USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 759 hydrogens (29 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 72 HIS : no HD1:sc=-0.00696 K(o=0.16,f=-0.77) USER MOD Set 1.2: A 91 SER OG : rot 170:sc= 0.169 USER MOD Set 2.1: A 59 TYR OH : rot 172:sc= 1.18 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -141:sc= 1.22 (180deg=0.746) USER MOD Set 3.1: A 35 LYS NZ :NH3+ 153:sc= 0.31 (180deg=0) USER MOD Set 3.2: A 38 HIS : no HD1:sc= -0.668 K(o=-0.36,f=-1.7) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0.535 K(o=0.54,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.678 K(o=0.68,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 168:sc= 0.996 (180deg=0.886) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 174:sc= 0 (180deg=-0.0457) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 157:sc= -0.209 (180deg=-1.91) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.622 K(o=0.62,f=-0.12) USER MOD Single : A 61 MET CE :methyl 173:sc= -1.88 (180deg=-2.27) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 69 GLN : amide:sc= 0.501 K(o=0.5,f=-0.014) USER MOD Single : A 71 GLN : amide:sc= 0.896 K(o=0.9,f=-0.33) USER MOD Single : A 73 MET CE :methyl -176:sc= -0.0137 (180deg=-0.0205) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -119:sc= 0.143 USER MOD Single : A 88 GLN : amide:sc= 0.172 X(o=0.17,f=-0.2) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -155:sc= -0.06 (180deg=-0.0736) USER MOD Single : A 104 LYS NZ :NH3+ -151:sc= 1.26 (180deg=0.638) USER MOD Single : A 105 ASN : amide:sc= 1.19 K(o=1.2,f=-1.8!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 1.565 11.473 9.114 1.00 0.00 N ATOM 2 CA GLN A 23 2.767 12.244 8.783 1.00 0.00 C ATOM 3 C GLN A 23 3.946 11.361 8.323 1.00 0.00 C ATOM 4 O GLN A 23 3.877 10.128 8.342 1.00 0.00 O ATOM 5 CB GLN A 23 3.146 13.157 9.970 1.00 0.00 C ATOM 6 CG GLN A 23 3.587 12.397 11.236 1.00 0.00 C ATOM 7 CD GLN A 23 3.927 13.353 12.379 1.00 0.00 C ATOM 8 OE1 GLN A 23 5.078 13.700 12.619 1.00 0.00 O ATOM 9 NE2 GLN A 23 2.949 13.831 13.123 1.00 0.00 N ATOM 0 HA GLN A 23 2.533 12.871 7.923 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.952 13.822 9.660 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.291 13.786 10.217 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.791 11.722 11.551 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.456 11.781 11.006 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.985 13.553 12.938 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.156 14.478 13.884 1.00 0.00 H new ATOM 18 N ILE A 24 5.049 12.002 7.923 1.00 0.00 N ATOM 19 CA ILE A 24 6.308 11.355 7.517 1.00 0.00 C ATOM 20 C ILE A 24 6.851 10.508 8.683 1.00 0.00 C ATOM 21 O ILE A 24 7.145 11.035 9.758 1.00 0.00 O ATOM 22 CB ILE A 24 7.324 12.437 7.080 1.00 0.00 C ATOM 23 CG1 ILE A 24 6.807 13.257 5.871 1.00 0.00 C ATOM 24 CG2 ILE A 24 8.694 11.826 6.725 1.00 0.00 C ATOM 25 CD1 ILE A 24 7.370 14.683 5.862 1.00 0.00 C ATOM 0 H ILE A 24 5.095 13.020 7.870 1.00 0.00 H new ATOM 0 HA ILE A 24 6.134 10.691 6.670 1.00 0.00 H new ATOM 0 HB ILE A 24 7.443 13.102 7.935 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.084 12.752 4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.718 13.297 5.899 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.379 12.619 6.423 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.098 11.309 7.595 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.575 11.118 5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.982 15.222 4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.071 15.198 6.775 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.458 14.644 5.807 1.00 0.00 H new ATOM 37 N ASN A 25 6.979 9.193 8.468 1.00 0.00 N ATOM 38 CA ASN A 25 7.464 8.239 9.477 1.00 0.00 C ATOM 39 C ASN A 25 8.953 7.911 9.300 1.00 0.00 C ATOM 40 O ASN A 25 9.770 8.181 10.182 1.00 0.00 O ATOM 41 CB ASN A 25 6.555 6.991 9.491 1.00 0.00 C ATOM 42 CG ASN A 25 5.400 7.119 10.475 1.00 0.00 C ATOM 43 OD1 ASN A 25 5.374 6.478 11.517 1.00 0.00 O ATOM 44 ND2 ASN A 25 4.412 7.944 10.204 1.00 0.00 N ATOM 0 H ASN A 25 6.746 8.754 7.577 1.00 0.00 H new ATOM 0 HA ASN A 25 7.400 8.703 10.461 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.158 6.824 8.490 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.151 6.115 9.748 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.636 8.044 10.859 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.421 8.484 9.339 1.00 0.00 H new ATOM 51 N GLN A 26 9.289 7.332 8.149 1.00 0.00 N ATOM 52 CA GLN A 26 10.632 6.873 7.789 1.00 0.00 C ATOM 53 C GLN A 26 10.883 6.902 6.274 1.00 0.00 C ATOM 54 O GLN A 26 10.055 6.433 5.492 1.00 0.00 O ATOM 55 CB GLN A 26 10.825 5.452 8.347 1.00 0.00 C ATOM 56 CG GLN A 26 9.805 4.394 7.867 1.00 0.00 C ATOM 57 CD GLN A 26 10.422 3.341 6.945 1.00 0.00 C ATOM 58 OE1 GLN A 26 10.832 2.265 7.365 1.00 0.00 O ATOM 59 NE2 GLN A 26 10.521 3.606 5.659 1.00 0.00 N ATOM 0 H GLN A 26 8.606 7.162 7.411 1.00 0.00 H new ATOM 0 HA GLN A 26 11.359 7.557 8.226 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.826 5.111 8.081 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.784 5.501 9.435 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.369 3.898 8.734 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.991 4.894 7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.184 4.497 5.295 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.934 2.920 5.027 1.00 0.00 H new ATOM 68 N VAL A 27 12.048 7.401 5.857 1.00 0.00 N ATOM 69 CA VAL A 27 12.567 7.342 4.474 1.00 0.00 C ATOM 70 C VAL A 27 14.072 7.637 4.444 1.00 0.00 C ATOM 71 O VAL A 27 14.617 8.214 5.387 1.00 0.00 O ATOM 72 CB VAL A 27 11.807 8.346 3.573 1.00 0.00 C ATOM 73 CG1 VAL A 27 12.041 9.795 4.008 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.121 8.196 2.076 1.00 0.00 C ATOM 0 H VAL A 27 12.687 7.878 6.493 1.00 0.00 H new ATOM 0 HA VAL A 27 12.408 6.334 4.092 1.00 0.00 H new ATOM 0 HB VAL A 27 10.754 8.097 3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.490 10.466 3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.695 9.928 5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.105 10.024 3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.552 8.933 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.187 8.355 1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.848 7.194 1.746 1.00 0.00 H new ATOM 84 N ARG A 28 14.743 7.310 3.336 1.00 0.00 N ATOM 85 CA ARG A 28 16.114 7.730 3.048 1.00 0.00 C ATOM 86 C ARG A 28 16.248 7.929 1.523 1.00 0.00 C ATOM 87 O ARG A 28 16.127 6.942 0.794 1.00 0.00 O ATOM 88 CB ARG A 28 17.093 6.615 3.514 1.00 0.00 C ATOM 89 CG ARG A 28 17.137 6.234 5.009 1.00 0.00 C ATOM 90 CD ARG A 28 17.962 7.170 5.902 1.00 0.00 C ATOM 91 NE ARG A 28 17.535 8.576 5.780 1.00 0.00 N ATOM 92 CZ ARG A 28 18.286 9.592 5.393 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.564 9.508 5.176 1.00 0.00 N ATOM 94 NH2 ARG A 28 17.788 10.763 5.158 1.00 0.00 N ATOM 0 H ARG A 28 14.338 6.733 2.599 1.00 0.00 H new ATOM 0 HA ARG A 28 16.349 8.658 3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.855 5.712 2.951 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.099 6.917 3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.116 6.203 5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.541 5.225 5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.870 6.853 6.941 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.016 7.088 5.636 1.00 0.00 H new ATOM 0 HE ARG A 28 16.565 8.785 6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.045 8.618 5.303 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.086 10.332 4.878 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.787 10.923 5.270 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.397 11.526 4.861 1.00 0.00 H new ATOM 108 N PRO A 29 16.420 9.163 1.014 1.00 0.00 N ATOM 109 CA PRO A 29 16.643 9.429 -0.410 1.00 0.00 C ATOM 110 C PRO A 29 18.142 9.353 -0.778 1.00 0.00 C ATOM 111 O PRO A 29 19.005 9.185 0.088 1.00 0.00 O ATOM 112 CB PRO A 29 16.034 10.819 -0.618 1.00 0.00 C ATOM 113 CG PRO A 29 16.410 11.531 0.677 1.00 0.00 C ATOM 114 CD PRO A 29 16.290 10.429 1.730 1.00 0.00 C ATOM 0 HA PRO A 29 16.183 8.688 -1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.449 11.319 -1.493 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.954 10.774 -0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.420 11.938 0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.739 12.364 0.888 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.067 10.529 2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.332 10.487 2.246 1.00 0.00 H new ATOM 122 N LYS A 30 18.453 9.520 -2.072 1.00 0.00 N ATOM 123 CA LYS A 30 19.824 9.626 -2.617 1.00 0.00 C ATOM 124 C LYS A 30 20.113 11.065 -3.048 1.00 0.00 C ATOM 125 O LYS A 30 19.207 11.757 -3.500 1.00 0.00 O ATOM 126 CB LYS A 30 19.982 8.578 -3.728 1.00 0.00 C ATOM 127 CG LYS A 30 21.393 8.484 -4.331 1.00 0.00 C ATOM 128 CD LYS A 30 21.642 7.204 -5.146 1.00 0.00 C ATOM 129 CE LYS A 30 21.772 5.971 -4.236 1.00 0.00 C ATOM 130 NZ LYS A 30 21.983 4.722 -5.022 1.00 0.00 N ATOM 0 H LYS A 30 17.737 9.588 -2.795 1.00 0.00 H new ATOM 0 HA LYS A 30 20.578 9.405 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.707 7.602 -3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.276 8.806 -4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.561 9.349 -4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.125 8.538 -3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.822 7.054 -5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.551 7.319 -5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.606 6.113 -3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.872 5.871 -3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.267 3.953 -4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.099 4.462 -5.