USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 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 48 GLN :FLIP amide:sc= -1.7 F(o=-7.4!,f=-2.5) USER MOD Set 1.2: A 49 ASN : amide:sc= -0.835 K(o=-2.5,f=-7.1) USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= -0.89 USER MOD Set 2.2: A 50 SER OG : rot 170:sc= 0 USER MOD Single : A 7 SER OG : rot -37:sc= -0.949 USER MOD Single : A 13 THR OG1 : rot 6:sc= -0.302 USER MOD Single : A 14 MET CE :methyl 177:sc= -0.364 (180deg=-0.37) USER MOD Single : A 18 GLN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 19 SER OG : rot 36:sc= -4.5! USER MOD Single : A 21 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.3!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -112:sc= 1.11 USER MOD Single : A 27 SER OG : rot -146:sc= -1.38! USER MOD Single : A 30 CYS SG : rot 180:sc= -0.204 USER MOD Single : A 34 SER OG : rot -26:sc= 0.163 USER MOD Single : A 35 ASN : amide:sc= 1.02 K(o=1,f=-0.018) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 165:sc= -0.456 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -0.136 F(o=-0.91,f=-0.14) USER MOD Single : A 54 ASN : amide:sc= -3.03 X(o=-3,f=-3.5) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.81 K(o=0.81,f=-0.23) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -6.65! C(o=-6.7!,f=-13!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -8.98! C(o=-9!,f=-19!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -2.18 K(o=-2.2,f=-3.6!) USER MOD Single : A 83 SER OG : rot 100:sc= -0.0105 USER MOD Single : A 86 MET CE :methyl 168:sc= 0 (180deg=-0.128) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 -5.014 11.733 0.290 1.00 0.00 N ATOM 89 CA SER A 7 -5.066 12.124 1.688 1.00 0.00 C ATOM 90 C SER A 7 -6.228 11.416 2.387 1.00 0.00 C ATOM 91 O SER A 7 -6.906 10.586 1.785 1.00 0.00 O ATOM 92 CB SER A 7 -5.206 13.641 1.830 1.00 0.00 C ATOM 93 OG SER A 7 -6.440 14.116 1.298 1.00 0.00 O ATOM 0 HA SER A 7 -4.130 11.826 2.162 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.136 13.914 2.883 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.378 14.131 1.318 1.00 0.00 H new ATOM 0 HG SER A 7 -6.668 13.605 0.494 1.00 0.00 H new ATOM 99 N TYR A 8 -6.422 11.771 3.649 1.00 0.00 N ATOM 100 CA TYR A 8 -7.490 11.179 4.437 1.00 0.00 C ATOM 101 C TYR A 8 -8.822 11.883 4.169 1.00 0.00 C ATOM 102 O TYR A 8 -9.885 11.281 4.313 1.00 0.00 O ATOM 103 CB TYR A 8 -7.100 11.390 5.901 1.00 0.00 C ATOM 104 CG TYR A 8 -5.753 10.774 6.282 1.00 0.00 C ATOM 105 CD1 TYR A 8 -5.647 9.411 6.475 1.00 0.00 C ATOM 106 CD2 TYR A 8 -4.643 11.580 6.432 1.00 0.00 C ATOM 107 CE1 TYR A 8 -4.379 8.830 6.833 1.00 0.00 C ATOM 108 CE2 TYR A 8 -3.375 10.999 6.790 1.00 0.00 C ATOM 109 CZ TYR A 8 -3.305 9.653 6.973 1.00 0.00 C ATOM 110 OH TYR A 8 -2.108 9.105 7.311 1.00 0.00 O ATOM 0 H TYR A 8 -5.858 12.461 4.145 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.615 10.126 4.186 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.070 12.460 6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -7.876 10.964 6.538 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.516 8.780 6.357 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.725 12.646 6.281 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.283 7.765 6.987 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.499 11.619 6.911 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.431 9.811 7.375 1.00 0.00 H new ATOM 120 N ILE A 9 -8.721 13.147 3.786 1.00 0.00 N ATOM 121 CA ILE A 9 -9.904 13.938 3.497 1.00 0.00 C ATOM 122 C ILE A 9 -10.854 13.125 2.614 1.00 0.00 C ATOM 123 O ILE A 9 -12.063 13.116 2.840 1.00 0.00 O ATOM 124 CB ILE A 9 -9.512 15.290 2.896 1.00 0.00 C ATOM 125 CG1 ILE A 9 -9.166 15.150 1.412 1.00 0.00 C ATOM 126 CG2 ILE A 9 -8.375 15.934 3.692 1.00 0.00 C ATOM 127 CD1 ILE A 9 -10.414 15.309 0.541 1.00 0.00 C ATOM 0 H ILE A 9 -7.837 13.643 3.669 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.441 14.168 4.417 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.371 15.957 2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.427 15.901 1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.713 14.175 1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.115 16.893 3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.695 16.089 4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.504 15.279 3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.141 15.205 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.142 14.541 0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.850 16.294 0.707 1.00 0.00 H new ATOM 139 N ALA A 10 -10.270 12.462 1.627 1.00 0.00 N ATOM 140 CA ALA A 10 -11.048 11.648 0.709 1.00 0.00 C ATOM 141 C ALA A 10 -11.748 10.534 1.490 1.00 0.00 C ATOM 142 O ALA A 10 -12.942 10.299 1.309 1.00 0.00 O ATOM 143 CB ALA A 10 -10.135 11.104 -0.392 1.00 0.00 C ATOM 0 H ALA A 10 -9.267 12.472 1.443 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.820 12.247 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.719 10.493 -1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.686 11.935 -0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.349 10.496 0.055 1.00 0.00 H new ATOM 149 N LEU A 11 -10.975 9.877 2.342 1.00 0.00 N ATOM 150 CA LEU A 11 -11.505 8.793 3.152 1.00 0.00 C ATOM 151 C LEU A 11 -12.609 9.335 4.062 1.00 0.00 C ATOM 152 O LEU A 11 -13.481 8.586 4.499 1.00 0.00 O ATOM 153 CB LEU A 11 -10.377 8.087 3.907 1.00 0.00 C ATOM 154 CG LEU A 11 -9.094 7.834 3.113 1.00 0.00 C ATOM 155 CD1 LEU A 11 -8.137 6.929 3.891 1.00 0.00 C ATOM 156 CD2 LEU A 11 -9.410 7.275 1.724 1.00 0.00 C ATOM 0 H LEU A 11 -9.985 10.074 2.489 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.959 8.031 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.126 8.682 4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.752 7.129 4.268 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.588 8.789 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.233 6.765 3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.875 7.404 4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.620 5.972 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.481 7.104 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.950 6.333 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.025 7.989 1.176 1.00 0.00 H new ATOM 168 N ILE A 12 -12.535 10.632 4.320 1.00 0.00 N ATOM 169 CA ILE A 12 -13.518 11.283 5.170 1.00 0.00 C ATOM 170 C ILE A 12 -14.796 11.532 4.367 1.00 0.00 C ATOM 171 O ILE A 12 -15.872 11.072 4.747 1.00 0.00 O ATOM 172 CB ILE A 12 -12.929 12.549 5.797 1.00 0.00 C ATOM 173 CG1 ILE A 12 -11.676 12.226 6.612 1.00 0.00 C ATOM 174 CG2 ILE A 12 -13.980 13.288 6.628 1.00 0.00 C ATOM 175 CD1 ILE A 12 -11.740 10.805 7.176 1.00 0.00 C ATOM 0 H ILE A 12 -11.810 11.250 3.956 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.787 10.636 6.005 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.625 13.219 4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.792 12.332 5.984 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.575 12.941 7.428 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -13.536 14.184 7.063 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -14.816 13.571 5.989 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -14.337 12.636 7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.837 10.601 7.751 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -12.612 10.709 7.823 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.817 10.091 6.356 1.00 0.00 H new ATOM 187 N THR A 13 -14.636 12.258 3.271 1.00 0.00 N ATOM 188 CA THR A 13 -15.764 12.573 2.411 1.00 0.00 C ATOM 189 C THR A 13 -16.599 11.319 2.145 1.00 0.00 C ATOM 190 O THR A 13 -17.821 11.396 2.026 1.00 0.00 O ATOM 191 CB THR A 13 -15.221 13.223 1.137 1.00 0.00 C ATOM 192 OG1 THR A 13 -14.178 12.346 0.718 1.00 0.00 O ATOM 193 CG2 THR A 13 -14.506 14.547 1.413 1.00 0.00 C ATOM 0 H THR A 13 -13.742 12.637 2.958 1.00 0.00 H new ATOM 0 HA THR A 13 -16.441 13.280 2.891 1.00 0.00 H new ATOM 0 HB THR A 13 -16.041 13.393 0.439 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.172 11.549 1.288 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.140 14.965 0.475 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.202 15.247 1.876 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.665 14.373 2.085 1.00 0.00 H new ATOM 201 N MET A 14 -15.906 10.193 2.059 1.00 0.00 N ATOM 202 CA MET A 14 -16.568 8.924 1.810 1.00 0.00 C ATOM 203 C MET A 14 -17.117 8.328 3.107 1.00 0.00 C ATOM 204 O MET A 14 -18.203 7.749 3.118 1.00 0.00 O ATOM 205 CB MET A 14 -15.575 7.946 1.179 1.00 0.00 C ATOM 206 CG MET A 14 -16.225 7.167 0.033 1.00 0.00 C ATOM 207 SD MET A 14 -17.104 5.753 0.677 1.00 0.00 S ATOM 208 CE MET A 14 -15.734 4.653 0.989 1.00 0.00 C ATOM 0 H MET A 14 -14.893 10.133 2.157 1.00 0.00 H new ATOM 0 HA MET A 14 -17.402 9.098 1.131 1.00 0.00 H new ATOM 0 HB2 MET A 14 -14.708 8.492 0.807 1.00 0.00 H new ATOM 0 HB3 MET A 14 -15.213 7.251 1.936 1.00 0.00 H new ATOM 0 HG2 MET A 14 -16.911 7.814 -0.514 1.00 0.00 H new ATOM 0 HG3 MET A 14 -15.462 6.840 -0.674 1.00 0.00 H new ATOM 0 HE1 MET A 14 -16.102 3.735 1.447 1.00 0.00 H new ATOM 0 HE2 MET A 14 -15.236 4.416 0.049 1.00 0.00 H new ATOM 0 HE3 MET A 14 -15.026 5.136 1.663 1.00 0.00 H new ATOM 218 N ALA A 15 -16.343 8.489 4.170 1.00 0.00 N ATOM 219 CA ALA A 15 -16.739 7.974 5.470 1.00 0.00 C ATOM 220 C ALA A 15 -18.116 8.531 5.836 1.00 0.00 C ATOM 221 O ALA A 15 -18.943 7.823 6.410 1.00 0.00 O ATOM 222 CB ALA A 15 -15.671 8.331 6.507 1.00 0.00 C ATOM 0 H ALA A 15 -15.443 8.969 4.158 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.819 6.887 5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.967 7.945 7.482 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.719 7.888 6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.565 9.414 6.562 1.00 0.00 H new ATOM 228 N ILE A 16 -18.320 9.793 5.490 1.00 0.00 N ATOM 229 CA ILE A 16 -19.583 10.452 5.775 1.00 0.00 C ATOM 230 C ILE A 16 -20.604 10.076 4.700 1.00 0.00 C ATOM 231 O ILE A 16 -21.707 9.630 5.014 1.00 0.00 O ATOM 232 CB ILE A 16 -19.378 11.961 5.927 1.00 0.00 C ATOM 233 CG1 ILE A 16 -18.472 12.273 7.119 1.00 0.00 C ATOM 234 CG2 ILE A 