USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 677 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 31 TYR OH : rot 26:sc= -11.9! USER MOD Set 1.2: A 40 HIS : no HE2:sc= -29.6! C(o=-41!,f=-47!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -1.15 X(o=-1.1,f=-0.77) USER MOD Single : A 11 SER OG : rot -45:sc= 0.00485! USER MOD Single : A 28 GLN : amide:sc= -0.341 K(o=-0.34,f=-3!) USER MOD Single : A 29 TYR OH : rot 149:sc= -12.9! USER MOD Single : A 32 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.0054) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.387 USER MOD Single : A 39 ASN : amide:sc=-0.00768 K(o=-0.0077,f=-1.5) USER MOD Single : A 42 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.005) USER MOD Single : A 45 ASN : amide:sc= -0.0267 X(o=-0.027,f=0) USER MOD Single : A 47 GLN : amide:sc= -9.89! C(o=-9.9!,f=-15!) USER MOD Single : A 48 THR OG1 : rot 99:sc= 0.793 USER MOD Single : A 49 THR OG1 : rot -115:sc= -4.44! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 55 MET CE :methyl 156:sc= -0.992 (180deg=-2.94!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -57:sc= -1.01! USER MOD Single : A 77 GLN : amide:sc= -2.12! C(o=-2.1!,f=-3.5!) USER MOD Single : A 85 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.484) USER MOD Single : A 87 LYS NZ :NH3+ -100:sc= -0.0262 (180deg=-1.58) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 178:sc= 0 (180deg=-0.00331) USER MOD ----------------------------------------------------------------- ATOM 45 N ARG A 4 7.786 -2.742 17.247 1.00 0.00 N ATOM 46 CA ARG A 4 7.661 -1.291 17.198 1.00 0.00 C ATOM 47 C ARG A 4 7.434 -0.827 15.765 1.00 0.00 C ATOM 48 O ARG A 4 6.351 -0.354 15.417 1.00 0.00 O ATOM 49 CB ARG A 4 8.918 -0.634 17.773 1.00 0.00 C ATOM 50 CG ARG A 4 9.130 0.796 17.304 1.00 0.00 C ATOM 51 CD ARG A 4 10.488 1.324 17.734 1.00 0.00 C ATOM 52 NE ARG A 4 10.622 1.370 19.187 1.00 0.00 N ATOM 53 CZ ARG A 4 11.784 1.516 19.815 1.00 0.00 C ATOM 54 NH1 ARG A 4 12.905 1.638 19.118 1.00 0.00 N ATOM 55 NH2 ARG A 4 11.824 1.545 21.139 1.00 0.00 N ATOM 0 HA ARG A 4 6.802 -0.994 17.800 1.00 0.00 H new ATOM 0 HB2 ARG A 4 8.857 -0.645 18.861 1.00 0.00 H new ATOM 0 HB3 ARG A 4 9.788 -1.230 17.496 1.00 0.00 H new ATOM 0 HG2 ARG A 4 9.048 0.840 16.218 1.00 0.00 H new ATOM 0 HG3 ARG A 4 8.345 1.434 17.710 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.272 0.691 17.318 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.635 2.324 17.325 1.00 0.00 H new ATOM 0 HE ARG A 4 9.777 1.285 19.752 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.876 1.620 18.099 1.00 0.00 H new ATOM 0 HH12 ARG A 4 13.796 1.750 19.601 1.00 0.00 H new ATOM 0 HH21 ARG A 4 10.962 1.455 21.677 1.00 0.00 H new ATOM 0 HH22 ARG A 4 12.716 1.657 21.620 1.00 0.00 H new ATOM 69 N ASP A 5 8.459 -0.980 14.933 1.00 0.00 N ATOM 70 CA ASP A 5 8.369 -0.591 13.532 1.00 0.00 C ATOM 71 C ASP A 5 7.495 -1.580 12.774 1.00 0.00 C ATOM 72 O ASP A 5 6.754 -1.208 11.864 1.00 0.00 O ATOM 73 CB ASP A 5 9.762 -0.536 12.901 1.00 0.00 C ATOM 74 CG ASP A 5 10.523 0.717 13.287 1.00 0.00 C ATOM 75 OD1 ASP A 5 10.327 1.207 14.419 1.00 0.00 O ATOM 76 OD2 ASP A 5 11.316 1.209 12.456 1.00 0.00 O ATOM 0 H ASP A 5 9.361 -1.371 15.205 1.00 0.00 H new ATOM 0 HA ASP A 5 7.921 0.401 13.474 1.00 0.00 H new ATOM 0 HB2 ASP A 5 10.332 -1.413 13.208 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.668 -0.581 11.816 1.00 0.00 H new ATOM 81 N LYS A 6 7.588 -2.844 13.169 1.00 0.00 N ATOM 82 CA LYS A 6 6.815 -3.903 12.551 1.00 0.00 C ATOM 83 C LYS A 6 5.337 -3.767 12.900 1.00 0.00 C ATOM 84 O LYS A 6 4.466 -4.117 12.104 1.00 0.00 O ATOM 85 CB LYS A 6 7.343 -5.253 13.025 1.00 0.00 C ATOM 86 CG LYS A 6 7.456 -5.357 14.538 1.00 0.00 C ATOM 87 CD LYS A 6 6.300 -6.144 15.129 1.00 0.00 C ATOM 88 CE LYS A 6 6.445 -7.634 14.865 1.00 0.00 C ATOM 89 NZ LYS A 6 5.283 -8.179 14.112 1.00 0.00 N ATOM 0 H LYS A 6 8.199 -3.158 13.923 1.00 0.00 H new ATOM 0 HA LYS A 6 6.916 -3.830 11.468 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.683 -6.041 12.662 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.323 -5.428 12.581 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.398 -5.838 14.801 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.477 -4.357 14.972 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.250 -5.967 16.203 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.362 -5.788 14.704 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.360 -7.816 14.302 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.544 -8.163 15.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.420 -9.197 13.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.412 -8.029 14.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.204 -7.692 13.196 1.00 0.00 H new ATOM 103 N GLN A 7 5.062 -3.262 14.099 1.00 0.00 N ATOM 104 CA GLN A 7 3.689 -3.087 14.557 1.00 0.00 C ATOM 105 C GLN A 7 2.967 -2.024 13.745 1.00 0.00 C ATOM 106 O GLN A 7 1.808 -2.196 13.368 1.00 0.00 O ATOM 107 CB GLN A 7 3.660 -2.726 16.044 1.00 0.00 C ATOM 108 CG GLN A 7 3.598 -3.936 16.961 1.00 0.00 C ATOM 109 CD GLN A 7 2.384 -3.921 17.868 1.00 0.00 C ATOM 110 OE1 GLN A 7 2.504 -3.760 19.083 1.00 0.00 O ATOM 111 NE2 GLN A 7 1.204 -4.092 17.282 1.00 0.00 N ATOM 0 H GLN A 7 5.772 -2.967 14.770 1.00 0.00 H new ATOM 0 HA GLN A 7 3.169 -4.034 14.414 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.548 -2.142 16.285 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.797 -2.088 16.238 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.584 -4.844 16.358 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.501 -3.972 17.570 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.150 -4.222 16.272 1.00 0.00 H new ATOM 0 HE22 GLN A 7 0.352 -4.093 17.842 1.00 0.00 H new ATOM 120 N VAL A 8 3.663 -0.940 13.463 1.00 0.00 N ATOM 121 CA VAL A 8 3.102 0.138 12.679 1.00 0.00 C ATOM 122 C VAL A 8 2.833 -0.347 11.277 1.00 0.00 C ATOM 123 O VAL A 8 1.746 -0.160 10.731 1.00 0.00 O ATOM 124 CB VAL A 8 4.051 1.338 12.617 1.00 0.00 C ATOM 125 CG1 VAL A 8 3.268 2.599 12.343 1.00 0.00 C ATOM 126 CG2 VAL A 8 4.842 1.459 13.906 1.00 0.00 C ATOM 0 H VAL A 8 4.624 -0.784 13.768 1.00 0.00 H new ATOM 0 HA VAL A 8 2.175 0.455 13.158 1.00 0.00 H new ATOM 0 HB VAL A 8 4.760 1.187 11.803 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.950 3.448 12.300 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.747 2.504 11.391 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.541 2.757 13.140 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.511 2.317 13.843 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.156 1.594 14.742 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.428 0.553 14.060 1.00 0.00 H new ATOM 136 N LEU A 9 3.832 -0.999 10.709 1.00 0.00 N ATOM 137 CA LEU A 9 3.711 -1.548 9.381 1.00 0.00 C ATOM 138 C LEU A 9 2.349 -2.194 9.222 1.00 0.00 C ATOM 139 O LEU A 9 1.473 -1.661 8.553 1.00 0.00 O ATOM 140 CB LEU A 9 4.804 -2.585 9.151 1.00 0.00 C ATOM 141 CG LEU A 9 5.983 -2.107 8.313 1.00 0.00 C ATOM 142 CD1 LEU A 9 5.565 -1.915 6.864 1.00 0.00 C ATOM 143 CD2 LEU A 9 6.550 -0.817 8.880 1.00 0.00 C ATOM 0 H LEU A 9 4.736 -1.159 11.153 1.00 0.00 H new ATOM 0 HA LEU A 9 3.818 -0.748 8.648 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.178 -2.917 10.120 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.362 -3.455 8.665 1.00 0.00 H new ATOM 0 HG LEU A 9 6.761 -2.869 8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.420 -1.573 6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.206 -2.862 6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.769 -1.172 6.810 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.391 -0.490 8.269 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.778 -0.048 8.876 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.888 -0.987 9.902 1.00 0.00 H new ATOM 155 N ARG A 10 2.188 -3.344 9.864 1.00 0.00 N ATOM 156 CA ARG A 10 0.937 -4.094 9.819 1.00 0.00 C ATOM 157 C ARG A 10 -0.285 -3.173 9.909 1.00 0.00 C ATOM 158 O ARG A 10 -1.189 -3.245 9.073 1.00 0.00 O ATOM 159 CB ARG A 10 0.922 -5.145 10.944 1.00 0.00 C ATOM 160 CG ARG A 10 -0.205 -4.983 11.956 1.00 0.00 C ATOM 161 CD ARG A 10 -0.418 -6.254 12.761 1.00 0.00 C ATOM 162 NE ARG A 10 -1.802 -6.397 13.203 1.00 0.00 N ATOM 163 CZ ARG A 10 -2.354 -5.647 14.152 1.00 0.00 C ATOM 164 NH1 ARG A 10 -1.643 -4.700 14.748 1.00 0.00 N ATOM 165 NH2 ARG A 10 -3.617 -5.843 14.503 1.00 0.00 N ATOM 0 H ARG A 10 2.916 -3.782 10.428 1.00 0.00 H new ATOM 0 HA ARG A 10 0.878 -4.601 8.856 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.849 -6.136 10.495 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.874 -5.104 11.473 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.026 -4.158 12.630 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.127 -4.721 11.437 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.140 -7.117 12.156 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.241 -6.248 13.629 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.378 -7.112 12.759 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.671 -4.546 14.479 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.068 -4.125 15.476 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.167 -6.570 14.045 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.039 -5.267 15.231 1.00 0.00 H new ATOM 179 N SER A 11 -0.319 -2.323 10.931 1.00 0.00 N ATOM 180 CA SER A 11 -1.446 -1.413 11.120 1.00 0.00 C ATOM 181 C SER A 11 -1.732 -0.613 9.851 1.00 0.00 C ATOM 182 O SER A 11 -2.613 -0.966 9.061 1.00 0.00 O ATOM 183 CB SER A 11 -1.171 -0.462 12.287 1.00 0.00 C ATOM 184 OG SER A 11 -0.136 0.452 11.968 1.00 0.00 O ATOM 0 H SER A 11 0.414 -2.245 11.636 1.00 0.00 H new ATOM 0 HA SER A 11 -2.326 -2.015 11.348 1.00 0.00 H new ATOM 0 HB2 SER A 11 -2.080 0.086 12.536 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.893 -1.037 13.171 1.00 0.00 H new ATOM 0 HG SER A 11 0.606 -0.029 11.545 