 54 8.281 -7.134 15.195 1.00 0.00 C ATOM 953 CE LYS A 54 9.785 -7.219 15.029 1.00 0.00 C ATOM 954 NZ LYS A 54 10.349 -8.431 15.685 1.00 0.00 N ATOM 0 H LYS A 54 6.022 -5.577 12.462 1.00 0.00 H new ATOM 0 HA LYS A 54 4.618 -4.341 14.562 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.287 -5.454 15.989 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.689 -6.537 14.749 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.737 -6.094 13.398 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.338 -5.053 14.673 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.033 -7.078 16.255 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.818 -8.041 14.807 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.033 -7.232 13.968 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.248 -6.328 15.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.380 -8.452 15.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.135 -8.406 16.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.927 -9.283 15.263 1.00 0.00 H new ATOM 968 N ILE A 55 7.422 -2.881 13.704 1.00 0.00 N ATOM 969 CA ILE A 55 8.224 -1.679 13.902 1.00 0.00 C ATOM 970 C ILE A 55 7.405 -0.423 13.617 1.00 0.00 C ATOM 971 O ILE A 55 7.630 0.627 14.219 1.00 0.00 O ATOM 972 CB ILE A 55 9.480 -1.680 13.005 1.00 0.00 C ATOM 973 CG1 ILE A 55 10.342 -2.910 13.302 1.00 0.00 C ATOM 974 CG2 ILE A 55 10.284 -0.403 13.211 1.00 0.00 C ATOM 975 CD1 ILE A 55 11.482 -3.105 12.325 1.00 0.00 C ATOM 0 H ILE A 55 7.711 -3.457 12.913 1.00 0.00 H new ATOM 0 HA ILE A 55 8.539 -1.677 14.946 1.00 0.00 H new ATOM 0 HB ILE A 55 9.163 -1.721 11.963 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.749 -2.822 14.309 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.709 -3.797 13.290 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.166 -0.421 12.571 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.668 0.460 12.956 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.594 -0.332 14.254 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.048 -3.995 12.599 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.082 -3.225 11.318 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.138 -2.235 12.353 1.00 0.00 H new ATOM 987 N TRP A 56 6.451 -0.540 12.699 1.00 0.00 N ATOM 988 CA TRP A 56 5.599 0.585 12.332 1.00 0.00 C ATOM 989 C TRP A 56 4.725 1.015 13.507 1.00 0.00 C ATOM 990 O TRP A 56 4.686 2.192 13.865 1.00 0.00 O ATOM 991 CB TRP A 56 4.723 0.218 11.132 1.00 0.00 C ATOM 992 CG TRP A 56 3.812 1.327 10.699 1.00 0.00 C ATOM 993 CD1 TRP A 56 2.447 1.323 10.728 1.00 0.00 C ATOM 994 CD2 TRP A 56 4.199 2.604 10.177 1.00 0.00 C ATOM 995 NE1 TRP A 56 1.962 2.518 10.255 1.00 0.00 N ATOM 996 CE2 TRP A 56 3.018 3.321 9.911 1.00 0.00 C ATOM 997 CE3 TRP A 56 5.430 3.209 9.909 1.00 0.00 C ATOM 998 CZ2 TRP A 56 3.032 4.613 9.389 1.00 0.00 C ATOM 999 CZ3 TRP A 56 5.443 4.491 9.392 1.00 0.00 C ATOM 1000 CH2 TRP A 56 4.251 5.181 9.138 1.00 0.00 C ATOM 0 H TRP A 56 6.249 -1.404 12.195 1.00 0.00 H new ATOM 0 HA TRP A 56 6.242 1.422 12.060 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.364 -0.063 10.296 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.124 -0.657 11.383 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.838 0.501 11.072 1.00 0.00 H new ATOM 0 HE1 TRP A 56 0.976 2.767 10.173 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.354 2.685 10.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 2.114 5.146 9.