USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 818 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 12 HIS HE2 : A 12 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HE2 : B 12 HIS NE2 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Set 1.1: B 50 MET CE :methyl 171:sc= 0 (180deg=0) USER MOD Set 1.2: B 51 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.48) USER MOD Set 2.1: A 50 MET CE :methyl 167:sc= 0 (180deg=0) USER MOD Set 2.2: A 51 HIS : no HD1:sc= -0.102 K(o=-0.1,f=-0.71) USER MOD Single : A 1 PHE N :NH3+ -120:sc= 1.04 (180deg=0.994) USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= -0.0953 (180deg=-0.578) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ 152:sc= -0.374 (180deg=-1.53!) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.506 USER MOD Single : A 17 SER OG : rot 180:sc= -0.488 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 22 MET CE :methyl -162:sc= -0.672 (180deg=-2.34) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.142 K(o=-0.14,f=-2.4!) USER MOD Single : A 34 LYS NZ :NH3+ 153:sc= -0.183 (180deg=-1.25!) USER MOD Single : A 39 SER OG : rot 74:sc= 0.0283 USER MOD Single : A 42 LYS NZ :NH3+ -161:sc= -0.0674 (180deg=-0.568) USER MOD Single : A 44 GLN : amide:sc= -1.06 K(o=-1.1,f=-1.6!) USER MOD Single : A 46 LYS NZ :NH3+ 133:sc= -0.0768 (180deg=-0.606) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : B 1 PHE N :NH3+ -170:sc= 1.23 (180deg=0.986) USER MOD Single : B 7 LYS NZ :NH3+ 159:sc= -0.12 (180deg=-0.672) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 14 LYS NZ :NH3+ 152:sc= -0.324 (180deg=-1.35!) USER MOD Single : B 15 TYR OH : rot 30:sc= -0.429 USER MOD Single : B 17 SER OG : rot -170:sc= -0.581 USER MOD Single : B 18 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : B 22 MET CE :methyl -162:sc= -0.578 (180deg=-2.32) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.128 K(o=-0.13,f=-2.4!) USER MOD Single : B 34 LYS NZ :NH3+ 138:sc= -0.347 (180deg=-1.25!) USER MOD Single : B 39 SER OG : rot 180:sc= -0.024 USER MOD Single : B 42 LYS NZ :NH3+ -163:sc= -0.077 (180deg=-0.599) USER MOD Single : B 44 GLN :FLIP amide:sc= -0.985 F(o=-1.6!,f=-0.99) USER MOD Single : B 46 LYS NZ :NH3+ 157:sc= -0.11 (180deg=-0.665) USER MOD Single : B 53 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.716 -3.461 23.997 1.00 0.00 N ATOM 2 CA PHE A 1 94.849 -4.078 25.040 1.00 0.00 C ATOM 3 C PHE A 1 94.265 -2.978 25.934 1.00 0.00 C ATOM 4 O PHE A 1 93.081 -2.722 25.933 1.00 0.00 O ATOM 5 CB PHE A 1 95.675 -5.044 25.905 1.00 0.00 C ATOM 6 CG PHE A 1 95.939 -6.328 25.148 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.922 -6.355 24.154 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.210 -7.495 25.452 1.00 0.00 C ATOM 9 CE1 PHE A 1 97.179 -7.542 23.457 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.472 -8.678 24.752 1.00 0.00 C ATOM 11 CZ PHE A 1 96.455 -8.703 23.755 1.00 0.00 C ATOM 0 H1 PHE A 1 95.346 -3.696 23.054 1.00 0.00 H new ATOM 0 H2 PHE A 1 95.723 -2.428 24.118 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.685 -3.827 24.090 1.00 0.00 H new ATOM 0 HA PHE A 1 94.043 -4.627 24.553 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.620 -4.577 26.184 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.142 -5.262 26.830 1.00 0.00 H new ATOM 0 HD1 PHE A 1 97.483 -5.461 23.924 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.453 -7.476 26.222 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.937 -7.562 22.688 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.915 -9.574 24.981 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.655 -9.617 23.216 1.00 0.00 H new ATOM 23 N LEU A 2 95.099 -2.345 26.707 1.00 0.00 N ATOM 24 CA LEU A 2 94.624 -1.278 27.636 1.00 0.00 C ATOM 25 C LEU A 2 94.207 -0.015 26.876 1.00 0.00 C ATOM 26 O LEU A 2 93.502 0.819 27.401 1.00 0.00 O ATOM 27 CB LEU A 2 95.771 -0.917 28.582 1.00 0.00 C ATOM 28 CG LEU A 2 96.374 -2.187 29.196 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.343 -1.786 30.307 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.260 -3.065 29.783 1.00 0.00 C ATOM 0 H LEU A 2 96.103 -2.522 26.737 1.00 0.00 H new ATOM 0 HA LEU A 2 93.758 -1.654 28.181 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.540 -0.367 28.039 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.407 -0.260 29.372 1.00 0.00 H new ATOM 0 HG LEU A 2 96.900 -2.750 28.425 1.00 0.00 H new ATOM 0 HD11 LEU A 2 97.778 -2.681 30.751 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.136 -1.165 29.891 1.00 0.00 H new ATOM 0 HD13 LEU A 2 96.807 -1.225 31.073 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.696 -3.965 30.217 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.729 -2.510 30.556 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.563 -3.345 28.993 1.00 0.00 H new ATOM 42 N ASP A 3 94.653 0.150 25.672 1.00 0.00 N ATOM 43 CA ASP A 3 94.294 1.384 24.915 1.00 0.00 C ATOM 44 C ASP A 3 92.796 1.415 24.576 1.00 0.00 C ATOM 45 O ASP A 3 92.065 2.276 25.043 1.00 0.00 O ATOM 46 CB ASP A 3 95.120 1.433 23.628 1.00 0.00 C ATOM 47 CG ASP A 3 95.002 0.103 22.882 1.00 0.00 C ATOM 48 OD1 ASP A 3 94.912 -0.921 23.540 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.014 0.129 21.663 1.00 0.00 O ATOM 0 H ASP A 3 95.250 -0.510 25.174 1.00 0.00 H new ATOM 0 HA ASP A 3 94.512 2.253 25.536 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.772 2.248 22.993 1.00 0.00 H new ATOM 0 HB3 ASP A 3 96.165 1.636 23.864 1.00 0.00 H new ATOM 54 N GLY A 4 92.332 0.507 23.767 1.00 0.00 N ATOM 55 CA GLY A 4 90.882 0.506 23.393 1.00 0.00 C ATOM 56 C GLY A 4 90.016 0.321 24.641 1.00 0.00 C ATOM 57 O GLY A 4 88.982 0.937 24.790 1.00 0.00 O ATOM 0 H GLY A 4 92.889 -0.236 23.346 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.625 1.443 22.899 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.683 -0.295 22.681 1.00 0.00 H new ATOM 61 N ILE A 5 90.433 -0.533 25.529 1.00 0.00 N ATOM 62 CA ILE A 5 89.639 -0.776 26.763 1.00 0.00 C ATOM 63 C ILE A 5 89.490 0.523 27.550 1.00 0.00 C ATOM 64 O ILE A 5 88.437 0.808 28.091 1.00 0.00 O ATOM 65 CB ILE A 5 90.356 -1.816 27.618 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.373 -3.153 26.866 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.620 -1.981 28.952 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.308 -4.137 27.572 1.00 0.00 C ATOM 0 H ILE A 5 91.293 -1.076 25.454 1.00 0.00 H new ATOM 0 HA ILE A 5 88.648 -1.140 26.493 1.00 0.00 H new ATOM 0 HB ILE A 5 91.378 -1.492 27.814 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.365 -3.566 26.818 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.703 -2.998 25.839 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.134 -2.724 29.561 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.605 -1.027 29.479 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.597 -2.309 28.765 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.315 -5.084 27.032 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.317 -3.726 27.596 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.959 -4.303 28.591 1.00 0.00 H new ATOM 80 N ASP A 6 90.523 1.322 27.631 1.00 0.00 N ATOM 81 CA ASP A 6 90.391 2.589 28.394 1.00 0.00 C ATOM 82 C ASP A 6 89.203 3.364 27.828 1.00 0.00 C ATOM 83 O ASP A 6 88.373 3.867 28.560 1.00 0.00 O ATOM 84 CB ASP A 6 91.670 3.422 28.265 1.00 0.00 C ATOM 85 CG ASP A 6 91.613 4.601 29.238 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.560 4.810 29.820 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.619 5.275 29.385 1.00 0.00 O ATOM 0 H ASP A 6 91.436 1.153 27.208 1.00 0.00 H new ATOM 0 HA ASP A 6 90.232 2.373 29.450 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.542 2.804 28.477 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.778 3.785 27.243 1.00 0.00 H new ATOM 92 N LYS A 7 89.097 3.441 26.529 1.00 0.00 N ATOM 93 CA LYS A 7 87.939 4.161 25.924 1.00 0.00 C ATOM 94 C LYS A 7 86.661 3.360 26.180 1.00 0.00 C ATOM 95 O LYS A 7 85.638 3.897 26.564 1.00 0.00 O ATOM 96 CB LYS A 7 88.163 4.306 24.416 1.00 0.00 C ATOM 97 CG LYS A 7 87.094 5.222 23.810 1.00 0.00 C ATOM 98 CD LYS A 7 87.336 5.343 22.304 1.00 0.00 C ATOM 99 CE LYS A 7 86.296 6.275 21.680 1.00 0.00 C ATOM 100 NZ LYS A 7 86.430 7.642 22.263 1.00 0.00 N ATOM 0 H LYS A 7 89.758 3.039 25.864 1.00 0.00 H new ATOM 0 HA LYS A 7 87.844 5.151 26.371 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.155 4.716 24.226 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.126 3.326 23.939 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.100 4.817 24.000 1.00 0.00 H new ATOM 0 HG3 LYS A 7 87.132 6.206 24.278 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.339 5.728 22.118 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.281 4.359 21.838 1.00 0.00 H new ATOM 0 HE2 LYS A 7 86.432 6.315 20.599 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.293 5.889 21.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 85.999 8.337 21.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.948 7.676 23.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 87.437 7.867 22.391 1.00 0.00 H new ATOM 114 N ALA A 8 86.716 2.070 25.983 1.00 0.00 N ATOM 115 CA ALA A 8 85.514 1.221 26.223 1.00 0.00 C ATOM 116 C ALA A 8 85.152 1.258 27.705 1.00 0.00 C ATOM 117 O ALA A 8 83.995 1.201 28.075 1.00 0.00 O ATOM 118 CB ALA A 8 85.811 -0.219 25.791 1.00 0.00 C ATOM 0 H ALA A 8 87.544 1.567 25.665 1.00 0.00 H new ATOM 0 HA ALA A 8 84.674 1.602 25.641 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.933 -0.840 25.966 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.062 -0.236 24.730 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.650 -0.606 26.369 1.00 0.00 H new ATOM 124 N GLN A 9 86.135 1.346 28.555 1.00 0.00 N ATOM 125 CA GLN A 9 85.846 1.385 30.007 1.00 0.00 C ATOM 126 C GLN A 9 84.935 2.574 30.307 1.00 0.00 C ATOM 127 O GLN A 9 83.999 2.470 31.078 1.00 0.00 O ATOM 128 CB GLN A 9 87.158 1.537 30.775 1.00 0.00 C ATOM 129 CG GLN A 9 86.908 1.346 32.269 1.00 0.00 C ATOM 130 CD GLN A 9 88.219 1.542 33.029 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.279 1.584 32.435 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.194 1.677 34.326 1.00 0.00 N ATOM 0 H GLN A 9 87.123 1.392 28.304 1.00 0.00 H new ATOM 0 HA GLN A 9 85.351 0.463 30.312 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.884 0.804 30.422 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.585 2.523 30.592 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.161 2.059 32.619 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.510 0.349 32.458 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.305 1.642 34.825 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.063 1.818 34.841 1.00 0.00 H new ATOM 141 N GLU A 10 85.196 3.701 29.704 1.00 0.00 N ATOM 142 CA GLU A 10 84.332 4.885 29.957 1.00 0.00 C ATOM 143 C GLU A 10 82.894 4.565 29.550 1.00 0.00 C ATOM 144 O GLU A 10 81.954 4.916 30.232 1.00 0.00 O ATOM 145 CB GLU A 10 84.837 6.076 29.138 1.00 0.00 C ATOM 146 CG GLU A 10 84.076 7.333 29.563 1.00 0.00 C ATOM 147 CD GLU A 10 84.551 8.537 28.750 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.471 8.371 27.966 1.00 0.00 O ATOM 149 OE2 GLU A 10 83.978 9.599 28.917 1.00 0.00 O ATOM 0 H GLU A 10 85.965 3.852 29.051 1.00 0.00 H new ATOM 0 HA GLU A 10 84.365 5.133 31.018 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.907 6.213 29.294 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.691 5.890 28.074 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.006 7.186 29.417 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.231 7.519 30.626 1.00 0.00 H new ATOM 156 N GLU A 11 82.718 3.879 28.452 1.00 0.00 N ATOM 157 CA GLU A 11 81.339 3.534 28.016 1.00 0.00 C ATOM 158 C GLU A 11 80.685 2.681 29.104 1.00 0.00 C ATOM 159 O GLU A 11 79.530 2.860 29.442 1.00 0.00 O ATOM 160 CB GLU A 11 81.413 2.735 26.706 1.00 0.00 C ATOM 161 CG GLU A 11 80.043 2.735 26.016 1.00 0.00 C ATOM 162 CD GLU A 11 79.848 4.063 25.279 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.526 5.015 25.629 1.00 0.00 O ATOM 164 OE2 GLU A 11 79.035 4.104 24.373 1.00 0.00 O ATOM 0 H GLU A 11 83.466 3.546 27.844 1.00 0.00 H new ATOM 0 HA GLU A 11 80.753 4.439 27.854 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.162 3.171 26.046 1.00 0.00 H new ATOM 0 HB3 GLU A 11 81.726 1.711 26.911 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.976 1.903 25.315 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.252 2.595 26.753 1.00 0.00 H new ATOM 171 N HIS A 12 81.422 1.767 29.667 1.00 0.00 N ATOM 172 CA HIS A 12 80.847 0.914 30.742 1.00 0.00 C ATOM 173 C HIS A 12 80.419 1.782 31.927 1.00 0.00 C ATOM 174 O HIS A 12 79.345 1.633 32.461 1.00 0.00 O ATOM 175 CB HIS A 12 81.895 -0.093 31.223 1.00 0.00 C ATOM 176 CG HIS A 12 81.243 -0.961 32.258 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.883 -2.290 32.004 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.768 -0.669 33.506 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.202 -2.735 33.080 1.00 0.00 C ATOM 180 NE2 HIS A 12 80.120 -1.780 33.994 1.00 0.00 N ATOM 0 H HIS A 12 