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.730 4.878 -5.728 1.00 0.00 H new ATOM 144 N LEU A 31 21.363 11.513 -2.942 1.00 0.00 N ATOM 145 CA LEU A 31 21.760 12.927 -3.085 1.00 0.00 C ATOM 146 C LEU A 31 21.277 13.643 -4.367 1.00 0.00 C ATOM 147 O LEU A 31 20.566 14.640 -4.240 1.00 0.00 O ATOM 148 CB LEU A 31 23.279 13.024 -2.816 1.00 0.00 C ATOM 149 CG LEU A 31 23.911 14.425 -2.717 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.112 15.125 -4.063 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.141 15.365 -1.787 1.00 0.00 C ATOM 0 H LEU A 31 22.151 10.895 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 31 21.222 13.507 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.487 12.498 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.793 12.482 -3.609 1.00 0.00 H new ATOM 0 HG LEU A 31 24.895 14.221 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.562 16.105 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 31 24.769 14.524 -4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.148 15.246 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.636 16.336 -1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.122 15.487 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.115 14.942 -0.783 1.00 0.00 H new ATOM 163 N PRO A 32 21.558 13.165 -5.594 1.00 0.00 N ATOM 164 CA PRO A 32 21.069 13.806 -6.822 1.00 0.00 C ATOM 165 C PRO A 32 19.540 13.770 -7.013 1.00 0.00 C ATOM 166 O PRO A 32 19.035 14.470 -7.888 1.00 0.00 O ATOM 167 CB PRO A 32 21.817 13.107 -7.964 1.00 0.00 C ATOM 168 CG PRO A 32 22.151 11.734 -7.382 1.00 0.00 C ATOM 169 CD PRO A 32 22.477 12.089 -5.938 1.00 0.00 C ATOM 0 HA PRO A 32 21.270 14.877 -6.784 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.199 13.025 -8.858 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.717 13.653 -8.248 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.312 11.042 -7.455 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.995 11.267 -7.890 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.342 11.230 -5.281 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.514 12.409 -5.835 1.00 0.00 H new ATOM 177 N LEU A 33 18.793 13.016 -6.190 1.00 0.00 N ATOM 178 CA LEU A 33 17.323 13.029 -6.141 1.00 0.00 C ATOM 179 C LEU A 33 16.834 13.973 -5.031 1.00 0.00 C ATOM 180 O LEU A 33 15.968 14.807 -5.279 1.00 0.00 O ATOM 181 CB LEU A 33 16.822 11.572 -6.032 1.00 0.00 C ATOM 182 CG LEU A 33 15.309 11.303 -6.171 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.514 11.663 -4.918 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.675 12.023 -7.359 1.00 0.00 C ATOM 0 H LEU A 33 19.206 12.364 -5.523 1.00 0.00 H new ATOM 0 HA LEU A 33 16.893 13.436 -7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.335 10.987 -6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.141 11.183 -5.065 1.00 0.00 H new ATOM 0 HG LEU A 33 15.254 10.226 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.458 11.449 -5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.876 11.074 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.640 12.723 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.611 11.791 -7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.808 13.099 -7.246 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.153 11.694 -8.281 1.00 0.00 H new ATOM 196 N LEU A 34 17.446 13.929 -3.841 1.00 0.00 N ATOM 197 CA LEU A 34 17.261 14.910 -2.759 1.00 0.00 C ATOM 198 C LEU A 34 17.385 16.350 -3.285 1.00 0.00 C ATOM 199 O LEU A 34 16.553 17.198 -2.978 1.00 0.00 O ATOM 200 CB LEU A 34 18.306 14.625 -1.672 1.00 0.00 C ATOM 201 CG LEU A 34 18.279 15.558 -0.449 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.059 16.857 -0.644 1.00 0.00 C ATOM 203 CD2 LEU A 34 16.870 15.866 0.045 1.00 0.00 C ATOM 0 H LEU A 34 18.103 13.189 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 34 16.258 14.815 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.171 13.600 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.296 14.680 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 34 18.790 14.983 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.992 17.461 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 34 20.104 16.626 -0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.638 17.412 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 34 16.924 16.529 0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.304 16.351 -0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 34 16.373 14.938 0.330 1.00 0.00 H new ATOM 215 N LYS A 35 18.381 16.633 -4.129 1.00 0.00 N ATOM 216 CA LYS A 35 18.550 17.958 -4.754 1.00 0.00 C ATOM 217 C LYS A 35 17.352 18.381 -5.618 1.00 0.00 C ATOM 218 O LYS A 35 16.996 19.557 -5.592 1.00 0.00 O ATOM 219 CB LYS A 35 19.879 17.997 -5.528 1.00 0.00 C ATOM 220 CG LYS A 35 21.139 18.026 -4.637 1.00 0.00 C ATOM 221 CD LYS A 35 21.394 19.355 -3.894 1.00 0.00 C ATOM 222 CE LYS A 35 20.747 19.433 -2.499 1.00 0.00 C ATOM 223 NZ LYS A 35 20.995 20.748 -1.842 1.00 0.00 N ATOM 0 H LYS A 35 19.094 15.956 -4.401 1.00 0.00 H new ATOM 0 HA LYS A 35 18.588 18.701 -3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.931 17.125 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.884 18.877 -6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.061 17.227 -3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 35 22.007 17.804 -5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.469 19.501 -3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.018 20.177 -4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.673 19.269 -2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.141 18.634 -1.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.226 20.952 -1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.900 20.715 -1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.033 21.495 -2.564 1.00 0.00 H new ATOM 237 N ILE A 36 16.655 17.444 -6.273 1.00 0.00 N ATOM 238 CA ILE A 36 15.369 17.721 -6.945 1.00 0.00 C ATOM 239 C ILE A 36 14.306 18.099 -5.910 1.00 0.00 C ATOM 240 O ILE A 36 13.554 19.042 -6.121 1.00 0.00 O ATOM 241 CB ILE A 36 14.873 16.534 -7.799 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.964 15.939 -8.707 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.669 16.960 -8.657 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.777 16.937 -9.537 1.00 0.00 C ATOM 0 H ILE A 36 16.961 16.474 -6.355 1.00 0.00 H new ATOM 0 HA ILE A 36 15.540 18.556 -7.625 1.00 0.00 H new ATOM 0 HB ILE A 36 14.580 15.754 -7.096 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.654 15.370 -8.084 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.493 15.231 -9.389 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.330 16.113 -9.254 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.860 17.294 -8.008 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.964 17.775 -9.318 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.513 16.399 -10.135 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.109 17.491 -10.196 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.289 17.632 -8.871 1.00 0.00 H new ATOM 256 N LEU A 37 14.274 17.409 -4.766 1.00 0.00 N ATOM 257 CA LEU A 37 13.299 17.641 -3.694 1.00 0.00 C ATOM 258 C LEU A 37 13.484 19.007 -3.017 1.00 0.00 C ATOM 259 O LEU A 37 12.520 19.760 -2.883 1.00 0.00 O ATOM 260 CB LEU A 37 13.278 16.439 -2.727 1.00 0.00 C ATOM 261 CG LEU A 37 12.896 15.115 -3.423 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.033 13.933 -2.473 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.464 15.119 -3.943 1.00 0.00 C ATOM 0 H LEU A 37 14.935 16.661 -4.555 1.00 0.00 H new ATOM 0 HA LEU A 37 12.302 17.703 -4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.260 16.332 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.570 16.638 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 37 13.585 15.019 -4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.757 13.015 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.065 13.860 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.375 14.077 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.249 14.164 -4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.775 15.271 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.342 15.925 -4.667 1.00 0.00 H new ATOM 275 N HIS A 38 14.722 19.395 -2.693 1.00 0.00 N ATOM 276 CA HIS A 38 15.038 20.756 -2.231 1.00 0.00 C ATOM 277 C HIS A 38 14.663 21.802 -3.303 1.00 0.00 C ATOM 278 O HIS A 38 13.988 22.784 -2.995 1.00 0.00 O ATOM 279 CB HIS A 38 16.543 20.884 -1.938 1.00 0.00 C ATOM 280 CG HIS A 38 17.039 20.273 -0.652 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.293 20.537 -0.093 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.370 19.398 0.155 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.347 19.827 1.045 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.212 19.126 1.213 1.00 0.00 N ATOM 0 H HIS A 38 15.533 18.778 -2.742 1.00 0.00 H new ATOM 0 HA HIS A 38 14.461 20.938 -1.324 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.090 20.429 -2.764 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.799 21.943 -1.932 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.379 18.999 -0.004 1.00 0.00 H new ATOM 0 HE1 HIS A 38 19.183 19.820 1.728 1.00 0.00 H new ATOM 0 HE2 HIS A 38 17.008 18.499 1.991 1.00 0.00 H new ATOM 292 N ALA A 39 15.046 21.586 -4.572 1.00 0.00 N ATOM 293 CA ALA A 39 14.764 22.516 -5.675 1.00 0.00 C ATOM 294 C ALA A 39 13.256 22.662 -5.978 1.00 0.00 C ATOM 295 O ALA A 39 12.797 23.745 -6.346 1.00 0.00 O ATOM 296 CB ALA A 39 15.539 22.058 -6.915 1.00 0.00 C ATOM 0 H ALA A 39 15.563 20.756 -4.862 1.00 0.00 H new ATOM 0 HA ALA A 39 15.094 23.510 -5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.339 22.740 -7.742 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.607 22.056 -6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.223 21.052 -7.190 1.00 0.00 H new ATOM 302 N ALA A 40 12.473 21.602 -5.749 1.00 0.00 N ATOM 303 CA ALA A 40 11.006 21.609 -5.781 1.00 0.00 C ATOM 304 C ALA A 40 10.344 22.389 -4.622 1.00 0.00 C ATOM 305 O ALA A 40 9.115 22.495 -4.590 1.00 0.00 O ATOM 306 CB ALA A 40 10.516 20.158 -5.800 1.00 0.00 C ATOM 0 H ALA A 40 12.857 20.683 -5.528 1.00 0.00 H new ATOM 0 HA ALA A 40 10.707 22.141 -6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.426 20.142 -5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.906 19.654 -6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.867 19.644 -4.905 1.00 0.00 H new ATOM 312 N GLY A 41 11.134 22.920 -3.681 1.00 0.00 N ATOM 313 CA GLY A 41 10.695 23.791 -2.583 1.00 0.00 C ATOM 314 C GLY A 41 10.995 23.256 -1.176 1.00 0.00 C ATOM 315 O GLY A 41 10.686 23.939 -0.196 1.00 0.00 O ATOM 0 H GLY A 41 12.139 22.747 -3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.174 24.764 -2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.621 23.952 -2.673 1.00 0.00 H new ATOM 319 N ALA A 42 11.576 22.055 -1.053 1.00 0.00 N ATOM 320 CA ALA A 42 11.843 21.412 0.233 1.00 0.00 C ATOM 321 C ALA A 42 13.197 21.807 0.877 1.00 0.00 C ATOM 322 O ALA A 42 13.906 22.715 0.437 1.00 0.00 O ATOM 323 CB ALA A 42 11.663 19.894 0.064 1.00 0.00 C ATOM 0 H ALA A 42 11.876 21.500 -1.854 1.00 0.00 H new ATOM 0 HA ALA A 42 11.118 21.782 0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.858 19.396 1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.642 19.682 -0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.361 19.526 -0.688 1.00 0.00 H new ATOM 329 N GLN A 43 13.518 21.093 1.955 1.00 0.00 N ATOM 330 CA GLN A 43 14.664 21.225 2.872 1.00 0.00 C ATOM 331 C GLN A 43 14.640 20.040 3.870 1.00 0.00 C ATOM 332 O GLN A 43 13.570 19.683 4.368 1.00 0.00 O ATOM 333 CB GLN A 43 14.568 22.562 3.638 1.00 0.00 C ATOM 334 CG GLN A 43 15.794 22.844 4.522 1.00 0.00 C ATOM 335 CD GLN A 43 15.700 24.209 5.204 1.00 0.00 C ATOM 336 OE1 GLN A 43 15.302 24.334 6.356 1.00 0.00 O ATOM 337 NE2 GLN A 43 16.048 25.286 4.528 1.00 0.00 N ATOM 0 H GLN A 43 12.918 20.320 2.244 1.00 0.00 H new ATOM 0 HA GLN A 43 15.596 21.212 2.307 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.450 23.375 2.922 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.674 22.553 4.261 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.883 22.065 5.279 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.698 22.803 3.914 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.382 25.200 3.568 1.00 0.00 H new ATOM 0 HE22 GLN A 43 15.984 26.205 4.965 1.00 0.00 H new ATOM 346 N GLY A 44 15.803 19.447 4.180 1.00 0.00 N ATOM 347 CA GLY A 44 15.946 18.257 5.039 1.00 0.00 C ATOM 348 C GLY A 44 15.521 16.959 4.336 1.00 0.00 C ATOM 349 O GLY A 44 14.376 16.814 3.928 1.00 0.00 O ATOM 0 H GLY A 44 16.697 19.791 3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.984 18.168 5.359 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.346 18.390 5.939 1.00 0.00 H new ATOM 353 N GLU A 45 16.439 16.001 4.177 1.00 0.00 N ATOM 354 CA GLU A 45 16.299 14.786 3.356 1.00 0.00 C ATOM 355 C GLU A 45 15.440 13.666 3.974 1.00 0.00 C ATOM 356 O GLU A 45 15.835 12.500 4.022 1.00 0.00 O ATOM 357 CB GLU A 45 17.702 14.336 2.913 1.00 0.00 C ATOM 358 CG GLU A 45 18.645 14.020 4.085 1.00 0.00 C ATOM 359 CD GLU A 45 