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.388 4.969 9.180 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.295 6.182 8.736 1.00 0.00 H new ATOM 1011 N PHE A 57 4.025 0.053 14.104 1.00 0.00 N ATOM 1012 CA PHE A 57 3.151 0.334 15.239 1.00 0.00 C ATOM 1013 C PHE A 57 3.958 0.745 16.466 1.00 0.00 C ATOM 1014 O PHE A 57 3.551 1.630 17.218 1.00 0.00 O ATOM 1015 CB PHE A 57 2.294 -0.890 15.568 1.00 0.00 C ATOM 1016 CG PHE A 57 1.276 -1.213 14.514 1.00 0.00 C ATOM 1017 CD1 PHE A 57 0.070 -0.533 14.464 1.00 0.00 C ATOM 1018 CD2 PHE A 57 1.523 -2.201 13.574 1.00 0.00 C ATOM 1019 CE1 PHE A 57 -0.870 -0.830 13.496 1.00 0.00 C ATOM 1020 CE2 PHE A 57 0.586 -2.503 12.603 1.00 0.00 C ATOM 1021 CZ PHE A 57 -0.612 -1.816 12.565 1.00 0.00 C ATOM 0 H PHE A 57 4.046 -0.927 13.821 1.00 0.00 H new ATOM 0 HA PHE A 57 2.500 1.163 14.961 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.946 -1.752 15.708 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.782 -0.721 16.515 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.138 0.239 15.191 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.458 -2.741 13.600 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.806 -0.291 13.468 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.790 -3.275 11.876 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.346 -2.050 11.808 1.00 0.00 H new ATOM 1031 N GLN A 58 5.101 0.096 16.661 1.00 0.00 N ATOM 1032 CA GLN A 58 5.965 0.389 17.798 1.00 0.00 C ATOM 1033 C GLN A 58 6.391 1.853 17.796 1.00 0.00 C ATOM 1034 O GLN A 58 6.287 2.539 18.812 1.00 0.00 O ATOM 1035 CB GLN A 58 7.197 -0.514 17.770 1.00 0.00 C ATOM 1036 CG GLN A 58 8.067 -0.389 19.009 1.00 0.00 C ATOM 1037 CD GLN A 58 7.309 -0.680 20.290 1.00 0.00 C ATOM 1038 OE1 GLN A 58 7.263 -1.821 20.752 1.00 0.00 O ATOM 1039 NE2 GLN A 58 6.706 0.352 20.870 1.00 0.00 N ATOM 0 H GLN A 58 5.451 -0.638 16.045 1.00 0.00 H new ATOM 0 HA GLN A 58 5.402 0.197 18.711 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.876 -1.550 17.664 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.794 -0.274 16.890 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.910 -1.076 18.927 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.480 0.618 19.057 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.770 1.281 20.453 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.179 0.216 21.733 1.00 0.00 H new ATOM 1048 N ASN A 59 6.872 2.321 16.649 1.00 0.00 N ATOM 1049 CA ASN A 59 7.311 3.706 16.511 1.00 0.00 C ATOM 1050 C ASN A 59 6.198 4.674 16.905 1.00 0.00 C ATOM 1051 O ASN A 59 6.428 5.635 17.641 1.00 0.00 O ATOM 1052 CB ASN A 59 7.759 3.982 15.074 1.00 0.00 C ATOM 1053 CG ASN A 59 9.044 3.259 14.717 1.00 0.00 C ATOM 1054 OD1 ASN A 59 9.894 3.017 15.574 1.00 0.00 O ATOM 1055 ND2 ASN A 59 9.192 2.907 13.444 1.00 0.00 N ATOM 0 H ASN A 59 6.968 1.762 15.801 1.00 0.00 H new ATOM 0 HA ASN A 59 8.155 3.860 17.183 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.971 3.676 14.386 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.900 5.055 14.941 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.035 2.417 13.145 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.463 3.127 12.766 1.00 0.00 H new ATOM 1062 N ARG A 60 4.992 4.413 16.410 1.00 0.00 N ATOM 1063 CA ARG A 60 3.841 5.258 16.711 1.00 0.00 C ATOM 1064 C ARG A 60 3.537 5.251 18.208 1.00 0.00 C ATOM 1065 O ARG A 60 2.884 6.157 18.723 1.00 0.00 O ATOM 1066 CB ARG A 60 2.615 4.793 15.922 1.00 0.00 C ATOM 1067 CG ARG A 60 2.747 4.987 14.419 1.00 0.00 C ATOM 1068 CD ARG A 60 2.784 6.461 14.043 1.00 0.00 C ATOM 1069 