USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 817 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 102 TYR OH : rot 180:sc= -0.192 USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= -2.1! USER MOD Set 2.1: A 68 GLN : amide:sc= -6.08! C(o=-9!,f=-13!) USER MOD Set 2.2: A 72 ASN : amide:sc= -2.95! X(o=-9!,f=-8.6) USER MOD Set 3.1: A 19 LYS NZ :NH3+ -110:sc= 0.853 (180deg=-0.491) USER MOD Set 3.2: A 48 HIS :FLIP no HE2:sc= -5.32! C(o=-8.7!,f=-4.5!) USER MOD Set 4.1: A 30 ASN :FLIP amide:sc= 1.09 F(o=-5.2!,f=2.4) USER MOD Set 4.2: A 33 THR OG1 : rot 6:sc= 0.197 USER MOD Set 4.3: A 34 SER OG : rot 67:sc= 1.14 USER MOD Set 5.1: A 23 TYR OH : rot -7:sc= 1.21 USER MOD Set 5.2: A 46 HIS : no HD1:sc= -2.82! C(o=-1.6!,f=-11!) USER MOD Single : A 16 CYS SG : rot 140:sc= -0.415 USER MOD Single : A 17 GLN : amide:sc= 0.184 K(o=0.18,f=-2.4!) USER MOD Single : A 18 MET CE :methyl -135:sc= -0.134 (180deg=-1.05) USER MOD Single : A 20 THR OG1 : rot -44:sc= 0.583 USER MOD Single : A 25 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.5!) USER MOD Single : A 27 ASN : amide:sc= -0.689 K(o=-0.69,f=-1.6) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0801 USER MOD Single : A 42 ASN : amide:sc= -1.96! C(o=-2!,f=-3.8!) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 2.17 (180deg=0.854) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0855) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0555 F(o=-4!,f=-0.055) USER MOD Single : A 64 HIS : no HD1:sc= -0.957 K(o=-0.96,f=-2.1!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.9!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.2!) USER MOD Single : A 93 GLN : amide:sc= -0.0443 K(o=-0.044,f=-1.4!) USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.111) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0128 USER MOD Single : A 101 THR OG1 : rot 88:sc= 0.938 USER MOD Single : A 105 THR OG1 : rot -76:sc= 0.176 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 108:sc= 1.18 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N ASP A 10 12.678 7.429 -0.960 1.00 0.00 N ATOM 99 CA ASP A 10 12.446 7.720 -2.370 1.00 0.00 C ATOM 100 C ASP A 10 12.213 6.435 -3.159 1.00 0.00 C ATOM 101 O ASP A 10 11.250 6.327 -3.917 1.00 0.00 O ATOM 102 CB ASP A 10 13.633 8.485 -2.958 1.00 0.00 C ATOM 103 CG ASP A 10 14.135 9.575 -2.029 1.00 0.00 C ATOM 104 OD1 ASP A 10 13.296 10.245 -1.393 1.00 0.00 O ATOM 105 OD2 ASP A 10 15.368 9.756 -1.940 1.00 0.00 O ATOM 0 HA ASP A 10 11.552 8.339 -2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.444 7.787 -3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.341 8.928 -3.910 1.00 0.00 H new ATOM 110 N ALA A 11 13.102 5.465 -2.976 1.00 0.00 N ATOM 111 CA ALA A 11 12.993 4.188 -3.670 1.00 0.00 C ATOM 112 C ALA A 11 11.573 3.637 -3.585 1.00 0.00 C ATOM 113 O ALA A 11 10.980 3.262 -4.597 1.00 0.00 O ATOM 114 CB ALA A 11 13.984 3.187 -3.094 1.00 0.00 C ATOM 0 H ALA A 11 13.906 5.539 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 11 13.230 4.353 -4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.891 2.238 -3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.998 3.570 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.774 3.035 -2.035 1.00 0.00 H new ATOM 120 N LEU A 12 11.034 3.589 -2.373 1.00 0.00 N ATOM 121 CA LEU A 12 9.682 3.083 -2.156 1.00 0.00 C ATOM 122 C LEU A 12 8.658 3.922 -2.914 1.00 0.00 C ATOM 123 O LEU A 12 7.937 3.413 -3.773 1.00 0.00 O ATOM 124 CB LEU A 12 9.351 3.081 -0.662 1.00 0.00 C ATOM 125 CG LEU A 12 8.024 2.429 -0.270 1.00 0.00 C ATOM 126 CD1 LEU A 12 8.019 0.957 -0.652 1.00 0.00 C ATOM 127 CD2 LEU A 12 7.769 2.596 1.221 1.00 0.00 C ATOM 0 H LEU A 12 11.511 3.894 -1.525 1.00 0.00 H new ATOM 0 HA LEU A 12 9.638 2.061 -2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.155 2.569 -0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.344 4.113 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 12 7.221 2.927 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.067 0.510 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.156 0.860 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.831 0.444 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.821 2.126 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.575 2.124 1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.728 3.657 1.467 1.00 0.00 H new ATOM 139 N LEU A 13 8.602 5.210 -2.592 1.00 0.00 N ATOM 140 CA LEU A 13 7.668 6.120 -3.244 1.00 0.00 C ATOM 141 C LEU A 13 7.568 5.822 -4.737 1.00 0.00 C ATOM 142 O LEU A 13 6.473 5.675 -5.281 1.00 0.00 O ATOM 143 CB LEU A 13 8.104 7.570 -3.030 1.00 0.00 C ATOM 144 CG LEU A 13 7.157 8.643 -3.567 1.00 0.00 C ATOM 145 CD1 LEU A 13 5.899 8.719 -2.715 1.00 0.00 C ATOM 146 CD2 LEU A 13 7.853 9.995 -3.613 1.00 0.00 C ATOM 0 H LEU A 13 9.192 5.647 -1.884 1.00 0.00 H new ATOM 0 HA LEU A 13 6.685 5.973 -2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.237 7.734 -1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.079 7.708 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 13 6.869 8.370 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.237 9.488 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.389 7.756 -2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.169 8.967 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.163 10.746 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.171 10.275 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.724 9.934 -4.265 1.00 0.00 H new ATOM 158 N LEU A 14 8.720 5.732 -5.394 1.00 0.00 N ATOM 159 CA LEU A 14 8.764 5.449 -6.825 1.00 0.00 C ATOM 160 C LEU A 14 8.043 4.144 -7.144 1.00 0.00 C ATOM 161 O LEU A 14 7.299 4.057 -8.121 1.00 0.00 O ATOM 162 CB LEU A 14 10.214 5.375 -7.306 1.00 0.00 C ATOM 163 CG LEU A 14 10.425 4.845 -8.724 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.812 5.792 -9.745 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.907 4.643 -9.003 1.00 0.00 C ATOM 0 H LEU A 14 9.635 5.851 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 14 8.256 6.260 -7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.647 6.373 -7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.773 4.742 -6.616 1.00 0.00 H new ATOM 0 HG LEU A 14 9.925 3.880 -8.809 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.972 5.398 -10.749 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.742 5.885 -9.558 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.282 6.772 -9.661 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.038 4.265 -10.017 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.430 5.594 -8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.316 3.925 -8.293 1.00 0.00 H new ATOM 177 N TRP A 15 8.268 3.132 -6.313 1.00 0.00 N ATOM 178 CA TRP A 15 7.638 1.831 -6.506 1.00 0.00 C ATOM 179 C TRP A 15 6.124 1.972 -6.626 1.00 0.00 C ATOM 180 O TRP A 15 5.536 1.601 -7.643 1.00 0.00 O ATOM 181 CB TRP A 15 7.985 0.896 -5.346 1.00 0.00 C ATOM 182 CG TRP A 15 7.571 -0.524 -5.584 1.00 0.00 C ATOM 183 CD1 TRP A 15 8.134 -1.406 -6.462 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.505 -1.227 -4.935 1.00 0.00 C ATOM 185 NE1 TRP A 15 7.482 -2.613 -6.398 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.479 -2.530 -5.469 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.570 -0.881 -3.955 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.554 -3.486 -5.055 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.654 -1.831 -3.546 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.651 -3.120 -4.094 1.00 0.00 C ATOM 0 H TRP A 15 8.881 3.187 -5.500 1.00 0.00 H new ATOM 0 HA TRP A 15 8.019 1.404 -7.434 1.00 0.00 H new ATOM 0 HB2 TRP A 15 9.060 0.929 -5.171 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.503 1.260 -4.439 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.969 -1.187 -7.111 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.708 -3.438 -6.953 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.564 0.110 -3.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.550 -4.480 -5.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.927 -1.575 -2.790 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.922 -3.839 -3.751 1.00 0.00 H new ATOM 201 N CYS A 16 5.499 2.507 -5.583 1.00 0.00 N ATOM 202 CA CYS A 16 4.053 2.696 -5.572 1.00 0.00 C ATOM 203 C CYS A 16 3.612 3.585 -6.730 1.00 0.00 C ATOM 204 O CYS A 16 2.521 3.415 -7.275 1.00 0.00 O ATOM 205 CB CYS A 16 3.608 3.310 -4.244 1.00 0.00 C ATOM 206 SG CYS A 16 3.854 2.232 -2.814 1.00 0.00 S ATOM 0 H CYS A 16 5.971 2.818 -4.734 1.00 0.00 H new ATOM 0 HA CYS A 16 3.583 1.719 -5.688 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.155 4.239 -4.084 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.552 3.570 -4.312 1.00 0.00 H new ATOM 0 HG CYS A 16 4.279 2.936 -1.808 1.00 0.00 H new ATOM 212 N GLN A 17 4.466 4.533 -7.101 1.00 0.00 N ATOM 213 CA GLN A 17 4.163 5.450 -8.192 1.00 0.00 C ATOM 214 C GLN A 17 4.117 4.713 -9.527 1.00 0.00 C ATOM 215 O GLN A 17 3.336 5.059 -10.412 1.00 0.00 O ATOM 216 CB GLN A 17 5.204 6.570 -8.250 1.00 0.00 C ATOM 217 CG GLN A 17 4.945 7.693 -7.261 1.00 0.00 C ATOM 218 CD GLN A 17 5.746 8.943 -7.573 1.00 0.00 C ATOM 219 OE1 GLN A 17 6.247 9.110 -8.685 1.00 0.00 O ATOM 220 NE2 GLN A 17 5.872 9.827 -6.590 1.00 0.00 N ATOM 0 H GLN A 17 5.374 4.686 -6.662 1.00 0.00 H new ATOM 0 HA GLN A 17 3.181 5.885 -8.004 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.190 6.148 -8.058 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.225 6.983 -9.258 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.883 7.937 -7.264 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.190 7.350 -6.256 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.440 9.647 -5.684 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.401 10.686 -6.741 1.00 0.00 H new ATOM 229 N MET A 18 4.960 3.694 -9.663 1.00 0.00 N ATOM 230 CA MET A 18 5.014 2.906 -10.889 1.00 0.00 C ATOM 231 C MET A 18 3.773 2.031 -11.029 1.00 0.00 C ATOM 232 O MET A 18 3.246 1.853 -12.126 1.00 0.00 O ATOM 233 CB MET A 18 6.272 2.035 -10.906 1.00 0.00 C ATOM 234 CG MET A 18 7.544 2.812 -11.206 1.00 0.00 C ATOM 235 SD MET A 18 8.904 1.743 -11.719 1.00 0.00 S ATOM 236 CE MET A 18 9.515 1.187 -10.130 1.00 0.00 C ATOM 0 H MET A 18 5.614 3.395 -8.940 1.00 0.00 H new ATOM 0 HA MET A 18 5.047 3.595 -11.733 1.00 0.00 H new ATOM 0 HB2 MET A 18 6.376 1.542 -9.939 1.00 0.00 H new ATOM 0 HB3 MET A 18 6.151 1.250 -11.652 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.344 3.541 -11.991 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.841 3.372 -10.319 1.00 0.00 H new ATOM 0 HE1 MET A 18 10.603 1.246 -10.118 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.109 1.821 -9.342 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.205 0.156 -9.962 1.00 0.00 H new ATOM 246 N LYS A 19 3.311 1.484 -9.908 1.00 0.00 N ATOM 247 CA LYS A 19 2.132 0.627 -9.904 1.00 0.00 C ATOM 248 C LYS A 19 0.854 1.459 -9.955 1.00 0.00 C ATOM 249 O LYS A 19 0.075 1.363 -10.904 1.00 0.00 O ATOM 250 CB LYS A 19 2.125 -0.261 -8.658 1.00 0.00 C ATOM 251 CG LYS A 19 3.455 -0.945 -8.392 1.00 0.00 C ATOM 252 CD LYS A 19 3.846 -1.868 -9.535 1.00 0.00 C ATOM 253 CE LYS A 19 4.888 -2.885 -9.098 1.00 0.00 C ATOM 254 NZ LYS A 19 4.355 -3.817 -8.065 1.00 0.00 N ATOM 0 H LYS A 19 3.736 1.620 -8.991 1.00 0.00 H new ATOM 0 HA LYS A 19 2.170 -0.004 -10.792 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.858 0.344 -7.792 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.351 -1.020 -8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.230 -0.192 -8.250 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.392 -1.517 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.961 -2.387 -9.904 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.237 -1.277 -10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.224 -3.456 -9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.760 -2.364 -8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.809 -3.618 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.327 -3.687 -7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.557 -4.798 -8.345 1.00 0.00 H new ATOM 268 N THR A 20 0.645 2.278 -8.929 1.00 0.00 N ATOM 269 CA THR A 20 -0.537 3.127 -8.857 1.00 0.00 C ATOM 270 C THR A 20 -0.678 3.980 -10.113 1.00 0.00 C ATOM 271 O THR A 20 -1.762 4.476 -10.418 1.00 0.00 O ATOM 272 CB THR A 20 -0.491 4.051 -7.625 1.00 0.00 C ATOM 273 OG1 THR A 20 0.639 4.927 -7.712 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.411 3.238 -6.342 1.00 0.00 C ATOM 0 H THR A 20 1.280 2.371 -8.136 1.00 0.00 H new ATOM 0 HA THR A 20 -1.398 2.464 -8.772 1.00 0.00 H new ATOM 0 HB THR A 20 -1.407 4.641 -7.606 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.427 4.418 -7.996 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.380 3.912 -5.486 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.287 2.593 -6.265 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.491 2.625 -6.355 1.00 0.00 H new ATOM 282 N ALA A 21 0.423 4.146 -10.837 1.00 0.00 N ATOM 283 CA ALA A 21 0.421 4.937 -12.061 1.00 0.00 C ATOM 284 C ALA A 21 -0.859 4.707 -12.859 1.00 0.00 C ATOM 285 O ALA A 21 -1.652 5.627 -13.056 1.00 0.00 O ATOM 286 CB ALA A 21 1.640 4.603 -12.908 1.00 0.00 C ATOM 0 H ALA A 21 1.329 3.743 -10.597 1.00 0.00 H new ATOM 0 HA ALA A 21 0.463 5.990 -11.784 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.625 5.201 -13.819 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.546 4.823 -12.344 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.623 3.545 -13.169 1.00 0.00 H new ATOM 292 N GLY A 22 -1.052 3.475 -13.319 1.00 0.00 N ATOM 293 CA GLY A 22 -2.237 3.148 -14.091 1.00 0.00 C ATOM 294 C GLY A 22 -3.467 3.888 -13.607 1.00 0.00 C ATOM 295 O GLY A 22 -4.198 4.479 -14.403 1.00 0.00 O ATOM 0 H GLY A 22 -0.409 2.697 -13.171 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.061 3.388 -15.140 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.418 2.074 -14.036 1.00 0.00 H new ATOM 299 N TYR A 23 -3.697 3.857 -12.299 1.00 0.00 N ATOM 300 CA TYR A 23 -4.851 4.527 -11.711 1.00 0.00 C ATOM 301 C TYR A 23 -4.742 6.040 -11.871 1.00 0.00 C ATOM 302 O TYR A 23 -3.863 6.689 -11.304 1.00 0.00 O ATOM 303 CB TYR A 23 -4.975 4.166 -10.229 1.00 0.00 C ATOM 304 CG TYR A 23 -5.285 2.707 -9.984 1.00 0.00 C ATOM 305 CD1 TYR A 23 -6.571 2.211 -10.159 1.00 0.00 C ATOM 306 CD2 TYR A 23 -4.291 1.824 -9.578 1.00 0.00 C ATOM 307 CE1 TYR A 23 -6.859 0.878 -9.935 1.00 0.00 C ATOM 308 CE2 TYR A 23 -4.570 0.491 -9.355 1.00 0.00 C ATOM 309 CZ TYR A 23 -5.855 0.022 -9.535 1.00 0.00 C ATOM 310 OH TYR A 23 -6.137 -1.306 -9.311 1.00 0.00 O ATOM 0 H TYR A 23 -3.100 3.376 -11.626 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.744 4.188 -12.237 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.044 4.421 -9.723 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.759 4.776 -9.780 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.359 2.878 -10.475 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.284 2.187 -9.435 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.865 0.509 -10.072 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.786 -0.182 -9.041 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.105 -1.449 -9.370 1.00 0.00 H new ATOM 320 N PRO A 24 -5.659 6.617 -12.661 1.00 0.00 N ATOM 321 CA PRO A 24 -5.690 8.062 -12.914 1.00 0.00 C ATOM 322 C PRO A 24 -6.108 8.857 -11.682 1.00 0.00 C ATOM 323 O PRO A 24 -5.619 9.962 -11.451 1.00 0.00 O ATOM 324 CB PRO A 24 -6.734 8.205 -14.024 1.00 0.00 C ATOM 325 CG PRO A 24 -7.620 7.017 -13.866 1.00 0.00 C ATOM 326 CD PRO A 24 -6.737 5.907 -13.369 1.00 0.00 C ATOM 0 HA PRO A 24 -4.708 8.451 -13.182 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.295 9.134 -13.922 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.266 8.222 -15.008 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.425 7.221 -13.160 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.087 6.750 -14.814 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.276 5.232 -12.705 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.349 5.304 -14.190 1.00 0.00 H new ATOM 334 N ASN A 25 -7.015 8.287 -10.895 1.00 0.00 N ATOM 335 CA ASN A 25 -7.499 8.945 -9.687 1.00 0.00 C ATOM 336 C ASN A 25 -6.604 8.617 -8.495 1.00 0.00 C ATOM 337 O ASN A 25 -7.032 8.701 -7.343 1.00 0.00 O ATOM 338 CB ASN A 25 -8.938 8.519 -9.391 1.00 0.00 C ATOM 339 CG ASN A 25 -9.955 9.370 -10.126 1.00 0.00 C ATOM 340 OD1 ASN A 25 -9.728 10.556 -10.371 1.00 0.00 O ATOM 341 ND2 ASN A 25 -11.083 8.768 -10.484 1.00 0.00 N ATOM 0 H ASN A 25 -7.429 7.372 -11.072 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.473 10.022 -9.854 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.070 7.475 -9.673 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.120 8.585 -8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.804 9.290 -10.983 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.229 7.784 -10.260 1.00 0.00 H new ATOM 348 N VAL A 26 -5.361 8.242 -8.779 1.00 0.00 N ATOM 349 CA VAL A 26 -4.406 7.903 -7.731 1.00 0.00 C ATOM 350 C VAL A 26 -3.029 8.480 -8.035 1.00 0.00 C ATOM 351 O VAL A 26 -2.402 8.124 -9.032 1.00 0.00 O ATOM 352 CB VAL A 26 -4.285 6.378 -7.554 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.267 6.045 -6.473 1.00 0.00 C ATOM 354 CG2 VAL A 26 -5.640 5.770 -7.227 1.00 0.00 C ATOM 0 H VAL A 26 -4.992 8.165 -9.727 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.783 8.339 -6.806 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.937 5.947 -8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.195 4.963 -6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.293 6.447 -6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.582 6.487 -5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.535 4.692 -7.105 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.020 6.204 -6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.337 5.977 -8.039 1.00 0.00 H new ATOM 364 N ASN A 27 -2.562 9.372 -7.168 1.00 0.00 N ATOM 365 CA ASN A 27 -1.256 9.999 -7.344 1.00 0.00 C ATOM 366 C ASN A 27 -0.423 9.886 -6.071 1.00 0.00 C ATOM 367 O ASN A 27 -0.662 10.596 -5.093 1.00 0.00 O ATOM 368 CB ASN A 27 -1.422 11.471 -7.729 1.00 0.00 C ATOM 369 CG ASN A 27 -2.601 11.697 -8.656 1.00 0.00 C ATOM 370 OD1 ASN A 27 -2.866 10.890 -9.548 1.00 0.00 O ATOM 371 ND2 ASN A 27 -3.314 12.796 -8.448 1.00 0.00 N ATOM 0 H ASN A 27 -3.068 9.677 -6.337 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.735 9.477 -8.146 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.554 12.067 -6.826 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.511 11.822 -8.213 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.119 13.001 -9.039 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.057 13.436 -7.697 1.00 0.00 H new ATOM 378 N VAL A 28 0.559 8.990 -6.091 1.00 0.00 N ATOM 379 CA VAL A 28 1.430 8.785 -4.940 1.00 0.00 C ATOM 380 C VAL A 28 2.578 9.788 -4.934 1.00 0.00 C ATOM 381 O VAL A 28 3.699 9.468 -5.335 1.00 0.00 O ATOM 382 CB VAL A 28 2.010 7.358 -4.922 1.00 0.00 C ATOM 383 CG1 VAL A 28 2.821 7.126 -3.656 1.00 0.00 C ATOM 384 CG2 VAL A 28 0.895 6.329 -5.046 1.00 0.00 C ATOM 0 H VAL A 28 0.771 8.395 -6.892 1.00 0.00 H new ATOM 0 HA VAL A 28 0.818 8.932 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 28 2.676 7.245 -5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.222 6.113 -3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.642 7.841 -3.614 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.180 7.258 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.322 5.326 -5.032 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.203 6.441 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.361 6.482 -5.984 1.00 0.00 H new ATOM 394 N HIS A 29 2.294 11.002 -4.476 1.00 0.00 N ATOM 395 CA HIS A 29 3.303 12.053 -4.418 1.00 0.00 C ATOM 396 C HIS A 29 3.877 12.178 -3.009 1.00 0.00 C ATOM 397 O HIS A 29 5.048 12.510 -2.831 1.00 0.00 O ATOM 398 CB HIS A 29 2.706 13.390 -4.857 1.00 0.00 C ATOM 399 CG HIS A 29 3.732 14.390 -5.294 1.00 0.00 C ATOM 400 ND1 HIS A 29 4.285 14.396 -6.557 1.00 0.00 N ATOM 401 CD2 HIS A 29 4.303 15.422 -4.630 1.00 0.00 C ATOM 402 CE1 HIS A 29 5.153 15.388 -6.649 1.00 0.00 C ATOM 403 NE2 HIS A 29 5.182 16.026 -5.493 1.00 0.00 N ATOM 0 H HIS A 29 1.373 11.283 -4.139 1.00 0.00 H new ATOM 0 HA HIS A 29 4.110 11.784 -5.099 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.009 13.216 -5.676 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.130 13.810 -4.032 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.104 15.716 -3.610 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.739 15.635 -7.522 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.763 16.836 -5.277 1.00 0.00 H new ATOM 412 N ASN A 30 3.043 11.908 -2.010 1.00 0.00 N ATOM 413 CA ASN A 30 3.466 11.991 -0.617 1.00 0.00 C ATOM 414 C ASN A 30 3.228 10.667 0.104 1.00 0.00 C ATOM 415 O ASN A 30 2.770 9.695 -0.497 1.00 0.00 O ATOM 416 CB ASN A 30 2.717 13.116 0.099 1.00 0.00 C ATOM 417 CG ASN A 30 1.333 13.348 -0.476 1.00 0.00 C ATOM 418 OD1 ASN A 30 0.441 12.387 -0.275 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 1.072 14.379 -1.095 1.00 0.00 N flip ATOM 0 H ASN A 30 2.070 11.630 -2.139 1.00 0.00 H new ATOM 0 HA ASN A 30 4.534 12.207 -0.600 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.631 12.875 1.158 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.296 14.037 0.028 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.790 15.091 -1.225 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.137 14.521 -1.478 1.00 0.00 H new ATOM 426 N PHE A 31 3.541 10.638 1.395 1.00 0.00 N ATOM 427 CA PHE A 31 3.362 9.434 2.198 1.00 0.00 C ATOM 428 C PHE A 31 2.455 9.709 3.395 1.00 0.00 C ATOM 429 O PHE A 31 2.530 9.025 4.416 1.00 0.00 O ATOM 430 CB PHE A 31 4.715 8.910 2.680 1.00 0.00 C ATOM 431 CG PHE A 31 5.400 8.016 1.686 1.00 0.00 C ATOM 432 CD1 PHE A 31 4.733 6.935 1.132 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.711 8.256 1.305 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.361 6.111 0.218 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.344 7.435 0.392 1.00 0.00 C ATOM 436 CZ PHE A 31 6.668 6.361 -0.154 1.00 0.00 C ATOM 0 H PHE A 31 3.920 11.434 1.908 1.00 0.00 H new ATOM 0 HA PHE A 31 2.890 8.677 1.572 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.365 9.756 2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.573 8.362 3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.711 6.734 1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.244 9.095 1.727 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.830 5.271 -0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.366 7.633 0.105 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.160 5.719 -0.870 1.00 0.00 H new ATOM 446 N THR A 32 1.598 10.717 3.261 1.00 0.00 N ATOM 447 CA THR A 32 0.679 11.084 4.330 1.00 0.00 C ATOM 448 C THR A 32 -0.739 11.264 3.798 1.00 0.00 C ATOM 449 O THR A 32 -1.626 10.458 4.081 1.00 0.00 O ATOM 450 CB THR A 32 1.120 12.383 5.029 1.00 0.00 C ATOM 451 OG1 THR A 32 1.590 13.327 4.059 1.00 0.00 O ATOM 452 CG2 THR A 32 2.216 12.105 6.047 1.00 0.00 C ATOM 0 H THR A 32 1.522 11.293 2.423 1.00 0.00 H new ATOM 0 HA THR A 32 0.693 10.268 5.053 1.00 0.00 H new ATOM 0 HB THR A 32 0.258 12.799 5.551 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.867 14.151 4.512 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.511 13.038 6.528 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.845 11.410 6.800 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.078 11.668 5.543 1.00 0.00 H new ATOM 460 N THR A 33 -0.946 12.325 3.026 1.00 0.00 N ATOM 461 CA THR A 33 -2.257 12.610 2.454 1.00 0.00 C ATOM 462 C THR A 33 -2.548 11.700 1.266 1.00 0.00 C ATOM 463 O THR A 33 -3.593 11.816 0.626 1.00 0.00 O ATOM 464 CB THR A 33 -2.364 14.078 2.000 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.359 14.363 1.020 1.00 0.00 O ATOM 466 CG2 THR A 33 -2.209 15.022 3.183 1.00 0.00 C ATOM 0 H THR A 33 -0.223 13.002 2.782 1.00 0.00 H new ATOM 0 HA THR A 33 -2.991 12.425 3.238 1.00 0.00 H new ATOM 0 HB THR A 33 -3.350 14.229 1.561 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.888 13.537 0.785 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.288 16.053 2.838 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.993 14.822 3.913 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.234 14.868 3.646 1.00 0.00 H new ATOM 474 N SER A 34 -1.620 10.795 0.978 1.00 0.00 N ATOM 475 CA SER A 34 -1.776 9.866 -0.136 1.00 0.00 C ATOM 476 C SER A 34 -2.381 8.548 0.337 1.00 0.00 C ATOM 477 O SER A 34 -2.913 7.776 -0.460 1.00 0.00 O ATOM 478 CB SER A 34 -0.425 9.609 -0.807 1.00 0.00 C ATOM 479 OG SER A 34 -0.199 10.525 -1.864 1.00 0.00 O ATOM 0 H SER A 34 -0.751 10.684 1.500 1.00 0.00 H new ATOM 0 HA SER A 34 -2.453 10.317 -0.861 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.373 9.695 -0.070 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.394 8.590 -1.192 1.00 0.00 H new ATOM 0 HG SER A 34 -0.094 11.428 -1.498 1.00 0.00 H new ATOM 485 N TRP A 35 -2.295 8.299 1.638 1.00 0.00 N ATOM 486 CA TRP A 35 -2.834 7.073 2.219 1.00 0.00 C ATOM 487 C TRP A 35 -3.834 7.390 3.326 1.00 0.00 C ATOM 488 O TRP A 35 -4.106 6.552 4.186 1.00 0.00 O ATOM 489 CB TRP A 35 -1.702 6.205 2.770 1.00 0.00 C ATOM 490 CG TRP A 35 -0.502 6.153 1.873 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.399 7.154 1.650 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.077 5.042 1.076 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.360 6.732 0.764 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.092 5.440 0.397 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.566 3.749 0.872 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.774 4.592 -0.472 1.00 0.00 C ATOM 497 CZ3 TRP A 35 0.112 2.909 0.009 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.272 3.332 -0.652 1.00 0.00 C ATOM 0 H TRP A 35 -1.858 8.928 2.311 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.353 6.524 1.433 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.401 6.589 3.745 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.074 5.192 2.927 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.362 8.133 2.103 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.146 7.291 0.433 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.458 3.412 1.