16 -20.720 12.690 6.021 1.00 0.00 C ATOM 235 CD1 ILE A 16 -19.129 11.849 8.434 1.00 0.00 C ATOM 0 H ILE A 16 -17.632 10.377 5.015 1.00 0.00 H new ATOM 0 HA ILE A 16 -19.984 10.110 6.729 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.874 12.329 5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -17.520 11.756 7.001 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -18.254 13.341 7.145 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -20.546 13.761 6.128 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -21.298 12.506 5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -21.273 12.324 6.886 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -18.463 12.082 9.265 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -20.069 12.386 8.561 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -19.323 10.777 8.415 1.00 0.00 H new ATOM 247 N LEU A 17 -20.201 10.269 3.452 1.00 0.00 N ATOM 248 CA LEU A 17 -21.067 9.956 2.329 1.00 0.00 C ATOM 249 C LEU A 17 -21.608 8.533 2.489 1.00 0.00 C ATOM 250 O LEU A 17 -22.798 8.292 2.290 1.00 0.00 O ATOM 251 CB LEU A 17 -20.334 10.190 1.006 1.00 0.00 C ATOM 252 CG LEU A 17 -20.488 11.582 0.392 1.00 0.00 C ATOM 253 CD1 LEU A 17 -21.935 11.837 -0.035 1.00 0.00 C ATOM 254 CD2 LEU A 17 -19.973 12.662 1.345 1.00 0.00 C ATOM 0 H LEU A 17 -19.286 10.638 3.195 1.00 0.00 H new ATOM 0 HA LEU A 17 -21.927 10.625 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -19.272 9.999 1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -20.687 9.455 0.283 1.00 0.00 H new ATOM 0 HG LEU A 17 -19.874 11.627 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.016 12.834 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -22.232 11.094 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -22.589 11.765 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -20.094 13.642 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -20.539 12.626 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -18.918 12.488 1.556 1.00 0.00 H new ATOM 266 N GLN A 18 -20.709 7.629 2.846 1.00 0.00 N ATOM 267 CA GLN A 18 -21.081 6.237 3.035 1.00 0.00 C ATOM 268 C GLN A 18 -22.206 6.124 4.066 1.00 0.00 C ATOM 269 O GLN A 18 -23.002 5.187 4.021 1.00 0.00 O ATOM 270 CB GLN A 18 -19.871 5.398 3.450 1.00 0.00 C ATOM 271 CG GLN A 18 -19.440 5.726 4.881 1.00 0.00 C ATOM 272 CD GLN A 18 -19.421 4.467 5.751 1.00 0.00 C ATOM 273 OE1 GLN A 18 -18.427 3.767 5.852 1.00 0.00 O ATOM 274 NE2 GLN A 18 -20.571 4.220 6.371 1.00 0.00 N ATOM 0 H GLN A 18 -19.723 7.833 3.010 1.00 0.00 H new ATOM 0 HA GLN A 18 -21.444 5.846 2.085 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -20.116 4.339 3.374 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -19.043 5.584 2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -18.449 6.180 4.871 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.122 6.459 5.311 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -21.365 4.848 6.243 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -20.659 3.403 6.975 1.00 0.00 H new ATOM 283 N SER A 19 -22.237 7.091 4.971 1.00 0.00 N ATOM 284 CA SER A 19 -23.251 7.112 6.010 1.00 0.00 C ATOM 285 C SER A 19 -24.152 8.336 5.838 1.00 0.00 C ATOM 286 O SER A 19 -23.911 9.379 6.443 1.00 0.00 O ATOM 287 CB SER A 19 -22.614 7.114 7.401 1.00 0.00 C ATOM 288 OG SER A 19 -21.747 8.228 7.590 1.00 0.00 O ATOM 0 H SER A 19 -21.575 7.866 5.006 1.00 0.00 H new ATOM 0 HA SER A 19 -23.854 6.209 5.917 1.00 0.00 H new ATOM 0 HB2 SER A 19 -23.398 7.132 8.158 1.00 0.00 H new ATOM 0 HB3 SER A 19 -22.054 6.190 7.544 1.00 0.00 H new ATOM 0 HG SER A 19 -22.117 9.012 7.132 1.00 0.00 H new ATOM 294 N PRO A 20 -25.199 8.164 4.987 1.00 0.00 N ATOM 295 CA PRO A 20 -26.138 9.242 4.727 1.00 0.00 C ATOM 296 C PRO A 20 -27.087 9.440 5.910 1.00 0.00 C ATOM 297 O PRO A 20 -27.917 10.348 5.900 1.00 0.00 O ATOM 298 CB PRO A 20 -26.856 8.839 3.449 1.00 0.00 C ATOM 299 CG PRO A 20 -26.627 7.344 3.297 1.00 0.00 C ATOM 300 CD PRO A 20 -25.516 6.943 4.252 1.00 0.00 C ATOM 0 HA PRO A 20 -25.647 10.207 4.604 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -27.920 9.067 3.510 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -26.462 9.384 2.591 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -27.540 6.793 3.521 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -26.353 7.102 2.270 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -25.840 6.149 4.925 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -24.646 6.569 3.712 1.00 0.00 H new ATOM 308 N GLN A 21 -26.934 8.574 6.902 1.00 0.00 N ATOM 309 CA GLN A 21 -27.768 8.642 8.090 1.00 0.00 C ATOM 310 C GLN A 21 -27.127 9.556 9.136 1.00 0.00 C ATOM 311 O GLN A 21 -27.498 9.518 10.308 1.00 0.00 O ATOM 312 CB GLN A 21 -28.021 7.246 8.662 1.00 0.00 C ATOM 313 CG GLN A 21 -29.473 7.096 9.120 1.00 0.00 C ATOM 314 CD GLN A 21 -29.544 6.581 10.559 1.00 0.00 C ATOM 315 OE1 GLN A 21 -28.630 5.953 11.067 1.00 0.00 O ATOM 316 NE2 GLN A 21 -30.678 6.882 11.185 1.00 0.00 N ATOM 0 H GLN A 21 -26.245 7.822 6.907 1.00 0.00 H new ATOM 0 HA GLN A 21 -28.733 9.064 7.810 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -27.795 6.493 7.907 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -27.350 7.066 9.502 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -29.982 8.057 9.049 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -29.998 6.408 8.457 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -31.403 7.411 10.701 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -30.823 6.584 12.150 1.00 0.00 H new ATOM 325 N LYS A 22 -26.177 10.356 8.675 1.00 0.00 N ATOM 326 CA LYS A 22 -25.481 11.278 9.556 1.00 0.00 C ATOM 327 C LYS A 22 -25.328 10.638 10.938 1.00 0.00 C ATOM 328 O LYS A 22 -25.940 11.088 11.905 1.00 0.00 O ATOM 329 CB LYS A 22 -26.191 12.633 9.582 1.00 0.00 C ATOM 330 CG LYS A 22 -27.543 12.531 10.290 1.00 0.00 C ATOM 331 CD LYS A 22 -27.658 13.573 11.404 1.00 0.00 C ATOM 332 CE LYS A 22 -28.673 14.658 11.037 1.00 0.00 C ATOM 333 NZ LYS A 22 -28.943 15.530 12.202 1.00 0.00 N ATOM 0 H LYS A 22 -25.873 10.385 7.702 1.00 0.00 H new ATOM 0 HA LYS A 22 -24.477 11.477 9.183 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -25.565 13.366 10.091 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -26.337 12.991 8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -28.347 12.675 9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -27.664 11.532 10.708 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -27.959 13.087 12.332 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -26.684 14.027 11.584 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -28.292 15.255 10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -29.601 14.197 10.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -29.634 16.261 11.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -29.326 14.959 12.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -28.059 15.984 12.508 1.00 0.00 H new ATOM 347 N LYS A 23 -24.507 9.599 10.985 1.00 0.00 N ATOM 348 CA LYS A 23 -24.265 8.893 12.232 1.00 0.00 C ATOM 349 C LYS A 23 -23.262 7.764 11.988 1.00 0.00 C ATOM 350 O LYS A 23 -23.569 6.796 11.294 1.00 0.00 O ATOM 351 CB LYS A 23 -25.585 8.421 12.845 1.00 0.00 C ATOM 352 CG LYS A 23 -25.871 9.150 14.160 1.00 0.00 C ATOM 353 CD LYS A 23 -27.278 8.831 14.669 1.00 0.00 C ATOM 354 CE LYS A 23 -28.110 10.107 14.817 1.00 0.00 C ATOM 355 NZ LYS A 23 -29.249 9.879 15.734 1.00 0.00 N ATOM 0 H LYS A 23 -24.001 9.229 10.180 1.00 0.00 H new ATOM 0 HA LYS A 23 -23.819 9.562 12.968 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -26.400 8.597 12.143 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -25.544 7.346 13.022 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -25.135 8.859 14.909 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -25.768 10.225 14.014 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -27.772 8.148 13.978 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -27.214 8.321 15.630 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -27.484 10.914 15.198 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -28.479 10.423 13.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -29.803 10.754 15.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -29.854 9.123 15.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -28.891 9.599 16.669 1.00 0.00 H new ATOM 369 N LEU A 24 -22.084 7.926 12.572 1.00 0.00 N ATOM 370 CA LEU A 24 -21.034 6.932 12.426 1.00 0.00 C ATOM 371 C LEU A 24 -20.056 7.054 13.596 1.00 0.00 C ATOM 372 O LEU A 24 -20.170 7.967 14.412 1.00 0.00 O ATOM 373 CB LEU A 24 -20.369 7.053 11.053 1.00 0.00 C ATOM 374 CG LEU A 24 -19.916 8.457 10.649 1.00 0.00 C ATOM 375 CD1 LEU A 24 -18.737 8.394 9.676 1.00 0.00 C ATOM 376 CD2 LEU A 24 -21.083 9.267 10.082 1.00 0.00 C ATOM 0 H LEU A 24 -21.833 8.730 13.147 1.00 0.00 H new ATOM 0 HA LEU A 24 -21.453 5.927 12.464 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -19.502 6.393 11.032 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -21.067 6.687 10.300 1.00 0.00 H new ATOM 0 HG LEU A 24 -19.569 8.974 11.543 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -18.435 9.405 9.405 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -17.901 7.880 10.150 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -19.034 7.851 8.779 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -20.734 10.261 9.803 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -21.483 8.762 9.203 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -21.865 9.356 10.836 1.00 0.00 H new ATOM 388 N THR A 25 -19.116 6.121 13.641 1.00 0.00 N ATOM 389 CA THR A 25 -18.119 6.113 14.697 1.00 0.00 C ATOM 390 C THR A 25 -16.713 6.228 14.105 1.00 0.00 C ATOM 391 O THR A 25 -16.348 5.467 13.210 1.00 0.00 O ATOM 392 CB THR A 25 -18.325 4.847 15.532 1.00 0.00 C ATOM 393 OG1 THR A 25 -19.604 5.031 16.132 1.00 0.00 O ATOM 394 CG2 THR A 25 -17.364 4.767 16.720 1.00 0.00 C ATOM 0 H THR A 25 -19.024 5.365 12.962 1.00 0.00 H new ATOM 0 HA THR A 25 -18.232 6.975 15.354 1.00 0.00 H new ATOM 0 HB THR A 25 -18.194 3.969 14.899 1.00 0.00 H new ATOM 0 HG1 THR A 25 -19.498 5.144 17.100 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.552 3.850 17.279 1.00 0.00 H new ATOM 0 