NE ARG A 60 2.839 6.655 12.596 1.00 0.00 N ATOM 1070 CZ ARG A 60 3.091 7.824 12.016 1.00 0.00 C ATOM 1071 NH1 ARG A 60 3.309 8.905 12.756 1.00 0.00 N ATOM 1072 NH2 ARG A 60 3.125 7.915 10.693 1.00 0.00 N ATOM 0 H ARG A 60 4.786 3.623 15.799 1.00 0.00 H new ATOM 0 HA ARG A 60 4.084 6.278 16.414 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.439 3.737 16.129 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.739 5.337 16.274 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.656 4.499 14.067 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.910 4.504 13.915 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.901 6.959 14.442 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.652 6.931 14.505 1.00 0.00 H new ATOM 0 HE ARG A 60 2.674 5.847 11.996 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.283 8.840 13.774 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.502 9.800 12.307 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.958 7.088 10.120 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.318 8.812 10.248 1.00 0.00 H new ATOM 1086 N ARG A 61 3.999 4.211 18.897 1.00 0.00 N ATOM 1087 CA ARG A 61 3.786 4.090 20.335 1.00 0.00 C ATOM 1088 C ARG A 61 4.839 4.875 21.113 1.00 0.00 C ATOM 1089 O ARG A 61 4.541 5.469 22.150 1.00 0.00 O ATOM 1090 CB ARG A 61 3.813 2.620 20.760 1.00 0.00 C ATOM 1091 CG ARG A 61 2.597 1.830 20.305 1.00 0.00 C ATOM 1092 CD ARG A 61 1.321 2.349 20.949 1.00 0.00 C ATOM 1093 NE ARG A 61 0.147 1.591 20.528 1.00 0.00 N ATOM 1094 CZ ARG A 61 -1.102 1.947 20.815 1.00 0.00 C ATOM 1095 NH1 ARG A 61 -1.336 3.049 21.516 1.00 0.00 N ATOM 1096 NH2 ARG A 61 -2.119 1.203 20.400 1.00 0.00 N ATOM 0 H ARG A 61 4.523 3.440 18.482 1.00 0.00 H new ATOM 0 HA ARG A 61 2.805 4.507 20.563 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.711 2.151 20.358 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.884 2.566 21.846 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.508 1.890 19.220 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.731 0.778 20.557 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.416 2.297 22.034 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.186 3.399 20.690 1.00 0.00 H new ATOM 0 HE ARG A 61 0.292 0.741 19.983 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.557 3.625 21.836 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.295 3.320 21.735 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.944 0.356 19.860 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.076 1.478 20.621 1.00 0.00 H new ATOM 1110 N MET A 62 6.071 4.869 20.608 1.00 0.00 N ATOM 1111 CA MET A 62 7.171 5.574 21.258 1.00 0.00 C ATOM 1112 C MET A 62 6.839 7.048 21.462 1.00 0.00 C ATOM 1113 O MET A 62 7.053 7.593 22.544 1.00 0.00 O ATOM 1114 CB MET A 62 8.454 5.439 20.435 1.00 0.00 C ATOM 1115 CG MET A 62 8.773 4.008 20.042 1.00 0.00 C ATOM 1116 SD MET A 62 10.487 3.791 19.526 1.00 0.00 S ATOM 1117 CE MET A 62 10.587 4.953 18.167 1.00 0.00 C ATOM 0 H MET A 62 6.332 4.383 19.750 1.00 0.00 H new ATOM 0 HA MET A 62 7.324 5.119 22.236 1.00 0.00 H new ATOM 0 HB2 MET A 62 8.363 6.044 19.533 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.288 5.845 21.008 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.566 3.350 20.886 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.113 3.703 19.230 1.00 0.00 H new ATOM 0 HE1 MET A 62 11.034 4.463 17.302 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.586 5.300 17.911 1.00 0.00 H new ATOM 0 HE3 MET A 62 11.202 5.804 18.460 