82.395 1.574 29.430 1.00 0.00 H new ATOM 0 HA HIS A 12 79.982 0.386 30.341 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.258 -0.696 30.391 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.758 0.423 31.644 1.00 0.00 H new ATOM 0 HD1 HIS A 12 81.096 -2.823 31.161 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.882 0.273 34.021 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.784 -3.726 33.181 1.00 0.00 H new ATOM 188 N GLU A 13 81.264 2.683 32.354 1.00 0.00 N ATOM 189 CA GLU A 13 80.907 3.551 33.519 1.00 0.00 C ATOM 190 C GLU A 13 79.647 4.372 33.209 1.00 0.00 C ATOM 191 O GLU A 13 78.795 4.559 34.048 1.00 0.00 O ATOM 192 CB GLU A 13 82.077 4.499 33.819 1.00 0.00 C ATOM 193 CG GLU A 13 81.834 5.242 35.141 1.00 0.00 C ATOM 194 CD GLU A 13 82.026 4.287 36.322 1.00 0.00 C ATOM 195 OE1 GLU A 13 82.338 3.132 36.081 1.00 0.00 O ATOM 196 OE2 GLU A 13 81.867 4.730 37.449 1.00 0.00 O ATOM 0 H GLU A 13 82.184 2.857 31.949 1.00 0.00 H new ATOM 0 HA GLU A 13 80.708 2.920 34.385 1.00 0.00 H new ATOM 0 HB2 GLU A 13 83.007 3.933 33.877 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.191 5.216 33.006 1.00 0.00 H new ATOM 0 HG2 GLU A 13 82.522 6.083 35.227 1.00 0.00 H new ATOM 0 HG3 GLU A 13 80.825 5.654 35.156 1.00 0.00 H new ATOM 203 N LYS A 14 79.544 4.887 32.018 1.00 0.00 N ATOM 204 CA LYS A 14 78.360 5.723 31.654 1.00 0.00 C ATOM 205 C LYS A 14 77.042 4.951 31.748 1.00 0.00 C ATOM 206 O LYS A 14 76.024 5.518 32.088 1.00 0.00 O ATOM 207 CB LYS A 14 78.521 6.245 30.222 1.00 0.00 C ATOM 208 CG LYS A 14 79.652 7.277 30.174 1.00 0.00 C ATOM 209 CD LYS A 14 79.948 7.678 28.720 1.00 0.00 C ATOM 210 CE LYS A 14 78.921 8.707 28.231 1.00 0.00 C ATOM 211 NZ LYS A 14 78.905 9.868 29.162 1.00 0.00 N ATOM 0 H LYS A 14 80.231 4.766 31.274 1.00 0.00 H new ATOM 0 HA LYS A 14 78.319 6.545 32.369 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.740 5.419 29.546 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.589 6.696 29.882 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.374 8.158 30.752 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.550 6.864 30.634 1.00 0.00 H new ATOM 0 HD2 LYS A 14 80.953 8.095 28.648 1.00 0.00 H new ATOM 0 HD3 LYS A 14 79.922 6.796 28.080 1.00 0.00 H new ATOM 0 HE2 LYS A 14 79.172 9.038 27.223 1.00 0.00 H new ATOM 0 HE3 LYS A 14 77.931 8.254 28.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 78.616 10.723 28.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 78.231 9.685 29.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.856 10.008 29.559 1.00 0.00 H new ATOM 225 N TYR A 15 77.025 3.687 31.390 1.00 0.00 N ATOM 226 CA TYR A 15 75.727 2.922 31.399 1.00 0.00 C ATOM 227 C TYR A 15 75.866 1.522 32.035 1.00 0.00 C ATOM 228 O TYR A 15 74.898 0.801 32.138 1.00 0.00 O ATOM 229 CB TYR A 15 75.281 2.758 29.942 1.00 0.00 C ATOM 230 CG TYR A 15 75.486 4.054 29.184 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.478 5.025 29.175 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.677 4.274 28.473 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.659 6.216 28.459 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.853 5.465 27.756 1.00 0.00 C ATOM 235 CZ TYR A 15 75.843 6.433 27.749 1.00 0.00 C ATOM 236 OH TYR A 15 76.013 7.605 27.032 1.00 0.00 O ATOM 0 H TYR A 15 77.843 3.154 31.094 1.00 0.00 H new ATOM 0 HA TYR A 15 75.003 3.477 31.996 1.00 0.00 H new ATOM 0 HB2 TYR A 15 75.849 1.957 29.468 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.231 2.469 29.906 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.561 4.856 29.720 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.456 3.526 28.479 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.883 6.967 28.456 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.768 5.636 27.209 1.00 0.00 H new ATOM 0 HH TYR A 15 75.513 8.329 27.465 1.00 0.00 H new ATOM 246 N HIS A 16 77.047 1.110 32.415 1.00 0.00 N ATOM 247 CA HIS A 16 77.214 -0.263 32.985 1.00 0.00 C ATOM 248 C HIS A 16 76.664 -1.254 31.961 1.00 0.00 C ATOM 249 O HIS A 16 75.852 -2.102 32.273 1.00 0.00 O ATOM 250 CB HIS A 16 76.459 -0.428 34.322 1.00 0.00 C ATOM 251 CG HIS A 16 77.153 0.325 35.433 1.00 0.00 C ATOM 252 ND1 HIS A 16 78.258 -0.161 36.121 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.884 1.540 36.037 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.618 0.710 37.070 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.809 1.774 37.064 1.00 0.00 N ATOM 0 H HIS A 16 77.903 1.662 32.356 1.00 0.00 H new ATOM 0 HA HIS A 16 78.270 -0.441 33.189 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.437 -0.064 34.214 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.395 -1.485 34.579 1.00 0.00 H new ATOM 0 HD2 HIS A 16 76.082 2.208 35.759 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.448 0.573 37.748 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.855 2.587 37.679 1.00 0.00 H new ATOM 263 N SER A 17 77.084 -1.127 30.732 1.00 0.00 N ATOM 264 CA SER A 17 76.573 -2.032 29.666 1.00 0.00 C ATOM 265 C SER A 17 77.098 -3.457 29.865 1.00 0.00 C ATOM 266 O SER A 17 78.143 -3.671 30.447 1.00 0.00 O ATOM 267 CB SER A 17 77.010 -1.512 28.296 1.00 0.00 C ATOM 268 OG SER A 17 78.427 -1.407 28.251 1.00 0.00 O ATOM 0 H SER A 17 77.762 -0.432 30.420 1.00 0.00 H new ATOM 0 HA SER A 17 75.485 -2.052 29.722 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.661 -2.185 27.513 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.558 -0.539 28.105 1.00 0.00 H new ATOM 0 HG SER A 17 78.703 -1.075 27.371 1.00 0.00 H new ATOM 274 N ASN A 18 76.378 -4.432 29.378 1.00 0.00 N ATOM 275 CA ASN A 18 76.826 -5.846 29.526 1.00 0.00 C ATOM 276 C ASN A 18 78.001 -6.096 28.581 1.00 0.00 C ATOM 277 O ASN A 18 78.163 -5.416 27.590 1.00 0.00 O ATOM 278 CB ASN A 18 75.671 -6.784 29.170 1.00 0.00 C ATOM 279 CG ASN A 18 74.489 -6.497 30.094 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.674 -6.168 31.246 1.00 0.00 O ATOM 281 ND2 ASN A 18 73.271 -6.612 29.637 1.00 0.00 N ATOM 0 H ASN A 18 75.495 -4.309 28.882 1.00 0.00 H new ATOM 0 HA ASN A 18 77.136 -6.032 30.554 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.378 -6.641 28.130 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.985 -7.823 29.273 1.00 0.00 H new ATOM 0 HD21 ASN A 18 72.477 -6.425 30.249 1.00 0.00 H new ATOM 0 HD22 ASN A 18 73.114 -6.889 28.668 1.00 0.00 H new ATOM 288 N TRP A 19 78.830 -7.055 28.884 1.00 0.00 N ATOM 289 CA TRP A 19 79.999 -7.328 28.002 1.00 0.00 C ATOM 290 C TRP A 19 79.529 -7.571 26.565 1.00 0.00 C ATOM 291 O TRP A 19 80.236 -7.276 25.618 1.00 0.00 O ATOM 292 CB TRP A 19 80.768 -8.555 28.516 1.00 0.00 C ATOM 293 CG TRP A 19 80.002 -9.819 28.257 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.210 -10.449 29.155 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.959 -10.623 27.041 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.694 -11.591 28.571 1.00 0.00 N ATOM 297 CE2 TRP A 19 79.123 -11.739 27.268 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.560 -10.492 25.775 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.892 -12.692 26.277 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.328 -11.451 24.774 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.498 -12.549 25.028 1.00 0.00 C ATOM 0 H TRP A 19 78.750 -7.660 29.701 1.00 0.00 H new ATOM 0 HA TRP A 19 80.661 -6.462 28.015 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.741 -8.609 28.028 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.953 -8.451 29.585 1.00 0.00 H new ATOM 0 HD1 TRP A 19 79.013 -10.115 30.163 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.072 -12.245 29.046 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.204 -9.649 25.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.248 -13.536 26.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.792 -11.340 23.805 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.326 -13.286 24.257 1.00 0.00 H new ATOM 312 N ARG A 20 78.350 -8.101 26.386 1.00 0.00 N ATOM 313 CA ARG A 20 77.860 -8.357 25.000 1.00 0.00 C ATOM 314 C ARG A 20 77.747 -7.036 24.234 1.00 0.00 C ATOM 315 O ARG A 20 78.076 -6.951 23.069 1.00 0.00 O ATOM 316 CB ARG A 20 76.482 -9.024 25.055 1.00 0.00 C ATOM 317 CG ARG A 20 76.591 -10.398 25.721 1.00 0.00 C ATOM 318 CD ARG A 20 75.203 -11.040 25.795 1.00 0.00 C ATOM 319 NE ARG A 20 74.359 -10.288 26.767 1.00 0.00 N ATOM 320 CZ ARG A 20 73.057 -10.430 26.752 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.501 -11.245 25.901 1.00 0.00 N ATOM 322 NH2 ARG A 20 72.319 -9.749 27.583 1.00 0.00 N ATOM 0 H ARG A 20 77.708 -8.367 27.133 1.00 0.00 H new ATOM 0 HA ARG A 20 78.566 -9.013 24.491 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.787 -8.395 25.611 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.080 -9.130 24.047 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.269 -11.036 25.154 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.011 -10.297 26.722 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.735 -11.035 24.811 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.289 -12.082 26.102 1.00 0.00 H new ATOM 0 HE ARG A 20 74.796 -9.663 27.444 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.080 -11.772 25.247 1.00 0.00 H new ATOM 0 HH12 ARG A 20 71.487 -11.356 25.889 1.00 0.00 H new ATOM 0 HH21 ARG A 20 72.756 -9.106 28.244 1.00 0.00 H new ATOM 0 HH22 ARG A 20 71.305 -9.859 27.572 1.00 0.00 H new ATOM 336 N ALA A 21 77.278 -6.007 24.881 1.00 0.00 N ATOM 337 CA ALA A 21 77.134 -4.694 24.191 1.00 0.00 C ATOM 338 C ALA A 21 78.522 -4.106 23.932 1.00 0.00 C ATOM 339 O ALA A 21 78.833 -3.675 22.834 1.00 0.00 O ATOM 340 CB ALA A 21 76.313 -3.753 25.083 1.00 0.00 C ATOM 0 H ALA A 21 76.988 -6.017 25.859 1.00 0.00 H new ATOM 0 HA ALA A 21 76.622 -4.821 23.237 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.201 -2.788 24.588 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.329 -4.186 25.260 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.825 -3.615 26.035 1.00 0.00 H new ATOM 346 N MET A 22 79.358 -4.085 24.932 1.00 0.00 N ATOM 347 CA MET A 22 80.720 -3.525 24.740 1.00 0.00 C ATOM 348 C MET A 22 81.445 -4.318 23.662 1.00 0.00 C ATOM 349 O MET A 22 82.145 -3.767 22.840 1.00 0.00 O ATOM 350 CB MET A 22 81.504 -3.622 26.046 1.00 0.00 C ATOM 351 CG MET A 22 80.922 -2.643 27.065 1.00 0.00 C ATOM 352 SD MET A 22 82.037 -2.522 28.485 1.00 0.00 S ATOM 353 CE MET A 22 81.742 -4.176 29.156 1.00 0.00 C ATOM 0 H MET A 22 79.156 -4.431 25.870 1.00 0.00 H new ATOM 0 HA MET A 22 80.641 -2.480 24.439 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.458 -4.639 26.436 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.556 -3.396 25.869 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.789 -1.662 26.609 1.00 0.00 H new ATOM 0 HG3 MET A 22 79.938 -2.980 27.389 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.073 -4.212 30.194 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.677 -4.404 29.107 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.298 -4.910 28.572 1.00 0.00 H new ATOM 363 N ALA A 23 81.280 -5.604 23.655 1.00 0.00 N ATOM 364 CA ALA A 23 81.962 -6.412 22.615 1.00 0.00 C ATOM 365 C ALA A 23 81.534 -5.912 21.230 1.00 0.00 C ATOM 366 O ALA A 23 82.349 -5.677 20.362 1.00 0.00 O ATOM 367 CB ALA A 23 81.571 -7.879 22.774 1.00 0.00 C ATOM 0 H ALA A 23 80.708 -6.128 24.317 1.00 0.00 H new ATOM 0 HA ALA A 23 83.042 -6.314 22.721 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.072 -8.474 22.010 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.870 -8.230 23.761 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.491 -7.982 22.664 1.00 0.00 H new ATOM 373 N SER A 24 80.253 -5.747 21.021 1.00 0.00 N ATOM 374 CA SER A 24 79.755 -5.263 19.695 1.00 0.00 C ATOM 375 C SER A 24 80.132 -3.797 19.481 1.00 0.00 C ATOM 376 O SER A 24 80.387 -3.371 18.374 1.00 0.00 O ATOM 377 CB SER A 24 78.230 -5.386 19.643 1.00 0.00 C ATOM 378 OG SER A 24 77.771 -4.987 18.358 1.00 0.00 O ATOM 0 H SER A 24 79.526 -5.927 21.714 1.00 0.00 H new ATOM 0 HA SER A 24 80.212 -5.872 18.915 1.00 0.00 H new ATOM 0 HB2 SER A 24 77.929 -6.414 19.847 1.00 0.00 H new ATOM 0 HB3 SER A 24 77.777 -4.763 20.414 1.00 0.00 H new ATOM 0 HG SER A 24 76.795 -5.066 18.320 1.00 0.00 H new ATOM 384 N ASP A 25 80.128 -3.014 20.525 1.00 0.00 N ATOM 385 CA ASP A 25 80.449 -1.566 20.364 1.00 0.00 C ATOM 386 C ASP A 25 81.862 -1.388 19.810 1.00 0.00 C ATOM 387 O ASP A 25 82.103 -0.541 18.971 1.00 0.00 O ATOM 388 CB ASP A 25 80.350 -0.867 21.722 1.00 0.00 C ATOM 389 CG ASP A 25 78.914 -0.945 22.241 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.072 -1.456 21.521 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.677 -0.482 23.344 1.00 0.00 O ATOM 0 H ASP A 25 79.918 -3.311 21.478 1.00 0.00 H new ATOM 0 HA ASP A 25 79.737 -1.127 19.665 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.030 -1.336 22.433 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.656 0.175 21.628 1.00 0.00 H new ATOM 396 N PHE A 26 82.801 -2.182 20.266 1.00 0.00 N ATOM 397 CA PHE A 26 84.215 -2.065 19.773 1.00 0.00 C ATOM 398 C PHE A 26 84.591 -3.302 18.959 1.00 0.00 C