USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 577 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.248 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= 0.624 F(o=-1.6,f=0.62) USER MOD Single : A 22 GLN :FLIP amide:sc= -1.13 F(o=-3,f=-1.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -135:sc= 0.745 (180deg=0.147) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc=0.000315 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN :FLIP amide:sc= -12.2! C(o=-14!,f=-12!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0436 USER MOD Single : A 67 GLN : amide:sc= -0.0375 X(o=-0.037,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 94:sc= 0.996 USER MOD Single : A 75 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.075) USER MOD ----------------------------------------------------------------- ATOM 48 N GLU A 4 6.247 -4.038 3.329 1.00 0.00 N ATOM 49 CA GLU A 4 5.844 -4.262 4.707 1.00 0.00 C ATOM 50 C GLU A 4 4.330 -4.470 4.790 1.00 0.00 C ATOM 51 O GLU A 4 3.863 -5.408 5.434 1.00 0.00 O ATOM 52 CB GLU A 4 6.288 -3.105 5.604 1.00 0.00 C ATOM 53 CG GLU A 4 7.101 -3.616 6.795 1.00 0.00 C ATOM 54 CD GLU A 4 6.208 -3.819 8.021 1.00 0.00 C ATOM 55 OE1 GLU A 4 5.110 -4.388 7.836 1.00 0.00 O ATOM 56 OE2 GLU A 4 6.643 -3.400 9.116 1.00 0.00 O ATOM 0 HA GLU A 4 6.336 -5.166 5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.886 -2.401 5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.414 -2.561 5.962 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.585 -4.557 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.893 -2.905 7.031 1.00 0.00 H new ATOM 63 N GLU A 5 3.605 -3.579 4.129 1.00 0.00 N ATOM 64 CA GLU A 5 2.154 -3.653 4.120 1.00 0.00 C ATOM 65 C GLU A 5 1.691 -4.897 3.358 1.00 0.00 C ATOM 66 O GLU A 5 0.630 -5.447 3.649 1.00 0.00 O ATOM 67 CB GLU A 5 1.544 -2.384 3.521 1.00 0.00 C ATOM 68 CG GLU A 5 1.067 -1.434 4.621 1.00 0.00 C ATOM 69 CD GLU A 5 -0.314 -0.863 4.292 1.00 0.00 C ATOM 70 OE1 GLU A 5 -1.230 -1.685 4.075 1.00 0.00 O ATOM 71 OE2 GLU A 5 -0.421 0.382 4.265 1.00 0.00 O ATOM 0 H GLU A 5 3.996 -2.802 3.596 1.00 0.00 H new ATOM 0 HA GLU A 5 1.807 -3.732 5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.282 -1.881 2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.707 -2.648 2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.028 -1.964 5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.782 -0.620 4.739 1.00 0.00 H new ATOM 78 N LEU A 6 2.509 -5.302 2.398 1.00 0.00 N ATOM 79 CA LEU A 6 2.197 -6.470 1.593 1.00 0.00 C ATOM 80 C LEU A 6 2.216 -7.717 2.480 1.00 0.00 C ATOM 81 O LEU A 6 1.385 -8.610 2.321 1.00 0.00 O ATOM 82 CB LEU A 6 3.137 -6.558 0.389 1.00 0.00 C ATOM 83 CG LEU A 6 2.704 -5.784 -0.858 1.00 0.00 C ATOM 84 CD1 LEU A 6 3.818 -5.765 -1.906 1.00 0.00 C ATOM 85 CD2 LEU A 6 1.395 -6.342 -1.422 1.00 0.00 C ATOM 0 H LEU A 6 3.388 -4.842 2.160 1.00 0.00 H new ATOM 0 HA LEU A 6 1.192 -6.389 1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.120 -6.197 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.252 -7.608 0.119 1.00 0.00 H new ATOM 0 HG LEU A 6 2.516 -4.750 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.484 -5.209 -2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.703 -5.286 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.062 -6.787 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.109 -5.775 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.532 -7.389 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.610 -6.260 -0.670 1.00 0.00 H new ATOM 97 N LYS A 7 3.173 -7.737 3.396 1.00 0.00 N ATOM 98 CA LYS A 7 3.311 -8.859 4.309 1.00 0.00 C ATOM 99 C LYS A 7 2.078 -8.932 5.211 1.00 0.00 C ATOM 100 O LYS A 7 1.441 -9.980 5.315 1.00 0.00 O ATOM 101 CB LYS A 7 4.631 -8.765 5.077 1.00 0.00 C ATOM 102 CG LYS A 7 5.231 -10.153 5.309 1.00 0.00 C ATOM 103 CD LYS A 7 4.758 -10.740 6.640 1.00 0.00 C ATOM 104 CE LYS A 7 5.384 -9.996 7.821 1.00 0.00 C ATOM 105 NZ LYS A 7 5.693 -10.936 8.922 1.00 0.00 N ATOM 0 H LYS A 7 3.860 -6.994 3.526 1.00 0.00 H new ATOM 0 HA LYS A 7 3.357 -9.797 3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.337 -8.148 4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.464 -8.272 6.035 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.946 -10.817 4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.319 -10.088 5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.671 -10.680 6.702 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.022 -11.796 6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.295 -9.492 7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.701 -9.224 8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.117 -10.414 9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.817 -11.398 9.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.362 -11.657 8.585 1.00 0.00 H new ATOM 119 N GLY A 8 1.778 -7.806 5.841 1.00 0.00 N ATOM 120 CA GLY A 8 0.632 -7.729 6.731 1.00 0.00 C ATOM 121 C GLY A 8 -0.656 -8.118 6.002 1.00 0.00 C ATOM 122 O GLY A 8 -1.358 -9.037 6.422 1.00 0.00 O ATOM 0 H GLY A 8 2.309 -6.939 5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.785 -8.390 7.584 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.540 -6.717 7.124 1.00 0.00 H new ATOM 126 N ILE A 9 -0.927 -7.399 4.923 1.00 0.00 N ATOM 127 CA ILE A 9 -2.118 -7.657 4.132 1.00 0.00 C ATOM 128 C ILE A 9 -2.146 -9.132 3.726 1.00 0.00 C ATOM 129 O ILE A 9 -3.171 -9.798 3.863 1.00 0.00 O ATOM 130 CB ILE A 9 -2.194 -6.691 2.947 1.00 0.00 C ATOM 131 CG1 ILE A 9 -2.768 -5.340 3.378 1.00 0.00 C ATOM 132 CG2 ILE A 9 -2.982 -7.306 1.789 1.00 0.00 C ATOM 133 CD1 ILE A 9 -3.078 -4.464 2.162 1.00 0.00 C ATOM 0 H ILE A 9 -0.342 -6.638 4.578 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.015 -7.472 4.723 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.181 -6.510 2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.676 -5.496 3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.057 -4.829 4.027 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.021 -6.600 0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.492 -8.223 1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.995 -7.534 2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.485 -3.509 2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.163 -4.291 1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.807 -4.967 1.527 1.00 0.00 H new ATOM 145 N PHE A 10 -1.007 -9.598 3.234 1.00 0.00 N ATOM 146 CA PHE A 10 -0.888 -10.982 2.807 1.00 0.00 C ATOM 147 C PHE A 10 -1.370 -11.937 3.901 1.00 0.00 C ATOM 148 O PHE A 10 -2.238 -12.774 3.660 1.00 0.00 O ATOM 149 CB PHE A 10 0.596 -11.241 2.539 1.00 0.00 C ATOM 150 CG PHE A 10 1.004 -12.710 2.667 1.00 0.00 C ATOM 151 CD1 PHE A 10 1.355 -13.215 3.880 1.00 0.00 C ATOM 152 CD2 PHE A 10 1.017 -13.510 1.567 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.734 -14.579 3.998 1.00 0.00 C ATOM 154 CE2 PHE A 10 1.396 -14.873 1.686 1.00 0.00 C ATOM 155 CZ PHE A 10 1.747 -15.379 2.899 1.00 0.00 C ATOM 0 H PHE A 10 -0.159 -9.042 3.122 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.498 -11.151 1.920 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.840 -10.893 1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.189 -10.648 3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.346 -12.579 4.753 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.739 -13.109 0.604 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.012 -14.981 4.961 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.406 -15.509 0.813 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.036 -16.416 2.989 1.00 0.00 H new ATOM 165 N GLU A 11 -0.786 -11.779 5.080 1.00 0.00 N ATOM 166 CA GLU A 11 -1.146 -12.617 6.211 1.00 0.00 C ATOM 167 C GLU A 11 -2.622 -12.427 6.564 1.00 0.00 C ATOM 168 O GLU A 11 -3.324 -13.395 6.854 1.00 0.00 O ATOM 169 CB GLU A 11 -0.252 -12.322 7.418 1.00 0.00 C ATOM 170 CG GLU A 11 0.537 -13.565 7.832 1.00 0.00 C ATOM 171 CD GLU A 11 0.595 -13.696 9.356 1.00 0.00 C ATOM 172 OE1 GLU A 11 1.463 -13.022 9.950 1.00 0.00 O ATOM 173 OE2 GLU A 11 -0.231 -14.466 9.891 1.00 0.00 O ATOM 0 H GLU A 11 -0.066 -11.083 5.276 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.991 -13.659 5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.437 -11.513 7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.863 -11.980 8.253 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.073 -14.454 7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.548 -13.509 7.430 1.00 0.00 H new ATOM 180 N LYS A 12 -3.051 -11.174 6.528 1.00 0.00 N ATOM 181 CA LYS A 12 -4.431 -10.845 6.840 1.00 0.00 C ATOM 182 C LYS A 12 -5.360 -11.634 5.915 1.00 0.00 C ATOM 183 O LYS A 12 -6.514 -11.887 6.257 1.00 0.00 O ATOM 184 CB LYS A 12 -4.648 -9.332 6.783 1.00 0.00 C ATOM 185 CG LYS A 12 -5.720 -8.893 7.783 1.00 0.00 C ATOM 186 CD LYS A 12 -6.879 -8.192 7.072 1.00 0.00 C ATOM 187 CE LYS A 12 -7.814 -7.520 8.079 1.00 0.00 C ATOM 188 NZ LYS A 12 -9.172 -7.377 7.509 1.00 0.00 N ATOM 0 H LYS A 12 -2.466 -10.374 6.287 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.671 -11.140 7.862 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.711 -8.818 7.000 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.945 -9.041 5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.094 -9.761 8.326 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.281 -8.221 8.520 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.488 -7.446 6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.438 -8.916 6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.858 -8.111 8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.422 -6.540 8.