HG22 THR A 25 -16.336 4.766 16.357 1.00 0.00 H new ATOM 0 HG23 THR A 25 -17.518 5.627 17.371 1.00 0.00 H new ATOM 402 N LEU A 26 -15.962 7.187 14.627 1.00 0.00 N ATOM 403 CA LEU A 26 -14.605 7.412 14.161 1.00 0.00 C ATOM 404 C LEU A 26 -13.838 6.088 14.181 1.00 0.00 C ATOM 405 O LEU A 26 -13.124 5.766 13.232 1.00 0.00 O ATOM 406 CB LEU A 26 -13.936 8.522 14.974 1.00 0.00 C ATOM 407 CG LEU A 26 -12.414 8.618 14.854 1.00 0.00 C ATOM 408 CD1 LEU A 26 -11.726 7.614 15.781 1.00 0.00 C ATOM 409 CD2 LEU A 26 -11.968 8.454 13.399 1.00 0.00 C ATOM 0 H LEU A 26 -16.268 7.817 15.368 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.610 7.763 13.129 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.365 9.477 14.670 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.189 8.379 16.024 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.108 9.614 15.175 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.645 7.703 15.676 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.008 7.819 16.814 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.034 6.603 15.515 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.882 8.526 13.341 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.287 7.480 13.028 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.417 9.239 12.790 1.00 0.00 H new ATOM 421 N SER A 27 -14.010 5.357 15.272 1.00 0.00 N ATOM 422 CA SER A 27 -13.343 4.076 15.428 1.00 0.00 C ATOM 423 C SER A 27 -13.726 3.143 14.277 1.00 0.00 C ATOM 424 O SER A 27 -12.857 2.639 13.567 1.00 0.00 O ATOM 425 CB SER A 27 -13.692 3.432 16.771 1.00 0.00 C ATOM 426 OG SER A 27 -13.720 2.010 16.691 1.00 0.00 O ATOM 0 H SER A 27 -14.602 5.628 16.057 1.00 0.00 H new ATOM 0 HA SER A 27 -12.267 4.247 15.407 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.962 3.738 17.520 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.664 3.795 17.105 1.00 0.00 H new ATOM 0 HG SER A 27 -14.409 1.662 17.294 1.00 0.00 H new ATOM 432 N GLY A 28 -15.027 2.942 14.129 1.00 0.00 N ATOM 433 CA GLY A 28 -15.535 2.079 13.076 1.00 0.00 C ATOM 434 C GLY A 28 -15.071 2.560 11.700 1.00 0.00 C ATOM 435 O GLY A 28 -14.965 1.768 10.765 1.00 0.00 O ATOM 0 H GLY A 28 -15.744 3.362 14.720 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.193 1.057 13.242 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.624 2.060 13.110 1.00 0.00 H new ATOM 439 N ILE A 29 -14.805 3.856 11.620 1.00 0.00 N ATOM 440 CA ILE A 29 -14.354 4.452 10.374 1.00 0.00 C ATOM 441 C ILE A 29 -12.914 4.017 10.098 1.00 0.00 C ATOM 442 O ILE A 29 -12.598 3.561 9.000 1.00 0.00 O ATOM 443 CB ILE A 29 -14.543 5.970 10.407 1.00 0.00 C ATOM 444 CG1 ILE A 29 -15.814 6.380 9.660 1.00 0.00 C ATOM 445 CG2 ILE A 29 -13.305 6.688 9.867 1.00 0.00 C ATOM 446 CD1 ILE A 29 -17.027 5.598 10.171 1.00 0.00 C ATOM 0 H ILE A 29 -14.893 4.510 12.398 1.00 0.00 H new ATOM 0 HA ILE A 29 -14.960 4.097 9.540 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.666 6.277 11.446 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -15.986 7.449 9.787 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -15.686 6.202 8.592 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.465 7.766 9.901 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.440 6.430 10.478 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.127 6.380 8.837 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -17.917 5.908 9.624 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -16.862 4.531 10.020 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -17.167 5.797 11.234 1.00 0.00 H new ATOM 458 N CYS A 30 -12.077 4.174 11.113 1.00 0.00 N ATOM 459 CA CYS A 30 -10.677 3.804 10.994 1.00 0.00 C ATOM 460 C CYS A 30 -10.603 2.338 10.561 1.00 0.00 C ATOM 461 O CYS A 30 -9.723 1.959 9.790 1.00 0.00 O ATOM 462 CB CYS A 30 -9.913 4.054 12.296 1.00 0.00 C ATOM 463 SG CYS A 30 -9.609 5.846 12.509 1.00 0.00 S ATOM 0 H CYS A 30 -12.342 4.553 12.022 1.00 0.00 H new ATOM 0 HA CYS A 30 -10.196 4.429 10.242 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -10.484 3.671 13.142 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -8.966 3.515 12.281 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.962 6.047 13.618 1.00 0.00 H new ATOM 469 N GLU A 31 -11.539 1.554 11.076 1.00 0.00 N ATOM 470 CA GLU A 31 -11.591 0.139 10.753 1.00 0.00 C ATOM 471 C GLU A 31 -12.084 -0.060 9.318 1.00 0.00 C ATOM 472 O GLU A 31 -11.618 -0.956 8.616 1.00 0.00 O ATOM 473 CB GLU A 31 -12.474 -0.619 11.746 1.00 0.00 C ATOM 474 CG GLU A 31 -11.625 -1.422 12.733 1.00 0.00 C ATOM 475 CD GLU A 31 -12.317 -2.733 13.111 1.00 0.00 C ATOM 476 OE1 GLU A 31 -13.503 -2.659 13.497 1.00 0.00 O ATOM 477 OE2 GLU A 31 -11.643 -3.781 13.004 1.00 0.00 O ATOM 0 H GLU A 31 -12.267 1.873 11.715 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.583 -0.268 10.830 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.102 0.086 12.291 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.142 -1.290 11.206 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.651 -1.635 12.292 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.446 -0.829 13.630 1.00 0.00 H new ATOM 484 N PHE A 32 -13.020 0.791 8.925 1.00 0.00 N ATOM 485 CA PHE A 32 -13.581 0.720 7.586 1.00 0.00 C ATOM 486 C PHE A 32 -12.535 1.087 6.533 1.00 0.00 C ATOM 487 O PHE A 32 -12.568 0.575 5.415 1.00 0.00 O ATOM 488 CB PHE A 32 -14.725 1.735 7.527 1.00 0.00 C ATOM 489 CG PHE A 32 -14.573 2.780 6.420 1.00 0.00 C ATOM 490 CD1 PHE A 32 -14.705 2.414 5.116 1.00 0.00 C ATOM 491 CD2 PHE A 32 -14.305 4.074 6.739 1.00 0.00 C ATOM 492 CE1 PHE A 32 -14.564 3.384 4.089 1.00 0.00 C ATOM 493 CE2 PHE A 32 -14.163 5.044 5.711 1.00 0.00 C ATOM 494 CZ PHE A 32 -14.296 4.679 4.408 1.00 0.00 C ATOM 0 H PHE A 32 -13.404 1.533 9.510 1.00 0.00 H new ATOM 0 HA PHE A 32 -13.925 -0.294 7.380 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -15.664 1.201 7.382 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -14.794 2.246 8.488 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -14.917 1.386 4.862 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -14.200 4.365 7.774 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -14.670 3.094 3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -13.949 6.072 5.965 1.00 0.00 H new ATOM 0 HZ PHE A 32 -14.189 5.417 3.627 1.00 0.00 H new ATOM 504 N ILE A 33 -11.630 1.971 6.926 1.00 0.00 N ATOM 505 CA ILE A 33 -10.575 2.413 6.030 1.00 0.00 C ATOM 506 C ILE A 33 -9.535 1.300 5.885 1.00 0.00 C ATOM 507 O ILE A 33 -9.268 0.835 4.778 1.00 0.00 O ATOM 508 CB ILE A 33 -9.989 3.744 6.506 1.00 0.00 C ATOM 509 CG1 ILE A 33 -10.823 4.922 6.000 1.00 0.00 C ATOM 510 CG2 ILE A 33 -8.518 3.869 6.107 1.00 0.00 C ATOM 511 CD1 ILE A 33 -10.679 6.133 6.924 1.00 0.00 C ATOM 0 H ILE A 33 -11.606 2.394 7.854 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.977 2.606 5.035 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.030 3.766 7.595 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -10.507 5.190 4.992 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.871 4.630 5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.126 4.824 6.457 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.949 3.056 6.557 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.430 3.817 5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -11.282 6.956 6.541 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -11.019 5.869 7.925 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.633 6.437 6.964 1.00 0.00 H new ATOM 523 N SER A 34 -8.977 0.905 7.020 1.00 0.00 N ATOM 524 CA SER A 34 -7.972 -0.145 7.034 1.00 0.00 C ATOM 525 C SER A 34 -8.513 -1.396 6.339 1.00 0.00 C ATOM 526 O SER A 34 -7.746 -2.187 5.791 1.00 0.00 O ATOM 527 CB SER A 34 -7.542 -0.477 8.464 1.00 0.00 C ATOM 528 OG SER A 34 -8.571 -1.144 9.190 1.00 0.00 O ATOM 0 H SER A 34 -9.202 1.293 7.936 1.00 0.00 H new ATOM 0 HA SER A 34 -7.096 0.213 6.494 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.651 -1.105 8.438 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.269 0.442 8.983 1.00 0.00 H new ATOM 0 HG SER A 34 -9.444 -0.902 8.817 1.00 0.00 H new ATOM 534 N ASN A 35 -9.830 -1.537 6.383 1.00 0.00 N ATOM 535 CA ASN A 35 -10.482 -2.678 5.764 1.00 0.00 C ATOM 536 C ASN A 35 -10.458 -2.511 4.244 1.00 0.00 C ATOM 537 O ASN A 35 -10.025 -3.410 3.524 1.00 0.00 O ATOM 538 CB ASN A 35 -11.943 -2.783 6.205 1.00 0.00 C ATOM 539 CG ASN A 35 -12.143 -3.957 7.165 1.00 0.00 C ATOM 540 OD1 ASN A 35 -12.073 -5.117 6.792 1.00 0.00 O ATOM 541 ND2 ASN A 35 -12.396 -3.594 8.419 1.00 0.00 N ATOM 0 H ASN A 35 -10.463 -0.879 6.838 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.948 -3.578 6.068 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.248 -1.856 6.690 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.582 -2.910 5.331 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.545 -4.305 9.135 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.441 -2.605 8.664 1.00 0.00 H new ATOM 548 N ARG A 36 -10.928 -1.355 3.800 1.00 0.00 N ATOM 549 CA ARG A 36 -10.966 -1.059 2.378 1.00 0.00 C ATOM 550 C ARG A 36 -9.545 -0.964 1.817 1.00 0.00 C ATOM 551 O ARG A 36 -9.190 -1.690 0.890 1.00 0.00 O ATOM 552 CB ARG A 36 -11.702 0.255 2.108 1.00 0.00 C ATOM 553 CG ARG A 36 -13.178 0.146 2.492 1.00 0.00 C ATOM 554 CD ARG A 36 -13.912 -0.836 1.576 1.00 0.00 C ATOM 555 NE ARG A 36 -14.712 -0.095 0.576 1.00 0.00 N ATOM 556 CZ ARG A 36 -14.333 0.101 -0.694 1.00 0.00 C ATOM 557 NH1 ARG A 36 -13.163 -0.388 -1.127 1.00 0.00 N ATOM 558 NH2 ARG A 36 -15.124 0.787 -1.531 1.00 0.00 N ATOM 0 H ARG A 36 -11.286 -0.612 4.400 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.502 -1.870 1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.234 1.061 2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.615 0.514 1.053 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.265 -0.183 3.528 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.647 1.128 2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.193 -1.482 1.072 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.561 -1.481 2.167 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.609 0.291 0.872 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.561 -0.909 -0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.874 -0.239 -2.094 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.014 1.160 -1.201 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.836 0.936 -2.498 1.00 0.00 H new ATOM 572 N PHE A 37 -8.771 -0.063 2.404 1.00 0.00 N ATOM 573 CA PHE A 37 -7.397 0.136 1.975 1.00 0.00 C ATOM 574 C PHE A 37 -6.439 -0.749 2.775 1.00 0.00 C ATOM 575 O PHE A 37 -6.314 -0.596 3.989 1.00 0.00 O ATOM 576 CB PHE A 37 -7.055 1.604 2.236 1.00 0.00 C ATOM 577 CG PHE A 37 -8.149 2.583 1.808 1.00 0.00 C ATOM 578 CD1 PHE A 37 -8.229 2.991 0.513 1.00 0.00 C ATOM 579 CD2 PHE A 37 -9.043 3.047 2.723 1.00 0.00 C ATOM 580 CE1 PHE A 37 -9.245 3.900 0.116 1.00 0.00 C ATOM 581 CE2 PHE A 37 -10.058 3.956 2.326 1.00 0.00 C ATOM 582 CZ PHE A 37 -10.138 4.364 1.031 1.00 0.00 C ATOM 0 H PHE A 37 -9.069 0.537 3.173 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.295 -0.124 0.921 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.859 1.737 3.300 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.134 1.851 1.708 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.520 2.623 -0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -8.980 2.723 3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -9.309 4.223 -0.913 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.767 4.324 3.053 1.00 0.00 H new ATOM 0 HZ PHE A 37 -10.910 5.056 0.729 1.00 0.00 H new ATOM 592 N PRO A 38 -5.769 -1.680 2.043 1.00 0.00 N ATOM 593 CA PRO A 38 -4.826 -2.589 2.672 1.00 0.00 C ATOM 594 C PRO A 38 -3.520 -1.872 3.019 1.00 0.00 C ATOM 595 O PRO A 38 -2.918 -2.138 4.058 1.00 0.00 O ATOM 596 CB PRO A 38 -4.637 -3.715 1.669 1.00 0.00 C ATOM 597 CG PRO A 38 -5.114 -3.168 0.333 1.00 0.00 C ATOM 598 CD PRO A 38 -5.892 -1.890 0.604 1.00 0.00 C ATOM 0 HA PRO A 38 -5.188 -2.977 3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.592 -4.019 1.616 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.211 -4.596 1.958 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.266 -2.967 -0.322 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.744 -3.898 -0.176 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.481 -1.050 0.045 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.936 -1.991 0.306 1.00 0.00 H new ATOM 606 N TYR A 39 -3.121 -0.975 2.129 1.00 0.00 N ATOM 607 CA TYR A 39 -1.897 -0.217 2.327 1.00 0.00 C ATOM 608 C TYR A 39 -1.866 0.420 3.718 1.00 0.00 C ATOM 609 O TYR A 39 -0.834 0.408 4.387 1.00 0.00 O ATOM 610 CB TYR A 39 -1.911 0.891 1.272 1.00 0.00 C ATOM 611 CG TYR A 39 -1.101 2.129 1.660 1.00 0.00 C ATOM 612 CD1 TYR A 39 0.227 2.002 2.012 1.00 0.00 C ATOM 613 CD2 TYR A 39 -1.698 3.373 1.657 1.00 0.00 C ATOM 614 CE1 TYR A 39 0.990 3.168 2.377 1.00 0.00 C ATOM 615 CE2 TYR A 39 -0.936 4.539 2.022 1.00 0.00 C ATOM 616 CZ TYR A 39 0.371 4.379 2.364 1.00 0.00 C ATOM 617 OH TYR A 39 1.091 5.480 2.708 1.00 0.00 O ATOM 0 H TYR A 39 -3.624 -0.756 1.269 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.026 -0.866 2.240 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.520 0.492 0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.943 1.188 1.086 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.694 1.028 2.014 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.737 3.472 1.381 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.030 3.083 2.655 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.392 5.518 2.024 1.00 0.00 H new ATOM 0 HH TYR A 39 0.520 6.275 2.653 1.00 0.00 H new ATOM 627 N TYR A 40 -3.010 0.960 4.112 1.00 0.00 N ATOM 628 CA TYR A 40 -3.128 1.600 5.411 1.00 0.00 C ATOM 629 C TYR A 40 -2.966 0.581 6.541 1.00 0.00 C ATOM 630 O TYR A 40 -2.444 0.908 7.606 1.00 0.00 O ATOM 631 CB TYR A 40 -4.540 2.186 5.467 1.00 0.00 C ATOM 632 CG TYR A 40 -4.677 3.547 4.782 1.00 0.00 C ATOM 633 CD1 TYR A 40 -4.540 3.647 3.412 1.00 0.00 C ATOM 634 CD2 TYR A 40 -4.937 4.675 5.533 1.00 0.00 C ATOM 635 CE1 TYR A 40 -4.668 4.928 2.767 1.00 0.00 C ATOM 636 CE2 TYR A 40 -5.065 5.956 4.888 1.00 0.00 C ATOM 637 CZ TYR A 40 -4.925 6.019 3.537 1.00 0.00 C ATOM 638 OH TYR A 40 -5.046 7.229 2.928 1.00 0.00 O ATOM 0 H TYR A 40 -3.864 0.967 3.554 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.356 2.359 5.536 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.232 1.485 5.001 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.840 2.284 6.510 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.337 2.764 2.824 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.045 4.597 6.605 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.562 5.020 1.696 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.268 6.847 5.464 1.00 0.00 H new ATOM 0 HH TYR A 40 -5.459 7.867 3.547 1.00 0.00 H new ATOM 648 N ARG A 41 -3.423 -0.632 6.271 1.00 0.00 N ATOM 649 CA ARG A 41 -3.336 -1.701 7.251 1.00 0.00 C ATOM 650 C ARG A 41 -1.884 -2.157 7.412 1.00 0.00 C ATOM 651 O ARG A 41 -1.421 -2.383 8.529 1.00 0.00 O ATOM 652 CB ARG A 41 -4.196 -2.898 6.840 1.00 0.00 C ATOM 653 CG ARG A 41 -4.223 -3.958 7.942 1.00 0.00 C ATOM 654 CD ARG A 41 -3.347 -5.157 7.571 1.00 0.00 C ATOM 655 NE ARG A 41 -3.021 -5.940 8.784 1.00 0.00 N ATOM 656 CZ ARG A 41 -2.678 -7.235 8.772 1.00 0.00 C ATOM 657 NH1 ARG A 41 -2.614 -7.901 7.611 1.00 0.00 N ATOM 658 NH2 ARG A 41 -2.399 -7.865 9.921 1.00 0.00 N ATOM 0 H ARG A 41 -3.855 -0.899 5.387 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.706 -1.311 8.199 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.211 -2.564 6.627 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.804 -3.334 5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.873 -3.523 8.878 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.248 -4.289 8.108 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.866 -5.788 6.850 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.430 -4.814 7.092 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.060 -5.464 9.685 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.826 -7.422 6.736 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.353 -8.887 7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.448 -7.359 10.805 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.138 -8.851 9.912 1.00 0.00 H new ATOM 672 N GLU A 42 -1.207 -2.278 6.280 1.00 0.00 N ATOM 673 CA GLU A 42 0.183 -2.702 6.281 1.00 0.00 C ATOM 674 C GLU A 42 1.099 -1.520 6.604 1.00 0.00 C ATOM 675 O GLU A 42 2.286 -1.704 6.867 1.00 0.00 O ATOM 676 CB GLU A 42 0.563 -3.340 4.943 1.00 0.00 C ATOM 677 CG GLU A 42 0.385 -4.859 4.991 1.00 0.00 C ATOM 678 CD GLU A 42 1.716 -5.574 4.748 1.00 0.00 C ATOM 679 OE1 GLU A 42 2.673 -5.260 5.489 1.00 0.00 O ATOM 680 OE2 GLU A 42 1.747 -6.419 3.828 1.00 0.00 O ATOM 0 H GLU A 42 -1.595 -2.090 5.356 1.00 0.00 H new ATOM 0 HA GLU A 42 0.311 -3.458 7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.055 -2.923 4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.598 -3.099 4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.017 -5.151 5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.341 -5.168 4.239 1.00 0.00 H new ATOM 687 N LYS A 43 0.512 -0.332 6.574 1.00 0.00 N ATOM 688 CA LYS A 43 1.260 0.880 6.860 1.00 0.00 C ATOM 689 C LYS A 43 0.374 1.848 7.646 1.00 0.00 C ATOM 690 O LYS A 43 -0.081 2.856 7.108 1.00 0.00 O ATOM 691 CB LYS A 43 1.829 1.476 5.571 1.00 0.00 C ATOM 692 CG LYS A 43 3.250 0.972 5.314 1.00 0.00 C ATOM 693 CD LYS A 43 4.088 2.034 4.600 1.00 0.00 C ATOM 694 CE LYS A 43 5.447 1.470 4.179 1.00 0.00 C ATOM 695 NZ LYS A 43 5.432 1.098 2.747 1.00 0.00 N ATOM 0 H LYS A 43 -0.473 -0.183 6.356 1.00 0.00 H new ATOM 0 HA LYS A 43 2.122 0.655 7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.188 1.211 4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.832 2.564 5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.722 0.707 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.214 0.065 4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.552 2.395 3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.234 2.890 5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.227 2.210 4.361 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.689 0.597 4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.361 0.717 2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.701 0.376 2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.223 1.939 2.172 1.00 0.00 H new ATOM 709 N PHE A 44 0.154 1.507 8.908 1.00 0.00 N ATOM 710 CA PHE A 44 -0.670 2.334 9.773 1.00 0.00 C ATOM 711 C PHE A 44 0.167 2.967 10.886 1.00 0.00 C ATOM 712 O PHE A 44 0.116 2.527 12.034 1.00 0.00 O ATOM 713 CB PHE A 44 -1.720 1.415 10.402 1.00 0.00 C ATOM 714 CG PHE A 44 -2.966 2.147 10.904 1.00 0.00 C ATOM 715 CD1 PHE A 44 -2.869 3.428 11.350 1.00 0.00 C ATOM 716 CD2 PHE A 44 -4.171 1.516 10.905 1.00 0.00 C ATOM 717 CE1 PHE A 44 -4.026 4.107 11.816 1.00 0.00 C ATOM 718 CE2 PHE A 44 -5.328 2.195 11.372 1.00 0.00 C ATOM 719 CZ PHE A 44 -5.230 3.476 11.818 1.00 0.00 C ATOM 0 H PHE A 44 0.532 0.670 9.351 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.126 3.138 9.195 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.021 0.668 9.668 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.266 0.878 11.235 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.912 3.929 11.350 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.248 0.499 10.551 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.949 5.125 12.169 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.285 1.694 11.373 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.109 3.992 12.174 1.00 0.00 H new ATOM 729 N PRO A 45 0.939 4.018 10.498 1.00 0.00 N ATOM 730 CA PRO A 45 1.786 4.716 11.450 1.00 0.00 C ATOM 731 C PRO A 45 0.955 5.619 12.363 1.00 0.00 C ATOM 732 O PRO A 45 1.351 6.747 12.654 1.00 0.00 O ATOM 733 CB PRO A 45 2.782 5.487 10.598 1.00 0.00 C ATOM 734 CG PRO A 45 2.170 5.563 9.209 1.00 0.00 C ATOM 735 CD PRO A 45 1.025 4.566 9.148 1.00 0.00 C ATOM 0 HA PRO A 45 2.303 4.039 12.129 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.954 6.484 11.004 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.748 4.982 10.572 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.809 6.571 9.006 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.917 5.333 