19.881 13.221 3.642 1.00 0.00 C ATOM 360 OE1 GLU A 45 20.734 13.756 2.893 1.00 0.00 O ATOM 361 OE2 GLU A 45 20.003 12.047 4.073 1.00 0.00 O ATOM 0 H GLU A 45 17.347 16.051 4.639 1.00 0.00 H new ATOM 0 HA GLU A 45 15.709 15.041 2.476 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.609 13.451 2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.148 15.118 2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.966 14.952 4.551 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.102 13.455 4.843 1.00 0.00 H new ATOM 368 N MET A 46 14.250 14.016 4.457 1.00 0.00 N ATOM 369 CA MET A 46 13.319 13.096 5.119 1.00 0.00 C ATOM 370 C MET A 46 11.862 13.437 4.719 1.00 0.00 C ATOM 371 O MET A 46 11.193 14.266 5.337 1.00 0.00 O ATOM 372 CB MET A 46 13.549 13.222 6.634 1.00 0.00 C ATOM 373 CG MET A 46 12.588 12.446 7.552 1.00 0.00 C ATOM 374 SD MET A 46 12.522 10.642 7.372 1.00 0.00 S ATOM 375 CE MET A 46 14.207 10.203 7.876 1.00 0.00 C ATOM 0 H MET A 46 13.895 14.970 4.399 1.00 0.00 H new ATOM 0 HA MET A 46 13.493 12.064 4.813 1.00 0.00 H new ATOM 0 HB2 MET A 46 14.565 12.893 6.851 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.492 14.278 6.899 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.856 12.670 8.584 1.00 0.00 H new ATOM 0 HG3 MET A 46 11.583 12.836 7.392 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.301 9.118 7.924 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.918 10.597 7.150 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.416 10.629 8.857 1.00 0.00 H new ATOM 385 N PHE A 47 11.388 12.795 3.652 1.00 0.00 N ATOM 386 CA PHE A 47 10.014 12.846 3.100 1.00 0.00 C ATOM 387 C PHE A 47 9.632 11.514 2.421 1.00 0.00 C ATOM 388 O PHE A 47 10.409 10.981 1.635 1.00 0.00 O ATOM 389 CB PHE A 47 9.844 14.018 2.104 1.00 0.00 C ATOM 390 CG PHE A 47 11.107 14.738 1.680 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.142 14.025 1.046 1.00 0.00 C ATOM 392 CD2 PHE A 47 11.267 16.106 1.960 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.350 14.666 0.738 1.00 0.00 C ATOM 394 CE2 PHE A 47 12.460 16.755 1.609 1.00 0.00 C ATOM 395 CZ PHE A 47 13.500 16.039 0.996 1.00 0.00 C ATOM 0 H PHE A 47 11.988 12.179 3.104 1.00 0.00 H new ATOM 0 HA PHE A 47 9.340 13.012 3.941 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.353 13.636 1.209 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.169 14.749 2.550 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.005 12.983 0.797 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.474 16.656 2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.164 14.105 0.303 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.579 17.809 1.811 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.415 16.543 0.723 1.00 0.00 H new ATOM 405 N THR A 48 8.446 10.972 2.710 1.00 0.00 N ATOM 406 CA THR A 48 7.959 9.641 2.255 1.00 0.00 C ATOM 407 C THR A 48 7.527 9.655 0.781 1.00 0.00 C ATOM 408 O THR A 48 7.442 10.720 0.182 1.00 0.00 O ATOM 409 CB THR A 48 6.818 9.153 3.181 1.00 0.00 C ATOM 410 OG1 THR A 48 6.055 10.255 3.627 1.00 0.00 O ATOM 411 CG2 THR A 48 7.374 8.452 4.423 1.00 0.00 C ATOM 0 H THR A 48 7.762 11.458 3.290 1.00 0.00 H new ATOM 0 HA THR A 48 8.787 8.936 2.322 1.00 0.00 H new ATOM 0 HB THR A 48 6.208 8.458 2.604 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.334 9.939 4.211 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.549 8.121 5.054 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.967 7.590 4.119 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.002 9.146 4.982 1.00 0.00 H new ATOM 419 N VAL A 49 7.224 8.505 0.151 1.00 0.00 N ATOM 420 CA VAL A 49 6.935 8.445 -1.311 1.00 0.00 C ATOM 421 C VAL A 49 5.776 9.357 -1.733 1.00 0.00 C ATOM 422 O VAL A 49 5.833 9.989 -2.785 1.00 0.00 O ATOM 423 CB VAL A 49 6.727 6.992 -1.788 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.495 6.304 -1.188 1.00 0.00 C ATOM 425 CG2 VAL A 49 6.673 6.875 -3.314 1.00 0.00 C ATOM 0 H VAL A 49 7.171 7.602 0.622 1.00 0.00 H new ATOM 0 HA VAL A 49 7.820 8.835 -1.814 1.00 0.00 H new ATOM 0 HB VAL A 49 7.609 6.470 -1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.422 5.287 -1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.588 6.274 -0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.599 6.861 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.525 5.832 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.846 7.474 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.609 7.236 -3.740 1.00 0.00 H new ATOM 435 N LYS A 50 4.780 9.511 -0.856 1.00 0.00 N ATOM 436 CA LYS A 50 3.650 10.447 -1.000 1.00 0.00 C ATOM 437 C LYS A 50 4.112 11.904 -1.165 1.00 0.00 C ATOM 438 O LYS A 50 3.613 12.630 -2.022 1.00 0.00 O ATOM 439 CB LYS A 50 2.754 10.308 0.243 1.00 0.00 C ATOM 440 CG LYS A 50 2.097 8.919 0.356 1.00 0.00 C ATOM 441 CD LYS A 50 1.262 8.749 1.635 1.00 0.00 C ATOM 442 CE LYS A 50 2.122 8.781 2.912 1.00 0.00 C ATOM 443 NZ LYS A 50 1.306 8.479 4.122 1.00 0.00 N ATOM 0 H LYS A 50 4.732 8.970 0.007 1.00 0.00 H new ATOM 0 HA LYS A 50 3.100 10.194 -1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.349 10.497 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.976 11.071 0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.459 8.754 -0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.873 8.154 0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.515 9.541 1.685 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.722 7.803 1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.931 8.056 2.826 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.584 9.763 3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.913 8.508 4.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.549 9.186 4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.886 7.532 4.030 1.00 0.00 H new ATOM 457 N GLU A 51 5.115 12.303 -0.382 1.00 0.00 N ATOM 458 CA GLU A 51 5.763 13.619 -0.438 1.00 0.00 C ATOM 459 C GLU A 51 6.710 13.728 -1.640 1.00 0.00 C ATOM 460 O GLU A 51 6.637 14.696 -2.391 1.00 0.00 O ATOM 461 CB GLU A 51 6.526 13.864 0.876 1.00 0.00 C ATOM 462 CG GLU A 51 5.639 13.913 2.126 1.00 0.00 C ATOM 463 CD GLU A 51 4.592 15.042 2.057 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.945 16.220 2.305 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.405 14.760 1.761 1.00 0.00 O ATOM 0 H GLU A 51 5.515 11.698 0.336 1.00 0.00 H new ATOM 0 HA GLU A 51 4.994 14.382 -0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.268 13.076 1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.071 14.805 0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.131 12.956 2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.265 14.054 3.007 1.00 0.00 H new ATOM 472 N VAL A 52 7.554 12.715 -1.872 1.00 0.00 N ATOM 473 CA VAL A 52 8.498 12.658 -3.005 1.00 0.00 C ATOM 474 C VAL A 52 7.772 12.823 -4.342 1.00 0.00 C ATOM 475 O VAL A 52 8.187 13.639 -5.161 1.00 0.00 O ATOM 476 CB VAL A 52 9.308 11.344 -2.981 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.179 11.129 -4.226 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.232 11.305 -1.758 1.00 0.00 C ATOM 0 H VAL A 52 7.604 11.894 -1.268 1.00 0.00 H new ATOM 0 HA VAL A 52 9.194 13.490 -2.898 1.00 0.00 H new ATOM 0 HB VAL A 52 8.561 10.551 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.717 10.185 -4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.546 11.102 -5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.894 11.947 -4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.795 10.372 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.924 12.146 -1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.635 11.369 -0.848 1.00 0.00 H new ATOM 488 N MET A 53 6.665 12.108 -4.563 1.00 0.00 N ATOM 489 CA MET A 53 5.902 12.211 -5.811 1.00 0.00 C ATOM 490 C MET A 53 5.183 13.555 -5.945 1.00 0.00 C ATOM 491 O MET A 53 5.196 14.129 -7.029 1.00 0.00 O ATOM 492 CB MET A 53 4.906 11.049 -5.933 1.00 0.00 C ATOM 493 CG MET A 53 5.616 9.703 -6.108 1.00 0.00 C ATOM 494 SD MET A 53 6.794 9.594 -7.488 1.00 0.00 S ATOM 495 CE MET A 53 5.696 9.715 -8.923 1.00 0.00 C ATOM 0 H MET A 53 6.275 11.448 -3.890 1.00 0.00 H new ATOM 0 HA MET A 53 6.618 12.150 -6.630 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.278 11.015 -5.043 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.246 11.224 -6.783 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.147 9.473 -5.184 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.859 8.930 -6.241 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.262 10.068 -9.785 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.274 8.734 -9.142 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.890 10.416 -8.706 1.00 0.00 H new ATOM 505 N HIS A 54 4.632 14.106 -4.859 1.00 0.00 N ATOM 506 CA HIS A 54 4.099 15.481 -4.837 1.00 0.00 C ATOM 507 C HIS A 54 5.150 16.501 -5.286 1.00 0.00 C ATOM 508 O HIS A 54 4.929 17.211 -6.267 1.00 0.00 O ATOM 509 CB HIS A 54 3.546 15.809 -3.443 1.00 0.00 C ATOM 510 CG HIS A 54 3.168 17.261 -3.284 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.095 17.896 -3.916 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.871 18.184 -2.564 1.00 0.00 C ATOM 513 CE1 HIS A 54 2.176 19.190 -3.560 1.00 0.00 C ATOM 514 NE2 HIS A 54 3.226 19.388 -2.744 1.00 0.00 N ATOM 0 H HIS A 54 4.541 13.616 -3.969 1.00 0.00 H new ATOM 0 HA HIS A 54 3.279 15.544 -5.553 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.671 15.189 -3.250 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.292 15.549 -2.692 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.756 18.006 -1.972 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.494 19.962 -3.884 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.499 20.279 -2.329 1.00 0.00 H new ATOM 522 N TYR A 55 6.319 16.506 -4.643 1.00 0.00 N ATOM 523 CA TYR A 55 7.470 17.323 -5.031 1.00 0.00 C ATOM 524 C TYR A 55 7.905 17.088 -6.487 1.00 0.00 C ATOM 525 O TYR A 55 8.171 18.061 -7.183 1.00 0.00 O ATOM 526 CB TYR A 55 8.631 17.107 -4.050 1.00 0.00 C ATOM 527 CG TYR A 55 8.465 17.799 -2.704 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.313 19.201 -2.646 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.485 17.054 -1.507 1.00 0.00 C ATOM 530 CE1 TYR A 55 8.146 19.850 -1.407 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.328 17.698 -0.265 1.00 0.00 C ATOM 532 CZ TYR A 55 8.150 19.098 -0.211 1.00 0.00 C ATOM 533 OH TYR A 55 7.998 19.714 0.995 1.00 0.00 O ATOM 0 H TYR A 55 6.496 15.930 -3.820 1.00 0.00 H new ATOM 0 HA TYR A 55 7.160 18.367 -4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.751 16.037 -3.881 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.551 17.461 -4.514 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.325 19.780 -3.558 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.622 15.983 -1.543 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.015 20.921 -1.371 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.344 17.121 0.648 1.00 0.00 H new ATOM 0 HH TYR A 55 8.024 19.044 1.710 1.00 0.00 H new ATOM 543 N LEU A 56 7.912 15.847 -6.990 1.00 0.00 N ATOM 544 CA LEU A 56 8.270 15.534 -8.381 1.00 0.00 C ATOM 545 C LEU A 56 7.248 16.088 -9.385 1.00 0.00 C ATOM 546 O LEU A 56 7.633 16.741 -10.353 1.00 0.00 O ATOM 547 CB LEU A 56 8.433 14.008 -8.546 1.00 0.00 C ATOM 548 CG LEU A 56 9.763 13.454 -8.004 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.720 11.927 -7.967 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.936 13.846 -8.895 1.00 0.00 C ATOM 0 H LEU A 56 7.667 15.024 -6.439 1.00 0.00 H new ATOM 0 HA LEU A 