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.667 4.917 -0.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.259 1.909 -0.159 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.781 2.650 -1.317 1.00 0.00 H new ATOM 509 N ARG A 36 -4.378 8.602 3.298 1.00 0.00 N ATOM 510 CA ARG A 36 -5.347 9.028 4.301 1.00 0.00 C ATOM 511 C ARG A 36 -6.726 8.445 4.004 1.00 0.00 C ATOM 512 O ARG A 36 -7.420 7.976 4.907 1.00 0.00 O ATOM 513 CB ARG A 36 -5.426 10.554 4.348 1.00 0.00 C ATOM 514 CG ARG A 36 -6.559 11.079 5.215 1.00 0.00 C ATOM 515 CD ARG A 36 -7.073 12.418 4.709 1.00 0.00 C ATOM 516 NE ARG A 36 -8.118 12.258 3.701 1.00 0.00 N ATOM 517 CZ ARG A 36 -8.651 13.272 3.028 1.00 0.00 C ATOM 518 NH1 ARG A 36 -8.237 14.512 3.252 1.00 0.00 N ATOM 519 NH2 ARG A 36 -9.599 13.046 2.127 1.00 0.00 N ATOM 0 H ARG A 36 -4.164 9.306 2.592 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.016 8.659 5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.481 10.947 4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.550 10.934 3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.375 10.356 5.227 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.213 11.186 6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.463 12.997 5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.245 12.987 4.286 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.457 11.317 3.503 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.507 14.689 3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.648 15.288 2.734 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.919 12.094 1.951 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.008 13.825 1.611 1.00 0.00 H new ATOM 533 N ASP A 37 -7.117 8.480 2.735 1.00 0.00 N ATOM 534 CA ASP A 37 -8.413 7.955 2.320 1.00 0.00 C ATOM 535 C ASP A 37 -8.417 6.429 2.349 1.00 0.00 C ATOM 536 O ASP A 37 -9.204 5.814 3.067 1.00 0.00 O ATOM 537 CB ASP A 37 -8.762 8.451 0.916 1.00 0.00 C ATOM 538 CG ASP A 37 -7.607 8.299 -0.055 1.00 0.00 C ATOM 539 OD1 ASP A 37 -6.678 9.131 -0.005 1.00 0.00 O ATOM 540 OD2 ASP A 37 -7.635 7.349 -0.866 1.00 0.00 O ATOM 0 H ASP A 37 -6.556 8.866 1.976 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.165 8.316 3.022 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.623 7.897 0.542 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.055 9.500 0.967 1.00 0.00 H new ATOM 545 N GLY A 38 -7.530 5.824 1.564 1.00 0.00 N ATOM 546 CA GLY A 38 -7.449 4.376 1.514 1.00 0.00 C ATOM 547 C GLY A 38 -7.183 3.859 0.115 1.00 0.00 C ATOM 548 O GLY A 38 -6.446 2.889 -0.068 1.00 0.00 O ATOM 0 H GLY A 38 -6.866 6.311 0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.656 4.036 2.181 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.381 3.950 1.884 1.00 0.00 H new ATOM 552 N LEU A 39 -7.785 4.505 -0.878 1.00 0.00 N ATOM 553 CA LEU A 39 -7.611 4.103 -2.269 1.00 0.00 C ATOM 554 C LEU A 39 -6.195 3.595 -2.517 1.00 0.00 C ATOM 555 O LEU A 39 -5.996 2.439 -2.890 1.00 0.00 O ATOM 556 CB LEU A 39 -7.914 5.278 -3.202 1.00 0.00 C ATOM 557 CG LEU A 39 -9.380 5.702 -3.292 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.532 6.901 -4.215 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.242 4.544 -3.772 1.00 0.00 C ATOM 0 H LEU A 39 -8.398 5.309 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.309 3.292 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.328 6.137 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.569 5.019 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.717 5.990 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.582 7.189 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.946 7.735 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.177 6.640 -5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.282 4.864 -3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.905 4.224 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.157 3.713 -3.072 1.00 0.00 H new ATOM 571 N ALA A 40 -5.213 4.465 -2.303 1.00 0.00 N ATOM 572 CA ALA A 40 -3.815 4.103 -2.499 1.00 0.00 C ATOM 573 C ALA A 40 -3.568 2.646 -2.125 1.00 0.00 C ATOM 574 O ALA A 40 -3.097 1.856 -2.944 1.00 0.00 O ATOM 575 CB ALA A 40 -2.914 5.019 -1.684 1.00 0.00 C ATOM 0 H ALA A 40 -5.360 5.426 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.578 4.225 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.873 4.737 -1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.062 6.051 -2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.161 4.925 -0.626 1.00 0.00 H new ATOM 581 N PHE A 41 -3.889 2.295 -0.884 1.00 0.00 N ATOM 582 CA PHE A 41 -3.700 0.933 -0.401 1.00 0.00 C ATOM 583 C PHE A 41 -4.537 -0.052 -1.211 1.00 0.00 C ATOM 584 O PHE A 41 -4.065 -1.126 -1.583 1.00 0.00 O ATOM 585 CB PHE A 41 -4.071 0.838 1.080 1.00 0.00 C ATOM 586 CG PHE A 41 -3.024 1.399 1.999 1.00 0.00 C ATOM 587 CD1 PHE A 41 -1.739 0.882 2.003 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.325 2.442 2.859 1.00 0.00 C ATOM 589 CE1 PHE A 41 -0.772 1.396 2.846 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.363 2.960 3.705 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.085 2.436 3.699 1.00 0.00 C ATOM 0 H PHE A 41 -4.282 2.936 -0.194 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.648 0.674 -0.522 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.009 1.367 1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.245 -0.207 1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.490 0.067 1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.323 2.855 2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.227 0.985 2.838 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.610 3.774 4.370 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.332 2.839 4.360 1.00 0.00 H new ATOM 601 N ASN A 42 -5.783 0.321 -1.482 1.00 0.00 N ATOM 602 CA ASN A 42 -6.688 -0.529 -2.247 1.00 0.00 C ATOM 603 C ASN A 42 -6.309 -0.534 -3.725 1.00 0.00 C ATOM 604 O ASN A 42 -6.984 -1.153 -4.546 1.00 0.00 O ATOM 605 CB ASN A 42 -8.132 -0.052 -2.080 1.00 0.00 C ATOM 606 CG ASN A 42 -8.586 -0.078 -0.633 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.732 -1.144 -0.035 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.811 1.100 -0.063 1.00 0.00 N ATOM 0 H ASN A 42 -6.190 1.207 -1.183 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.603 -1.546 -1.865 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.224 0.962 -2.469 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.791 -0.683 -2.676 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.118 1.146 0.909 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.677 1.959 -0.597 1.00 0.00 H new ATOM 615 N ALA A 43 -5.226 0.162 -4.055 1.00 0.00 N ATOM 616 CA ALA A 43 -4.756 0.235 -5.433 1.00 0.00 C ATOM 617 C ALA A 43 -3.605 -0.736 -5.673 1.00 0.00 C ATOM 618 O ALA A 43 -3.493 -1.324 -6.749 1.00 0.00 O ATOM 619 CB ALA A 43 -4.329 1.656 -5.769 1.00 0.00 C ATOM 0 H ALA A 43 -4.658 0.683 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.579 -0.050 -6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.980 1.697 -6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.177 2.330 -5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.523 1.961 -5.101 1.00 0.00 H new ATOM 625 N ILE A 44 -2.754 -0.899 -4.666 1.00 0.00 N ATOM 626 CA ILE A 44 -1.613 -1.800 -4.769 1.00 0.00 C ATOM 627 C ILE A 44 -2.066 -3.251 -4.880 1.00 0.00 C ATOM 628 O ILE A 44 -1.635 -3.981 -5.773 1.00 0.00 O ATOM 629 CB ILE A 44 -0.674 -1.658 -3.557 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.154 -0.223 -3.451 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.484 -2.640 -3.666 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.447 0.104 -2.102 1.00 0.00 C ATOM 0 H ILE A 44 -2.833 -0.419 -3.770 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.071 -1.522 -5.673 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.237 -1.888 -2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.597 -0.059 -4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.973 0.467 -3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.139 -2.528 -2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.096 -3.658 -3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.047 -2.438 -4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.795 1.137 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.307 -0.027 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.288 -0.562 -1.907 1.00 0.00 H new ATOM 644 N VAL A 45 -2.942 -3.664 -3.968 1.00 0.00 N ATOM 645 CA VAL A 45 -3.456 -5.027 -3.965 1.00 0.00 C ATOM 646 C VAL A 45 -4.247 -5.320 -5.236 1.00 0.00 C ATOM 647 O VAL A 45 -3.880 -6.195 -6.020 1.00 0.00 O ATOM 648 CB VAL A 45 -4.358 -5.285 -2.742 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.898 -6.706 -2.767 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.595 -5.017 -1.453 1.00 0.00 C ATOM 0 H VAL A 45 -3.310 -3.073 -3.222 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.592 -5.690 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.205 -4.600 -2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.532 -6.869 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.482 -6.857 -3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.067 -7.411 -2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.246 -5.204 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.728 -5.676 -1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.263 -3.979 -1.436 1.00 0.00 H new ATOM 660 N HIS A 46 -5.333 -4.579 -5.433 1.00 0.00 N ATOM 661 CA HIS A 46 -6.177 -4.758 -6.610 1.00 0.00 C ATOM 662 C HIS A 46 -5.339 -5.151 -7.823 1.00 0.00 C ATOM 663 O HIS A 46 -5.546 -6.210 -8.417 1.00 0.00 O ATOM 664 CB HIS A 46 -6.953 -3.475 -6.907 1.00 0.00 C ATOM 665 CG HIS A 46 -8.092 -3.671 -7.859 1.00 0.00 C ATOM 666 ND1 HIS A 46 -8.345 -2.821 -8.915 1.00 0.00 N ATOM 667 CD2 HIS A 46 -9.049 -4.627 -7.911 1.00 0.00 C ATOM 668 CE1 HIS A 46 -9.407 -3.245 -9.575 1.00 0.00 C ATOM 669 NE2 HIS A 46 -9.853 -4.340 -8.985 1.00 0.00 N ATOM 0 H HIS A 46 -5.649 -3.850 -4.794 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.884 -5.561 -6.402 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.338 -3.068 -5.972 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.269 -2.734 -7.320 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.159 -5.461 -7.233 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.838 -2.777 -10.448 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.664 -4.884 -9.280 1.00 0.00 H new ATOM 678 N LYS A 47 -4.393 -4.293 -8.187 1.00 0.00 N ATOM 679 CA LYS A 47 -3.524 -4.551 -9.329 1.00 0.00 C ATOM 680 C LYS A 47 -2.989 -5.978 -9.295 1.00 0.00 C ATOM 681 O LYS A 47 -3.046 -6.697 -10.293 1.00 0.00 O ATOM 682 CB LYS A 47 -2.358 -3.558 -9.342 1.00 0.00 C ATOM 683 CG LYS A 47 -1.902 -3.176 -10.740 1.00 0.00 C ATOM 684 CD LYS A 47 -2.645 -1.953 -11.253 1.00 0.00 C ATOM 685 CE LYS A 47 -1.893 -0.670 -10.936 1.00 0.00 C ATOM 686 NZ LYS A 47 -2.421 0.488 -11.711 1.00 0.00 N ATOM 0 H LYS A 47 -4.208 -3.412 -7.707 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.113 -4.425 -10.238 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.653 -2.656 -8.806 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.517 -3.990 -8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.831 -2.976 -10.732 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.065 -4.013 -11.419 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.785 -2.037 -12.331 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.638 -1.914 -10.804 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.969 -0.458 -9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.835 -0.805 -11.