8.450 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.093 5.051 8.857 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.220 3.784 8.415 1.00 0.00 H new ATOM 743 N ALA A 46 -0.182 5.090 12.791 1.00 0.00 N ATOM 744 CA ALA A 46 -1.071 5.834 13.666 1.00 0.00 C ATOM 745 C ALA A 46 -1.578 7.077 12.932 1.00 0.00 C ATOM 746 O ALA A 46 -1.361 8.201 13.384 1.00 0.00 O ATOM 747 CB ALA A 46 -0.339 6.181 14.964 1.00 0.00 C ATOM 0 H ALA A 46 -0.508 4.155 12.548 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.939 5.231 13.933 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.007 6.739 15.620 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.025 5.263 15.461 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.537 6.788 14.736 1.00 0.00 H new ATOM 753 N TRP A 47 -2.244 6.834 11.813 1.00 0.00 N ATOM 754 CA TRP A 47 -2.783 7.920 11.012 1.00 0.00 C ATOM 755 C TRP A 47 -4.117 8.345 11.629 1.00 0.00 C ATOM 756 O TRP A 47 -4.829 9.177 11.067 1.00 0.00 O ATOM 757 CB TRP A 47 -2.908 7.510 9.544 1.00 0.00 C ATOM 758 CG TRP A 47 -3.516 6.121 9.335 1.00 0.00 C ATOM 759 CD1 TRP A 47 -2.875 4.964 9.122 1.00 0.00 C ATOM 760 CD2 TRP A 47 -4.920 5.789 9.329 1.00 0.00 C ATOM 761 NE1 TRP A 47 -3.760 3.914 8.979 1.00 0.00 N ATOM 762 CE2 TRP A 47 -5.043 4.432 9.109 1.00 0.00 C ATOM 763 CE3 TRP A 47 -6.049 6.608 9.504 1.00 0.00 C ATOM 764 CZ2 TRP A 47 -6.278 3.775 9.044 1.00 0.00 C ATOM 765 CZ3 TRP A 47 -7.276 5.936 9.435 1.00 0.00 C ATOM 766 CH2 TRP A 47 -7.416 4.571 9.215 1.00 0.00 C ATOM 0 H TRP A 47 -2.423 5.901 11.442 1.00 0.00 H new ATOM 0 HA TRP A 47 -2.107 8.775 11.018 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -3.521 8.246 9.023 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.920 7.536 9.085 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -1.801 4.865 9.069 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.517 2.938 8.809 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.976 7.671 9.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.348 2.711 8.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -8.176 6.519 9.562 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -8.399 4.126 9.176 1.00 0.00 H new ATOM 777 N GLN A 48 -4.416 7.755 12.777 1.00 0.00 N ATOM 778 CA GLN A 48 -5.652 8.062 13.477 1.00 0.00 C ATOM 779 C GLN A 48 -5.789 9.573 13.675 1.00 0.00 C ATOM 780 O GLN A 48 -6.857 10.139 13.446 1.00 0.00 O ATOM 781 CB GLN A 48 -5.723 7.325 14.815 1.00 0.00 C ATOM 782 CG GLN A 48 -4.494 7.630 15.674 1.00 0.00 C ATOM 783 CD GLN A 48 -4.842 8.600 16.805 1.00 0.00 C ATOM 784 OE1 GLN A 48 -5.903 9.363 16.556 1.00 0.00 O flip ATOM 785 NE2 GLN A 48 -4.191 8.652 17.836 1.00 0.00 N flip ATOM 0 H GLN A 48 -3.824 7.066 13.240 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.487 7.718 12.866 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.627 7.619 15.349 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.792 6.251 14.640 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.100 6.704 16.093 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.708 8.058 15.052 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.387 8.037 17.963 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.451 9.310 18.571 1.00 0.00 H new ATOM 794 N ASN A 49 -4.692 10.184 14.099 1.00 0.00 N ATOM 795 CA ASN A 49 -4.675 11.618 14.331 1.00 0.00 C ATOM 796 C ASN A 49 -4.896 12.347 13.005 1.00 0.00 C ATOM 797 O ASN A 49 -5.573 13.373 12.961 1.00 0.00 O ATOM 798 CB ASN A 49 -3.329 12.068 14.901 1.00 0.00 C ATOM 799 CG ASN A 49 -3.092 11.470 16.289 1.00 0.00 C ATOM 800 OD1 ASN A 49 -3.998 11.323 17.093 1.00 0.00 O ATOM 801 ND2 ASN A 49 -1.827 11.133 16.524 1.00 0.00 N ATOM 0 H ASN A 49 -3.808 9.711 14.288 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.465 11.854 15.044 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.526 11.765 14.229 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.301 13.156 14.961 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.566 10.724 17.422 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.118 11.283 15.807 1.00 0.00 H new ATOM 808 N SER A 50 -4.310 11.789 11.955 1.00 0.00 N ATOM 809 CA SER A 50 -4.434 12.374 10.631 1.00 0.00 C ATOM 810 C SER A 50 -5.884 12.280 10.151 1.00 0.00 C ATOM 811 O SER A 50 -6.518 13.298 9.877 1.00 0.00 O ATOM 812 CB SER A 50 -3.500 11.684 9.635 1.00 0.00 C ATOM 813 OG SER A 50 -2.199 11.476 10.179 1.00 0.00 O ATOM 0 H SER A 50 -3.748 10.938 11.995 1.00 0.00 H new ATOM 0 HA SER A 50 -4.145 13.423 10.692 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.928 10.725 9.341 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.423 12.289 8.732 1.00 0.00 H new ATOM 0 HG SER A 50 -1.684 10.895 9.581 1.00 0.00 H new ATOM 819 N ILE A 51 -6.366 11.049 10.063 1.00 0.00 N ATOM 820 CA ILE A 51 -7.730 10.810 9.621 1.00 0.00 C ATOM 821 C ILE A 51 -8.688 11.673 10.444 1.00 0.00 C ATOM 822 O ILE A 51 -9.402 12.510 9.895 1.00 0.00 O ATOM 823 CB ILE A 51 -8.053 9.315 9.669 1.00 0.00 C ATOM 824 CG1 ILE A 51 -9.494 9.051 9.225 1.00 0.00 C ATOM 825 CG2 ILE A 51 -7.765 8.736 11.055 1.00 0.00 C ATOM 826 CD1 ILE A 51 -9.576 8.874 7.708 1.00 0.00 C ATOM 0 H ILE A 51 -5.837 10.207 10.290 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.850 11.106 8.579 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.399 8.801 8.964 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.873 8.157 9.720 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.131 9.880 9.533 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.003 7.672 11.062 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.711 8.873 11.295 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.376 9.249 11.798 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.610 8.688 7.419 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.219 9.779 7.216 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.957 8.029 7.406 1.00 0.00 H new ATOM 838 N ARG A 52 -8.671 11.440 11.748 1.00 0.00 N ATOM 839 CA ARG A 52 -9.529 12.185 12.653 1.00 0.00 C ATOM 840 C ARG A 52 -9.365 13.689 12.422 1.00 0.00 C ATOM 841 O ARG A 52 -10.351 14.417 12.327 1.00 0.00 O ATOM 842 CB ARG A 52 -9.204 11.862 14.113 1.00 0.00 C ATOM 843 CG ARG A 52 -10.477 11.817 14.961 1.00 0.00 C ATOM 844 CD ARG A 52 -10.464 12.914 16.028 1.00 0.00 C ATOM 845 NE ARG A 52 -10.089 14.209 15.418 1.00 0.00 N ATOM 846 CZ ARG A 52 -10.568 15.395 15.817 1.00 0.00 C ATOM 847 NH1 ARG A 52 -11.445 15.456 16.829 1.00 0.00 N ATOM 848 NH2 ARG A 52 -10.172 16.519 15.205 1.00 0.00 N ATOM 0 H ARG A 52 -8.076 10.745 12.200 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.559 11.892 12.449 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.690 10.903 14.171 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.523 12.613 14.513 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.350 11.939 14.320 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.566 10.841 15.439 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.447 12.993 16.493 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.758 12.657 16.817 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.424 14.198 14.645 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.747 14.600 17.294 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.810 16.358 17.134 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.505 16.472 14.434 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.537 17.421 15.510 1.00 0.00 H new ATOM 862 N HIS A 53 -8.111 14.109 12.339 1.00 0.00 N ATOM 863 CA HIS A 53 -7.805 15.512 12.121 1.00 0.00 C ATOM 864 C HIS A 53 -8.527 16.006 10.865 1.00 0.00 C ATOM 865 O HIS A 53 -9.312 16.950 10.928 1.00 0.00 O ATOM 866 CB HIS A 53 -6.292 15.736 12.062 1.00 0.00 C ATOM 867 CG HIS A 53 -5.887 17.009 11.359 1.00 0.00 C ATOM 868 ND1 HIS A 53 -5.871 17.329 10.033 1.00 0.00 N flip ATOM 869 CD2 HIS A 53 -5.432 18.127 12.036 1.00 0.00 C flip ATOM 870 CE1 HIS A 53 -5.432 18.576 9.908 1.00 0.00 C flip ATOM 871 NE2 HIS A 53 -5.158 19.072 11.149 1.00 0.00 N flip ATOM 0 H HIS A 53 -7.295 13.502 12.419 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.168 16.102 12.963 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.898 15.753 13.078 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.829 14.890 11.554 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.319 18.214 13.107 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -5.312 19.110 8.977 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.804 20.006 11.357 1.00 0.00 H new ATOM 879 N ASN A 54 -8.234 15.345 9.755 1.00 0.00 N ATOM 880 CA ASN A 54 -8.845 15.705 8.487 1.00 0.00 C ATOM 881 C ASN A 54 -10.343 15.400 8.543 1.00 0.00 C ATOM 882 O ASN A 54 -11.091 15.775 7.641 1.00 0.00 O ATOM 883 CB ASN A 54 -8.241 14.899 7.336 1.00 0.00 C ATOM 884 CG ASN A 54 -7.162 15.704 6.609 1.00 0.00 C ATOM 885 OD1 ASN A 54 -7.263 16.906 6.429 1.00 0.00 O ATOM 886 ND2 ASN A 54 -6.125 14.976 6.204 1.00 0.00 N ATOM 0 H ASN A 54 -7.582 14.562 9.707 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.667 16.767 8.316 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.812 13.974 7.721 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -9.025 14.618 6.633 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.351 15.421 5.710 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.103 13.973 6.387 1.00 0.00 H new ATOM 893 N LEU A 55 -10.737 14.722 9.611 1.00 0.00 N ATOM 894 CA LEU A 55 -12.132 14.362 9.796 1.00 0.00 C ATOM 895 C LEU A 55 -12.902 15.574 10.324 1.00 0.00 C ATOM 896 O LEU A 55 -13.927 15.956 9.761 1.00 0.00 O ATOM 897 CB LEU A 55 -12.252 13.123 10.686 1.00 0.00 C ATOM 898 CG LEU A 55 -13.114 11.984 10.137 1.00 0.00 C ATOM 899 CD1 LEU A 55 -13.081 10.772 11.071 1.00 0.00 C ATOM 900 CD2 LEU A 55 -14.543 12.459 9.866 1.00 0.00 C ATOM 0 H LEU A 55 -10.114 14.413 10.357 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.584 14.087 8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.250 12.736 10.873 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -12.661 13.430 11.649 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.693 11.667 9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.702 9.977 10.658 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.055 10.417 