56 9.219 16.024 -8.600 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.609 13.509 -8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.352 13.757 -9.604 1.00 0.00 H new ATOM 0 HG LEU A 56 9.897 13.872 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.666 11.546 -7.582 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.907 11.602 -7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.557 11.543 -8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.859 13.438 -8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.780 13.448 -9.898 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.009 14.932 -8.943 1.00 0.00 H new ATOM 562 N GLY A 57 5.953 15.889 -9.138 1.00 0.00 N ATOM 563 CA GLY A 57 4.883 16.418 -9.985 1.00 0.00 C ATOM 564 C GLY A 57 4.886 17.946 -10.007 1.00 0.00 C ATOM 565 O GLY A 57 4.910 18.556 -11.080 1.00 0.00 O ATOM 0 H GLY A 57 5.614 15.353 -8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.001 16.039 -11.000 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.920 16.061 -9.621 1.00 0.00 H new ATOM 569 N GLN A 58 4.982 18.581 -8.831 1.00 0.00 N ATOM 570 CA GLN A 58 5.023 20.042 -8.756 1.00 0.00 C ATOM 571 C GLN A 58 6.328 20.621 -9.331 1.00 0.00 C ATOM 572 O GLN A 58 6.281 21.669 -9.963 1.00 0.00 O ATOM 573 CB GLN A 58 4.631 20.565 -7.360 1.00 0.00 C ATOM 574 CG GLN A 58 5.687 20.521 -6.248 1.00 0.00 C ATOM 575 CD GLN A 58 5.315 21.426 -5.065 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.155 21.629 -4.728 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.268 22.024 -4.381 1.00 0.00 N ATOM 0 H GLN A 58 5.032 18.109 -7.928 1.00 0.00 H new ATOM 0 HA GLN A 58 4.247 20.430 -9.416 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.307 21.600 -7.471 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.766 19.994 -7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.802 19.495 -5.898 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.651 20.830 -6.651 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.245 21.878 -4.633 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.029 22.633 -3.599 1.00 0.00 H new ATOM 586 N TYR A 59 7.466 19.921 -9.232 1.00 0.00 N ATOM 587 CA TYR A 59 8.713 20.283 -9.923 1.00 0.00 C ATOM 588 C TYR A 59 8.554 20.251 -11.447 1.00 0.00 C ATOM 589 O TYR A 59 8.926 21.212 -12.114 1.00 0.00 O ATOM 590 CB TYR A 59 9.835 19.342 -9.475 1.00 0.00 C ATOM 591 CG TYR A 59 11.199 19.595 -10.088 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.113 20.461 -9.456 1.00 0.00 C ATOM 593 CD2 TYR A 59 11.571 18.925 -11.269 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.400 20.649 -9.996 1.00 0.00 C ATOM 595 CE2 TYR A 59 12.856 19.113 -11.812 1.00 0.00 C ATOM 596 CZ TYR A 59 13.778 19.970 -11.174 1.00 0.00 C ATOM 597 OH TYR A 59 15.016 20.166 -11.697 1.00 0.00 O ATOM 0 H TYR A 59 7.549 19.078 -8.664 1.00 0.00 H new ATOM 0 HA TYR A 59 8.967 21.308 -9.653 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.928 19.409 -8.391 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.539 18.319 -9.707 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.826 20.982 -8.555 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.870 18.266 -11.759 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.098 21.313 -9.508 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.137 18.600 -12.720 1.00 0.00 H new ATOM 0 HH TYR A 59 15.165 19.533 -12.430 1.00 0.00 H new ATOM 607 N ILE A 60 7.935 19.205 -12.005 1.00 0.00 N ATOM 608 CA ILE A 60 7.643 19.106 -13.447 1.00 0.00 C ATOM 609 C ILE A 60 6.754 20.284 -13.890 1.00 0.00 C ATOM 610 O ILE A 60 7.075 20.954 -14.878 1.00 0.00 O ATOM 611 CB ILE A 60 7.069 17.698 -13.764 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.177 16.630 -13.589 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.480 17.561 -15.182 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.647 15.193 -13.499 1.00 0.00 C ATOM 0 H ILE A 60 7.619 18.396 -11.469 1.00 0.00 H new ATOM 0 HA ILE A 60 8.554 19.197 -14.039 1.00 0.00 H new ATOM 0 HB ILE A 60 6.249 17.549 -13.061 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.870 16.699 -14.427 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.745 16.855 -12.686 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.101 16.549 -15.322 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.665 18.274 -15.308 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.257 17.763 -15.920 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.483 14.504 -13.377 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.977 15.105 -12.644 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.104 14.948 -14.412 1.00 0.00 H new ATOM 626 N MET A 61 5.713 20.619 -13.117 1.00 0.00 N ATOM 627 CA MET A 61 4.860 21.792 -13.382 1.00 0.00 C ATOM 628 C MET A 61 5.601 23.138 -13.251 1.00 0.00 C ATOM 629 O MET A 61 5.366 24.040 -14.055 1.00 0.00 O ATOM 630 CB MET A 61 3.625 21.789 -12.464 1.00 0.00 C ATOM 631 CG MET A 61 2.676 20.594 -12.634 1.00 0.00 C ATOM 632 SD MET A 61 1.938 20.351 -14.276 1.00 0.00 S ATOM 633 CE MET A 61 3.167 19.253 -15.032 1.00 0.00 C ATOM 0 H MET A 61 5.436 20.088 -12.291 1.00 0.00 H new ATOM 0 HA MET A 61 4.550 21.701 -14.423 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.964 21.817 -11.428 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.062 22.705 -12.639 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.222 19.688 -12.371 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.867 20.699 -11.911 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.801 18.909 -15.999 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.103 19.794 -15.170 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.337 18.395 -14.382 1.00 0.00 H new ATOM 643 N VAL A 62 6.514 23.287 -12.281 1.00 0.00 N ATOM 644 CA VAL A 62 7.248 24.531 -12.002 1.00 0.00 C ATOM 645 C VAL A 62 8.358 24.783 -13.020 1.00 0.00 C ATOM 646 O VAL A 62 8.508 25.902 -13.515 1.00 0.00 O ATOM 647 CB VAL A 62 7.778 24.461 -10.553 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.990 25.336 -10.255 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.661 24.840 -9.575 1.00 0.00 C ATOM 0 H VAL A 62 6.770 22.526 -11.652 1.00 0.00 H new ATOM 0 HA VAL A 62 6.577 25.384 -12.098 1.00 0.00 H new ATOM 0 HB VAL A 62 8.108 23.430 -10.429 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.280 25.212 -9.212 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.818 25.042 -10.900 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.739 26.380 -10.440 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.039 24.789 -8.554 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.321 25.854 -9.786 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.828 24.147 -9.688 1.00 0.00 H new ATOM 659 N LYS A 63 9.108 23.733 -13.369 1.00 0.00 N ATOM 660 CA LYS A 63 10.169 23.767 -14.385 1.00 0.00 C ATOM 661 C LYS A 63 9.618 23.655 -15.819 1.00 0.00 C ATOM 662 O LYS A 63 10.333 24.000 -16.758 1.00 0.00 O ATOM 663 CB LYS A 63 11.201 22.667 -14.071 1.00 0.00 C ATOM 664 CG LYS A 63 11.886 22.753 -12.695 1.00 0.00 C ATOM 665 CD LYS A 63 12.742 24.005 -12.453 1.00 0.00 C ATOM 666 CE LYS A 63 13.902 24.201 -13.445 1.00 0.00 C ATOM 667 NZ LYS A 63 14.913 23.107 -13.386 1.00 0.00 N ATOM 0 H LYS A 63 8.993 22.813 -12.944 1.00 0.00 H new ATOM 0 HA LYS A 63 10.661 24.739 -14.342 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.705 21.699 -14.147 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.973 22.691 -14.840 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.117 22.707 -11.924 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.518 21.874 -12.569 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.096 24.882 -12.495 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.151 23.958 -11.444 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.501 24.263 -14.457 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.392 25.152 -13.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.866 23.509 -13.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.842 22.617 -12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.737 22.430 -14.156 1.00 0.00 H new ATOM 681 N GLN A 64 8.356 23.226 -15.993 1.00 0.00 N ATOM 682 CA GLN A 64 7.653 23.117 -17.286 1.00 0.00 C ATOM 683 C GLN A 64 8.227 22.016 -18.194 1.00 0.00 C ATOM 684 O GLN A 64 8.536 22.214 -19.370 1.00 0.00 O ATOM 685 CB GLN A 64 7.449 24.486 -17.964 1.00 0.00 C ATOM 686 CG GLN A 64 6.808 25.488 -16.993 1.00 0.00 C ATOM 687 CD GLN A 64 6.450 26.835 -17.626 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.691 27.115 -18.795 1.00 0.00 O ATOM 689 NE2 GLN A 64 5.854 27.736 -16.871 1.00 0.00 N ATOM 0 H GLN A 64 7.774 22.934 -15.208 1.00 0.00 H new ATOM 0 HA GLN A 64 6.643 22.770 -17.069 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.408 24.871 -18.310 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.816 24.370 -18.844 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.904 25.044 -16.575 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.492 25.660 -16.162 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.644 27.525 -15.895 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.603 28.644 -17.262 1.00 0.00 H new ATOM 698 N LEU A 65 8.347 20.825 -17.604 1.00 0.00 N ATOM 699 CA LEU A 65 8.897 19.597 -18.192 1.00 0.00 C ATOM 700 C LEU A 65 7.804 18.751 -18.872 1.00 0.00 C ATOM 701 O LEU A 65 7.827 17.530 -18.782 1.00 0.00 O ATOM 702 CB LEU A 65 9.628 18.829 -17.066 1.00 0.00 C ATOM 703 CG LEU A 65 11.058 19.272 -16.707 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.377 20.744 -16.898 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.346 18.862 -15.262 1.00 0.00 C ATOM 0 H LEU A 65 8.044 20.681 -16.641 1.00 0.00 H new ATOM 0 HA LEU A 65 9.604 19.839 -18.986 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.020 18.898 -16.164 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.664 17.776 -17.347 1.00 0.00 H new ATOM 0 HG LEU A 65 11.706 18.766 -17.423 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.412 20.932 -16.612 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.235 21.014 -17.944 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.714 21.344 -16.275 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.356 19.169 -14.991 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.630 19.345 -14.597 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.257 17.780 -15.166 1.00 0.00 H new ATOM 717 N TYR A 66 6.797 19.360 -19.494 1.00 0.00 N ATOM 718 CA TYR A 66 5.638 18.641 -20.047 1.00 0.00 C ATOM 719 C TYR A 66 5.018 19.359 -21.267 1.00 0.00 C ATOM 720 O TYR A 66 5.337 20.519 -21.543 1.00 0.00 O ATOM 721 CB TYR A 66 4.589 18.465 -18.930 1.00 0.00 C ATOM 722 CG TYR A 66 3.901 19.750 -18.485 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.570 20.675 -17.658 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.582 20.017 -18.900 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.931 21.869 -17.268 1.00 0.00 C ATOM 726 CE2 TYR A 66 1.938 21.208 -18.512 1.00 0.00 C ATOM 727 CZ TYR A 66 2.614 22.141 -17.695 1.00 0.00 C ATOM 728 OH TYR A 66 2.008 23.300 -17.313 1.00 0.00 O ATOM 0 H TYR A 66 6.756 20.370 -19.632 1.00 0.00 H new ATOM 0 HA TYR A 66 5.978 17.670 -20.406 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.829 17.764 -19.273 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.074 18.012 -18.065 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.575 20.468 -17.322 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.060 19.303 -19.520 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.451 