USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 644 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 NoAdj-H: A 65 HIS HE2 : A 65 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0829 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.994 K(o=-0.99,f=-5.3!) USER MOD Single : A 32 SER OG : rot -25:sc= 0.588 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= -4.99! C(o=-5.8!,f=-5!) USER MOD Single : A 48 GLN : amide:sc= -0.271 K(o=-0.27,f=-2.2!) USER MOD Single : A 50 HIS : no HD1:sc=-0.00222 X(o=-0.0022,f=0) USER MOD Single : A 51 GLN :FLIP amide:sc= -1.22 F(o=-2.1!,f=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ -109:sc= -0.595 (180deg=-2.05!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 64 GLN : amide:sc= -0.417 K(o=-0.42,f=-1.5) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0138 K(o=-0.014,f=-0.82) USER MOD Single : A 75 ASN : amide:sc= -0.357 X(o=-0.36,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -177:sc= -0.713 (180deg=-0.805) USER MOD Single : A 80 ASN :FLIP amide:sc= -6.74! C(o=-7.7!,f=-6.7!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.230 -29.016 28.398 1.00 0.00 N ATOM 2 CA GLY A 1 5.447 -28.331 27.386 1.00 0.00 C ATOM 3 C GLY A 1 6.085 -28.402 26.013 1.00 0.00 C ATOM 4 O GLY A 1 6.644 -27.417 25.529 1.00 0.00 O ATOM 0 H1 GLY A 1 5.752 -28.939 29.318 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.327 -30.019 28.142 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.173 -28.582 28.460 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.450 -28.770 27.343 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.323 -27.287 27.672 1.00 0.00 H new ATOM 8 N SER A 2 6.004 -29.570 25.384 1.00 0.00 N ATOM 9 CA SER A 2 6.583 -29.768 24.061 1.00 0.00 C ATOM 10 C SER A 2 6.141 -28.665 23.104 1.00 0.00 C ATOM 11 O SER A 2 6.952 -28.108 22.364 1.00 0.00 O ATOM 12 CB SER A 2 6.180 -31.134 23.503 1.00 0.00 C ATOM 13 OG SER A 2 4.785 -31.194 23.261 1.00 0.00 O ATOM 0 H SER A 2 5.543 -30.394 25.770 1.00 0.00 H new ATOM 0 HA SER A 2 7.668 -29.729 24.157 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.722 -31.326 22.577 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.464 -31.916 24.207 1.00 0.00 H new ATOM 0 HG SER A 2 4.553 -32.076 22.903 1.00 0.00 H new ATOM 19 N SER A 3 4.849 -28.354 23.126 1.00 0.00 N ATOM 20 CA SER A 3 4.297 -27.320 22.258 1.00 0.00 C ATOM 21 C SER A 3 2.907 -26.901 22.729 1.00 0.00 C ATOM 22 O SER A 3 2.352 -27.485 23.659 1.00 0.00 O ATOM 23 CB SER A 3 4.230 -27.819 20.813 1.00 0.00 C ATOM 24 OG SER A 3 4.334 -26.744 19.897 1.00 0.00 O ATOM 0 H SER A 3 4.165 -28.803 23.735 1.00 0.00 H new ATOM 0 HA SER A 3 4.955 -26.452 22.304 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.034 -28.533 20.634 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.291 -28.349 20.651 1.00 0.00 H new ATOM 0 HG SER A 3 4.290 -27.089 18.981 1.00 0.00 H new ATOM 30 N GLY A 4 2.350 -25.884 22.078 1.00 0.00 N ATOM 31 CA GLY A 4 1.031 -25.404 22.443 1.00 0.00 C ATOM 32 C GLY A 4 0.640 -24.151 21.684 1.00 0.00 C ATOM 33 O GLY A 4 1.435 -23.608 20.917 1.00 0.00 O ATOM 0 H GLY A 4 2.789 -25.385 21.305 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.297 -26.186 22.250 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.005 -25.200 23.513 1.00 0.00 H new ATOM 37 N SER A 5 -0.590 -23.692 21.896 1.00 0.00 N ATOM 38 CA SER A 5 -1.087 -22.498 21.222 1.00 0.00 C ATOM 39 C SER A 5 -1.216 -21.335 22.201 1.00 0.00 C ATOM 40 O SER A 5 -1.222 -21.530 23.417 1.00 0.00 O ATOM 41 CB SER A 5 -2.440 -22.782 20.569 1.00 0.00 C ATOM 42 OG SER A 5 -2.360 -23.891 19.690 1.00 0.00 O ATOM 0 H SER A 5 -1.260 -24.129 22.529 1.00 0.00 H new ATOM 0 HA SER A 5 -0.369 -22.222 20.450 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.185 -22.978 21.340 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.774 -21.902 20.019 1.00 0.00 H new ATOM 0 HG SER A 5 -3.238 -24.053 19.287 1.00 0.00 H new ATOM 48 N SER A 6 -1.319 -20.125 21.662 1.00 0.00 N ATOM 49 CA SER A 6 -1.444 -18.929 22.487 1.00 0.00 C ATOM 50 C SER A 6 -2.726 -18.171 22.154 1.00 0.00 C ATOM 51 O SER A 6 -3.198 -18.197 21.019 1.00 0.00 O ATOM 52 CB SER A 6 -0.232 -18.017 22.288 1.00 0.00 C ATOM 53 OG SER A 6 -0.291 -17.358 21.035 1.00 0.00 O ATOM 0 H SER A 6 -1.318 -19.947 20.658 1.00 0.00 H new ATOM 0 HA SER A 6 -1.487 -19.240 23.531 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.193 -17.279 23.089 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.684 -18.605 22.351 1.00 0.00 H new ATOM 0 HG SER A 6 0.494 -16.780 20.932 1.00 0.00 H new ATOM 59 N GLY A 7 -3.284 -17.496 23.155 1.00 0.00 N ATOM 60 CA GLY A 7 -4.506 -16.740 22.949 1.00 0.00 C ATOM 61 C GLY A 7 -4.238 -15.314 22.509 1.00 0.00 C ATOM 62 O GLY A 7 -3.249 -14.707 22.917 1.00 0.00 O ATOM 0 H GLY A 7 -2.912 -17.459 24.104 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.117 -17.240 22.197 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.083 -16.729 23.873 1.00 0.00 H new ATOM 66 N ALA A 8 -5.121 -14.780 21.671 1.00 0.00 N ATOM 67 CA ALA A 8 -4.976 -13.417 21.175 1.00 0.00 C ATOM 68 C ALA A 8 -6.296 -12.889 20.626 1.00 0.00 C ATOM 69 O ALA A 8 -7.285 -13.620 20.549 1.00 0.00 O ATOM 70 CB ALA A 8 -3.895 -13.357 20.106 1.00 0.00 C ATOM 0 H ALA A 8 -5.944 -15.271 21.322 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.681 -12.782 22.010 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.797 -12.333 19.744 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.946 -13.684 20.530 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.167 -14.010 19.277 1.00 0.00 H new ATOM 76 N LEU A 9 -6.307 -11.616 20.245 1.00 0.00 N ATOM 77 CA LEU A 9 -7.507 -10.990 19.703 1.00 0.00 C ATOM 78 C LEU A 9 -7.682 -11.334 18.227 1.00 0.00 C ATOM 79 O LEU A 9 -6.720 -11.330 17.459 1.00 0.00 O ATOM 80 CB LEU A 9 -7.438 -9.472 19.879 1.00 0.00 C ATOM 81 CG LEU A 9 -8.668 -8.686 19.422 1.00 0.00 C ATOM 82 CD1 LEU A 9 -8.813 -7.405 20.228 1.00 0.00 C ATOM 83 CD2 LEU A 9 -8.581 -8.376 17.935 1.00 0.00 C ATOM 0 H LEU A 9 -5.498 -10.998 20.302 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.367 -11.375 20.251 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.265 -9.256 20.933 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.571 -9.102 19.331 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.552 -9.300 19.593 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.693 -6.859 19.889 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.923 -7.650 21.284 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.927 -6.786 20.090 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.465 -7.816 17.628 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.689 -7.782 17.739 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.527 -9.308 17.372 1.00 0.00 H new ATOM 95 N PHE A 10 -8.917 -11.630 17.836 1.00 0.00 N ATOM 96 CA PHE A 10 -9.219 -11.976 16.452 1.00 0.00 C ATOM 97 C PHE A 10 -8.320 -11.205 15.491 1.00 0.00 C ATOM 98 O PHE A 10 -7.901 -10.083 15.779 1.00 0.00 O ATOM 99 CB PHE A 10 -10.688 -11.684 16.140 1.00 0.00 C ATOM 100 CG PHE A 10 -11.329 -10.731 17.107 1.00 0.00 C ATOM 101 CD1 PHE A 10 -11.900 -11.194 18.282 1.00 0.00 C ATOM 102 CD2 PHE A 10 -11.359 -9.371 16.843 1.00 0.00 C ATOM 103 CE1 PHE A 10 -12.491 -10.318 19.173 1.00 0.00 C ATOM 104 CE2 PHE A 10 -11.947 -8.490 17.731 1.00 0.00 C ATOM 105 CZ PHE A 10 -12.513 -8.965 18.898 1.00 0.00 C ATOM 0 H PHE A 10 -9.725 -11.637 18.458 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.032 -13.042 16.321 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -10.762 -11.272 15.134 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -11.245 -12.621 16.143 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -11.883 -12.251 18.504 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.917 -8.995 15.932 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -12.935 -10.692 20.084 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.964 -7.432 17.513 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.972 -8.279 19.594 1.00 0.00 H new ATOM 115 N HIS A 11 -8.027 -11.814 14.346 1.00 0.00 N ATOM 116 CA HIS A 11 -7.178 -11.185 13.341 1.00 0.00 C ATOM 117 C HIS A 11 -7.948 -10.116 12.570 1.00 0.00 C ATOM 118 O HIS A 11 -8.185 -10.251 11.369 1.00 0.00 O ATOM 119 CB HIS A 11 -6.634 -12.235 12.372 1.00 0.00 C ATOM 120 CG HIS A 11 -5.654 -11.687 11.381 1.00 0.00 C ATOM 121 ND1 HIS A 11 -5.574 -12.129 10.078 1.00 0.00 N ATOM 122 CD2 HIS A 11 -4.711 -10.724 11.509 1.00 0.00 C ATOM 123 CE1 HIS A 11 -4.623 -11.464 9.447 1.00 0.00 C ATOM 124 NE2 HIS A 11 -4.084 -10.605 10.293 1.00 0.00 N ATOM 0 H HIS A 11 -8.365 -12.742 14.091 1.00 0.00 H new ATOM 0 HA HIS A 11 -6.343 -10.708 13.855 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -6.154 -13.030 12.943 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -7.467 -12.687 11.834 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -4.493 -10.156 12.401 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -4.335 -11.600 8.415 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -3.325 -9.958 10.078 1.00 0.00 H new ATOM 132 N LYS A 12 -8.337 -9.055 13.268 1.00 0.00 N ATOM 133 CA LYS A 12 -9.080 -7.963 12.651 1.00 0.00 C ATOM 134 C LYS A 12 -9.289 -6.820 13.640 1.00 0.00 C ATOM 135 O LYS A 12 -9.564 -7.047 14.818 1.00 0.00 O ATOM 136 CB LYS A 12 -10.433 -8.464 12.140 1.00 0.00 C ATOM 137 CG LYS A 12 -11.351 -8.967 13.241 1.00 0.00 C ATOM 138 CD LYS A 12 -12.800 -9.001 12.787 1.00 0.00 C ATOM 139 CE LYS A 12 -13.440 -7.623 12.862 1.00 0.00 C ATOM 140 NZ LYS A 12 -13.901 -7.300 14.241 1.00 0.00 N ATOM 0 H LYS A 12 -8.150 -8.928 14.263 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.497 -7.590 11.809 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.931 -7.656 11.604 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.266 -9.267 11.422 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.041 -9.966 13.546 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.258 -8.323 14.116 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.853 -9.373 11.764 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.361 -9.698 13.409 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.723 -6.871 12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.286 -7.578 12.