1.00 0.00 H new ATOM 190 N LEU A 12 -0.988 0.471 9.661 1.00 0.00 N ATOM 191 CA LEU A 12 -1.169 1.316 8.495 1.00 0.00 C ATOM 192 C LEU A 12 -0.960 0.533 7.206 1.00 0.00 C ATOM 193 O LEU A 12 -1.319 1.000 6.127 1.00 0.00 O ATOM 194 CB LEU A 12 -0.212 2.504 8.547 1.00 0.00 C ATOM 195 CG LEU A 12 -0.878 3.837 8.878 1.00 0.00 C ATOM 196 CD1 LEU A 12 -1.430 4.480 7.618 1.00 0.00 C ATOM 197 CD2 LEU A 12 -1.983 3.633 9.902 1.00 0.00 C ATOM 0 H LEU A 12 -0.256 0.782 10.300 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.195 1.683 8.506 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.558 2.302 9.291 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.291 2.592 7.584 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.130 4.505 9.305 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.902 5.430 7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.617 4.655 6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.168 3.818 7.165 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.450 4.591 10.129 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.732 2.951 9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.561 3.210 10.813 1.00 0.00 H new ATOM 209 N ARG A 13 -0.383 -0.661 7.317 1.00 0.00 N ATOM 210 CA ARG A 13 -0.142 -1.489 6.143 1.00 0.00 C ATOM 211 C ARG A 13 -1.442 -1.721 5.384 1.00 0.00 C ATOM 212 O ARG A 13 -1.535 -1.443 4.190 1.00 0.00 O ATOM 213 CB ARG A 13 0.488 -2.828 6.553 1.00 0.00 C ATOM 214 CG ARG A 13 0.029 -4.012 5.723 1.00 0.00 C ATOM 215 CD ARG A 13 0.885 -5.241 5.980 1.00 0.00 C ATOM 216 NE ARG A 13 0.275 -6.137 6.958 1.00 0.00 N ATOM 217 CZ ARG A 13 0.750 -7.345 7.248 1.00 0.00 C ATOM 218 NH1 ARG A 13 1.835 -7.797 6.634 1.00 0.00 N ATOM 219 NH2 ARG A 13 0.140 -8.101 8.150 1.00 0.00 N ATOM 0 H ARG A 13 -0.077 -1.072 8.199 1.00 0.00 H new ATOM 0 HA ARG A 13 0.554 -0.968 5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.572 -2.745 6.478 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.255 -3.021 7.600 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.012 -4.238 5.955 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.071 -3.753 4.665 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.040 -5.777 5.044 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.867 -4.931 6.336 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.562 -5.819 7.446 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.306 -7.218 5.939 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.199 -8.724 6.857 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.695 -7.757 8.623 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.506 -9.027 8.371 1.00 0.00 H new ATOM 233 N LEU A 14 -2.441 -2.236 6.087 1.00 0.00 N ATOM 234 CA LEU A 14 -3.735 -2.513 5.485 1.00 0.00 C ATOM 235 C LEU A 14 -4.518 -1.225 5.238 1.00 0.00 C ATOM 236 O LEU A 14 -5.275 -1.128 4.272 1.00 0.00 O ATOM 237 CB LEU A 14 -4.539 -3.438 6.393 1.00 0.00 C ATOM 238 CG LEU A 14 -5.239 -2.732 7.550 1.00 0.00 C ATOM 239 CD1 LEU A 14 -6.749 -2.865 7.425 1.00 0.00 C ATOM 240 CD2 LEU A 14 -4.757 -3.286 8.883 1.00 0.00 C ATOM 0 H LEU A 14 -2.378 -2.471 7.078 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.565 -2.998 4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.287 -3.956 5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.872 -4.199 6.798 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.987 -1.672 7.509 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.230 -2.355 8.260 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.077 -2.416 6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.024 -3.920 7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.267 -2.771 9.697 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.977 -4.352 8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.682 -3.132 8.974 1.00 0.00 H new ATOM 252 N GLU A 15 -4.342 -0.240 6.118 1.00 0.00 N ATOM 253 CA GLU A 15 -5.048 1.029 5.982 1.00 0.00 C ATOM 254 C GLU A 15 -4.750 1.662 4.632 1.00 0.00 C ATOM 255 O GLU A 15 -5.554 1.579 3.703 1.00 0.00 O ATOM 256 CB GLU A 15 -4.656 1.986 7.109 1.00 0.00 C ATOM 257 CG GLU A 15 -5.630 1.980 8.277 1.00 0.00 C ATOM 258 CD GLU A 15 -4.970 2.355 9.590 1.00 0.00 C ATOM 259 OE1 GLU A 15 -3.916 1.767 9.915 1.00 0.00 O ATOM 260 OE2 GLU A 15 -5.507 3.235 10.295 1.00 0.00 O ATOM 0 H GLU A 15 -3.722 -0.297 6.926 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.118 0.833 6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.664 1.719 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.588 2.997 6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.442 2.677 8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.075 0.989 8.369 1.00 0.00 H new ATOM 267 N LEU A 16 -3.584 2.286 4.526 1.00 0.00 N ATOM 268 CA LEU A 16 -3.175 2.923 3.284 1.00 0.00 C ATOM 269 C LEU A 16 -2.908 1.878 2.212 1.00 0.00 C ATOM 270 O LEU A 16 -2.790 2.202 1.030 1.00 0.00 O ATOM 271 CB LEU A 16 -1.921 3.765 3.506 1.00 0.00 C ATOM 272 CG LEU A 16 -0.800 3.071 4.281 1.00 0.00 C ATOM 273 CD1 LEU A 16 -0.486 1.713 3.672 1.00 0.00 C ATOM 274 CD2 LEU A 16 0.445 3.945 4.307 1.00 0.00 C ATOM 0 H LEU A 16 -2.907 2.364 5.285 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.985 3.572 2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.533 4.073 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.202 4.673 4.040 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.136 2.915 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.314 1.236 4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.377 1.085 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.170 1.843 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.234 3.438 4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.781 4.131 3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.213 4.894 4.791 1.00 0.00 H new ATOM 286 N GLY A 17 -2.808 0.621 2.630 1.00 0.00 N ATOM 287 CA GLY A 17 -2.550 -0.449 1.683 1.00 0.00 C ATOM 288 C GLY A 17 -3.825 -1.057 1.132 1.00 0.00 C ATOM 289 O GLY A 17 -3.796 -1.779 0.137 1.00 0.00 O ATOM 0 H GLY A 17 -2.900 0.324 3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.950 -0.064 0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.961 -1.227 2.170 1.00 0.00 H new ATOM 293 N ALA A 18 -4.946 -0.764 1.784 1.00 0.00 N ATOM 294 CA ALA A 18 -6.237 -1.286 1.356 1.00 0.00 C ATOM 295 C ALA A 18 -6.477 -1.011 -0.124 1.00 0.00 C ATOM 296 O ALA A 18 -6.580 -1.937 -0.929 1.00 0.00 O ATOM 297 CB ALA A 18 -7.353 -0.684 2.197 1.00 0.00 C ATOM 0 H ALA A 18 -4.985 -0.168 2.611 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.232 -2.366 1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.313 -1.082 1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.196 -0.938 3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.351 0.400 2.082 1.00 0.00 H new ATOM 410 N VAL A 26 9.299 6.353 -3.801 1.00 0.00 N ATOM 411 CA VAL A 26 9.764 5.866 -2.507 1.00 0.00 C ATOM 412 C VAL A 26 10.636 4.627 -2.669 1.00 0.00 C ATOM 413 O VAL A 26 11.617 4.445 -1.948 1.00 0.00 O ATOM 414 CB VAL A 26 8.582 5.531 -1.583 1.00 0.00 C ATOM 415 CG1 VAL A 26 7.584 6.676 -1.574 1.00 0.00 C ATOM 416 CG2 VAL A 26 7.915 4.235 -2.018 1.00 0.00 C ATOM 0 HA VAL A 26 10.354 6.665 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 26 8.958 5.393 -0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.751 6.428 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.073 7.582 -1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.211 6.842 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.081 4.014 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.547 4.340 -3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.639 3.421 -1.975 1.00 0.00 H new ATOM 426 N LEU A 27 10.273 3.784 -3.629 1.00 0.00 N ATOM 427 CA LEU A 27 11.020 2.562 -3.905 1.00 0.00 C ATOM 428 C LEU A 27 12.460 2.871 -4.292 1.00 0.00 C ATOM 429 O LEU A 27 13.301 1.973 -4.358 1.00 0.00 O ATOM 430 CB LEU A 27 10.348 1.780 -5.036 1.00 0.00 C ATOM 431 CG LEU A 27 9.914 0.365 -4.671 1.00 0.00 C ATOM 432 CD1 LEU A 27 11.048 -0.358 -3.965 1.00 0.00 C ATOM 433 CD2 LEU A 27 8.668 0.398 -3.798 1.00 0.00 C ATOM 0 H LEU A 27 9.462 3.925 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 27 11.026 1.962 -2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.473 2.337 -5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.036 1.727 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 27 9.671 -0.177 -5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.731 -1.368 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.915 -0.407 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.314 0.182 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.372 -0.621 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.880 0.950 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.858 0.888 -4.338 1.00 0.00 H new ATOM 445 N GLN A 28 12.735 4.139 -4.564 1.00 0.00 N ATOM 446 CA GLN A 28 14.068 4.555 -4.969 1.00 0.00 C ATOM 447 C GLN A 28 14.931 4.935 -3.772 1.00 0.00 C ATOM 448 O GLN A 28 15.995 4.359 -3.562 1.00 0.00 O ATOM 449 CB GLN A 28 13.971 5.726 -5.946 1.00 0.00 C ATOM 450 CG GLN A 28 13.331 5.357 -7.276 1.00 0.00 C ATOM 451 CD GLN A 28 14.289 5.484 -8.445 1.00 0.00 C ATOM 452 OE1 GLN A 28 15.425 5.932 -8.286 1.00 0.00 O ATOM 453 NE2 GLN A 28 13.834 5.090 -9.629 1.00 0.00 N ATOM 0 H GLN A 28 12.053 4.896 -4.511 1.00 0.00 H new ATOM 0 HA GLN A 28 14.548 3.709 -5.461 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.394 6.527 -5.484 1.00 0.00 H new ATOM 0 HB3 GLN A 28 14.971 6.119 -6.130 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.962 4.333 -7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.467 5.999 -7.449 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.885 4.725 -9.715 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.433 5.153 -10.452 1.00 0.00 H new ATOM 462 N TYR A 29 14.464 5.893 -2.980 1.00 0.00 N ATOM 463 CA TYR A 29 15.204 6.322 -1.801 1.00 0.00 C ATOM 464 C TYR A 29 15.398 5.130 -0.894 1.00 0.00 C ATOM 465 O TYR A 29 16.399 5.000 -0.194 1.00 0.00 O ATOM 466 CB TYR A 29 14.434 7.435 -1.065 1.00 0.00 C ATOM 467 CG TYR A 29 14.419 7.304 0.453 1.00 0.00 C ATOM 468 CD1 TYR A 29 13.772 6.245 1.083 1.00 0.00 C ATOM 469 CD2 TYR A 29 15.053 8.243 1.251 1.00 0.00 C ATOM 470 CE1 TYR A 29 13.764 6.131 2.458 1.00 0.00 C ATOM 471 CE2 TYR A 29 15.048 8.136 2.627 1.00 0.00 C ATOM 472 CZ TYR A 29 14.403 7.078 3.225 1.00 0.00 C ATOM 473 OH TYR A 29 14.398 6.965 4.595 1.00 0.00 O ATOM 0 H TYR A 29 13.583 6.384 -3.132 1.00 0.00 H new ATOM 0 HA TYR A 29 16.174 6.721 -2.098 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.874 8.397 -1.328 1.00 0.00 H new ATOM 0 HB3 TYR A 29 13.405 7.445 -1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 29 13.268 5.500 0.486 1.00 0.00 H new ATOM 0 HD2 TYR A 29 15.561 9.075 0.787 1.00 0.00 H new ATOM 0 HE1 TYR A 29 13.258 5.302 2.930 1.00 0.00 H new ATOM 0 HE2 TYR A 29 15.548 8.879 3.231 1.00 0.00 H new ATOM 0 HH TYR A 29 15.224 7.348 4.958 1.00 0.00 H new ATOM 483 N LEU A 30 14.397 4.280 -0.918 1.00 0.00 N ATOM 484 CA LEU A 30 14.360 3.084 -0.113 1.00 0.00 C ATOM 485 C LEU A 30 15.382 2.062 -0.537 1.00 0.00 C ATOM 486 O LEU A 30 16.431 1.906 0.081 1.00 0.00 O ATOM 487 CB LEU A 30 12.994 2.460 -0.252 1.00 0.00 C ATOM 488 CG LEU A 30 11.886 3.219 0.435 1.00 0.00 C ATOM 489 CD1 LEU A 30 10.551 2.902 -0.195 1.00 0.00 C ATOM 490 CD2 LEU A 30 11.891 2.888 1.905 1.00 0.00 C ATOM 0 H LEU A 30 13.574 4.404 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 30 14.582 3.374 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.755 2.373 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.028 1.448 0.151 1.00 0.00 H new ATOM 0 HG LEU A 30 12.054 4.289 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.766 3.460 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.570 3.183 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.352 1.834 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.091 3.435 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.736 1.817 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.850 3.172 2.339 1.00 0.00 H new ATOM 502 N TYR A 31 15.038 1.347 -1.591 1.00 0.00 N ATOM 503 CA TYR A 31 15.895 0.299 -2.107 1.00 0.00 C ATOM 504 C TYR A 31 17.303 0.826 -2.349 1.00 0.00 C ATOM 505 O TYR A 31 18.260 0.056 -2.421 1.00 0.00 O ATOM 506 CB TYR A 31 15.279 -0.325 -3.362 1.00 0.00 C ATOM 507 CG TYR A 31 14.138 -1.272 -3.036 1.00 0.00 C ATOM 508 CD1 TYR A 31 13.128 -0.893 -2.153 1.00 0.00 C ATOM 509 CD2 TYR A 31 14.078 -2.552 -3.581 1.00 0.00 C ATOM 510 CE1 TYR A 31 12.106 -1.752 -1.827 1.00 0.00 C ATOM 511 CE2 TYR A 31 13.051 -3.412 -3.259 1.00 0.00 C ATOM 512 CZ TYR A 31 12.067 -3.001 -2.378 1.00 0.00 C ATOM 513 OH TYR A 31 11.040 -3.848 -2.038 1.00 0.00 O ATOM 0 H TYR A 31 14.168 1.474 -2.108 1.00 0.00 H new ATOM 0 HA TYR A 31 15.978 -0.493 -1.362 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.915 0.467 -4.017 1.00 0.00 H new ATOM 0 HB3 TYR A 31 16.050 -0.865 -3.912 1.00 0.00 H new ATOM 0 HD1 TYR A 31 13.149 0.095 -1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 31 14.848 -2.875 -4.266 1.00 0.00 H new ATOM 0 HE1 TYR A 31 11.336 -1.440 -1.137 1.00 0.00 H new ATOM 0 HE2 TYR A 31 13.014 -4.401 -3.692 1.00 0.00 H new ATOM 0 HH TYR A 31 10.258 -3.322 -1.768 1.00 0.00 H new ATOM 523 N GLN A 32 17.436 2.148 -2.424 1.00 0.00 N ATOM 524 CA GLN A 32 18.744 2.760 -2.597 1.00 0.00 C ATOM 525 C GLN A 32 19.351 3.059 -1.234 1.00 0.00 C ATOM 526 O GLN A 32 20.561 2.939 -1.041 1.00 0.00 O ATOM 527 CB GLN A 32 18.659 4.039 -3.432 1.00 0.00 C ATOM 528 CG GLN A 32 18.239 3.799 -4.874 1.00 0.00 C ATOM 529 CD GLN A 32 19.373 3.268 -5.730 1.00 0.00 C ATOM 530 OE1 GLN A 32 19.250 2.218 -6.361 1.00 0.00 O ATOM 531 NE2 GLN A 32 20.488 3.991 -5.756 1.00 0.00 N ATOM 0 H GLN A 32 16.660 2.808 -2.368 1.00 0.00 H new ATOM 0 HA GLN A 32 19.382 2.058 -3.135 1.00 0.00 H new ATOM 0 HB2 GLN A 32 17.949 4.721 -2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 32 19.630 4.534 -3.423 1.00 0.00 H new ATOM 0 HG2 GLN A 32 17.411 3.091 -4.894 1.00 0.00 H new ATOM 0 HG3 GLN A 32 17.872 4.732 -5.302 1.00 0.00 H new ATOM 0 HE21 GLN A 32 20.548 4.856 -5.218 1.00 0.00 H new ATOM 0 HE22 GLN A 32 21.284 3.681 -6.314 1.00 0.00 H new ATOM 540 N GLU A 33 18.498 3.426 -0.280 1.00 0.00 N ATOM 541 CA GLU A 33 18.952 3.712 1.072 1.00 0.00 C ATOM 542 C GLU A 33 19.334 2.415 1.767 1.00 0.00 C ATOM 543 O GLU A 33 20.266 2.379 2.571 1.00 0.00 O ATOM 544 CB GLU A 33 17.864 4.429 1.876 1.00 0.00 C ATOM 545 CG GLU A 33 17.860 5.939 1.691 1.00 0.00 C ATOM 546 CD GLU A 33 18.288 6.679 2.943 1.00 0.00 C ATOM 547 OE1 GLU A 33 18.777 6.019 3.884 1.00 0.00 O ATOM 548 OE2 GLU A 33 18.135 7.917 2.982 1.00 0.00 O ATOM 0 H GLU A 33 17.493 3.531 -0.421 1.00 0.00 H new ATOM 0 HA GLU A 33 19.821 4.367 1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.891 4.034 1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.997 4.202 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.528 6.203 0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 33 16.860 6.264 1.405 1.00 0.00 H new ATOM 555 N GLY A 34 18.609 1.345 1.446 1.00 0.00 N ATOM 556 CA GLY A 34 18.897 0.058 2.048 1.00 0.00 C ATOM 557 C GLY A 34 17.659 -0.622 2.574 1.00 0.00 C ATOM 558 O GLY A 34 17.641 -1.841 2.748 1.00 0.00 O ATOM 0 H GLY A 34 17.833 1.348 0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 34 19.376 -0.586 1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.608 0.192 2.863 1.00 0.00 H new ATOM 562 N ILE A 35 16.615 0.166 2.803 1.00 0.00 N ATOM 563 CA ILE A 35 15.349 -0.355 3.283 1.00 0.00 C ATOM 564 C ILE A 35 15.104 -1.740 2.749 1.00 0.00 C ATOM 565 O ILE A 35 14.720 -2.663 3.467 1.00 0.00 O ATOM 566 CB ILE A 35 14.214 0.520 2.762 1.00 0.00 C ATOM 567 CG1 ILE A 35 14.332 1.919 3.351 1.00 0.00 C ATOM 568 CG2 ILE A 35 12.862 -0.121 3.052 1.00 0.00 C ATOM 569 CD1 ILE A 35 13.266 2.255 4.368 1.00 0.00 C ATOM 0 H ILE A 35 16.625 1.176 2.661 1.00 0.00 H new ATOM 0 HA ILE A 35 15.386 -0.368 4.372 1.00 0.00 H new ATOM 0 HB ILE A 35 14.291 0.609 1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 35 15.311 2.022 3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 35 14.288 2.647 2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.066 0.520 2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.808 -1.094 2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.743 -0.248 4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.422 3.268 4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 35 12.283 2.187 3.901 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.322 1.553 5.200 1.00 0.00 H new ATOM 581 N LEU A 36 15.295 -1.837 1.455 1.00 0.00 N ATOM 582 CA LEU A 36 15.069 -3.065 0.732 1.00 0.00 C ATOM 583 C LEU A 36 16.160 -4.094 0.964 1.00 0.00 C ATOM 584 O LEU A 36 17.218 -3.797 1.520 1.00 0.00 O ATOM 585 CB LEU A 36 14.928 -2.736 -0.748 1.00 0.00 C ATOM 586 CG LEU A 36 16.174 -2.969 -1.585 1.00 0.00 C ATOM 587 CD1 LEU A 36 17.380 -2.397 -0.867 1.00 0.00 C ATOM 588 CD2 LEU A 36 16.324 -4.452 -1.876 1.00 0.00 C ATOM 0 H LEU A 36 15.613 -1.063 0.872 1.00 0.00 H new ATOM 0 HA LEU A 36 14.152 -3.521 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.116 -3.334 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 36 14.635 -1.691 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 36 16.089 -2.456 -2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 36 18.274 -2.564 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 36 17.239 -1.327 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 36 17.495 -2.888 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 36 17.219 -4.616 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 36 16.411 -5.000 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.450 -4.806 -2.423 1.00 0.00 H new ATOM 600 N THR A 37 15.886 -5.303 0.505 1.00 0.00 N ATOM 601 CA THR A 37 16.817 -6.400 0.617 1.00 0.00 C ATOM 602 C THR A 37 16.370 -7.570 -0.257 1.00 0.00 C ATOM 603 O THR A 37 15.319 -7.509 -0.890 1.00 0.00 O ATOM 604 CB THR A 37 16.956 -6.841 2.078 1.00 0.00 C ATOM 605 OG1 THR A 37 16.622 -8.210 2.222 1.00 0.00 O ATOM 606 CG2 THR A 37 16.078 -6.051 3.030 1.00 0.00 C ATOM 0 H THR A 37 15.009 -5.547 0.044 1.00 0.00 H new ATOM 0 HA THR A 37 17.792 -6.062 0.267 1.00 0.00 H new ATOM 0 HB THR A 37 17.999 -6.659 2.336 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.718 -8.473 3.161 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.225 -6.414 4.047 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.345 -4.995 2.980 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.032 -6.175 2.748 1.00 0.00 H new ATOM 614 N GLU A 38 17.176 -8.626 -0.296 1.00 0.00 N ATOM 615 CA GLU A 38 16.862 -9.806 -1.102 1.00 0.00 C ATOM 616 C GLU A 38 15.355 -10.036 -1.196 1.00 0.00 C ATOM 617 O GLU A 38 14.767 -9.960 -2.278 1.00 0.00 O ATOM 618 CB GLU A 38 17.537 -11.044 -0.509 1.00 0.00 C ATOM 619 CG GLU A 38 18.304 -11.868 -1.531 1.00 0.00 C ATOM 620 CD GLU A 38 19.733 -12.138 -1.106 1.00 0.00 C ATOM 621 OE1 GLU A 38 20.122 -11.683 -0.009 1.00 0.00 O ATOM 622 OE2 GLU A 38 20.465 -12.803 -1.869 1.00 0.00 O ATOM 0 H GLU A 38 18.053 -8.691 0.221 1.00 0.00 H new ATOM 0 HA GLU A 38 17.242 -9.630 -2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.221 -10.732 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.778 -11.673 -0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.790 -12.816 -1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 38 18.306 -11.345 -2.487 1.00 0.00 H new ATOM 629 N ASN A 39 14.739 -10.325 -0.055 1.00 0.00 N ATOM 630 CA ASN A 39 13.304 -10.577 0.002 1.00 0.00 C ATOM 631 C ASN A 39 12.522 -9.535 -0.792 1.00 0.00 C ATOM 632 O ASN A 39 11.458 -9.831 -1.338 1.00 0.00 O ATOM 633 CB ASN A 39 12.823 -10.582 1.454 1.00 0.00 C ATOM 634 CG ASN A 39 13.333 -11.778 2.233 1.00 0.00 C ATOM 635 OD1 ASN A 39 14.196 -12.519 1.763 1.00 0.00 O ATOM 636 ND2 ASN A 39 12.799 -11.972 3.434 