ATOM 399 O PHE A 26 85.680 -3.404 18.446 1.00 0.00 O ATOM 400 CB PHE A 26 85.150 -1.949 20.974 1.00 0.00 C ATOM 401 CG PHE A 26 84.816 -0.686 21.731 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.428 0.524 21.380 1.00 0.00 C ATOM 403 CD2 PHE A 26 83.879 -0.723 22.768 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.107 1.697 22.071 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.554 0.453 23.457 1.00 0.00 C ATOM 406 CZ PHE A 26 84.168 1.663 23.108 1.00 0.00 C ATOM 0 H PHE A 26 82.650 -2.911 20.963 1.00 0.00 H new ATOM 0 HA PHE A 26 84.305 -1.182 19.140 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.040 -2.818 21.623 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.188 -1.927 20.643 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.148 0.551 20.576 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.407 -1.656 23.037 1.00 0.00 H new ATOM 0 HE1 PHE A 26 85.584 2.629 21.804 1.00 0.00 H new ATOM 0 HE2 PHE A 26 82.830 0.427 24.258 1.00 0.00 H new ATOM 0 HZ PHE A 26 83.917 2.569 23.639 1.00 0.00 H new ATOM 416 N ASN A 27 83.698 -4.241 18.844 1.00 0.00 N ATOM 417 CA ASN A 27 84.008 -5.472 18.068 1.00 0.00 C ATOM 418 C ASN A 27 85.212 -6.174 18.700 1.00 0.00 C ATOM 419 O ASN A 27 86.149 -6.547 18.022 1.00 0.00 O ATOM 420 CB ASN A 27 84.328 -5.097 16.614 1.00 0.00 C ATOM 421 CG ASN A 27 84.168 -6.323 15.713 1.00 0.00 C ATOM 422 OD1 ASN A 27 83.560 -7.303 16.102 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.696 -6.310 14.522 1.00 0.00 N ATOM 0 H ASN A 27 82.765 -4.210 19.254 1.00 0.00 H new ATOM 0 HA ASN A 27 83.148 -6.142 18.082 1.00 0.00 H new ATOM 0 HB2 ASN A 27 83.663 -4.300 16.280 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.346 -4.714 16.544 1.00 0.00 H new ATOM 0 HD21 ASN A 27 84.600 -7.123 13.913 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.205 -5.487 14.199 1.00 0.00 H new ATOM 430 N LEU A 28 85.184 -6.357 19.994 1.00 0.00 N ATOM 431 CA LEU A 28 86.314 -7.040 20.703 1.00 0.00 C ATOM 432 C LEU A 28 85.825 -8.394 21.212 1.00 0.00 C ATOM 433 O LEU A 28 84.652 -8.559 21.478 1.00 0.00 O ATOM 434 CB LEU A 28 86.734 -6.175 21.896 1.00 0.00 C ATOM 435 CG LEU A 28 87.437 -4.900 21.392 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.570 -3.894 22.544 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.839 -5.245 20.844 1.00 0.00 C ATOM 0 H LEU A 28 84.419 -6.060 20.599 1.00 0.00 H new ATOM 0 HA LEU A 28 87.159 -7.181 20.029 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.860 -5.909 22.490 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.403 -6.737 22.547 1.00 0.00 H new ATOM 0 HG LEU A 28 86.841 -4.462 20.592 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.068 -2.993 22.185 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.579 -3.637 22.918 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.158 -4.337 23.348 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.326 -4.336 20.491 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.439 -5.694 21.636 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.743 -5.950 20.018 1.00 0.00 H new ATOM 449 N PRO A 29 86.695 -9.365 21.356 1.00 0.00 N ATOM 450 CA PRO A 29 86.280 -10.707 21.852 1.00 0.00 C ATOM 451 C PRO A 29 85.662 -10.617 23.254 1.00 0.00 C ATOM 452 O PRO A 29 85.871 -9.657 23.964 1.00 0.00 O ATOM 453 CB PRO A 29 87.585 -11.534 21.859 1.00 0.00 C ATOM 454 CG PRO A 29 88.700 -10.535 21.789 1.00 0.00 C ATOM 455 CD PRO A 29 88.140 -9.309 21.064 1.00 0.00 C ATOM 0 HA PRO A 29 85.510 -11.160 21.227 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.659 -12.140 22.762 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.619 -12.218 21.011 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.047 -10.270 22.788 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.556 -10.946 21.253 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.588 -8.386 21.432 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.335 -9.353 19.992 1.00 0.00 H new ATOM 463 N PRO A 30 84.903 -11.608 23.642 1.00 0.00 N ATOM 464 CA PRO A 30 84.239 -11.631 24.976 1.00 0.00 C ATOM 465 C PRO A 30 85.262 -11.458 26.089 1.00 0.00 C ATOM 466 O PRO A 30 85.011 -10.829 27.098 1.00 0.00 O ATOM 467 CB PRO A 30 83.574 -13.025 25.050 1.00 0.00 C ATOM 468 CG PRO A 30 84.186 -13.823 23.936 1.00 0.00 C ATOM 469 CD PRO A 30 84.603 -12.815 22.867 1.00 0.00 C ATOM 0 HA PRO A 30 83.519 -10.822 25.097 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.757 -13.496 26.016 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.493 -12.951 24.931 1.00 0.00 H new ATOM 0 HG2 PRO A 30 85.046 -14.391 24.291 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.472 -14.542 23.535 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.472 -13.159 22.306 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.806 -12.642 22.144 1.00 0.00 H new ATOM 477 N VAL A 31 86.418 -12.017 25.908 1.00 0.00 N ATOM 478 CA VAL A 31 87.461 -11.903 26.953 1.00 0.00 C ATOM 479 C VAL A 31 87.701 -10.442 27.305 1.00 0.00 C ATOM 480 O VAL A 31 87.748 -10.077 28.459 1.00 0.00 O ATOM 481 CB VAL A 31 88.764 -12.537 26.428 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.967 -12.127 27.301 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.612 -14.061 26.450 1.00 0.00 C ATOM 0 H VAL A 31 86.686 -12.549 25.080 1.00 0.00 H new ATOM 0 HA VAL A 31 87.131 -12.423 27.852 1.00 0.00 H new ATOM 0 HB VAL A 31 88.945 -12.187 25.412 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.874 -12.587 26.910 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.075 -11.042 27.286 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.804 -12.461 28.326 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.527 -14.523 26.081 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.424 -14.393 27.471 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.776 -14.353 25.814 1.00 0.00 H new ATOM 493 N VAL A 32 87.876 -9.604 26.339 1.00 0.00 N ATOM 494 CA VAL A 32 88.135 -8.182 26.673 1.00 0.00 C ATOM 495 C VAL A 32 86.879 -7.557 27.260 1.00 0.00 C ATOM 496 O VAL A 32 86.918 -6.886 28.271 1.00 0.00 O ATOM 497 CB VAL A 32 88.559 -7.434 25.418 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.841 -5.971 25.774 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.825 -8.083 24.855 1.00 0.00 C ATOM 0 H VAL A 32 87.853 -9.831 25.345 1.00 0.00 H new ATOM 0 HA VAL A 32 88.936 -8.120 27.410 1.00 0.00 H new ATOM 0 HB VAL A 32 87.766 -7.476 24.672 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.145 -5.431 24.878 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.939 -5.516 26.184 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.639 -5.924 26.515 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.136 -7.553 23.955 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.621 -8.034 25.598 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.621 -9.125 24.610 1.00 0.00 H new ATOM 509 N ALA A 33 85.760 -7.778 26.638 1.00 0.00 N ATOM 510 CA ALA A 33 84.496 -7.200 27.165 1.00 0.00 C ATOM 511 C ALA A 33 84.160 -7.832 28.520 1.00 0.00 C ATOM 512 O ALA A 33 83.800 -7.146 29.458 1.00 0.00 O ATOM 513 CB ALA A 33 83.358 -7.484 26.182 1.00 0.00 C ATOM 0 H ALA A 33 85.664 -8.333 25.788 1.00 0.00 H new ATOM 0 HA ALA A 33 84.619 -6.124 27.288 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.430 -7.061 26.567 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.590 -7.033 25.217 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.242 -8.561 26.061 1.00 0.00 H new ATOM 519 N LYS A 34 84.273 -9.133 28.638 1.00 0.00 N ATOM 520 CA LYS A 34 83.956 -9.788 29.940 1.00 0.00 C ATOM 521 C LYS A 34 84.901 -9.281 31.032 1.00 0.00 C ATOM 522 O LYS A 34 84.516 -9.143 32.173 1.00 0.00 O ATOM 523 CB LYS A 34 84.055 -11.318 29.802 1.00 0.00 C ATOM 524 CG LYS A 34 82.874 -11.821 28.956 1.00 0.00 C ATOM 525 CD LYS A 34 82.965 -13.342 28.732 1.00 0.00 C ATOM 526 CE LYS A 34 82.452 -14.102 29.964 1.00 0.00 C ATOM 527 NZ LYS A 34 81.057 -13.675 30.273 1.00 0.00 N ATOM 0 H LYS A 34 84.569 -9.764 27.893 1.00 0.00 H new ATOM 0 HA LYS A 34 82.935 -9.533 30.224 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.999 -11.593 29.332 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.040 -11.787 30.786 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.935 -11.579 29.454 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.866 -11.308 27.994 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.380 -13.622 27.856 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.998 -13.624 28.528 1.00 0.00 H new ATOM 0 HE2 LYS A 34 82.481 -15.176 29.779 1.00 0.00 H new ATOM 0 HE3 LYS A 34 83.100 -13.908 30.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.558 -14.446 30.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.079 -12.835 30.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.560 -13.446 29.389 1.00 0.00 H new ATOM 541 N GLU A 35 86.132 -9.005 30.699 1.00 0.00 N ATOM 542 CA GLU A 35 87.078 -8.518 31.739 1.00 0.00 C ATOM 543 C GLU A 35 86.616 -7.166 32.289 1.00 0.00 C ATOM 544 O GLU A 35 86.725 -6.907 33.468 1.00 0.00 O ATOM 545 CB GLU A 35 88.486 -8.383 31.155 1.00 0.00 C ATOM 546 CG GLU A 35 89.508 -8.201 32.297 1.00 0.00 C ATOM 547 CD GLU A 35 89.516 -6.744 32.775 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.046 -5.891 32.042 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.992 -6.505 33.872 1.00 0.00 O ATOM 0 H GLU A 35 86.520 -9.095 29.760 1.00 0.00 H new ATOM 0 HA GLU A 35 87.098 -9.244 32.552 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.734 -9.269 30.570 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.529 -7.531 30.477 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.258 -8.862 33.127 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.503 -8.484 31.953 1.00 0.00 H new ATOM 556 N ILE A 36 86.108 -6.295 31.455 1.00 0.00 N ATOM 557 CA ILE A 36 85.659 -4.971 31.982 1.00 0.00 C ATOM 558 C ILE A 36 84.577 -5.210 33.026 1.00 0.00 C ATOM 559 O ILE A 36 84.557 -4.584 34.068 1.00 0.00 O ATOM 560 CB ILE A 36 85.101 -4.126 30.833 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.240 -3.835 29.850 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.528 -2.809 31.384 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.727 -2.971 28.696 1.00 0.00 C ATOM 0 H ILE A 36 85.986 -6.438 30.452 1.00 0.00 H new ATOM 0 HA ILE A 36 86.497 -4.439 32.433 1.00 0.00 H new ATOM 0 HB ILE A 36 84.301 -4.664 30.325 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.054 -3.324 30.364 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.645 -4.770 29.463 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.133 -2.212 30.562 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.728 -3.028 32.091 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.317 -2.252 31.890 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.543 -2.769 28.002 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.929 -3.498 28.174 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.343 -2.029 29.089 1.00 0.00 H new ATOM 575 N VAL A 37 83.700 -6.133 32.771 1.00 0.00 N ATOM 576 CA VAL A 37 82.637 -6.439 33.761 1.00 0.00 C ATOM 577 C VAL A 37 83.299 -6.983 35.028 1.00 0.00 C ATOM 578 O VAL A 37 82.902 -6.682 36.137 1.00 0.00 O ATOM 579 CB VAL A 37 81.683 -7.481 33.177 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.652 -7.886 34.235 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.965 -6.886 31.956 1.00 0.00 C ATOM 0 H VAL A 37 83.673 -6.691 31.917 1.00 0.00 H new ATOM 0 HA VAL A 37 82.069 -5.540 34.000 1.00 0.00 H new ATOM 0 HB VAL A 37 82.248 -8.362 32.873 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.973 -8.629 33.816 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.164 -8.309 35.099 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.084 -7.009 34.544 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.284 -7.627 31.538 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.400 -6.005 32.260 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.701 -6.603 31.203 1.00 0.00 H new ATOM 591 N ALA A 38 84.315 -7.783 34.861 1.00 0.00 N ATOM 592 CA ALA A 38 85.030 -8.360 36.036 1.00 0.00 C ATOM 593 C ALA A 38 85.620 -7.241 36.900 1.00 0.00 C ATOM 594 O ALA A 38 85.701 -7.353 38.110 1.00 0.00 O ATOM 595 CB ALA A 38 86.160 -9.258 35.534 1.00 0.00 C ATOM 0 H ALA A 38 84.685 -8.065 33.953 1.00 0.00 H new ATOM 0 HA ALA A 38 84.327 -8.937 36.637 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.690 -9.686 36.385 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.744 -10.061 34.925 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.853 -8.669 34.933 1.00 0.00 H new ATOM 601 N SER A 39 86.048 -6.167 36.292 1.00 0.00 N ATOM 602 CA SER A 39 86.648 -5.050 37.084 1.00 0.00 C ATOM 603 C SER A 39 85.536 -4.229 37.738 1.00 0.00 C ATOM 604 O SER A 39 85.741 -3.588 38.747 1.00 0.00 O ATOM 605 CB SER A 39 87.466 -4.152 36.157 1.00 0.00 C ATOM 606 OG SER A 39 88.355 -4.954 35.386 1.00 0.00 O ATOM 0 H SER A 39 86.009 -6.013 35.284 1.00 0.00 H new ATOM 0 HA SER A 39 87.296 -5.462 37.858 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.803 -3.589 35.500 