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.794 -6.919 8.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.128 -6.795 6.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.550 -8.317 7.272 1.00 0.00 H new ATOM 202 N TYR A 13 -4.822 -12.002 4.761 1.00 0.00 N ATOM 203 CA TYR A 13 -5.589 -12.757 3.785 1.00 0.00 C ATOM 204 C TYR A 13 -5.327 -14.258 3.925 1.00 0.00 C ATOM 205 O TYR A 13 -6.246 -15.066 3.798 1.00 0.00 O ATOM 206 CB TYR A 13 -5.098 -12.292 2.413 1.00 0.00 C ATOM 207 CG TYR A 13 -5.992 -11.237 1.757 1.00 0.00 C ATOM 208 CD1 TYR A 13 -5.900 -9.917 2.146 1.00 0.00 C ATOM 209 CD2 TYR A 13 -6.890 -11.607 0.776 1.00 0.00 C ATOM 210 CE1 TYR A 13 -6.741 -8.924 1.529 1.00 0.00 C ATOM 211 CE2 TYR A 13 -7.731 -10.614 0.159 1.00 0.00 C ATOM 212 CZ TYR A 13 -7.615 -9.322 0.566 1.00 0.00 C ATOM 213 OH TYR A 13 -8.410 -8.385 -0.017 1.00 0.00 O ATOM 0 H TYR A 13 -3.864 -11.791 4.480 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.657 -12.592 3.925 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.091 -11.887 2.517 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.027 -13.156 1.752 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.197 -9.628 2.913 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.962 -12.641 0.471 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.679 -7.887 1.824 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -8.438 -10.889 -0.610 1.00 0.00 H new ATOM 0 HH TYR A 13 -8.983 -8.813 -0.687 1.00 0.00 H new ATOM 223 N ALA A 14 -4.070 -14.586 4.184 1.00 0.00 N ATOM 224 CA ALA A 14 -3.676 -15.975 4.343 1.00 0.00 C ATOM 225 C ALA A 14 -4.337 -16.548 5.599 1.00 0.00 C ATOM 226 O ALA A 14 -4.516 -17.760 5.712 1.00 0.00 O ATOM 227 CB ALA A 14 -2.150 -16.071 4.392 1.00 0.00 C ATOM 0 H ALA A 14 -3.311 -13.913 4.288 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.013 -16.569 3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.855 -17.113 4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.731 -15.679 3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.776 -15.489 5.234 1.00 0.00 H new ATOM 233 N ALA A 15 -4.681 -15.650 6.510 1.00 0.00 N ATOM 234 CA ALA A 15 -5.318 -16.051 7.753 1.00 0.00 C ATOM 235 C ALA A 15 -6.821 -16.213 7.521 1.00 0.00 C ATOM 236 O ALA A 15 -7.500 -16.896 8.286 1.00 0.00 O ATOM 237 CB ALA A 15 -5.003 -15.023 8.842 1.00 0.00 C ATOM 0 H ALA A 15 -4.531 -14.646 6.412 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.931 -17.013 8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.481 -15.323 9.775 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.924 -14.967 8.988 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.379 -14.046 8.540 1.00 0.00 H new ATOM 243 N LYS A 16 -7.297 -15.572 6.463 1.00 0.00 N ATOM 244 CA LYS A 16 -8.708 -15.637 6.122 1.00 0.00 C ATOM 245 C LYS A 16 -9.133 -17.102 6.002 1.00 0.00 C ATOM 246 O LYS A 16 -9.933 -17.587 6.801 1.00 0.00 O ATOM 247 CB LYS A 16 -8.994 -14.809 4.867 1.00 0.00 C ATOM 248 CG LYS A 16 -10.155 -13.842 5.101 1.00 0.00 C ATOM 249 CD LYS A 16 -10.665 -13.266 3.778 1.00 0.00 C ATOM 250 CE LYS A 16 -12.165 -12.972 3.849 1.00 0.00 C ATOM 251 NZ LYS A 16 -12.409 -11.695 4.555 1.00 0.00 N ATOM 0 H LYS A 16 -6.731 -15.006 5.831 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.312 -15.194 6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.102 -14.250 4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.231 -15.473 4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.966 -14.359 5.613 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.832 -13.031 5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.122 -12.350 3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.467 -13.971 2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.580 -12.923 2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.677 -13.784 4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.432 -11.510 4.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.030 -11.755 5.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.937 -10.921 4.046 1.00 0.00 H new ATOM 265 N GLU A 17 -8.578 -17.766 4.999 1.00 0.00 N ATOM 266 CA GLU A 17 -8.890 -19.166 4.765 1.00 0.00 C ATOM 267 C GLU A 17 -7.637 -20.025 4.945 1.00 0.00 C ATOM 268 O GLU A 17 -6.590 -19.732 4.369 1.00 0.00 O ATOM 269 CB GLU A 17 -9.498 -19.367 3.376 1.00 0.00 C ATOM 270 CG GLU A 17 -10.971 -18.955 3.357 1.00 0.00 C ATOM 271 CD GLU A 17 -11.835 -20.037 2.706 1.00 0.00 C ATOM 272 OE1 GLU A 17 -11.766 -20.147 1.463 1.00 0.00 O ATOM 273 OE2 GLU A 17 -12.546 -20.729 3.467 1.00 0.00 O ATOM 0 H GLU A 17 -7.914 -17.361 4.339 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.632 -19.481 5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.943 -18.780 2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.405 -20.413 3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.315 -18.774 4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.083 -18.018 2.811 1.00 0.00 H new ATOM 280 N GLY A 18 -7.785 -21.070 5.746 1.00 0.00 N ATOM 281 CA GLY A 18 -6.679 -21.974 6.009 1.00 0.00 C ATOM 282 C GLY A 18 -5.561 -21.265 6.778 1.00 0.00 C ATOM 283 O GLY A 18 -5.677 -20.083 7.099 1.00 0.00 O ATOM 0 H GLY A 18 -8.655 -21.311 6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.033 -22.830 6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.289 -22.361 5.067 1.00 0.00 H new ATOM 287 N ASP A 19 -4.505 -22.017 7.050 1.00 0.00 N ATOM 288 CA ASP A 19 -3.368 -21.475 7.775 1.00 0.00 C ATOM 289 C ASP A 19 -2.809 -20.272 7.012 1.00 0.00 C ATOM 290 O ASP A 19 -2.691 -20.309 5.788 1.00 0.00 O ATOM 291 CB ASP A 19 -2.252 -22.513 7.904 1.00 0.00 C ATOM 292 CG ASP A 19 -1.416 -22.408 9.181 1.00 0.00 C ATOM 293 OD1 ASP A 19 -0.467 -21.595 9.173 1.00 0.00 O ATOM 294 OD2 ASP A 19 -1.745 -23.144 10.137 1.00 0.00 O ATOM 0 H ASP A 19 -4.412 -22.997 6.782 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.708 -21.186 8.769 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.695 -23.508 7.858 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.588 -22.420 7.044 1.00 0.00 H new ATOM 299 N PRO A 20 -2.470 -19.207 7.787 1.00 0.00 N ATOM 300 CA PRO A 20 -1.926 -17.995 7.197 1.00 0.00 C ATOM 301 C PRO A 20 -0.469 -18.197 6.777 1.00 0.00 C ATOM 302 O PRO A 20 0.144 -17.299 6.201 1.00 0.00 O ATOM 303 CB PRO A 20 -2.094 -16.928 8.266 1.00 0.00 C ATOM 304 CG PRO A 20 -2.296 -17.676 9.574 1.00 0.00 C ATOM 305 CD PRO A 20 -2.596 -19.128 9.239 1.00 0.00 C ATOM 0 HA PRO A 20 -2.440 -17.705 6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.216 -16.284 8.316 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.948 -16.287 8.047 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.404 -17.604 10.196 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.117 -17.238 10.142 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.896 -19.801 9.734 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.597 -19.411 9.566 1.00 0.00 H new ATOM 313 N ASN A 21 0.043 -19.380 7.081 1.00 0.00 N ATOM 314 CA ASN A 21 1.417 -19.711 6.742 1.00 0.00 C ATOM 315 C ASN A 21 1.457 -20.333 5.345 1.00 0.00 C ATOM 316 O ASN A 21 2.519 -20.736 4.872 1.00 0.00 O ATOM 317 CB ASN A 21 1.999 -20.725 7.729 1.00 0.00 C ATOM 318 CG ASN A 21 2.167 -20.105 9.118 1.00 0.00 C ATOM 319 OD1 ASN A 21 3.236 -19.323 9.235 1.00 0.00 O flip ATOM 320 ND2 ASN A 21 1.377 -20.322 10.022 1.00 0.00 N flip ATOM 0 H ASN A 21 -0.469 -20.122 7.559 1.00 0.00 H new ATOM 0 HA ASN A 21 2.004 -18.794 6.780 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.344 -21.594 7.792 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.964 -21.079 7.366 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.576 -20.934 9.864 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.517 -19.892 10.936 1.00 0.00 H new ATOM 327 N GLN A 22 0.288 -20.393 4.725 1.00 0.00 N ATOM 328 CA GLN A 22 0.177 -20.959 3.391 1.00 0.00 C ATOM 329 C GLN A 22 -0.997 -20.325 2.642 1.00 0.00 C ATOM 330 O GLN A 22 -2.108 -20.259 3.164 1.00 0.00 O ATOM 331 CB GLN A 22 0.030 -22.481 3.453 1.00 0.00 C ATOM 332 CG GLN A 22 -0.954 -22.893 4.550 1.00 0.00 C ATOM 333 CD GLN A 22 -0.327 -23.925 5.490 1.00 0.00 C ATOM 334 OE1 GLN A 22 0.698 -23.458 6.198 