22.578 -16.641 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.928 21.408 -18.839 1.00 0.00 H new ATOM 0 HH TYR A 66 1.105 23.337 -17.691 1.00 0.00 H new ATOM 738 N ASP A 67 4.119 18.685 -21.993 1.00 0.00 N ATOM 739 CA ASP A 67 3.347 19.276 -23.102 1.00 0.00 C ATOM 740 C ASP A 67 1.989 19.835 -22.637 1.00 0.00 C ATOM 741 O ASP A 67 1.268 19.182 -21.884 1.00 0.00 O ATOM 742 CB ASP A 67 3.137 18.234 -24.204 1.00 0.00 C ATOM 743 CG ASP A 67 2.516 18.871 -25.454 1.00 0.00 C ATOM 744 OD1 ASP A 67 1.274 19.014 -25.493 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.274 19.266 -26.373 1.00 0.00 O ATOM 0 H ASP A 67 3.901 17.702 -21.828 1.00 0.00 H new ATOM 0 HA ASP A 67 3.925 20.114 -23.492 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.091 17.775 -24.462 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.489 17.438 -23.837 1.00 0.00 H new ATOM 750 N GLN A 68 1.599 21.023 -23.115 1.00 0.00 N ATOM 751 CA GLN A 68 0.377 21.700 -22.670 1.00 0.00 C ATOM 752 C GLN A 68 -0.946 21.041 -23.109 1.00 0.00 C ATOM 753 O GLN A 68 -1.978 21.289 -22.482 1.00 0.00 O ATOM 754 CB GLN A 68 0.450 23.181 -23.076 1.00 0.00 C ATOM 755 CG GLN A 68 0.288 23.432 -24.589 1.00 0.00 C ATOM 756 CD GLN A 68 0.373 24.911 -24.982 1.00 0.00 C ATOM 757 OE1 GLN A 68 0.563 25.813 -24.174 1.00 0.00 O ATOM 758 NE2 GLN A 68 0.233 25.225 -26.254 1.00 0.00 N ATOM 0 H GLN A 68 2.122 21.541 -23.821 1.00 0.00 H new ATOM 0 HA GLN A 68 0.348 21.606 -21.584 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.326 23.731 -22.543 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.408 23.588 -22.752 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.059 22.878 -25.125 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.674 23.034 -24.913 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.074 24.492 -26.946 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.284 26.201 -26.547 1.00 0.00 H new ATOM 767 N GLN A 69 -0.931 20.194 -24.144 1.00 0.00 N ATOM 768 CA GLN A 69 -2.080 19.401 -24.604 1.00 0.00 C ATOM 769 C GLN A 69 -1.933 17.916 -24.229 1.00 0.00 C ATOM 770 O GLN A 69 -2.931 17.258 -23.932 1.00 0.00 O ATOM 771 CB GLN A 69 -2.243 19.607 -26.122 1.00 0.00 C ATOM 772 CG GLN A 69 -3.415 18.844 -26.768 1.00 0.00 C ATOM 773 CD GLN A 69 -4.786 19.227 -26.206 1.00 0.00 C ATOM 774 OE1 GLN A 69 -5.475 20.104 -26.713 1.00 0.00 O ATOM 775 NE2 GLN A 69 -5.239 18.593 -25.143 1.00 0.00 N ATOM 0 H GLN A 69 -0.093 20.035 -24.703 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.985 19.743 -24.101 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.374 20.672 -26.316 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.319 19.305 -26.614 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.409 19.029 -27.842 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.261 17.774 -26.628 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.678 17.860 -24.709 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.151 18.835 -24.755 1.00 0.00 H new ATOM 784 N GLU A 70 -0.706 17.395 -24.184 1.00 0.00 N ATOM 785 CA GLU A 70 -0.385 16.029 -23.741 1.00 0.00 C ATOM 786 C GLU A 70 0.167 16.054 -22.307 1.00 0.00 C ATOM 787 O GLU A 70 1.295 15.648 -22.039 1.00 0.00 O ATOM 788 CB GLU A 70 0.509 15.303 -24.765 1.00 0.00 C ATOM 789 CG GLU A 70 -0.202 15.103 -26.109 1.00 0.00 C ATOM 790 CD GLU A 70 0.616 14.178 -27.030 1.00 0.00 C ATOM 791 OE1 GLU A 70 0.436 12.937 -26.962 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.434 14.681 -27.839 1.00 0.00 O ATOM 0 H GLU A 70 0.120 17.925 -24.462 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.296 15.431 -23.700 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.422 15.877 -24.920 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.806 14.334 -24.364 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.191 14.675 -25.942 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.350 16.068 -26.594 1.00 0.00 H new ATOM 799 N GLN A 71 -0.641 16.558 -21.366 1.00 0.00 N ATOM 800 CA GLN A 71 -0.221 16.819 -19.979 1.00 0.00 C ATOM 801 C GLN A 71 0.118 15.536 -19.193 1.00 0.00 C ATOM 802 O GLN A 71 0.832 15.589 -18.192 1.00 0.00 O ATOM 803 CB GLN A 71 -1.306 17.639 -19.257 1.00 0.00 C ATOM 804 CG GLN A 71 -1.544 19.015 -19.908 1.00 0.00 C ATOM 805 CD GLN A 71 -2.619 19.853 -19.212 1.00 0.00 C ATOM 806 OE1 GLN A 71 -3.084 19.574 -18.113 1.00 0.00 O ATOM 807 NE2 GLN A 71 -3.062 20.927 -19.833 1.00 0.00 N ATOM 0 H GLN A 71 -1.616 16.799 -21.546 1.00 0.00 H new ATOM 0 HA GLN A 71 0.705 17.392 -20.023 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.240 17.076 -19.255 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.016 17.780 -18.216 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.607 19.572 -19.909 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.829 18.869 -20.950 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.688 21.177 -20.749 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.779 21.508 -19.398 1.00 0.00 H new ATOM 816 N HIS A 72 -0.355 14.376 -19.663 1.00 0.00 N ATOM 817 CA HIS A 72 0.015 13.038 -19.182 1.00 0.00 C ATOM 818 C HIS A 72 1.463 12.637 -19.529 1.00 0.00 C ATOM 819 O HIS A 72 2.005 11.717 -18.917 1.00 0.00 O ATOM 820 CB HIS A 72 -0.969 12.035 -19.804 1.00 0.00 C ATOM 821 CG HIS A 72 -0.943 12.020 -21.316 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.681 12.866 -22.151 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.171 11.200 -22.087 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.357 12.512 -23.408 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.445 11.524 -23.398 1.00 0.00 N ATOM 0 H HIS A 72 -1.036 14.342 -20.422 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.038 13.040 -18.093 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.738 11.036 -19.435 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.978 12.273 -19.469 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.519 10.446 -21.738 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.771 12.959 -24.300 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.027 11.089 -24.220 1.00 0.00 H new ATOM 833 N MET A 73 2.077 13.309 -20.506 1.00 0.00 N ATOM 834 CA MET A 73 3.403 13.043 -21.067 1.00 0.00 C ATOM 835 C MET A 73 4.413 14.109 -20.603 1.00 0.00 C ATOM 836 O MET A 73 4.156 15.315 -20.645 1.00 0.00 O ATOM 837 CB MET A 73 3.263 12.927 -22.598 1.00 0.00 C ATOM 838 CG MET A 73 4.542 13.143 -23.416 1.00 0.00 C ATOM 839 SD MET A 73 6.010 12.158 -23.005 1.00 0.00 S ATOM 840 CE MET A 73 5.393 10.470 -23.144 1.00 0.00 C ATOM 0 H MET A 73 1.630 14.108 -20.956 1.00 0.00 H new ATOM 0 HA MET A 73 3.806 12.098 -20.702 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.871 11.937 -22.832 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.519 13.651 -22.929 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.301 12.958 -24.463 1.00 0.00 H new ATOM 0 HG3 MET A 73 4.815 14.195 -23.333 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.175 9.771 -22.848 1.00 0.00 H new ATOM 0 HE2 MET A 73 4.528 10.344 -22.493 1.00 0.00 H new ATOM 0 HE3 MET A 73 5.102 10.273 -24.176 1.00 0.00 H new ATOM 850 N VAL A 74 5.578 13.645 -20.148 1.00 0.00 N ATOM 851 CA VAL A 74 6.660 14.441 -19.565 1.00 0.00 C ATOM 852 C VAL A 74 7.806 14.518 -20.574 1.00 0.00 C ATOM 853 O VAL A 74 8.204 13.508 -21.143 1.00 0.00 O ATOM 854 CB VAL A 74 7.104 13.820 -18.224 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.183 14.655 -17.522 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.920 13.716 -17.249 1.00 0.00 C ATOM 0 H VAL A 74 5.804 12.651 -20.178 1.00 0.00 H new ATOM 0 HA VAL A 74 6.322 15.455 -19.351 1.00 0.00 H new ATOM 0 HB VAL A 74 7.501 12.836 -18.473 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.461 14.175 -16.583 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.060 14.730 -18.165 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.795 15.653 -17.318 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.258 13.275 -16.311 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.518 14.711 -17.058 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.143 13.088 -17.685 1.00 0.00 H new ATOM 866 N TYR A 75 8.360 15.711 -20.767 1.00 0.00 N ATOM 867 CA TYR A 75 9.425 16.064 -21.710 1.00 0.00 C ATOM 868 C TYR A 75 10.567 16.761 -20.955 1.00 0.00 C ATOM 869 O TYR A 75 10.837 17.954 -21.097 1.00 0.00 O ATOM 870 CB TYR A 75 8.852 16.893 -22.872 1.00 0.00 C ATOM 871 CG TYR A 75 8.094 16.063 -23.890 1.00 0.00 C ATOM 872 CD1 TYR A 75 8.718 14.936 -24.459 1.00 0.00 C ATOM 873 CD2 TYR A 75 6.790 16.415 -24.288 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.042 14.150 -25.401 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.118 15.646 -25.261 1.00 0.00 C ATOM 876 CZ TYR A 75 6.741 14.505 -25.818 1.00 0.00 C ATOM 877 OH TYR A 75 6.103 13.752 -26.758 1.00 0.00 O ATOM 0 H TYR A 75 8.055 16.521 -20.228 1.00 0.00 H new ATOM 0 HA TYR A 75 9.849 15.168 -22.162 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.187 17.657 -22.470 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.668 17.413 -23.374 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.725 14.676 -24.167 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.304 17.274 -23.848 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.517 13.270 -25.809 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.126 15.929 -25.581 1.00 0.00 H new ATOM 0 HH TYR A 75 5.216 14.130 -26.933 1.00 0.00 H new ATOM 887 N CYS A 76 11.215 15.979 -20.096 1.00 0.00 N ATOM 888 CA CYS A 76 12.314 16.378 -19.204 1.00 0.00 C ATOM 889 C CYS A 76 13.727 16.395 -19.831 1.00 0.00 C ATOM 890 O CYS A 76 14.717 16.443 -19.102 1.00 0.00 O ATOM 891 CB CYS A 76 12.242 15.569 -17.892 1.00 0.00 C ATOM 892 SG CYS A 76 12.092 13.780 -18.185 1.00 0.00 S ATOM 0 H CYS A 76 10.978 14.992 -19.993 1.00 0.00 H new ATOM 0 HA CYS A 76 12.153 17.434 -18.986 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.136 15.763 -17.299 1.00 0.00 H new ATOM 0 HB3 CYS A 76 11.390 15.911 -17.304 1.00 0.00 H new ATOM 0 HG CYS A 76 10.979 13.348 -17.670 1.00 0.00 H new ATOM 898 N GLY A 77 13.857 16.414 -21.162 1.00 0.00 N ATOM 899 CA GLY A 77 15.153 16.412 -21.865 1.00 0.00 C ATOM 900 C GLY A 77 16.052 17.638 -21.660 1.00 0.00 C ATOM 901 O GLY A 77 17.241 17.576 -21.978 1.00 0.00 O ATOM 0 H GLY A 77 13.056 16.431 -21.794 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.708 15.528 -21.552 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.960 16.306 -22.933 1.00 0.00 H new ATOM 905 N GLY A 78 15.521 18.726 -21.095 1.00 0.00 N ATOM 906 CA GLY A 78 16.289 19.900 -20.672 1.00 0.00 C ATOM 907 C GLY A 78 16.643 19.916 -19.178 1.00 0.00 C ATOM 908 O GLY A 78 17.220 20.906 -18.724 1.00 0.00 O ATOM 0 H GLY A 78 14.521 18.817 -20.915 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.210 19.946 -21.253 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.718 20.798 -20.908 1.00 0.00 H new ATOM 912 N ASP A 79 16.293 18.876 -18.401 1.00 0.00 N ATOM 913 CA ASP A 79 16.385 18.903 -16.935 1.00 0.00 C ATOM 914 C ASP A 79 17.258 17.807 -16.292 1.00 0.00 C ATOM 915 O ASP A 79 17.295 16.646 -16.722 1.00 0.00 O ATOM 916 CB ASP A 79 14.973 18.899 -16.334 1.00 0.00 C ATOM 917 CG ASP A 79 14.979 19.572 -14.958 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.292 18.881 -13.965 1.00 0.00 O ATOM 919 OD2 ASP A 79 14.709 20.791 -14.870 1.00 0.00 O ATOM 0 H ASP A 79 15.939 17.995 -18.774 1.00 0.00 H new ATOM 0 HA ASP A 79 16.911 19.827 -16.696 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.286 19.422 -16.999 