11.170 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.463 11.058 12.051 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.134 11.630 9.477 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.989 12.819 10.793 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.525 13.267 9.135 1.00 0.00 H new ATOM 912 N SER A 56 -12.378 16.146 11.398 1.00 0.00 N ATOM 913 CA SER A 56 -13.003 17.308 12.007 1.00 0.00 C ATOM 914 C SER A 56 -12.604 18.575 11.248 1.00 0.00 C ATOM 915 O SER A 56 -13.458 19.393 10.909 1.00 0.00 O ATOM 916 CB SER A 56 -12.617 17.430 13.483 1.00 0.00 C ATOM 917 OG SER A 56 -12.389 18.783 13.865 1.00 0.00 O ATOM 0 H SER A 56 -11.528 15.827 11.862 1.00 0.00 H new ATOM 0 HA SER A 56 -14.084 17.184 11.951 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.409 17.007 14.101 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.718 16.843 13.672 1.00 0.00 H new ATOM 0 HG SER A 56 -12.147 18.819 14.814 1.00 0.00 H new ATOM 923 N LEU A 57 -11.308 18.697 11.004 1.00 0.00 N ATOM 924 CA LEU A 57 -10.786 19.851 10.291 1.00 0.00 C ATOM 925 C LEU A 57 -11.059 19.686 8.794 1.00 0.00 C ATOM 926 O LEU A 57 -10.155 19.361 8.027 1.00 0.00 O ATOM 927 CB LEU A 57 -9.309 20.065 10.627 1.00 0.00 C ATOM 928 CG LEU A 57 -9.020 20.894 11.880 1.00 0.00 C ATOM 929 CD1 LEU A 57 -8.843 19.994 13.104 1.00 0.00 C ATOM 930 CD2 LEU A 57 -7.815 21.811 11.664 1.00 0.00 C ATOM 0 H LEU A 57 -10.603 18.016 11.287 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.296 20.760 10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.838 19.089 10.745 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.830 20.549 9.776 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.881 21.534 12.073 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.639 20.608 13.981 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.755 19.419 13.268 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.009 19.312 12.937 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.631 22.389 12.569 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.936 21.209 11.433 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.018 22.489 10.835 1.00 0.00 H new ATOM 942 N ASN A 58 -12.310 19.918 8.424 1.00 0.00 N ATOM 943 CA ASN A 58 -12.713 19.800 7.033 1.00 0.00 C ATOM 944 C ASN A 58 -14.240 19.858 6.943 1.00 0.00 C ATOM 945 O ASN A 58 -14.793 20.739 6.287 1.00 0.00 O ATOM 946 CB ASN A 58 -12.255 18.467 6.438 1.00 0.00 C ATOM 947 CG ASN A 58 -11.407 18.690 5.184 1.00 0.00 C ATOM 948 OD1 ASN A 58 -11.681 18.165 4.117 1.00 0.00 O ATOM 949 ND2 ASN A 58 -10.365 19.495 5.371 1.00 0.00 N ATOM 0 H ASN A 58 -13.058 20.187 9.063 1.00 0.00 H new ATOM 0 HA ASN A 58 -12.255 20.619 6.478 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -11.678 17.913 7.178 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.124 17.857 6.190 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.738 19.706 4.595 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.193 19.901 6.291 1.00 0.00 H new ATOM 956 N ASP A 59 -14.877 18.907 7.611 1.00 0.00 N ATOM 957 CA ASP A 59 -16.328 18.839 7.614 1.00 0.00 C ATOM 958 C ASP A 59 -16.879 19.837 8.635 1.00 0.00 C ATOM 959 O ASP A 59 -17.657 20.723 8.284 1.00 0.00 O ATOM 960 CB ASP A 59 -16.813 17.443 8.009 1.00 0.00 C ATOM 961 CG ASP A 59 -16.416 16.324 7.044 1.00 0.00 C ATOM 962 OD1 ASP A 59 -15.538 16.591 6.195 1.00 0.00 O ATOM 963 OD2 ASP A 59 -16.998 15.226 7.178 1.00 0.00 O ATOM 0 H ASP A 59 -14.415 18.178 8.154 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.678 19.072 6.608 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.422 17.205 8.998 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.900 17.462 8.092 1.00 0.00 H new ATOM 968 N CYS A 60 -16.455 19.659 9.877 1.00 0.00 N ATOM 969 CA CYS A 60 -16.896 20.533 10.951 1.00 0.00 C ATOM 970 C CYS A 60 -18.181 19.953 11.545 1.00 0.00 C ATOM 971 O CYS A 60 -19.274 20.444 11.268 1.00 0.00 O ATOM 972 CB CYS A 60 -17.090 21.971 10.467 1.00 0.00 C ATOM 973 SG CYS A 60 -16.461 23.144 11.722 1.00 0.00 S ATOM 0 H CYS A 60 -15.811 18.922 10.164 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.128 20.580 11.723 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -16.565 22.120 9.523 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -18.147 22.160 10.278 1.00 0.00 H new ATOM 0 HG CYS A 60 -16.629 24.362 11.300 1.00 0.00 H new ATOM 979 N PHE A 61 -18.007 18.915 12.351 1.00 0.00 N ATOM 980 CA PHE A 61 -19.139 18.263 12.986 1.00 0.00 C ATOM 981 C PHE A 61 -18.891 18.068 14.483 1.00 0.00 C ATOM 982 O PHE A 61 -17.997 18.692 15.054 1.00 0.00 O ATOM 983 CB PHE A 61 -19.295 16.892 12.325 1.00 0.00 C ATOM 984 CG PHE A 61 -17.968 16.190 12.029 1.00 0.00 C ATOM 985 CD1 PHE A 61 -16.906 16.365 12.860 1.00 0.00 C ATOM 986 CD2 PHE A 61 -17.851 15.390 10.935 1.00 0.00 C ATOM 987 CE1 PHE A 61 -15.675 15.713 12.586 1.00 0.00 C ATOM 988 CE2 PHE A 61 -16.619 14.738 10.661 1.00 0.00 C ATOM 989 CZ PHE A 61 -15.557 14.914 11.492 1.00 0.00 C ATOM 0 H PHE A 61 -17.099 18.510 12.578 1.00 0.00 H new ATOM 0 HA PHE A 61 -20.033 18.875 12.870 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -19.895 16.254 12.973 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -19.848 17.010 11.393 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -16.999 17.000 13.729 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -18.694 15.251 10.275 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -14.832 15.852 13.247 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -16.526 14.103 9.793 1.00 0.00 H new ATOM 0 HZ PHE A 61 -14.620 14.419 11.283 1.00 0.00 H new ATOM 999 N VAL A 62 -19.697 17.201 15.077 1.00 0.00 N ATOM 1000 CA VAL A 62 -19.576 16.916 16.496 1.00 0.00 C ATOM 1001 C VAL A 62 -19.217 15.441 16.688 1.00 0.00 C ATOM 1002 O VAL A 62 -19.660 14.587 15.922 1.00 0.00 O ATOM 1003 CB VAL A 62 -20.861 17.318 17.222 1.00 0.00 C ATOM 1004 CG1 VAL A 62 -21.126 18.818 17.079 1.00 0.00 C ATOM 1005 CG2 VAL A 62 -22.053 16.501 16.720 1.00 0.00 C ATOM 0 H VAL A 62 -20.437 16.686 14.601 1.00 0.00 H new ATOM 0 HA VAL A 62 -18.772 17.506 16.936 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.728 17.101 18.282 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.045 19.077 17.604 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -20.294 19.377 17.507 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -21.228 19.070 16.024 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -22.954 16.807 17.252 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -22.187 16.672 15.652 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -21.869 15.441 16.897 1.00 0.00 H new ATOM 1015 N LYS A 63 -18.418 15.187 17.714 1.00 0.00 N ATOM 1016 CA LYS A 63 -17.996 13.830 18.015 1.00 0.00 C ATOM 1017 C LYS A 63 -18.314 13.515 19.478 1.00 0.00 C ATOM 1018 O LYS A 63 -18.789 14.378 20.214 1.00 0.00 O ATOM 1019 CB LYS A 63 -16.523 13.635 17.650 1.00 0.00 C ATOM 1020 CG LYS A 63 -16.150 14.458 16.416 1.00 0.00 C ATOM 1021 CD LYS A 63 -15.010 15.429 16.729 1.00 0.00 C ATOM 1022 CE LYS A 63 -15.548 16.834 17.009 1.00 0.00 C ATOM 1023 NZ LYS A 63 -14.432 17.786 17.209 1.00 0.00 N ATOM 0 H LYS A 63 -18.052 15.898 18.347 1.00 0.00 H new ATOM 0 HA LYS A 63 -18.549 13.114 17.407 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -15.894 13.929 18.491 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.328 12.579 17.460 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.853 13.792 15.606 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.021 15.014 16.068 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.450 15.071 17.593 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.315 15.462 15.890 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.171 17.164 16.177 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.183 16.817 17.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.814 18.735 17.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.854 17.479 18.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.842 17.815 16.353 1.00 0.00 H new ATOM 1037 N ILE A 64 -18.038 12.275 19.856 1.00 0.00 N ATOM 1038 CA ILE A 64 -18.289 11.835 21.218 1.00 0.00 C ATOM 1039 C ILE A 64 -16.967 11.424 21.869 1.00 0.00 C ATOM 1040 O ILE A 64 -16.426 10.362 21.567 1.00 0.00 O ATOM 1041 CB ILE A 64 -19.352 10.735 21.238 1.00 0.00 C ATOM 1042 CG1 ILE A 64 -20.755 11.324 21.076 1.00 0.00 C ATOM 1043 CG2 ILE A 64 -19.232 9.880 22.501 1.00 0.00 C ATOM 1044 CD1 ILE A 64 -21.035 12.377 22.150 1.00 0.00 C ATOM 0 H ILE A 64 -17.643 11.562 19.243 1.00 0.00 H new ATOM 0 HA ILE A 64 -18.697 12.652 21.813 1.00 0.00 H new ATOM 0 HB ILE A 64 -19.179 10.078 20.386 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -20.853 11.773 20.087 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -21.497 10.528 21.140 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -19.999 9.106 22.490 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -18.247 9.415 22.533 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -19.364 10.510 23.381 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -22.038 12.780 22.012 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -20.960 11.919 23.136 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -20.306 13.183 22.068 1.00 0.00 H new ATOM 1056 N PRO A 65 -16.471 12.312 22.772 1.00 0.00 N ATOM 1057 CA PRO A 65 -15.222 12.052 23.468 1.00 0.00 C ATOM 1058 C PRO A 65 -15.411 10.995 24.558 1.00 0.00 C ATOM 1059 O PRO A 65 -16.528 10.764 25.017 1.00 0.00 O ATOM 1060 CB PRO A 65 -14.791 13.402 24.018 1.00 0.00 C ATOM 1061 CG PRO A 65 -16.037 14.272 24.011 1.00 0.00 C ATOM 1062 CD PRO A 65 -17.084 13.580 23.154 1.00 0.00 C ATOM 0 HA PRO A 65 -14.454 11.639 22.814 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.390 13.303 25.027 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.005 13.841 23.404 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -16.408 14.415 25.026 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.810 15.261 23.612 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -18.008 13.422 23.709 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -17.337 14.177 22.278 1.00 0.00 H new ATOM 1070 N ARG A 66 -14.301 10.381 24.940 1.00 0.00 N ATOM 1071 