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.029 -3.424 36.741 1.00 0.00 H new ATOM 0 HG SER A 39 87.850 -5.431 34.695 1.00 0.00 H new ATOM 612 N CYS A 40 84.359 -4.244 37.167 1.00 0.00 N ATOM 613 CA CYS A 40 83.231 -3.462 37.754 1.00 0.00 C ATOM 614 C CYS A 40 82.588 -4.272 38.877 1.00 0.00 C ATOM 615 O CYS A 40 81.817 -5.185 38.643 1.00 0.00 O ATOM 616 CB CYS A 40 82.185 -3.161 36.673 1.00 0.00 C ATOM 617 SG CYS A 40 80.787 -2.271 37.409 1.00 0.00 S ATOM 0 H CYS A 40 84.131 -4.764 36.320 1.00 0.00 H new ATOM 0 HA CYS A 40 83.612 -2.521 38.151 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.631 -2.564 35.878 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.839 -4.090 36.219 1.00 0.00 H new ATOM 622 N ASP A 41 82.910 -3.945 40.096 1.00 0.00 N ATOM 623 CA ASP A 41 82.339 -4.687 41.255 1.00 0.00 C ATOM 624 C ASP A 41 80.812 -4.564 41.258 1.00 0.00 C ATOM 625 O ASP A 41 80.115 -5.435 41.737 1.00 0.00 O ATOM 626 CB ASP A 41 82.883 -4.110 42.560 1.00 0.00 C ATOM 627 CG ASP A 41 84.370 -4.442 42.709 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.853 -5.279 41.962 1.00 0.00 O ATOM 629 OD2 ASP A 41 85.001 -3.859 43.578 1.00 0.00 O ATOM 0 H ASP A 41 83.549 -3.189 40.342 1.00 0.00 H new ATOM 0 HA ASP A 41 82.621 -5.736 41.169 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.742 -3.029 42.575 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.326 -4.516 43.405 1.00 0.00 H new ATOM 634 N LYS A 42 80.279 -3.480 40.751 1.00 0.00 N ATOM 635 CA LYS A 42 78.799 -3.324 40.764 1.00 0.00 C ATOM 636 C LYS A 42 78.160 -4.325 39.801 1.00 0.00 C ATOM 637 O LYS A 42 77.129 -4.908 40.095 1.00 0.00 O ATOM 638 CB LYS A 42 78.420 -1.900 40.344 1.00 0.00 C ATOM 639 CG LYS A 42 78.994 -0.891 41.342 1.00 0.00 C ATOM 640 CD LYS A 42 78.408 0.491 41.057 1.00 0.00 C ATOM 641 CE LYS A 42 79.091 1.537 41.945 1.00 0.00 C ATOM 642 NZ LYS A 42 78.987 1.125 43.373 1.00 0.00 N ATOM 0 H LYS A 42 80.800 -2.708 40.335 1.00 0.00 H new ATOM 0 HA LYS A 42 78.435 -3.512 41.774 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.802 -1.693 39.344 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.335 -1.802 40.298 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.757 -1.196 42.361 1.00 0.00 H new ATOM 0 HG3 LYS A 42 80.081 -0.861 41.262 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.547 0.746 40.006 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.334 0.487 41.244 1.00 0.00 H new ATOM 0 HE2 LYS A 42 80.138 1.641 41.662 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.623 2.511 41.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.148 1.950 43.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.038 0.739 43.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.702 0.398 43.577 1.00 0.00 H new ATOM 656 N CYS A 43 78.754 -4.538 38.658 1.00 0.00 N ATOM 657 CA CYS A 43 78.173 -5.512 37.681 1.00 0.00 C ATOM 658 C CYS A 43 78.666 -6.922 37.998 1.00 0.00 C ATOM 659 O CYS A 43 78.080 -7.900 37.590 1.00 0.00 O ATOM 660 CB CYS A 43 78.601 -5.137 36.267 1.00 0.00 C ATOM 661 SG CYS A 43 77.717 -3.643 35.744 1.00 0.00 S ATOM 0 H CYS A 43 79.615 -4.082 38.356 1.00 0.00 H new ATOM 0 HA CYS A 43 77.086 -5.483 37.755 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.677 -4.966 36.235 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.388 -5.957 35.582 1.00 0.00 H new ATOM 666 N GLN A 44 79.745 -7.037 38.714 1.00 0.00 N ATOM 667 CA GLN A 44 80.263 -8.383 39.040 1.00 0.00 C ATOM 668 C GLN A 44 79.381 -9.009 40.111 1.00 0.00 C ATOM 669 O GLN A 44 78.600 -9.901 39.841 1.00 0.00 O ATOM 670 CB GLN A 44 81.687 -8.267 39.567 1.00 0.00 C ATOM 671 CG GLN A 44 82.284 -9.664 39.700 1.00 0.00 C ATOM 672 CD GLN A 44 83.687 -9.556 40.292 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.655 -9.096 39.551 1.00 0.00 O ATOM 674 NE2 GLN A 44 83.904 -9.890 41.440 1.00 0.00 N ATOM 0 H GLN A 44 80.287 -6.257 39.085 1.00 0.00 H new ATOM 0 HA GLN A 44 80.257 -9.004 38.144 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.291 -7.663 38.890 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.691 -7.763 40.533 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.653 -10.283 40.339 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.324 -10.150 38.725 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.145 -10.250 42.019 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.845 -9.810 41.825 1.00 0.00 H new ATOM 683 N LEU A 45 79.485 -8.543 41.324 1.00 0.00 N ATOM 684 CA LEU A 45 78.632 -9.112 42.404 1.00 0.00 C ATOM 685 C LEU A 45 77.261 -8.443 42.332 1.00 0.00 C ATOM 686 O LEU A 45 77.124 -7.265 42.589 1.00 0.00 O ATOM 687 CB LEU A 45 79.263 -8.832 43.774 1.00 0.00 C ATOM 688 CG LEU A 45 80.746 -9.211 43.770 1.00 0.00 C ATOM 689 CD1 LEU A 45 81.357 -8.858 45.126 1.00 0.00 C ATOM 690 CD2 LEU A 45 80.901 -10.717 43.523 1.00 0.00 C ATOM 0 H LEU A 45 80.119 -7.798 41.613 1.00 0.00 H new ATOM 0 HA LEU A 45 78.539 -10.190 42.274 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.152 -7.777 44.023 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.739 -9.398 44.544 1.00 0.00 H new ATOM 0 HG LEU A 45 81.255 -8.663 42.977 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.414 -9.126 45.130 1.00 0.00 H new ATOM 0 HD12 LEU A 45 81.253 -7.788 45.304 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.841 -9.409 45.912 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.959 -10.978 43.522 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.392 -11.270 44.313 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.462 -10.975 42.559 1.00 0.00 H new ATOM 702 N LYS A 46 76.243 -9.175 41.972 1.00 0.00 N ATOM 703 CA LYS A 46 74.885 -8.571 41.874 1.00 0.00 C ATOM 704 C LYS A 46 74.174 -8.659 43.230 1.00 0.00 C ATOM 705 O LYS A 46 74.053 -7.681 43.937 1.00 0.00 O ATOM 706 CB LYS A 46 74.060 -9.321 40.821 1.00 0.00 C ATOM 707 CG LYS A 46 72.799 -8.508 40.508 1.00 0.00 C ATOM 708 CD LYS A 46 71.913 -9.268 39.518 1.00 0.00 C ATOM 709 CE LYS A 46 70.703 -8.401 39.151 1.00 0.00 C ATOM 710 NZ LYS A 46 71.157 -7.168 38.442 1.00 0.00 N ATOM 0 H LYS A 46 76.293 -10.167 41.741 1.00 0.00 H new ATOM 0 HA LYS A 46 74.984 -7.525 41.585 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.648 -9.468 39.915 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.789 -10.311 41.189 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.246 -8.313 41.427 1.00 0.00 H new ATOM 0 HG3 LYS A 46 73.076 -7.540 40.091 1.00 0.00 H new ATOM 0 HD2 LYS A 46 72.481 -9.518 38.622 1.00 0.00 H new ATOM 0 HD3 LYS A 46 71.581 -10.209 39.957 1.00 0.00 H new ATOM 0 HE2 LYS A 46 70.020 -8.965 38.516 1.00 0.00 H new ATOM 0 HE3 LYS A 46 70.152 -8.131 40.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 70.574 -7.021 37.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 71.061 -6.348 39.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 72.153 -7.275 38.163 1.00 0.00 H new ATOM 724 N GLY A 47 73.699 -9.823 43.596 1.00 0.00 N ATOM 725 CA GLY A 47 72.993 -9.967 44.907 1.00 0.00 C ATOM 726 C GLY A 47 73.970 -10.473 45.969 1.00 0.00 C ATOM 727 O GLY A 47 74.607 -11.493 45.803 1.00 0.00 O ATOM 0 H GLY A 47 73.769 -10.679 43.045 1.00 0.00 H new ATOM 0 HA2 GLY A 47 72.575 -9.008 45.212 1.00 0.00 H new ATOM 0 HA3 GLY A 47 72.159 -10.661 44.807 1.00 0.00 H new ATOM 731 N GLU A 48 74.077 -9.777 47.066 1.00 0.00 N ATOM 732 CA GLU A 48 74.998 -10.228 48.148 1.00 0.00 C ATOM 733 C GLU A 48 74.223 -11.157 49.091 1.00 0.00 C ATOM 734 O GLU A 48 73.088 -10.899 49.433 1.00 0.00 O ATOM 735 CB GLU A 48 75.502 -9.013 48.923 1.00 0.00 C ATOM 736 CG GLU A 48 74.323 -8.288 49.570 1.00 0.00 C ATOM 737 CD GLU A 48 74.814 -6.968 50.157 1.00 0.00 C ATOM 738 OE1 GLU A 48 76.015 -6.837 50.339 1.00 0.00 O ATOM 739 OE2 GLU A 48 73.987 -6.114 50.429 1.00 0.00 O ATOM 0 H GLU A 48 73.567 -8.915 47.261 1.00 0.00 H new ATOM 0 HA GLU A 48 75.850 -10.757 47.722 1.00 0.00 H new ATOM 0 HB2 GLU A 48 76.212 -9.327 49.688 1.00 0.00 H new ATOM 0 HB3 GLU A 48 76.033 -8.337 48.253 1.00 0.00 H new ATOM 0 HG2 GLU A 48 73.543 -8.105 48.832 1.00 0.00 H new ATOM 0 HG3 GLU A 48 73.883 -8.907 50.352 1.00 0.00 H new ATOM 746 N ALA A 49 74.822 -12.241 49.506 1.00 0.00 N ATOM 747 CA ALA A 49 74.103 -13.184 50.413 1.00 0.00 C ATOM 748 C ALA A 49 74.075 -12.634 51.846 1.00 0.00 C ATOM 749 O ALA A 49 74.958 -11.909 52.262 1.00 0.00 O ATOM 750 CB ALA A 49 74.797 -14.546 50.388 1.00 0.00 C ATOM 0 H ALA A 49 75.773 -12.514 49.258 1.00 0.00 H new ATOM 0 HA ALA A 49 73.076 -13.295 50.066 1.00 0.00 H new ATOM 0 HB1 ALA A 49 74.272 -15.234 51.050 1.00 0.00 H new ATOM 0 HB2 ALA A 49 74.787 -14.941 49.372 1.00 0.00 H new ATOM 0 HB3 ALA A 49 75.828 -14.435 50.724 1.00 0.00 H new ATOM 756 N MET A 50 73.057 -12.975 52.599 1.00 0.00 N ATOM 757 CA MET A 50 72.947 -12.486 54.009 1.00 0.00 C ATOM 758 C MET A 50 71.659 -13.057 54.634 1.00 0.00 C ATOM 759 O MET A 50 70.710 -13.367 53.945 1.00 0.00 O ATOM 760 CB MET A 50 72.913 -10.932 54.016 1.00 0.00 C ATOM 761 CG MET A 50 74.137 -10.361 54.748 1.00 0.00 C ATOM 762 SD MET A 50 74.100 -10.882 56.482 1.00 0.00 S ATOM 763 CE MET A 50 73.153 -9.480 57.124 1.00 0.00 C ATOM 0 H MET A 50 72.292 -13.576 52.294 1.00 0.00 H new ATOM 0 HA MET A 50 73.806 -12.817 54.592 1.00 0.00 H new ATOM 0 HB2 MET A 50 72.890 -10.560 52.992 1.00 0.00 H new ATOM 0 HB3 MET A 50 72.000 -10.586 54.501 1.00 0.00 H new ATOM 0 HG2 MET A 50 75.054 -10.709 54.272 1.00 0.00 H new ATOM 0 HG3 MET A 50 74.138 -9.273 54.684 1.00 0.00 H new ATOM 0 HE1 MET A 50 72.813 -9.703 58.135 1.00 0.00 H new ATOM 0 HE2 MET A 50 73.785 -8.592 57.142 1.00 0.00 H new ATOM 0 HE3 MET A 50 72.290 -9.299 56.483 1.00 0.00 H new ATOM 773 N HIS A 51 71.619 -13.179 55.937 1.00 0.00 N ATOM 774 CA HIS A 51 70.389 -13.703 56.606 1.00 0.00 C ATOM 775 C HIS A 51 69.914 -14.984 55.923 1.00 0.00 C ATOM 776 O HIS A 51 70.435 -16.058 56.166 1.00 0.00 O ATOM 777 CB HIS A 51 69.292 -12.647 56.511 1.00 0.00 C ATOM 778 CG HIS A 51 69.635 -11.505 57.422 1.00 0.00 C ATOM 779 ND1 HIS A 51 70.040 -11.708 58.730 1.00 0.00 N ATOM 780 CD2 HIS A 51 69.654 -10.147 57.226 1.00 0.00 C ATOM 781 CE1 HIS A 51 70.285 -10.498 59.269 1.00 0.00 C ATOM 782 NE2 HIS A 51 70.063 -9.518 58.393 1.00 0.00 N ATOM 0 H HIS A 51 72.385 -12.938 56.566 1.00 0.00 H new ATOM 0 HA HIS A 51 70.615 -13.925 57.649 1.00 0.00 H new ATOM 0 HB2 HIS A 51 69.197 -12.294 55.484 1.00 0.00 H new ATOM 0 HB3 HIS A 51 68.330 -13.077 56.791 1.00 0.00 H new ATOM 0 HD2 HIS A 51 69.391 -9.646 56.306 1.00 0.00 H new ATOM 0 HE1 HIS A 51 70.619 -10.341 60.284 1.00 0.00 H new ATOM 0 HE2 HIS A 51 70.171 -8.516 58.548 1.00 0.00 H new ATOM 790 N GLY A 52 68.923 -14.883 55.076 1.00 0.00 N ATOM 791 CA GLY A 52 68.408 -16.100 54.379 1.00 0.00 C ATOM 792 C GLY A 52 67.377 -16.810 55.260 1.00 0.00 C ATOM 793 O GLY A 52 66.188 -16.766 55.009 1.00 0.00 O ATOM 0 H GLY A 52 68.448 -14.012 54.837 1.00 0.00 H new ATOM 0 HA2 GLY A 52 67.955 -15.820 53.428 1.00 0.00 H new ATOM 0 HA3 GLY A 52 69.233 -16.776 54.153 1.00 0.00 H new ATOM 797 N GLN A 53 67.832 -17.475 56.287 1.00 0.00 N ATOM 798 CA GLN A 53 66.904 -18.211 57.197 1.00 0.00 C ATOM 799 C GLN A 53 66.555 -17.328 58.403 1.00 0.00 C ATOM 800 O GLN A 53 67.390 -16.601 58.907 1.00 0.00 O ATOM 801 CB GLN A 53 67.604 -19.479 57.682 1.00 0.00 C ATOM 802 CG GLN A 53 67.750 -20.476 56.527 1.00 0.00 C ATOM 803 CD GLN A 53 68.315 -21.783 57.080 1.00 0.00 C ATOM 804 OE1 GLN A 53 68.723 -21.817 58.319 1.00 0.00 O flip ATOM 805 NE2 GLN A 53 68.378 -22.780 56.386 1.00 0.00 N flip ATOM 0 H GLN A 53 68.818 -17.541 56.538 1.00 0.00 H new ATOM 0 HA GLN A 53 65.987 -18.467 56.666 1.00 0.00 H new ATOM 0 HB2 GLN A 53 68.586 -19.230 58.084 1.00 0.00 H new ATOM 0 HB3 GLN A 53 67.033 -19.931 58.493 1.00 0.00 H new ATOM 0 HG2 GLN A 53 66.784 -20.652 56.054 1.00 0.00 H new ATOM 0 HG3 GLN A 53 68.411 -20.072 55.760 1.00 0.00 H new ATOM 0 HE21 GLN A 53 68.058 -22.749 55.418 1.00 0.00 H new ATOM 0 HE22 GLN A 53 68.751 -23.647 56.772 1.00 0.00 H new ATOM 814 N VAL A 54 65.331 -17.390 58.865 1.00 0.00 N ATOM 815 CA VAL A 54 64.909 -16.572 60.047 1.00 0.00 C ATOM 816 C VAL A 54 65.461 -15.153 59.931 1.00 0.00 C ATOM 817 O VAL A 54 65.707 -14.657 58.849 1.00 0.00 O ATOM 818 CB VAL A 54 65.373 -17.219 61.366 1.00 0.00 C ATOM 819 CG1 VAL A 54 64.792 -18.626 61.462 1.00 0.00 C ATOM 820 CG2 VAL A 54 66.907 -17.304 61.447 1.00 0.00 C ATOM 0 H VAL A 54 64.597 -17.978 58.470 1.00 0.00 H new ATOM 0 HA VAL A 54 63.820 -16.530 60.057 1.00 0.00 H new ATOM 0 HB VAL A 54 65.022 -16.598 62.190 1.00 0.00 H new ATOM 0 HG11 VAL A 54 65.116 -19.091 62.393 1.00 0.00 H new ATOM 0 HG12 VAL A 54 63.703 -18.572 61.443 1.00 0.00 H new ATOM 0 HG13 VAL A 54 65.141 -19.222 60.619 1.00 0.00 H new ATOM 0 HG21 VAL A 54 67.196 -17.766 62.391 1.00 0.00 H new ATOM 0 HG22 VAL A 54 67.282 -17.905 60.619 1.00 0.00 H new ATOM 0 HG23 VAL A 54 67.331 -16.301 61.389 1.00 0.00 H new ATOM 830 N ASP A 55 65.659 -14.493 61.041 1.00 0.00 N ATOM 831 CA ASP A 55 66.195 -13.103 60.998 1.00 0.00 C ATOM 832 C ASP A 55 66.977 -12.807 62.277 1.00 0.00 C ATOM 833 O ASP A 55 68.190 -12.933 62.251 1.00 0.00 O ATOM 834 CB ASP A 55 65.036 -12.117 60.883 1.00 0.00 C ATOM 