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.666 1.192 -11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.753 0.161 -12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.212 0.921 -11.193 1.00 0.00 H new ATOM 700 N HIS A 48 -2.471 -6.384 -8.141 1.00 0.00 N ATOM 701 CA HIS A 48 -1.928 -7.728 -7.976 1.00 0.00 C ATOM 702 C HIS A 48 -3.030 -8.777 -8.093 1.00 0.00 C ATOM 703 O HIS A 48 -2.928 -9.712 -8.887 1.00 0.00 O ATOM 704 CB HIS A 48 -1.228 -7.856 -6.623 1.00 0.00 C ATOM 705 CG HIS A 48 -0.159 -6.831 -6.403 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.121 -6.061 -5.325 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 0.775 -6.498 -7.363 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 1.207 -5.285 -5.649 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.583 -5.569 -6.884 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.416 -5.802 -7.305 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.201 -7.899 -8.770 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.970 -7.771 -5.830 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.789 -8.850 -6.543 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.381 -6.058 -4.437 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.836 -6.929 -8.351 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.677 -4.561 -5.000 1.00 0.00 H new ATOM 718 N ARG A 49 -4.081 -8.615 -7.296 1.00 0.00 N ATOM 719 CA ARG A 49 -5.201 -9.549 -7.309 1.00 0.00 C ATOM 720 C ARG A 49 -6.530 -8.803 -7.367 1.00 0.00 C ATOM 721 O ARG A 49 -7.109 -8.433 -6.345 1.00 0.00 O ATOM 722 CB ARG A 49 -5.160 -10.444 -6.069 1.00 0.00 C ATOM 723 CG ARG A 49 -3.845 -11.186 -5.896 1.00 0.00 C ATOM 724 CD ARG A 49 -3.725 -12.342 -6.877 1.00 0.00 C ATOM 725 NE ARG A 49 -4.385 -13.547 -6.385 1.00 0.00 N ATOM 726 CZ ARG A 49 -4.124 -14.767 -6.843 1.00 0.00 C ATOM 727 NH1 ARG A 49 -3.220 -14.942 -7.797 1.00 0.00 N ATOM 728 NH2 ARG A 49 -4.767 -15.815 -6.344 1.00 0.00 N ATOM 0 H ARG A 49 -4.181 -7.846 -6.633 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.114 -10.170 -8.200 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.342 -9.833 -5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.972 -11.169 -6.128 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.014 -10.496 -6.042 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.770 -11.563 -4.876 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.163 -12.053 -7.833 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.672 -12.554 -7.060 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.085 -13.447 -5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.722 -14.139 -8.182 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.022 -15.880 -8.146 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.462 -15.684 -5.609 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.567 -16.751 -6.696 1.00 0.00 H new ATOM 742 N PRO A 50 -7.029 -8.575 -8.592 1.00 0.00 N ATOM 743 CA PRO A 50 -8.295 -7.872 -8.813 1.00 0.00 C ATOM 744 C PRO A 50 -9.500 -8.694 -8.369 1.00 0.00 C ATOM 745 O PRO A 50 -10.646 -8.274 -8.535 1.00 0.00 O ATOM 746 CB PRO A 50 -8.322 -7.659 -10.329 1.00 0.00 C ATOM 747 CG PRO A 50 -7.467 -8.746 -10.880 1.00 0.00 C ATOM 748 CD PRO A 50 -6.394 -8.988 -9.855 1.00 0.00 C ATOM 0 HA PRO A 50 -8.354 -6.948 -8.238 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.338 -7.719 -10.719 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.935 -6.676 -10.598 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.050 -9.650 -11.056 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.034 -8.455 -11.837 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.092 -10.035 -9.829 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.499 -8.403 -10.065 1.00 0.00 H new ATOM 756 N ASP A 51 -9.235 -9.866 -7.804 1.00 0.00 N ATOM 757 CA ASP A 51 -10.298 -10.747 -7.335 1.00 0.00 C ATOM 758 C ASP A 51 -10.648 -10.448 -5.880 1.00 0.00 C ATOM 759 O ASP A 51 -11.818 -10.469 -5.496 1.00 0.00 O ATOM 760 CB ASP A 51 -9.878 -12.211 -7.480 1.00 0.00 C ATOM 761 CG ASP A 51 -9.957 -12.695 -8.915 1.00 0.00 C ATOM 762 OD1 ASP A 51 -11.084 -12.801 -9.444 1.00 0.00 O ATOM 763 OD2 ASP A 51 -8.893 -12.967 -9.508 1.00 0.00 O ATOM 0 H ASP A 51 -8.293 -10.229 -7.659 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.181 -10.568 -7.948 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.858 -12.332 -7.114 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.517 -12.833 -6.854 1.00 0.00 H new ATOM 768 N LEU A 52 -9.628 -10.170 -5.076 1.00 0.00 N ATOM 769 CA LEU A 52 -9.828 -9.869 -3.663 1.00 0.00 C ATOM 770 C LEU A 52 -10.797 -8.704 -3.487 1.00 0.00 C ATOM 771 O LEU A 52 -11.861 -8.855 -2.885 1.00 0.00 O ATOM 772 CB LEU A 52 -8.490 -9.538 -2.998 1.00 0.00 C ATOM 773 CG LEU A 52 -7.376 -10.568 -3.183 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.107 -10.115 -2.477 1.00 0.00 C ATOM 775 CD2 LEU A 52 -7.818 -11.930 -2.667 1.00 0.00 C ATOM 0 H LEU A 52 -8.654 -10.147 -5.378 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.257 -10.750 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.141 -8.581 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.661 -9.405 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.163 -10.657 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.325 -10.861 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.780 -9.162 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.306 -9.997 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.013 -12.651 -2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.059 -11.857 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.699 -12.259 -3.218 1.00 0.00 H new ATOM 787 N LEU A 53 -10.424 -7.545 -4.017 1.00 0.00 N ATOM 788 CA LEU A 53 -11.262 -6.355 -3.921 1.00 0.00 C ATOM 789 C LEU A 53 -11.592 -5.808 -5.305 1.00 0.00 C ATOM 790 O LEU A 53 -11.025 -6.244 -6.307 1.00 0.00 O ATOM 791 CB LEU A 53 -10.560 -5.279 -3.089 1.00 0.00 C ATOM 792 CG LEU A 53 -9.269 -4.710 -3.679 1.00 0.00 C ATOM 793 CD1 LEU A 53 -8.916 -3.388 -3.015 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.129 -5.707 -3.528 1.00 0.00 C ATOM 0 H LEU A 53 -9.547 -7.404 -4.518 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.194 -6.636 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.258 -4.456 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.334 -5.697 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.427 -4.528 -4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.995 -2.998 -3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.723 -2.673 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.777 -3.544 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.218 -5.285 -3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.971 -5.921 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.381 -6.629 -4.051 1.00 0.00 H new ATOM 806 N ASP A 54 -12.511 -4.849 -5.353 1.00 0.00 N ATOM 807 CA ASP A 54 -12.914 -4.240 -6.616 1.00 0.00 C ATOM 808 C ASP A 54 -12.827 -2.720 -6.537 1.00 0.00 C ATOM 809 O ASP A 54 -13.753 -2.057 -6.069 1.00 0.00 O ATOM 810 CB ASP A 54 -14.338 -4.663 -6.979 1.00 0.00 C ATOM 811 CG ASP A 54 -14.563 -6.152 -6.800 1.00 0.00 C ATOM 812 OD1 ASP A 54 -14.055 -6.933 -7.632 1.00 0.00 O ATOM 813 OD2 ASP A 54 -15.248 -6.537 -5.829 1.00 0.00 O ATOM 0 H ASP A 54 -12.990 -4.477 -4.533 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.232 -4.586 -7.392 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.046 -4.114 -6.358 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.543 -4.389 -8.014 1.00 0.00 H new ATOM 818 N PHE A 55 -11.707 -2.171 -6.998 1.00 0.00 N ATOM 819 CA PHE A 55 -11.497 -0.728 -6.978 1.00 0.00 C ATOM 820 C PHE A 55 -12.751 0.010 -7.439 1.00 0.00 C ATOM 821 O PHE A 55 -13.148 1.010 -6.844 1.00 0.00 O ATOM 822 CB PHE A 55 -10.313 -0.352 -7.870 1.00 0.00 C ATOM 823 CG PHE A 55 -9.581 0.875 -7.407 1.00 0.00 C ATOM 824 CD1 PHE A 55 -8.771 0.832 -6.282 1.00 0.00 C ATOM 825 CD2 PHE A 55 -9.700 2.071 -8.096 1.00 0.00 C ATOM 826 CE1 PHE A 55 -8.096 1.959 -5.854 1.00 0.00 C ATOM 827 CE2 PHE A 55 -9.027 3.202 -7.672 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.224 3.146 -6.549 1.00 0.00 C ATOM 0 H PHE A 55 -10.931 -2.704 -7.390 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.279 -0.431 -5.952 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.616 -1.189 -7.907 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.671 -0.190 -8.887 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.667 -0.093 -5.734 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.326 2.121 -8.975 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.468 1.912 -4.976 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.129 4.128 -8.218 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.698 4.028 -6.215 1.00 0.00 H new ATOM 838 N GLU A 56 -13.367 -0.492 -8.505 1.00 0.00 N ATOM 839 CA GLU A 56 -14.574 0.120 -9.047 1.00 0.00 C ATOM 840 C GLU A 56 -15.699 0.113 -8.016 1.00 0.00 C ATOM 841 O GLU A 56 -16.519 1.030 -7.969 1.00 0.00 O ATOM 842 CB GLU A 56 -15.022 -0.616 -10.312 1.00 0.00 C ATOM 843 CG GLU A 56 -14.064 -0.458 -11.481 1.00 0.00 C ATOM 844 CD GLU A 56 -14.269 0.842 -12.232 1.00 0.00 C ATOM 845 OE1 GLU A 56 -15.379 1.409 -12.144 1.00 0.00 O ATOM 846 OE2 GLU A 56 -13.322 1.294 -12.909 1.00 0.00 O ATOM 0 H GLU A 56 -13.050 -1.320 -9.010 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.343 1.155 -9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.133 -1.676 -10.085 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.005 -0.249 -10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.039 -0.503 -11.114 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.194 -1.294 -12.168 1.00 0.00 H new ATOM 853 N SER A 57 -15.730 -0.929 -7.191 1.00 0.00 N ATOM 854 CA SER A 57 -16.756 -1.058 -6.162 1.00 0.00 C ATOM 855 C SER A 57 -16.514 -0.070 -5.026 1.00 0.00 C ATOM 856 O SER A 57 -17.443 0.580 -4.545 1.00 0.00 O ATOM 857 CB SER A 57 -16.781 -2.486 -5.615 1.00 0.00 C ATOM 858 OG SER A 57 -17.814 -2.649 -4.659 1.00 0.00 O ATOM 0 H SER A 57 -15.057 -1.695 -7.215 1.00 0.00 H new ATOM 0 HA SER A 57 -17.721 -0.833 -6.615 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.926 -3.190 -6.435 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.819 -2.721 -5.159 1.00 0.00 H new ATOM 0 HG SER A 57 -17.809 -3.571 -4.326 1.00 0.00 H new ATOM 864 N LEU A 58 -15.260 0.039 -4.602 1.00 0.00 N ATOM 865 CA LEU A 58 -14.893 0.949 -3.521 1.00 0.00 C ATOM 866 C LEU A 58 -15.504 2.329 -3.741 1.00 0.00 C ATOM 867 O LEU A 58 -15.738 2.742 -4.878 1.00 0.00 O ATOM 868 CB LEU A 58 -13.372 1.061 -3.418 1.00 0.00 C ATOM 869 CG LEU A 58 -12.611 -0.253 -3.243 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.110 -0.007 -3.254 1.00 0.00 C ATOM 871 CD2 LEU A 58 -13.031 -0.944 -1.954 1.00 0.00 C ATOM 0 H LEU A 58 -14.480 -0.491 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.285 0.544 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.003 1.554 -4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.132 1.711 -2.577 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.857 -0.907 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.585 -0.954 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.822 0.444 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.846 0.666 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.479 -1.878 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.815 -0.294 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.100 -1.156 -1.986 1.00 0.00 H new ATOM 883 N LYS A 59 -15.757 3.039 -2.647 1.00 0.00 N ATOM 884 CA LYS A 59 -16.336 4.375 -2.719 1.00 0.00 C ATOM 885 C LYS A 59 -15.447 5.393 -2.014 1.00 0.00 C ATOM 886 O LYS A 59 -14.920 5.129 -0.932 1.00 0.00 O ATOM 887 CB LYS A 59 -17.733 4.383 -2.093 1.00 0.00 C ATOM 888 CG LYS A 59 -18.765 3.614 -2.900 1.00 0.00 C ATOM 889 CD LYS A 59 -19.294 4.441 -4.060 1.00 0.00 C ATOM 890 CE LYS A 59 -20.386 3.703 -4.818 1.00 0.00 C ATOM 891 NZ LYS A 59 -21.637 3.590 -4.019 1.00 0.00 N ATOM 0 H LYS A 59 -15.570 2.711 -1.699 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.413 4.653 -3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -17.676 3.957 -1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.066 5.415 -1.982 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.320 2.695 -3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -19.592 3.323 -2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -19.685 5.387 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -18.476 4.681 -4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.597 4.226 -5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -20.034 2.706 -5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -22.405 3.236 -4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -21.486 2.930 -3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -21.895 4.525 -3.644 1.00 0.00 H new ATOM 905 N LYS A 60 -15.283 6.558 -2.632 1.00 0.00 N ATOM 906 CA LYS A 60 -14.459 7.617 -2.063 1.00 0.00 C ATOM 907 C LYS A 60 -15.141 8.248 -0.853 1.00 0.00 C ATOM 908 O LYS A 60 -14.509 8.481 0.178 1.00 0.00 O ATOM 909 CB LYS A 60 -14.171 8.691 -3.115 1.00 0.00 C ATOM 910 CG LYS A 60 -13.262 8.216 -4.235 1.00 0.00 C ATOM 911 CD LYS A 60 -12.625 9.383 -4.969 1.00 0.00 C ATOM 912 CE LYS A 60 -13.538 9.920 -6.061 1.00 0.00 C ATOM 913 NZ LYS A 60 -13.361 9.185 -7.344 1.00 0.00 N ATOM 0 H LYS A 60 -15.711 6.792 -3.528 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.518 7.173 -1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -15.114 9.031 -3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.714 9.552 -2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.483 7.574 -3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.835 7.612 -4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.397 10.179 -4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.679 9.066 -5.408 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.576 9.841 -5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.333 10.979 -6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.001 9.581 -8.