1.00 0.00 N ATOM 0 H ASN A 39 15.213 -10.391 0.846 1.00 0.00 H new ATOM 0 HA ASN A 39 13.124 -11.555 -0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 39 13.152 -9.666 1.945 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.733 -10.579 1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 39 13.102 -12.760 4.006 1.00 0.00 H new ATOM 0 HD22 ASN A 39 12.086 -11.332 3.784 1.00 0.00 H new ATOM 643 N HIS A 40 13.042 -8.312 -0.846 1.00 0.00 N ATOM 644 CA HIS A 40 12.369 -7.239 -1.566 1.00 0.00 C ATOM 645 C HIS A 40 12.415 -7.457 -3.071 1.00 0.00 C ATOM 646 O HIS A 40 11.414 -7.837 -3.676 1.00 0.00 O ATOM 647 CB HIS A 40 13.005 -5.891 -1.238 1.00 0.00 C ATOM 648 CG HIS A 40 12.813 -5.420 0.176 1.00 0.00 C ATOM 649 ND1 HIS A 40 12.203 -4.227 0.509 1.00 0.00 N ATOM 650 CD2 HIS A 40 13.155 -5.997 1.344 1.00 0.00 C ATOM 651 CE1 HIS A 40 12.180 -4.098 1.829 1.00 0.00 C ATOM 652 NE2 HIS A 40 12.752 -5.161 2.355 1.00 0.00 N ATOM 0 H HIS A 40 13.920 -8.042 -0.403 1.00 0.00 H new ATOM 0 HA HIS A 40 11.327 -7.243 -1.245 1.00 0.00 H new ATOM 0 HB2 HIS A 40 14.074 -5.953 -1.441 1.00 0.00 H new ATOM 0 HB3 HIS A 40 12.595 -5.140 -1.913 1.00 0.00 H new ATOM 0 HD1 HIS A 40 11.828 -3.550 -0.156 1.00 0.00 H new ATOM 0 HD2 HIS A 40 13.656 -6.946 1.463 1.00 0.00 H new ATOM 0 HE1 HIS A 40 11.764 -3.266 2.377 1.00 0.00 H new ATOM 661 N ILE A 41 13.583 -7.205 -3.663 1.00 0.00 N ATOM 662 CA ILE A 41 13.789 -7.359 -5.093 1.00 0.00 C ATOM 663 C ILE A 41 12.829 -8.381 -5.678 1.00 0.00 C ATOM 664 O ILE A 41 12.256 -8.184 -6.750 1.00 0.00 O ATOM 665 CB ILE A 41 15.251 -7.781 -5.357 1.00 0.00 C ATOM 666 CG1 ILE A 41 16.015 -6.634 -6.000 1.00 0.00 C ATOM 667 CG2 ILE A 41 15.340 -9.029 -6.221 1.00 0.00 C ATOM 668 CD1 ILE A 41 16.339 -5.513 -5.039 1.00 0.00 C ATOM 0 H ILE A 41 14.411 -6.888 -3.158 1.00 0.00 H new ATOM 0 HA ILE A 41 13.592 -6.404 -5.580 1.00 0.00 H new ATOM 0 HB ILE A 41 15.703 -8.023 -4.395 1.00 0.00 H new ATOM 0 HG12 ILE A 41 16.943 -7.018 -6.424 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.428 -6.235 -6.827 1.00 0.00 H new ATOM 0 HG21 ILE A 41 16.387 -9.288 -6.380 1.00 0.00 H new ATOM 0 HG22 ILE A 41 14.834 -9.855 -5.721 1.00 0.00 H new ATOM 0 HG23 ILE A 41 14.863 -8.840 -7.183 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.884 -4.729 -5.565 1.00 0.00 H new ATOM 0 HD12 ILE A 41 15.414 -5.103 -4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 41 16.953 -5.898 -4.225 1.00 0.00 H new ATOM 680 N GLN A 42 12.667 -9.470 -4.954 1.00 0.00 N ATOM 681 CA GLN A 42 11.778 -10.539 -5.384 1.00 0.00 C ATOM 682 C GLN A 42 10.336 -10.050 -5.421 1.00 0.00 C ATOM 683 O GLN A 42 9.685 -10.068 -6.469 1.00 0.00 O ATOM 684 CB GLN A 42 11.903 -11.745 -4.452 1.00 0.00 C ATOM 685 CG GLN A 42 12.478 -12.976 -5.130 1.00 0.00 C ATOM 686 CD GLN A 42 11.844 -14.263 -4.640 1.00 0.00 C ATOM 687 OE1 GLN A 42 12.526 -15.145 -4.119 1.00 0.00 O ATOM 688 NE2 GLN A 42 10.532 -14.376 -4.808 1.00 0.00 N ATOM 0 H GLN A 42 13.137 -9.641 -4.065 1.00 0.00 H new ATOM 0 HA GLN A 42 12.068 -10.844 -6.389 1.00 0.00 H new ATOM 0 HB2 GLN A 42 12.536 -11.477 -3.606 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.919 -11.987 -4.050 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.335 -12.893 -6.207 1.00 0.00 H new ATOM 0 HG3 GLN A 42 13.553 -13.015 -4.953 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.007 -13.619 -5.245 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.049 -15.220 -4.500 1.00 0.00 H new ATOM 697 N GLU A 43 9.841 -9.607 -4.272 1.00 0.00 N ATOM 698 CA GLU A 43 8.478 -9.115 -4.178 1.00 0.00 C ATOM 699 C GLU A 43 8.275 -7.886 -5.065 1.00 0.00 C ATOM 700 O GLU A 43 7.214 -7.720 -5.670 1.00 0.00 O ATOM 701 CB GLU A 43 8.135 -8.793 -2.725 1.00 0.00 C ATOM 702 CG GLU A 43 7.834 -10.023 -1.884 1.00 0.00 C ATOM 703 CD GLU A 43 6.364 -10.397 -1.905 1.00 0.00 C ATOM 704 OE1 GLU A 43 5.536 -9.532 -2.260 1.00 0.00 O ATOM 705 OE2 GLU A 43 6.042 -11.555 -1.567 1.00 0.00 O ATOM 0 H GLU A 43 10.363 -9.579 -3.396 1.00 0.00 H new ATOM 0 HA GLU A 43 7.806 -9.896 -4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.967 -8.251 -2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.272 -8.128 -2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.424 -10.863 -2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.144 -9.840 -0.855 1.00 0.00 H new ATOM 712 N ILE A 44 9.292 -7.025 -5.157 1.00 0.00 N ATOM 713 CA ILE A 44 9.190 -5.843 -5.981 1.00 0.00 C ATOM 714 C ILE A 44 9.023 -6.239 -7.437 1.00 0.00 C ATOM 715 O ILE A 44 8.083 -5.804 -8.103 1.00 0.00 O ATOM 716 CB ILE A 44 10.423 -4.937 -5.821 1.00 0.00 C ATOM 717 CG1 ILE A 44 10.406 -4.221 -4.475 1.00 0.00 C ATOM 718 CG2 ILE A 44 10.500 -3.936 -6.953 1.00 0.00 C ATOM 719 CD1 ILE A 44 9.100 -3.541 -4.125 1.00 0.00 C ATOM 0 H ILE A 44 10.183 -7.132 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 44 8.315 -5.280 -5.654 1.00 0.00 H new ATOM 0 HB ILE A 44 11.311 -5.569 -5.857 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.642 -4.944 -3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.200 -3.474 -4.469 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.379 -3.305 -6.821 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.573 -4.466 -7.903 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.604 -3.315 -6.951 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.189 -3.061 -3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.867 -2.789 -4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.301 -4.282 -4.093 1.00 0.00 H new ATOM 731 N ASN A 45 9.919 -7.092 -7.924 1.00 0.00 N ATOM 732 CA ASN A 45 9.826 -7.559 -9.296 1.00 0.00 C ATOM 733 C ASN A 45 8.377 -7.913 -9.589 1.00 0.00 C ATOM 734 O ASN A 45 7.909 -7.808 -10.722 1.00 0.00 O ATOM 735 CB ASN A 45 10.728 -8.774 -9.519 1.00 0.00 C ATOM 736 CG ASN A 45 12.020 -8.410 -10.224 1.00 0.00 C ATOM 737 OD1 ASN A 45 12.398 -9.036 -11.215 1.00 0.00 O ATOM 738 ND2 ASN A 45 12.704 -7.392 -9.716 1.00 0.00 N ATOM 0 H ASN A 45 10.706 -7.468 -7.395 1.00 0.00 H new ATOM 0 HA ASN A 45 10.160 -6.772 -9.972 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.958 -9.234 -8.558 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.192 -9.518 -10.108 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.580 -7.100 -10.148 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.353 -6.902 -8.893 1.00 0.00 H new ATOM 745 N ALA A 46 7.670 -8.315 -8.535 1.00 0.00 N ATOM 746 CA ALA A 46 6.264 -8.666 -8.643 1.00 0.00 C ATOM 747 C ALA A 46 5.426 -7.436 -8.987 1.00 0.00 C ATOM 748 O ALA A 46 4.544 -7.509 -9.841 1.00 0.00 O ATOM 749 CB ALA A 46 5.776 -9.299 -7.349 1.00 0.00 C ATOM 0 H ALA A 46 8.054 -8.405 -7.594 1.00 0.00 H new ATOM 0 HA ALA A 46 6.151 -9.392 -9.448 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.721 -9.557 -7.445 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.353 -10.201 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.904 -8.594 -6.528 1.00 0.00 H new ATOM 755 N GLN A 47 5.712 -6.309 -8.313 1.00 0.00 N ATOM 756 CA GLN A 47 4.994 -5.055 -8.542 1.00 0.00 C ATOM 757 C GLN A 47 4.312 -5.027 -9.906 1.00 0.00 C ATOM 758 O GLN A 47 3.112 -5.278 -10.013 1.00 0.00 O ATOM 759 CB GLN A 47 5.954 -3.871 -8.428 1.00 0.00 C ATOM 760 CG GLN A 47 6.484 -3.655 -7.022 1.00 0.00 C ATOM 761 CD GLN A 47 7.284 -2.373 -6.887 1.00 0.00 C ATOM 762 OE1 GLN A 47 7.271 -1.727 -5.840 1.00 0.00 O ATOM 763 NE2 GLN A 47 7.986 -2.000 -7.950 1.00 0.00 N ATOM 0 H GLN A 47 6.441 -6.247 -7.602 1.00 0.00 H new ATOM 0 HA GLN A 47 4.220 -4.981 -7.778 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.794 -4.028 -9.104 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.444 -2.966 -8.758 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.648 -3.632 -6.323 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.111 -4.501 -6.741 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.967 -2.567 -8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.544 -1.147 -7.919 1.00 0.00 H new ATOM 772 N THR A 48 5.079 -4.711 -10.944 1.00 0.00 N ATOM 773 CA THR A 48 4.534 -4.641 -12.295 1.00 0.00 C ATOM 774 C THR A 48 3.560 -3.474 -12.405 1.00 0.00 C ATOM 775 O THR A 48 3.766 -2.550 -13.193 1.00 0.00 O ATOM 776 CB THR A 48 3.830 -5.951 -12.657 1.00 0.00 C ATOM 777 OG1 THR A 48 4.545 -7.062 -12.144 1.00 0.00 O ATOM 778 CG2 THR A 48 3.675 -6.153 -14.148 1.00 0.00 C ATOM 0 H THR A 48 6.075 -4.500 -10.877 1.00 0.00 H new ATOM 0 HA THR A 48 5.355 -4.485 -12.994 1.00 0.00 H new ATOM 0 HB THR A 48 2.838 -5.880 -12.211 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.128 -7.363 -11.310 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.169 -7.100 -14.336 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.086 -5.337 -14.566 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.659 -6.168 -14.617 1.00 0.00 H new ATOM 786 N THR A 49 2.506 -3.516 -11.596 1.00 0.00 N ATOM 787 CA THR A 49 1.506 -2.458 -11.584 1.00 0.00 C ATOM 788 C THR A 49 2.003 -1.273 -10.757 1.00 0.00 C ATOM 789 O THR A 49 3.199 -0.983 -10.737 1.00 0.00 O ATOM 790 CB THR A 49 0.185 -2.985 -11.017 1.00 0.00 C ATOM 791 OG1 THR A 49 0.206 -2.971 -9.601 1.00 0.00 O ATOM 792 CG2 THR A 49 -0.136 -4.397 -11.458 1.00 0.00 C ATOM 0 H THR A 49 2.323 -4.275 -10.939 1.00 0.00 H new ATOM 0 HA THR A 49 1.337 -2.123 -12.607 1.00 0.00 H new ATOM 0 HB THR A 49 -0.583 -2.317 -11.407 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.158 -3.890 -9.264 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.085 -4.708 -11.020 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.209 -4.431 -12.545 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.655 -5.070 -11.127 1.00 0.00 H new ATOM 800 N GLY A 50 1.087 -0.589 -10.076 1.00 0.00 N ATOM 801 CA GLY A 50 1.473 0.549 -9.264 1.00 0.00 C ATOM 802 C GLY A 50 0.999 0.431 -7.827 1.00 0.00 C ATOM 803 O GLY A 50 1.433 1.190 -6.960 1.00 0.00 O ATOM 0 H GLY A 50 0.090 -0.802 -10.073 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.558 0.648 -9.277 