1.00 0.00 H new ATOM 1127 N LYS A 63 6.318 7.689 20.422 1.00 0.00 N ATOM 1128 CA LYS A 63 5.959 9.100 20.503 1.00 0.00 C ATOM 1129 C LYS A 63 4.937 9.330 21.612 1.00 0.00 C ATOM 1130 O LYS A 63 4.907 10.391 22.235 1.00 0.00 O ATOM 1131 CB LYS A 63 5.403 9.593 19.164 1.00 0.00 C ATOM 1132 CG LYS A 63 4.142 8.868 18.722 1.00 0.00 C ATOM 1133 CD LYS A 63 3.563 9.469 17.450 1.00 0.00 C ATOM 1134 CE LYS A 63 3.057 10.886 17.680 1.00 0.00 C ATOM 1135 NZ LYS A 63 2.467 11.473 16.445 1.00 0.00 N ATOM 0 H LYS A 63 6.135 7.256 19.517 1.00 0.00 H new ATOM 0 HA LYS A 63 6.860 9.667 20.736 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.191 10.660 19.239 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.168 9.474 18.397 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.367 7.814 18.557 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.398 8.914 19.517 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.325 9.476 16.671 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.746 8.844 17.091 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.308 10.880 18.472 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.879 11.514 18.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.134 12.438 16.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.188 11.503 15.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.666 10.889 16.131 1.00 0.00 H new ATOM 1149 N MET A 64 4.098 8.324 21.848 1.00 0.00 N ATOM 1150 CA MET A 64 3.074 8.404 22.884 1.00 0.00 C ATOM 1151 C MET A 64 3.632 7.981 24.241 1.00 0.00 C ATOM 1152 O MET A 64 3.028 8.252 25.281 1.00 0.00 O ATOM 1153 CB MET A 64 1.879 7.528 22.512 1.00 0.00 C ATOM 1154 CG MET A 64 1.201 7.946 21.217 1.00 0.00 C ATOM 1155 SD MET A 64 0.495 9.604 21.306 1.00 0.00 S ATOM 1156 CE MET A 64 -0.749 9.376 22.575 1.00 0.00 C ATOM 0 H MET A 64 4.108 7.443 21.334 1.00 0.00 H new ATOM 0 HA MET A 64 2.747 9.441 22.958 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.211 6.494 22.422 1.00 0.00 H new ATOM 0 HB3 MET A 64 1.150 7.559 23.321 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.925 7.907 20.403 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.413 7.232 20.977 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.452 10.208 22.549 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.284 8.443 22.397 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.269 9.338 23.553 1.00 0.00 H new ATOM 1166 N LYS A 65 4.783 7.316 24.226 1.00 0.00 N ATOM 1167 CA LYS A 65 5.417 6.853 25.459 1.00 0.00 C ATOM 1168 C LYS A 65 5.953 8.023 26.278 1.00 0.00 C ATOM 1169 O LYS A 65 6.448 7.837 27.390 1.00 0.00 O ATOM 1170 CB LYS A 65 6.546 5.867 25.145 1.00 0.00 C ATOM 1171 CG LYS A 65 6.061 4.450 24.878 1.00 0.00 C ATOM 1172 CD LYS A 65 5.466 3.819 26.128 1.00 0.00 C ATOM 1173 CE LYS A 65 4.835 2.468 25.830 1.00 0.00 C ATOM 1174 NZ LYS A 65 5.826 1.499 25.289 1.00 0.00 N ATOM 0 H LYS A 65 5.296 7.085 23.375 1.00 0.00 H new ATOM 0 HA LYS A 65 4.658 6.343 26.052 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.097 6.224 24.275 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.246 5.851 25.980 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.313 4.464 24.085 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.892 3.841 24.522 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.245 3.699 26.881 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.715 4.486 26.550 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.394 2.065 26.741 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.024 2.596 25.