USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 LYS NZ :NH3+ 177:sc= 1.03 (180deg=0) USER MOD Set 1.2: A 75 GLN : amide:sc= 1.99 K(o=3,f=-5.7!) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.955 K(o=3.4,f=1.4) USER MOD Set 2.2: A 22 GLN : amide:sc= 2.49 K(o=3.4,f=1.4) USER MOD Single : A 1 LYS N :NH3+ -134:sc= 1.18 (180deg=-0.298) USER MOD Single : A 1 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0462) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0668 USER MOD Single : A 7 LYS NZ :NH3+ -118:sc= 0.264 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00573) USER MOD Single : A 13 TYR OH : rot 11:sc= 1.24 USER MOD Single : A 16 LYS NZ :NH3+ -127:sc=-0.00474 (180deg=-0.181) USER MOD Single : A 24 SER OG : rot -87:sc= 0.377 USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= 0.584 (180deg=0.326) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.892 K(o=0.89,f=-0.053) USER MOD Single : A 34 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 173:sc=-0.00305 (180deg=-0.0801) USER MOD Single : A 44 SER OG : rot 180:sc= 0.5 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.17) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.2 K(o=-1.2,f=-1.9) USER MOD Single : A 71 LYS NZ :NH3+ -172:sc= -0.0107 (180deg=-0.0952) USER MOD Single : A 74 SER OG : rot 45:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.866 -4.028 -2.240 1.00 0.00 N ATOM 2 CA LYS A 1 -12.933 -3.682 -3.294 1.00 0.00 C ATOM 3 C LYS A 1 -13.549 -2.629 -4.215 1.00 0.00 C ATOM 4 O LYS A 1 -14.512 -2.880 -4.933 1.00 0.00 O ATOM 5 CB LYS A 1 -12.525 -4.947 -4.048 1.00 0.00 C ATOM 6 CG LYS A 1 -11.573 -4.695 -5.225 1.00 0.00 C ATOM 7 CD LYS A 1 -11.059 -6.040 -5.755 1.00 0.00 C ATOM 8 CE LYS A 1 -10.258 -5.862 -7.050 1.00 0.00 C ATOM 9 NZ LYS A 1 -9.595 -7.119 -7.439 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.369 -4.040 -1.326 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.631 -3.324 -2.209 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.268 -4.969 -2.427 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.030 -3.245 -2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -12.048 -5.635 -3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.423 -5.441 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -12.090 -4.152 -6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -10.737 -4.073 -4.905 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.432 -6.515 -5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.902 -6.708 -5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.922 -5.534 -7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.511 -5.080 -6.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.892 -6.926 -8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -9.120 -7.532 -6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.304 -7.788 -7.801 1.00 0.00 H new ATOM 25 N SER A 2 -12.965 -1.439 -4.183 1.00 0.00 N ATOM 26 CA SER A 2 -13.343 -0.275 -4.971 1.00 0.00 C ATOM 27 C SER A 2 -12.260 0.778 -4.730 1.00 0.00 C ATOM 28 O SER A 2 -11.549 0.676 -3.725 1.00 0.00 O ATOM 29 CB SER A 2 -14.750 0.229 -4.585 1.00 0.00 C ATOM 30 OG SER A 2 -14.710 1.446 -3.854 1.00 0.00 O ATOM 0 H SER A 2 -12.170 -1.250 -3.572 1.00 0.00 H new ATOM 0 HA SER A 2 -13.406 -0.516 -6.032 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.342 0.371 -5.489 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.255 -0.532 -3.990 1.00 0.00 H new ATOM 0 HG SER A 2 -15.623 1.726 -3.634 1.00 0.00 H new ATOM 36 N PRO A 3 -12.117 1.784 -5.605 1.00 0.00 N ATOM 37 CA PRO A 3 -11.135 2.836 -5.413 1.00 0.00 C ATOM 38 C PRO A 