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.331 -6.353 14.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.604 -8.003 14.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.090 -7.318 14.891 1.00 0.00 H new ATOM 154 N LYS A 13 -9.160 -5.591 13.152 1.00 0.00 N ATOM 155 CA LYS A 13 -9.338 -4.412 13.991 1.00 0.00 C ATOM 156 C LYS A 13 -9.498 -3.157 13.139 1.00 0.00 C ATOM 157 O LYS A 13 -8.662 -2.864 12.284 1.00 0.00 O ATOM 158 CB LYS A 13 -8.146 -4.250 14.937 1.00 0.00 C ATOM 159 CG LYS A 13 -8.327 -4.956 16.270 1.00 0.00 C ATOM 160 CD LYS A 13 -7.584 -4.240 17.386 1.00 0.00 C ATOM 161 CE LYS A 13 -6.077 -4.396 17.242 1.00 0.00 C ATOM 162 NZ LYS A 13 -5.336 -3.542 18.210 1.00 0.00 N ATOM 0 H LYS A 13 -8.933 -5.385 12.179 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.245 -4.549 14.579 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.251 -4.636 14.449 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.978 -3.188 15.118 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.388 -5.009 16.514 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.967 -5.982 16.191 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.844 -3.181 17.377 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.902 -4.638 18.350 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.804 -5.440 17.396 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.780 -4.135 16.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.313 -3.677 18.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.577 -2.543 18.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.600 -3.808 19.180 1.00 0.00 H new ATOM 176 N LEU A 14 -10.576 -2.419 13.379 1.00 0.00 N ATOM 177 CA LEU A 14 -10.845 -1.193 12.635 1.00 0.00 C ATOM 178 C LEU A 14 -11.476 -0.136 13.535 1.00 0.00 C ATOM 179 O LEU A 14 -11.879 -0.425 14.663 1.00 0.00 O ATOM 180 CB LEU A 14 -11.768 -1.486 11.450 1.00 0.00 C ATOM 181 CG LEU A 14 -11.156 -2.296 10.307 1.00 0.00 C ATOM 182 CD1 LEU A 14 -12.247 -2.905 9.440 1.00 0.00 C ATOM 183 CD2 LEU A 14 -10.232 -1.424 9.469 1.00 0.00 C ATOM 0 H LEU A 14 -11.278 -2.648 14.083 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.896 -0.807 12.264 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -12.643 -2.021 11.820 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.122 -0.537 11.047 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.567 -3.106 10.737 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.792 -3.478 8.632 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.868 -3.564 10.047 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.863 -2.111 9.019 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.806 -2.018 8.660 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.798 -0.593 9.049 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.429 -1.036 10.096 1.00 0.00 H new ATOM 195 N THR A 15 -11.560 1.091 13.030 1.00 0.00 N ATOM 196 CA THR A 15 -12.142 2.191 13.788 1.00 0.00 C ATOM 197 C THR A 15 -13.566 1.867 14.222 1.00 0.00 C ATOM 198 O THR A 15 -14.271 1.111 13.554 1.00 0.00 O ATOM 199 CB THR A 15 -12.151 3.495 12.968 1.00 0.00 C ATOM 200 OG1 THR A 15 -12.674 4.568 13.760 1.00 0.00 O ATOM 201 CG2 THR A 15 -12.985 3.335 11.707 1.00 0.00 C ATOM 0 H THR A 15 -11.232 1.348 12.099 1.00 0.00 H new ATOM 0 HA THR A 15 -11.519 2.330 14.672 1.00 0.00 H new ATOM 0 HB THR A 15 -11.125 3.724 12.679 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.675 5.394 13.232 1.00 0.00 H new ATOM 0 HG21 THR A 15 -12.977 4.268 11.144 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.567 2.537 11.093 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.010 3.084 11.978 1.00 0.00 H new ATOM 209 N GLU A 16 -13.984 2.444 15.345 1.00 0.00 N ATOM 210 CA GLU A 16 -15.326 2.214 15.867 1.00 0.00 C ATOM 211 C GLU A 16 -16.338 3.133 15.188 1.00 0.00 C ATOM 212 O GLU A 16 -15.971 4.014 14.412 1.00 0.00 O ATOM 213 CB GLU A 16 -15.354 2.437 17.380 1.00 0.00 C ATOM 214 CG GLU A 16 -14.567 1.399 18.163 1.00 0.00 C ATOM 215 CD GLU A 16 -14.341 1.805 19.606 1.00 0.00 C ATOM 216 OE1 GLU A 16 -15.339 1.968 20.339 1.00 0.00 O ATOM 217 OE2 GLU A 16 -13.167 1.960 20.003 1.00 0.00 O ATOM 0 H GLU A 16 -13.413 3.073 15.910 1.00 0.00 H new ATOM 0 HA GLU A 16 -15.599 1.180 15.654 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.954 3.427 17.600 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -16.389 2.429 17.721 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.100 0.448 18.136 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.603 1.238 17.679 1.00 0.00 H new ATOM 224 N GLY A 17 -17.616 2.919 15.486 1.00 0.00 N ATOM 225 CA GLY A 17 -18.662 3.734 14.896 1.00 0.00 C ATOM 226 C GLY A 17 -18.403 4.041 13.435 1.00 0.00 C ATOM 227 O GLY A 17 -18.396 5.203 13.029 1.00 0.00 O ATOM 0 H GLY A 17 -17.946 2.196 16.125 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -19.618 3.218 14.992 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -18.747 4.668 15.451 1.00 0.00 H new ATOM 231 N VAL A 18 -18.188 2.996 12.641 1.00 0.00 N ATOM 232 CA VAL A 18 -17.927 3.160 11.216 1.00 0.00 C ATOM 233 C VAL A 18 -18.812 2.238 10.386 1.00 0.00 C ATOM 234 O VAL A 18 -18.753 1.015 10.521 1.00 0.00 O ATOM 235 CB VAL A 18 -16.451 2.875 10.880 1.00 0.00 C ATOM 236 CG1 VAL A 18 -16.084 1.447 11.254 1.00 0.00 C ATOM 237 CG2 VAL A 18 -16.180 3.135 9.406 1.00 0.00 C ATOM 0 H VAL A 18 -18.190 2.027 12.961 1.00 0.00 H new ATOM 0 HA VAL A 18 -18.155 4.197 10.969 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.827 3.550 11.465 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -15.038 1.264 11.009 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -16.238 1.300 12.323 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -16.713 0.752 10.698 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.132 2.929 9.187 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -16.812 2.486 8.800 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.401 4.177 9.174 1.00 0.00 H new ATOM 247 N LEU A 19 -19.633 2.832 9.526 1.00 0.00 N ATOM 248 CA LEU A 19 -20.532 2.064 8.672 1.00 0.00 C ATOM 249 C LEU A 19 -20.379 2.475 7.211 1.00 0.00 C ATOM 250 O LEU A 19 -21.367 2.683 6.507 1.00 0.00 O ATOM 251 CB LEU A 19 -21.982 2.259 9.119 1.00 0.00 C ATOM 252 CG LEU A 19 -22.472 1.331 10.231 1.00 0.00 C ATOM 253 CD1 LEU A 19 -23.796 1.825 10.794 1.00 0.00 C ATOM 254 CD2 LEU A 19 -22.609 -0.094 9.715 1.00 0.00 C ATOM 0 H LEU A 19 -19.694 3.843 9.402 1.00 0.00 H new ATOM 0 HA LEU A 19 -20.268 1.010 8.763 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -22.103 3.289 9.454 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -22.629 2.128 8.252 1.00 0.00 H new ATOM 0 HG LEU A 19 -21.734 1.336 11.034 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -24.129 1.152 11.584 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -23.667 2.828 11.202 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -24.542 1.850 10.000 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -22.959 -0.740 10.520 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -23.326 -0.116 8.894 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -21.641 -0.447 9.361 1.00 0.00 H new ATOM 266 N MET A 20 -19.133 2.588 6.762 1.00 0.00 N ATOM 267 CA MET A 20 -18.851 2.971 5.383 1.00 0.00 C ATOM 268 C MET A 20 -17.585 2.286 4.877 1.00 0.00 C ATOM 269 O MET A 20 -16.589 2.194 5.594 1.00 0.00 O ATOM 270 CB MET A 20 -18.701 4.490 5.273 1.00 0.00 C ATOM 271 CG MET A 20 -17.577 5.053 6.129 1.00 0.00 C ATOM 272 SD MET A 20 -17.852 6.773 6.592 1.00 0.00 S ATOM 273 CE MET A 20 -16.995 7.622 5.268 1.00 0.00 C ATOM 0 H MET A 20 -18.304 2.420 7.332 1.00 0.00 H new ATOM 0 HA MET A 20 -19.689 2.650 4.765 1.00 0.00 H new ATOM 0 HB2 MET A 20 -18.521 4.755 4.231 1.00 0.00 H new ATOM 0 HB3 MET A 20 -19.640 4.962 5.564 1.00 0.00 H new ATOM 0 HG2 MET A 20 -17.475 4.450 7.031 1.00 0.00 H new ATOM 0 HG3 MET A 20 -16.636 4.973 5.585 1.00 0.00 H new ATOM 0 HE1 MET A 20 -17.075 8.699 5.414 1.00 0.00 H new ATOM 0 HE2 MET A 20 -15.944 7.333 5.271 1.00 0.00 H new ATOM 0 HE3 MET A 20 -17.443 7.351 4.312 1.00 0.00 H new ATOM 283 N ARG A 21 -17.633 1.806 3.638 1.00 0.00 N ATOM 284 CA ARG A 21 -16.490 1.128 3.038 1.00 0.00 C ATOM 285 C ARG A 21 -15.750 2.055 2.078 1.00 0.00 C ATOM 286 O ARG A 21 -16.368 2.826 1.344 1.00 0.00 O ATOM 287 CB ARG A 21 -16.949 -0.130 2.297 1.00 0.00 C ATOM 288 CG ARG A 21 -15.858 -1.177 2.142 1.00 0.00 C ATOM 289 CD ARG A 21 -16.443 -2.558 1.893 1.00 0.00 C ATOM 290 NE ARG A 21 -15.555 -3.392 1.087 1.00 0.00 N ATOM 291 CZ ARG A 21 -15.407 -3.252 -0.225 1.00 0.00 C ATOM 292 NH1 ARG A 21 -16.083 -2.316 -0.877 1.00 0.00 N ATOM 293 NH2 ARG A 21 -14.579 -4.049 -0.889 1.00 0.00 N ATOM 0 H ARG A 21 -18.450 1.874 3.031 1.00 0.00 H new ATOM 0 HA ARG A 21 -15.807 0.842 3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -17.790 -0.570 2.832 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -17.313 0.153 1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.204 -0.903 1.314 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.242 -1.198 3.041 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.633 -3.048 2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -17.404 -2.459 1.388 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.020 -4.122 1.558 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.719 -1.700 -0.371 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -15.967 -2.212 -1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.056 -4.770 -0.391 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.466 -3.941 -1.897 1.00 0.00 H new ATOM 307 N ASP A 22 -14.425 1.974 2.090 1.00 0.00 N ATOM 308 CA ASP A 22 -13.600 2.806 1.221 1.00 0.00 C ATOM 309 C ASP A 22 -12.337 2.062 0.796 1.00 0.00 C ATOM 310 O ASP A 22 -11.698 1.371 1.590 1.00 0.00 O ATOM 311 CB ASP A 22 -13.226 4.108 1.930 1.00 0.00 C ATOM 312 CG ASP A 22 -12.129 3.914 2.957 1.00 0.00 C ATOM 313 OD1 ASP A 22 -11.045 3.421 