835 CG ASP A 55 65.599 -10.712 60.664 1.00 0.00 C ATOM 836 OD1 ASP A 55 66.809 -10.570 60.703 1.00 0.00 O ATOM 837 OD2 ASP A 55 64.811 -9.801 60.475 1.00 0.00 O ATOM 838 OXT ASP A 55 66.349 -12.453 63.262 1.00 0.00 O ATOM 0 H ASP A 55 65.472 -14.857 61.975 1.00 0.00 H new ATOM 0 HA ASP A 55 66.856 -13.002 60.137 1.00 0.00 H new ATOM 0 HB2 ASP A 55 64.385 -12.396 60.054 1.00 0.00 H new ATOM 0 HB3 ASP A 55 64.428 -12.143 61.788 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.488 -13.987 20.863 1.00 0.00 N ATOM 845 CA PHE B 1 92.876 -13.785 22.207 1.00 0.00 C ATOM 846 C PHE B 1 92.458 -15.136 22.790 1.00 0.00 C ATOM 847 O PHE B 1 92.987 -15.584 23.787 1.00 0.00 O ATOM 848 CB PHE B 1 91.629 -12.891 22.089 1.00 0.00 C ATOM 849 CG PHE B 1 92.035 -11.451 21.882 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.495 -11.031 20.631 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.941 -10.527 22.939 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.863 -9.697 20.431 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.311 -9.195 22.739 1.00 0.00 C ATOM 854 CZ PHE B 1 92.773 -8.778 21.484 1.00 0.00 C ATOM 0 H1 PHE B 1 93.923 -13.098 20.542 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.216 -14.727 20.921 1.00 0.00 H new ATOM 0 H3 PHE B 1 92.753 -14.277 20.187 1.00 0.00 H new ATOM 0 HA PHE B 1 93.609 -13.308 22.858 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.011 -13.225 21.256 1.00 0.00 H new ATOM 0 HB3 PHE B 1 91.023 -12.979 22.991 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.566 -11.738 19.818 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.582 -10.848 23.906 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.217 -9.375 19.463 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.241 -8.487 23.552 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.060 -7.748 21.329 1.00 0.00 H new ATOM 866 N LEU B 2 91.494 -15.771 22.185 1.00 0.00 N ATOM 867 CA LEU B 2 90.995 -17.077 22.708 1.00 0.00 C ATOM 868 C LEU B 2 91.999 -18.203 22.445 1.00 0.00 C ATOM 869 O LEU B 2 91.917 -19.262 23.036 1.00 0.00 O ATOM 870 CB LEU B 2 89.687 -17.415 21.995 1.00 0.00 C ATOM 871 CG LEU B 2 88.736 -16.216 22.028 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.370 -16.659 21.510 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.599 -15.687 23.462 1.00 0.00 C ATOM 0 H LEU B 2 91.025 -15.439 21.342 1.00 0.00 H new ATOM 0 HA LEU B 2 90.849 -16.988 23.785 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.891 -17.697 20.962 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.216 -18.274 22.473 1.00 0.00 H new ATOM 0 HG LEU B 2 89.133 -15.418 21.400 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.682 -15.814 21.528 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.469 -17.024 20.488 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.982 -17.456 22.144 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.920 -14.834 23.472 1.00 0.00 H new ATOM 0 HD22 LEU B 2 88.203 -16.474 24.104 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.577 -15.376 23.830 1.00 0.00 H new ATOM 885 N ASP B 3 92.925 -18.007 21.554 1.00 0.00 N ATOM 886 CA ASP B 3 93.903 -19.087 21.252 1.00 0.00 C ATOM 887 C ASP B 3 94.866 -19.299 22.432 1.00 0.00 C ATOM 888 O ASP B 3 94.878 -20.342 23.058 1.00 0.00 O ATOM 889 CB ASP B 3 94.687 -18.707 19.992 1.00 0.00 C ATOM 890 CG ASP B 3 95.259 -17.296 20.140 1.00 0.00 C ATOM 891 OD1 ASP B 3 94.567 -16.456 20.692 1.00 0.00 O ATOM 892 OD2 ASP B 3 96.376 -17.081 19.705 1.00 0.00 O ATOM 0 H ASP B 3 93.048 -17.146 21.021 1.00 0.00 H new ATOM 0 HA ASP B 3 93.366 -20.021 21.087 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.494 -19.420 19.827 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.035 -18.755 19.120 1.00 0.00 H new ATOM 897 N GLY B 4 95.673 -18.322 22.739 1.00 0.00 N ATOM 898 CA GLY B 4 96.642 -18.473 23.872 1.00 0.00 C ATOM 899 C GLY B 4 95.893 -18.737 25.180 1.00 0.00 C ATOM 900 O GLY B 4 96.296 -19.554 25.984 1.00 0.00 O ATOM 0 H GLY B 4 95.707 -17.424 22.257 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.328 -19.295 23.666 1.00 0.00 H new ATOM 0 HA3 GLY B 4 97.245 -17.570 23.966 1.00 0.00 H new ATOM 904 N ILE B 5 94.809 -18.046 25.399 1.00 0.00 N ATOM 905 CA ILE B 5 94.028 -18.239 26.652 1.00 0.00 C ATOM 906 C ILE B 5 93.558 -19.684 26.756 1.00 0.00 C ATOM 907 O ILE B 5 93.564 -20.265 27.819 1.00 0.00 O ATOM 908 CB ILE B 5 92.825 -17.310 26.634 1.00 0.00 C ATOM 909 CG1 ILE B 5 93.318 -15.859 26.647 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.945 -17.570 27.860 1.00 0.00 C ATOM 911 CD1 ILE B 5 92.163 -14.913 26.337 1.00 0.00 C ATOM 0 H ILE B 5 94.428 -17.350 24.758 1.00 0.00 H new ATOM 0 HA ILE B 5 94.658 -18.011 27.512 1.00 0.00 H new ATOM 0 HB ILE B 5 92.236 -17.492 25.735 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.743 -15.620 27.622 1.00 0.00 H new ATOM 0 HG13 ILE B 5 94.112 -15.730 25.912 1.00 0.00 H new ATOM 0 HG21 ILE B 5 91.085 -16.900 27.839 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.600 -18.604 27.848 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.523 -17.391 28.767 1.00 0.00 H new ATOM 0 HD11 ILE B 5 92.522 -13.884 26.348 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.757 -15.145 25.352 1.00 0.00 H new ATOM 0 HD13 ILE B 5 91.383 -15.033 27.088 1.00 0.00 H new ATOM 923 N ASP B 6 93.128 -20.273 25.678 1.00 0.00 N ATOM 924 CA ASP B 6 92.663 -21.680 25.771 1.00 0.00 C ATOM 925 C ASP B 6 93.779 -22.522 26.385 1.00 0.00 C ATOM 926 O ASP B 6 93.550 -23.322 27.268 1.00 0.00 O ATOM 927 CB ASP B 6 92.307 -22.212 24.380 1.00 0.00 C ATOM 928 CG ASP B 6 91.641 -23.580 24.522 1.00 0.00 C ATOM 929 OD1 ASP B 6 91.655 -24.109 25.622 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.137 -24.081 23.532 1.00 0.00 O ATOM 0 H ASP B 6 93.079 -19.849 24.752 1.00 0.00 H new ATOM 0 HA ASP B 6 91.772 -21.734 26.396 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.636 -21.518 23.873 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.205 -22.293 23.767 1.00 0.00 H new ATOM 935 N LYS B 7 94.992 -22.320 25.945 1.00 0.00 N ATOM 936 CA LYS B 7 96.125 -23.090 26.534 1.00 0.00 C ATOM 937 C LYS B 7 96.358 -22.611 27.971 1.00 0.00 C ATOM 938 O LYS B 7 96.522 -23.403 28.884 1.00 0.00 O ATOM 939 CB LYS B 7 97.389 -22.857 25.701 1.00 0.00 C ATOM 940 CG LYS B 7 98.502 -23.789 26.178 1.00 0.00 C ATOM 941 CD LYS B 7 99.768 -23.535 25.352 1.00 0.00 C ATOM 942 CE LYS B 7 100.873 -24.494 25.802 1.00 0.00 C ATOM 943 NZ LYS B 7 100.435 -25.900 25.564 1.00 0.00 N ATOM 0 H LYS B 7 95.246 -21.661 25.209 1.00 0.00 H new ATOM 0 HA LYS B 7 95.889 -24.154 26.535 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.179 -23.036 24.647 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.708 -21.819 25.790 1.00 0.00 H new ATOM 0 HG2 LYS B 7 98.705 -23.620 27.236 1.00 0.00 H new ATOM 0 HG3 LYS B 7 98.190 -24.828 26.075 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.558 -23.677 24.292 1.00 0.00 H new ATOM 0 HD3 LYS B 7 100.095 -22.503 25.476 1.00 0.00 H new ATOM 0 HE2 LYS B 7 101.793 -24.290 25.254 1.00 0.00 H new ATOM 0 HE3 LYS B 7 101.092 -24.344 26.859 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 101.268 -26.521 25.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.813 -26.206 26.339 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 99.918 -25.955 24.663 1.00 0.00 H new ATOM 957 N ALA B 8 96.365 -21.321 28.177 1.00 0.00 N ATOM 958 CA ALA B 8 96.573 -20.782 29.549 1.00 0.00 C ATOM 959 C ALA B 8 95.408 -21.195 30.441 1.00 0.00 C ATOM 960 O ALA B 8 95.567 -21.424 31.621 1.00 0.00 O ATOM 961 CB ALA B 8 96.679 -19.254 29.489 1.00 0.00 C ATOM 0 H ALA B 8 96.235 -20.617 27.451 1.00 0.00 H new ATOM 0 HA ALA B 8 97.497 -21.185 29.965 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.831 -18.860 30.494 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.521 -18.972 28.857 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.760 -18.842 29.073 1.00 0.00 H new ATOM 967 N GLN B 9 94.236 -21.286 29.889 1.00 0.00 N ATOM 968 CA GLN B 9 93.064 -21.681 30.708 1.00 0.00 C ATOM 969 C GLN B 9 93.327 -23.051 31.324 1.00 0.00 C ATOM 970 O GLN B 9 93.025 -23.290 32.475 1.00 0.00 O ATOM 971 CB GLN B 9 91.819 -21.742 29.816 1.00 0.00 C ATOM 972 CG GLN B 9 90.569 -21.924 30.679 1.00 0.00 C ATOM 973 CD GLN B 9 89.343 -22.007 29.771 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.420 -21.686 28.604 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.210 -22.431 30.256 1.00 0.00 N ATOM 0 H GLN B 9 94.039 -21.104 28.905 1.00 0.00 H new ATOM 0 HA GLN B 9 92.901 -20.951 31.501 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.736 -20.827 29.229 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.907 -22.567 29.109 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.655 -22.830 31.279 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.467 -21.090 31.374 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.145 -22.701 31.237 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.389 -22.493 29.654 1.00 0.00 H new ATOM 984 N GLU B 10 93.896 -23.950 30.574 1.00 0.00 N ATOM 985 CA GLU B 10 94.185 -25.292 31.145 1.00 0.00 C ATOM 986 C GLU B 10 95.138 -25.140 32.326 1.00 0.00 C ATOM 987 O GLU B 10 94.979 -25.772 33.349 1.00 0.00 O ATOM 988 CB GLU B 10 94.840 -26.181 30.092 1.00 0.00 C ATOM 989 CG GLU B 10 94.911 -27.606 30.641 1.00 0.00 C ATOM 990 CD GLU B 10 95.567 -28.528 29.615 1.00 0.00 C ATOM 991 OE1 GLU B 10 95.926 -28.043 28.550 1.00 0.00 O ATOM 992 OE2 GLU B 10 95.695 -29.701 29.906 1.00 0.00 O ATOM 0 H GLU B 10 94.171 -23.816 29.601 1.00 0.00 H new ATOM 0 HA GLU B 10 93.250 -25.748 31.471 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.265 -26.159 29.166 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.839 -25.815 29.855 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.480 -27.619 31.570 1.00 0.00 H new ATOM 0 HG3 GLU B 10 93.909 -27.964 30.876 1.00 0.00 H new ATOM 999 N GLU B 11 96.125 -24.297 32.201 1.00 0.00 N ATOM 1000 CA GLU B 11 97.076 -24.116 33.326 1.00 0.00 C ATOM 1001 C GLU B 11 96.293 -23.643 34.547 1.00 0.00 C ATOM 1002 O GLU B 11 96.537 -24.068 35.658 1.00 0.00 O ATOM 1003 CB GLU B 11 98.128 -23.066 32.939 1.00 0.00 C ATOM 1004 CG GLU B 11 99.333 -23.163 33.887 1.00 0.00 C ATOM 1005 CD GLU B 11 100.260 -24.294 33.428 1.00 0.00 C ATOM 1006 OE1 GLU B 11 99.773 -25.211 32.794 1.00 0.00 O ATOM 1007 OE2 GLU B 11 101.444 -24.216 33.712 1.00 0.00 O ATOM 0 H GLU B 11 96.311 -23.730 31.374 1.00 0.00 H new ATOM 0 HA GLU B 11 97.581 -25.055 33.552 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.450 -23.223 31.910 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.694 -22.067 32.989 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.875 -22.218 33.900 1.00 0.00 H new ATOM 0 HG3 GLU B 11 98.993 -23.349 34.906 1.00 0.00 H new ATOM 1014 N HIS B 12 95.339 -22.776 34.353 1.00 0.00 N ATOM 1015 CA HIS B 12 94.533 -22.293 35.507 1.00 0.00 C ATOM 1016 C HIS B 12 93.774 -23.460 36.147 1.00 0.00 C ATOM 1017 O HIS B 12 93.753 -23.615 37.349 1.00 0.00 O ATOM 1018 CB HIS B 12 93.524 -21.239 35.049 1.00 0.00 C ATOM 1019 CG HIS B 12 92.783 -20.763 36.260 1.00 0.00 C ATOM 1020 ND1 HIS B 12 93.014 -19.506 36.840 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.905 -21.408 37.092 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.295 -19.453 37.978 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.622 -20.581 38.150 1.00 0.00 N ATOM 0 H HIS B 12 95.083 -22.382 33.448 1.00 0.00 H new ATOM 0 HA HIS B 12 95.213 -21.853 36.236 1.00 0.00 H new ATOM 0 HB2 HIS B 12 94.034 -20.408 34.561 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.833 -21.662 34.320 1.00 0.00 H new ATOM 0 HD1 HIS B 12 93.614 -18.770 36.469 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.504 -22.399 36.941 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.271 -18.611 38.654 1.00 0.00 H new ATOM 1031 N GLU B 13 93.125 -24.265 35.355 1.00 0.00 N ATOM 1032 CA GLU B 13 92.352 -25.408 35.925 1.00 0.00 C ATOM 1033 C GLU B 13 93.276 -26.352 36.707 1.00 0.00 C ATOM 1034 O GLU B 13 92.924 -26.848 37.758 1.00 0.00 O ATOM 1035 CB GLU B 13 91.683 -26.180 34.782 1.00 0.00 C ATOM 1036 CG GLU B 13 90.698 -27.207 35.349 1.00 0.00 C ATOM 1037 CD GLU B 13 89.436 -26.493 35.838 1.00 0.00 C ATOM 1038 OE1 GLU B 13 89.402 -25.276 35.771 1.00 0.00 O ATOM 1039 OE2 GLU B 13 88.521 -27.179 36.266 1.00 0.00 O ATOM 0 H GLU B 13 93.095 -24.183 34.339 1.00 0.00 H new ATOM 0 HA GLU B 13 91.597 -25.018 36.608 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.160 -25.488 34.122 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.440 -26.683 34.180 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.440 -27.939 34.584 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.160 -27.754 36.171 1.00 0.00 H new ATOM 1046 N LYS B 14 94.441 -26.622 36.182 1.00 0.00 N ATOM 1047 CA LYS B 14 95.388 -27.557 36.863 1.00 0.00 C ATOM 1048 C LYS B 14 95.794 -27.066 38.260 1.00 0.00 C ATOM 1049 O LYS B 14 96.020 -27.865 39.148 1.00 0.00 O ATOM 1050 CB LYS B 14 96.650 -27.716 36.010 1.00 0.00 C ATOM 1051 CG LYS B 14 96.311 -28.471 34.717 1.00 