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.064 1.459 -9.703 1.00 0.00 H new ATOM 807 N LEU A 51 0.102 -0.517 -7.575 1.00 0.00 N ATOM 808 CA LEU A 51 -0.434 -0.724 -6.234 1.00 0.00 C ATOM 809 C LEU A 51 0.398 -1.736 -5.449 1.00 0.00 C ATOM 810 O LEU A 51 0.692 -1.530 -4.271 1.00 0.00 O ATOM 811 CB LEU A 51 -1.888 -1.196 -6.314 1.00 0.00 C ATOM 812 CG LEU A 51 -2.482 -1.230 -7.723 1.00 0.00 C ATOM 813 CD1 LEU A 51 -2.277 -2.598 -8.356 1.00 0.00 C ATOM 814 CD2 LEU A 51 -3.961 -0.875 -7.687 1.00 0.00 C ATOM 0 H LEU A 51 -0.269 -1.153 -8.281 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.391 0.230 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.953 -2.196 -5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.501 -0.542 -5.694 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.965 -0.489 -8.332 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.706 -2.603 -9.358 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.210 -2.815 -8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.767 -3.358 -7.747 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.367 -0.904 -8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.492 -1.593 -7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.085 0.127 -7.275 1.00 0.00 H new ATOM 826 N ARG A 52 0.761 -2.836 -6.103 1.00 0.00 N ATOM 827 CA ARG A 52 1.545 -3.886 -5.458 1.00 0.00 C ATOM 828 C ARG A 52 2.866 -3.348 -4.918 1.00 0.00 C ATOM 829 O ARG A 52 3.506 -3.985 -4.081 1.00 0.00 O ATOM 830 CB ARG A 52 1.813 -5.028 -6.438 1.00 0.00 C ATOM 831 CG ARG A 52 1.250 -6.363 -5.980 1.00 0.00 C ATOM 832 CD ARG A 52 1.672 -7.495 -6.903 1.00 0.00 C ATOM 833 NE ARG A 52 0.523 -8.158 -7.513 1.00 0.00 N ATOM 834 CZ ARG A 52 -0.303 -8.959 -6.849 1.00 0.00 C ATOM 835 NH1 ARG A 52 -0.101 -9.201 -5.561 1.00 0.00 N ATOM 836 NH2 ARG A 52 -1.332 -9.517 -7.472 1.00 0.00 N ATOM 0 H ARG A 52 0.525 -3.024 -7.078 1.00 0.00 H new ATOM 0 HA ARG A 52 0.962 -4.261 -4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.382 -4.774 -7.407 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.889 -5.127 -6.583 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.590 -6.573 -4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.162 -6.307 -5.946 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.322 -7.102 -7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.255 -8.224 -6.340 1.00 0.00 H new ATOM 0 HE ARG A 52 0.345 -7.997 -8.504 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.689 -8.772 -5.079 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.736 -9.816 -5.052 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.490 -9.331 -8.462 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.965 -10.132 -6.961 1.00 0.00 H new ATOM 850 N LYS A 53 3.273 -2.176 -5.394 1.00 0.00 N ATOM 851 CA LYS A 53 4.521 -1.569 -4.944 1.00 0.00 C ATOM 852 C LYS A 53 4.432 -1.214 -3.459 1.00 0.00 C ATOM 853 O LYS A 53 5.176 -1.748 -2.630 1.00 0.00 O ATOM 854 CB LYS A 53 4.830 -0.315 -5.763 1.00 0.00 C ATOM 855 CG LYS A 53 4.410 -0.421 -7.220 1.00 0.00 C ATOM 856 CD LYS A 53 4.931 0.749 -8.040 1.00 0.00 C ATOM 857 CE LYS A 53 6.439 0.898 -7.912 1.00 0.00 C ATOM 858 NZ LYS A 53 6.816 2.182 -7.260 1.00 0.00 N ATOM 0 H LYS A 53 2.761 -1.630 -6.087 1.00 0.00 H new ATOM 0 HA LYS A 53 5.327 -2.289 -5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.326 0.538 -5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.900 -0.115 -5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.784 -1.355 -7.640 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.322 -0.455 -7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.667 0.605 -9.088 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.445 1.668 -7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.838 0.066 -7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.894 0.845 -8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.852 2.246 -7.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.457 2.977 -7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.403 2.222 -6.306 1.00 0.00 H new ATOM 872 N THR A 54 3.504 -0.321 -3.119 1.00 0.00 N ATOM 873 CA THR A 54 3.315 0.070 -1.739 1.00 0.00 C ATOM 874 C THR A 54 3.092 -1.173 -0.895 1.00 0.00 C ATOM 875 O THR A 54 3.589 -1.277 0.227 1.00 0.00 O ATOM 876 CB THR A 54 2.126 1.017 -1.618 1.00 0.00 C ATOM 877 OG1 THR A 54 2.130 1.966 -2.670 1.00 0.00 O ATOM 878 CG2 THR A 54 2.108 1.777 -0.316 1.00 0.00 C ATOM 0 H THR A 54 2.879 0.138 -3.781 1.00 0.00 H new ATOM 0 HA THR A 54 4.203 0.592 -1.383 1.00 0.00 H new ATOM 0 HB THR A 54 1.241 0.382 -1.666 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.359 2.563 -2.575 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.238 2.434 -0.290 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.057 1.074 0.515 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.016 2.374 -0.230 1.00 0.00 H new ATOM 886 N MET A 55 2.361 -2.129 -1.462 1.00 0.00 N ATOM 887 CA MET A 55 2.095 -3.382 -0.781 1.00 0.00 C ATOM 888 C MET A 55 3.409 -4.053 -0.442 1.00 0.00 C ATOM 889 O MET A 55 3.576 -4.610 0.643 1.00 0.00 O ATOM 890 CB MET A 55 1.203 -4.283 -1.651 1.00 0.00 C ATOM 891 CG MET A 55 1.726 -5.698 -1.850 1.00 0.00 C ATOM 892 SD MET A 55 0.427 -6.857 -2.320 1.00 0.00 S ATOM 893 CE MET A 55 -0.045 -7.503 -0.718 1.00 0.00 C ATOM 0 H MET A 55 1.945 -2.055 -2.390 1.00 0.00 H new ATOM 0 HA MET A 55 1.556 -3.193 0.147 1.00 0.00 H new ATOM 0 HB2 MET A 55 0.213 -4.337 -1.198 1.00 0.00 H new ATOM 0 HB3 MET A 55 1.081 -3.815 -2.628 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.498 -5.691 -2.620 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.197 -6.040 -0.929 1.00 0.00 H new ATOM 0 HE1 MET A 55 -1.067 -7.880 -0.764 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.629 -8.313 -0.440 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.015 -6.709 0.027 1.00 0.00 H new ATOM 903 N LEU A 56 4.344 -3.985 -1.374 1.00 0.00 N ATOM 904 CA LEU A 56 5.639 -4.569 -1.182 1.00 0.00 C ATOM 905 C LEU A 56 6.260 -4.143 0.126 1.00 0.00 C ATOM 906 O LEU A 56 6.292 -4.927 1.062 1.00 0.00 O ATOM 907 CB LEU A 56 6.544 -4.213 -2.345 1.00 0.00 C ATOM 908 CG LEU A 56 7.009 -5.418 -3.119 1.00 0.00 C ATOM 909 CD1 LEU A 56 8.201 -6.035 -2.403 1.00 0.00 C ATOM 910 CD2 LEU A 56 5.845 -6.397 -3.253 1.00 0.00 C ATOM 0 H LEU A 56 4.218 -3.525 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 56 5.516 -5.651 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.014 -3.539 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.413 -3.672 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 56 7.331 -5.142 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.545 -6.909 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.007 -5.304 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.906 -6.335 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.170 -7.274 -3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.510 -6.702 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.023 -5.914 -3.781 1.00 0.00 H new ATOM 922 N LEU A 57 6.763 -2.915 0.194 1.00 0.00 N ATOM 923 CA LEU A 57 7.382 -2.439 1.415 1.00 0.00 C ATOM 924 C LEU A 57 6.657 -2.964 2.643 1.00 0.00 C ATOM 925 O LEU A 57 7.254 -3.607 3.506 1.00 0.00 O ATOM 926 CB LEU A 57 7.431 -0.932 1.435 1.00 0.00 C ATOM 927 CG LEU A 57 8.840 -0.395 1.561 1.00 0.00 C ATOM 928 CD1 LEU A 57 9.324 -0.560 2.988 1.00 0.00 C ATOM 929 CD2 LEU A 57 9.780 -1.126 0.616 1.00 0.00 C ATOM 0 H LEU A 57 6.753 -2.243 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 57 8.403 -2.820 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.980 -0.546 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.831 -0.564 2.267 1.00 0.00 H new ATOM 0 HG LEU A 57 8.833 0.662 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.339 -0.172 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.666 -0.010 3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.315 -1.617 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.788 -0.725 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.785 -2.189 0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.442 -0.990 -0.411 1.00 0.00 H new ATOM 941 N LEU A 58 5.365 -2.695 2.707 1.00 0.00 N ATOM 942 CA LEU A 58 4.548 -3.149 3.820 1.00 0.00 C ATOM 943 C LEU A 58 4.626 -4.669 3.959 1.00 0.00 C ATOM 944 O LEU A 58 4.465 -5.219 5.049 1.00 0.00 O ATOM 945 CB LEU A 58 3.098 -2.723 3.607 1.00 0.00 C ATOM 946 CG LEU A 58 2.899 -1.280 3.142 1.00 0.00 C ATOM 947 CD1 LEU A 58 1.472 -1.074 2.665 1.00 0.00 C ATOM 948 CD2 LEU A 58 3.240 -0.306 4.259 1.00 0.00 C ATOM 0 H LEU A 58 4.857 -2.163 2.000 1.00 0.00 H new ATOM 0 HA LEU A 58 4.927 -2.696 4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.646 -3.389 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.555 -2.864 4.542 1.00 0.00 H new ATOM 0 HG LEU A 58 3.573 -1.087 2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.343 -0.043 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.265 -1.748 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.781 -1.283 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.092 0.716 3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.592 -0.493 5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.280 -0.441 4.555 1.00 0.00 H new ATOM 960 N ASP A 59 4.869 -5.331 2.836 1.00 0.00 N ATOM 961 CA ASP A 59 4.971 -6.791 2.787 1.00 0.00 C ATOM 962 C ASP A 59 6.395 -7.274 3.068 1.00 0.00 C ATOM 963 O ASP A 59 6.607 -8.410 3.491 1.00 0.00 O ATOM 964 CB ASP A 59 4.534 -7.293 1.407 1.00 0.00 C ATOM 965 CG ASP A 59 3.157 -7.927 1.427 1.00 0.00 C ATOM 966 OD1 ASP A 59 3.045 -9.088 1.872 1.00 0.00 O ATOM 967 OD2 ASP A 59 2.191 -7.262 0.998 1.00 0.00 O ATOM 0 H ASP A 59 5.001 -4.876 1.933 1.00 0.00 H new ATOM 0 HA ASP A 59 4.318 -7.192 3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.536 -6.460 0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.260 -8.020 1.042 1.00 0.00 H new ATOM 972 N ILE A 60 7.360 -6.407 2.809 1.00 0.00 N ATOM 973 CA ILE