2.581 1.00 0.00 O ATOM 314 OD2 ASP A 22 -12.354 4.253 4.138 1.00 0.00 O ATOM 0 H ASP A 22 -13.898 1.341 2.692 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.179 3.042 0.328 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.902 4.841 1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.109 4.518 2.419 1.00 0.00 H new ATOM 319 N PRO A 23 -11.968 2.206 -0.485 1.00 0.00 N ATOM 320 CA PRO A 23 -10.780 1.555 -1.044 1.00 0.00 C ATOM 321 C PRO A 23 -9.484 2.150 -0.503 1.00 0.00 C ATOM 322 O PRO A 23 -8.956 1.695 0.512 1.00 0.00 O ATOM 323 CB PRO A 23 -10.903 1.821 -2.547 1.00 0.00 C ATOM 324 CG PRO A 23 -11.726 3.059 -2.646 1.00 0.00 C ATOM 325 CD PRO A 23 -12.683 3.014 -1.487 1.00 0.00 C ATOM 0 HA PRO A 23 -10.737 0.497 -0.786 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.924 1.959 -3.006 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.381 0.986 -3.059 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.099 3.949 -2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.263 3.096 -3.594 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.907 4.013 -1.112 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.633 2.558 -1.767 1.00 0.00 H new ATOM 333 N LYS A 24 -8.977 3.171 -1.185 1.00 0.00 N ATOM 334 CA LYS A 24 -7.744 3.831 -0.772 1.00 0.00 C ATOM 335 C LYS A 24 -7.778 5.315 -1.121 1.00 0.00 C ATOM 336 O LYS A 24 -7.758 5.689 -2.294 1.00 0.00 O ATOM 337 CB LYS A 24 -6.538 3.167 -1.441 1.00 0.00 C ATOM 338 CG LYS A 24 -5.217 3.847 -1.125 1.00 0.00 C ATOM 339 CD LYS A 24 -4.881 3.754 0.354 1.00 0.00 C ATOM 340 CE LYS A 24 -4.510 5.112 0.928 1.00 0.00 C ATOM 341 NZ LYS A 24 -3.991 5.003 2.320 1.00 0.00 N ATOM 0 H LYS A 24 -9.401 3.560 -2.027 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.653 3.732 0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.486 2.125 -1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.687 3.165 -2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.421 3.386 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.266 4.894 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.735 3.349 0.897 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.054 3.059 0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.756 5.580 0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.385 5.762 0.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.749 5.950 2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.719 4.580 2.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.141 4.403 2.328 1.00 0.00 H new ATOM 355 N PHE A 25 -7.829 6.158 -0.094 1.00 0.00 N ATOM 356 CA PHE A 25 -7.866 7.603 -0.292 1.00 0.00 C ATOM 357 C PHE A 25 -6.455 8.181 -0.339 1.00 0.00 C ATOM 358 O PHE A 25 -5.605 7.844 0.487 1.00 0.00 O ATOM 359 CB PHE A 25 -8.667 8.272 0.826 1.00 0.00 C ATOM 360 CG PHE A 25 -8.633 7.515 2.123 1.00 0.00 C ATOM 361 CD1 PHE A 25 -9.568 6.528 2.389 1.00 0.00 C ATOM 362 CD2 PHE A 25 -7.665 7.790 3.076 1.00 0.00 C ATOM 363 CE1 PHE A 25 -9.539 5.831 3.582 1.00 0.00 C ATOM 364 CE2 PHE A 25 -7.631 7.096 4.271 1.00 0.00 C ATOM 365 CZ PHE A 25 -8.569 6.114 4.524 1.00 0.00 C ATOM 0 H PHE A 25 -7.846 5.866 0.883 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.353 7.802 -1.247 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.277 9.277 0.990 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -9.703 8.381 0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -10.328 6.301 1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.928 8.556 2.883 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.275 5.065 3.778 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.872 7.321 5.006 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.544 5.569 5.456 1.00 0.00 H new ATOM 375 N LEU A 26 -6.211 9.053 -1.311 1.00 0.00 N ATOM 376 CA LEU A 26 -4.903 9.679 -1.468 1.00 0.00 C ATOM 377 C LEU A 26 -4.987 11.183 -1.228 1.00 0.00 C ATOM 378 O LEU A 26 -5.751 11.885 -1.891 1.00 0.00 O ATOM 379 CB LEU A 26 -4.348 9.404 -2.866 1.00 0.00 C ATOM 380 CG LEU A 26 -3.628 10.570 -3.544 1.00 0.00 C ATOM 381 CD1 LEU A 26 -2.270 10.806 -2.901 1.00 0.00 C ATOM 382 CD2 LEU A 26 -3.476 10.309 -5.035 1.00 0.00 C ATOM 0 H LEU A 26 -6.902 9.343 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.230 9.248 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.656 8.564 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.172 9.090 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.230 11.469 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.773 11.640 -3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.403 11.039 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.660 9.908 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.961 11.149 -5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.896 9.399 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.461 10.192 -5.486 1.00 0.00 H new ATOM 394 N TRP A 27 -4.196 11.671 -0.280 1.00 0.00 N ATOM 395 CA TRP A 27 -4.179 13.093 0.045 1.00 0.00 C ATOM 396 C TRP A 27 -2.780 13.543 0.449 1.00 0.00 C ATOM 397 O TRP A 27 -1.898 12.719 0.691 1.00 0.00 O ATOM 398 CB TRP A 27 -5.169 13.391 1.172 1.00 0.00 C ATOM 399 CG TRP A 27 -4.856 12.665 2.446 1.00 0.00 C ATOM 400 CD1 TRP A 27 -3.812 11.813 2.668 1.00 0.00 C ATOM 401 CD2 TRP A 27 -5.595 12.725 3.670 1.00 0.00 C ATOM 402 NE1 TRP A 27 -3.857 11.341 3.957 1.00 0.00 N ATOM 403 CE2 TRP A 27 -4.941 11.885 4.593 1.00 0.00 C ATOM 404 CE3 TRP A 27 -6.744 13.408 4.078 1.00 0.00 C ATOM 405 CZ2 TRP A 27 -5.400 11.711 5.896 1.00 0.00 C ATOM 406 CZ3 TRP A 27 -7.199 13.234 5.372 1.00 0.00 C ATOM 407 CH2 TRP A 27 -6.527 12.392 6.268 1.00 0.00 C ATOM 0 H TRP A 27 -3.558 11.103 0.277 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.475 13.647 -0.846 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -5.176 14.464 1.366 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.173 13.120 0.845 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -3.062 11.549 1.938 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -3.191 10.690 4.373 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -7.267 14.060 3.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -4.885 11.062 6.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.087 13.756 5.697 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.906 12.278 7.273 1.00 0.00 H new ATOM 418 N CYS A 28 -2.582 14.855 0.521 1.00 0.00 N ATOM 419 CA CYS A 28 -1.289 15.415 0.895 1.00 0.00 C ATOM 420 C CYS A 28 -1.105 15.392 2.410 1.00 0.00 C ATOM 421 O CYS A 28 -2.046 15.637 3.164 1.00 0.00 O ATOM 422 CB CYS A 28 -1.162 16.849 0.377 1.00 0.00 C ATOM 423 SG CYS A 28 -1.616 17.049 -1.376 1.00 0.00 S ATOM 0 H CYS A 28 -3.302 15.551 0.325 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.510 14.802 0.442 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.794 17.500 0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.134 17.184 0.516 1.00 0.00 H new ATOM 428 N ALA A 29 0.115 15.095 2.847 1.00 0.00 N ATOM 429 CA ALA A 29 0.424 15.042 4.271 1.00 0.00 C ATOM 430 C ALA A 29 0.154 16.385 4.941 1.00 0.00 C ATOM 431 O ALA A 29 0.195 16.496 6.166 1.00 0.00 O ATOM 432 CB ALA A 29 1.872 14.627 4.481 1.00 0.00 C ATOM 0 H ALA A 29 0.905 14.888 2.236 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.226 14.298 4.732 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.089 14.592 5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.035 13.642 4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.531 15.350 4.001 1.00 0.00 H new ATOM 438 N GLN A 30 -0.121 17.402 4.131 1.00 0.00 N ATOM 439 CA GLN A 30 -0.396 18.737 4.647 1.00 0.00 C ATOM 440 C GLN A 30 -1.853 19.122 4.414 1.00 0.00 C ATOM 441 O GLN A 30 -2.626 19.269 5.360 1.00 0.00 O ATOM 442 CB GLN A 30 0.527 19.763 3.986 1.00 0.00 C ATOM 443 CG GLN A 30 1.979 19.642 4.418 1.00 0.00 C ATOM 444 CD GLN A 30 2.208 20.129 5.836 1.00 0.00 C ATOM 445 OE1 GLN A 30 1.331 20.017 6.692 1.00 0.00 O ATOM 446 NE2 GLN A 30 3.392 20.673 6.091 1.00 0.00 N ATOM 0 H GLN A 30 -0.159 17.327 3.115 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.209 18.729 5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.468 19.648 2.904 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.169 20.766 4.220 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.292 18.601 4.340 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.606 20.215 3.735 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.090 20.746 5.351 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.604 21.018 7.027 1.00 0.00 H new ATOM 455 N CYS A 31 -2.221 19.284 3.147 1.00 0.00 N ATOM 456 CA CYS A 31 -3.586 19.652 2.788 1.00 0.00 C ATOM 457 C CYS A 31 -4.569 18.558 3.195 1.00 0.00 C ATOM 458 O CYS A 31 -5.699 18.842 3.593 1.00 0.00 O ATOM 459 CB CYS A 31 -3.687 19.912 1.284 1.00 0.00 C ATOM 460 SG CYS A 31 -4.123 18.440 0.303 1.00 0.00 S ATOM 0 H CYS A 31 -1.593 19.166 2.352 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.844 20.565 3.325 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.434 20.686 1.109 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.734 20.303 0.929 1.00 0.00 H new ATOM 465 N SER A 32 -4.131 17.308 3.090 1.00 0.00 N ATOM 466 CA SER A 32 -4.973 16.171 3.443 1.00 0.00 C ATOM 467 C SER A 32 -6.353 16.299 2.806 1.00 0.00 C ATOM 468 O SER A 32 -7.374 16.248 3.493 1.00 0.00 O ATOM 469 CB SER A 32 -5.109 16.062 4.963 1.00 0.00 C ATOM 470 OG SER A 32 -5.966 17.068 5.472 1.00 0.00 O ATOM 0 H SER A 32 -3.198 17.057 2.763 1.00 0.00 H new ATOM 0 HA SER A 32 -4.498 15.267 3.062 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.500 15.079 5.227 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.126 16.149 5.426 1.00 0.00 H new ATOM 0 HG SER A 32 -5.974 17.832 4.858 1.00 0.00 H new ATOM 476 N PHE A 33 -6.377 16.465 1.488 1.00 0.00 N ATOM 477 CA PHE A 33 -7.631 16.602 0.756 1.00 0.00 C ATOM 478 C PHE A 33 -8.589 15.466 1.104 1.00 0.00 C ATOM 479 O PHE A 33 -9.588 15.671 1.792 1.00 0.00 O ATOM 480 CB PHE A 33 -7.367 16.619 -0.751 1.00 0.00 C ATOM 481 CG PHE A 33 -8.407 17.370 -1.532 1.00 0.00 C ATOM 482 CD1 PHE A 33 -9.743 17.305 -1.174 1.00 0.00 C ATOM 483 CD2 PHE A 33 -8.047 