0.00 C ATOM 1052 CD LYS B 14 97.532 -28.507 33.783 1.00 0.00 C ATOM 1053 CE LYS B 14 98.539 -29.567 34.250 1.00 0.00 C ATOM 1054 NZ LYS B 14 97.860 -30.888 34.361 1.00 0.00 N ATOM 0 H LYS B 14 94.781 -26.232 35.303 1.00 0.00 H new ATOM 0 HA LYS B 14 94.873 -28.510 36.979 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.065 -26.737 35.772 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.412 -28.258 36.569 1.00 0.00 H new ATOM 0 HG2 LYS B 14 95.996 -29.487 34.953 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.474 -27.987 34.214 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.211 -28.726 32.765 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.010 -27.528 33.763 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.368 -29.631 33.545 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.961 -29.282 35.214 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 98.552 -31.648 34.205 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 97.445 -30.986 35.310 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 97.108 -30.953 33.646 1.00 0.00 H new ATOM 1068 N TYR B 15 95.951 -25.775 38.456 1.00 0.00 N ATOM 1069 CA TYR B 15 96.418 -25.275 39.798 1.00 0.00 C ATOM 1070 C TYR B 15 95.625 -24.044 40.278 1.00 0.00 C ATOM 1071 O TYR B 15 95.869 -23.549 41.359 1.00 0.00 O ATOM 1072 CB TYR B 15 97.897 -24.891 39.669 1.00 0.00 C ATOM 1073 CG TYR B 15 98.640 -25.933 38.857 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.211 -27.042 39.500 1.00 0.00 C ATOM 1075 CD2 TYR B 15 98.780 -25.784 37.464 1.00 0.00 C ATOM 1076 CE1 TYR B 15 99.915 -27.999 38.757 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.489 -26.739 36.724 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.056 -27.847 37.370 1.00 0.00 C ATOM 1079 OH TYR B 15 100.757 -28.787 36.642 1.00 0.00 O ATOM 0 H TYR B 15 95.779 -25.053 37.757 1.00 0.00 H new ATOM 0 HA TYR B 15 96.264 -26.067 40.531 1.00 0.00 H new ATOM 0 HB2 TYR B 15 97.986 -23.915 39.191 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.345 -24.803 40.659 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.108 -27.158 40.569 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.340 -24.933 36.966 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.349 -28.854 39.253 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.599 -26.622 35.656 1.00 0.00 H new ATOM 0 HH TYR B 15 100.676 -29.663 37.074 1.00 0.00 H new ATOM 1089 N HIS B 16 94.725 -23.521 39.492 1.00 0.00 N ATOM 1090 CA HIS B 16 93.976 -22.297 39.923 1.00 0.00 C ATOM 1091 C HIS B 16 95.001 -21.221 40.248 1.00 0.00 C ATOM 1092 O HIS B 16 94.953 -20.582 41.283 1.00 0.00 O ATOM 1093 CB HIS B 16 93.106 -22.557 41.169 1.00 0.00 C ATOM 1094 CG HIS B 16 91.919 -23.417 40.825 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.758 -22.924 40.236 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.670 -24.761 41.008 1.00 0.00 C ATOM 1097 CE1 HIS B 16 89.878 -23.918 40.086 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.388 -25.071 40.544 1.00 0.00 N ATOM 0 H HIS B 16 94.473 -23.883 38.572 1.00 0.00 H new ATOM 0 HA HIS B 16 93.308 -21.992 39.118 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.703 -23.045 41.939 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.765 -21.608 41.584 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.361 -25.467 41.444 1.00 0.00 H new ATOM 0 HE1 HIS B 16 88.893 -23.808 39.656 1.00 0.00 H new ATOM 0 HE2 HIS B 16 89.935 -25.985 40.552 1.00 0.00 H new ATOM 1106 N SER B 17 95.945 -21.032 39.372 1.00 0.00 N ATOM 1107 CA SER B 17 96.999 -20.017 39.626 1.00 0.00 C ATOM 1108 C SER B 17 96.401 -18.613 39.619 1.00 0.00 C ATOM 1109 O SER B 17 95.381 -18.363 39.009 1.00 0.00 O ATOM 1110 CB SER B 17 98.069 -20.115 38.540 1.00 0.00 C ATOM 1111 OG SER B 17 97.469 -19.899 37.269 1.00 0.00 O ATOM 0 H SER B 17 96.032 -21.538 38.490 1.00 0.00 H new ATOM 0 HA SER B 17 97.441 -20.207 40.604 1.00 0.00 H new ATOM 0 HB2 SER B 17 98.851 -19.376 38.716 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.544 -21.096 38.569 1.00 0.00 H new ATOM 0 HG SER B 17 98.113 -20.115 36.562 1.00 0.00 H new ATOM 1117 N ASN B 18 97.037 -17.693 40.290 1.00 0.00 N ATOM 1118 CA ASN B 18 96.522 -16.294 40.317 1.00 0.00 C ATOM 1119 C ASN B 18 96.809 -15.626 38.968 1.00 0.00 C ATOM 1120 O ASN B 18 97.686 -16.039 38.241 1.00 0.00 O ATOM 1121 CB ASN B 18 97.224 -15.513 41.431 1.00 0.00 C ATOM 1122 CG ASN B 18 96.925 -16.163 42.782 1.00 0.00 C ATOM 1123 OD1 ASN B 18 95.855 -16.697 42.986 1.00 0.00 O ATOM 1124 ND2 ASN B 18 97.830 -16.140 43.722 1.00 0.00 N ATOM 0 H ASN B 18 97.893 -17.849 40.822 1.00 0.00 H new ATOM 0 HA ASN B 18 95.448 -16.302 40.502 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.299 -15.496 41.255 1.00 0.00 H new ATOM 0 HB3 ASN B 18 96.885 -14.477 41.432 1.00 0.00 H new ATOM 0 HD21 ASN B 18 97.637 -16.571 44.626 1.00 0.00 H new ATOM 0 HD22 ASN B 18 98.730 -15.692 43.552 1.00 0.00 H new ATOM 1131 N TRP B 19 96.073 -14.600 38.625 1.00 0.00 N ATOM 1132 CA TRP B 19 96.311 -13.923 37.316 1.00 0.00 C ATOM 1133 C TRP B 19 97.765 -13.459 37.218 1.00 0.00 C ATOM 1134 O TRP B 19 98.330 -13.398 36.151 1.00 0.00 O ATOM 1135 CB TRP B 19 95.367 -12.721 37.163 1.00 0.00 C ATOM 1136 CG TRP B 19 95.786 -11.583 38.046 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.261 -11.306 39.260 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.793 -10.557 37.791 1.00 0.00 C ATOM 1139 NE1 TRP B 19 95.869 -10.168 39.757 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.820 -9.672 38.889 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.670 -10.308 36.719 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.686 -8.580 38.927 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.546 -9.210 36.756 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.547 -8.346 37.858 1.00 0.00 C ATOM 0 H TRP B 19 95.322 -14.204 39.191 1.00 0.00 H new ATOM 0 HA TRP B 19 96.112 -14.634 36.514 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.358 -12.393 36.124 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.349 -13.021 37.412 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.494 -11.879 39.759 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.642 -9.746 40.657 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.670 -10.965 35.862 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.689 -7.919 39.781 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.221 -9.032 35.932 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.216 -7.498 37.879 1.00 0.00 H new ATOM 1155 N ARG B 20 98.377 -13.122 38.318 1.00 0.00 N ATOM 1156 CA ARG B 20 99.794 -12.659 38.257 1.00 0.00 C ATOM 1157 C ARG B 20 100.684 -13.778 37.725 1.00 0.00 C ATOM 1158 O ARG B 20 101.602 -13.548 36.961 1.00 0.00 O ATOM 1159 CB ARG B 20 100.271 -12.265 39.658 1.00 0.00 C ATOM 1160 CG ARG B 20 99.483 -11.055 40.159 1.00 0.00 C ATOM 1161 CD ARG B 20 99.955 -10.707 41.570 1.00 0.00 C ATOM 1162 NE ARG B 20 99.514 -11.779 42.510 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.049 -11.874 43.696 1.00 0.00 C ATOM 1164 NH1 ARG B 20 100.955 -11.018 44.078 1.00 0.00 N ATOM 1165 NH2 ARG B 20 99.683 -12.831 44.508 1.00 0.00 N ATOM 0 H ARG B 20 97.963 -13.146 39.250 1.00 0.00 H new ATOM 0 HA ARG B 20 99.854 -11.797 37.592 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.142 -13.102 40.344 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.336 -12.032 39.636 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.631 -10.206 39.492 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.415 -11.275 40.162 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.041 -10.612 41.591 1.00 0.00 H new ATOM 0 HD3 ARG B 20 99.545 -9.745 41.877 1.00 0.00 H new ATOM 0 HE ARG B 20 98.792 -12.440 42.224 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.248 -10.271 43.449 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.371 -11.096 45.006 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.977 -13.506 44.215 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.103 -12.902 45.435 1.00 0.00 H new ATOM 1179 N ALA B 21 100.429 -14.987 38.131 1.00 0.00 N ATOM 1180 CA ALA B 21 101.263 -16.125 37.652 1.00 0.00 C ATOM 1181 C ALA B 21 100.976 -16.374 36.172 1.00 0.00 C ATOM 1182 O ALA B 21 101.877 -16.490 35.364 1.00 0.00 O ATOM 1183 CB ALA B 21 100.930 -17.372 38.483 1.00 0.00 C ATOM 0 H ALA B 21 99.679 -15.239 38.775 1.00 0.00 H new ATOM 0 HA ALA B 21 102.322 -15.893 37.768 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.536 -18.211 38.140 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.143 -17.177 39.534 1.00 0.00 H new ATOM 0 HB3 ALA B 21 99.874 -17.616 38.366 1.00 0.00 H new ATOM 1189 N MET B 22 99.730 -16.468 35.814 1.00 0.00 N ATOM 1190 CA MET B 22 99.387 -16.716 34.392 1.00 0.00 C ATOM 1191 C MET B 22 99.947 -15.596 33.531 1.00 0.00 C ATOM 1192 O MET B 22 100.447 -15.826 32.446 1.00 0.00 O ATOM 1193 CB MET B 22 97.875 -16.778 34.229 1.00 0.00 C ATOM 1194 CG MET B 22 97.344 -18.044 34.895 1.00 0.00 C ATOM 1195 SD MET B 22 95.605 -18.269 34.453 1.00 0.00 S ATOM 1196 CE MET B 22 94.942 -16.875 35.395 1.00 0.00 C ATOM 0 H MET B 22 98.934 -16.384 36.446 1.00 0.00 H new ATOM 0 HA MET B 22 99.820 -17.666 34.079 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.414 -15.898 34.677 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.612 -16.773 33.171 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.927 -18.908 34.576 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.449 -17.971 35.977 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.868 -17.005 35.529 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.427 -16.831 36.370 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.131 -15.948 34.854 1.00 0.00 H new ATOM 1206 N ALA B 23 99.864 -14.384 33.993 1.00 0.00 N ATOM 1207 CA ALA B 23 100.399 -13.266 33.175 1.00 0.00 C ATOM 1208 C ALA B 23 101.884 -13.518 32.878 1.00 0.00 C ATOM 1209 O ALA B 23 102.332 -13.400 31.755 1.00 0.00 O ATOM 1210 CB ALA B 23 100.236 -11.959 33.947 1.00 0.00 C ATOM 0 H ALA B 23 99.455 -14.120 34.889 1.00 0.00 H new ATOM 0 HA ALA B 23 99.853 -13.200 32.234 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.627 -11.134 33.352 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.180 -11.788 34.154 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.785 -12.021 34.887 1.00 0.00 H new ATOM 1216 N SER B 24 102.640 -13.865 33.882 1.00 0.00 N ATOM 1217 CA SER B 24 104.097 -14.128 33.683 1.00 0.00 C ATOM 1218 C SER B 24 104.313 -15.421 32.891 1.00 0.00 C ATOM 1219 O SER B 24 105.244 -15.541 32.115 1.00 0.00 O ATOM 1220 CB SER B 24 104.765 -14.262 35.049 1.00 0.00 C ATOM 1221 OG SER B 24 106.148 -14.527 34.872 1.00 0.00 O ATOM 0 H SER B 24 102.310 -13.979 34.840 1.00 0.00 H new ATOM 0 HA SER B 24 104.532 -13.300 33.123 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.629 -13.346 35.624 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.299 -15.067 35.617 1.00 0.00 H new ATOM 0 HG SER B 24 106.580 -14.612 35.748 1.00 0.00 H new ATOM 1227 N ASP B 25 103.480 -16.404 33.104 1.00 0.00 N ATOM 1228 CA ASP B 25 103.656 -17.701 32.389 1.00 0.00 C ATOM 1229 C ASP B 25 103.557 -17.490 30.877 1.00 0.00 C ATOM 1230 O ASP B 25 104.309 -18.063 30.114 1.00 0.00 O ATOM 1231 CB ASP B 25 102.557 -18.668 32.834 1.00 0.00 C ATOM 1232 CG ASP B 25 102.746 -19.009 34.315 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.736 -18.573 34.881 1.00 0.00 O ATOM 1234 OD2 ASP B 25 101.901 -19.700 34.858 1.00 0.00 O ATOM 0 H ASP B 25 102.685 -16.365 33.742 1.00 0.00 H new ATOM 0 HA ASP B 25 104.638 -18.110 32.627 1.00 0.00 H new ATOM 0 HB2 ASP B 25 101.577 -18.219 32.675 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.592 -19.577 32.233 1.00 0.00 H new ATOM 1239 N PHE B 26 102.634 -16.670 30.442 1.00 0.00 N ATOM 1240 CA PHE B 26 102.462 -16.408 28.972 1.00 0.00 C ATOM 1241 C PHE B 26 102.867 -14.967 28.638 1.00 0.00 C ATOM 1242 O PHE B 26 102.819 -14.550 27.495 1.00 0.00 O ATOM 1243 CB PHE B 26 100.995 -16.630 28.599 1.00 0.00 C ATOM 1244 CG PHE B 26 100.630 -18.069 28.881 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.819 -19.044 27.892 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.113 -18.425 30.131 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.491 -20.379 28.160 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.787 -19.762 30.397 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.977 -20.737 29.410 1.00 0.00 C ATOM 0 H PHE B 26 101.984 -16.164 31.044 1.00 0.00 H new ATOM 0 HA PHE B 26 103.098 -17.088 28.406 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.355 -15.960 29.172 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.835 -16.400 27.546 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.216 -18.767 26.927 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.965 -17.671 30.890 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.635 -21.133 27.400 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.390 -20.040 31.362 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.726 -21.767 29.615 1.00 0.00 H new ATOM 1259 N ASN B 27 103.257 -14.200 29.618 1.00 