CA ARG A 66 -14.330 9.353 25.967 1.00 0.00 C ATOM 1072 C ARG A 66 -15.545 9.546 26.877 1.00 0.00 C ATOM 1073 O ARG A 66 -15.512 10.362 27.797 1.00 0.00 O ATOM 1074 CB ARG A 66 -13.056 9.385 26.814 1.00 0.00 C ATOM 1075 CG ARG A 66 -12.435 10.783 26.817 1.00 0.00 C ATOM 1076 CD ARG A 66 -12.777 11.534 28.105 1.00 0.00 C ATOM 1077 NE ARG A 66 -12.947 12.976 27.821 1.00 0.00 N ATOM 1078 CZ ARG A 66 -14.092 13.529 27.399 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -15.175 12.764 27.209 1.00 0.00 N ATOM 1080 NH2 ARG A 66 -14.153 14.848 27.166 1.00 0.00 N ATOM 0 H ARG A 66 -13.376 10.575 24.557 1.00 0.00 H new ATOM 0 HA ARG A 66 -14.396 8.386 25.467 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.287 9.083 27.836 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.337 8.665 26.424 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.353 10.704 26.715 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.796 11.347 25.957 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.692 11.130 28.539 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.985 11.391 28.840 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.142 13.588 27.955 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.128 11.761 27.386 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.047 13.185 26.888 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.328 15.430 27.310 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.025 15.269 26.845 1.00 0.00 H new ATOM 1094 N GLU A 67 -16.588 8.782 26.588 1.00 0.00 N ATOM 1095 CA GLU A 67 -17.811 8.859 27.369 1.00 0.00 C ATOM 1096 C GLU A 67 -18.123 7.501 28.002 1.00 0.00 C ATOM 1097 O GLU A 67 -17.481 6.501 27.683 1.00 0.00 O ATOM 1098 CB GLU A 67 -18.980 9.345 26.510 1.00 0.00 C ATOM 1099 CG GLU A 67 -19.479 10.711 26.987 1.00 0.00 C ATOM 1100 CD GLU A 67 -20.924 10.951 26.544 1.00 0.00 C ATOM 1101 OE1 GLU A 67 -21.826 10.502 27.284 1.00 0.00 O ATOM 1102 OE2 GLU A 67 -21.094 11.577 25.476 1.00 0.00 O ATOM 0 H GLU A 67 -16.612 8.107 25.824 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.664 9.585 28.168 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.667 9.411 25.468 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.794 8.621 26.553 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.414 10.767 28.074 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.837 11.496 26.588 1.00 0.00 H new ATOM 1109 N PRO A 68 -19.134 7.510 28.911 1.00 0.00 N ATOM 1110 CA PRO A 68 -19.539 6.291 29.592 1.00 0.00 C ATOM 1111 C PRO A 68 -20.340 5.382 28.658 1.00 0.00 C ATOM 1112 O PRO A 68 -21.566 5.327 28.741 1.00 0.00 O ATOM 1113 CB PRO A 68 -20.339 6.761 30.796 1.00 0.00 C ATOM 1114 CG PRO A 68 -20.747 8.193 30.492 1.00 0.00 C ATOM 1115 CD PRO A 68 -19.915 8.675 29.315 1.00 0.00 C ATOM 0 HA PRO A 68 -18.691 5.683 29.907 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -21.214 6.131 30.954 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -19.741 6.710 31.706 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -21.810 8.245 30.255 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -20.583 8.829 31.362 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.548 9.029 28.501 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -19.269 9.505 29.600 1.00 0.00 H new ATOM 1123 N GLY A 69 -19.615 4.692 27.790 1.00 0.00 N ATOM 1124 CA GLY A 69 -20.243 3.788 26.842 1.00 0.00 C ATOM 1125 C GLY A 69 -19.323 3.520 25.649 1.00 0.00 C ATOM 1126 O GLY A 69 -19.780 3.464 24.508 1.00 0.00 O ATOM 0 H GLY A 69 -18.598 4.741 27.723 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -20.486 2.848 27.337 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -21.182 4.217 26.493 1.00 0.00 H new ATOM 1130 N ASN A 70 -18.043 3.361 25.953 1.00 0.00 N ATOM 1131 CA ASN A 70 -17.055 3.100 24.920 1.00 0.00 C ATOM 1132 C ASN A 70 -16.118 1.985 25.387 1.00 0.00 C ATOM 1133 O ASN A 70 -14.988 2.249 25.793 1.00 0.00 O ATOM 1134 CB ASN A 70 -16.209 4.343 24.641 1.00 0.00 C ATOM 1135 CG ASN A 70 -17.095 5.557 24.354 1.00 0.00 C ATOM 1136 OD1 ASN A 70 -18.311 5.503 24.434 1.00 0.00 O ATOM 1137 ND2 ASN A 70 -16.420 6.652 24.016 1.00 0.00 N ATOM 0 H ASN A 70 -17.667 3.408 26.900 1.00 0.00 H new ATOM 0 HA ASN A 70 -17.584 2.813 24.011 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -15.568 4.551 25.498 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -15.554 4.158 23.790 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.921 7.515 23.805 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.401 6.629 23.968 1.00 0.00 H new ATOM 1144 N PRO A 71 -16.635 0.729 25.311 1.00 0.00 N ATOM 1145 CA PRO A 71 -15.857 -0.427 25.720 1.00 0.00 C ATOM 1146 C PRO A 71 -14.789 -0.767 24.679 1.00 0.00 C ATOM 1147 O PRO A 71 -15.006 -1.619 23.818 1.00 0.00 O ATOM 1148 CB PRO A 71 -16.876 -1.539 25.911 1.00 0.00 C ATOM 1149 CG PRO A 71 -18.120 -1.099 25.158 1.00 0.00 C ATOM 1150 CD PRO A 71 -17.970 0.379 24.834 1.00 0.00 C ATOM 0 HA PRO A 71 -15.299 -0.254 26.640 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.499 -2.485 25.523 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -17.093 -1.692 26.968 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -18.238 -1.680 24.244 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -19.012 -1.269 25.761 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -18.069 0.562 23.764 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -18.737 0.973 25.331 1.00 0.00 H new ATOM 1158 N GLY A 72 -13.660 -0.083 24.791 1.00 0.00 N ATOM 1159 CA GLY A 72 -12.558 -0.302 23.869 1.00 0.00 C ATOM 1160 C GLY A 72 -12.591 0.713 22.725 1.00 0.00 C ATOM 1161 O GLY A 72 -11.778 1.635 22.685 1.00 0.00 O ATOM 0 H GLY A 72 -13.484 0.623 25.506 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.611 -0.223 24.403 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.613 -1.313 23.465 1.00 0.00 H new ATOM 1165 N LYS A 73 -13.539 0.509 21.822 1.00 0.00 N ATOM 1166 CA LYS A 73 -13.689 1.394 20.680 1.00 0.00 C ATOM 1167 C LYS A 73 -15.175 1.554 20.355 1.00 0.00 C ATOM 1168 O LYS A 73 -15.617 1.199 19.263 1.00 0.00 O ATOM 1169 CB LYS A 73 -12.851 0.895 19.501 1.00 0.00 C ATOM 1170 CG LYS A 73 -13.301 -0.500 19.061 1.00 0.00 C ATOM 1171 CD LYS A 73 -12.436 -1.584 19.707 1.00 0.00 C ATOM 1172 CE LYS A 73 -13.200 -2.906 19.809 1.00 0.00 C ATOM 1173 NZ LYS A 73 -12.390 -4.016 19.258 1.00 0.00 N ATOM 0 H LYS A 73 -14.211 -0.257 21.859 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.306 2.387 20.915 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.941 1.590 18.666 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.798 0.870 19.783 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.345 -0.652 19.334 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.240 -0.580 17.976 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.529 -1.728 19.120 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.125 -1.262 20.701 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.447 -3.111 20.851 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.142 -2.831 19.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.923 -4.906 19.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.175 -3.826 18.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.502 -4.097 19.793 1.00 0.00 H new ATOM 1187 N GLY A 74 -15.906 2.087 21.323 1.00 0.00 N ATOM 1188 CA GLY A 74 -17.334 2.297 21.153 1.00 0.00 C ATOM 1189 C GLY A 74 -17.700 3.768 21.361 1.00 0.00 C ATOM 1190 O GLY A 74 -18.238 4.136 22.404 1.00 0.00 O ATOM 0 H GLY A 74 -15.536 2.380 22.228 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -17.635 1.981 20.154 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -17.883 1.678 21.862 1.00 0.00 H new ATOM 1194 N ASN A 75 -17.394 4.570 20.351 1.00 0.00 N ATOM 1195 CA ASN A 75 -17.684 5.992 20.410 1.00 0.00 C ATOM 1196 C ASN A 75 -18.814 6.319 19.432 1.00 0.00 C ATOM 1197 O ASN A 75 -19.454 5.417 18.893 1.00 0.00 O ATOM 1198 CB ASN A 75 -16.460 6.821 20.014 1.00 0.00 C ATOM 1199 CG ASN A 75 -15.883 6.342 18.680 1.00 0.00 C ATOM 1200 OD1 ASN A 75 -15.590 5.174 18.485 1.00 0.00 O ATOM 1201 ND2 ASN A 75 -15.736 7.307 17.777 1.00 0.00 N ATOM 0 H ASN A 75 -16.948 4.261 19.487 1.00 0.00 H new ATOM 0 HA ASN A 75 -17.968 6.236 21.434 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -16.737 7.872 19.938 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -15.699 6.747 20.791 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.358 7.089 16.855 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -16.002 8.265 18.006 1.00 0.00 H new ATOM 1208 N TYR A 76 -19.025 7.612 19.232 1.00 0.00 N ATOM 1209 CA TYR A 76 -20.067 8.069 18.328 1.00 0.00 C ATOM 1210 C TYR A 76 -19.675 9.390 17.664 1.00 0.00 C ATOM 1211 O TYR A 76 -19.069 10.252 18.298 1.00 0.00 O ATOM 1212 CB TYR A 76 -21.307 8.295 19.194 1.00 0.00 C ATOM 1213 CG TYR A 76 -21.803 7.038 19.912 1.00 0.00 C ATOM 1214 CD1 TYR A 76 -22.232 5.950 19.180 1.00 0.00 C ATOM 1215 CD2 TYR A 76 -21.821 6.993 21.291 1.00 0.00 C ATOM 1216 CE1 TYR A 76 -22.699 4.767 19.855 1.00 0.00 C ATOM 1217 CE2 TYR A 76 -22.287 5.810 21.966 1.00 0.00 C ATOM 1218 CZ TYR A 76 -22.703 4.755 21.215 1.00 0.00 C ATOM 1219 OH TYR A 76 -23.144 3.638 21.853 1.00 0.00 O ATOM 0 H TYR A 76 -18.492 8.357 19.680 1.00 0.00 H new ATOM 0 HA TYR A 76 -20.237 7.338 17.537 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -21.084 9.061 19.937 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -22.110 8.683 18.567 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -22.218 5.986 18.101 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -21.486 7.845 21.864 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -23.038 3.909 19.294 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -22.306 5.761 23.045 1.00 0.00 H new ATOM 0 HH TYR A 76 -23.089 3.772 22.822 1.00 0.00 H new ATOM 1229 N TRP A 77 -20.037 9.508 16.395 1.00 0.00 N ATOM 1230 CA TRP A 77 -19.731 10.710 15.638 1.00 0.00 C ATOM 1231 C TRP A 77 -20.987 11.112 14.862 1.00 0.00 C ATOM 1232 O TRP A 77 -21.644 10.267 14.256 1.00 0.00 O ATOM 1233 CB TRP A 77 -18.514 10.494 14.735 1.00 0.00 C ATOM 1234 CG TRP A 77 -17.172 10.653 15.452 1.00 0.00 C ATOM 1235 CD1 TRP A 77 -16.786 10.105 16.612 1.00 0.00 C ATOM 1236 CD2 TRP A 77 -16.047 11.439 15.006 1.00 0.00 C ATOM 1237 NE1 TRP A 77 -15.500 10.478 16.945 1.00 0.00 N ATOM 1238 CE2 TRP A 77 -15.036 11.315 15.937 1.00 0.00 C ATOM 1239 CE3 TRP A 77 -15.888 12.228 13.853 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 -13.796 11.952 15.812 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 -14.643 12.859 13.743 1.00 0.00 C ATOM 1242 CH2 TRP A 77 -13.615 12.744 14.671 1.00 0.00 C ATOM 0 H TRP A 77 -20.539 8.791 15.872 1.00 0.00 H new ATOM 0 HA TRP A 77 -19.457 11.527 16.305 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -18.568 9.495 14.303 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -18.558 11.202 13.907 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -17.404 9.453 17.211 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -14.985 10.192 17.778 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -16.665 12.339 13.