18.142 -2.625 1.00 0.00 C ATOM 484 CE1 PHE A 33 -10.702 17.996 -1.891 1.00 0.00 C ATOM 485 CE2 PHE A 33 -9.001 18.835 -3.346 1.00 0.00 C ATOM 486 CZ PHE A 33 -10.331 18.761 -2.979 1.00 0.00 C ATOM 0 H PHE A 33 -5.542 16.508 0.904 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.093 17.546 1.047 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.391 17.067 -0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.321 15.593 -1.116 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.039 16.707 -0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.009 18.203 -2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.741 17.938 -1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.707 19.434 -4.195 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.079 19.300 -3.542 1.00 0.00 H new ATOM 496 N GLY A 34 -8.277 14.267 0.621 1.00 0.00 N ATOM 497 CA GLY A 34 -9.120 13.117 0.890 1.00 0.00 C ATOM 498 C GLY A 34 -9.938 12.703 -0.317 1.00 0.00 C ATOM 499 O GLY A 34 -11.086 13.121 -0.472 1.00 0.00 O ATOM 0 H GLY A 34 -7.456 14.072 0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.498 12.280 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.791 13.348 1.718 1.00 0.00 H new ATOM 503 N PHE A 35 -9.346 11.880 -1.177 1.00 0.00 N ATOM 504 CA PHE A 35 -10.027 11.412 -2.378 1.00 0.00 C ATOM 505 C PHE A 35 -9.390 10.126 -2.898 1.00 0.00 C ATOM 506 O PHE A 35 -8.170 10.040 -3.042 1.00 0.00 O ATOM 507 CB PHE A 35 -9.989 12.489 -3.465 1.00 0.00 C ATOM 508 CG PHE A 35 -8.599 12.845 -3.907 1.00 0.00 C ATOM 509 CD1 PHE A 35 -7.918 12.045 -4.810 1.00 0.00 C ATOM 510 CD2 PHE A 35 -7.973 13.981 -3.419 1.00 0.00 C ATOM 511 CE1 PHE A 35 -6.638 12.371 -5.218 1.00 0.00 C ATOM 512 CE2 PHE A 35 -6.693 14.312 -3.823 1.00 0.00 C ATOM 513 CZ PHE A 35 -6.025 13.507 -4.725 1.00 0.00 C ATOM 0 H PHE A 35 -8.397 11.524 -1.064 1.00 0.00 H new ATOM 0 HA PHE A 35 -11.065 11.204 -2.119 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -10.559 12.144 -4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -10.485 13.386 -3.094 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -8.392 11.157 -5.200 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.491 14.615 -2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.117 11.738 -5.922 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.216 15.199 -3.434 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.026 13.765 -5.044 1.00 0.00 H new ATOM 523 N ILE A 36 -10.224 9.131 -3.178 1.00 0.00 N ATOM 524 CA ILE A 36 -9.743 7.850 -3.682 1.00 0.00 C ATOM 525 C ILE A 36 -9.081 8.011 -5.046 1.00 0.00 C ATOM 526 O ILE A 36 -9.644 8.623 -5.954 1.00 0.00 O ATOM 527 CB ILE A 36 -10.886 6.825 -3.796 1.00 0.00 C ATOM 528 CG1 ILE A 36 -11.613 6.688 -2.457 1.00 0.00 C ATOM 529 CG2 ILE A 36 -10.345 5.477 -4.251 1.00 0.00 C ATOM 530 CD1 ILE A 36 -10.713 6.252 -1.322 1.00 0.00 C ATOM 0 H ILE A 36 -11.236 9.187 -3.065 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.008 7.484 -2.965 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.599 7.179 -4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -12.069 7.644 -2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.423 5.967 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.165 4.763 -4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.868 5.586 -5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.614 5.115 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.296 6.176 -0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.276 5.281 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.917 6.984 -1.187 1.00 0.00 H new ATOM 542 N TYR A 37 -7.882 7.455 -5.185 1.00 0.00 N ATOM 543 CA TYR A 37 -7.142 7.536 -6.439 1.00 0.00 C ATOM 544 C TYR A 37 -7.076 6.173 -7.122 1.00 0.00 C ATOM 545 O TYR A 37 -7.093 6.081 -8.349 1.00 0.00 O ATOM 546 CB TYR A 37 -5.728 8.063 -6.188 1.00 0.00 C ATOM 547 CG TYR A 37 -4.756 6.995 -5.739 1.00 0.00 C ATOM 548 CD1 TYR A 37 -4.912 6.355 -4.516 1.00 0.00 C ATOM 549 CD2 TYR A 37 -3.680 6.628 -6.538 1.00 0.00 C ATOM 550 CE1 TYR A 37 -4.026 5.380 -4.102 1.00 0.00 C ATOM 551 CE2 TYR A 37 -2.789 5.653 -6.132 1.00 0.00 C ATOM 552 CZ TYR A 37 -2.966 5.032 -4.913 1.00 0.00 C ATOM 553 OH TYR A 37 -2.080 4.062 -4.505 1.00 0.00 O ATOM 0 H TYR A 37 -7.402 6.943 -4.445 1.00 0.00 H new ATOM 0 HA TYR A 37 -7.668 8.227 -7.098 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.353 8.523 -7.102 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.770 8.846 -5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.741 6.625 -3.878 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.538 7.113 -7.492 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.162 4.892 -3.148 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.959 5.379 -6.766 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.393 3.936 -5.193 1.00 0.00 H new ATOM 563 N GLU A 38 -7.000 5.118 -6.316 1.00 0.00 N ATOM 564 CA GLU A 38 -6.931 3.760 -6.842 1.00 0.00 C ATOM 565 C GLU A 38 -6.239 3.738 -8.203 1.00 0.00 C ATOM 566 O GLU A 38 -6.651 3.013 -9.108 1.00 0.00 O ATOM 567 CB GLU A 38 -8.335 3.163 -6.962 1.00 0.00 C ATOM 568 CG GLU A 38 -9.222 3.890 -7.959 1.00 0.00 C ATOM 569 CD GLU A 38 -10.346 3.018 -8.483 1.00 0.00 C ATOM 570 OE1 GLU A 38 -10.154 1.787 -8.562 1.00 0.00 O ATOM 571 OE2 GLU A 38 -11.418 3.567 -8.815 1.00 0.00 O ATOM 0 H GLU A 38 -6.985 5.178 -5.298 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.347 3.158 -6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.252 2.117 -7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.813 3.181 -5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.645 4.776 -7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.615 4.235 -8.796 1.00 0.00 H new ATOM 578 N ARG A 39 -5.186 4.538 -8.337 1.00 0.00 N ATOM 579 CA ARG A 39 -4.438 4.612 -9.587 1.00 0.00 C ATOM 580 C ARG A 39 -3.309 3.586 -9.606 1.00 0.00 C ATOM 581 O ARG A 39 -2.643 3.402 -10.624 1.00 0.00 O ATOM 582 CB ARG A 39 -3.868 6.018 -9.781 1.00 0.00 C ATOM 583 CG ARG A 39 -3.669 6.398 -11.239 1.00 0.00 C ATOM 584 CD ARG A 39 -4.919 7.037 -11.824 1.00 0.00 C ATOM 585 NE ARG A 39 -5.812 6.046 -12.420 1.00 0.00 N ATOM 586 CZ ARG A 39 -5.524 5.367 -13.524 1.00 0.00 C ATOM 587 NH1 ARG A 39 -4.373 5.570 -14.150 1.00 0.00 N ATOM 588 NH2 ARG A 39 -6.388 4.482 -14.005 1.00 0.00 N ATOM 0 H ARG A 39 -4.832 5.143 -7.596 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.122 4.388 -10.406 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.538 6.740 -9.314 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.912 6.088 -9.262 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.831 7.090 -11.325 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.409 5.510 -11.815 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.450 7.579 -11.041 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.633 7.768 -12.580 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.706 5.866 -11.963 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.706 6.249 -13.784 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.154 5.047 -14.998 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.275 4.323 -13.526 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.165 3.961 -14.853 1.00 0.00 H new ATOM 602 N GLU A 40 -3.101 2.922 -8.473 1.00 0.00 N ATOM 603 CA GLU A 40 -2.051 1.916 -8.361 1.00 0.00 C ATOM 604 C GLU A 40 -0.733 2.439 -8.924 1.00 0.00 C ATOM 605 O GLU A 40 -0.017 1.723 -9.622 1.00 0.00 O ATOM 606 CB GLU A 40 -2.459 0.637 -9.095 1.00 0.00 C ATOM 607 CG GLU A 40 -2.612 0.819 -10.596 1.00 0.00 C ATOM 608 CD GLU A 40 -2.653 -0.501 -11.342 1.00 0.00 C ATOM 609 OE1 GLU A 40 -1.986 -1.457 -10.895 1.00 0.00 O ATOM 610 OE2 GLU A 40 -3.354 -0.577 -12.373 1.00 0.00 O ATOM 0 H GLU A 40 -3.645 3.062 -7.621 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.911 1.691 -7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.713 -0.135 -8.905 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.402 0.277 -8.683 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.527 1.376 -10.799 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.783 1.419 -10.972 1.00 0.00 H new ATOM 617 N GLN A 41 -0.421 3.694 -8.614 1.00 0.00 N ATOM 618 CA GLN A 41 0.810 4.314 -9.090 1.00 0.00 C ATOM 619 C GLN A 41 1.423 5.204 -8.013 1.00 0.00 C ATOM 620 O GLN A 41 0.740 5.624 -7.078 1.00 0.00 O ATOM 621 CB GLN A 41 0.538 5.134 -10.352 1.00 0.00 C ATOM 622 CG GLN A 41 -0.632 6.094 -10.214 1.00 0.00 C ATOM 623 CD GLN A 41 -0.436 7.372 -11.005 1.00 0.00 C ATOM 624 OE1 GLN A 41 -1.179 8.412 -10.645 1.00 0.00 O flip ATOM 625 NE2 GLN A 41 0.375 7.424 -11.930 1.00 0.00 N flip ATOM 0 H GLN A 41 -1.003 4.300 -8.036 1.00 0.00 H new ATOM 0 HA GLN A 41 1.519 3.521 -9.327 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.434 5.700 -10.607 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.344 4.454 -11.182 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.544 5.600 -10.550 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.772 6.341 -9.162 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.925 6.600 -12.173 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.497 8.291 -12.454 1.00 0.00 H new ATOM 634 N LEU A 42 2.713 5.487 -8.151 1.00 0.00 N ATOM 635 CA LEU A 42 3.419 6.328 -7.190 1.00 0.00 C ATOM 636 C LEU A 42 3.375 7.793 -7.612 1.00 0.00 C ATOM 637 O LEU A 42 3.596 8.689 -6.798 1.00 0.00 O ATOM 638 CB LEU A 42 4.871 5.869 -7.051 1.00 0.00 C ATOM 639 CG LEU A 42 5.112 4.673 -6.129 1.00 0.00 C ATOM 640 CD1 LEU A 42 6.495 4.086 -6.366 1.00 0.00 C ATOM 641 CD2 LEU A 42 4.947 5.080 -4.672 1.00 0.00 C ATOM 0 H LEU A 42 3.292 5.147 -8.919 1.00 0.00 H new ATOM 0 HA LEU A 42 2.920 6.232 -6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.249 5.620 -8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.463 6.708 -6.686 1.00 0.00 H new ATOM 0 HG LEU A 42 4.370 3.908 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.648 3.236 -5.701 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.578 3.756 -7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.252 4.845 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.122 4.216 -4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.665 5.863 -4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.935 5.452 -4.511 1.00 0.00 H new ATOM 653 N GLU A 43 3.086 8.027 -8.888 1.00 0.00 N ATOM 654 CA GLU A 43 3.011 9.384 -9.417 1.00 0.00 C ATOM 655 C GLU A 43 1.574 9.897 -9.399 1.00 0.00 C ATOM 656 O GLU A 43 0.840 9.750 -10.376 1.00 0.00 O ATOM 657 CB GLU A 43 3.563 9.431 -10.843 1.00 0.00 C ATOM 658 CG GLU A 43 4.169 10.773 -11.217 1.00 0.00 C ATOM 659 CD GLU A 43 4.942 10.721 -12.521 1.00 0.00 C ATOM 660 OE1 GLU A 43 6.106 10.268 -12.502 1.00 0.00 O ATOM 661 OE2 GLU A 43 4.383 11.133 -13.559 1.00 0.00 O ATOM 0 H GLU A 43 2.900 7.295 -9.574 1.00 0.00 H new ATOM 0 HA GLU A 43 3.616 10.028 -8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.321 8.656 -10.956 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.760 9.197 -11.542 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.375 11.516 -11.299 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.833 11.103 -10.418 1.00 0.00 H new ATOM 668 N ALA A 44 1.180 10.498 -8.281 1.00 0.00 N ATOM 669 CA ALA A 44 -0.168 11.034 -8.136 1.00 0.00 C ATOM 670 C ALA A 44 -0.143 12.551 -7.984 1.00 0.00 C ATOM 671 O ALA A 44 0.860 13.126 -7.558 1.00 0.00 O ATOM 672 CB ALA A 44 -0.865 10.393 -6.945 1.00 0.00 C ATOM 0 H ALA A 44 1.775 10.626 -7.463 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.726 10.796 -9.041 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.871 10.802 -6.848 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.925 9.315 -7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.299 10.602 -6.037 1.00 0.00 H new ATOM 678 N THR A 45 -1.252 13.195 -8.334 1.00 0.00 N ATOM 679 CA THR A 45 -1.356 14.645 -8.237 1.00 0.00 C ATOM 680 C THR A 45 -2.578 15.056 -7.424 1.00 0.00 C ATOM 681 O THR A 45 -3.530 14.288 -7.284 1.00 0.00 O ATOM 682 CB THR A 45 -1.438 15.297 -9.631 1.00 0.00 C ATOM 683 OG1 THR A 45 -0.319 14.891 -10.428 1.00 0.00 O ATOM 684 CG2 THR A 45 -1.464 16.814 -9.518 1.00 0.00 C ATOM 0 H THR A 45 -2.091 12.735 -8.687 1.00 0.00 H new ATOM 0 HA THR A 45 -0.454 14.993 -7.733 1.00 0.00 H new ATOM 0 HB THR A 45 -2.361 14.969 -10.108 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.379 15.308 -11.313 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.522 17.252 -10.514 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.333 17.121 -8.936 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.556 17.158 -9.023 1.00 0.00 H new ATOM 692 N CYS A 46 -2.545 16.272 -6.889 1.00 0.00 N ATOM 693 CA CYS A 46 -3.650 16.786 -6.089 1.00 0.00 C ATOM 694 C CYS A 46 -4.556 17.685 -6.926 1.00 0.00 C ATOM 695 O CYS A 46 -4.096 18.546 -7.676 1.00 0.00 O ATOM 696 CB CYS A 46 -3.117 17.562 -4.883 1.00 0.00 C ATOM 697 SG CYS A 46 -4.395 18.013 -3.665 1.00 0.00 S ATOM 0 H CYS A 46 -1.764 16.920 -6.995 1.00 0.00 H new ATOM 0 HA CYS A 46 -4.235 15.937 -5.736 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.353 16.963 -4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -2.630 18.471 -5.236 1.00 0.00 H new ATOM 702 N PRO A 47 -5.875 17.481 -6.796 1.00 0.00 N ATOM 703 CA PRO A 47 -6.873 18.263 -7.532 1.00 0.00 C ATOM 704 C PRO A 47 -6.949 19.708 -7.048 1.00 0.00 C ATOM 705 O PRO A 47 -7.636 20.536 -7.645 1.00 0.00 O ATOM 706 CB PRO A 47 -8.185 17.531 -7.238 1.00 0.00 C ATOM 707 CG PRO A 47 -7.951 16.843 -5.937 1.00 0.00 C ATOM 708 CD PRO A 47 -6.494 16.472 -5.921 1.00 0.00 C ATOM 0 HA PRO A 47 -6.636 18.331 -8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.021 18.227 -7.173 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.425 16.817 -8.026 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.196 17.497 -5.100 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.580 15.958 -5.845 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.082 16.507 -4.913 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.333 15.461 -6.296 1.00 0.00 H new ATOM 716 N GLN A 48 -6.239 20.002 -5.964 1.00 0.00 N ATOM 717 CA GLN A 48 -6.227 21.347 -5.401 1.00 0.00 C ATOM 718 C GLN A 48 -4.831 21.956 -5.476 1.00 0.00 C ATOM 719 O GLN A 48 -4.660 23.089 -5.928 1.00 0.00 O ATOM 720 CB GLN A 48 -6.707 21.319 -3.949 1.00 0.00 C ATOM 721 CG GLN A 48 -6.218 22.498 -3.123 1.00 0.00 C ATOM 722 CD GLN A 48 -7.178 22.869 -2.010 1.00 0.00 C ATOM 723 OE1 GLN A 48 -8.361 22.532 -2.057 1.00 0.00 O ATOM 724 NE2 GLN A 48 -6.672 23.568 -1.000 1.00 0.00 N ATOM 0 H GLN A 48 -5.665 19.328 -5.458 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.905 21.966 -5.989 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.797 21.304 -3.936 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.370 20.394 -3.481 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.245 22.257 -2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.074 23.359 -3.776 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.685 23.826 -1.002 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.270 23.847 -0.222 1.00 0.00 H new ATOM 733 N CYS A 49 -3.835 21.198 -5.030 1.00 0.00 N ATOM 734 CA CYS A 49 -2.454 21.663 -5.045 1.00 0.00 C ATOM 735 C CYS A 49 -1.834 21.481 -6.428 1.00 0.00 C ATOM 736 O CYS A 49 -0.940 22.230 -6.823 1.00 0.00 O ATOM 737 CB CYS A 49 -1.628 20.908 -4.001 1.00 0.00 C ATOM 738 SG CYS A 49 -2.393 20.850 -2.349 1.00 0.00 S ATOM 0 H CYS A 49 -3.959 20.258 -4.653 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.452 22.725 -4.801 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.465 19.888 -4.350 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.648 21.378 -3.920 1.00 0.00 H new ATOM 743 N HIS A 50 -2.316 20.481 -7.159 1.00 0.00 N ATOM 744 CA HIS A 50 -1.810 20.201 -8.499 1.00 0.00 C ATOM 745 C HIS A 50 -0.321 19.869 -8.459 1.00 0.00 C ATOM 746 O HIS A 50 0.399 20.092 -9.432 1.00 0.00 O ATOM 747 CB HIS A 50 -2.054 21.397 -9.419 1.00 0.00 C ATOM 748 CG HIS A 50 -3.501 21.638 -9.718 1.00 0.00 C ATOM 749 ND1 HIS A 50 -4.084 22.886 -9.661 1.00 0.00 N ATOM 750 CD2 HIS A 50 -4.485 20.781 -10.080 1.00 0.00 C ATOM 751 CE1 HIS A 50 -5.364 22.787 -9.973 1.00 0.00 C ATOM 752 NE2 HIS A 50 -5.633 21.520 -10.232 1.00 0.00 N ATOM 0 H HIS A 50 -3.055 19.851 -6.847 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.346 19.336 -8.890 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.633 22.291 -8.958 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.519 21.239 -10.356 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.386 19.715 -10.223 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -6.070 23.603 -10.010 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -6.545 21.150 -10.501 1.00 0.00 H new ATOM 760 N GLN A 51 0.132 19.338 -7.328 1.00 0.00 N ATOM 761 CA GLN A 51 1.535 18.978 -7.162 1.00 0.00 C ATOM 762 C GLN A 51 1.710 17.463 -7.146 1.00 0.00 C ATOM 763 O GLN A 51 0.864 16.734 -6.625 1.00 0.00 O ATOM 764 CB GLN A 51 2.089 19.581 -5.870 1.00 0.00 C ATOM 765 CG GLN A 51 3.480 19.083 -5.514 1.00 0.00 C ATOM 766 CD GLN A 51 3.833 19.326 -4.060 1.00 0.00 C ATOM 767 OE1 GLN A 51 4.720 18.500 -3.519 1.00 0.00 O flip ATOM 768 NE2 GLN A 51 3.313 20.247 -3.429 1.00 0.00 N flip ATOM 0 H GLN A 51 -0.452 19.148 -6.514 1.00 0.00 H new ATOM 0 HA GLN A 51 2.090 19.381 -8.009 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.115 20.666 -5.967 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.409 19.350 -5.050 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.545 18.016 -5.726 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.213 19.579 -6.150 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.635 20.858 -3.884 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.560 20.398 -2.451 1.00 0.00 H new ATOM 777 N THR A 52 2.813 16.993 -7.721 1.00 0.00 N ATOM 778 CA THR A 52 3.098 15.564 -7.773 1.00 0.00 C ATOM 779 C THR A 52 3.792 15.095 -6.500 1.00 0.00 C ATOM 780 O THR A 52 4.957 15.416 -6.262 1.00 0.00 O ATOM 781 CB THR A 52 3.981 15.212 -8.986 1.00 0.00 C ATOM 782 OG1 THR A 52 3.411 15.758 -10.181 1.00 0.00 O ATOM 783 CG2 THR A 52 4.126 13.705 -9.130 1.00 0.00 C ATOM 0 H THR A 52 3.523 17.581 -8.157 1.00 0.00 H new ATOM 0 HA THR A 52 2.140 15.053 -7.870 1.00 0.00 H new ATOM 0 HB THR A 52 4.970 15.642 -8.826 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.979 15.532 -10.947 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.753 13.481 -9.993 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.586 13.296 -8.231 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.142 13.257 -9.270 1.00 0.00 H new ATOM 791 N PHE A 53 3.071 14.333 -5.685 1.00 0.00 N ATOM 792 CA PHE A 53 3.618 13.819 -4.435 1.00 0.00 C ATOM 793 C PHE A 53 3.383 12.316 -4.315 1.00 0.00 C ATOM 794 O PHE A 53 2.374 11.794 -4.791 1.00 0.00 O ATOM 795 CB PHE A 53 2.988 14.541 -3.243 1.00 0.00 C ATOM 796 CG PHE A 53 1.543 14.194 -3.027 1.00 0.00 C ATOM 797 CD1 PHE A 53 0.549 14.820 -3.761 1.00 0.00 C ATOM 798 CD2 PHE A 53 1.178 13.241 -2.089 1.00 0.00 C ATOM 799 CE1 PHE A 53 -0.782 14.503 -3.564 1.00 0.00 C ATOM 800 CE2 PHE A 53 -0.151 12.919 -1.888 1.00 0.00 C ATOM 801 CZ PHE A 53 -1.132 13.551 -2.627 1.00 0.00 C ATOM 0 H PHE A 53 2.106 14.058 -5.868 1.00 0.00 H new ATOM 0 HA PHE A 53 4.693 14.002 -4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.551 14.297 -2.342 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.077 15.617 -3.392 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.817 15.565 -4.496 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.941 12.744 -1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.547 14.999 -4.142 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.422 12.174 -1.154 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.171 13.301 -2.472 1.00 0.00 H new ATOM 811 N CYS A 54 4.322 11.625 -3.677 1.00 0.00 N ATOM 812 CA CYS A 54 4.220 10.182 -3.495 1.00 0.00 C ATOM 813 C CYS A 54 2.939 9.817 -2.750 1.00 0.00 C ATOM 814 O CYS A 54 2.439 10.594 -1.936 1.00 0.00 O ATOM 815 CB CYS A 54 5.436 9.656 -2.730 1.00 0.00 C ATOM 816 SG CYS A 54 5.543 7.839 -2.663 1.00 0.00 S ATOM 0 H CYS A 54 5.163 12.042 -3.277 1.00 0.00 H new ATOM 0 HA CYS A 54 4.191 9.718 -4.481 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.341 