A 60 8.774 -6.723 3.004 1.00 0.00 C ATOM 974 C ILE A 60 9.236 -6.367 4.412 1.00 0.00 C ATOM 975 O ILE A 60 9.918 -7.153 5.069 1.00 0.00 O ATOM 976 CB ILE A 60 9.664 -5.972 1.986 1.00 0.00 C ATOM 977 CG1 ILE A 60 8.820 -5.175 1.015 1.00 0.00 C ATOM 978 CG2 ILE A 60 10.535 -6.931 1.212 1.00 0.00 C ATOM 979 CD1 ILE A 60 9.630 -4.363 0.044 1.00 0.00 C ATOM 0 H ILE A 60 7.190 -5.464 2.458 1.00 0.00 H new ATOM 0 HA ILE A 60 8.876 -7.798 2.852 1.00 0.00 H new ATOM 0 HB ILE A 60 10.300 -5.292 2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.178 -5.858 0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.166 -4.508 1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.149 -6.374 0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.180 -7.475 1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.906 -7.637 0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.961 -3.818 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.253 -3.656 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.265 -5.026 -0.544 1.00 0.00 H new ATOM 991 N LEU A 61 8.864 -5.176 4.870 1.00 0.00 N ATOM 992 CA LEU A 61 9.247 -4.719 6.200 1.00 0.00 C ATOM 993 C LEU A 61 9.060 -5.825 7.232 1.00 0.00 C ATOM 994 O LEU A 61 9.957 -6.099 8.028 1.00 0.00 O ATOM 995 CB LEU A 61 8.439 -3.480 6.596 1.00 0.00 C ATOM 996 CG LEU A 61 8.717 -2.227 5.758 1.00 0.00 C ATOM 997 CD1 LEU A 61 8.549 -0.972 6.598 1.00 0.00 C ATOM 998 CD2 LEU A 61 10.115 -2.278 5.158 1.00 0.00 C ATOM 0 H LEU A 61 8.299 -4.512 4.341 1.00 0.00 H new ATOM 0 HA LEU A 61 10.304 -4.453 6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.378 -3.719 6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.643 -3.251 7.642 1.00 0.00 H new ATOM 0 HG LEU A 61 7.993 -2.198 4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.751 -0.094 5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.529 -0.922 6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.247 -0.998 7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.290 -1.379 4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.853 -2.336 5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.204 -3.156 4.518 1.00 0.00 H new ATOM 1010 N PRO A 62 7.897 -6.492 7.230 1.00 0.00 N ATOM 1011 CA PRO A 62 7.626 -7.576 8.165 1.00 0.00 C ATOM 1012 C PRO A 62 8.860 -8.438 8.405 1.00 0.00 C ATOM 1013 O PRO A 62 9.016 -9.034 9.471 1.00 0.00 O ATOM 1014 CB PRO A 62 6.535 -8.368 7.453 1.00 0.00 C ATOM 1015 CG PRO A 62 5.777 -7.342 6.678 1.00 0.00 C ATOM 1016 CD PRO A 62 6.766 -6.258 6.314 1.00 0.00 C ATOM 0 HA PRO A 62 7.335 -7.222 9.154 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.960 -9.128 6.797 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.891 -8.885 8.164 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.336 -7.780 5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.958 -6.936 7.271 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.074 -6.331 5.271 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.339 -5.264 6.451 1.00 0.00 H new ATOM 1102 N ALA A 68 13.440 -0.321 8.791 1.00 0.00 N ATOM 1103 CA ALA A 68 12.967 0.090 7.476 1.00 0.00 C ATOM 1104 C ALA A 68 11.881 1.152 7.573 1.00 0.00 C ATOM 1105 O ALA A 68 11.517 1.765 6.572 1.00 0.00 O ATOM 1106 CB ALA A 68 12.437 -1.114 6.714 1.00 0.00 C ATOM 0 HA ALA A 68 13.813 0.522 6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.086 -0.797 5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.233 -1.849 6.595 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.611 -1.561 7.268 1.00 0.00 H new ATOM 1112 N PHE A 69 11.349 1.355 8.772 1.00 0.00 N ATOM 1113 CA PHE A 69 10.288 2.334 8.964 1.00 0.00 C ATOM 1114 C PHE A 69 10.818 3.762 8.911 1.00 0.00 C ATOM 1115 O PHE A 69 10.614 4.465 7.922 1.00 0.00 O ATOM 1116 CB PHE A 69 9.556 2.090 10.281 1.00 0.00 C ATOM 1117 CG PHE A 69 8.080 2.315 10.161 1.00 0.00 C ATOM 1118 CD1 PHE A 69 7.396 1.867 9.043 1.00 0.00 C ATOM 1119 CD2 PHE A 69 7.380 2.987 11.146 1.00 0.00 C ATOM 1120 CE1 PHE A 69 6.041 2.082 8.911 1.00 0.00 C ATOM 1121 CE2 PHE A 69 6.023 3.208 11.019 1.00 0.00 C ATOM 1122 CZ PHE A 69 5.352 2.754 9.900 1.00 0.00 C ATOM 0 H PHE A 69 11.632 0.860 9.618 1.00 0.00 H new ATOM 0 HA PHE A 69 9.583 2.210 8.142 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.740 1.068 10.612 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.961 2.751 11.047 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.931 1.343 8.265 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.900 3.343 12.023 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.519 1.725 8.035 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.487 3.735 11.794 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.290 2.925 9.799 1.00 0.00 H new ATOM 1132 N ASP A 70 11.490 4.191 9.976 1.00 0.00 N ATOM 1133 CA ASP A 70 12.038 5.543 10.034 1.00 0.00 C ATOM 1134 C ASP A 70 12.519 5.984 8.657 1.00 0.00 C ATOM 1135 O ASP A 70 12.433 7.160 8.298 1.00 0.00 O ATOM 1136 CB ASP A 70 13.192 5.610 11.036 1.00 0.00 C ATOM 1137 CG ASP A 70 12.721 5.475 12.471 1.00 0.00 C ATOM 1138 OD1 ASP A 70 12.109 6.432 12.988 1.00 0.00 O ATOM 1139 OD2 ASP A 70 12.966 4.411 13.078 1.00 0.00 O ATOM 0 H ASP A 70 11.668 3.626 10.806 1.00 0.00 H new ATOM 0 HA ASP A 70 11.247 6.218 10.362 1.00 0.00 H new ATOM 0 HB2 ASP A 70 13.907 4.818 10.815 1.00 0.00 H new ATOM 0 HB3 ASP A 70 13.718 6.557 10.917 1.00 0.00 H new ATOM 1144 N THR A 71 13.015 5.024 7.885 1.00 0.00 N ATOM 1145 CA THR A 71 13.503 5.292 6.541 1.00 0.00 C ATOM 1146 C THR A 71 12.367 5.173 5.533 1.00 0.00 C ATOM 1147 O THR A 71 12.237 6.002 4.632 1.00 0.00 O ATOM 1148 CB THR A 71 14.635 4.317 6.201 1.00 0.00 C ATOM 1149 OG1 THR A 71 15.658 4.383 7.177 1.00 0.00 O ATOM 1150 CG2 THR A 71 15.276 4.569 4.855 1.00 0.00 C ATOM 0 H THR A 71 13.089 4.048 8.171 1.00 0.00 H new ATOM 0 HA THR A 71 13.891 6.310 6.495 1.00 0.00 H new ATOM 0 HB THR A 71 14.163 3.335 6.176 1.00 0.00 H new ATOM 0 HG1 THR A 71 16.372 3.753 6.946 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.068 3.839 4.687 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.524 4.477 4.071 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.699 5.573 4.836 1.00 0.00 H new ATOM 1158 N PHE A 72 11.536 4.147 5.697 1.00 0.00 N ATOM 1159 CA PHE A 72 10.406 3.948 4.800 1.00 0.00 C ATOM 1160 C PHE A 72 9.554 5.210 4.763 1.00 0.00 C ATOM 1161 O PHE A 72 8.992 5.562 3.726 1.00 0.00 O ATOM 1162 CB PHE A 72 9.567 2.738 5.232 1.00 0.00 C ATOM 1163 CG PHE A 72 8.123 2.824 4.819 1.00 0.00 C ATOM 1164 CD1 PHE A 72 7.782 3.108 3.507 1.00 0.00 C ATOM 1165 CD2 PHE A 72 7.109 2.623 5.742 1.00 0.00 C ATOM 1166 CE1 PHE A 72 6.457 3.189 3.122 1.00 0.00 C ATOM 1167 CE2 PHE A 72 5.783 2.703 5.364 1.00 0.00 C ATOM 1168 CZ PHE A 72 5.456 2.986 4.052 1.00 0.00 C ATOM 0 H PHE A 72 11.624 3.448 6.435 1.00 0.00 H new ATOM 0 HA PHE A 72 10.785 3.745 3.798 1.00 0.00 H new ATOM 0 HB2 PHE A 72 10.004 1.834 4.807 1.00 0.00 H new ATOM 0 HB3 PHE A 72 9.620 2.639 6.316 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.561 3.268 2.776 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.359 2.401 6.769 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.205 3.411 2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.003 2.544 6.093 1.00 0.00 H new ATOM 0 HZ PHE A 72 4.420 3.048 3.754 1.00 0.00 H new ATOM 1178 N LEU A 73 9.481 5.902 5.900 1.00 0.00 N ATOM 1179 CA LEU A 73 8.718 7.139 5.983 1.00 0.00 C ATOM 1180 C LEU A 73 9.512 8.274 5.366 1.00 0.00 C ATOM 1181 O LEU A 73 8.961 9.132 4.688 1.00 0.00 O ATOM 1182 CB LEU A 73 8.377 7.493 7.432 1.00 0.00 C ATOM 1183 CG LEU A 73 7.736 6.382 8.253 1.00 0.00 C ATOM 1184 CD1 LEU A 73 8.538 6.144 9.518 1.00 0.00 C ATOM 1185 CD2 LEU A 73 6.298 6.742 8.594 1.00 0.00 C ATOM 0 H LEU A 73 9.939 5.626 6.769 1.00 0.00 H new ATOM 0 HA LEU A 73 7.786 6.992 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.292 7.808 7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.704 8.350 7.428 1.00 0.00 H new ATOM 0 HG LEU A 73 7.731 5.465 7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.073 5.348 10.099 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.555 5.854 9.255 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.563 7.059 10.110 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.851 5.939 9.181 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.281 7.666 9.171 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.729 6.879 7.674 1.00 0.00 H new ATOM 1197 N ASP A 74 10.818 8.262 5.588 1.00 0.00 N ATOM 1198 CA ASP A 74 11.681 9.290 5.029 1.00 0.00 C ATOM 1199 C ASP A 74 11.520 9.325 3.516 1.00 0.00 C ATOM 1200 O ASP A 74 11.873 10.306 2.862 1.00 0.00 O ATOM 1201 CB ASP A 74 13.140 9.029 5.404 1.00 0.00 C ATOM 1202 CG ASP A 74 13.714 10.121 6.285 1.00 0.00 C ATOM 1203 OD1 ASP A 74 13.168 11.244 6.270 1.00 0.00 O ATOM 1204 OD2 ASP A 74 14.709 9.853 6.990 1.00 0.00 O ATOM 0 H ASP A 74 11.300 7.558 6.147 1.00 0.00 H new ATOM 0 HA ASP A 74 11.393 10.257 5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.214 8.072 5.921 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.737 8.947 4.496 1.00 0.00 H new ATOM 1209 N SER A 75 10.972 8.241 2.971 1.00 0.00 N ATOM 1210 CA SER A 75 10.743 8.132 1.535 1.00 0.00 C ATOM 1211 C SER A 75 9.358 8.651 1.168 1.00 0.00 C ATOM 1212 O SER A 75 9.171 9.247 0.110 1.00 0.00 O ATOM 1213 CB SER A 75 10.874 6.678 1.083 1.00 0.00 C ATOM 1214 OG SER A 75 11.243 5.836 2.161 1.00 0.00 O ATOM 0 H SER A 75 10.678 7.424 3.506 1.00 0.00 H new ATOM 0 HA SER A 75 11.495 8.737 1.029 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.928 6.339 0.661 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.620 6.607 0.291 1.00 0.00 H new ATOM 0 HG SER A 75 12.079 6.160 2.558 1.00 0.00 H new ATOM 1220 N LEU A 76 8.396 8.403 2.056 1.00 0.00 N ATOM 1221 CA LEU A 76 7.007 8.815 1.862 1.00 0.00 C ATOM 1222 C LEU A 76 6.863 10.006 0.923 1.00 0.00 C ATOM 1223 O LEU A 76 6.711 11.129 1.359 1.00 0.00 O ATOM 1224 CB LEU A 76 6.391 9.133 