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.377 9.281 -7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.582 8.179 -7.201 1.00 0.00 H new ATOM 927 N CYS A 61 -16.435 8.518 -0.984 1.00 0.00 N ATOM 928 CA CYS A 61 -17.204 9.121 0.100 1.00 0.00 C ATOM 929 C CYS A 61 -16.777 8.554 1.450 1.00 0.00 C ATOM 930 O CYS A 61 -16.502 9.301 2.387 1.00 0.00 O ATOM 931 CB CYS A 61 -18.700 8.884 -0.116 1.00 0.00 C ATOM 932 SG CYS A 61 -19.439 9.941 -1.383 1.00 0.00 S ATOM 0 H CYS A 61 -16.974 8.329 -1.829 1.00 0.00 H new ATOM 0 HA CYS A 61 -17.009 10.193 0.099 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -18.856 7.841 -0.392 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -19.222 9.046 0.827 1.00 0.00 H new ATOM 0 HG CYS A 61 -20.704 9.665 -1.494 1.00 0.00 H new ATOM 938 N ASN A 62 -16.725 7.229 1.540 1.00 0.00 N ATOM 939 CA ASN A 62 -16.334 6.562 2.777 1.00 0.00 C ATOM 940 C ASN A 62 -14.876 6.114 2.715 1.00 0.00 C ATOM 941 O ASN A 62 -14.502 5.296 1.876 1.00 0.00 O ATOM 942 CB ASN A 62 -17.237 5.356 3.038 1.00 0.00 C ATOM 943 CG ASN A 62 -17.330 5.011 4.513 1.00 0.00 C ATOM 944 OD1 ASN A 62 -16.247 4.473 5.062 1.00 0.00 O flip ATOM 945 ND2 ASN A 62 -18.362 5.227 5.149 1.00 0.00 N flip ATOM 0 H ASN A 62 -16.948 6.596 0.772 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.444 7.274 3.595 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.235 5.563 2.652 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -16.856 4.495 2.490 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -19.170 5.642 4.685 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.409 4.991 6.140 1.00 0.00 H new ATOM 952 N ALA A 63 -14.058 6.658 3.611 1.00 0.00 N ATOM 953 CA ALA A 63 -12.643 6.313 3.661 1.00 0.00 C ATOM 954 C ALA A 63 -12.396 5.142 4.605 1.00 0.00 C ATOM 955 O ALA A 63 -11.914 4.087 4.190 1.00 0.00 O ATOM 956 CB ALA A 63 -11.821 7.520 4.088 1.00 0.00 C ATOM 0 H ALA A 63 -14.351 7.339 4.311 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.333 6.011 2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.766 7.248 4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.965 8.330 3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.143 7.848 5.077 1.00 0.00 H new ATOM 962 N HIS A 64 -12.729 5.333 5.878 1.00 0.00 N ATOM 963 CA HIS A 64 -12.543 4.290 6.881 1.00 0.00 C ATOM 964 C HIS A 64 -12.783 2.909 6.281 1.00 0.00 C ATOM 965 O HIS A 64 -11.891 2.062 6.273 1.00 0.00 O ATOM 966 CB HIS A 64 -13.487 4.517 8.063 1.00 0.00 C ATOM 967 CG HIS A 64 -13.192 3.642 9.242 1.00 0.00 C ATOM 968 ND1 HIS A 64 -13.035 2.276 9.145 1.00 0.00 N ATOM 969 CD2 HIS A 64 -13.021 3.947 10.550 1.00 0.00 C ATOM 970 CE1 HIS A 64 -12.784 1.777 10.342 1.00 0.00 C ATOM 971 NE2 HIS A 64 -12.770 2.770 11.212 1.00 0.00 N ATOM 0 H HIS A 64 -13.129 6.199 6.239 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.513 4.338 7.233 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.425 5.561 8.371 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.512 4.341 7.738 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -13.072 4.932 10.991 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.618 0.734 10.570 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -12.600 2.678 12.214 1.00 0.00 H new ATOM 980 N TYR A 65 -13.994 2.689 5.780 1.00 0.00 N ATOM 981 CA TYR A 65 -14.353 1.410 5.181 1.00 0.00 C ATOM 982 C TYR A 65 -13.300 0.968 4.169 1.00 0.00 C ATOM 983 O TYR A 65 -12.873 -0.186 4.164 1.00 0.00 O ATOM 984 CB TYR A 65 -15.720 1.505 4.503 1.00 0.00 C ATOM 985 CG TYR A 65 -15.981 0.397 3.507 1.00 0.00 C ATOM 986 CD1 TYR A 65 -16.541 -0.808 3.912 1.00 0.00 C ATOM 987 CD2 TYR A 65 -15.668 0.556 2.163 1.00 0.00 C ATOM 988 CE1 TYR A 65 -16.781 -1.824 3.007 1.00 0.00 C ATOM 989 CE2 TYR A 65 -15.906 -0.454 1.251 1.00 0.00 C ATOM 990 CZ TYR A 65 -16.463 -1.642 1.678 1.00 0.00 C ATOM 991 OH TYR A 65 -16.699 -2.651 0.772 1.00 0.00 O ATOM 0 H TYR A 65 -14.743 3.381 5.777 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.401 0.666 5.977 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.497 1.486 5.267 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.798 2.466 3.994 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.793 -0.953 4.952 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.231 1.484 1.826 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -17.215 -2.755 3.339 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.657 -0.314 0.209 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.419 -2.361 -0.121 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.886 1.896 3.312 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.883 1.604 2.295 1.00 0.00 C ATOM 1003 C ASN A 66 -10.561 1.195 2.936 1.00 0.00 C ATOM 1004 O ASN A 66 -9.856 0.322 2.427 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.671 2.823 1.394 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.597 2.823 0.194 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -13.463 1.958 0.063 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -12.418 3.797 -0.692 1.00 0.00 N ATOM 0 H ASN A 66 -13.230 2.856 3.302 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.245 0.772 1.691 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.832 3.732 1.974 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.637 2.842 1.051 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.011 3.848 -1.520 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.688 4.493 -0.544 1.00 0.00 H new ATOM 1015 N LEU A 67 -10.230 1.830 4.055 1.00 0.00 N ATOM 1016 CA LEU A 67 -8.992 1.532 4.766 1.00 0.00 C ATOM 1017 C LEU A 67 -9.033 0.130 5.366 1.00 0.00 C ATOM 1018 O LEU A 67 -8.309 -0.762 4.927 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.755 2.564 5.871 1.00 0.00 C ATOM 1020 CG LEU A 67 -8.089 3.870 5.436 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.333 4.963 6.467 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.596 3.662 5.221 1.00 0.00 C ATOM 0 H LEU A 67 -10.802 2.554 4.489 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.171 1.578 4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.715 2.804 6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.139 2.105 6.644 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.532 4.184 4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.852 5.885 6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.405 5.131 6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.917 4.657 7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.139 4.602 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.138 3.324 6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.441 2.911 4.446 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.886 -0.055 6.368 1.00 0.00 N ATOM 1035 CA GLN A 68 -10.022 -1.349 7.026 1.00 0.00 C ATOM 1036 C GLN A 68 -10.111 -2.474 6.000 1.00 0.00 C ATOM 1037 O GLN A 68 -9.483 -3.520 6.155 1.00 0.00 O ATOM 1038 CB GLN A 68 -11.261 -1.361 7.923 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.563 -1.158 7.166 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.140 -2.455 6.637 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -12.451 -3.473 6.570 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -14.413 -2.427 6.259 1.00 0.00 N ATOM 0 H GLN A 68 -10.493 0.674 6.742 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.136 -1.511 7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.304 -2.311 8.455 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.162 -0.578 8.675 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.291 -0.683 7.824 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.392 -0.475 6.334 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.948 -1.561 6.332 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.856 -3.271 5.896 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.897 -2.251 4.952 1.00 0.00 N ATOM 1052 CA ASN A 69 -11.070 -3.248 3.901 1.00 0.00 C ATOM 1053 C ASN A 69 -9.719 -3.734 3.385 1.00 0.00 C ATOM 1054 O ASN A 69 -9.525 -4.926 3.151 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.889 -2.666 2.748 1.00 0.00 C ATOM 1056 CG ASN A 69 -12.077 -3.656 1.614 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -12.802 -4.642 1.751 1.00 0.00 O ATOM 1058 ND2 ASN A 69 -11.424 -3.396 0.488 1.00 0.00 N ATOM 0 H ASN A 69 -11.424 -1.390 4.808 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.604 -4.098 4.325 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.865 -2.355 3.120 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.393 -1.773 2.368 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.512 -4.026 -0.310 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.834 -2.567 0.420 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.788 -2.801 3.211 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.455 -3.135 2.725 1.00 0.00 C ATOM 1067 C ALA A 70 -6.628 -3.811 3.813 1.00 0.00 C ATOM 1068 O ALA A 70 -6.049 -4.876 3.596 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.747 -1.885 2.223 1.00 0.00 C ATOM 0 H ALA A 70 -8.933 -1.809 3.399 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.563 -3.836 1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.753 -2.150 1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.322 -1.443 1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.659 -1.165 3.037 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.575 -3.186 4.986 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.817 -3.727 6.107 1.00 0.00 C ATOM 1077 C PHE A 71 -6.247 -5.159 6.414 1.00 0.00 C ATOM 1078 O PHE A 71 -5.426 -6.002 6.773 1.00 0.00 O ATOM 1079 CB PHE A 71 -6.004 -2.850 7.347 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.365 -1.496 7.224 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -4.064 -1.369 6.763 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -6.065 -0.352 7.569 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -3.474 -0.124 6.651 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -5.480 0.896 7.459 1.00 0.00 C ATOM 1085 CZ PHE A 71 -4.183 1.010 6.997 1.00 0.00 C ATOM 0 H PHE A 71 -7.048 -2.304 5.184 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.763 -3.734 5.831 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.070 -2.724 7.536 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.585 -3.364 8.212 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.506 -2.252 6.489 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.080 -0.436 7.928 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.459 -0.038 6.293 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.036 1.780 7.734 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.724 1.984 6.907 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.542 -5.425 6.271 1.00 0.00 N ATOM 1096 CA ASN A 72 -8.083 -6.753 6.533 1.00 0.00 C ATOM 1097 C ASN A 72 -7.658 -7.739 5.448 1.00 0.00 C ATOM 1098 O ASN A 72 -7.195 -8.841 5.742 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.609 -6.698 6.619 1.00 0.00 C ATOM 1100 CG ASN A 72 -10.094 -5.998 7.874 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -9.834 -6.450 8.990 1.00 0.00 O ATOM 1102 ND2 ASN A 72 -10.802 -4.890 7.697 1.00 0.00 N ATOM 0 H ASN A 72 -8.235 -4.738 5.975 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.685 -7.097 7.487 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.001 -6.180 5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.008 -7.712 6.595 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.155 -4.376 8.504 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.993 -4.552 6.754 1.00 0.00 H new ATOM 1109 N LEU A 73 -7.819 -7.333 4.194 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.451 -8.178 3.063 1.00 0.00 C ATOM 1111 C LEU A 73 -5.974 -8.551 3.119 1.00 0.00 C ATOM 1112 O LEU A 73 -5.611 -9.717 2.965 1.00 0.00 O ATOM 1113 CB LEU A 73 -7.760 -7.464 1.746 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.185 -7.621 1.215 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.357 -6.855 -0.087 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -9.522 -9.093 1.019 1.00 0.00 C ATOM 0 H LEU A 73 -8.202 -6.424 3.934 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.039 -9.094 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.557 -6.401 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.069 -7.830 0.987 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.874 -7.206 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.377 -6.979 -0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.158 -5.797 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.659 -7.240 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.540 -9.186 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.827 -9.533 0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.440 -9.615 1.972 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.125 -7.552 3.343 1.00 0.00 N ATOM 1129 CA ALA A 