1.00 0.00 O flip ATOM 335 NE2 GLN A 22 -0.745 -25.068 5.567 1.00 0.00 N flip ATOM 0 H GLN A 22 -0.591 -20.059 5.121 1.00 0.00 H new ATOM 0 HA GLN A 22 1.094 -20.737 2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.316 -22.856 2.490 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.002 -22.936 3.642 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.258 -22.015 5.119 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.855 -23.308 4.098 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.537 -25.361 4.994 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.303 -25.731 6.204 1.00 0.00 H new ATOM 344 N LEU A 23 -0.709 -19.876 1.429 1.00 0.00 N ATOM 345 CA LEU A 23 -1.726 -19.249 0.602 1.00 0.00 C ATOM 346 C LEU A 23 -2.489 -20.330 -0.167 1.00 0.00 C ATOM 347 O LEU A 23 -2.020 -21.461 -0.284 1.00 0.00 O ATOM 348 CB LEU A 23 -1.103 -18.179 -0.296 1.00 0.00 C ATOM 349 CG LEU A 23 -0.921 -16.797 0.335 1.00 0.00 C ATOM 350 CD1 LEU A 23 -2.200 -15.967 0.216 1.00 0.00 C ATOM 351 CD2 LEU A 23 -0.446 -16.914 1.785 1.00 0.00 C ATOM 0 H LEU A 23 0.214 -19.934 0.999 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.453 -18.726 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.128 -18.535 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.725 -18.072 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.143 -16.270 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.043 -14.990 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.454 -15.840 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.015 -16.479 0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.325 -15.917 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.183 -17.469 2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.509 -17.439 1.814 1.00 0.00 H new ATOM 363 N SER A 24 -3.651 -19.943 -0.672 1.00 0.00 N ATOM 364 CA SER A 24 -4.483 -20.865 -1.426 1.00 0.00 C ATOM 365 C SER A 24 -5.096 -20.150 -2.632 1.00 0.00 C ATOM 366 O SER A 24 -5.147 -18.921 -2.669 1.00 0.00 O ATOM 367 CB SER A 24 -5.584 -21.461 -0.546 1.00 0.00 C ATOM 368 OG SER A 24 -5.054 -22.097 0.614 1.00 0.00 O ATOM 0 H SER A 24 -4.036 -19.004 -0.574 1.00 0.00 H new ATOM 0 HA SER A 24 -3.854 -21.683 -1.777 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.274 -20.673 -0.244 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.159 -22.184 -1.125 1.00 0.00 H new ATOM 0 HG SER A 24 -5.788 -22.463 1.150 1.00 0.00 H new ATOM 374 N LYS A 25 -5.546 -20.949 -3.588 1.00 0.00 N ATOM 375 CA LYS A 25 -6.153 -20.407 -4.792 1.00 0.00 C ATOM 376 C LYS A 25 -7.274 -19.441 -4.402 1.00 0.00 C ATOM 377 O LYS A 25 -7.231 -18.262 -4.752 1.00 0.00 O ATOM 378 CB LYS A 25 -6.610 -21.538 -5.717 1.00 0.00 C ATOM 379 CG LYS A 25 -7.088 -20.986 -7.062 1.00 0.00 C ATOM 380 CD LYS A 25 -7.977 -22.000 -7.785 1.00 0.00 C ATOM 381 CE LYS A 25 -7.625 -22.074 -9.272 1.00 0.00 C ATOM 382 NZ LYS A 25 -8.834 -22.363 -10.077 1.00 0.00 N ATOM 0 H LYS A 25 -5.503 -21.967 -3.553 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.422 -19.834 -5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.788 -22.236 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.416 -22.098 -5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.641 -20.060 -6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.228 -20.741 -7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.858 -22.983 -7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.024 -21.720 -7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.183 -21.131 -9.595 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.877 -22.850 -9.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.615 -23.096 -10.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.595 -22.700 -9.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.143 -21.497 -10.563 1.00 0.00 H new ATOM 396 N GLU A 26 -8.250 -19.976 -3.683 1.00 0.00 N ATOM 397 CA GLU A 26 -9.379 -19.175 -3.242 1.00 0.00 C ATOM 398 C GLU A 26 -8.891 -17.953 -2.462 1.00 0.00 C ATOM 399 O GLU A 26 -9.394 -16.847 -2.655 1.00 0.00 O ATOM 400 CB GLU A 26 -10.349 -20.010 -2.404 1.00 0.00 C ATOM 401 CG GLU A 26 -11.739 -20.041 -3.041 1.00 0.00 C ATOM 402 CD GLU A 26 -12.827 -19.787 -1.996 1.00 0.00 C ATOM 403 OE1 GLU A 26 -12.580 -18.936 -1.115 1.00 0.00 O ATOM 404 OE2 GLU A 26 -13.882 -20.449 -2.103 1.00 0.00 O ATOM 0 H GLU A 26 -8.282 -20.954 -3.395 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.919 -18.827 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.968 -21.026 -2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.415 -19.596 -1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.800 -19.287 -3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.904 -21.008 -3.515 1.00 0.00 H new ATOM 411 N GLU A 27 -7.918 -18.194 -1.596 1.00 0.00 N ATOM 412 CA GLU A 27 -7.357 -17.127 -0.785 1.00 0.00 C ATOM 413 C GLU A 27 -6.755 -16.041 -1.680 1.00 0.00 C ATOM 414 O GLU A 27 -7.148 -14.878 -1.601 1.00 0.00 O ATOM 415 CB GLU A 27 -6.314 -17.672 0.193 1.00 0.00 C ATOM 416 CG GLU A 27 -6.951 -18.006 1.543 1.00 0.00 C ATOM 417 CD GLU A 27 -5.924 -17.906 2.674 1.00 0.00 C ATOM 418 OE1 GLU A 27 -4.764 -18.297 2.423 1.00 0.00 O ATOM 419 OE2 GLU A 27 -6.323 -17.439 3.763 1.00 0.00 O ATOM 0 H GLU A 27 -7.504 -19.113 -1.438 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.160 -16.683 -0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.850 -18.565 -0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.522 -16.937 0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.779 -17.324 1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.368 -19.013 1.513 1.00 0.00 H new ATOM 426 N LEU A 28 -5.811 -16.459 -2.510 1.00 0.00 N ATOM 427 CA LEU A 28 -5.151 -15.537 -3.418 1.00 0.00 C ATOM 428 C LEU A 28 -6.207 -14.766 -4.212 1.00 0.00 C ATOM 429 O LEU A 28 -6.132 -13.544 -4.328 1.00 0.00 O ATOM 430 CB LEU A 28 -4.142 -16.280 -4.297 1.00 0.00 C ATOM 431 CG LEU A 28 -3.015 -15.432 -4.888 1.00 0.00 C ATOM 432 CD1 LEU A 28 -2.869 -14.110 -4.132 1.00 0.00 C ATOM 433 CD2 LEU A 28 -1.702 -16.217 -4.930 1.00 0.00 C ATOM 0 H LEU A 28 -5.487 -17.424 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.572 -14.802 -2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.696 -17.081 -3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.683 -16.752 -5.117 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.276 -15.187 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.061 -13.526 -4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.801 -13.548 -4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.641 -14.313 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.917 -15.591 -5.355 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.423 -16.513 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.830 -17.107 -5.547 1.00 0.00 H new ATOM 445 N LYS A 29 -7.167 -15.513 -4.738 1.00 0.00 N ATOM 446 CA LYS A 29 -8.238 -14.914 -5.518 1.00 0.00 C ATOM 447 C LYS A 29 -8.668 -13.601 -4.862 1.00 0.00 C ATOM 448 O LYS A 29 -8.669 -12.553 -5.505 1.00 0.00 O ATOM 449 CB LYS A 29 -9.383 -15.911 -5.709 1.00 0.00 C ATOM 450 CG LYS A 29 -10.495 -15.310 -6.571 1.00 0.00 C ATOM 451 CD LYS A 29 -11.520 -16.375 -6.965 1.00 0.00 C ATOM 452 CE LYS A 29 -12.141 -16.061 -8.328 1.00 0.00 C ATOM 453 NZ LYS A 29 -13.506 -16.625 -8.417 1.00 0.00 N ATOM 0 H LYS A 29 -7.226 -16.527 -4.640 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.889 -14.669 -6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.005 -16.819 -6.178 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.786 -16.198 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.991 -14.508 -6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.064 -14.865 -7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.040 -17.353 -6.997 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.303 -16.429 -6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.176 -14.982 -8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.518 -16.473 -9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.913 -16.403 -9.