10.046 -3.196 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.408 10.045 -1.712 1.00 0.00 H new ATOM 821 N VAL A 55 2.413 8.630 -3.035 1.00 0.00 N ATOM 822 CA VAL A 55 1.192 8.161 -2.391 1.00 0.00 C ATOM 823 C VAL A 55 1.508 7.333 -1.151 1.00 0.00 C ATOM 824 O VAL A 55 0.659 7.158 -0.276 1.00 0.00 O ATOM 825 CB VAL A 55 0.338 7.317 -3.355 1.00 0.00 C ATOM 826 CG1 VAL A 55 -0.063 8.137 -4.572 1.00 0.00 C ATOM 827 CG2 VAL A 55 1.090 6.062 -3.773 1.00 0.00 C ATOM 0 H VAL A 55 2.813 7.976 -3.707 1.00 0.00 H new ATOM 0 HA VAL A 55 0.628 9.047 -2.098 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.571 7.013 -2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.666 7.524 -5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.643 9.003 -4.252 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.832 8.473 -5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.472 5.477 -4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.016 6.343 -4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.321 5.466 -2.890 1.00 0.00 H new ATOM 837 N ARG A 56 2.734 6.825 -1.082 1.00 0.00 N ATOM 838 CA ARG A 56 3.162 6.014 0.052 1.00 0.00 C ATOM 839 C ARG A 56 3.706 6.892 1.174 1.00 0.00 C ATOM 840 O ARG A 56 3.059 7.069 2.207 1.00 0.00 O ATOM 841 CB ARG A 56 4.230 5.010 -0.387 1.00 0.00 C ATOM 842 CG ARG A 56 3.670 3.819 -1.148 1.00 0.00 C ATOM 843 CD ARG A 56 4.758 2.813 -1.487 1.00 0.00 C ATOM 844 NE ARG A 56 4.244 1.447 -1.538 1.00 0.00 N ATOM 845 CZ ARG A 56 4.090 0.679 -0.464 1.00 0.00 C ATOM 846 NH1 ARG A 56 4.408 1.142 0.737 1.00 0.00 N ATOM 847 NH2 ARG A 56 3.616 -0.553 -0.591 1.00 0.00 N ATOM 0 H ARG A 56 3.448 6.960 -1.797 1.00 0.00 H new ATOM 0 HA ARG A 56 2.294 5.472 0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.961 5.521 -1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.762 4.650 0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.898 3.334 -0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.193 4.164 -2.065 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.202 3.069 -2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.552 2.874 -0.743 1.00 0.00 H new ATOM 0 HE ARG A 56 3.989 1.061 -2.447 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.772 2.090 0.838 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.289 0.551 1.560 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.369 -0.912 -1.513 1.00 0.00 H new ATOM 0 HH22 ARG A 56 3.498 -1.142 0.234 1.00 0.00 H new ATOM 861 N CYS A 57 4.899 7.440 0.965 1.00 0.00 N ATOM 862 CA CYS A 57 5.531 8.299 1.959 1.00 0.00 C ATOM 863 C CYS A 57 4.786 9.626 2.084 1.00 0.00 C ATOM 864 O CYS A 57 4.905 10.325 3.090 1.00 0.00 O ATOM 865 CB CYS A 57 6.992 8.556 1.587 1.00 0.00 C ATOM 866 SG CYS A 57 7.238 9.085 -0.139 1.00 0.00 S ATOM 0 H CYS A 57 5.447 7.304 0.116 1.00 0.00 H new ATOM 0 HA CYS A 57 5.492 7.788 2.921 1.00 0.00 H new ATOM 0 HB2 CYS A 57 7.396 9.320 2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.566 7.646 1.762 1.00 0.00 H new ATOM 871 N LYS A 58 4.018 9.965 1.055 1.00 0.00 N ATOM 872 CA LYS A 58 3.252 11.206 1.048 1.00 0.00 C ATOM 873 C LYS A 58 4.178 12.417 1.086 1.00 0.00 C ATOM 874 O LYS A 58 3.897 13.404 1.766 1.00 0.00 O ATOM 875 CB LYS A 58 2.294 11.245 2.241 1.00 0.00 C ATOM 876 CG LYS A 58 1.313 10.086 2.272 1.00 0.00 C ATOM 877 CD LYS A 58 0.470 10.036 1.009 1.00 0.00 C ATOM 878 CE LYS A 58 -0.767 9.172 1.198 1.00 0.00 C ATOM 879 NZ LYS A 58 -1.633 9.676 2.299 1.00 0.00 N ATOM 0 H LYS A 58 3.909 9.398 0.214 1.00 0.00 H new ATOM 0 HA LYS A 58 2.674 11.242 0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.875 11.243 3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.736 12.181 2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.859 9.149 2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.662 10.182 3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.170 11.046 0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.068 9.643 0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.338 9.147 0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.465 8.147 1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.578 9.026 3.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.309 10.620 2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.617 9.734 1.968 1.00 0.00 H new ATOM 893 N ARG A 59 5.282 12.336 0.350 1.00 0.00 N ATOM 894 CA ARG A 59 6.249 13.426 0.300 1.00 0.00 C ATOM 895 C ARG A 59 6.408 13.946 -1.125 1.00 0.00 C ATOM 896 O ARG A 59 5.869 13.370 -2.070 1.00 0.00 O ATOM 897 CB ARG A 59 7.603 12.960 0.839 1.00 0.00 C ATOM 898 CG ARG A 59 8.525 12.401 -0.232 1.00 0.00 C ATOM 899 CD ARG A 59 9.910 12.107 0.322 1.00 0.00 C ATOM 900 NE ARG A 59 10.782 13.278 0.265 1.00 0.00 N ATOM 901 CZ ARG A 59 10.882 14.169 1.245 1.00 0.00 C ATOM 902 NH1 ARG A 59 10.168 14.024 2.352 1.00 0.00 N ATOM 903 NH2 ARG A 59 11.698 15.207 1.118 1.00 0.00 N ATOM 0 H ARG A 59 5.529 11.527 -0.220 1.00 0.00 H new ATOM 0 HA ARG A 59 5.877 14.238 0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.097 13.798 1.330 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.439 12.197 1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.095 11.488 -0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.604 13.113 -1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.823 11.769 1.355 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.361 11.291 -0.243 1.00 0.00 H new ATOM 0 HE ARG A 59 11.345 13.419 -0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.540 13.227 2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.247 14.710 3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.249 15.321 0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.774 15.891 1.871 1.00 0.00 H new ATOM 917 N GLN A 60 7.151 15.038 -1.272 1.00 0.00 N ATOM 918 CA GLN A 60 7.380 15.636 -2.582 1.00 0.00 C ATOM 919 C GLN A 60 8.077 14.652 -3.515 1.00 0.00 C ATOM 920 O GLN A 60 9.215 14.250 -3.271 1.00 0.00 O ATOM 921 CB GLN A 60 8.218 16.909 -2.445 1.00 0.00 C ATOM 922 CG GLN A 60 7.999 17.905 -3.573 1.00 0.00 C ATOM 923 CD GLN A 60 8.704 19.225 -3.331 1.00 0.00 C ATOM 924 OE1 GLN A 60 9.822 19.260 -2.816 1.00 0.00 O ATOM 925 NE2 GLN A 60 8.052 20.321 -3.702 1.00 0.00 N ATOM 0 H GLN A 60 7.605 15.527 -0.500 1.00 0.00 H new ATOM 0 HA GLN A 60 6.411 15.891 -3.012 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.981 17.390 -1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.273 16.638 -2.411 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.355 17.473 -4.508 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.930 18.085 -3.692 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.127 20.245 -4.125 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.476 21.238 -3.564 1.00 0.00 H new ATOM 934 N TRP A 61 7.388 14.268 -4.583 1.00 0.00 N ATOM 935 CA TRP A 61 7.942 13.330 -5.553 1.00 0.00 C ATOM 936 C TRP A 61 9.281 13.827 -6.088 1.00 0.00 C ATOM 937 O TRP A 61 9.498 15.031 -6.219 1.00 0.00 O ATOM 938 CB TRP A 61 6.962 13.123 -6.710 1.00 0.00 C ATOM 939 CG TRP A 61 7.346 11.994 -7.618 1.00 0.00 C ATOM 940 CD1 TRP A 61 7.708 12.086 -8.931 1.00 0.00 C ATOM 941 CD2 TRP A 61 7.403 10.604 -7.280 1.00 0.00 C ATOM 942 NE1 TRP A 61 7.987 10.837 -9.431 1.00 0.00 N ATOM 943 CE2 TRP A 61 7.808 9.911 -8.437 1.00 0.00 C ATOM 944 CE3 TRP A 61 7.154 9.878 -6.113 1.00 0.00 C ATOM 945 CZ2 TRP A 61 7.968 8.528 -8.458 1.00 0.00 C ATOM 946 CZ3 TRP A 61 7.312 8.505 -6.135 1.00 0.00 C ATOM 947 CH2 TRP A 61 7.717 7.842 -7.301 1.00 0.00 C ATOM 0 H TRP A 61 6.445 14.591 -4.800 1.00 0.00 H new ATOM 0 HA TRP A 61 8.105 12.378 -5.048 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.968 12.932 -6.305 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.898 14.042 -7.292 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.767 13.006 -9.494 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.280 10.632 -10.386 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.843 10.381 -5.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 8.279 8.015 -9.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.120 7.934 -5.239 1.00 0.00 H new ATOM 0 HH2 TRP A 61 7.833 6.768 -7.286 1.00 0.00 H new ATOM 958 N GLU A 62 10.174 12.892 -6.394 1.00 0.00 N ATOM 959 CA GLU A 62 11.492 13.237 -6.914 1.00 0.00 C ATOM 960 C GLU A 62 11.889 12.303 -8.054 1.00 0.00 C ATOM 961 O GLU A 62 11.668 11.095 -7.985 1.00 0.00 O ATOM 962 CB GLU A 62 12.538 13.171 -5.799 1.00 0.00 C ATOM 963 CG GLU A 62 13.902 13.700 -6.211 1.00 0.00 C ATOM 964 CD GLU A 62 14.004 15.208 -6.088 1.00 0.00 C ATOM 965 OE1 GLU A 62 13.209 15.912 -6.745 1.00 0.00 O ATOM 966 OE2 GLU A 62 14.879 15.684 -5.335 1.00 0.00 O ATOM 0 H GLU A 62 10.009 11.891 -6.291 1.00 0.00 H new ATOM 0 HA GLU A 62 11.447 14.255 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.180 13.742 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.643 12.137 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.670 13.236 -5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.104 13.409 -7.242 1.00 0.00 H new ATOM 973 N GLU A 63 12.477 12.873 -9.101 1.00 0.00 N ATOM 974 CA GLU A 63 12.903 12.092 -10.256 1.00 0.00 C ATOM 975 C GLU A 63 13.682 10.854 -9.818 1.00 0.00 C ATOM 976 O GLU A 63 13.602 9.803 -10.452 1.00 0.00 O ATOM 977 CB GLU A 63 13.765 12.947 -11.188 1.00 0.00 C ATOM 978 CG GLU A 63 12.963 13.926 -12.030 1.00 0.00 C ATOM 979 CD GLU A 63 13.623 14.226 -13.362 1.00 0.00 C ATOM 980 OE1 GLU A 63 14.831 14.542 -13.367 1.00 0.00 O ATOM 981 OE2 GLU A 63 12.932 14.144 -14.398 1.00 0.00 O ATOM 0 H GLU A 63 12.669 13.872 -9.173 1.00 0.00 H new ATOM 0 HA GLU A 63 12.011 11.768 -10.793 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.490 13.502 -10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.331 12.291 -11.849 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.968 13.518 -12.206 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.833 14.855 -11.475 1.00 0.00 H new ATOM 988 N GLN A 64 14.435 10.990 -8.731 1.00 0.00 N ATOM 989 CA GLN A 64 15.229 9.884 -8.210 1.00 0.00 C ATOM 990 C GLN A 64 14.332 8.802 -7.616 1.00 0.00 C ATOM 991 O GLN A 64 