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -13.021 11.839 16.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -14.469 13.479 12.876 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -12.681 13.263 14.513 1.00 0.00 H new ATOM 1253 N THR A 78 -21.282 12.403 14.905 1.00 0.00 N ATOM 1254 CA THR A 78 -22.448 12.928 14.214 1.00 0.00 C ATOM 1255 C THR A 78 -22.052 14.102 13.317 1.00 0.00 C ATOM 1256 O THR A 78 -21.283 14.970 13.728 1.00 0.00 O ATOM 1257 CB THR A 78 -23.496 13.294 15.266 1.00 0.00 C ATOM 1258 OG1 THR A 78 -23.884 12.040 15.821 1.00 0.00 O ATOM 1259 CG2 THR A 78 -24.783 13.840 14.645 1.00 0.00 C ATOM 0 H THR A 78 -20.734 13.101 15.408 1.00 0.00 H new ATOM 0 HA THR A 78 -22.882 12.182 13.548 1.00 0.00 H new ATOM 0 HB THR A 78 -23.080 14.034 15.950 1.00 0.00 H new ATOM 0 HG1 THR A 78 -24.561 12.185 16.514 1.00 0.00 H new ATOM 0 HG21 THR A 78 -25.493 14.084 15.435 1.00 0.00 H new ATOM 0 HG22 THR A 78 -24.557 14.738 14.070 1.00 0.00 H new ATOM 0 HG23 THR A 78 -25.217 13.087 13.987 1.00 0.00 H new ATOM 1267 N LEU A 79 -22.594 14.091 12.108 1.00 0.00 N ATOM 1268 CA LEU A 79 -22.307 15.144 11.149 1.00 0.00 C ATOM 1269 C LEU A 79 -23.604 15.874 10.797 1.00 0.00 C ATOM 1270 O LEU A 79 -24.693 15.408 11.128 1.00 0.00 O ATOM 1271 CB LEU A 79 -21.572 14.576 9.933 1.00 0.00 C ATOM 1272 CG LEU A 79 -21.133 15.593 8.879 1.00 0.00 C ATOM 1273 CD1 LEU A 79 -19.786 15.203 8.267 1.00 0.00 C ATOM 1274 CD2 LEU A 79 -22.214 15.780 7.813 1.00 0.00 C ATOM 0 H LEU A 79 -23.231 13.369 11.771 1.00 0.00 H new ATOM 0 HA LEU A 79 -21.633 15.882 11.584 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -20.689 14.042 10.284 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -22.219 13.841 9.453 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.996 16.556 9.371 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -19.498 15.943 7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -19.029 15.163 9.050 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.871 14.225 7.794 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -21.876 16.508 7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -22.407 14.827 7.320 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -23.130 16.138 8.283 1.00 0.00 H new ATOM 1286 N ASP A 80 -23.445 17.008 10.130 1.00 0.00 N ATOM 1287 CA ASP A 80 -24.590 17.808 9.729 1.00 0.00 C ATOM 1288 C ASP A 80 -25.232 17.185 8.488 1.00 0.00 C ATOM 1289 O ASP A 80 -24.535 16.661 7.621 1.00 0.00 O ATOM 1290 CB ASP A 80 -24.168 19.236 9.377 1.00 0.00 C ATOM 1291 CG ASP A 80 -24.232 20.233 10.536 1.00 0.00 C ATOM 1292 OD1 ASP A 80 -25.356 20.697 10.824 1.00 0.00 O ATOM 1293 OD2 ASP A 80 -23.154 20.508 11.107 1.00 0.00 O ATOM 0 H ASP A 80 -22.540 17.392 9.857 1.00 0.00 H new ATOM 0 HA ASP A 80 -25.292 17.835 10.563 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -23.148 19.213 8.993 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -24.805 19.599 8.570 1.00 0.00 H new ATOM 1298 N PRO A 81 -26.589 17.265 8.442 1.00 0.00 N ATOM 1299 CA PRO A 81 -27.333 16.716 7.321 1.00 0.00 C ATOM 1300 C PRO A 81 -27.204 17.609 6.086 1.00 0.00 C ATOM 1301 O PRO A 81 -28.092 18.411 5.799 1.00 0.00 O ATOM 1302 CB PRO A 81 -28.764 16.596 7.820 1.00 0.00 C ATOM 1303 CG PRO A 81 -28.861 17.509 9.031 1.00 0.00 C ATOM 1304 CD PRO A 81 -27.447 17.879 9.451 1.00 0.00 C ATOM 0 HA PRO A 81 -26.954 15.746 7.000 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.473 16.895 7.048 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -28.999 15.566 8.088 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -29.434 18.404 8.789 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -29.382 17.007 9.846 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -27.313 18.960 9.480 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -27.218 17.502 10.448 1.00 0.00 H new ATOM 1312 N GLN A 82 -26.090 17.441 5.388 1.00 0.00 N ATOM 1313 CA GLN A 82 -25.833 18.223 4.190 1.00 0.00 C ATOM 1314 C GLN A 82 -24.382 18.041 3.739 1.00 0.00 C ATOM 1315 O GLN A 82 -23.704 19.013 3.411 1.00 0.00 O ATOM 1316 CB GLN A 82 -26.154 19.701 4.420 1.00 0.00 C ATOM 1317 CG GLN A 82 -27.376 20.129 3.606 1.00 0.00 C ATOM 1318 CD GLN A 82 -27.375 21.641 3.369 1.00 0.00 C ATOM 1319 OE1 GLN A 82 -26.426 22.343 3.677 1.00 0.00 O ATOM 1320 NE2 GLN A 82 -28.489 22.101 2.806 1.00 0.00 N ATOM 0 H GLN A 82 -25.356 16.775 5.629 1.00 0.00 H new ATOM 0 HA GLN A 82 -26.488 17.862 3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -26.339 19.876 5.480 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -25.295 20.311 4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -27.381 19.607 2.649 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -28.287 19.840 4.131 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -29.246 21.458 2.573 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -28.586 23.097 2.607 1.00 0.00 H new ATOM 1329 N SER A 83 -23.949 16.788 3.737 1.00 0.00 N ATOM 1330 CA SER A 83 -22.592 16.467 3.332 1.00 0.00 C ATOM 1331 C SER A 83 -22.494 16.440 1.805 1.00 0.00 C ATOM 1332 O SER A 83 -21.585 17.035 1.227 1.00 0.00 O ATOM 1333 CB SER A 83 -22.146 15.124 3.916 1.00 0.00 C ATOM 1334 OG SER A 83 -20.807 14.801 3.549 1.00 0.00 O ATOM 0 H SER A 83 -24.515 15.984 4.009 1.00 0.00 H new ATOM 0 HA SER A 83 -21.928 17.240 3.719 1.00 0.00 H new ATOM 0 HB2 SER A 83 -22.226 15.156 5.003 1.00 0.00 H new ATOM 0 HB3 SER A 83 -22.817 14.337 3.570 1.00 0.00 H new ATOM 0 HG SER A 83 -20.204 15.016 4.291 1.00 0.00 H new ATOM 1340 N GLU A 84 -23.442 15.744 1.195 1.00 0.00 N ATOM 1341 CA GLU A 84 -23.474 15.632 -0.253 1.00 0.00 C ATOM 1342 C GLU A 84 -23.591 17.018 -0.890 1.00 0.00 C ATOM 1343 O GLU A 84 -23.074 17.249 -1.982 1.00 0.00 O ATOM 1344 CB GLU A 84 -24.616 14.721 -0.708 1.00 0.00 C ATOM 1345 CG GLU A 84 -24.544 14.461 -2.214 1.00 0.00 C ATOM 1346 CD GLU A 84 -25.770 15.034 -2.928 1.00 0.00 C ATOM 1347 OE1 GLU A 84 -26.812 14.345 -2.908 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -25.636 16.149 -3.478 1.00 0.00 O ATOM 0 H GLU A 84 -24.194 15.252 1.677 1.00 0.00 H new ATOM 0 HA GLU A 84 -22.539 15.179 -0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -24.567 13.775 -0.169 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -25.573 15.180 -0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -23.638 14.910 -2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -24.479 13.389 -2.399 1.00 0.00 H new ATOM 1355 N ASP A 85 -24.275 17.904 -0.181 1.00 0.00 N ATOM 1356 CA ASP A 85 -24.466 19.261 -0.664 1.00 0.00 C ATOM 1357 C ASP A 85 -23.105 19.944 -0.807 1.00 0.00 C ATOM 1358 O ASP A 85 -22.852 20.632 -1.795 1.00 0.00 O ATOM 1359 CB ASP A 85 -25.306 20.081 0.318 1.00 0.00 C ATOM 1360 CG ASP A 85 -26.781 20.231 -0.060 1.00 0.00 C ATOM 1361 OD1 ASP A 85 -27.140 19.735 -1.150 1.00 0.00 O ATOM 1362 OD2 ASP A 85 -27.515 20.837 0.749 1.00 0.00 O ATOM 0 H ASP A 85 -24.704 17.709 0.724 1.00 0.00 H new ATOM 0 HA ASP A 85 -24.981 19.208 -1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -25.244 19.616 1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -24.867 21.075 0.407 1.00 0.00 H new ATOM 1367 N MET A 86 -22.263 19.730 0.194 1.00 0.00 N ATOM 1368 CA MET A 86 -20.934 20.317 0.192 1.00 0.00 C ATOM 1369 C MET A 86 -20.173 19.947 -1.084 1.00 0.00 C ATOM 1370 O MET A 86 -19.640 20.819 -1.767 1.00 0.00 O ATOM 1371 CB MET A 86 -20.155 19.822 1.412 1.00 0.00 C ATOM 1372 CG MET A 86 -20.378 20.741 2.614 1.00 0.00 C ATOM 1373 SD MET A 86 -20.896 19.783 4.028 1.00 0.00 S ATOM 1374 CE MET A 86 -19.412 18.834 4.320 1.00 0.00 C ATOM 0 H MET A 86 -22.476 19.158 1.012 1.00 0.00 H new ATOM 0 HA MET A 86 -21.036 21.401 0.231 1.00 0.00 H new ATOM 0 HB2 MET A 86 -20.469 18.808 1.662 1.00 0.00 H new ATOM 0 HB3 MET A 86 -19.092 19.778 1.176 1.00 0.00 H new ATOM 0 HG2 MET A 86 -19.459 21.279 2.846 1.00 0.00 H new ATOM 0 HG3 MET A 86 -21.134 21.489 2.375 1.00 0.00 H new ATOM 0 HE1 MET A 86 -19.481 18.340 5.289 1.00 0.00 H new ATOM 0 HE2 MET A 86 -19.300 18.084 3.537 1.00 0.00 H new ATOM 0 HE3 MET A 86 -18.548 19.498 4.312 1.00 0.00 H new ATOM 1384 N PHE A 87 -20.149 18.653 -1.366 1.00 0.00 N ATOM 1385 CA PHE A 87 -19.463 18.157 -2.547 1.00 0.00 C ATOM 1386 C PHE A 87 -20.149 18.645 -3.824 1.00 0.00 C ATOM 1387 O PHE A 87 -19.497 19.192 -4.713 1.00 0.00 O ATOM 1388 CB PHE A 87 -19.532 16.629 -2.496 1.00 0.00 C ATOM 1389 CG PHE A 87 -18.206 15.958 -2.133 1.00 0.00 C ATOM 1390 CD1 PHE A 87 -17.356 16.560 -1.259 1.00 0.00 C ATOM 1391 CD2 PHE A 87 -17.878 14.759 -2.685 1.00 0.00 C ATOM 1392 CE1 PHE A 87 -16.125 15.936 -0.922 1.00 0.00 C ATOM 1393 CE2 PHE A 87 -16.647 14.136 -2.349 1.00 0.00 C ATOM 1394 CZ PHE A 87 -15.797 14.738 -1.474 1.00 0.00 C ATOM 0 H PHE A 87 -20.594 17.933 -0.797 1.00 0.00 H new ATOM 0 HA PHE A 87 -18.434 18.517 -2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -20.288 16.334 -1.768 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -19.862 16.258 -3.466 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -17.617 17.512 -0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -18.554 14.281 -3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -15.450 16.413 -0.227 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.386 13.184 -2.788 1.00 0.00 H new ATOM 0 HZ PHE A 87 -14.861 14.264 -1.218 1.00 0.00 H new