3.217 1.00 0.00 C ATOM 1225 CG LEU A 76 5.831 7.920 3.933 1.00 0.00 C ATOM 1226 CD1 LEU A 76 5.420 8.265 5.352 1.00 0.00 C ATOM 1227 CD2 LEU A 76 4.668 7.385 3.140 1.00 0.00 C ATOM 0 H LEU A 76 8.559 7.909 2.933 1.00 0.00 H new ATOM 0 HA LEU A 76 6.480 7.987 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.147 9.600 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.594 9.864 3.081 1.00 0.00 H new ATOM 0 HG LEU A 76 6.601 7.152 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.022 7.376 5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.287 8.626 5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.655 9.041 5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.255 6.511 3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.899 8.154 3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.007 7.102 2.143 1.00 0.00 H new ATOM 1239 N GLN A 77 6.892 9.746 -0.372 1.00 0.00 N ATOM 1240 CA GLN A 77 6.759 10.806 -1.371 1.00 0.00 C ATOM 1241 C GLN A 77 5.714 11.860 -0.977 1.00 0.00 C ATOM 1242 O GLN A 77 5.765 12.991 -1.461 1.00 0.00 O ATOM 1243 CB GLN A 77 6.391 10.203 -2.728 1.00 0.00 C ATOM 1244 CG GLN A 77 5.350 9.100 -2.641 1.00 0.00 C ATOM 1245 CD GLN A 77 4.083 9.433 -3.404 1.00 0.00 C ATOM 1246 OE1 GLN A 77 3.774 10.602 -3.639 1.00 0.00 O ATOM 1247 NE2 GLN A 77 3.342 8.404 -3.796 1.00 0.00 N ATOM 0 H GLN A 77 7.006 8.811 -0.763 1.00 0.00 H new ATOM 0 HA GLN A 77 7.724 11.309 -1.432 1.00 0.00 H new ATOM 0 HB2 GLN A 77 6.017 10.994 -3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 77 7.292 9.805 -3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.773 8.175 -3.032 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.103 8.920 -1.595 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.636 7.452 -3.579 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.478 8.566 -4.314 1.00 0.00 H new ATOM 1256 N GLU A 78 4.755 11.490 -0.128 1.00 0.00 N ATOM 1257 CA GLU A 78 3.696 12.422 0.279 1.00 0.00 C ATOM 1258 C GLU A 78 3.645 12.629 1.789 1.00 0.00 C ATOM 1259 O GLU A 78 2.658 13.143 2.315 1.00 0.00 O ATOM 1260 CB GLU A 78 2.347 11.902 -0.195 1.00 0.00 C ATOM 1261 CG GLU A 78 2.382 10.452 -0.647 1.00 0.00 C ATOM 1262 CD GLU A 78 1.116 10.031 -1.368 1.00 0.00 C ATOM 1263 OE1 GLU A 78 0.550 10.863 -2.108 1.00 0.00 O ATOM 1264 OE2 GLU A 78 0.691 8.870 -1.192 1.00 0.00 O ATOM 0 H GLU A 78 4.687 10.562 0.289 1.00 0.00 H new ATOM 0 HA GLU A 78 3.923 13.384 -0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.622 12.005 0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.996 12.523 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.237 10.302 -1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.532 9.809 0.220 1.00 0.00 H new ATOM 1271 N PHE A 79 4.700 12.208 2.472 1.00 0.00 N ATOM 1272 CA PHE A 79 4.798 12.315 3.940 1.00 0.00 C ATOM 1273 C PHE A 79 3.769 13.263 4.562 1.00 0.00 C ATOM 1274 O PHE A 79 2.981 12.850 5.412 1.00 0.00 O ATOM 1275 CB PHE A 79 6.187 12.759 4.371 1.00 0.00 C ATOM 1276 CG PHE A 79 7.221 12.600 3.310 1.00 0.00 C ATOM 1277 CD1 PHE A 79 7.228 13.413 2.191 1.00 0.00 C ATOM 1278 CD2 PHE A 79 8.166 11.603 3.417 1.00 0.00 C ATOM 1279 CE1 PHE A 79 8.164 13.228 1.196 1.00 0.00 C ATOM 1280 CE2 PHE A 79 9.107 11.412 2.433 1.00 0.00 C ATOM 1281 CZ PHE A 79 9.107 12.224 1.314 1.00 0.00 C ATOM 0 H PHE A 79 5.517 11.782 2.035 1.00 0.00 H new ATOM 0 HA PHE A 79 4.588 11.310 4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.147 13.805 4.674 1.00 0.00 H new ATOM 0 HB3 PHE A 79 6.487 12.185 5.248 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.494 14.199 2.096 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.168 10.962 4.286 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.161 13.867 0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 79 9.844 10.629 2.534 1.00 0.00 H new ATOM 0 HZ PHE A 79 9.840 12.075 0.535 1.00 0.00 H new ATOM 1291 N PRO A 80 3.775 14.553 4.172 1.00 0.00 N ATOM 1292 CA PRO A 80 2.860 15.553 4.710 1.00 0.00 C ATOM 1293 C PRO A 80 1.521 14.975 5.151 1.00 0.00 C ATOM 1294 O PRO A 80 0.914 15.461 6.105 1.00 0.00 O ATOM 1295 CB PRO A 80 2.694 16.490 3.524 1.00 0.00 C ATOM 1296 CG PRO A 80 4.042 16.499 2.879 1.00 0.00 C ATOM 1297 CD PRO A 80 4.683 15.160 3.182 1.00 0.00 C ATOM 0 HA PRO A 80 3.240 16.026 5.616 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.926 16.133 2.838 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.398 17.489 3.843 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.954 16.651 1.803 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.651 17.315 3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.767 14.545 2.286 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.690 15.280 3.583 1.00 0.00 H new ATOM 1305 N TRP A 81 1.062 13.942 4.460 1.00 0.00 N ATOM 1306 CA TRP A 81 -0.208 13.314 4.801 1.00 0.00 C ATOM 1307 C TRP A 81 -0.051 11.810 5.007 1.00 0.00 C ATOM 1308 O TRP A 81 -0.831 11.193 5.734 1.00 0.00 O ATOM 1309 CB TRP A 81 -1.243 13.585 3.709 1.00 0.00 C ATOM 1310 CG TRP A 81 -2.427 12.671 3.778 1.00 0.00 C ATOM 1311 CD1 TRP A 81 -2.563 11.458 3.166 1.00 0.00 C ATOM 1312 CD2 TRP A 81 -3.641 12.894 4.503 1.00 0.00 C ATOM 1313 NE1 TRP A 81 -3.789 10.914 3.465 1.00 0.00 N ATOM 1314 CE2 TRP A 81 -4.470 11.777 4.284 1.00 0.00 C ATOM 1315 CE3 TRP A 81 -4.109 13.932 5.315 1.00 0.00 C ATOM 1316 CZ2 TRP A 81 -5.738 11.669 4.849 1.00 0.00 C ATOM 1317 CZ3 TRP A 81 -5.368 13.823 5.876 1.00 0.00 C ATOM 1318 CH2 TRP A 81 -6.169 12.699 5.641 1.00 0.00 C ATOM 0 H TRP A 81 1.545 13.523 3.665 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.551 13.749 5.740 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -1.584 14.617 3.789 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -0.768 13.481 2.733 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -1.816 10.994 2.539 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.136 10.015 3.132 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -3.498 14.803 5.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.359 10.804 4.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -5.740 14.618 6.506 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -7.148 12.643 6.094 1.00 0.00 H new ATOM 1329 N VAL A 82 0.957 11.219 4.372 1.00 0.00 N ATOM 1330 CA VAL A 82 1.189 9.787 4.504 1.00 0.00 C ATOM 1331 C VAL A 82 2.033 9.483 5.733 1.00 0.00 C ATOM 1332 O VAL A 82 1.796 8.500 6.430 1.00 0.00 O ATOM 1333 CB VAL A 82 1.889 9.211 3.263 1.00 0.00 C ATOM 1334 CG1 VAL A 82 1.060 9.468 2.015 1.00 0.00 C ATOM 1335 CG2 VAL A 82 3.267 9.817 3.123 1.00 0.00 C ATOM 0 H VAL A 82 1.619 11.705 3.767 1.00 0.00 H new ATOM 0 HA VAL A 82 0.211 9.317 4.608 1.00 0.00 H new ATOM 0 HB VAL A 82 1.991 8.133 3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.572 9.053 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.084 8.994 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.929 10.542 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.758 9.405 2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.180 10.898 3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.858 9.586 4.009 1.00 0.00 H new ATOM 1345 N ARG A 83 3.016 10.340 5.995 1.00 0.00 N ATOM 1346 CA ARG A 83 3.896 10.171 7.142 1.00 0.00 C ATOM 1347 C ARG A 83 3.153 10.513 8.426 1.00 0.00 C ATOM 1348 O ARG A 83 3.363 9.887 9.464 1.00 0.00 O ATOM 1349 CB ARG A 83 5.147 11.048 6.975 1.00 0.00 C ATOM 1350 CG ARG A 83 5.564 11.801 8.228 1.00 0.00 C ATOM 1351 CD ARG A 83 7.011 12.257 8.146 1.00 0.00 C ATOM 1352 NE ARG A 83 7.200 13.297 7.139 1.00 0.00 N ATOM 1353 CZ ARG A 83 8.391 13.751 6.763 1.00 0.00 C ATOM 1354 NH1 ARG A 83 9.492 13.266 7.319 1.00 0.00 N ATOM 1355 NH2 ARG A 83 8.482 14.693 5.834 1.00 0.00 N ATOM 0 H ARG A 83 3.222 11.160 5.425 1.00 0.00 H new ATOM 0 HA ARG A 83 4.214 9.130 7.203 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.976 10.418 6.653 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.966 11.769 6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.916 12.666 8.367 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.432 11.160 9.100 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.329 12.632 9.119 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.647 11.404 7.910 1.00 0.00 H new ATOM 0 HE ARG A 83 6.371 13.698 6.699 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.426 12.544 8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.406 13.615 7.030 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.637 15.071 5.406 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.397 15.040 5.547 1.00 0.00 H new ATOM 1369 N GLU A 84 2.275 11.503 8.344 1.00 0.00 N ATOM 1370 CA GLU A 84 1.495 11.915 9.490 1.00 0.00 C ATOM 1371 C GLU A 84 0.565 10.798 9.907 1.00 0.00 C ATOM 1372 O GLU A 84 0.508 10.442 11.079 1.00 0.00 O ATOM 1373 CB GLU A 84 0.695 13.171 9.160 1.00 0.00 C ATOM 1374 CG GLU A 84 1.423 14.140 8.246 1.00 0.00 C ATOM 1375 CD GLU A 84 2.797 14.517 8.765 1.00 0.00 C ATOM 1376 OE1 GLU A 84 3.433 13.672 9.429 1.00 0.00 O ATOM 1377 OE2 GLU A 84 3.236 15.657 8.506 1.00 0.00 O ATOM 0 H GLU A 84 2.089 12.033 7.492 1.00 0.00 H new ATOM 0 HA GLU A 84 2.171 12.140 10.315 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.244 12.879 8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.441 13.683 10.088 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.523 13.694 7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.823 15.043 8.129 1.00 0.00 H new ATOM 1384 N LYS A 85 -0.148 10.234 8.940 1.00 0.00 N ATOM 1385 CA LYS A 85 -1.056 9.143 9.215 1.00 0.00 C ATOM 1386 C LYS A 85 -0.270 7.885 9.577 1.00 0.00 C ATOM 1387 O LYS A 85 -0.794 6.976 10.224 1.00 0.00 O ATOM 1388 CB LYS A 85 -1.979 8.936 8.001 1.00 0.00 C ATOM 1389 CG LYS A 85 -1.882 7.579 7.317 1.00 0.00 C ATOM 1390 CD LYS A 85 -1.341 7.715 5.906 1.00 0.00 C ATOM 1391 CE LYS A 85 -2.242 8.586 5.047 1.00 0.00 C ATOM 1392 NZ LYS A 85 -3.270 7.783 4.329 1.00 0.00 N ATOM 0 H LYS A 85 -0.111 10.518 7.961 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.685 9.379 10.074 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.010 9.087 8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.758 9.709 7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.234 6.922 7.896 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.866 7.112 7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.340 8.146 5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.249 6.728 5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.735 9.329 5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.637 9.132 4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.144 7.896 3.