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.464 -17.657 -8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.102 -16.212 -7.671 1.00 0.00 H new ATOM 467 N LEU A 30 -9.024 -13.701 -3.589 1.00 0.00 N ATOM 468 CA LEU A 30 -9.455 -12.534 -2.839 1.00 0.00 C ATOM 469 C LEU A 30 -8.394 -11.439 -2.953 1.00 0.00 C ATOM 470 O LEU A 30 -8.689 -10.326 -3.386 1.00 0.00 O ATOM 471 CB LEU A 30 -9.790 -12.919 -1.396 1.00 0.00 C ATOM 472 CG LEU A 30 -10.888 -13.970 -1.219 1.00 0.00 C ATOM 473 CD1 LEU A 30 -11.375 -14.015 0.230 1.00 0.00 C ATOM 474 CD2 LEU A 30 -12.036 -13.734 -2.203 1.00 0.00 C ATOM 0 H LEU A 30 -9.023 -14.572 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.376 -12.130 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.882 -13.288 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.088 -12.018 -0.860 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.465 -14.948 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.155 -14.770 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.542 -14.266 0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.776 -13.041 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.803 -14.494 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.466 -12.747 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.658 -13.792 -3.224 1.00 0.00 H new ATOM 486 N LEU A 31 -7.180 -11.792 -2.556 1.00 0.00 N ATOM 487 CA LEU A 31 -6.073 -10.852 -2.608 1.00 0.00 C ATOM 488 C LEU A 31 -5.999 -10.235 -4.006 1.00 0.00 C ATOM 489 O LEU A 31 -6.166 -9.027 -4.165 1.00 0.00 O ATOM 490 CB LEU A 31 -4.774 -11.529 -2.165 1.00 0.00 C ATOM 491 CG LEU A 31 -3.720 -10.613 -1.539 1.00 0.00 C ATOM 492 CD1 LEU A 31 -3.604 -10.859 -0.034 1.00 0.00 C ATOM 493 CD2 LEU A 31 -2.373 -10.762 -2.249 1.00 0.00 C ATOM 0 H LEU A 31 -6.939 -12.716 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.235 -10.034 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.021 -12.310 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.331 -12.022 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.042 -9.580 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.848 -10.195 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.565 -10.662 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.316 -11.895 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.642 -10.100 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.031 -11.794 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.485 -10.498 -3.301 1.00 0.00 H new ATOM 505 N LEU A 32 -5.747 -11.093 -4.984 1.00 0.00 N ATOM 506 CA LEU A 32 -5.649 -10.647 -6.363 1.00 0.00 C ATOM 507 C LEU A 32 -6.861 -9.778 -6.702 1.00 0.00 C ATOM 508 O LEU A 32 -6.815 -8.979 -7.636 1.00 0.00 O ATOM 509 CB LEU A 32 -5.468 -11.843 -7.301 1.00 0.00 C ATOM 510 CG LEU A 32 -4.240 -12.718 -7.043 1.00 0.00 C ATOM 511 CD1 LEU A 32 -4.239 -13.944 -7.958 1.00 0.00 C ATOM 512 CD2 LEU A 32 -2.950 -11.905 -7.173 1.00 0.00 C ATOM 0 H LEU A 32 -5.608 -12.094 -4.848 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.764 -10.026 -6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.357 -12.470 -7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.417 -11.472 -8.325 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.289 -13.082 -6.017 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.356 -14.549 -7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.135 -14.536 -7.774 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.225 -13.621 -8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.092 -12.551 -6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.880 -11.493 -8.180 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.958 -11.092 -6.447 1.00 0.00 H new ATOM 524 N GLN A 33 -7.918 -9.963 -5.924 1.00 0.00 N ATOM 525 CA GLN A 33 -9.141 -9.206 -6.129 1.00 0.00 C ATOM 526 C GLN A 33 -8.930 -7.742 -5.740 1.00 0.00 C ATOM 527 O GLN A 33 -9.111 -6.844 -6.561 1.00 0.00 O ATOM 528 CB GLN A 33 -10.304 -9.820 -5.348 1.00 0.00 C ATOM 529 CG GLN A 33 -11.570 -9.877 -6.204 1.00 0.00 C ATOM 530 CD GLN A 33 -12.803 -10.157 -5.341 1.00 0.00 C ATOM 531 OE1 GLN A 33 -13.687 -9.331 -5.190 1.00 0.00 O ATOM 532 NE2 GLN A 33 -12.811 -11.366 -4.786 1.00 0.00 N ATOM 0 H GLN A 33 -7.952 -10.627 -5.150 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.397 -9.247 -7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.037 -10.825 -5.021 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.494 -9.232 -4.450 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.699 -8.933 -6.733 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.467 -10.655 -6.961 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.038 -12.009 -4.954 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.591 -11.650 -4.192 1.00 0.00 H new ATOM 541 N THR A 34 -8.550 -7.545 -4.485 1.00 0.00 N ATOM 542 CA THR A 34 -8.313 -6.205 -3.977 1.00 0.00 C ATOM 543 C THR A 34 -6.868 -5.780 -4.246 1.00 0.00 C ATOM 544 O THR A 34 -6.625 -4.707 -4.795 1.00 0.00 O ATOM 545 CB THR A 34 -8.684 -6.190 -2.492 1.00 0.00 C ATOM 546 OG1 THR A 34 -9.953 -5.543 -2.458 1.00 0.00 O ATOM 547 CG2 THR A 34 -7.776 -5.273 -1.671 1.00 0.00 C ATOM 0 H THR A 34 -8.401 -8.291 -3.806 1.00 0.00 H new ATOM 0 HA THR A 34 -8.935 -5.472 -4.490 1.00 0.00 H new ATOM 0 HB THR A 34 -8.631 -7.204 -2.094 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.269 -5.492 -1.532 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.082 -5.299 -0.625 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.744 -5.613 -1.755 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.854 -4.253 -2.046 1.00 0.00 H new ATOM 555 N GLU A 35 -5.947 -6.645 -3.847 1.00 0.00 N ATOM 556 CA GLU A 35 -4.532 -6.373 -4.038 1.00 0.00 C ATOM 557 C GLU A 35 -4.275 -5.878 -5.463 1.00 0.00 C ATOM 558 O GLU A 35 -3.804 -4.759 -5.659 1.00 0.00 O ATOM 559 CB GLU A 35 -3.689 -7.611 -3.726 1.00 0.00 C ATOM 560 CG GLU A 35 -2.214 -7.365 -4.051 1.00 0.00 C ATOM 561 CD GLU A 35 -1.599 -8.575 -4.756 1.00 0.00 C ATOM 562 OE1 GLU A 35 -2.343 -9.224 -5.523 1.00 0.00 O ATOM 563 OE2 GLU A 35 -0.398 -8.824 -4.513 1.00 0.00 O ATOM 0 H GLU A 35 -6.153 -7.535 -3.392 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.235 -5.588 -3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.795 -7.872 -2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.056 -8.460 -4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.120 -6.483 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.665 -7.157 -3.132 1.00 0.00 H new ATOM 570 N PHE A 36 -4.595 -6.736 -6.420 1.00 0.00 N ATOM 571 CA PHE A 36 -4.405 -6.401 -7.821 1.00 0.00 C ATOM 572 C PHE A 36 -5.417 -7.134 -8.703 1.00 0.00 C ATOM 573 O PHE A 36 -5.156 -8.245 -9.161 1.00 0.00 O ATOM 574 CB PHE A 36 -2.993 -6.853 -8.201 1.00 0.00 C ATOM 575 CG PHE A 36 -1.888 -5.905 -7.729 1.00 0.00 C ATOM 576 CD1 PHE A 36 -1.936 -4.587 -8.058 1.00 0.00 C ATOM 577 CD2 PHE A 36 -0.858 -6.382 -6.980 1.00 0.00 C ATOM 578 CE1 PHE A 36 -0.911 -3.708 -7.621 1.00 0.00 C ATOM 579 CE2 PHE A 36 0.168 -5.503 -6.542 1.00 0.00 C ATOM 580 CZ PHE A 36 0.120 -4.184 -6.872 1.00 0.00 C ATOM 0 H PHE A 36 -4.985 -7.664 -6.253 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.544 -5.330 -7.969 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.813 -7.842 -7.780 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.934 -6.953 -9.285 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.755 -4.209 -8.652 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.820 -7.429 -6.718 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.950 -2.661 -7.883 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.986 -5.882 -5.947 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.900 -3.515 -6.539 1.00 0.00 H new ATOM 590 N PRO A 37 -6.581 -6.464 -8.920 1.00 0.00 N ATOM 591 CA PRO A 37 -7.634 -7.040 -9.739 1.00 0.00 C ATOM 592 C PRO A 37 -7.274 -6.968 -11.225 1.00 0.00 C ATOM 593 O PRO A 37 -7.810 -7.722 -12.034 1.00 0.00 O ATOM 594 CB PRO A 37 -8.882 -6.246 -9.391 1.00 0.00 C ATOM 595 CG PRO A 37 -8.392 -4.962 -8.743 1.00 0.00 C ATOM 596 CD PRO A 37 -6.924 -5.147 -8.393 1.00 0.00 C ATOM 0 HA PRO A 37 -7.786 -8.101 -9.543 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.471 -6.033 -10.283 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.524 -6.806 -8.711 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.519 -4.119 -9.422 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.973 -4.740 -7.848 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.308 -4.368 -8.843 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.764 -5.098 -7.316 1.00 0.00 H new ATOM 604 N SER A 38 -6.369 -6.052 -11.538 1.00 0.00 N ATOM 605 CA SER A 38 -5.932 -5.871 -12.911 1.00 0.00 C ATOM 606 C SER A 38 -5.147 -7.099 -13.377 1.00 0.00 C ATOM 607 O SER A 38 -5.179 -7.450 -14.555 1.00 0.00 O ATOM 608 CB SER A 38 -5.079 -4.609 -13.056 1.00 0.00 C ATOM 609 OG SER A 38 -4.082 -4.519 -12.041 1.00 0.00 O ATOM 0 H SER A 38 -5.927 -5.427 -10.864 1.00 0.00 H new ATOM 0 HA SER A 38 -6.816 -5.753 -13.538 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.601 -4.605 -14.035 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.722 -3.730 -13.012 1.00 0.00 H new ATOM 0 HG SER A 38 -3.558 -3.701 -12.169 1.00 0.00 H new ATOM 615 N LEU A 39 -4.460 -7.717 -12.428 1.00 0.00 N ATOM 616 CA LEU A 39 -3.668 -8.898 -12.726 1.00 0.00 C ATOM 617 C LEU A 39 -4.602 -10.059 -13.074 1.00 0.00 C ATOM 618 O LEU A 39 -4.189 -11.020 -13.721 1.00 0.00 O ATOM 619 CB LEU A 39 -2.709 -9.205 -11.574 1.00 0.00 C ATOM 620 CG LEU A 39 -1.217 -9.143 -11.908 1.00 0.00 C ATOM 621 CD1 LEU A 39 -0.734 -10.466 -12.507 1.00 0.00 C ATOM 622 CD2 LEU A 39 -0.908 -7.955 -12.821 1.00 0.00 C ATOM 0 H LEU A 39 -4.435 -7.422 -11.452 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.037 -8.723 -13.598 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.909 -8.503 -10.764 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.935 -10.202 -11.195 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.666 -8.988 -10.980 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.329 -10.395 -12.735 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.899 -11.271 -11.791 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.288 -10.675 -13.422 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.159 -7.934 -13.043 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.470 -8.054 -13.750 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.193 -7.029 -12.322 1.00 0.00 H new ATOM 634 N LEU A 40 -5.843 -9.931 -12.629 1.00 0.00 N ATOM 635 CA LEU A 40 -6.839 -10.958 -12.885 1.00 0.00 C ATOM 636 C LEU A 40 -7.284 -10.876 -14.346 1.00 0.00 C ATOM 637 O LEU A 40 -7.679 -11.882 -14.936 1.00 0.00 O ATOM 638 CB LEU A 40 -7.991 -10.849 -11.884 1.00 0.00 C ATOM 639 CG LEU A 40 -7.640 -11.142 -10.424 1.00 0.00 C ATOM 640 CD1 LEU A 40 -8.751 -10.663 -9.487 1.00 0.00 C ATOM 641 CD2 LEU A 40 -7.320 -12.624 -10.223 1.00 0.00 C ATOM 0 H LEU A 40 -6.182 -9.132 -12.093 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.411 -11.950 -12.736 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.403 -9.842 -11.943 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.780 -11.535 -12.192 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.740 -10.582 -10.170 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.477 -10.883 -8.455 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.888 -9.588 -9.605 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.681 -11.176 -9.733 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.074 -12.804 -9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.186 -13.224 -10.501 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.471 -12.901 -10.848 1.00 0.00 H new ATOM 653 N LYS A 41 -7.207 -9.670 -14.889 1.00 0.00 N ATOM 654 CA LYS A 41 -7.597 -9.444 -16.270 1.00 0.00 C ATOM 655 C LYS A 41 -6.575 -10.103 -17.199 1.00 0.00 C ATOM 656 O LYS A 41 -6.929 -10.591 -18.271 1.00 0.00 O ATOM 657 CB LYS A 41 -7.795 -7.950 -16.534 1.00 0.00 C ATOM 658 CG LYS A 41 -8.985 -7.406 -15.742 1.00 0.00 C ATOM 659 CD LYS A 41 -9.767 -6.380 -16.563 1.00 0.00 C ATOM 660 CE LYS A 41 -11.052 -5.966 -15.844 1.00 0.00 C ATOM 661 NZ LYS A 41 -11.332 -4.529 -16.067 1.00 0.00 N ATOM 0 H LYS A 41 -6.880 -8.839 -14.397 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.561 -9.910 -16.474 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.891 -7.406 -16.259 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.956 -7.784 -17.599 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.643 -8.227 -15.458 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.632 -6.946 -14.819 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.146 -5.502 -16.740 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.011 -6.800 -17.539 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.887 -6.566 -16.206 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.957 -6.163 -14.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.208 -4.265 -15.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.542 -3.960 -15.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.443 -4.351 -17.086 1.00 0.00 H new ATOM 675 N GLY A 42 -5.328 -10.096 -16.753 1.00 0.00 N ATOM 676 CA GLY A 42 -4.252 -10.687 -17.531 1.00 0.00 C ATOM 677 C GLY A 42 -4.686 -12.020 -18.143 1.00 0.00 C ATOM 678 O GLY A 42 -5.721 -12.571 -17.770 1.00 0.00 O ATOM 0 H GLY A 42 -5.038 -9.691 -15.863 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.951 -10.000 -18.322 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.381 -10.842 -16.895 1.00 0.00 H new ATOM 682 N MET A 43 -3.873 -12.500 -19.073 1.00 0.00 N ATOM 683 CA MET A 43 -4.160 -13.758 -19.740 1.00 0.00 C ATOM 684 C MET A 43 -3.918 -14.944 -18.804 1.00 0.00 C ATOM 685 O MET A 43 -4.174 -16.090 -19.169 1.00 0.00 O ATOM 686 CB MET A 43 -3.271 -13.894 -20.978 1.00 0.00 C ATOM 687 CG MET A 43 -3.518 -12.747 -21.959 1.00 0.00 C ATOM 688 SD MET A 43 -2.092 -11.674 -22.015 1.00 0.00 S ATOM 689 CE MET A 43 -2.477 -10.724 -23.476 1.00 0.00 C ATOM 0 H MET A 43 -3.016 -12.040 -19.380 1.00 0.00 H new ATOM 0 HA MET A 43 -5.210 -13.760 -20.033 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.223 -13.902 -20.678 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.469 -14.847 -21.469 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.723 -13.145 -22.953 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.398 -12.180 -21.655 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.683 -10.000 -23.659 1.00 0.00 H new ATOM 0 HE2 MET A 43 -2.562 -11.393 -24.333 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.421 -10.199 -23.330 1.00 0.00 H new ATOM 699 N SER A 44 -3.426 -14.627 -17.615 1.00 0.00 N ATOM 700 CA SER A 44 -3.146 -15.652 -16.624 1.00 0.00 C ATOM 701 C SER A 44 -4.356 -15.836 -15.706 1.00 0.00 C ATOM 702 O SER A 44 -4.545 -15.072 -14.760 1.00 0.00 O ATOM 703 CB SER A 44 -1.905 -15.298 -15.802 1.00 0.00 C ATOM 704 OG SER A 44 -0.723 -15.288 -16.597 1.00 0.00 O ATOM 0 H SER A 44 -3.214 -13.675 -17.316 1.00 0.00 H new ATOM 0 HA SER A 44 -2.948 -16.588 -17.146 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.041 -14.319 -15.343 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.790 -16.017 -14.991 1.00 0.00 H new ATOM 0 HG SER A 44 0.046 -15.056 -16.036 1.00 0.00 H new ATOM 710 N THR A 45 -5.145 -16.854 -16.017 1.00 0.00 N ATOM 711 CA THR A 45 -6.332 -17.149 -15.231 1.00 0.00 C ATOM 712 C THR A 45 -5.942 -17.559 -13.810 1.00 0.00 C ATOM 713 O THR A 45 -4.766 -17.777 -13.523 1.00 0.00 O ATOM 714 CB THR A 45 -7.136 -18.218 -15.973 1.00 0.00 C ATOM 715 OG1 THR A 45 -6.228 -19.308 -16.103 1.00 0.00 O ATOM 716 CG2 THR A 45 -7.448 -17.819 -17.417 1.00 0.00 C ATOM 0 H THR A 45 -4.986 -17.485 -16.802 1.00 0.00 H new ATOM 0 HA THR A 45 -6.962 -16.267 -15.119 1.00 0.00 H new ATOM 0 HB THR A 45 -8.067 -18.407 -15.439 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.669 -20.047 -16.572 1.00 0.00 H new ATOM 0 HG21 THR A 45 -8.020 -18.612 -17.898 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.030 -16.898 -17.422 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.516 -17.662 -17.961 1.00 0.00 H new ATOM 724 N LEU A 46 -6.952 -17.652 -12.957 1.00 0.00 N ATOM 725 CA LEU A 46 -6.730 -18.033 -11.573 1.00 0.00 C ATOM 726 C LEU A 46 -5.897 -19.315 -11.528 1.00 0.00 C ATOM 727 O LEU A 46 -4.763 -19.307 -11.050 1.00 0.00 O ATOM 728 CB LEU A 46 -8.061 -18.138 -10.826 1.00 0.00 C ATOM 729 CG LEU A 46 -8.033 -17.747 -9.347 1.00 0.00 C ATOM 730 CD1 LEU A 46 -7.239 -16.456 -9.135 1.00 0.00 C ATOM 731 CD2 LEU A 46 -9.450 -17.648 -8.779 1.00 0.00 C ATOM 0 H LEU A 46 -7.926 -17.470 -13.198 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.159 -17.263 -11.053 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.791 -17.508 -11.334 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.418 -19.165 -10.903 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.519 -18.535 -8.796 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.235 -16.201 -8.075 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.214 -16.599 -9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.701 -15.647 -9.701 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.401 -17.369 -7.726 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.011 -16.892 -9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.949 -18.612 -8.876 1.00 0.00 H new ATOM 743 N ASP A 47 -6.491 -20.387 -12.032 1.00 0.00 N ATOM 744 CA ASP A 47 -5.818 -21.674 -12.056 1.00 0.00 C ATOM 745 C ASP A 47 -4.379 -21.484 -12.539 1.00 0.00 C ATOM 746 O ASP A 47 -3.437 -21.935 -11.889 1.00 0.00 O ATOM 747 CB ASP A 47 -6.514 -22.642 -13.014 1.00 0.00 C ATOM 748 CG ASP A 47 -6.898 -23.992 -12.404 1.00 0.00 C ATOM 749 OD1 ASP A 47 -5.964 -24.775 -12.126 1.00 0.00 O ATOM 750 OD2 ASP A 47 -8.116 -24.211 -12.229 1.00 0.00 O ATOM 0 H ASP A 47 -7.431 -20.390 -12.427 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.842 -22.085 -11.047 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.415 -22.164 -13.398 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.859 -22.819 -13.867 1.00 0.00 H new ATOM 755 N GLU A 48 -4.254 -20.815 -13.676 1.00 0.00 N ATOM 756 CA GLU A 48 -2.946 -20.559 -14.254 1.00 0.00 C ATOM 757 C GLU A 48 -2.042 -19.862 -13.235 1.00 0.00 C ATOM 758 O GLU A 48 -0.888 -20.248 -13.057 1.00 0.00 O ATOM 759 CB GLU A 48 -3.065 -19.734 -15.537 1.00 0.00 C ATOM 760 CG GLU A 48 -2.698 -20.572 -16.764 1.00 0.00 C ATOM 761 CD GLU A 48 -2.120 -19.693 -17.875 1.00 0.00 C ATOM 762 OE1 GLU A 48 -1.245 -18.864 -17.545 1.00 0.00 O ATOM 763 OE2 GLU A 48 -2.566 -19.871 -19.029 1.00 0.00 O ATOM 0 H GLU A 48 -5.038 -20.442 -14.212 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.494 -21.515 -14.517 