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.612 17.875 -16.244 1.00 0.00 H new ATOM 924 N LEU A 80 17.890 18.179 -15.172 1.00 0.00 N ATOM 925 CA LEU A 80 18.636 17.282 -14.289 1.00 0.00 C ATOM 926 C LEU A 80 17.770 16.119 -13.786 1.00 0.00 C ATOM 927 O LEU A 80 18.299 15.024 -13.627 1.00 0.00 O ATOM 928 CB LEU A 80 19.200 18.068 -13.085 1.00 0.00 C ATOM 929 CG LEU A 80 20.453 18.937 -13.316 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.645 18.123 -13.824 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.222 20.109 -14.272 1.00 0.00 C ATOM 0 H LEU A 80 17.895 19.146 -14.847 1.00 0.00 H new ATOM 0 HA LEU A 80 19.456 16.861 -14.871 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.409 18.715 -12.707 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.430 17.352 -12.296 1.00 0.00 H new ATOM 0 HG LEU A 80 20.679 19.340 -12.329 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.500 18.783 -13.970 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.899 17.355 -13.093 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.386 17.650 -14.771 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.147 20.674 -14.385 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.908 19.729 -15.244 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.446 20.760 -13.869 1.00 0.00 H new ATOM 943 N LEU A 81 16.456 16.303 -13.594 1.00 0.00 N ATOM 944 CA LEU A 81 15.538 15.206 -13.270 1.00 0.00 C ATOM 945 C LEU A 81 15.484 14.162 -14.399 1.00 0.00 C ATOM 946 O LEU A 81 15.623 12.976 -14.119 1.00 0.00 O ATOM 947 CB LEU A 81 14.147 15.777 -12.929 1.00 0.00 C ATOM 948 CG LEU A 81 13.044 14.720 -12.704 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.378 13.715 -11.599 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.733 15.412 -12.335 1.00 0.00 C ATOM 0 H LEU A 81 16.002 17.214 -13.659 1.00 0.00 H new ATOM 0 HA LEU A 81 15.911 14.679 -12.392 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.232 16.388 -12.030 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.835 16.439 -13.736 1.00 0.00 H new ATOM 0 HG LEU A 81 12.959 14.169 -13.641 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.560 13.003 -11.496 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.293 13.182 -11.857 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.520 14.244 -10.657 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.958 14.662 -12.177 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.871 15.989 -11.421 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.434 16.079 -13.143 1.00 0.00 H new ATOM 962 N GLY A 82 15.337 14.573 -15.664 1.00 0.00 N ATOM 963 CA GLY A 82 15.343 13.642 -16.806 1.00 0.00 C ATOM 964 C GLY A 82 16.685 12.922 -16.971 1.00 0.00 C ATOM 965 O GLY A 82 16.742 11.708 -17.192 1.00 0.00 O ATOM 0 H GLY A 82 15.211 15.550 -15.927 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.553 12.903 -16.672 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.115 14.191 -17.719 1.00 0.00 H new ATOM 969 N GLU A 83 17.783 13.660 -16.810 1.00 0.00 N ATOM 970 CA GLU A 83 19.149 13.107 -16.866 1.00 0.00 C ATOM 971 C GLU A 83 19.400 12.072 -15.757 1.00 0.00 C ATOM 972 O GLU A 83 19.892 10.972 -16.017 1.00 0.00 O ATOM 973 CB GLU A 83 20.165 14.243 -16.711 1.00 0.00 C ATOM 974 CG GLU A 83 20.084 15.284 -17.829 1.00 0.00 C ATOM 975 CD GLU A 83 21.127 15.020 -18.931 1.00 0.00 C ATOM 976 OE1 GLU A 83 20.922 14.097 -19.758 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.164 15.728 -18.980 1.00 0.00 O ATOM 0 H GLU A 83 17.757 14.665 -16.636 1.00 0.00 H new ATOM 0 HA GLU A 83 19.261 12.610 -17.830 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.005 14.736 -15.752 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.170 13.822 -16.688 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.085 15.274 -18.264 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.240 16.279 -17.412 1.00 0.00 H new ATOM 984 N LEU A 84 19.021 12.421 -14.524 1.00 0.00 N ATOM 985 CA LEU A 84 19.138 11.569 -13.330 1.00 0.00 C ATOM 986 C LEU A 84 18.237 10.326 -13.413 1.00 0.00 C ATOM 987 O LEU A 84 18.707 9.212 -13.165 1.00 0.00 O ATOM 988 CB LEU A 84 18.859 12.430 -12.079 1.00 0.00 C ATOM 989 CG LEU A 84 18.985 11.785 -10.683 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.755 10.978 -10.265 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.229 10.909 -10.529 1.00 0.00 C ATOM 0 H LEU A 84 18.611 13.332 -14.320 1.00 0.00 H new ATOM 0 HA LEU A 84 20.152 11.176 -13.264 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.536 13.283 -12.109 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.846 12.823 -12.169 1.00 0.00 H new ATOM 0 HG LEU A 84 19.076 12.642 -10.016 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.917 10.555 -9.274 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.882 11.630 -10.243 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.588 10.173 -10.980 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.255 10.487 -9.524 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.198 10.102 -11.261 1.00 0.00 H new ATOM 0 HD23 LEU A 84 21.122 11.513 -10.692 1.00 0.00 H new ATOM 1003 N LEU A 85 16.965 10.485 -13.803 1.00 0.00 N ATOM 1004 CA LEU A 85 16.043 9.354 -13.971 1.00 0.00 C ATOM 1005 C LEU A 85 16.463 8.448 -15.138 1.00 0.00 C ATOM 1006 O LEU A 85 16.196 7.246 -15.119 1.00 0.00 O ATOM 1007 CB LEU A 85 14.583 9.853 -14.031 1.00 0.00 C ATOM 1008 CG LEU A 85 13.926 10.117 -15.395 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.198 8.864 -15.892 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.855 11.200 -15.278 1.00 0.00 C ATOM 0 H LEU A 85 16.549 11.393 -14.009 1.00 0.00 H new ATOM 0 HA LEU A 85 16.100 8.709 -13.094 1.00 0.00 H new ATOM 0 HB2 LEU A 85 13.967 9.121 -13.508 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.531 10.780 -13.459 1.00 0.00 H new ATOM 0 HG LEU A 85 14.723 10.416 -16.076 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.739 9.069 -16.859 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.911 8.046 -15.995 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.426 8.584 -15.176 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.403 11.371 -16.255 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.088 10.878 -14.574 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.310 12.124 -14.922 1.00 0.00 H new ATOM 1022 N GLY A 86 17.165 9.013 -16.126 1.00 0.00 N ATOM 1023 CA GLY A 86 17.783 8.267 -17.225 1.00 0.00 C ATOM 1024 C GLY A 86 16.871 8.113 -18.442 1.00 0.00 C ATOM 1025 O GLY A 86 17.294 7.555 -19.455 1.00 0.00 O ATOM 0 H GLY A 86 17.322 10.019 -16.184 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.699 8.774 -17.528 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.069 7.278 -16.867 1.00 0.00 H new ATOM 1029 N ARG A 87 15.643 8.647 -18.365 1.00 0.00 N ATOM 1030 CA ARG A 87 14.719 8.792 -19.502 1.00 0.00 C ATOM 1031 C ARG A 87 14.305 10.257 -19.601 1.00 0.00 C ATOM 1032 O ARG A 87 13.817 10.830 -18.635 1.00 0.00 O ATOM 1033 CB ARG A 87 13.503 7.846 -19.360 1.00 0.00 C ATOM 1034 CG ARG A 87 13.332 6.886 -20.548 1.00 0.00 C ATOM 1035 CD ARG A 87 14.396 5.781 -20.556 1.00 0.00 C ATOM 1036 NE ARG A 87 14.186 4.842 -21.676 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.991 3.861 -22.047 1.00 0.00 C ATOM 1038 NH1 ARG A 87 16.113 3.611 -21.430 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.681 3.101 -23.059 1.00 0.00 N ATOM 0 H ARG A 87 15.255 8.999 -17.490 1.00 0.00 H new ATOM 0 HA ARG A 87 15.217 8.502 -20.427 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.611 7.264 -18.445 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.598 8.444 -19.253 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.341 6.434 -20.508 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.388 7.449 -21.479 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.387 6.228 -20.634 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.365 5.237 -19.612 1.00 0.00 H new ATOM 0 HE ARG A 87 13.331 4.963 -22.220 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.395 4.181 -20.633 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.709 2.845 -21.745 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.813 3.261 -23.570 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.306 2.346 -23.340 1.00 0.00 H new ATOM 1053 N GLN A 88 14.505 10.858 -20.770 1.00 0.00 N ATOM 1054 CA GLN A 88 14.213 12.278 -21.016 1.00 0.00 C ATOM 1055 C GLN A 88 12.746 12.521 -21.433 1.00 0.00 C ATOM 1056 O GLN A 88 12.325 13.663 -21.619 1.00 0.00 O ATOM 1057 CB GLN A 88 15.257 12.825 -22.002 1.00 0.00 C ATOM 1058 CG GLN A 88 16.644 13.031 -21.345 1.00 0.00 C ATOM 1059 CD GLN A 88 17.457 11.741 -21.210 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.945 11.187 -22.186 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.628 11.186 -20.026 1.00 0.00 N ATOM 0 H GLN A 88 14.878 10.373 -21.586 1.00 0.00 H new ATOM 0 HA GLN A 88 14.303 12.842 -20.088 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.355 12.136 -22.841 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.906 13.774 -22.408 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.213 13.749 -21.936 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.507 13.469 -20.356 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.233 11.625 -19.195 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.156 10.317 -19.941 1.00 0.00 H new ATOM 1070 N SER A 89 11.955 11.450 -21.540 1.00 0.00 N ATOM 1071 CA SER A 89 10.498 11.472 -21.694 1.00 0.00 C ATOM 1072 C SER A 89 9.872 10.193 -21.120 1.00 0.00 C ATOM 1073 O SER A 89 10.457 9.107 -21.196 1.00 0.00 O ATOM 1074 CB SER A 89 10.092 11.672 -23.161 1.00 0.00 C ATOM 1075 OG SER A 89 10.595 10.636 -23.996 1.00 0.00 O ATOM 0 H SER A 89 12.330 10.501 -21.521 1.00 0.00 H new ATOM 0 HA SER A 89 10.116 12.323 -21.129 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.005 11.703 -23.236 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.464 12.634 -23.513 1.00 0.00 H new ATOM 0 HG SER A 89 10.315 10.797 -24.921 1.00 0.00 H new ATOM 1081 N PHE A 90 8.693 10.326 -20.510 1.00 0.00 N ATOM 1082 CA PHE A 90 7.883 9.225 -19.964 1.00 0.00 C ATOM 1083 C PHE A 90 6.415 9.666 -19.837 1.00 0.00 C ATOM 1084 O PHE A 90 6.118 10.861 -19.818 1.00 0.00 O ATOM 1085 CB PHE A 90 8.444 8.740 -18.609 1.00 0.00 C ATOM 1086 CG PHE A 90 8.409 9.752 -17.478 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.479 10.651 -17.297 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.313 9.785 -16.594 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.442 11.589 -16.251 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.277 10.725 -15.548 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.338 11.632 -15.382 1.00 0.00 C ATOM 0 H PHE A 90 8.255 11.237 -20.375 1.00 0.00 H new ATOM 0 HA PHE A 90 7.931 8.382 -20.653 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.883 7.858 -18.300 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.477 8.425 -18.757 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.329 10.619 -17.963 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.498 9.087 -16.719 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.263 12.278 -16.115 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.434 10.750 -14.873 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.305 12.362 -14.587 1.00 0.00 H new ATOM 1101 N SER A 91 5.487 8.712 -19.742 1.00 0.00 N ATOM 1102 CA SER A 91 4.062 8.983 -19.492 1.00 0.00 C ATOM 1103 C SER A 91 3.670 8.596 -18.069 1.00 0.00 C ATOM 1104 O SER A 91 4.202 7.639 -17.512 1.00 0.00 O ATOM 1105 CB