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.166 6.780 4.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.219 8.112 4.600 1.00 0.00 H new ATOM 1406 N LEU A 86 0.995 7.840 9.163 1.00 0.00 N ATOM 1407 CA LEU A 86 1.845 6.693 9.453 1.00 0.00 C ATOM 1408 C LEU A 86 2.377 6.756 10.869 1.00 0.00 C ATOM 1409 O LEU A 86 2.050 5.917 11.708 1.00 0.00 O ATOM 1410 CB LEU A 86 3.010 6.615 8.470 1.00 0.00 C ATOM 1411 CG LEU A 86 3.043 5.325 7.667 1.00 0.00 C ATOM 1412 CD1 LEU A 86 4.387 5.131 6.982 1.00 0.00 C ATOM 1413 CD2 LEU A 86 2.724 4.157 8.585 1.00 0.00 C ATOM 0 H LEU A 86 1.449 8.581 8.629 1.00 0.00 H new ATOM 0 HA LEU A 86 1.233 5.797 9.347 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.952 7.459 7.783 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.946 6.715 9.020 1.00 0.00 H new ATOM 0 HG LEU A 86 2.291 5.380 6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.376 4.199 6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.574 5.964 6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.176 5.090 7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.746 3.229 8.014 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.464 4.109 9.384 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.732 4.294 9.017 1.00 0.00 H new ATOM 1425 N LYS A 87 3.190 7.765 11.133 1.00 0.00 N ATOM 1426 CA LYS A 87 3.755 7.945 12.453 1.00 0.00 C ATOM 1427 C LYS A 87 2.632 7.969 13.464 1.00 0.00 C ATOM 1428 O LYS A 87 2.835 7.671 14.641 1.00 0.00 O ATOM 1429 CB LYS A 87 4.595 9.221 12.519 1.00 0.00 C ATOM 1430 CG LYS A 87 6.071 8.988 12.238 1.00 0.00 C ATOM 1431 CD LYS A 87 6.494 9.631 10.928 1.00 0.00 C ATOM 1432 CE LYS A 87 7.993 9.511 10.704 1.00 0.00 C ATOM 1433 NZ LYS A 87 8.670 10.836 10.760 1.00 0.00 N ATOM 0 H LYS A 87 3.471 8.469 10.450 1.00 0.00 H new ATOM 0 HA LYS A 87 4.423 7.115 12.682 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.205 9.941 11.800 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.487 9.667 13.508 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.667 9.396 13.054 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.271 7.917 12.201 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.963 9.158 10.102 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.209 10.683 10.930 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.421 8.852 11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.179 9.049 9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.844 11.178 9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.064 11.515 11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.576 10.742 11.263 1.00 0.00 H new ATOM 1447 N LYS A 88 1.428 8.275 12.989 1.00 0.00 N ATOM 1448 CA LYS A 88 0.278 8.269 13.860 1.00 0.00 C ATOM 1449 C LYS A 88 -0.002 6.829 14.257 1.00 0.00 C ATOM 1450 O LYS A 88 -0.299 6.528 15.413 1.00 0.00 O ATOM 1451 CB LYS A 88 -0.936 8.911 13.169 1.00 0.00 C ATOM 1452 CG LYS A 88 -2.137 7.992 12.985 1.00 0.00 C ATOM 1453 CD LYS A 88 -2.929 8.383 11.754 1.00 0.00 C ATOM 1454 CE LYS A 88 -4.420 8.166 11.954 1.00 0.00 C ATOM 1455 NZ LYS A 88 -4.875 6.866 11.387 1.00 0.00 N ATOM 0 H LYS A 88 1.234 8.525 12.019 1.00 0.00 H new ATOM 0 HA LYS A 88 0.477 8.862 14.753 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.248 9.779 13.750 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.626 9.277 12.191 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.800 6.959 12.894 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.777 8.042 13.866 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.742 9.431 11.518 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.587 7.798 10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.652 8.198 13.019 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.971 8.980 11.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.897 6.757 11.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.678 6.844 10.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.368 6.087 11.854 1.00 0.00 H new ATOM 1469 N ALA A 89 0.115 5.943 13.271 1.00 0.00 N ATOM 1470 CA ALA A 89 -0.102 4.525 13.486 1.00 0.00 C ATOM 1471 C ALA A 89 1.088 3.899 14.204 1.00 0.00 C ATOM 1472 O ALA A 89 0.997 2.784 14.709 1.00 0.00 O ATOM 1473 CB ALA A 89 -0.351 3.822 12.163 1.00 0.00 C ATOM 0 H ALA A 89 0.360 6.189 12.312 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.983 4.405 14.116 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.512 2.759 12.341 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.233 4.248 11.685 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.513 3.954 11.512 1.00 0.00 H new ATOM 1479 N ARG A 90 2.199 4.633 14.275 1.00 0.00 N ATOM 1480 CA ARG A 90 3.379 4.147 14.961 1.00 0.00 C ATOM 1481 C ARG A 90 3.171 4.373 16.438 1.00 0.00 C ATOM 1482 O ARG A 90 3.591 3.586 17.286 1.00 0.00 O ATOM 1483 CB ARG A 90 4.627 4.889 14.456 1.00 0.00 C ATOM 1484 CG ARG A 90 5.614 5.266 15.550 1.00 0.00 C ATOM 1485 CD ARG A 90 6.938 5.743 14.975 1.00 0.00 C ATOM 1486 NE ARG A 90 7.533 6.804 15.783 1.00 0.00 N ATOM 1487 CZ ARG A 90 8.233 6.583 16.892 1.00 0.00 C ATOM 1488 NH1 ARG A 90 8.435 5.342 17.314 1.00 0.00 N ATOM 1489 NH2 ARG A 90 8.732 7.602 17.579 1.00 0.00 N ATOM 0 H ARG A 90 2.299 5.562 13.865 1.00 0.00 H new ATOM 0 HA ARG A 90 3.533 3.086 14.767 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.136 4.263 13.723 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.312 5.795 13.938 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.184 6.051 16.173 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.787 4.405 16.196 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.630 4.903 14.912 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.783 6.105 13.959 1.00 0.00 H new ATOM 0 HE ARG A 90 7.404 7.769 15.480 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.053 4.556 16.788 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.972 5.174 18.165 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.579 8.558 17.257 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.269 7.430 18.429 1.00 0.00 H new ATOM 1503 N GLU A 91 2.486 5.463 16.712 1.00 0.00 N ATOM 1504 CA GLU A 91 2.152 5.854 18.060 1.00 0.00 C ATOM 1505 C GLU A 91 1.109 4.902 18.643 1.00 0.00 C ATOM 1506 O GLU A 91 1.169 4.538 19.817 1.00 0.00 O ATOM 1507 CB GLU A 91 1.612 7.280 18.032 1.00 0.00 C ATOM 1508 CG GLU A 91 2.689 8.341 18.173 1.00 0.00 C ATOM 1509 CD GLU A 91 2.752 8.931 19.569 1.00 0.00 C ATOM 1510 OE1 GLU A 91 3.200 8.222 20.494 1.00 0.00 O ATOM 1511 OE2 GLU A 91 2.353 10.103 19.737 1.00 0.00 O ATOM 0 H GLU A 91 2.144 6.106 15.998 1.00 0.00 H new ATOM 0 HA GLU A 91 3.040 5.809 18.690 1.00 0.00 H new ATOM 0 HB2 GLU A 91 1.078 7.439 17.095 1.00 0.00 H new ATOM 0 HB3 GLU A 91 0.887 7.401 18.837 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.657 7.906 17.923 1.00 0.00 H new ATOM 0 HG3 GLU A 91 2.503 9.139 17.454 1.00 0.00 H new ATOM 1518 N GLU A 92 0.147 4.514 17.807 1.00 0.00 N ATOM 1519 CA GLU A 92 -0.925 3.614 18.224 1.00 0.00 C ATOM 1520 C GLU A 92 -0.588 2.143 17.965 1.00 0.00 C ATOM 1521 O GLU A 92 -0.610 1.326 18.886 1.00 0.00 O ATOM 1522 CB GLU A 92 -2.225 3.978 17.507 1.00 0.00 C ATOM 1523 CG GLU A 92 -3.116 4.913 18.307 1.00 0.00 C ATOM 1524 CD GLU A 92 -4.445 4.280 18.671 1.00 0.00 C ATOM 1525 OE1 GLU A 92 -4.520 3.034 18.701 1.00 0.00 O ATOM 1526 OE2 GLU A 92 -5.410 5.031 18.926 1.00 0.00 O ATOM 0 H GLU A 92 0.089 4.811 16.833 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.046 3.738 19.300 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.985 4.446 16.552 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.777 3.064 17.285 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.598 5.212 19.218 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.295 5.820 17.730 1.00 0.00 H new ATOM 1533 N ALA A 93 -0.302 1.801 16.708 1.00 0.00 N ATOM 1534 CA ALA A 93 0.008 0.419 16.349 1.00 0.00 C ATOM 1535 C ALA A 93 1.104 -0.156 17.240 1.00 0.00 C ATOM 1536 O ALA A 93 1.210 -1.372 17.400 1.00 0.00 O ATOM 1537 CB ALA A 93 0.402 0.318 14.880 1.00 0.00 C ATOM 0 H ALA A 93 -0.279 2.457 15.928 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.893 -0.173 16.507 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.629 -0.720 14.635 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.422 0.667 14.257 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.282 0.935 14.696 1.00 0.00 H new ATOM 1543 N MET A 94 1.914 0.721 17.823 1.00 0.00 N ATOM 1544 CA MET A 94 2.996 0.290 18.702 1.00 0.00 C ATOM 1545 C MET A 94 2.514 0.183 20.145 1.00 0.00 C ATOM 1546 O MET A 94 2.495 1.171 20.878 1.00 0.00 O ATOM 1547 CB MET A 94 4.172 1.264 18.619 1.00 0.00 C ATOM 1548 CG MET A 94 5.411 0.785 19.361 1.00 0.00 C ATOM 1549 SD MET A 94 5.819 1.821 20.779 1.00 0.00 S ATOM 1550 CE MET A 94 7.151 0.877 21.517 1.00 0.00 C ATOM 0 H MET A 94 1.843 1.731 17.704 1.00 0.00 H new ATOM 0 HA MET A 94 3.326 -0.695 18.371 1.00 0.00 H new ATOM 0 HB2 MET A 94 4.426 1.426 17.571 1.00 0.00 H new ATOM 0 HB3 MET A 94 3.865 2.228 19.025 1.00 0.00 H new ATOM 0 HG2 MET A 94 5.254 -0.239 19.698 1.00 0.00 H new ATOM 0 HG3 MET A 94 6.257 0.768 18.674 1.00 0.00 H new ATOM 0 HE1 MET A 94 7.535 1.409 22.388 1.00 0.00 H new ATOM 0 HE2 MET A 94 6.778 -0.100 21.824 1.00 0.00 H new ATOM 0 HE3 MET A 94 7.952 0.748 20.789 1.00 0.00 H new