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.083 -19.359 -15.639 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.410 -18.865 -15.477 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.972 -21.335 -16.484 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.582 -21.093 -17.131 1.00 0.00 H new ATOM 770 N LEU A 49 -2.602 -18.846 -12.594 1.00 0.00 N ATOM 771 CA LEU A 49 -1.861 -18.091 -11.598 1.00 0.00 C ATOM 772 C LEU A 49 -1.519 -19.006 -10.421 1.00 0.00 C ATOM 773 O LEU A 49 -0.403 -18.967 -9.904 1.00 0.00 O ATOM 774 CB LEU A 49 -2.635 -16.834 -11.194 1.00 0.00 C ATOM 775 CG LEU A 49 -1.827 -15.535 -11.149 1.00 0.00 C ATOM 776 CD1 LEU A 49 -2.484 -14.451 -12.007 1.00 0.00 C ATOM 777 CD2 LEU A 49 -1.612 -15.073 -9.707 1.00 0.00 C ATOM 0 H LEU A 49 -3.559 -18.528 -12.745 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.917 -17.738 -12.013 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.462 -16.700 -11.892 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.072 -17.001 -10.210 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.843 -15.730 -11.574 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.890 -13.538 -11.958 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.542 -14.791 -13.041 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.488 -14.251 -11.634 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.035 -14.148 -9.703 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.578 -14.900 -9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.069 -15.841 -9.156 1.00 0.00 H new ATOM 789 N PHE A 50 -2.498 -19.809 -10.032 1.00 0.00 N ATOM 790 CA PHE A 50 -2.315 -20.733 -8.926 1.00 0.00 C ATOM 791 C PHE A 50 -1.144 -21.681 -9.192 1.00 0.00 C ATOM 792 O PHE A 50 -0.251 -21.821 -8.358 1.00 0.00 O ATOM 793 CB PHE A 50 -3.602 -21.551 -8.808 1.00 0.00 C ATOM 794 CG PHE A 50 -3.630 -22.497 -7.605 1.00 0.00 C ATOM 795 CD1 PHE A 50 -3.494 -22.000 -6.346 1.00 0.00 C ATOM 796 CD2 PHE A 50 -3.792 -23.834 -7.795 1.00 0.00 C ATOM 797 CE1 PHE A 50 -3.521 -22.877 -5.230 1.00 0.00 C ATOM 798 CE2 PHE A 50 -3.818 -24.711 -6.679 1.00 0.00 C ATOM 799 CZ PHE A 50 -3.682 -24.214 -5.420 1.00 0.00 C ATOM 0 H PHE A 50 -3.422 -19.839 -10.464 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.100 -20.180 -8.011 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.449 -20.869 -8.740 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.734 -22.134 -9.719 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.365 -20.938 -6.195 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.901 -24.228 -8.795 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.414 -22.483 -4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.946 -25.773 -6.830 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.702 -24.881 -4.571 1.00 0.00 H new ATOM 809 N GLU A 51 -1.186 -22.309 -10.359 1.00 0.00 N ATOM 810 CA GLU A 51 -0.140 -23.240 -10.745 1.00 0.00 C ATOM 811 C GLU A 51 1.157 -22.487 -11.045 1.00 0.00 C ATOM 812 O GLU A 51 2.248 -22.994 -10.785 1.00 0.00 O ATOM 813 CB GLU A 51 -0.574 -24.084 -11.946 1.00 0.00 C ATOM 814 CG GLU A 51 -0.895 -25.518 -11.521 1.00 0.00 C ATOM 815 CD GLU A 51 -0.475 -26.517 -12.601 1.00 0.00 C ATOM 816 OE1 GLU A 51 0.695 -26.954 -12.546 1.00 0.00 O ATOM 817 OE2 GLU A 51 -1.333 -26.821 -13.458 1.00 0.00 O ATOM 0 H GLU A 51 -1.928 -22.191 -11.049 1.00 0.00 H new ATOM 0 HA GLU A 51 0.041 -23.918 -9.911 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.450 -23.635 -12.413 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.218 -24.092 -12.695 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.381 -25.748 -10.588 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.964 -25.613 -11.328 1.00 0.00 H new ATOM 824 N GLU A 52 0.997 -21.288 -11.586 1.00 0.00 N ATOM 825 CA GLU A 52 2.142 -20.460 -11.923 1.00 0.00 C ATOM 826 C GLU A 52 2.889 -20.045 -10.654 1.00 0.00 C ATOM 827 O GLU A 52 4.093 -20.270 -10.536 1.00 0.00 O ATOM 828 CB GLU A 52 1.713 -19.234 -12.732 1.00 0.00 C ATOM 829 CG GLU A 52 2.929 -18.434 -13.202 1.00 0.00 C ATOM 830 CD GLU A 52 2.557 -16.973 -13.462 1.00 0.00 C ATOM 831 OE1 GLU A 52 2.596 -16.194 -12.485 1.00 0.00 O ATOM 832 OE2 GLU A 52 2.243 -16.667 -14.633 1.00 0.00 O ATOM 0 H GLU A 52 0.091 -20.870 -11.799 1.00 0.00 H new ATOM 0 HA GLU A 52 2.819 -21.046 -12.545 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.126 -19.550 -13.594 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.069 -18.599 -12.123 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.715 -18.484 -12.449 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.331 -18.878 -14.113 1.00 0.00 H new ATOM 839 N LEU A 53 2.144 -19.447 -9.736 1.00 0.00 N ATOM 840 CA LEU A 53 2.721 -18.998 -8.480 1.00 0.00 C ATOM 841 C LEU A 53 3.408 -20.178 -7.790 1.00 0.00 C ATOM 842 O LEU A 53 4.576 -20.088 -7.413 1.00 0.00 O ATOM 843 CB LEU A 53 1.660 -18.314 -7.617 1.00 0.00 C ATOM 844 CG LEU A 53 0.940 -17.125 -8.256 1.00 0.00 C ATOM 845 CD1 LEU A 53 -0.497 -17.014 -7.743 1.00 0.00 C ATOM 846 CD2 LEU A 53 1.726 -15.830 -8.044 1.00 0.00 C ATOM 0 H LEU A 53 1.146 -19.263 -9.837 1.00 0.00 H new ATOM 0 HA LEU A 53 3.486 -18.243 -8.660 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.914 -19.057 -7.337 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.133 -17.974 -6.696 1.00 0.00 H new ATOM 0 HG LEU A 53 0.886 -17.296 -9.331 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.986 -16.161 -8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.042 -17.925 -7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.488 -16.877 -6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.192 -15.000 -8.508 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.834 -15.640 -6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.713 -15.925 -8.497 1.00 0.00 H new ATOM 858 N ASP A 54 2.655 -21.258 -7.644 1.00 0.00 N ATOM 859 CA ASP A 54 3.176 -22.454 -7.005 1.00 0.00 C ATOM 860 C ASP A 54 4.303 -23.035 -7.863 1.00 0.00 C ATOM 861 O ASP A 54 4.046 -23.664 -8.888 1.00 0.00 O ATOM 862 CB ASP A 54 2.090 -23.523 -6.865 1.00 0.00 C ATOM 863 CG ASP A 54 2.524 -24.794 -6.134 1.00 0.00 C ATOM 864 OD1 ASP A 54 2.617 -24.729 -4.889 1.00 0.00 O ATOM 865 OD2 ASP A 54 2.753 -25.803 -6.836 1.00 0.00 O ATOM 0 H ASP A 54 1.687 -21.330 -7.958 1.00 0.00 H new ATOM 0 HA ASP A 54 3.538 -22.177 -6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.241 -23.090 -6.336 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.740 -23.796 -7.860 1.00 0.00 H new ATOM 870 N LYS A 55 5.527 -22.803 -7.411 1.00 0.00 N ATOM 871 CA LYS A 55 6.693 -23.295 -8.124 1.00 0.00 C ATOM 872 C LYS A 55 7.426 -24.315 -7.251 1.00 0.00 C ATOM 873 O LYS A 55 8.494 -24.800 -7.621 1.00 0.00 O ATOM 874 CB LYS A 55 7.574 -22.129 -8.579 1.00 0.00 C ATOM 875 CG LYS A 55 8.085 -22.353 -10.004 1.00 0.00 C ATOM 876 CD LYS A 55 9.591 -22.097 -10.092 1.00 0.00 C ATOM 877 CE LYS A 55 10.383 -23.320 -9.624 1.00 0.00 C ATOM 878 NZ LYS A 55 11.743 -23.312 -10.208 1.00 0.00 N ATOM 0 H LYS A 55 5.736 -22.281 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 55 6.392 -23.812 -9.035 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.006 -21.200 -8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.419 -22.019 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.867 -23.374 -10.316 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.559 -21.691 -10.691 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.863 -21.854 -11.119 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.853 -21.234 -9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.448 -23.324 -8.536 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.861 -24.232 -9.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.267 -24.149 -9.