74 -3.687 -7.776 3.424 1.00 0.00 C ATOM 1130 C ALA A 74 -3.321 -8.547 4.687 1.00 0.00 C ATOM 1131 O ALA A 74 -2.259 -9.165 4.762 1.00 0.00 O ATOM 1132 CB ALA A 74 -2.944 -6.448 3.379 1.00 0.00 C ATOM 0 H ALA A 74 -5.409 -6.581 3.471 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.388 -8.377 2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.871 -6.629 3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.173 -5.935 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.256 -5.828 4.219 1.00 0.00 H new ATOM 1138 N GLU A 75 -4.208 -8.507 5.677 1.00 0.00 N ATOM 1139 CA GLU A 75 -3.975 -9.202 6.938 1.00 0.00 C ATOM 1140 C GLU A 75 -4.559 -10.611 6.897 1.00 0.00 C ATOM 1141 O GLU A 75 -4.159 -11.485 7.667 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.589 -8.417 8.099 1.00 0.00 C ATOM 1143 CG GLU A 75 -4.408 -9.087 9.450 1.00 0.00 C ATOM 1144 CD GLU A 75 -5.446 -10.160 9.713 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.544 -10.080 9.123 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -5.163 -11.080 10.510 1.00 0.00 O ATOM 0 H GLU A 75 -5.093 -8.002 5.630 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.898 -9.277 7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.141 -7.424 8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.654 -8.280 7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.413 -9.529 9.502 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.463 -8.333 10.235 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.509 -10.826 5.994 1.00 0.00 N ATOM 1154 CA LYS A 76 -6.150 -12.128 5.851 1.00 0.00 C ATOM 1155 C LYS A 76 -5.561 -12.898 4.673 1.00 0.00 C ATOM 1156 O LYS A 76 -4.975 -13.965 4.847 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.659 -11.959 5.660 1.00 0.00 C ATOM 1158 CG LYS A 76 -8.385 -13.262 5.371 1.00 0.00 C ATOM 1159 CD LYS A 76 -8.572 -14.088 6.633 1.00 0.00 C ATOM 1160 CE LYS A 76 -7.399 -15.030 6.860 1.00 0.00 C ATOM 1161 NZ LYS A 76 -7.620 -16.356 6.222 1.00 0.00 N ATOM 0 H LYS A 76 -5.853 -10.114 5.349 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.967 -12.697 6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.082 -11.508 6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.837 -11.264 4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.358 -13.047 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.821 -13.839 4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.679 -13.425 7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.494 -14.664 6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.490 -14.581 6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.243 -15.164 7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.798 -16.968 6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.473 -16.796 6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.744 -16.232 5.197 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.720 -12.347 3.473 1.00 0.00 N ATOM 1176 CA GLU A 77 -5.203 -12.982 2.266 1.00 0.00 C ATOM 1177 C GLU A 77 -3.682 -13.084 2.315 1.00 0.00 C ATOM 1178 O GLU A 77 -3.125 -14.176 2.438 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.633 -12.197 1.025 1.00 0.00 C ATOM 1180 CG GLU A 77 -7.137 -12.007 0.917 1.00 0.00 C ATOM 1181 CD GLU A 77 -7.883 -13.321 0.794 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -7.387 -14.220 0.083 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -8.964 -13.450 1.407 1.00 0.00 O ATOM 0 H GLU A 77 -6.202 -11.463 3.311 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.616 -13.989 2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.152 -11.219 1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.276 -12.716 0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.496 -11.471 1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.360 -11.384 0.050 1.00 0.00 H new ATOM 1190 N LEU A 78 -3.015 -11.939 2.216 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.556 -11.898 2.248 1.00 0.00 C ATOM 1192 C LEU A 78 -1.026 -12.416 3.581 1.00 0.00 C ATOM 1193 O LEU A 78 -0.102 -13.227 3.621 1.00 0.00 O ATOM 1194 CB LEU A 78 -1.061 -10.471 2.008 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.711 -9.722 0.845 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -1.330 -8.250 0.878 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -1.309 -10.348 -0.483 1.00 0.00 C ATOM 0 H LEU A 78 -3.460 -11.027 2.113 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.181 -12.544 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.220 -9.895 2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.015 -10.505 1.836 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.793 -9.799 0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.802 -7.733 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.667 -7.808 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.247 -8.153 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.781 -9.802 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.226 -10.302 -0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.632 -11.389 -0.507 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.621 -11.943 4.672 1.00 0.00 N ATOM 1210 CA GLY A 79 -1.196 -12.371 5.993 1.00 0.00 C ATOM 1211 C GLY A 79 -0.153 -11.449 6.593 1.00 0.00 C ATOM 1212 O GLY A 79 0.861 -11.908 7.121 1.00 0.00 O ATOM 0 H GLY A 79 -2.389 -11.272 4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.062 -12.414 6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.791 -13.381 5.932 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.399 -10.147 6.512 1.00 0.00 N ATOM 1217 CA LEU A 80 0.528 -9.157 7.050 1.00 0.00 C ATOM 1218 C LEU A 80 0.008 -8.583 8.365 1.00 0.00 C ATOM 1219 O LEU A 80 -1.174 -8.266 8.491 1.00 0.00 O ATOM 1220 CB LEU A 80 0.746 -8.031 6.039 1.00 0.00 C ATOM 1221 CG LEU A 80 1.371 -8.439 4.704 1.00 0.00 C ATOM 1222 CD1 LEU A 80 1.067 -7.402 3.634 1.00 0.00 C ATOM 1223 CD2 LEU A 80 2.874 -8.630 4.854 1.00 0.00 C ATOM 0 H LEU A 80 -1.233 -9.751 6.079 1.00 0.00 H new ATOM 0 HA LEU A 80 1.480 -9.653 7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.216 -7.559 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.382 -7.275 6.499 1.00 0.00 H new ATOM 0 HG LEU A 80 0.934 -9.389 4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.519 -7.709 2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.012 -7.315 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.476 -6.437 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.301 -8.920 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.328 -7.696 5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.070 -9.410 5.589 1.00 0.00 H new ATOM 1235 N THR A 81 0.902 -8.449 9.339 1.00 0.00 N ATOM 1236 CA THR A 81 0.535 -7.911 10.644 1.00 0.00 C ATOM 1237 C THR A 81 0.163 -6.436 10.545 1.00 0.00 C ATOM 1238 O THR A 81 0.991 -5.599 10.186 1.00 0.00 O ATOM 1239 CB THR A 81 1.680 -8.074 11.661 1.00 0.00 C ATOM 1240 OG1 THR A 81 2.080 -9.446 11.734 1.00 0.00 O ATOM 1241 CG2 THR A 81 1.253 -7.590 13.038 1.00 0.00 C ATOM 0 H THR A 81 1.885 -8.705 9.250 1.00 0.00 H new ATOM 0 HA THR A 81 -0.330 -8.478 10.989 1.00 0.00 H new ATOM 0 HB THR A 81 2.523 -7.469 11.326 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.809 -9.540 12.382 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.078 -7.715 13.740 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.979 -6.536 12.984 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.396 -8.171 13.378 1.00 0.00 H new ATOM 1249 N LYS A 82 -1.088 -6.125 10.867 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.571 -4.749 10.817 1.00 0.00 C ATOM 1251 C LYS A 82 -0.810 -3.869 11.804 1.00 0.00 C ATOM 1252 O LYS A 82 -1.036 -3.935 13.013 1.00 0.00 O ATOM 1253 CB LYS A 82 -3.069 -4.701 11.126 1.00 0.00 C ATOM 1254 CG LYS A 82 -3.948 -4.852 9.897 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.334 -5.355 10.260 1.00 0.00 C ATOM 1256 CE LYS A 82 -6.169 -4.266 10.918 1.00 0.00 C ATOM 1257 NZ LYS A 82 -7.196 -4.833 11.835 1.00 0.00 N ATOM 0 H LYS A 82 -1.786 -6.806 11.165 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.401 -4.367 9.810 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.311 -5.493 11.835 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.301 -3.754 11.614 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.031 -3.892 9.388 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.480 -5.545 9.197 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.840 -5.710 9.362 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.248 -6.206 10.935 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.516 -3.594 11.475 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.659 -3.669 10.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.744 -4.060 12.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.835 -5.454 11.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.728 -5.382 12.584 1.00 0.00 H new ATOM 1271 N LEU A 83 0.092 -3.046 11.281 1.00 0.00 N ATOM 1272 CA LEU A 83 0.886 -2.151 12.117 1.00 0.00 C ATOM 1273 C LEU A 83 0.133 -0.852 12.392 1.00 0.00 C ATOM 1274 O LEU A 83 0.358 -0.195 13.410 1.00 0.00 O ATOM 1275 CB LEU A 83 2.224 -1.845 11.442 1.00 0.00 C ATOM 1276 CG LEU A 83 2.934 -3.032 10.790 1.00 0.00 C ATOM 1277 CD1 LEU A 83 4.063 -2.551 9.892 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.462 -3.986 11.852 1.00 0.00 C ATOM 0 H LEU A 83 0.292 -2.979 10.283 1.00 0.00 H new ATOM 0 HA LEU A 83 1.071 -2.650 13.068 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.058 -1.083 10.680 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.893 -1.411 12.186 1.00 0.00 H new ATOM 0 HG LEU A 83 2.213 -3.569 10.174 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.557 -3.410 9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.658 -1.909 9.110 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.785 -1.989 10.485 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.964 -4.825 11.370 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.169 -3.460 12.494 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.632 -4.357 12.453 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.761 -0.488 11.479 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.549 0.731 11.624 1.00 0.00 C ATOM 1292 C LEU A 84 -3.036 0.409 11.732 1.00 0.00 C ATOM 1293 O LEU A 84 -3.427 -0.758 11.772 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.301 1.665 10.438 1.00 0.00 C ATOM 1295 CG LEU A 84 0.160 1.870 10.038 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.252 2.631 8.725 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.916 2.603 11.137 1.00 0.00 C ATOM 0 H LEU A 84 -0.958 -1.019 10.631 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.238 1.229 12.542 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.841 1.275 9.575 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.733 2.638 10.672 1.00 0.00 H new ATOM 0 HG LEU A 84 0.620 0.892 9.899 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.299 2.768 8.456 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.253 2.067 7.941 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.224 3.605 8.835 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.954 2.740 10.835 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.456 3.576 11.308 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.880 2.018 12.056 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.860 1.450 11.774 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.304 1.278 11.873 1.00 0.00 C ATOM 1311 C ASP A 85 -6.030 2.215 10.912 1.00 0.00 C ATOM 1312 O ASP A 85 -5.512 3.258 10.514 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.773 1.533 13.306 1.00 0.00 C ATOM 1314 CG ASP A 85 -5.471 0.371 14.230 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -6.303 -0.558 14.308 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -4.402 0.389 14.877 1.00 0.00 O ATOM 0 H ASP A 85 -3.552 2.422 11.741 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.542 0.250 11.599 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.290 2.432 13.688 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.846 1.723 13.305 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.259 1.836 10.530 1.00 0.00 N ATOM 1322 CA PRO A 86 -8.082 2.627 9.611 1.00 0.00 C ATOM 1323 C PRO A 86 -8.573 3.924 10.245 1.00 0.00 C ATOM 1324 O PRO A 86 -9.270 4.712 9.606 1.00 0.00 O ATOM 1325 CB PRO A 86 -9.261 1.702 9.304 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.350 0.798 10.484 1.00 0.00 C ATOM 1327 CD PRO A 86 -7.939 0.604 10.966 1.00 0.00 C ATOM 0 HA PRO A 86 -7.524 2.936 8.727 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.183 2.267 9.168 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -9.094 1.139 8.386 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.972 1.236 11.265 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.804 -0.155 10.212 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.897 0.483 12.048 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.483 -0.284 10.528 