14.639 7.613 -7.698 1.00 0.00 O ATOM 992 CB GLN A 64 16.210 10.388 -7.150 1.00 0.00 C ATOM 993 CG GLN A 64 17.181 11.436 -7.670 1.00 0.00 C ATOM 994 CD GLN A 64 17.927 10.978 -8.908 1.00 0.00 C ATOM 995 OE1 GLN A 64 18.125 9.782 -9.120 1.00 0.00 O ATOM 996 NE2 GLN A 64 18.345 11.931 -9.733 1.00 0.00 N ATOM 0 H GLN A 64 14.512 11.854 -8.195 1.00 0.00 H new ATOM 0 HA GLN A 64 15.790 9.451 -9.038 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.647 10.808 -6.316 1.00 0.00 H new ATOM 0 HB3 GLN A 64 16.776 9.542 -6.759 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.634 12.351 -7.898 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.899 11.680 -6.887 1.00 0.00 H new ATOM 0 HE21 GLN A 64 18.158 12.910 -9.517 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.853 11.684 -10.582 1.00 0.00 H new ATOM 1005 N HIS A 65 13.222 9.224 -7.018 1.00 0.00 N ATOM 1006 CA HIS A 65 12.280 8.290 -6.410 1.00 0.00 C ATOM 1007 C HIS A 65 11.688 7.355 -7.460 1.00 0.00 C ATOM 1008 O HIS A 65 11.387 6.196 -7.174 1.00 0.00 O ATOM 1009 CB HIS A 65 11.161 9.053 -5.700 1.00 0.00 C ATOM 1010 CG HIS A 65 10.499 8.267 -4.610 1.00 0.00 C ATOM 1011 ND1 HIS A 65 10.354 6.897 -4.652 1.00 0.00 N ATOM 1012 CD2 HIS A 65 9.942 8.668 -3.443 1.00 0.00 C ATOM 1013 CE1 HIS A 65 9.736 6.488 -3.558 1.00 0.00 C ATOM 1014 NE2 HIS A 65 9.475 7.543 -2.808 1.00 0.00 N ATOM 0 H HIS A 65 12.953 10.205 -6.941 1.00 0.00 H new ATOM 0 HA HIS A 65 12.821 7.690 -5.679 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.569 9.971 -5.278 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.410 9.346 -6.433 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.674 6.293 -5.409 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.877 9.683 -3.079 1.00 0.00 H new ATOM 0 HE1 HIS A 65 9.487 5.465 -3.318 1.00 0.00 H new ATOM 1022 N ARG A 66 11.522 7.867 -8.676 1.00 0.00 N ATOM 1023 CA ARG A 66 10.964 7.078 -9.767 1.00 0.00 C ATOM 1024 C ARG A 66 11.675 5.733 -9.884 1.00 0.00 C ATOM 1025 O ARG A 66 12.898 5.673 -9.994 1.00 0.00 O ATOM 1026 CB ARG A 66 11.077 7.843 -11.087 1.00 0.00 C ATOM 1027 CG ARG A 66 9.870 8.717 -11.389 1.00 0.00 C ATOM 1028 CD ARG A 66 10.236 9.873 -12.307 1.00 0.00 C ATOM 1029 NE ARG A 66 10.058 9.531 -13.716 1.00 0.00 N ATOM 1030 CZ ARG A 66 10.058 10.428 -14.695 1.00 0.00 C ATOM 1031 NH1 ARG A 66 10.225 11.715 -14.421 1.00 0.00 N ATOM 1032 NH2 ARG A 66 9.890 10.039 -15.953 1.00 0.00 N ATOM 0 H ARG A 66 11.766 8.824 -8.930 1.00 0.00 H new ATOM 0 HA ARG A 66 9.912 6.896 -9.549 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.970 8.468 -11.060 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.211 7.130 -11.900 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.090 8.114 -11.854 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.459 9.106 -10.458 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.620 10.738 -12.063 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.273 10.161 -12.132 1.00 0.00 H new ATOM 0 HE ARG A 66 9.927 8.550 -13.961 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.354 12.018 -13.456 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.224 12.401 -15.176 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.761 9.050 -16.168 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.890 10.729 -16.704 1.00 0.00 H new ATOM 1046 N GLY A 67 10.897 4.654 -9.859 1.00 0.00 N ATOM 1047 CA GLY A 67 11.470 3.324 -9.963 1.00 0.00 C ATOM 1048 C GLY A 67 11.804 2.730 -8.609 1.00 0.00 C ATOM 1049 O GLY A 67 11.696 1.520 -8.411 1.00 0.00 O ATOM 0 H GLY A 67 9.881 4.677 -9.769 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.769 2.669 -10.481 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.374 3.368 -10.570 1.00 0.00 H new ATOM 1053 N ARG A 68 12.214 3.583 -7.676 1.00 0.00 N ATOM 1054 CA ARG A 68 12.569 3.135 -6.334 1.00 0.00 C ATOM 1055 C ARG A 68 11.390 3.292 -5.379 1.00 0.00 C ATOM 1056 O ARG A 68 10.292 3.669 -5.789 1.00 0.00 O ATOM 1057 CB ARG A 68 13.772 3.922 -5.812 1.00 0.00 C ATOM 1058 CG ARG A 68 15.027 3.745 -6.650 1.00 0.00 C ATOM 1059 CD ARG A 68 16.001 4.895 -6.446 1.00 0.00 C ATOM 1060 NE ARG A 68 17.332 4.582 -6.958 1.00 0.00 N ATOM 1061 CZ ARG A 68 18.231 3.873 -6.283 1.00 0.00 C ATOM 1062 NH1 ARG A 68 17.942 3.406 -5.077 1.00 0.00 N ATOM 1063 NH2 ARG A 68 19.422 3.631 -6.816 1.00 0.00 N ATOM 0 H ARG A 68 12.309 4.588 -7.824 1.00 0.00 H new ATOM 0 HA ARG A 68 12.831 2.078 -6.388 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.515 4.981 -5.777 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.982 3.611 -4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.512 2.805 -6.386 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.756 3.679 -7.704 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.620 5.785 -6.946 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.067 5.130 -5.384 1.00 0.00 H new ATOM 0 HE ARG A 68 17.586 4.926 -7.884 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.028 3.590 -4.664 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.634 2.862 -4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.648 3.989 -7.744 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.112 3.087 -6.298 1.00 0.00 H new ATOM 1077 N SER A 69 11.625 3.001 -4.103 1.00 0.00 N ATOM 1078 CA SER A 69 10.582 3.106 -3.090 1.00 0.00 C ATOM 1079 C SER A 69 10.956 4.138 -2.030 1.00 0.00 C ATOM 1080 O SER A 69 12.065 4.673 -2.032 1.00 0.00 O ATOM 1081 CB SER A 69 10.342 1.746 -2.432 1.00 0.00 C ATOM 1082 OG SER A 69 11.540 1.229 -1.879 1.00 0.00 O ATOM 0 H SER A 69 12.529 2.691 -3.747 1.00 0.00 H new ATOM 0 HA SER A 69 9.665 3.431 -3.581 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.589 1.845 -1.650 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.946 1.047 -3.169 1.00 0.00 H new ATOM 0 HG SER A 69 11.360 0.360 -1.463 1.00 0.00 H new ATOM 1088 N CYS A 70 10.022 4.414 -1.126 1.00 0.00 N ATOM 1089 CA CYS A 70 10.250 5.381 -0.060 1.00 0.00 C ATOM 1090 C CYS A 70 11.501 5.025 0.739 1.00 0.00 C ATOM 1091 O CYS A 70 12.204 5.905 1.233 1.00 0.00 O ATOM 1092 CB CYS A 70 9.038 5.443 0.870 1.00 0.00 C ATOM 1093 SG CYS A 70 7.440 5.556 0.003 1.00 0.00 S ATOM 0 H CYS A 70 9.099 3.981 -1.111 1.00 0.00 H new ATOM 0 HA CYS A 70 10.398 6.359 -0.517 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.034 4.556 1.503 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.143 6.305 1.529 1.00 0.00 H new ATOM 1098 N GLU A 71 11.770 3.729 0.859 1.00 0.00 N ATOM 1099 CA GLU A 71 12.935 3.257 1.598 1.00 0.00 C ATOM 1100 C GLU A 71 14.221 3.541 0.827 1.00 0.00 C ATOM 1101 O GLU A 71 15.059 4.329 1.264 1.00 0.00 O ATOM 1102 CB GLU A 71 12.816 1.758 1.879 1.00 0.00 C ATOM 1103 CG GLU A 71 13.966 1.199 2.700 1.00 0.00 C ATOM 1104 CD GLU A 71 13.550 0.020 3.559 1.00 0.00 C ATOM 1105 OE1 GLU A 71 12.949 -0.929 3.014 1.00 0.00 O ATOM 1106 OE2 GLU A 71 13.827 0.047 4.776 1.00 0.00 O ATOM 0 H GLU A 71 11.198 2.988 0.454 1.00 0.00 H new ATOM 0 HA GLU A 71 12.974 3.795 2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.880 1.569 2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.763 1.222 0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.769 0.891 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.368 1.986 3.339 1.00 0.00 H new ATOM 1113 N ASP A 72 14.368 2.893 -0.324 1.00 0.00 N ATOM 1114 CA ASP A 72 15.550 3.075 -1.158 1.00 0.00 C ATOM 1115 C ASP A 72 15.779 4.552 -1.462 1.00 0.00 C ATOM 1116 O ASP A 72 16.900 5.051 -1.361 1.00 0.00 O ATOM 1117 CB ASP A 72 15.406 2.289 -2.462 1.00 0.00 C ATOM 1118 CG ASP A 72 15.962 0.883 -2.355 1.00 0.00 C ATOM 1119 OD1 ASP A 72 16.978 0.699 -1.653 1.00 0.00 O ATOM 1120 OD2 ASP A 72 15.382 -0.033 -2.975 1.00 0.00 O ATOM 0 H ASP A 72 13.683 2.237 -0.700 1.00 0.00 H new ATOM 0 HA ASP A 72 16.413 2.698 -0.609 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.353 2.240 -2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 72 15.921 2.820 -3.262 1.00 0.00 H new ATOM 1125 N PHE A 73 14.709 5.246 -1.835 1.00 0.00 N ATOM 1126 CA PHE A 73 14.793 6.667 -2.156 1.00 0.00 C ATOM 1127 C PHE A 73 15.517 7.432 -1.052 1.00 0.00 C ATOM 1128 O PHE A 73 16.473 8.161 -1.313 1.00 0.00 O ATOM 1129 CB PHE A 73 13.393 7.248 -2.362 1.00 0.00 C ATOM 1130 CG PHE A 73 13.386 8.736 -2.567 1.00 0.00 C ATOM 1131 CD1 PHE A 73 14.044 9.302 -3.647 1.00 0.00 C ATOM 1132 CD2 PHE A 73 12.722 9.568 -1.681 1.00 0.00 C ATOM 1133 CE1 PHE A 73 14.040 10.671 -3.838 1.00 0.00 C ATOM 1134 CE2 PHE A 73 12.714 10.938 -1.867 1.00 0.00 C ATOM 1135 CZ PHE A 73 13.373 11.490 -2.948 1.00 0.00 C ATOM 0 H PHE A 73 13.774 4.848 -1.923 1.00 0.00 H new ATOM 0 HA PHE A 73 15.362 6.773 -3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 73 12.933 6.768 -3.226 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.777 7.006 -1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 73 14.566 8.667 -4.347 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.204 9.141 -0.835 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.558 11.100 -4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.193 11.576 -1.168 1.00 0.00 H new ATOM 0 HZ PHE A 73 13.367 12.560 -3.097 1.00 0.00 H new ATOM 1145 N GLN A 74 15.052 7.260 0.182 1.00 0.00 N ATOM 1146 CA GLN A 74 15.654 7.935 1.325 1.00 0.00 C ATOM 1147 C GLN A 74 17.164 7.723 1.350 1.00 0.00 C ATOM 1148 O GLN A 74 17.932 8.678 1.460 1.00 0.00 O ATOM 1149 CB GLN A 74 15.034 7.427 2.628 1.00 0.00 C ATOM 1150 CG GLN A 74 15.704 7.979 3.876 1.00 0.00 C ATOM 1151 CD GLN A 74 14.866 7.782 5.124 1.00 0.00 C ATOM 1152 OE1 GLN A 74 13.643 7.921 5.093 1.00 0.00 O ATOM 1153 NE2 GLN A 74 15.521 7.457 6.232 1.00 0.00 N ATOM 0 H GLN A 74 14.261 6.659 0.415 1.00 0.00 H new ATOM 0 HA GLN A 74 15.458 9.003 1.229 1.00 0.00 H new ATOM 0 HB2 GLN A 74 13.977 7.693 2.645 1.00 0.00 H new ATOM 0 HB3 GLN A 74 15.090 6.339 2.647 1.00 0.00 H new ATOM 0 HG2 GLN A 74 16.670 7.492 4.011 1.00 0.00 H new ATOM 0 HG3 GLN A 74 15.900 9.042 3.739 1.00 0.00 H new ATOM 0 HE21 GLN A 74 16.535 7.352 6.213 1.00 0.00 H new ATOM 0 HE22 GLN A 74 15.010 7.312 7.103 1.00 0.00 H new ATOM 1162 N ASN A 75 17.582 6.466 1.246 1.00 0.00 N ATOM 1163 