0.00 N ATOM 1260 CA ASN B 27 103.663 -12.789 29.349 1.00 0.00 C ATOM 1261 C ASN B 27 102.482 -12.033 28.730 1.00 0.00 C ATOM 1262 O ASN B 27 102.626 -11.328 27.745 1.00 0.00 O ATOM 1263 CB ASN B 27 104.853 -12.765 28.380 1.00 0.00 C ATOM 1264 CG ASN B 27 105.581 -11.422 28.479 1.00 0.00 C ATOM 1265 OD1 ASN B 27 105.375 -10.667 29.407 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.437 -11.089 27.549 1.00 0.00 N ATOM 0 H ASN B 27 103.313 -14.488 30.595 1.00 0.00 H new ATOM 0 HA ASN B 27 103.955 -12.312 30.284 1.00 0.00 H new ATOM 0 HB2 ASN B 27 105.540 -13.578 28.614 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.505 -12.925 27.360 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.929 -10.197 27.605 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.613 -11.721 26.768 1.00 0.00 H new ATOM 1273 N LEU B 28 101.317 -12.174 29.300 1.00 0.00 N ATOM 1274 CA LEU B 28 100.108 -11.475 28.761 1.00 0.00 C ATOM 1275 C LEU B 28 99.701 -10.378 29.743 1.00 0.00 C ATOM 1276 O LEU B 28 99.961 -10.484 30.925 1.00 0.00 O ATOM 1277 CB LEU B 28 98.966 -12.489 28.637 1.00 0.00 C ATOM 1278 CG LEU B 28 99.268 -13.484 27.504 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.273 -14.648 27.578 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.151 -12.786 26.132 1.00 0.00 C ATOM 0 H LEU B 28 101.146 -12.749 30.125 1.00 0.00 H new ATOM 0 HA LEU B 28 100.324 -11.040 27.785 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.840 -13.024 29.578 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.028 -11.971 28.437 1.00 0.00 H new ATOM 0 HG LEU B 28 100.285 -13.859 27.618 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.482 -15.357 26.777 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.371 -15.149 28.541 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.258 -14.266 27.469 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.367 -13.503 25.340 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.140 -12.400 26.005 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.863 -11.962 26.081 1.00 0.00 H new ATOM 1292 N PRO B 29 99.069 -9.326 29.277 1.00 0.00 N ATOM 1293 CA PRO B 29 98.647 -8.221 30.176 1.00 0.00 C ATOM 1294 C PRO B 29 97.676 -8.725 31.249 1.00 0.00 C ATOM 1295 O PRO B 29 97.069 -9.769 31.105 1.00 0.00 O ATOM 1296 CB PRO B 29 97.976 -7.198 29.234 1.00 0.00 C ATOM 1297 CG PRO B 29 97.638 -7.964 27.995 1.00 0.00 C ATOM 1298 CD PRO B 29 98.695 -9.059 27.875 1.00 0.00 C ATOM 0 HA PRO B 29 99.482 -7.784 30.724 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.082 -6.772 29.689 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.647 -6.368 29.012 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.638 -8.393 28.062 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.648 -7.314 27.120 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.298 -9.950 27.388 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.551 -8.729 27.286 1.00 0.00 H new ATOM 1306 N PRO B 30 97.537 -7.998 32.320 1.00 0.00 N ATOM 1307 CA PRO B 30 96.635 -8.385 33.442 1.00 0.00 C ATOM 1308 C PRO B 30 95.211 -8.607 32.944 1.00 0.00 C ATOM 1309 O PRO B 30 94.496 -9.463 33.417 1.00 0.00 O ATOM 1310 CB PRO B 30 96.707 -7.181 34.408 1.00 0.00 C ATOM 1311 CG PRO B 30 97.277 -6.061 33.594 1.00 0.00 C ATOM 1312 CD PRO B 30 98.207 -6.718 32.583 1.00 0.00 C ATOM 0 HA PRO B 30 96.931 -9.320 33.918 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.720 -6.925 34.794 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.338 -7.403 35.269 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.488 -5.500 33.093 1.00 0.00 H new ATOM 0 HG3 PRO B 30 97.819 -5.356 34.224 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.309 -6.120 31.677 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.210 -6.860 32.986 1.00 0.00 H new ATOM 1320 N VAL B 31 94.795 -7.833 31.988 1.00 0.00 N ATOM 1321 CA VAL B 31 93.422 -7.984 31.461 1.00 0.00 C ATOM 1322 C VAL B 31 93.188 -9.423 31.013 1.00 0.00 C ATOM 1323 O VAL B 31 92.179 -10.024 31.350 1.00 0.00 O ATOM 1324 CB VAL B 31 93.234 -7.016 30.278 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.979 -7.370 29.459 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.097 -5.591 30.824 1.00 0.00 C ATOM 0 H VAL B 31 95.351 -7.100 31.548 1.00 0.00 H new ATOM 0 HA VAL B 31 92.699 -7.748 32.242 1.00 0.00 H new ATOM 0 HB VAL B 31 94.101 -7.095 29.622 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.875 -6.668 28.632 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.074 -8.382 29.066 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.098 -7.310 30.099 1.00 0.00 H new ATOM 0 HG21 VAL B 31 92.963 -4.895 29.996 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.233 -5.537 31.487 1.00 0.00 H new ATOM 0 HG23 VAL B 31 93.997 -5.326 31.379 1.00 0.00 H new ATOM 1336 N VAL B 32 94.081 -9.983 30.255 1.00 0.00 N ATOM 1337 CA VAL B 32 93.846 -11.381 29.804 1.00 0.00 C ATOM 1338 C VAL B 32 93.953 -12.326 30.996 1.00 0.00 C ATOM 1339 O VAL B 32 93.125 -13.192 31.195 1.00 0.00 O ATOM 1340 CB VAL B 32 94.866 -11.771 28.742 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.588 -13.206 28.273 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.747 -10.812 27.560 1.00 0.00 C ATOM 0 H VAL B 32 94.945 -9.548 29.933 1.00 0.00 H new ATOM 0 HA VAL B 32 92.847 -11.452 29.373 1.00 0.00 H new ATOM 0 HB VAL B 32 95.873 -11.716 29.157 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.317 -13.488 27.513 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.666 -13.887 29.120 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.584 -13.263 27.852 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.474 -11.085 26.795 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.742 -10.872 27.143 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.940 -9.793 27.897 1.00 0.00 H new ATOM 1352 N ALA B 33 94.969 -12.171 31.792 1.00 0.00 N ATOM 1353 CA ALA B 33 95.121 -13.064 32.969 1.00 0.00 C ATOM 1354 C ALA B 33 93.976 -12.819 33.956 1.00 0.00 C ATOM 1355 O ALA B 33 93.376 -13.746 34.465 1.00 0.00 O ATOM 1356 CB ALA B 33 96.454 -12.785 33.662 1.00 0.00 C ATOM 0 H ALA B 33 95.699 -11.467 31.680 1.00 0.00 H new ATOM 0 HA ALA B 33 95.096 -14.101 32.633 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.560 -13.443 34.525 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.272 -12.966 32.964 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.482 -11.747 33.992 1.00 0.00 H new ATOM 1362 N LYS B 34 93.664 -11.578 34.239 1.00 0.00 N ATOM 1363 CA LYS B 34 92.557 -11.300 35.199 1.00 0.00 C ATOM 1364 C LYS B 34 91.236 -11.860 34.662 1.00 0.00 C ATOM 1365 O LYS B 34 90.391 -12.298 35.416 1.00 0.00 O ATOM 1366 CB LYS B 34 92.437 -9.792 35.444 1.00 0.00 C ATOM 1367 CG LYS B 34 93.646 -9.316 36.268 1.00 0.00 C ATOM 1368 CD LYS B 34 93.576 -7.800 36.508 1.00 0.00 C ATOM 1369 CE LYS B 34 92.616 -7.477 37.662 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.029 -8.218 38.889 1.00 0.00 N ATOM 0 H LYS B 34 94.124 -10.755 33.850 1.00 0.00 H new ATOM 0 HA LYS B 34 92.782 -11.790 36.146 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.397 -9.259 34.494 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.511 -9.570 35.974 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.670 -9.840 37.224 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.570 -9.564 35.745 1.00 0.00 H new ATOM 0 HD2 LYS B 34 94.570 -7.417 36.737 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.243 -7.298 35.600 1.00 0.00 H new ATOM 0 HE2 LYS B 34 92.616 -6.405 37.857 1.00 0.00 H new ATOM 0 HE3 LYS B 34 91.598 -7.751 37.387 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 92.949 -7.592 39.716 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.412 -9.045 39.019 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 94.015 -8.534 38.788 1.00 0.00 H new ATOM 1384 N GLU B 35 91.040 -11.843 33.370 1.00 0.00 N ATOM 1385 CA GLU B 35 89.756 -12.371 32.819 1.00 0.00 C ATOM 1386 C GLU B 35 89.630 -13.863 33.110 1.00 0.00 C ATOM 1387 O GLU B 35 88.562 -14.347 33.427 1.00 0.00 O ATOM 1388 CB GLU B 35 89.693 -12.139 31.309 1.00 0.00 C ATOM 1389 CG GLU B 35 88.252 -12.360 30.812 1.00 0.00 C ATOM 1390 CD GLU B 35 87.960 -13.857 30.666 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.901 -14.625 30.580 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.792 -14.210 30.634 1.00 0.00 O ATOM 0 H GLU B 35 91.703 -11.491 32.680 1.00 0.00 H new ATOM 0 HA GLU B 35 88.932 -11.842 33.298 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.019 -11.126 31.073 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.373 -12.820 30.798 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.547 -11.912 31.512 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.111 -11.860 29.854 1.00 0.00 H new ATOM 1399 N ILE B 36 90.700 -14.608 33.004 1.00 0.00 N ATOM 1400 CA ILE B 36 90.591 -16.064 33.280 1.00 0.00 C ATOM 1401 C ILE B 36 90.105 -16.247 34.712 1.00 0.00 C ATOM 1402 O ILE B 36 89.279 -17.091 34.990 1.00 0.00 O ATOM 1403 CB ILE B 36 91.955 -16.738 33.097 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.372 -16.598 31.628 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.854 -18.223 33.472 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.725 -17.270 31.403 1.00 0.00 C ATOM 0 H ILE B 36 91.628 -14.275 32.743 1.00 0.00 H new ATOM 0 HA ILE B 36 89.887 -16.523 32.586 1.00 0.00 H new ATOM 0 HB ILE B 36 92.696 -16.265 33.741 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.620 -17.052 30.983 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.431 -15.544 31.357 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.826 -18.698 33.340 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.543 -18.315 34.513 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.121 -18.711 32.830 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.014 -17.166 30.357 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.476 -16.797 32.035 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.652 -18.328 31.656 1.00 0.00 H new ATOM 1418 N VAL B 37 90.590 -15.444 35.612 1.00 0.00 N ATOM 1419 CA VAL B 37 90.130 -15.562 37.015 1.00 0.00 C ATOM 1420 C VAL B 37 88.642 -15.214 37.063 1.00 0.00 C ATOM 1421 O VAL B 37 87.864 -15.839 37.761 1.00 0.00 O ATOM 1422 CB VAL B 37 90.922 -14.595 37.897 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.369 -14.631 39.326 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.398 -15.007 37.899 1.00 0.00 C ATOM 0 H VAL B 37 91.282 -14.715 35.437 1.00 0.00 H new ATOM 0 HA VAL B 37 90.287 -16.577 37.381 1.00 0.00 H new ATOM 0 HB VAL B 37 90.829 -13.582 37.506 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.935 -13.941 39.953 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.320 -14.336 39.318 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.459 -15.641 39.726 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.967 -14.321 38.526 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.493 -16.020 38.291 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.786 -14.974 36.881 1.00 0.00 H new ATOM 1434 N ALA B 38 88.253 -14.226 36.308 1.00 0.00 N ATOM 1435 CA ALA B 38 86.821 -13.816 36.273 1.00 0.00 C ATOM 1436 C ALA B 38 85.945 -14.983 35.801 1.00 0.00 C ATOM 1437 O ALA B 38 84.808 -15.115 36.209 1.00 0.00 O ATOM 1438 CB ALA B 38 86.669 -12.641 35.308 1.00 0.00 C ATOM 0 H ALA B 38 88.871 -13.680 35.708 1.00 0.00 H new ATOM 0 HA ALA B 38 86.504 -13.524 37.274 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.624 -12.331 35.273 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.283 -11.808 35.649 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.991 -12.944 34.312 1.00 0.00 H new ATOM 1444 N SER B 39 86.453 -15.823 34.938 1.00 0.00 N ATOM 1445 CA SER B 39 85.629 -16.966 34.446 1.00 0.00 C ATOM 1446 C SER B 39 85.630 -18.083 35.487 1.00 0.00 C ATOM 1447 O SER B 39 84.696 -18.863 35.577 1.00 0.00 O ATOM 1448 CB SER B 39 86.202 -17.495 33.126 1.00 0.00 C ATOM 1449 OG SER B 39 86.383 -16.414 32.222 1.00 0.00 O ATOM 0 H SER B 39 87.397 -15.768 34.555 1.00 0.00 H new ATOM 0 HA SER B 39 84.608 -16.623 34.280 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.153 -17.997 33.305 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.528 -18.235 32.695 1.00 0.00 H new ATOM 0 HG SER B 39 86.751 -16.751 31.379 1.00 0.00 H new ATOM 1455 N CYS B 40 86.664 -18.176 36.279 1.00 0.00 N ATOM 1456 CA CYS B 40 86.714 -19.247 37.319 1.00 0.00 C ATOM 1457 C CYS B 40 85.899 -18.800 38.535 1.00 0.00 C ATOM 1458 O CYS B 40 86.335 -17.990 39.328 1.00 0.00 O ATOM 1459 CB CYS B 40 88.166 -19.500 37.737 1.00 0.00 C ATOM 1460 SG CYS B 40 88.227 -20.763 39.036 1.00 0.00 S ATOM 0 H CYS B 40 87.475 -17.559 36.252 1.00 0.00 H new ATOM 0 HA CYS B 40 86.297 -20.169 36.914 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.750 -19.824 36.875 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.616 -18.575 38.097 1.00 0.00 H new ATOM 1465 N ASP B 41 84.715 -19.325 38.673 1.00 0.00 N ATOM 1466 CA ASP B 41 83.845 -18.949 39.824 1.00 0.00 C ATOM 1467 C ASP B 41 84.515 -19.340 41.148 1.00 0.00 C ATOM 1468 O ASP B 41 84.284 -18.729 42.169 1.00 0.00 O ATOM 1469 CB ASP B 41 82.502 -19.675 39.706 1.00 0.00 C ATOM 1470 CG ASP B 41 81.689 -19.113 38.535 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.036 -18.049 38.049 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.723 -19.756 38.151 1.00 0.00 O ATOM 0 H ASP B 41 84.307 -20.006 38.032 1.00 0.00 H new ATOM 0 HA ASP B 41 83.688 -17.871 39.809 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.670 -20.742 39.561 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.940 -19.565 40.633 1.00 0.00 H new ATOM 1477 N LYS B 42 85.326 -20.365 41.150 1.00 0.00 N ATOM 1478 CA LYS B 42 85.979 -20.794 42.425 1.00 0.00 C ATOM 1479 C LYS B 42 86.999 -19.746 42.865 1.00 0.00 C ATOM 1480 O LYS B 42 87.120 -19.439 44.032 1.00 0.00 O ATOM 1481 CB LYS B 42 86.692 -22.135 42.205 1.00 0.00 C ATOM 1482 CG LYS B 42 85.668 -23.200 41.814 1.00 0.00 C ATOM 1483 CD LYS B 42 86.348 -24.569 41.809 1.00 0.00 C ATOM 1484 CE LYS B 42 85.373 -25.630 41.300 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.127 -25.594 42.114 1.00 0.00 N ATOM 0 H LYS B 42 85.565 -20.922 40.329 1.00 0.00 H new ATOM 0 HA LYS B 42 85.219 -20.902 43.198 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.444 -22.035 41.423 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.215 -22.434 43.114 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.835 -23.197 42.517 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.255 -22.981 40.829 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.234 -24.543 41.175 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.683 -24.822 42.815 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.139 -25.450 40.251 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.830 -26.618 41.