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.203 4.141 11.503 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.608 5.343 12.222 1.00 0.00 C ATOM 1337 C GLU A 87 -7.418 6.274 12.437 1.00 0.00 C ATOM 1338 O GLU A 87 -7.542 7.494 12.320 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.230 4.974 13.570 1.00 0.00 C ATOM 1340 CG GLU A 87 -10.467 4.098 13.450 1.00 0.00 C ATOM 1341 CD GLU A 87 -11.178 3.908 14.776 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -10.585 3.293 15.686 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -12.329 4.377 14.903 1.00 0.00 O ATOM 0 H GLU A 87 -7.624 3.500 12.045 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.351 5.863 11.618 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.486 4.456 14.175 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.493 5.888 14.102 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.156 4.545 12.733 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.181 3.124 13.053 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.267 5.691 12.752 1.00 0.00 N ATOM 1351 CA ASP A 88 -5.055 6.467 12.984 1.00 0.00 C ATOM 1352 C ASP A 88 -4.561 7.104 11.688 1.00 0.00 C ATOM 1353 O ASP A 88 -4.199 8.280 11.661 1.00 0.00 O ATOM 1354 CB ASP A 88 -3.961 5.578 13.578 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.259 5.172 15.008 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -4.991 4.180 15.202 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -3.758 5.847 15.932 1.00 0.00 O ATOM 0 H ASP A 88 -6.148 4.683 12.853 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.292 7.262 13.692 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.851 4.684 12.965 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.009 6.107 13.544 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.551 6.318 10.615 1.00 0.00 N ATOM 1363 CA VAL A 89 -4.102 6.806 9.315 1.00 0.00 C ATOM 1364 C VAL A 89 -5.015 7.911 8.799 1.00 0.00 C ATOM 1365 O VAL A 89 -4.556 9.002 8.464 1.00 0.00 O ATOM 1366 CB VAL A 89 -4.052 5.669 8.278 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -3.615 6.203 6.922 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -3.124 4.559 8.747 1.00 0.00 C ATOM 0 H VAL A 89 -4.848 5.342 10.620 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.097 7.205 9.454 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.054 5.252 8.173 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.585 5.386 6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.323 6.960 6.584 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.623 6.647 7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.101 3.764 8.001 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.119 4.958 8.883 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.486 4.158 9.694 1.00 0.00 H new ATOM 1378 N ASN A 90 -6.311 7.622 8.737 1.00 0.00 N ATOM 1379 CA ASN A 90 -7.289 8.592 8.260 1.00 0.00 C ATOM 1380 C ASN A 90 -7.276 9.849 9.126 1.00 0.00 C ATOM 1381 O ASN A 90 -8.037 9.962 10.087 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.689 7.977 8.257 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.701 8.845 7.534 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -9.387 9.954 7.102 1.00 0.00 O ATOM 1385 ND2 ASN A 90 -10.923 8.342 7.400 1.00 0.00 N ATOM 0 H ASN A 90 -6.708 6.723 9.011 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.020 8.871 7.241 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.651 6.996 7.783 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.017 7.821 9.285 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.646 8.880 6.923 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -11.138 7.418 7.774 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.405 10.791 8.780 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.293 12.039 9.523 1.00 0.00 C ATOM 1394 C VAL A 91 -5.729 13.153 8.647 1.00 0.00 C ATOM 1395 O VAL A 91 -4.963 12.897 7.717 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.396 11.875 10.765 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -3.942 11.706 10.354 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.560 13.062 11.702 1.00 0.00 C ATOM 0 H VAL A 91 -5.766 10.713 7.989 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.300 12.307 9.843 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.705 10.976 11.299 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.323 11.592 11.244 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.842 10.821 9.726 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.617 12.585 9.797 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.919 12.929 12.574 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.279 13.978 11.182 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.599 13.131 12.023 1.00 0.00 H new ATOM 1408 N ASP A 92 -6.112 14.388 8.950 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.644 15.541 8.191 1.00 0.00 C ATOM 1410 C ASP A 92 -4.172 15.388 7.821 1.00 0.00 C ATOM 1411 O ASP A 92 -3.804 15.476 6.651 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.849 16.826 8.995 1.00 0.00 C ATOM 1413 CG ASP A 92 -7.289 17.300 8.973 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -7.752 17.740 7.900 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -7.953 17.231 10.028 1.00 0.00 O ATOM 0 H ASP A 92 -6.745 14.616 9.716 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.227 15.600 7.272 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.541 16.658 10.027 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.206 17.609 8.593 1.00 0.00 H new ATOM 1420 N GLN A 93 -3.335 15.159 8.828 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.903 14.994 8.608 1.00 0.00 C ATOM 1422 C GLN A 93 -1.364 13.807 9.398 1.00 0.00 C ATOM 1423 O GLN A 93 -0.977 13.927 10.561 1.00 0.00 O ATOM 1424 CB GLN A 93 -1.156 16.268 9.007 1.00 0.00 C ATOM 1425 CG GLN A 93 -1.314 17.404 8.009 1.00 0.00 C ATOM 1426 CD GLN A 93 -0.479 17.204 6.759 1.00 0.00 C ATOM 1427 OE1 GLN A 93 0.489 16.443 6.761 1.00 0.00 O ATOM 1428 NE2 GLN A 93 -0.851 17.886 5.682 1.00 0.00 N ATOM 0 H GLN A 93 -3.624 15.084 9.803 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.743 14.803 7.547 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.514 16.599 9.982 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.096 16.038 9.118 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.364 17.493 7.729 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -1.030 18.343 8.485 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.660 18.506 5.725 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.328 17.790 4.812 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.336 12.630 8.753 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.847 11.398 9.376 1.00 0.00 C ATOM 1439 C PRO A 94 0.661 11.421 9.600 1.00 0.00 C ATOM 1440 O PRO A 94 1.289 12.479 9.555 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.219 10.315 8.361 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.290 11.028 7.055 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.781 12.414 7.367 1.00 0.00 C ATOM 0 HA PRO A 94 -1.279 11.242 10.364 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.473 9.521 8.338 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.173 9.850 8.610 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.313 11.059 6.574 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.967 10.519 6.369 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.355 13.153 6.689 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.865 12.486 7.277 1.00 0.00 H new ATOM 1451 N ASP A 95 1.237 10.249 9.842 1.00 0.00 N ATOM 1452 CA ASP A 95 2.673 10.134 10.072 1.00 0.00 C ATOM 1453 C ASP A 95 3.340 9.334 8.957 1.00 0.00 C ATOM 1454 O ASP A 95 3.340 8.103 8.979 1.00 0.00 O ATOM 1455 CB ASP A 95 2.944 9.473 11.423 1.00 0.00 C ATOM 1456 CG ASP A 95 2.983 10.475 12.561 1.00 0.00 C ATOM 1457 OD1 ASP A 95 3.177 11.677 12.286 1.00 0.00 O ATOM 1458 OD2 ASP A 95 2.817 10.057 13.726 1.00 0.00 O ATOM 0 H ASP A 95 0.731 9.364 9.884 1.00 0.00 H new ATOM 0 HA ASP A 95 3.096 11.138 10.077 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.171 8.731 11.623 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.894 8.940 11.379 1.00 0.00 H new ATOM 1463 N GLU A 96 3.906 10.041 7.984 1.00 0.00 N ATOM 1464 CA GLU A 96 4.573 9.396 6.860 1.00 0.00 C ATOM 1465 C GLU A 96 5.483 8.269 7.342 1.00 0.00 C ATOM 1466 O GLU A 96 5.619 7.239 6.681 1.00 0.00 O ATOM 1467 CB GLU A 96 5.388 10.418 6.066 1.00 0.00 C ATOM 1468 CG GLU A 96 6.456 11.117 6.890 1.00 0.00 C ATOM 1469 CD GLU A 96 5.872 12.065 7.920 1.00 0.00 C ATOM 1470 OE1 GLU A 96 4.880 12.752 7.600 1.00 0.00 O ATOM 1471 OE2 GLU A 96 6.408 12.117 9.047 1.00 0.00 O ATOM 0 H GLU A 96 3.916 11.060 7.952 1.00 0.00 H new ATOM 0 HA GLU A 96 3.807 8.971 6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.862 9.916 5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.712 11.167 5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.067 10.369 7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.117 11.672 6.225 1.00 0.00 H new ATOM 1478 N LYS A 97 6.104 8.472 8.499 1.00 0.00 N ATOM 1479 CA LYS A 97 7.000 7.475 9.073 1.00 0.00 C ATOM 1480 C LYS A 97 6.220 6.258 9.561 1.00 0.00 C ATOM 1481 O LYS A 97 6.710 5.131 9.504 1.00 0.00 O ATOM 1482 CB LYS A 97 7.798 8.080 10.229 1.00 0.00 C ATOM 1483 CG LYS A 97 8.526 9.361 9.860 1.00 0.00 C ATOM 1484 CD LYS A 97 9.905 9.076 9.290 1.00 0.00 C ATOM 1485 CE LYS A 97 9.869 8.966 7.773 1.00 0.00 C ATOM 1486 NZ LYS A 97 9.888 10.303 7.120 1.00 0.00 N ATOM 0 H LYS A 97 6.003 9.319 9.058 1.00 0.00 H new ATOM 0 HA LYS A 97 7.690 7.153 8.293 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.122 8.283 11.060 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.524 7.347 10.581 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.938 9.917 9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.620 9.994 10.742 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.592 9.870 9.582 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.291 8.149 9.714 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.724 8.382 7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.972 8.426 7.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.709 10.194 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.150 10.904 7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.818 10.746 7.263 1.00 0.00 H new ATOM 1500 N SER A 98 5.003 6.496 10.041 1.00 0.00 N ATOM 1501 CA SER A 98 4.156 5.420 10.542 1.00 0.00 C ATOM 1502 C SER A 98 3.545 4.628 9.389 1.00 0.00 C ATOM 1503 O SER A 98 3.057 3.512 9.578 1.00 0.00 O ATOM 1504 CB SER A 98 3.047 5.987 11.431 1.00 0.00 C ATOM 1505 OG SER A 98 3.589 6.687 12.538 1.00 0.00 O ATOM 0 H SER A 98 4.582 7.424 10.093 1.00 0.00 H new ATOM 0 HA SER A 98 4.777 4.747 11.133 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.415 6.656 10.847 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.410 5.176 11.786 1.00 0.00 H new ATOM 0 HG SER A 98 2.861 7.041 13.090 1.00 0.00 H new ATOM 1511 N ILE A 99 3.574 5.213 8.197 1.00 0.00 N ATOM 1512 CA ILE A 99 3.025 4.563 7.014 1.00 0.00 C ATOM 1513 C ILE A 99 4.129 3.940 6.165 1.00 0.00 C ATOM 1514 O ILE A 99 4.136 2.733 5.927 1.00 0.00 O ATOM 1515 CB ILE A 99 2.224 5.553 6.148 1.00 0.00 C ATOM 1516 CG1 ILE A 99 1.063 6.142 6.952 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.710 4.864 4.893 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.423 7.346 6.295 1.00 0.00 C ATOM 0 H ILE A 99 3.972 6.136 8.025 1.00 0.00 H new ATOM 0 HA ILE A 99 2.356 3.778 7.368 1.00 0.00 H new ATOM 0 HB ILE A 99 2.884 6.367 5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.305 5.372 7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.423 6.426 7.941 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.146 5.577 4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.553 4.487 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.062 4.033 5.173 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.392 7.711 6.920 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.168 8.133 6.173 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.032 7.062 5.318 1.00 0.00 H new ATOM 1530 N ILE A 100 5.061 4.773 5.715 1.00 0.00 N ATOM 1531 CA ILE A 100 6.172 4.304 4.895 1.00 0.00 C ATOM 1532 C ILE A 100 6.651 2.932 5.355 1.00 0.00 C ATOM 1533 O ILE A 100 7.056 2.099 4.541 1.00 0.00 O ATOM 1534 CB ILE A 100 7.355 5.289 4.935 1.00 0.00 C ATOM 1535 CG1 ILE A 100 6.950 6.632 4.322 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.554 4.706 4.202 1.00 0.00 C ATOM 1537 CD1 ILE A 100 7.750 7.803 4.850 1.00 0.00 C ATOM 0 H ILE A 100 5.069 5.775 5.904 1.00 0.00 H new ATOM 0 HA ILE A 100 5.803 4.234 3.872 1.00 0.00 H new ATOM 0 HB ILE A 100 7.635 5.456 5.975 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.070 6.579 3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.892 6.807 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.382 5.414 