SER A 91 3.195 8.239 -20.510 1.00 0.00 C ATOM 1106 OG SER A 91 1.824 8.490 -20.252 1.00 0.00 O ATOM 0 H SER A 91 5.701 7.719 -19.837 1.00 0.00 H new ATOM 0 HA SER A 91 3.894 10.054 -19.605 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.449 8.560 -21.520 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.394 7.169 -20.457 1.00 0.00 H new ATOM 0 HG SER A 91 1.283 8.148 -20.994 1.00 0.00 H new ATOM 1112 N VAL A 92 2.672 9.269 -17.496 1.00 0.00 N ATOM 1113 CA VAL A 92 2.047 8.865 -16.226 1.00 0.00 C ATOM 1114 C VAL A 92 1.304 7.517 -16.338 1.00 0.00 C ATOM 1115 O VAL A 92 1.087 6.843 -15.330 1.00 0.00 O ATOM 1116 CB VAL A 92 1.141 10.004 -15.725 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.192 10.080 -16.474 1.00 0.00 C ATOM 1118 CG2 VAL A 92 0.897 9.911 -14.222 1.00 0.00 C ATOM 0 H VAL A 92 2.269 10.115 -17.898 1.00 0.00 H new ATOM 0 HA VAL A 92 2.829 8.694 -15.487 1.00 0.00 H new ATOM 0 HB VAL A 92 1.683 10.926 -15.934 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.787 10.902 -16.076 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.004 10.248 -17.534 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.735 9.144 -16.346 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.253 10.732 -13.906 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.414 8.962 -13.990 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.849 9.973 -13.694 1.00 0.00 H new ATOM 1128 N LYS A 93 0.971 7.085 -17.568 1.00 0.00 N ATOM 1129 CA LYS A 93 0.451 5.751 -17.904 1.00 0.00 C ATOM 1130 C LYS A 93 1.561 4.688 -18.038 1.00 0.00 C ATOM 1131 O LYS A 93 1.286 3.495 -17.911 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.374 5.924 -19.194 1.00 0.00 C ATOM 1133 CG LYS A 93 -0.998 4.654 -19.779 1.00 0.00 C ATOM 1134 CD LYS A 93 -1.992 3.955 -18.836 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.644 2.725 -19.488 1.00 0.00 C ATOM 1136 NZ LYS A 93 -1.680 1.606 -19.690 1.00 0.00 N ATOM 0 H LYS A 93 1.062 7.684 -18.389 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.173 5.368 -17.097 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.174 6.637 -18.995 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.269 6.370 -19.953 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.510 4.907 -20.707 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.202 3.955 -20.035 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.474 3.650 -17.926 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.768 4.661 -18.540 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.469 2.381 -18.863 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.070 3.011 -20.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.169 0.802 -20.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.906 1.922 -20.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.292 1.312 -18.771 1.00 0.00 H new ATOM 1150 N ASP A 94 2.814 5.110 -18.239 1.00 0.00 N ATOM 1151 CA ASP A 94 4.009 4.256 -18.340 1.00 0.00 C ATOM 1152 C ASP A 94 5.184 4.804 -17.483 1.00 0.00 C ATOM 1153 O ASP A 94 6.244 5.143 -18.022 1.00 0.00 O ATOM 1154 CB ASP A 94 4.392 4.073 -19.821 1.00 0.00 C ATOM 1155 CG ASP A 94 3.338 3.281 -20.612 1.00 0.00 C ATOM 1156 OD1 ASP A 94 3.298 2.032 -20.485 1.00 0.00 O ATOM 1157 OD2 ASP A 94 2.568 3.893 -21.391 1.00 0.00 O ATOM 0 H ASP A 94 3.036 6.100 -18.341 1.00 0.00 H new ATOM 0 HA ASP A 94 3.776 3.274 -17.928 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.526 5.052 -20.281 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.350 3.558 -19.883 1.00 0.00 H new ATOM 1162 N PRO A 95 5.033 4.900 -16.142 1.00 0.00 N ATOM 1163 CA PRO A 95 6.036 5.440 -15.210 1.00 0.00 C ATOM 1164 C PRO A 95 7.197 4.461 -14.930 1.00 0.00 C ATOM 1165 O PRO A 95 7.867 4.562 -13.903 1.00 0.00 O ATOM 1166 CB PRO A 95 5.230 5.804 -13.957 1.00 0.00 C ATOM 1167 CG PRO A 95 4.174 4.702 -13.919 1.00 0.00 C ATOM 1168 CD PRO A 95 3.841 4.513 -15.395 1.00 0.00 C ATOM 0 HA PRO A 95 6.552 6.306 -15.624 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.850 5.804 -13.060 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.782 6.794 -14.035 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.559 3.787 -13.469 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.299 4.998 -13.340 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.573 3.477 -15.602 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.987 5.127 -15.682 1.00 0.00 H new ATOM 1176 N SER A 96 7.455 3.503 -15.822 1.00 0.00 N ATOM 1177 CA SER A 96 8.426 2.414 -15.643 1.00 0.00 C ATOM 1178 C SER A 96 9.856 2.889 -15.323 1.00 0.00 C ATOM 1179 O SER A 96 10.403 2.426 -14.318 1.00 0.00 O ATOM 1180 CB SER A 96 8.419 1.485 -16.867 1.00 0.00 C ATOM 1181 OG SER A 96 7.093 1.061 -17.161 1.00 0.00 O ATOM 0 H SER A 96 6.978 3.460 -16.723 1.00 0.00 H new ATOM 0 HA SER A 96 8.099 1.862 -14.761 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.841 2.004 -17.728 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.051 0.618 -16.677 1.00 0.00 H new ATOM 0 HG SER A 96 7.104 0.471 -17.944 1.00 0.00 H new ATOM 1187 N PRO A 97 10.472 3.842 -16.065 1.00 0.00 N ATOM 1188 CA PRO A 97 11.805 4.346 -15.710 1.00 0.00 C ATOM 1189 C PRO A 97 11.785 5.235 -14.453 1.00 0.00 C ATOM 1190 O PRO A 97 12.803 5.376 -13.777 1.00 0.00 O ATOM 1191 CB PRO A 97 12.278 5.119 -16.943 1.00 0.00 C ATOM 1192 CG PRO A 97 10.978 5.652 -17.540 1.00 0.00 C ATOM 1193 CD PRO A 97 10.004 4.503 -17.287 1.00 0.00 C ATOM 0 HA PRO A 97 12.480 3.529 -15.455 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.959 5.927 -16.675 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.808 4.474 -17.644 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.655 6.572 -17.054 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.079 5.872 -18.603 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.986 4.873 -17.166 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.992 3.808 -18.127 1.00 0.00 H new ATOM 1201 N LEU A 98 10.626 5.812 -14.113 1.00 0.00 N ATOM 1202 CA LEU A 98 10.434 6.682 -12.951 1.00 0.00 C ATOM 1203 C LEU A 98 10.469 5.849 -11.655 1.00 0.00 C ATOM 1204 O LEU A 98 11.317 6.078 -10.790 1.00 0.00 O ATOM 1205 CB LEU A 98 9.127 7.485 -13.178 1.00 0.00 C ATOM 1206 CG LEU A 98 8.931 8.795 -12.398 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.882 8.577 -10.891 1.00 0.00 C ATOM 1208 CD2 LEU A 98 10.005 9.825 -12.737 1.00 0.00 C ATOM 0 H LEU A 98 9.772 5.681 -14.656 1.00 0.00 H new ATOM 0 HA LEU A 98 11.241 7.405 -12.835 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.060 7.718 -14.241 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.289 6.829 -12.942 1.00 0.00 H new ATOM 0 HG LEU A 98 7.962 9.183 -12.713 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.742 9.534 -10.389 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.052 7.914 -10.646 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.817 8.126 -10.558 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.829 10.736 -12.164 1.00 0.00 H new ATOM 0 HD22 LEU A 98 10.987 9.423 -12.487 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.967 10.053 -13.802 1.00 0.00 H new ATOM 1220 N TYR A 99 9.641 4.802 -11.558 1.00 0.00 N ATOM 1221 CA TYR A 99 9.706 3.853 -10.438 1.00 0.00 C ATOM 1222 C TYR A 99 11.055 3.132 -10.358 1.00 0.00 C ATOM 1223 O TYR A 99 11.558 2.917 -9.256 1.00 0.00 O ATOM 1224 CB TYR A 99 8.567 2.832 -10.518 1.00 0.00 C ATOM 1225 CG TYR A 99 7.246 3.363 -9.993 1.00 0.00 C ATOM 1226 CD1 TYR A 99 7.040 3.462 -8.602 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.230 3.761 -10.881 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.822 3.958 -8.099 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.008 4.257 -10.382 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.800 4.356 -8.988 1.00 0.00 C ATOM 1231 OH TYR A 99 3.618 4.821 -8.496 1.00 0.00 O ATOM 0 H TYR A 99 8.916 4.589 -12.243 1.00 0.00 H new ATOM 0 HA TYR A 99 9.595 4.441 -9.527 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.439 2.521 -11.555 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.845 1.943 -9.951 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.819 3.156 -7.920 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.386 3.686 -11.947 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.669 4.034 -7.033 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.230 4.562 -11.066 1.00 0.00 H new ATOM 0 HH TYR A 99 3.023 5.053 -9.239 1.00 0.00 H new ATOM 1241 N ASP A 100 11.683 2.811 -11.495 1.00 0.00 N ATOM 1242 CA ASP A 100 13.007 2.185 -11.485 1.00 0.00 C ATOM 1243 C ASP A 100 14.089 3.121 -10.936 1.00 0.00 C ATOM 1244 O ASP A 100 14.927 2.691 -10.145 1.00 0.00 O ATOM 1245 CB ASP A 100 13.385 1.700 -12.885 1.00 0.00 C ATOM 1246 CG ASP A 100 14.553 0.701 -12.829 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.433 -0.329 -12.122 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.593 0.943 -13.488 1.00 0.00 O ATOM 0 H ASP A 100 11.298 2.973 -12.426 1.00 0.00 H new ATOM 0 HA ASP A 100 12.948 1.328 -10.814 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.522 1.229 -13.355 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.661 2.552 -13.506 1.00 0.00 H new ATOM 1253 N MET A 101 14.045 4.414 -11.282 1.00 0.00 N ATOM 1254 CA MET A 101 14.938 5.400 -10.656 1.00 0.00 C ATOM 1255 C MET A 101 14.674 5.525 -9.153 1.00 0.00 C ATOM 1256 O MET A 101 15.626 5.548 -8.378 1.00 0.00 O ATOM 1257 CB MET A 101 14.955 6.765 -11.377 1.00 0.00 C ATOM 1258 CG MET A 101 13.877 7.791 -10.996 1.00 0.00 C ATOM 1259 SD MET A 101 14.541 9.427 -10.598 1.00 0.00 S ATOM 1260 CE MET A 101 13.012 10.176 -10.001 1.00 0.00 C ATOM 0 H MET A 101 13.411 4.799 -11.982 1.00 0.00 H new ATOM 0 HA MET A 101 15.950 5.012 -10.773 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.929 7.223 -11.204 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.876 6.579 -12.448 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.170 7.886 -11.820 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.318 7.417 -10.138 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.067 11.258 -10.119 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.170 9.790 -10.575 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.875 9.933 -8.947 1.00 0.00 H new ATOM 1270 N LEU A 102 13.412 5.530 -8.707 1.00 0.00 N ATOM 1271 CA LEU A 102 13.072 5.635 -7.286 1.00 0.00 C ATOM 1272 C LEU A 102 13.648 4.438 -6.523 1.00 0.00 C ATOM 1273 O LEU A 102 14.418 4.646 -5.592 1.00 0.00 O ATOM 1274 CB LEU A 102 11.547 5.774 -7.108 1.00 0.00 C ATOM 1275 CG LEU A 102 10.954 7.109 -7.599 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.431 7.037 -7.558 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.388 8.307 -6.752 1.00 0.00 C ATOM 0 H LEU A 102 12.600 5.461 -9.321 1.00 0.00 H new ATOM 0 HA LEU A 102 13.521 6.535 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.058 4.958 -7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.307 5.654 -6.052 1.00 0.00 H new ATOM 0 HG LEU A 102 11.326 7.256 -8.613 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.013 7.982 -7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.087 6.229 -8.204 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.103 6.849 -6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.937 9.216 -7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.063 8.161 -5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.474 8.398 -6.780 1.00 0.00 H new ATOM 1289 N ARG A 103 13.424 3.211 -7.010 1.00 0.00 N ATOM 1290 CA ARG A 103 13.974 1.951 -6.486 1.00 0.00 C ATOM 1291 C ARG A 103 15.513 1.912 -6.402 