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 83.594 -26.475 41.972 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.372 -25.496 43.120 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 83.543 -24.785 41.820 1.00 0.00 H new ATOM 1499 N CYS B 43 87.725 -19.187 41.943 1.00 0.00 N ATOM 1500 CA CYS B 43 88.731 -18.151 42.302 1.00 0.00 C ATOM 1501 C CYS B 43 88.053 -16.782 42.365 1.00 0.00 C ATOM 1502 O CYS B 43 88.529 -15.869 43.008 1.00 0.00 O ATOM 1503 CB CYS B 43 89.828 -18.122 41.245 1.00 0.00 C ATOM 1504 SG CYS B 43 90.878 -19.587 41.430 1.00 0.00 S ATOM 0 H CYS B 43 87.665 -19.404 40.948 1.00 0.00 H new ATOM 0 HA CYS B 43 89.165 -18.388 43.273 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.388 -18.100 40.248 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.426 -17.217 41.350 1.00 0.00 H new ATOM 1509 N GLN B 44 86.945 -16.629 41.700 1.00 0.00 N ATOM 1510 CA GLN B 44 86.251 -15.311 41.725 1.00 0.00 C ATOM 1511 C GLN B 44 85.599 -15.112 43.090 1.00 0.00 C ATOM 1512 O GLN B 44 86.074 -14.344 43.906 1.00 0.00 O ATOM 1513 CB GLN B 44 85.169 -15.289 40.651 1.00 0.00 C ATOM 1514 CG GLN B 44 84.622 -13.872 40.505 1.00 0.00 C ATOM 1515 CD GLN B 44 83.493 -13.882 39.478 1.00 0.00 C ATOM 1516 OE1 GLN B 44 83.785 -14.016 38.215 1.00 0.00 O flip ATOM 1517 NE2 GLN B 44 82.333 -13.781 39.828 1.00 0.00 N flip ATOM 0 H GLN B 44 86.491 -17.353 41.143 1.00 0.00 H new ATOM 0 HA GLN B 44 86.973 -14.516 41.539 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.579 -15.631 39.701 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.364 -15.975 40.917 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.255 -13.509 41.465 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.414 -13.193 40.188 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.106 -13.676 40.817 1.00 0.00 H new ATOM 0 HE22 GLN B 44 81.587 -13.801 39.133 1.00 0.00 H new ATOM 1526 N LEU B 45 84.528 -15.805 43.352 1.00 0.00 N ATOM 1527 CA LEU B 45 83.862 -15.663 44.676 1.00 0.00 C ATOM 1528 C LEU B 45 84.606 -16.538 45.682 1.00 0.00 C ATOM 1529 O LEU B 45 84.581 -17.749 45.598 1.00 0.00 O ATOM 1530 CB LEU B 45 82.412 -16.134 44.582 1.00 0.00 C ATOM 1531 CG LEU B 45 81.732 -15.509 43.363 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.301 -16.040 43.264 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.701 -13.984 43.511 1.00 0.00 C ATOM 0 H LEU B 45 84.086 -16.462 42.709 1.00 0.00 H new ATOM 0 HA LEU B 45 83.878 -14.619 44.988 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.379 -17.221 44.508 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.873 -15.859 45.489 1.00 0.00 H new ATOM 0 HG LEU B 45 82.288 -15.769 42.462 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.809 -15.599 42.397 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.322 -17.125 43.157 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.751 -15.775 44.167 1.00 0.00 H new ATOM 0 HD21 LEU B 45 81.216 -13.544 42.640 1.00 0.00 H new ATOM 0 HD22 LEU B 45 81.145 -13.717 44.410 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.720 -13.605 43.589 1.00 0.00 H new ATOM 1545 N LYS B 46 85.272 -15.939 46.626 1.00 0.00 N ATOM 1546 CA LYS B 46 86.020 -16.742 47.631 1.00 0.00 C ATOM 1547 C LYS B 46 85.101 -17.075 48.807 1.00 0.00 C ATOM 1548 O LYS B 46 84.635 -18.191 48.946 1.00 0.00 O ATOM 1549 CB LYS B 46 87.228 -15.939 48.124 1.00 0.00 C ATOM 1550 CG LYS B 46 88.164 -16.865 48.900 1.00 0.00 C ATOM 1551 CD LYS B 46 89.326 -16.063 49.490 1.00 0.00 C ATOM 1552 CE LYS B 46 90.313 -17.022 50.163 1.00 0.00 C ATOM 1553 NZ LYS B 46 90.910 -17.935 49.144 1.00 0.00 N ATOM 0 H LYS B 46 85.331 -14.928 46.746 1.00 0.00 H new ATOM 0 HA LYS B 46 86.366 -17.670 47.175 1.00 0.00 H new ATOM 0 HB2 LYS B 46 87.754 -15.495 47.279 1.00 0.00 H new ATOM 0 HB3 LYS B 46 86.899 -15.118 48.761 1.00 0.00 H new ATOM 0 HG2 LYS B 46 87.615 -17.365 49.698 1.00 0.00 H new ATOM 0 HG3 LYS B 46 88.547 -17.644 48.240 1.00 0.00 H new ATOM 0 HD2 LYS B 46 89.828 -15.498 48.705 1.00 0.00 H new ATOM 0 HD3 LYS B 46 88.953 -15.339 50.215 1.00 0.00 H new ATOM 0 HE2 LYS B 46 91.100 -16.456 50.662 1.00 0.00 H new ATOM 0 HE3 LYS B 46 89.802 -17.604 50.930 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 91.820 -18.297 49.493 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 90.264 -18.731 48.970 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 91.063 -17.413 48.257 1.00 0.00 H new ATOM 1567 N GLY B 47 84.834 -16.121 49.663 1.00 0.00 N ATOM 1568 CA GLY B 47 83.946 -16.391 50.835 1.00 0.00 C ATOM 1569 C GLY B 47 82.508 -15.977 50.519 1.00 0.00 C ATOM 1570 O GLY B 47 82.239 -14.845 50.175 1.00 0.00 O ATOM 0 H GLY B 47 85.192 -15.168 49.601 1.00 0.00 H new ATOM 0 HA2 GLY B 47 83.979 -17.451 51.088 1.00 0.00 H new ATOM 0 HA3 GLY B 47 84.306 -15.844 51.706 1.00 0.00 H new ATOM 1574 N GLU B 48 81.575 -16.882 50.665 1.00 0.00 N ATOM 1575 CA GLU B 48 80.151 -16.536 50.405 1.00 0.00 C ATOM 1576 C GLU B 48 79.556 -15.973 51.695 1.00 0.00 C ATOM 1577 O GLU B 48 79.842 -16.451 52.777 1.00 0.00 O ATOM 1578 CB GLU B 48 79.383 -17.789 49.979 1.00 0.00 C ATOM 1579 CG GLU B 48 79.441 -18.838 51.089 1.00 0.00 C ATOM 1580 CD GLU B 48 78.936 -20.173 50.538 1.00 0.00 C ATOM 1581 OE1 GLU B 48 78.223 -20.147 49.549 1.00 0.00 O ATOM 1582 OE2 GLU B 48 79.268 -21.201 51.114 1.00 0.00 O ATOM 0 H GLU B 48 81.741 -17.846 50.954 1.00 0.00 H new ATOM 0 HA GLU B 48 80.080 -15.799 49.605 1.00 0.00 H new ATOM 0 HB2 GLU B 48 78.346 -17.534 49.762 1.00 0.00 H new ATOM 0 HB3 GLU B 48 79.811 -18.194 49.062 1.00 0.00 H new ATOM 0 HG2 GLU B 48 80.462 -18.944 51.455 1.00 0.00 H new ATOM 0 HG3 GLU B 48 78.830 -18.525 51.936 1.00 0.00 H new ATOM 1589 N ALA B 49 78.744 -14.954 51.605 1.00 0.00 N ATOM 1590 CA ALA B 49 78.156 -14.359 52.847 1.00 0.00 C ATOM 1591 C ALA B 49 76.955 -15.184 53.315 1.00 0.00 C ATOM 1592 O ALA B 49 76.266 -15.794 52.524 1.00 0.00 O ATOM 1593 CB ALA B 49 77.719 -12.918 52.573 1.00 0.00 C ATOM 0 H ALA B 49 78.462 -14.508 50.732 1.00 0.00 H new ATOM 0 HA ALA B 49 78.913 -14.365 53.632 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.292 -12.489 53.479 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.582 -12.328 52.264 1.00 0.00 H new ATOM 0 HB3 ALA B 49 76.971 -12.909 51.780 1.00 0.00 H new ATOM 1599 N MET B 50 76.712 -15.212 54.600 1.00 0.00 N ATOM 1600 CA MET B 50 75.566 -16.005 55.139 1.00 0.00 C ATOM 1601 C MET B 50 75.508 -15.834 56.670 1.00 0.00 C ATOM 1602 O MET B 50 76.507 -15.567 57.312 1.00 0.00 O ATOM 1603 CB MET B 50 75.780 -17.498 54.776 1.00 0.00 C ATOM 1604 CG MET B 50 74.661 -18.007 53.856 1.00 0.00 C ATOM 1605 SD MET B 50 73.072 -17.903 54.717 1.00 0.00 S ATOM 1606 CE MET B 50 73.097 -19.549 55.468 1.00 0.00 C ATOM 0 H MET B 50 77.261 -14.717 55.303 1.00 0.00 H new ATOM 0 HA MET B 50 74.627 -15.658 54.708 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.745 -17.621 54.284 1.00 0.00 H new ATOM 0 HB3 MET B 50 75.808 -18.097 55.686 1.00 0.00 H new ATOM 0 HG2 MET B 50 74.630 -17.414 52.942 1.00 0.00 H new ATOM 0 HG3 MET B 50 74.859 -19.037 53.561 1.00 0.00 H new ATOM 0 HE1 MET B 50 72.275 -19.637 56.179 1.00 0.00 H new ATOM 0 HE2 MET B 50 72.987 -20.305 54.691 1.00 0.00 H new ATOM 0 HE3 MET B 50 74.044 -19.698 55.987 1.00 0.00 H new ATOM 1616 N HIS B 51 74.351 -16.008 57.258 1.00 0.00 N ATOM 1617 CA HIS B 51 74.236 -15.877 58.741 1.00 0.00 C ATOM 1618 C HIS B 51 74.899 -14.584 59.210 1.00 0.00 C ATOM 1619 O HIS B 51 74.332 -13.514 59.112 1.00 0.00 O ATOM 1620 CB HIS B 51 74.924 -17.067 59.412 1.00 0.00 C ATOM 1621 CG HIS B 51 74.113 -18.308 59.178 1.00 0.00 C ATOM 1622 ND1 HIS B 51 72.732 -18.318 59.317 1.00 0.00 N ATOM 1623 CD2 HIS B 51 74.465 -19.589 58.824 1.00 0.00 C ATOM 1624 CE1 HIS B 51 72.306 -19.563 59.053 1.00 0.00 C ATOM 1625 NE2 HIS B 51 73.322 -20.375 58.748 1.00 0.00 N ATOM 0 H HIS B 51 73.482 -16.235 56.775 1.00 0.00 H new ATOM 0 HA HIS B 51 73.181 -15.856 59.013 1.00 0.00 H new ATOM 0 HB2 HIS B 51 75.929 -17.195 59.010 1.00 0.00 H new ATOM 0 HB3 HIS B 51 75.030 -16.885 60.481 1.00 0.00 H new ATOM 0 HD2 HIS B 51 75.472 -19.931 58.635 1.00 0.00 H new ATOM 0 HE1 HIS B 51 71.271 -19.870 59.083 1.00 0.00 H new ATOM 0 HE2 HIS B 51 73.270 -21.365 58.509 1.00 0.00 H new ATOM 1633 N GLY B 52 76.096 -14.673 59.726 1.00 0.00 N ATOM 1634 CA GLY B 52 76.792 -13.445 60.202 1.00 0.00 C ATOM 1635 C GLY B 52 76.361 -13.129 61.632 1.00 0.00 C ATOM 1636 O GLY B 52 77.109 -13.301 62.575 1.00 0.00 O ATOM 0 H GLY B 52 76.620 -15.541 59.838 1.00 0.00 H new ATOM 0 HA2 GLY B 52 77.872 -13.589 60.161 1.00 0.00 H new ATOM 0 HA3 GLY B 52 76.557 -12.606 59.548 1.00 0.00 H new ATOM 1640 N GLN B 53 75.158 -12.651 61.804 1.00 0.00 N ATOM 1641 CA GLN B 53 74.666 -12.306 63.170 1.00 0.00 C ATOM 1642 C GLN B 53 73.840 -13.473 63.730 1.00 0.00 C ATOM 1643 O GLN B 53 73.129 -14.142 63.011 1.00 0.00 O ATOM 1644 CB GLN B 53 73.790 -11.053 63.087 1.00 0.00 C ATOM 1645 CG GLN B 53 74.654 -9.836 62.747 1.00 0.00 C ATOM 1646 CD GLN B 53 73.795 -8.576 62.828 1.00 0.00 C ATOM 1647 OE1 GLN B 53 72.506 -8.699 62.983 1.00 0.00 O flip ATOM 1648 NE2 GLN B 53 74.297 -7.472 62.762 1.00 0.00 N flip ATOM 0 H GLN B 53 74.490 -12.483 61.052 1.00 0.00 H new ATOM 0 HA GLN B 53 75.515 -12.118 63.828 1.00 0.00 H new ATOM 0 HB2 GLN B 53 73.020 -11.187 62.328 1.00 0.00 H new ATOM 0 HB3 GLN B 53 73.278 -10.893 64.036 1.00 0.00 H new ATOM 0 HG2 GLN B 53 75.493 -9.765 63.440 1.00 0.00 H new ATOM 0 HG3 GLN B 53 75.075 -9.941 61.747 1.00 0.00 H new ATOM 0 HE21 GLN B 53 75.305 -7.377 62.641 1.00 0.00 H new ATOM 0 HE22 GLN B 53 73.710 -6.640 62.828 1.00 0.00 H new ATOM 1657 N VAL B 54 73.935 -13.723 65.010 1.00 0.00 N ATOM 1658 CA VAL B 54 73.167 -14.839 65.645 1.00 0.00 C ATOM 1659 C VAL B 54 73.215 -16.085 64.765 1.00 0.00 C ATOM 1660 O VAL B 54 74.139 -16.287 64.005 1.00 0.00 O ATOM 1661 CB VAL B 54 71.706 -14.431 65.914 1.00 0.00 C ATOM 1662 CG1 VAL B 54 71.694 -13.209 66.832 1.00 0.00 C ATOM 1663 CG2 VAL B 54 70.962 -14.098 64.614 1.00 0.00 C ATOM 0 H VAL B 54 74.522 -13.193 65.654 1.00 0.00 H new ATOM 0 HA VAL B 54 73.635 -15.064 66.603 1.00 0.00 H new ATOM 0 HB VAL B 54 71.196 -15.272 66.385 1.00 0.00 H new ATOM 0 HG11 VAL B 54 70.664 -12.912 67.029 1.00 0.00 H new ATOM 0 HG12 VAL B 54 72.186 -13.456 67.773 1.00 0.00 H new ATOM 0 HG13 VAL B 54 72.223 -12.387 66.350 1.00 0.00 H new ATOM 0 HG21 VAL B 54 69.935 -13.815 64.845 1.00 0.00 H new ATOM 0 HG22 VAL B 54 71.462 -13.271 64.110 1.00 0.00 H new ATOM 0 HG23 VAL B 54 70.960 -14.972 63.962 1.00 0.00 H new ATOM 1673 N ASP B 55 72.218 -16.925 64.864 1.00 0.00 N ATOM 1674 CA ASP B 55 72.195 -18.164 64.034 1.00 0.00 C ATOM 1675 C ASP B 55 70.747 -18.584 63.773 1.00 0.00 C ATOM 1676 O ASP B 55 70.260 -18.323 62.688 1.00 0.00 O ATOM 1677 CB ASP B 55 72.913 -19.287 64.780 1.00 0.00 C ATOM 1678 CG ASP B 55 73.060 -20.489 63.850 1.00 0.00 C ATOM 1679 OD1 ASP B 55 72.386 -20.508 62.837 1.00 0.00 O ATOM 1680 OD2 ASP B 55 73.838 -21.373 64.171 1.00 0.00 O ATOM 1681 OXT ASP B 55 70.155 -19.169 64.663 1.00 0.00 O ATOM 0 H ASP B 55 71.418 -16.806 65.485 1.00 0.00 H new ATOM 0 HA ASP B 55 72.695 -17.970 63.085 1.00 0.00 H new ATOM 0 HB2 ASP B 55 73.893 -18.949 65.116 1.00 0.00 H new ATOM 0 HB3 ASP B 55 72.350 -19.567 65.671 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.213 -1.903 35.766 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.424 -21.017 39.682 1.00 0.00 ZN