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.675 -23.331 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.244 -22.451 -9.909 1.00 0.00 H new ATOM 892 N ASN A 56 6.823 -24.611 -6.109 1.00 0.00 N ATOM 893 CA ASN A 56 7.405 -25.565 -5.180 1.00 0.00 C ATOM 894 C ASN A 56 6.656 -26.894 -5.285 1.00 0.00 C ATOM 895 O ASN A 56 7.142 -27.923 -4.819 1.00 0.00 O ATOM 896 CB ASN A 56 7.290 -25.069 -3.737 1.00 0.00 C ATOM 897 CG ASN A 56 6.056 -24.183 -3.559 1.00 0.00 C ATOM 898 OD1 ASN A 56 4.916 -24.763 -3.925 1.00 0.00 O flip ATOM 899 ND2 ASN A 56 6.133 -23.048 -3.118 1.00 0.00 N flip ATOM 0 H ASN A 56 5.937 -24.207 -5.806 1.00 0.00 H new ATOM 0 HA ASN A 56 8.457 -25.687 -5.436 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.231 -25.921 -3.059 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.186 -24.509 -3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.041 -22.663 -2.856 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.290 -22.484 -3.011 1.00 0.00 H new ATOM 906 N GLY A 57 5.484 -26.830 -5.900 1.00 0.00 N ATOM 907 CA GLY A 57 4.663 -28.016 -6.072 1.00 0.00 C ATOM 908 C GLY A 57 4.343 -28.661 -4.722 1.00 0.00 C ATOM 909 O GLY A 57 4.881 -29.717 -4.392 1.00 0.00 O ATOM 0 H GLY A 57 5.084 -25.975 -6.285 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.736 -27.751 -6.581 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.182 -28.733 -6.708 1.00 0.00 H new ATOM 913 N ASP A 58 3.468 -28.000 -3.978 1.00 0.00 N ATOM 914 CA ASP A 58 3.070 -28.496 -2.672 1.00 0.00 C ATOM 915 C ASP A 58 1.581 -28.221 -2.459 1.00 0.00 C ATOM 916 O ASP A 58 0.773 -29.148 -2.426 1.00 0.00 O ATOM 917 CB ASP A 58 3.845 -27.793 -1.556 1.00 0.00 C ATOM 918 CG ASP A 58 4.245 -26.347 -1.858 1.00 0.00 C ATOM 919 OD1 ASP A 58 3.327 -25.557 -2.168 1.00 0.00 O ATOM 920 OD2 ASP A 58 5.460 -26.065 -1.773 1.00 0.00 O ATOM 0 H ASP A 58 3.024 -27.125 -4.255 1.00 0.00 H new ATOM 0 HA ASP A 58 3.281 -29.565 -2.639 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.239 -27.805 -0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.747 -28.367 -1.343 1.00 0.00 H new ATOM 925 N GLY A 59 1.261 -26.943 -2.320 1.00 0.00 N ATOM 926 CA GLY A 59 -0.117 -26.534 -2.111 1.00 0.00 C ATOM 927 C GLY A 59 -0.194 -25.310 -1.196 1.00 0.00 C ATOM 928 O GLY A 59 -1.021 -25.261 -0.287 1.00 0.00 O ATOM 0 H GLY A 59 1.933 -26.176 -2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.581 -26.305 -3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.681 -27.357 -1.672 1.00 0.00 H new ATOM 932 N GLU A 60 0.681 -24.353 -1.467 1.00 0.00 N ATOM 933 CA GLU A 60 0.723 -23.133 -0.679 1.00 0.00 C ATOM 934 C GLU A 60 1.566 -22.071 -1.389 1.00 0.00 C ATOM 935 O GLU A 60 2.741 -22.297 -1.675 1.00 0.00 O ATOM 936 CB GLU A 60 1.257 -23.407 0.728 1.00 0.00 C ATOM 937 CG GLU A 60 2.678 -23.973 0.675 1.00 0.00 C ATOM 938 CD GLU A 60 3.180 -24.327 2.076 1.00 0.00 C ATOM 939 OE1 GLU A 60 2.742 -25.380 2.587 1.00 0.00 O ATOM 940 OE2 GLU A 60 3.991 -23.536 2.604 1.00 0.00 O ATOM 0 H GLU A 60 1.366 -24.398 -2.221 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.294 -22.754 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.251 -22.485 1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.600 -24.111 1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.696 -24.861 0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.347 -23.243 0.219 1.00 0.00 H new ATOM 947 N VAL A 61 0.934 -20.937 -1.652 1.00 0.00 N ATOM 948 CA VAL A 61 1.611 -19.841 -2.323 1.00 0.00 C ATOM 949 C VAL A 61 2.184 -18.884 -1.275 1.00 0.00 C ATOM 950 O VAL A 61 1.814 -17.712 -1.231 1.00 0.00 O ATOM 951 CB VAL A 61 0.655 -19.154 -3.300 1.00 0.00 C ATOM 952 CG1 VAL A 61 1.238 -17.830 -3.798 1.00 0.00 C ATOM 953 CG2 VAL A 61 0.311 -20.077 -4.470 1.00 0.00 C ATOM 0 H VAL A 61 -0.040 -20.753 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 61 2.447 -20.214 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.269 -18.933 -2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.539 -17.362 -4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.408 -17.166 -2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.183 -18.017 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.370 -19.565 -5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.223 -20.344 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.166 -20.981 -4.092 1.00 0.00 H new ATOM 963 N SER A 62 3.079 -19.420 -0.457 1.00 0.00 N ATOM 964 CA SER A 62 3.707 -18.628 0.587 1.00 0.00 C ATOM 965 C SER A 62 4.170 -17.285 0.019 1.00 0.00 C ATOM 966 O SER A 62 4.122 -17.070 -1.191 1.00 0.00 O ATOM 967 CB SER A 62 4.887 -19.376 1.211 1.00 0.00 C ATOM 968 OG SER A 62 5.331 -20.453 0.389 1.00 0.00 O ATOM 0 H SER A 62 3.384 -20.393 -0.496 1.00 0.00 H new ATOM 0 HA SER A 62 2.970 -18.449 1.370 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.711 -18.681 1.375 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.596 -19.762 2.188 1.00 0.00 H new ATOM 0 HG SER A 62 6.086 -20.904 0.821 1.00 0.00 H new ATOM 974 N PHE A 63 4.608 -16.418 0.919 1.00 0.00 N ATOM 975 CA PHE A 63 5.080 -15.102 0.522 1.00 0.00 C ATOM 976 C PHE A 63 6.224 -15.211 -0.488 1.00 0.00 C ATOM 977 O PHE A 63 6.554 -14.238 -1.164 1.00 0.00 O ATOM 978 CB PHE A 63 5.595 -14.411 1.787 1.00 0.00 C ATOM 979 CG PHE A 63 5.783 -12.900 1.638 1.00 0.00 C ATOM 980 CD1 PHE A 63 4.774 -12.135 1.142 1.00 0.00 C ATOM 981 CD2 PHE A 63 6.959 -12.322 2.002 1.00 0.00 C ATOM 982 CE1 PHE A 63 4.948 -10.733 1.004 1.00 0.00 C ATOM 983 CE2 PHE A 63 7.133 -10.920 1.864 1.00 0.00 C ATOM 984 CZ PHE A 63 6.124 -10.155 1.368 1.00 0.00 C ATOM 0 H PHE A 63 4.646 -16.600 1.922 1.00 0.00 H new ATOM 0 HA PHE A 63 4.271 -14.542 0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.897 -14.601 2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.547 -14.859 2.071 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.840 -12.594 0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.760 -12.930 2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.147 -10.125 0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 63 8.067 -10.461 2.153 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.257 -9.088 1.263 1.00 0.00 H new ATOM 994 N GLU A 64 6.798 -16.403 -0.557 1.00 0.00 N ATOM 995 CA GLU A 64 7.898 -16.652 -1.473 1.00 0.00 C ATOM 996 C GLU A 64 7.405 -16.606 -2.921 1.00 0.00 C ATOM 997 O GLU A 64 7.890 -15.808 -3.721 1.00 0.00 O ATOM 998 CB GLU A 64 8.575 -17.989 -1.167 1.00 0.00 C ATOM 999 CG GLU A 64 8.447 -18.341 0.317 1.00 0.00 C ATOM 1000 CD GLU A 64 8.618 -17.098 1.192 1.00 0.00 C ATOM 1001 OE1 GLU A 64 9.460 -16.253 0.820 1.00 0.00 O ATOM 1002 OE2 GLU A 64 7.902 -17.020 2.214 1.00 0.00 O ATOM 0 H GLU A 64 6.522 -17.207 0.007 1.00 0.00 H new ATOM 0 HA GLU A 64 8.641 -15.866 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.124 -18.776 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.628 -17.939 -1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.472 -18.791 0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.198 -19.084 0.584 1.00 0.00 H new ATOM 1009 N GLU A 65 6.446 -17.473 -3.213 1.00 0.00 N ATOM 1010 CA GLU A 65 5.882 -17.542 -4.550 1.00 0.00 C ATOM 1011 C GLU A 65 5.258 -16.198 -4.933 1.00 0.00 C ATOM 1012 O GLU A 65 5.199 -15.850 -6.111 1.00 0.00 O ATOM 1013 CB GLU A 65 4.856 -18.672 -4.655 1.00 0.00 C ATOM 1014 CG GLU A 65 5.514 -20.033 -4.416 1.00 0.00 C ATOM 1015 CD GLU A 65 4.674 -20.889 -3.465 1.00 0.00 C ATOM 1016 OE1 GLU A 65 4.552 -20.479 -2.291 1.00 0.00 O ATOM 1017 OE2 GLU A 65 4.173 -21.933 -3.935 1.00 0.00 O ATOM 0 H GLU A 65 6.046 -18.133 -2.546 1.00 0.00 H new ATOM 0 HA GLU A 65 6.687 -17.760 -5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.061 -18.515 -3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.392 -18.656 -5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.638 -20.553 -5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.511 -19.891 -3.999 1.00 0.00 H new ATOM 1024 N PHE A 66 4.807 -15.480 -3.914 1.00 0.00 N ATOM 1025 CA PHE A 66 4.190 -14.182 -4.129 1.00 0.00 C ATOM 1026 C PHE A 66 5.164 -13.217 -4.808 1.00 0.00 C ATOM 1027 O PHE A 66 4.768 -12.434 -5.670 1.00 0.00 O ATOM 1028 CB PHE A 66 3.820 -13.630 -2.751 1.00 0.00 C ATOM 1029 CG PHE A 66 3.051 -12.307 -2.797 1.00 0.00 C ATOM 1030 CD1 PHE A 66 1.759 -12.286 -3.221 1.00 0.00 C ATOM 1031 CD2 PHE A 66 3.661 -11.153 -2.415 1.00 0.00 C ATOM 1032 CE1 PHE A 66 1.046 -11.059 -3.263 1.00 0.00 C ATOM 1033 CE2 PHE A 66 2.948 -9.926 -2.458 1.00 0.00 C ATOM 1034 CZ PHE A 66 1.655 -9.905 -2.881 1.00 0.00 C ATOM 0 H PHE A 66 4.857 -15.773 -2.938 1.00 0.00 H new ATOM 0 HA PHE A 66 3.317 -14.287 -4.773 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.218 -14.370 -2.224 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.732 -13.489 -2.171 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.276 -13.202 -3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.687 -11.170 -2.079 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.020 -11.042 -3.598 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.432 -9.009 -2.155 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.112 -8.972 -2.913 1.00 0.00 H new ATOM 1044 N GLN A 67 6.419 -13.305 -4.393 1.00 0.00 N ATOM 1045 CA GLN A 67 7.453 -12.449 -4.950 1.00 0.00 C ATOM 1046 C GLN A 67 7.578 -12.680 -6.457 1.00 0.00 C ATOM 1047 O GLN A 67 8.161 -11.862 -7.168 1.00 0.00 O ATOM 1048 CB GLN A 67 8.792 -12.679 -4.247 1.00 0.00 C ATOM 1049 CG GLN A 67 8.608 -12.772 -2.731 1.00 0.00 C ATOM 1050 CD GLN A 67 9.915 -12.462 -2.000 1.00 0.00 C ATOM 1051 OE1 GLN A 67 10.544 -13.322 -1.406 1.00 0.00 O ATOM 1052 NE2 GLN A 67 10.287 -11.187 -2.075 1.00 0.00 N ATOM 0 H GLN A 67 6.743 -13.956 -3.678 1.00 0.00 H new ATOM 0 HA GLN A 67 7.167 -11.410 -4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.249 -13.597 -4.618 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.476 -11.864 -4.484 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.834 -12.074 -2.412 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.266 -13.772 -2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.714 -10.518 -2.589 