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.386 0.560 25.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.141 1.813 24.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.644 1.446 25.929 1.00 0.00 H new ATOM 1188 N LYS A 66 5.854 9.228 25.725 1.00 0.00 N ATOM 1189 CA LYS A 66 6.320 10.425 26.416 1.00 0.00 C ATOM 1190 C LYS A 66 5.169 11.102 27.155 1.00 0.00 C ATOM 1191 O LYS A 66 5.358 11.673 28.229 1.00 0.00 O ATOM 1192 CB LYS A 66 6.957 11.407 25.429 1.00 0.00 C ATOM 1193 CG LYS A 66 8.363 11.017 24.993 1.00 0.00 C ATOM 1194 CD LYS A 66 8.349 9.829 24.044 1.00 0.00 C ATOM 1195 CE LYS A 66 9.759 9.410 23.656 1.00 0.00 C ATOM 1196 NZ LYS A 66 10.503 10.510 22.980 1.00 0.00 N ATOM 0 H LYS A 66 5.456 9.401 24.802 1.00 0.00 H new ATOM 0 HA LYS A 66 7.074 10.122 27.143 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.322 11.484 24.547 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.990 12.396 25.886 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.841 11.866 24.505 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.962 10.774 25.871 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.836 8.991 24.516 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.784 10.085 23.147 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.303 9.099 24.548 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.711 8.545 22.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.381 10.134 22.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.913 10.916 22.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.735 11.250 23.673 1.00 0.00 H new ATOM 1210 N MET A 67 3.976 11.029 26.569 1.00 0.00 N ATOM 1211 CA MET A 67 2.788 11.629 27.168 1.00 0.00 C ATOM 1212 C MET A 67 1.527 11.174 26.440 1.00 0.00 C ATOM 1213 O MET A 67 1.498 11.103 25.212 1.00 0.00 O ATOM 1214 CB MET A 67 2.888 13.155 27.141 1.00 0.00 C ATOM 1215 CG MET A 67 3.030 13.734 25.743 1.00 0.00 C ATOM 1216 SD MET A 67 3.215 15.527 25.748 1.00 0.00 S ATOM 1217 CE MET A 67 3.364 15.854 23.993 1.00 0.00 C ATOM 0 H MET A 67 3.807 10.560 25.679 1.00 0.00 H new ATOM 0 HA MET A 67 2.728 11.299 28.205 1.00 0.00 H new ATOM 0 HB2 MET A 67 1.999 13.577 27.611 1.00 0.00 H new ATOM 0 HB3 MET A 67 3.743 13.465 27.741 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.895 13.285 25.254 1.00 0.00 H new ATOM 0 HG3 MET A 67 2.155 13.465 25.152 1.00 0.00 H new ATOM 0 HE1 MET A 67 3.485 16.925 23.831 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.232 15.327 23.597 1.00 0.00 H new ATOM 0 HE3 MET A 67 2.465 15.509 23.481 1.00 0.00 H new ATOM 1227 N ASN A 68 0.483 10.867 27.207 1.00 0.00 N ATOM 1228 CA ASN A 68 -0.781 10.416 26.636 1.00 0.00 C ATOM 1229 C ASN A 68 -1.625 11.600 26.172 1.00 0.00 C ATOM 1230 O ASN A 68 -1.519 11.970 24.984 1.00 0.00 O ATOM 1231 CB ASN A 68 -1.560 9.589 27.662 1.00 0.00 C ATOM 1232 CG ASN A 68 -2.872 9.058 27.113 1.00 0.00 C ATOM 1233 OD1 ASN A 68 -2.910 8.798 25.810 1.00 0.00 O flip ATOM 1234 ND2 ASN A 68 -3.840 8.883 27.852 1.00 0.00 N flip ATOM 1235 OXT ASN A 68 -2.382 12.147 27.001 1.00 0.00 O ATOM 0 H ASN A 68 0.489 10.923 28.225 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.558 9.793 25.770 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.944 8.752 27.991 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.760 10.203 28.540 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.767 9.096 28.847 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.715 8.525 27.470 1.00 0.00 H new TER 1242 ASN A 68