1.00 0.00 C ATOM 1292 O ARG A 103 16.056 1.139 -5.612 1.00 0.00 O ATOM 1293 CB ARG A 103 13.411 0.843 -7.397 1.00 0.00 C ATOM 1294 CG ARG A 103 13.692 -0.576 -6.896 1.00 0.00 C ATOM 1295 CD ARG A 103 12.980 -1.633 -7.751 1.00 0.00 C ATOM 1296 NE ARG A 103 13.582 -1.768 -9.099 1.00 0.00 N ATOM 1297 CZ ARG A 103 13.963 -2.878 -9.708 1.00 0.00 C ATOM 1298 NH1 ARG A 103 13.878 -4.056 -9.152 1.00 0.00 N ATOM 1299 NH2 ARG A 103 14.443 -2.819 -10.914 1.00 0.00 N ATOM 0 H ARG A 103 12.824 3.061 -7.821 1.00 0.00 H new ATOM 0 HA ARG A 103 13.672 1.821 -5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.333 0.977 -7.492 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.836 0.956 -8.395 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.766 -0.760 -6.910 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.366 -0.667 -5.860 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.019 -2.595 -7.241 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.928 -1.367 -7.851 1.00 0.00 H new ATOM 0 HE ARG A 103 13.719 -0.901 -9.619 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.505 -4.148 -8.207 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.185 -4.884 -9.662 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.525 -1.919 -11.387 1.00 0.00 H new ATOM 0 HH22 ARG A 103 14.738 -3.673 -11.388 1.00 0.00 H new ATOM 1313 N LYS A 104 16.215 2.755 -7.176 1.00 0.00 N ATOM 1314 CA LYS A 104 17.689 2.874 -7.180 1.00 0.00 C ATOM 1315 C LYS A 104 18.210 4.114 -6.439 1.00 0.00 C ATOM 1316 O LYS A 104 19.420 4.243 -6.247 1.00 0.00 O ATOM 1317 CB LYS A 104 18.207 2.795 -8.629 1.00 0.00 C ATOM 1318 CG LYS A 104 17.917 1.419 -9.259 1.00 0.00 C ATOM 1319 CD LYS A 104 18.433 1.255 -10.698 1.00 0.00 C ATOM 1320 CE LYS A 104 17.997 2.400 -11.625 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.111 2.023 -13.060 1.00 0.00 N ATOM 0 H LYS A 104 15.765 3.391 -7.835 1.00 0.00 H new ATOM 0 HA LYS A 104 18.089 2.033 -6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.738 3.576 -9.227 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.280 2.984 -8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.366 0.646 -8.635 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.840 1.250 -9.251 1.00 0.00 H new ATOM 0 HD2 LYS A 104 19.522 1.200 -10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 104 18.072 0.310 -11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.966 2.675 -11.402 1.00 0.00 H new ATOM 0 HE3 LYS A 104 18.611 3.279 -11.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 18.295 2.874 -13.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.894 1.349 -13.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.223 1.582 -13.375 1.00 0.00 H new ATOM 1335 N ASN A 105 17.326 5.019 -6.006 1.00 0.00 N ATOM 1336 CA ASN A 105 17.680 6.221 -5.238 1.00 0.00 C ATOM 1337 C ASN A 105 17.192 6.095 -3.784 1.00 0.00 C ATOM 1338 O ASN A 105 17.977 5.968 -2.847 1.00 0.00 O ATOM 1339 CB ASN A 105 17.101 7.456 -5.966 1.00 0.00 C ATOM 1340 CG ASN A 105 17.964 7.907 -7.135 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.817 8.770 -7.021 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.770 7.318 -8.284 1.00 0.00 N ATOM 0 H ASN A 105 16.325 4.936 -6.182 1.00 0.00 H new ATOM 0 HA ASN A 105 18.762 6.338 -5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.100 7.223 -6.328 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.000 8.277 -5.256 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.334 7.579 -9.093 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.055 6.596 -8.373 1.00 0.00 H new ATOM 1349 N LEU A 106 15.873 6.098 -3.623 1.00 0.00 N ATOM 1350 CA LEU A 106 15.167 5.806 -2.371 1.00 0.00 C ATOM 1351 C LEU A 106 15.438 4.362 -1.907 1.00 0.00 C ATOM 1352 O LEU A 106 15.666 3.462 -2.718 1.00 0.00 O ATOM 1353 CB LEU A 106 13.642 5.986 -2.559 1.00 0.00 C ATOM 1354 CG LEU A 106 13.078 7.414 -2.666 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.644 8.238 -3.821 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.567 7.300 -2.856 1.00 0.00 C ATOM 0 H LEU A 106 15.236 6.312 -4.390 1.00 0.00 H new ATOM 0 HA LEU A 106 15.535 6.502 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.354 5.447 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.145 5.495 -1.722 1.00 0.00 H new ATOM 0 HG LEU A 106 13.362 7.936 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.190 9.229 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.724 8.333 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.423 7.740 -4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.134 8.297 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.356 6.739 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.131 6.782 -2.002 1.00 0.00 H new ATOM 1368 N VAL A 107 15.287 4.114 -0.603 1.00 0.00 N ATOM 1369 CA VAL A 107 15.288 2.760 -0.003 1.00 0.00 C ATOM 1370 C VAL A 107 13.964 2.004 -0.207 1.00 0.00 C ATOM 1371 O VAL A 107 13.393 1.437 0.726 1.00 0.00 O ATOM 1372 CB VAL A 107 15.738 2.753 1.469 1.00 0.00 C ATOM 1373 CG1 VAL A 107 17.217 3.141 1.578 1.00 0.00 C ATOM 1374 CG2 VAL A 107 14.911 3.677 2.378 1.00 0.00 C ATOM 0 H VAL A 107 15.158 4.856 0.085 1.00 0.00 H new ATOM 0 HA VAL A 107 16.044 2.205 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 107 15.578 1.733 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 107 17.519 3.131 2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 107 17.822 2.428 1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 107 17.362 4.140 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 107 15.289 3.617 3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 107 14.990 4.704 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 107 13.866 3.366 2.359 1.00 0.00 H new ATOM 1384 N THR A 108 13.471 1.984 -1.448 1.00 0.00 N ATOM 1385 CA THR A 108 12.321 1.166 -1.871 1.00 0.00 C ATOM 1386 C THR A 108 11.038 1.471 -1.080 1.00 0.00 C ATOM 1387 O THR A 108 10.515 0.640 -0.332 1.00 0.00 O ATOM 1388 CB THR A 108 12.708 -0.326 -1.861 1.00 0.00 C ATOM 1389 OG1 THR A 108 13.888 -0.511 -2.624 1.00 0.00 O ATOM 1390 CG2 THR A 108 11.646 -1.222 -2.525 1.00 0.00 C ATOM 0 H THR A 108 13.864 2.545 -2.204 1.00 0.00 H new ATOM 0 HA THR A 108 12.071 1.438 -2.896 1.00 0.00 H new ATOM 0 HB THR A 108 12.824 -0.601 -0.813 1.00 0.00 H new ATOM 0 HG1 THR A 108 14.137 -1.459 -2.617 1.00 0.00 H new ATOM 0 HG21 THR A 108 11.973 -2.261 -2.489 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.700 -1.120 -1.993 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.513 -0.920 -3.564 1.00 0.00 H new ATOM 1398 N LEU A 109 10.527 2.698 -1.235 1.00 0.00 N ATOM 1399 CA LEU A 109 9.195 3.081 -0.751 1.00 0.00 C ATOM 1400 C LEU A 109 8.195 2.973 -1.910 1.00 0.00 C ATOM 1401 O LEU A 109 8.496 3.363 -3.041 1.00 0.00 O ATOM 1402 CB LEU A 109 9.181 4.487 -0.129 1.00 0.00 C ATOM 1403 CG LEU A 109 9.804 4.595 1.272 1.00 0.00 C ATOM 1404 CD1 LEU A 109 11.329 4.506 1.261 1.00 0.00 C ATOM 1405 CD2 LEU A 109 9.402 5.936 1.882 1.00 0.00 C ATOM 0 H LEU A 109 11.027 3.455 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 109 8.906 2.397 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.711 5.166 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.148 4.832 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 109 9.433 3.752 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 109 11.706 4.589 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 109 11.635 3.549 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 109 11.736 5.316 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.837 6.028 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.766 6.747 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.316 5.992 1.954 1.00 0.00 H new ATOM 1417 N ALA A 110 7.007 2.446 -1.621 1.00 0.00 N ATOM 1418 CA ALA A 110 5.985 2.117 -2.613 1.00 0.00 C ATOM 1419 C ALA A 110 4.568 2.390 -2.069 1.00 0.00 C ATOM 1420 O ALA A 110 4.326 2.305 -0.862 1.00 0.00 O ATOM 1421 CB ALA A 110 6.203 0.653 -3.026 1.00 0.00 C ATOM 0 H ALA A 110 6.721 2.230 -0.666 1.00 0.00 H new ATOM 0 HA ALA A 110 6.075 2.753 -3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 110 5.457 0.369 -3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.200 0.540 -3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 110 6.107 0.010 -2.151 1.00 0.00 H new ATOM 1427 N THR A 111 3.636 2.754 -2.957 1.00 0.00 N ATOM 1428 CA THR A 111 2.270 3.191 -2.602 1.00 0.00 C ATOM 1429 C THR A 111 1.228 2.850 -3.674 1.00 0.00 C ATOM 1430 O THR A 111 1.564 2.551 -4.831 1.00 0.00 O ATOM 1431 CB THR A 111 2.248 4.698 -2.284 1.00 0.00 C ATOM 1432 OG1 THR A 111 0.955 5.052 -1.836 1.00 0.00 O ATOM 1433 CG2 THR A 111 2.603 5.601 -3.471 1.00 0.00 C ATOM 0 H THR A 111 3.808 2.755 -3.962 1.00 0.00 H new ATOM 0 HA THR A 111 1.989 2.631 -1.710 1.00 0.00 H new ATOM 0 HB THR A 111 3.013 4.857 -1.524 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.931 6.010 -1.629 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.563 6.645 -3.159 1.00 0.00 H new ATOM 0 HG22 THR A 111 3.608 5.365 -3.820 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.890 5.437 -4.279 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48L A 200 -0.515 12.102 -10.966 1.00 0.00 N HETATM 1443 CG1 48L A 200 2.698 13.014 -10.651 1.00 0.00 C HETATM 1444 CG2 48L A 200 1.108 10.911 -9.398 1.00 0.00 C HETATM 1445 CG3 48L A 200 -0.897 13.195 -13.092 1.00 0.00 C HETATM 1446 CD1 48L A 200 2.918 12.551 -11.954 1.00 0.00 C HETATM 1447 CD2 48L A 200 3.786 13.142 -9.787 1.00 0.00 C HETATM 1448 CD3 48L A 200 1.469 9.974 -10.371 1.00 0.00 C HETATM 1449 CD4 48L A 200 1.428 10.652 -8.061 1.00 0.00 C HETATM 1450 CD5 48L A 200 -1.992 12.381 -13.414 1.00 0.00 C HETATM 1451 CD6 48L A 200 -0.347 14.000 -14.105 1.00 0.00 C HETATM 1452 CE1 48L A 200 4.205 12.220 -12.380 1.00 0.00 C HETATM 1453 CE2 48L A 200 5.071 12.820 -10.214 1.00 0.00 C HETATM 1454 CE3 48L A 200 2.071 9.469 -7.698 1.00 0.00 C HETATM 1455 CE4 48L A 200 2.134 8.805 -10.009 1.00 0.00 C HETATM 1456 CE5 48L A 200 -2.591 12.453 -14.669 1.00 0.00 C HETATM 1457 CE6 48L A 200 -0.971 14.088 -15.350 1.00 0.00 C HETATM 1458 CZ1 48L A 200 5.280 12.358 -11.507 1.00 0.00 C HETATM 1459 CZ2 48L A 200 2.425 8.539 -8.673 1.00 0.00 C HETATM 1460 CZ3 48L A 200 -2.101 13.330 -15.625 1.00 0.00 C HETATM 1461 CL 48L A 200 6.881 11.952 -12.014 1.00 0.00 CL HETATM 1462 CM1 48L A 200 -3.145 14.654 -17.395 1.00 0.00 C HETATM 1463 CM2 48L A 200 2.299 13.783 -15.719 1.00 0.00 C HETATM 1464 CM3 48L A 200 2.995 15.672 -14.195 1.00 0.00 C HETATM 1465 C1 48L A 200 -1.493 18.207 -12.889 1.00 0.00 C HETATM 1466 N1 48L A 200 -2.601 17.479 -13.101 1.00 0.00 N HETATM 1467 O1 48L A 200 -1.469 19.347 -13.314 1.00 0.00 O HETATM 1468 C2 48L A 200 -2.831 16.136 -12.555 1.00 0.00 C HETATM 1469 N2 48L A 200 -0.493 16.164 -11.665 1.00 0.00 N HETATM 1470 C3 48L A 200 -1.903 15.827 -11.366 1.00 0.00 C HETATM 1471 N3 48L A 200 0.516 14.112 -11.147 1.00 0.00 N HETATM 1472 O3 48L A 200 -2.707 13.384 -16.858 1.00 0.00 O HETATM 1473 C4 48L A 200 -0.329 17.573 -12.127 1.00 0.00 C HETATM 1474 C5 48L A 200 0.585 15.460 -11.220 1.00 0.00 C HETATM 1475 O5 48L A 200 1.590 16.054 -10.871 1.00 0.00 O HETATM 1476 C6 48L A 200 -0.372 13.147 -11.691 1.00 0.00 C HETATM 1477 O6 48L A 200 0.870 14.620 -13.902 1.00 0.00 O HETATM 1478 C7 48L A 200 0.382 12.202 -9.779 1.00 0.00 C HETATM 1479 C8 48L A 200 1.305 13.399 -10.142 1.00 0.00 C HETATM 1480 C9 48L A 200 1.814 15.014 -14.925 1.00 0.00 C HETATM 1481 BR 48L A 200 2.656 7.569 -11.352 1.00 0.00 BR HETATM 1482 F 48L A 200 1.121 11.541 -7.098 1.00 0.00 F