4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.853 3.772 4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.287 4.514 3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.409 8.721 4.372 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.611 7.882 5.928 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.807 7.650 4.631 1.00 0.00 H new ATOM 1549 N THR A 101 6.604 2.700 6.662 1.00 0.00 N ATOM 1550 CA THR A 101 7.033 1.429 7.230 1.00 0.00 C ATOM 1551 C THR A 101 6.076 0.305 6.847 1.00 0.00 C ATOM 1552 O THR A 101 6.504 -0.789 6.478 1.00 0.00 O ATOM 1553 CB THR A 101 7.131 1.503 8.766 1.00 0.00 C ATOM 1554 OG1 THR A 101 7.952 2.611 9.151 1.00 0.00 O ATOM 1555 CG2 THR A 101 7.708 0.215 9.334 1.00 0.00 C ATOM 0 H THR A 101 6.272 3.377 7.349 1.00 0.00 H new ATOM 0 HA THR A 101 8.021 1.218 6.821 1.00 0.00 H new ATOM 0 HB THR A 101 6.127 1.639 9.167 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.398 3.415 9.235 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.768 0.291 10.420 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.065 -0.622 9.063 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.706 0.052 8.926 1.00 0.00 H new ATOM 1563 N TYR A 102 4.780 0.581 6.937 1.00 0.00 N ATOM 1564 CA TYR A 102 3.762 -0.407 6.601 1.00 0.00 C ATOM 1565 C TYR A 102 3.810 -0.754 5.117 1.00 0.00 C ATOM 1566 O TYR A 102 4.069 -1.898 4.743 1.00 0.00 O ATOM 1567 CB TYR A 102 2.373 0.115 6.971 1.00 0.00 C ATOM 1568 CG TYR A 102 1.252 -0.828 6.595 1.00 0.00 C ATOM 1569 CD1 TYR A 102 0.821 -0.936 5.278 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.626 -1.612 7.555 1.00 0.00 C ATOM 1571 CE1 TYR A 102 -0.202 -1.794 4.929 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.399 -2.475 7.215 1.00 0.00 C ATOM 1573 CZ TYR A 102 -0.810 -2.562 5.902 1.00 0.00 C ATOM 1574 OH TYR A 102 -1.829 -3.420 5.558 1.00 0.00 O ATOM 0 H TYR A 102 4.409 1.482 7.240 1.00 0.00 H new ATOM 0 HA TYR A 102 3.966 -1.312 7.174 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.337 0.299 8.045 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.211 1.074 6.478 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.295 -0.338 4.514 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.945 -1.546 8.585 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.525 -1.864 3.901 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.875 -3.078 7.974 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.148 -3.887 6.358 1.00 0.00 H new ATOM 1584 N VAL A 103 3.556 0.242 4.274 1.00 0.00 N ATOM 1585 CA VAL A 103 3.571 0.044 2.830 1.00 0.00 C ATOM 1586 C VAL A 103 4.832 -0.689 2.388 1.00 0.00 C ATOM 1587 O VAL A 103 4.823 -1.418 1.396 1.00 0.00 O ATOM 1588 CB VAL A 103 3.480 1.386 2.079 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.636 2.295 2.469 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.459 1.154 0.576 1.00 0.00 C ATOM 0 H VAL A 103 3.337 1.194 4.567 1.00 0.00 H new ATOM 0 HA VAL A 103 2.698 -0.561 2.585 1.00 0.00 H new ATOM 0 HB VAL A 103 2.550 1.879 2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.555 3.238 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.602 2.487 3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.580 1.812 2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.394 2.112 0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.372 0.641 0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.595 0.543 0.314 1.00 0.00 H new ATOM 1600 N ALA A 104 5.916 -0.491 3.131 1.00 0.00 N ATOM 1601 CA ALA A 104 7.185 -1.136 2.818 1.00 0.00 C ATOM 1602 C ALA A 104 7.009 -2.641 2.647 1.00 0.00 C ATOM 1603 O ALA A 104 7.658 -3.262 1.805 1.00 0.00 O ATOM 1604 CB ALA A 104 8.208 -0.843 3.904 1.00 0.00 C ATOM 0 H ALA A 104 5.941 0.111 3.954 1.00 0.00 H new ATOM 0 HA ALA A 104 7.547 -0.729 1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.151 -1.331 3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.364 0.233 3.976 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.843 -1.221 4.859 1.00 0.00 H new ATOM 1610 N THR A 105 6.126 -3.224 3.453 1.00 0.00 N ATOM 1611 CA THR A 105 5.866 -4.657 3.392 1.00 0.00 C ATOM 1612 C THR A 105 5.270 -5.050 2.045 1.00 0.00 C ATOM 1613 O THR A 105 5.637 -6.076 1.469 1.00 0.00 O ATOM 1614 CB THR A 105 4.908 -5.102 4.513 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.557 -4.794 4.154 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.258 -4.418 5.827 1.00 0.00 C ATOM 0 H THR A 105 5.579 -2.726 4.155 1.00 0.00 H new ATOM 0 HA THR A 105 6.825 -5.158 3.523 1.00 0.00 H new ATOM 0 HB THR A 105 5.012 -6.179 4.643 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.399 -3.834 4.269 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.568 -4.748 6.604 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.277 -4.678 6.113 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.180 -3.337 5.707 1.00 0.00 H new ATOM 1624 N TYR A 106 4.352 -4.231 1.547 1.00 0.00 N ATOM 1625 CA TYR A 106 3.704 -4.495 0.268 1.00 0.00 C ATOM 1626 C TYR A 106 4.737 -4.659 -0.842 1.00 0.00 C ATOM 1627 O TYR A 106 4.531 -5.416 -1.792 1.00 0.00 O ATOM 1628 CB TYR A 106 2.738 -3.362 -0.083 1.00 0.00 C ATOM 1629 CG TYR A 106 1.368 -3.520 0.537 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.221 -4.017 1.827 1.00 0.00 C ATOM 1631 CD2 TYR A 106 0.222 -3.174 -0.166 1.00 0.00 C ATOM 1632 CE1 TYR A 106 -0.028 -4.164 2.398 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -1.032 -3.316 0.398 1.00 0.00 C ATOM 1634 CZ TYR A 106 -1.151 -3.812 1.679 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.398 -3.956 2.243 1.00 0.00 O ATOM 0 H TYR A 106 4.039 -3.378 2.010 1.00 0.00 H new ATOM 0 HA TYR A 106 3.144 -5.425 0.359 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.168 -2.415 0.243 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.633 -3.308 -1.167 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.099 -4.293 2.393 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.312 -2.787 -1.170 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.125 -4.552 3.401 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.914 -3.040 -0.162 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.081 -3.662 1.605 1.00 0.00 H new ATOM 1645 N TYR A 107 5.850 -3.946 -0.715 1.00 0.00 N ATOM 1646 CA TYR A 107 6.917 -4.010 -1.708 1.00 0.00 C ATOM 1647 C TYR A 107 7.809 -5.224 -1.472 1.00 0.00 C ATOM 1648 O TYR A 107 8.102 -5.983 -2.396 1.00 0.00 O ATOM 1649 CB TYR A 107 7.755 -2.731 -1.668 1.00 0.00 C ATOM 1650 CG TYR A 107 9.145 -2.901 -2.241 1.00 0.00 C ATOM 1651 CD1 TYR A 107 9.380 -2.753 -3.602 1.00 0.00 C ATOM 1652 CD2 TYR A 107 10.223 -3.210 -1.420 1.00 0.00 C ATOM 1653 CE1 TYR A 107 10.647 -2.907 -4.130 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.494 -3.364 -1.939 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.701 -3.213 -3.294 1.00 0.00 C ATOM 1656 OH TYR A 107 12.965 -3.367 -3.815 1.00 0.00 O ATOM 0 H TYR A 107 6.038 -3.317 0.066 1.00 0.00 H new ATOM 0 HA TYR A 107 6.458 -4.106 -2.692 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.236 -1.949 -2.222 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.835 -2.391 -0.635 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.557 -2.513 -4.259 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.064 -3.332 -0.359 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.812 -2.789 -5.191 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.321 -3.601 -1.287 1.00 0.00 H new ATOM 0 HH TYR A 107 13.593 -3.579 -3.093 1.00 0.00 H new ATOM 1666 N HIS A 108 8.237 -5.402 -0.226 1.00 0.00 N ATOM 1667 CA HIS A 108 9.096 -6.526 0.134 1.00 0.00 C ATOM 1668 C HIS A 108 8.393 -7.853 -0.132 1.00 0.00 C ATOM 1669 O HIS A 108 8.892 -8.691 -0.883 1.00 0.00 O ATOM 1670 CB HIS A 108 9.499 -6.435 1.607 1.00 0.00 C ATOM 1671 CG HIS A 108 10.505 -5.363 1.888 1.00 0.00 C ATOM 1672 ND1 HIS A 108 11.751 -5.327 1.298 1.00 0.00 N ATOM 1673 CD2 HIS A 108 10.444 -4.281 2.699 1.00 0.00 C ATOM 1674 CE1 HIS A 108 12.413 -4.271 1.736 1.00 0.00 C ATOM 1675 NE2 HIS A 108 11.642 -3.619 2.588 1.00 0.00 N ATOM 0 H HIS A 108 8.004 -4.783 0.551 1.00 0.00 H new ATOM 0 HA HIS A 108 9.993 -6.480 -0.484 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.608 -6.252 2.208 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.906 -7.395 1.924 1.00 0.00 H new ATOM 0 HD2 HIS A 108 9.608 -3.992 3.319 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.414 -3.989 1.447 1.00 0.00 H new ATOM 0 HE2 HIS A 108 11.895 -2.764 3.083 1.00 0.00 H new ATOM 1684 N TYR A 109 7.234 -8.038 0.488 1.00 0.00 N ATOM 1685 CA TYR A 109 6.464 -9.265 0.319 1.00 0.00 C ATOM 1686 C TYR A 109 6.369 -9.652 -1.153 1.00 0.00 C ATOM 1687 O TYR A 109 6.991 -10.619 -1.594 1.00 0.00 O ATOM 1688 CB TYR A 109 5.060 -9.097 0.906 1.00 0.00 C ATOM 1689 CG TYR A 109 4.040 -10.042 0.314 1.00 0.00 C ATOM 1690 CD1 TYR A 109 3.996 -11.376 0.697 1.00 0.00 C ATOM 1691 CD2 TYR A 109 3.119 -9.600 -0.629 1.00 0.00 C ATOM 1692 CE1 TYR A 109 3.065 -12.243 0.159 1.00 0.00 C ATOM 1693 CE2 TYR A 109 2.184 -10.460 -1.173 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.162 -11.781 -0.776 1.00 0.00 C ATOM 1695 OH TYR A 109 1.232 -12.641 -1.314 1.00 0.00 O ATOM 0 H TYR A 109 6.806 -7.354 1.112 1.00 0.00 H new ATOM 0 HA TYR A 109 6.981 -10.063 0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.105 -9.253 1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.729 -8.071 0.746 1.00 0.00 H new ATOM 0 HD1 TYR A 109 4.702 -11.742 1.428 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.135 -8.566 -0.942 1.00 0.00 H new ATOM 0 HE1 TYR A 109 3.044 -13.277 0.469 1.00 0.00 H new ATOM 0 HE2 TYR A 109 1.475 -10.100 -1.904 1.00 0.00 H new ATOM 0 HH TYR A 109 0.671 -12.157 -1.956 1.00 0.00 H new ATOM 1705 N PHE A 110 5.588 -8.889 -1.909 1.00 0.00 N ATOM 1706 CA PHE A 110 5.410 -9.149 -3.333 1.00 0.00 C ATOM 1707 C PHE A 110 6.758 -9.338 -4.023 1.00 0.00 C ATOM 1708 O PHE A 110 6.929 -10.247 -4.835 1.00 0.00 O ATOM 1709 CB PHE A 110 4.643 -8.002 -3.992 1.00 0.00 C ATOM 1710 CG PHE A 110 3.152 -8.179 -3.958 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.525 -9.060 -4.824 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.377 -7.464 -3.059 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.154 -9.225 -4.795 1.00 0.00 C ATOM 1714 CE2 PHE A 110 1.005 -7.625 -3.024 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.392 -8.507 -3.893 1.00 0.00 C ATOM 0 H PHE A 110 5.067 -8.085 -1.559 1.00 0.00 H new ATOM 0 HA PHE A 110 4.834 -10.068 -3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.901 -7.069 -3.492 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.966 -7.908 -5.029 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.115 -9.625 -5.530 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.851 -6.773 -2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.678 -9.914 -5.477 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.412 -7.062 -2.318 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.680 -8.635 -3.867 1.00 0.00 H new ATOM 1725 N SER A 111 7.711 -8.473 -3.694 1.00 0.00 N ATOM 1726 CA SER A 111 9.043 -8.540 -4.285 1.00 0.00 C ATOM 1727 C SER A 111 9.617 -9.949 -4.170 1.00 0.00 C ATOM 1728 O SER A 111 10.065 -10.532 -5.157 1.00 0.00 O ATOM 1729 CB SER A 111 9.977 -7.539 -3.603 1.00 0.00 C ATOM 1730 OG SER A 111 9.847 -6.249 -4.175 1.00 0.00 O ATOM 0 H SER A 111 7.586 -7.717 -3.021 1.00 0.00 H new ATOM 0 HA SER A 111 8.959 -8.286 -5.342 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.750 -7.493 -2.538 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.009 -7.879 -3.695 1.00 0.00 H new ATOM 0 HG SER A 111 9.387 -5.656 -3.545 1.00 0.00 H new ATOM 1736 N LYS A 112 9.602 -10.490 -2.956 1.00 0.00 N ATOM 1737 CA LYS A 112 10.119 -11.831 -2.709 1.00 0.00 C ATOM 1738 C LYS A 112 9.788 -12.764 -3.869 1.00 0.00 C ATOM 1739 O LYS A 112 10.675 -13.407 -4.433 1.00 0.00 O ATOM 1740 CB LYS A 112 9.539 -12.392 -1.409 1.00 0.00 C ATOM 1741 CG LYS A 112 9.969 -11.625 -0.170 1.00 0.00 C ATOM 1742 CD LYS A 112 11.217 -12.228 0.453 1.00 0.00 C ATOM 1743 CE LYS A 112 12.481 -11.572 -0.082 1.00 0.00 C ATOM 1744 NZ LYS A 112 13.707 -12.135 0.548 1.00 0.00 N ATOM 0 H LYS A 112 9.237 -10.020 -2.128 1.00 0.00 H new ATOM 0 HA LYS A 112 11.203 -11.764 -2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.451 -12.382 -1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.843 -13.434 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.159 -10.584 -0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.159 -11.627 0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.176 -12.112 1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.247 -13.298 0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.532 -11.709 -1.162 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.439 -10.498 0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 14.547 -11.662 0.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.671 -11.982 1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.761 -13.155 0.352 1.00 0.00 H new