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.145 -10.879 -1.619 1.00 0.00 H new ATOM 1061 N VAL A 68 7.020 -13.797 -6.901 1.00 0.00 N ATOM 1062 CA VAL A 68 7.062 -14.145 -8.311 1.00 0.00 C ATOM 1063 C VAL A 68 6.063 -13.274 -9.077 1.00 0.00 C ATOM 1064 O VAL A 68 6.331 -12.862 -10.204 1.00 0.00 O ATOM 1065 CB VAL A 68 6.807 -15.643 -8.488 1.00 0.00 C ATOM 1066 CG1 VAL A 68 7.004 -16.065 -9.945 1.00 0.00 C ATOM 1067 CG2 VAL A 68 7.698 -16.465 -7.554 1.00 0.00 C ATOM 0 H VAL A 68 6.537 -14.472 -6.309 1.00 0.00 H new ATOM 0 HA VAL A 68 8.051 -13.946 -8.724 1.00 0.00 H new ATOM 0 HB VAL A 68 5.769 -15.840 -8.220 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.817 -17.134 -10.043 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.309 -15.515 -10.580 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.027 -15.846 -10.252 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.497 -17.526 -7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.745 -16.260 -7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.488 -16.195 -6.519 1.00 0.00 H new ATOM 1077 N LEU A 69 4.933 -13.020 -8.433 1.00 0.00 N ATOM 1078 CA LEU A 69 3.894 -12.206 -9.039 1.00 0.00 C ATOM 1079 C LEU A 69 4.308 -10.734 -8.985 1.00 0.00 C ATOM 1080 O LEU A 69 4.039 -9.975 -9.915 1.00 0.00 O ATOM 1081 CB LEU A 69 2.541 -12.488 -8.383 1.00 0.00 C ATOM 1082 CG LEU A 69 1.309 -12.273 -9.265 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.333 -13.206 -10.477 1.00 0.00 C ATOM 1084 CD2 LEU A 69 0.021 -12.421 -8.453 1.00 0.00 C ATOM 0 H LEU A 69 4.715 -13.364 -7.498 1.00 0.00 H new ATOM 0 HA LEU A 69 3.773 -12.465 -10.091 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.537 -13.521 -8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.448 -11.853 -7.502 1.00 0.00 H new ATOM 0 HG LEU A 69 1.335 -11.252 -9.645 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.447 -13.033 -11.087 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.226 -13.009 -11.070 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.344 -14.242 -10.138 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.839 -12.263 -9.103 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.026 -13.422 -8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.010 -11.683 -7.651 1.00 0.00 H new ATOM 1096 N VAL A 70 4.957 -10.375 -7.887 1.00 0.00 N ATOM 1097 CA VAL A 70 5.411 -9.007 -7.700 1.00 0.00 C ATOM 1098 C VAL A 70 6.190 -8.559 -8.938 1.00 0.00 C ATOM 1099 O VAL A 70 6.296 -7.364 -9.210 1.00 0.00 O ATOM 1100 CB VAL A 70 6.226 -8.899 -6.409 1.00 0.00 C ATOM 1101 CG1 VAL A 70 7.191 -7.714 -6.468 1.00 0.00 C ATOM 1102 CG2 VAL A 70 5.308 -8.798 -5.189 1.00 0.00 C ATOM 0 H VAL A 70 5.179 -11.007 -7.118 1.00 0.00 H new ATOM 0 HA VAL A 70 4.561 -8.334 -7.590 1.00 0.00 H new ATOM 0 HB VAL A 70 6.818 -9.809 -6.309 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.758 -7.660 -5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.877 -7.845 -7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.626 -6.791 -6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.912 -8.722 -4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.678 -7.913 -5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.679 -9.687 -5.132 1.00 0.00 H new ATOM 1112 N LYS A 71 6.716 -9.542 -9.654 1.00 0.00 N ATOM 1113 CA LYS A 71 7.483 -9.263 -10.857 1.00 0.00 C ATOM 1114 C LYS A 71 6.541 -8.757 -11.951 1.00 0.00 C ATOM 1115 O LYS A 71 6.860 -7.802 -12.658 1.00 0.00 O ATOM 1116 CB LYS A 71 8.300 -10.490 -11.268 1.00 0.00 C ATOM 1117 CG LYS A 71 9.721 -10.093 -11.671 1.00 0.00 C ATOM 1118 CD LYS A 71 10.253 -11.008 -12.776 1.00 0.00 C ATOM 1119 CE LYS A 71 9.917 -10.449 -14.160 1.00 0.00 C ATOM 1120 NZ LYS A 71 9.349 -11.509 -15.023 1.00 0.00 N ATOM 0 H LYS A 71 6.626 -10.532 -9.425 1.00 0.00 H new ATOM 0 HA LYS A 71 8.210 -8.472 -10.671 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.338 -11.200 -10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.810 -10.995 -12.100 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.730 -9.059 -12.015 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.377 -10.146 -10.802 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.333 -11.115 -12.676 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.822 -12.003 -12.668 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.205 -9.629 -14.065 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.816 -10.039 -14.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.127 -11.113 -15.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.041 -12.279 -15.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.480 -11.881 -14.589 1.00 0.00 H new ATOM 1134 N LYS A 72 5.398 -9.420 -12.057 1.00 0.00 N ATOM 1135 CA LYS A 72 4.408 -9.050 -13.053 1.00 0.00 C ATOM 1136 C LYS A 72 3.784 -7.706 -12.671 1.00 0.00 C ATOM 1137 O LYS A 72 3.623 -6.829 -13.518 1.00 0.00 O ATOM 1138 CB LYS A 72 3.385 -10.173 -13.236 1.00 0.00 C ATOM 1139 CG LYS A 72 4.035 -11.410 -13.858 1.00 0.00 C ATOM 1140 CD LYS A 72 4.398 -11.161 -15.323 1.00 0.00 C ATOM 1141 CE LYS A 72 4.137 -12.406 -16.173 1.00 0.00 C ATOM 1142 NZ LYS A 72 5.381 -12.844 -16.846 1.00 0.00 N ATOM 0 H LYS A 72 5.136 -10.211 -11.469 1.00 0.00 H new ATOM 0 HA LYS A 72 4.879 -8.918 -14.027 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.949 -10.433 -12.272 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.570 -9.827 -13.872 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.932 -11.675 -13.297 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.353 -12.258 -13.788 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.815 -10.325 -15.709 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.448 -10.879 -15.398 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.755 -13.210 -15.544 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.370 -12.191 -16.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.186 -13.690 -17.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.730 -12.082 -17.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.102 -13.068 -16.131 1.00 0.00 H new ATOM 1156 N ILE A 73 3.449 -7.587 -11.394 1.00 0.00 N ATOM 1157 CA ILE A 73 2.846 -6.366 -10.889 1.00 0.00 C ATOM 1158 C ILE A 73 3.918 -5.279 -10.785 1.00 0.00 C ATOM 1159 O ILE A 73 3.610 -4.125 -10.491 1.00 0.00 O ATOM 1160 CB ILE A 73 2.113 -6.634 -9.573 1.00 0.00 C ATOM 1161 CG1 ILE A 73 1.123 -7.791 -9.724 1.00 0.00 C ATOM 1162 CG2 ILE A 73 1.436 -5.364 -9.054 1.00 0.00 C ATOM 1163 CD1 ILE A 73 0.942 -8.533 -8.398 1.00 0.00 C ATOM 0 H ILE A 73 3.584 -8.317 -10.694 1.00 0.00 H new ATOM 0 HA ILE A 73 2.087 -6.002 -11.581 1.00 0.00 H new ATOM 0 HB ILE A 73 2.848 -6.934 -8.827 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.161 -7.409 -10.066 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.480 -8.483 -10.487 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.922 -5.582 -8.118 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.189 -4.594 -8.884 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.714 -5.010 -9.790 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.234 -9.351 -8.532 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.902 -8.934 -8.072 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.562 -7.844 -7.644 1.00 0.00 H new ATOM 1175 N SER A 74 5.154 -5.686 -11.033 1.00 0.00 N ATOM 1176 CA SER A 74 6.273 -4.761 -10.970 1.00 0.00 C ATOM 1177 C SER A 74 6.500 -4.121 -12.342 1.00 0.00 C ATOM 1178 O SER A 74 6.741 -2.919 -12.437 1.00 0.00 O ATOM 1179 CB SER A 74 7.546 -5.466 -10.497 1.00 0.00 C ATOM 1180 OG SER A 74 7.689 -5.415 -9.080 1.00 0.00 O ATOM 0 H SER A 74 5.405 -6.644 -11.278 1.00 0.00 H new ATOM 0 HA SER A 74 6.032 -3.982 -10.247 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.527 -6.506 -10.822 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.413 -5.001 -10.966 1.00 0.00 H new ATOM 0 HG SER A 74 7.316 -6.230 -8.684 1.00 0.00 H new ATOM 1186 N GLN A 75 6.415 -4.954 -13.369 1.00 0.00 N ATOM 1187 CA GLN A 75 6.609 -4.484 -14.730 1.00 0.00 C ATOM 1188 C GLN A 75 5.434 -3.602 -15.159 1.00 0.00 C ATOM 1189 O GLN A 75 5.628 -2.455 -15.557 1.00 0.00 O ATOM 1190 CB GLN A 75 6.793 -5.658 -15.694 1.00 0.00 C ATOM 1191 CG GLN A 75 7.903 -5.367 -16.706 1.00 0.00 C ATOM 1192 CD GLN A 75 8.675 -6.641 -17.055 1.00 0.00 C ATOM 1193 OE1 GLN A 75 8.799 -7.027 -18.206 1.00 0.00 O ATOM 1194 NE2 GLN A 75 9.185 -7.271 -16.000 1.00 0.00 N ATOM 0 H GLN A 75 6.215 -5.951 -13.286 1.00 0.00 H new ATOM 0 HA GLN A 75 7.519 -3.885 -14.761 1.00 0.00 H new ATOM 0 HB2 GLN A 75 7.035 -6.560 -15.132 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.858 -5.852 -16.220 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.472 -4.939 -17.611 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.587 -4.624 -16.297 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.044 -6.893 -15.063 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.717 -8.132 -16.128 1.00 0.00 H new