CA ASN A 75 19.000 6.129 1.258 1.00 0.00 C ATOM 1164 C ASN A 75 19.766 6.962 0.234 1.00 0.00 C ATOM 1165 O ASN A 75 20.923 7.322 0.452 1.00 0.00 O ATOM 1166 CB ASN A 75 19.194 4.639 0.966 1.00 0.00 C ATOM 1167 CG ASN A 75 18.728 3.761 2.111 1.00 0.00 C ATOM 1168 OD1 ASN A 75 19.428 3.601 3.111 1.00 0.00 O ATOM 1169 ND2 ASN A 75 17.539 3.186 1.969 1.00 0.00 N ATOM 0 H ASN A 75 16.959 5.664 1.152 1.00 0.00 H new ATOM 0 HA ASN A 75 19.392 6.353 2.250 1.00 0.00 H new ATOM 0 HB2 ASN A 75 18.646 4.374 0.062 1.00 0.00 H new ATOM 0 HB3 ASN A 75 20.248 4.444 0.768 1.00 0.00 H new ATOM 0 HD21 ASN A 75 17.172 2.584 2.706 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.993 3.347 1.123 1.00 0.00 H new ATOM 1176 N TRP A 76 19.112 7.266 -0.881 1.00 0.00 N ATOM 1177 CA TRP A 76 19.731 8.058 -1.938 1.00 0.00 C ATOM 1178 C TRP A 76 19.869 9.517 -1.515 1.00 0.00 C ATOM 1179 O TRP A 76 20.790 10.213 -1.943 1.00 0.00 O ATOM 1180 CB TRP A 76 18.907 7.963 -3.223 1.00 0.00 C ATOM 1181 CG TRP A 76 19.427 8.833 -4.327 1.00 0.00 C ATOM 1182 CD1 TRP A 76 20.058 8.422 -5.466 1.00 0.00 C ATOM 1183 CD2 TRP A 76 19.361 10.262 -4.396 1.00 0.00 C ATOM 1184 NE1 TRP A 76 20.389 9.509 -6.239 1.00 0.00 N ATOM 1185 CE2 TRP A 76 19.972 10.649 -5.605 1.00 0.00 C ATOM 1186 CE3 TRP A 76 18.845 11.251 -3.555 1.00 0.00 C ATOM 1187 CZ2 TRP A 76 20.079 11.983 -5.990 1.00 0.00 C ATOM 1188 CZ3 TRP A 76 18.952 12.574 -3.938 1.00 0.00 C ATOM 1189 CH2 TRP A 76 19.565 12.931 -5.147 1.00 0.00 C ATOM 0 H TRP A 76 18.154 6.976 -1.077 1.00 0.00 H new ATOM 0 HA TRP A 76 20.727 7.657 -2.123 1.00 0.00 H new ATOM 0 HB2 TRP A 76 18.894 6.927 -3.562 1.00 0.00 H new ATOM 0 HB3 TRP A 76 17.876 8.241 -3.006 1.00 0.00 H new ATOM 0 HD1 TRP A 76 20.266 7.394 -5.722 1.00 0.00 H new ATOM 0 HE1 TRP A 76 20.868 9.473 -7.139 1.00 0.00 H new ATOM 0 HE3 TRP A 76 18.371 10.986 -2.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 20.551 12.260 -6.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 18.557 13.346 -3.295 1.00 0.00 H new ATOM 0 HH2 TRP A 76 19.633 13.974 -5.419 1.00 0.00 H new ATOM 1200 N LYS A 77 18.949 9.974 -0.672 1.00 0.00 N ATOM 1201 CA LYS A 77 18.969 11.350 -0.190 1.00 0.00 C ATOM 1202 C LYS A 77 20.126 11.569 0.781 1.00 0.00 C ATOM 1203 O LYS A 77 20.830 12.576 0.704 1.00 0.00 O ATOM 1204 CB LYS A 77 17.644 11.691 0.495 1.00 0.00 C ATOM 1205 CG LYS A 77 16.427 11.449 -0.382 1.00 0.00 C ATOM 1206 CD LYS A 77 16.316 12.492 -1.482 1.00 0.00 C ATOM 1207 CE LYS A 77 15.974 13.862 -0.918 1.00 0.00 C ATOM 1208 NZ LYS A 77 15.230 14.697 -1.902 1.00 0.00 N ATOM 0 H LYS A 77 18.180 9.411 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 77 19.108 12.008 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 77 17.551 11.097 1.404 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.660 12.738 0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 77 16.489 10.456 -0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 77 15.526 11.468 0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 77 17.257 12.547 -2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 77 15.550 12.190 -2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.375 13.744 -0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.891 14.374 -0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.015 15.623 -1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.812 14.831 -2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.342 14.221 -2.161 1.00 0.00 H new ATOM 1222 N ARG A 78 20.315 10.621 1.692 1.00 0.00 N ATOM 1223 CA ARG A 78 21.387 10.711 2.677 1.00 0.00 C ATOM 1224 C ARG A 78 22.752 10.576 2.009 1.00 0.00 C ATOM 1225 O ARG A 78 23.736 11.159 2.463 1.00 0.00 O ATOM 1226 CB ARG A 78 21.219 9.628 3.744 1.00 0.00 C ATOM 1227 CG ARG A 78 21.574 8.233 3.257 1.00 0.00 C ATOM 1228 CD ARG A 78 21.673 7.248 4.411 1.00 0.00 C ATOM 1229 NE ARG A 78 22.880 7.456 5.206 1.00 0.00 N ATOM 1230 CZ ARG A 78 24.097 7.115 4.797 1.00 0.00 C ATOM 1231 NH1 ARG A 78 24.267 6.553 3.608 1.00 0.00 N ATOM 1232 NH2 ARG A 78 25.147 7.336 5.577 1.00 0.00 N ATOM 0 H ARG A 78 19.740 9.782 1.769 1.00 0.00 H new ATOM 0 HA ARG A 78 21.330 11.691 3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 78 21.845 9.875 4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.186 9.630 4.092 1.00 0.00 H new ATOM 0 HG2 ARG A 78 20.819 7.891 2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.523 8.264 2.721 1.00 0.00 H new ATOM 0 HD2 ARG A 78 20.796 7.349 5.050 1.00 0.00 H new ATOM 0 HD3 ARG A 78 21.667 6.230 4.021 1.00 0.00 H new ATOM 0 HE ARG A 78 22.783 7.887 6.126 1.00 0.00 H new ATOM 0 HH11 ARG A 78 23.462 6.382 3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 78 25.203 6.292 3.296 1.00 0.00 H new ATOM 0 HH21 ARG A 78 25.020 7.768 6.492 1.00 0.00 H new ATOM 0 HH22 ARG A 78 26.081 7.074 5.262 1.00 0.00 H new ATOM 1246 N MET A 79 22.803 9.802 0.930 1.00 0.00 N ATOM 1247 CA MET A 79 24.047 9.590 0.200 1.00 0.00 C ATOM 1248 C MET A 79 24.334 10.761 -0.736 1.00 0.00 C ATOM 1249 O MET A 79 25.428 11.323 -0.723 1.00 0.00 O ATOM 1250 CB MET A 79 23.979 8.288 -0.600 1.00 0.00 C ATOM 1251 CG MET A 79 24.005 7.040 0.268 1.00 0.00 C ATOM 1252 SD MET A 79 24.150 5.525 -0.699 1.00 0.00 S ATOM 1253 CE MET A 79 22.867 5.780 -1.923 1.00 0.00 C ATOM 0 H MET A 79 21.997 9.311 0.542 1.00 0.00 H new ATOM 0 HA MET A 79 24.857 9.520 0.926 1.00 0.00 H new ATOM 0 HB2 MET A 79 23.068 8.286 -1.198 1.00 0.00 H new ATOM 0 HB3 MET A 79 24.817 8.254 -1.296 1.00 0.00 H new ATOM 0 HG2 MET A 79 24.841 7.104 0.964 1.00 0.00 H new ATOM 0 HG3 MET A 79 23.095 6.999 0.866 1.00 0.00 H new ATOM 0 HE1 MET A 79 22.796 4.902 -2.564 1.00 0.00 H new ATOM 0 HE2 MET A 79 21.913 5.941 -1.422 1.00 0.00 H new ATOM 0 HE3 MET A 79 23.110 6.653 -2.529 1.00 0.00 H new ATOM 1263 N ASN A 80 23.344 11.121 -1.546 1.00 0.00 N ATOM 1264 CA ASN A 80 23.491 12.224 -2.489 1.00 0.00 C ATOM 1265 C ASN A 80 23.448 13.567 -1.766 1.00 0.00 C ATOM 1266 O ASN A 80 24.442 14.292 -1.720 1.00 0.00 O ATOM 1267 CB ASN A 80 22.390 12.167 -3.549 1.00 0.00 C ATOM 1268 CG ASN A 80 22.619 11.061 -4.561 1.00 0.00 C ATOM 1269 OD1 ASN A 80 22.277 9.835 -4.185 1.00 0.00 O flip ATOM 1270 ND2 ASN A 80 23.097 11.308 -5.669 1.00 0.00 N flip ATOM 0 H ASN A 80 22.432 10.665 -1.569 1.00 0.00 H new ATOM 0 HA ASN A 80 24.461 12.125 -2.977 1.00 0.00 H new ATOM 0 HB2 ASN A 80 21.427 12.016 -3.061 1.00 0.00 H new ATOM 0 HB3 ASN A 80 22.338 13.125 -4.067 1.00 0.00 H new ATOM 0 HD21 ASN A 80 23.345 12.266 -5.915 1.00 0.00 H new ATOM 0 HD22 ASN A 80 23.244 10.554 -6.340 1.00 0.00 H new ATOM 1277 N SER A 81 22.289 13.892 -1.202 1.00 0.00 N ATOM 1278 CA SER A 81 22.114 15.149 -0.484 1.00 0.00 C ATOM 1279 C SER A 81 22.849 15.118 0.853 1.00 0.00 C ATOM 1280 O SER A 81 23.312 14.067 1.295 1.00 0.00 O ATOM 1281 CB SER A 81 20.627 15.427 -0.254 1.00 0.00 C ATOM 1282 OG SER A 81 20.369 16.820 -0.215 1.00 0.00 O ATOM 0 H SER A 81 21.457 13.302 -1.228 1.00 0.00 H new ATOM 0 HA SER A 81 22.536 15.948 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 81 20.041 14.967 -1.050 1.00 0.00 H new ATOM 0 HB3 SER A 81 20.309 14.969 0.682 1.00 0.00 H new ATOM 0 HG SER A 81 19.412 16.971 -0.069 1.00 0.00 H new ATOM 1288 N GLY A 82 22.952 16.279 1.492 1.00 0.00 N ATOM 1289 CA GLY A 82 23.632 16.364 2.771 1.00 0.00 C ATOM 1290 C GLY A 82 22.677 16.259 3.944 1.00 0.00 C ATOM 1291 O GLY A 82 21.609 16.871 3.958 1.00 0.00 O ATOM 0 H GLY A 82 22.577 17.162 1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 82 24.374 15.568 2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 82 24.172 17.309 2.830 1.00 0.00 H new ATOM 1295 N PRO A 83 23.059 15.465 4.954 1.00 0.00 N ATOM 1296 CA PRO A 83 22.242 15.261 6.154 1.00 0.00 C ATOM 1297 C PRO A 83 22.177 16.509 7.029 1.00 0.00 C ATOM 1298 O PRO A 83 21.393 16.574 7.976 1.00 0.00 O ATOM 1299 CB PRO A 83 22.966 14.130 6.889 1.00 0.00 C ATOM 1300 CG PRO A 83 24.379 14.222 6.427 1.00 0.00 C ATOM 1301 CD PRO A 83 24.319 14.704 5.004 1.00 0.00 C ATOM 0 HA PRO A 83 21.205 15.032 5.907 1.00 0.00 H new ATOM 0 HB2 PRO A 83 22.894 14.251 7.970 1.00 0.00 H new ATOM 0 HB3 PRO A 83 22.533 13.160 6.647 1.00 0.00 H new ATOM 0 HG2 PRO A 83 24.949 14.912 7.049 1.00 0.00 H new ATOM 0 HG3 PRO A 83 24.874 13.253 6.490 1.00 0.00 H new ATOM 0 HD2 PRO A 83 25.176 15.330 4.755 1.00 0.00 H new ATOM 0 HD3 PRO A 83 24.315 13.873 4.298 1.00 0.00 H new ATOM 1309 N SER A 84 23.006 17.496 6.707 1.00 0.00 N ATOM 1310 CA SER A 84 23.045 18.741 7.466 1.00 0.00 C ATOM 1311 C SER A 84 22.843 19.943 6.549 1.00 0.00 C ATOM 1312 O SER A 84 23.093 19.869 5.346 1.00 0.00 O ATOM 1313 CB SER A 84 24.377 18.869 8.208 1.00 0.00 C ATOM 1314 OG SER A 84 24.297 19.842 9.234 1.00 0.00 O ATOM 0 H SER A 84 23.660 17.458 5.925 1.00 0.00 H new ATOM 0 HA SER A 84 22.233 18.720 8.193 1.00 0.00 H new ATOM 0 HB2 SER A 84 24.652 17.905 8.637 1.00 0.00 H new ATOM 0 HB3 SER A 84 25.164 19.141 7.505 1.00 0.00 H new ATOM 0 HG SER A 84 25.160 19.904 9.694 1.00 0.00 H new ATOM 1320 N SER A 85 22.388 21.050 7.127 1.00 0.00 N ATOM 1321 CA SER A 85 22.148 22.268 6.362 1.00 0.00 C ATOM 1322 C SER A 85 22.951 23.434 6.931 1.00 0.00 C ATOM 1323 O SER A 85 22.954 23.670 8.139 1.00 0.00 O ATOM 1324 CB SER A 85 20.657 22.612 6.365 1.00 0.00 C ATOM 1325 OG SER A 85 19.943 21.794 5.454 1.00 0.00 O ATOM 0 H SER A 85 22.178 21.129 8.122 1.00 0.00 H new ATOM 0 HA SER A 85 22.471 22.093 5.336 1.00 0.00 H new ATOM 0 HB2 SER A 85 20.253 22.482 7.369 1.00 0.00 H new ATOM 0 HB3 SER A 85 20.522 23.661 6.100 1.00 0.00 H new ATOM 0 HG SER A 85 18.993 22.032 5.476 1.00 0.00 H new ATOM 1331 N GLY A 86 23.632 24.161 6.050 1.00 0.00 N ATOM 1332 CA GLY A 86 24.430 25.294 6.483 1.00 0.00 C ATOM 1333 C GLY A 86 25.203 25.007 7.754 1.00 0.00 C ATOM 1334 O GLY A 86 26.092 24.156 7.736 1.00 0.00 O ATOM 0 H GLY A 86 23.645 23.986 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 86 25.128 25.567 5.691 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.778 26.153 6.644 1.00 0.00 H new TER 1338 GLY A 86 HETATM 1339 ZN ZN A 201 -3.179 18.723 -1.805 1.00 0.00 ZN HETATM 1340 ZN ZN A 401 7.521 7.270 -1.571 1.00 0.00 ZN