3 -11.385 3.535 -4.076 1.00 0.00 C ATOM 39 O PRO A 3 -10.442 3.793 -3.337 1.00 0.00 O ATOM 40 CB PRO A 3 -11.274 3.772 -6.617 1.00 0.00 C ATOM 41 CG PRO A 3 -12.684 3.496 -7.142 1.00 0.00 C ATOM 42 CD PRO A 3 -12.899 2.020 -6.807 1.00 0.00 C ATOM 0 HA PRO A 3 -10.114 2.459 -5.364 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.154 4.816 -6.327 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.518 3.563 -7.374 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.426 4.131 -6.657 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.758 3.681 -8.214 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.954 1.804 -6.639 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.569 1.379 -7.624 1.00 0.00 H new ATOM 50 N GLU A 4 -12.648 3.825 -3.749 1.00 0.00 N ATOM 51 CA GLU A 4 -13.019 4.478 -2.502 1.00 0.00 C ATOM 52 C GLU A 4 -12.582 3.623 -1.309 1.00 0.00 C ATOM 53 O GLU A 4 -11.968 4.118 -0.366 1.00 0.00 O ATOM 54 CB GLU A 4 -14.532 4.737 -2.495 1.00 0.00 C ATOM 55 CG GLU A 4 -14.969 5.560 -1.277 1.00 0.00 C ATOM 56 CD GLU A 4 -16.471 5.826 -1.304 1.00 0.00 C ATOM 57 OE1 GLU A 4 -17.220 4.838 -1.145 1.00 0.00 O ATOM 58 OE2 GLU A 4 -16.839 7.004 -1.494 1.00 0.00 O ATOM 0 H GLU A 4 -13.443 3.609 -4.350 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.509 5.438 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.814 5.262 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.063 3.785 -2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.707 5.028 -0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.429 6.507 -1.261 1.00 0.00 H new ATOM 65 N GLU A 5 -12.888 2.325 -1.343 1.00 0.00 N ATOM 66 CA GLU A 5 -12.506 1.437 -0.250 1.00 0.00 C ATOM 67 C GLU A 5 -10.989 1.397 -0.120 1.00 0.00 C ATOM 68 O GLU A 5 -10.445 1.453 0.978 1.00 0.00 O ATOM 69 CB GLU A 5 -13.041 0.019 -0.475 1.00 0.00 C ATOM 70 CG GLU A 5 -14.556 0.052 -0.651 1.00 0.00 C ATOM 71 CD GLU A 5 -15.160 -1.347 -0.653 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.259 -1.924 0.449 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.504 -1.816 -1.760 1.00 0.00 O ATOM 0 H GLU A 5 -13.392 1.872 -2.105 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.943 1.826 0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.574 -0.418 -1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.779 -0.615 0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.002 0.638 0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.802 0.555 -1.587 1.00 0.00 H new ATOM 80 N LEU A 6 -10.305 1.304 -1.257 1.00 0.00 N ATOM 81 CA LEU A 6 -8.853 1.205 -1.285 1.00 0.00 C ATOM 82 C LEU A 6 -8.237 2.509 -0.780 1.00 0.00 C ATOM 83 O LEU A 6 -7.217 2.494 -0.097 1.00 0.00 O ATOM 84 CB LEU A 6 -8.375 0.758 -2.673 1.00 0.00 C ATOM 85 CG LEU A 6 -8.769 -0.713 -2.932 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.730 -1.031 -4.428 1.00 0.00 C ATOM 87 CD2 LEU A 6 -7.851 -1.699 -2.198 1.00 0.00 C ATOM 0 H LEU A 6 -10.741 1.295 -2.179 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.505 0.430 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.813 1.398 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.293 0.869 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.783 -0.830 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.011 -2.072 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.429 -0.382 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.722 -0.865 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.168 -2.720 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.824 -1.560 -2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.907 -1.519 -1.125 1.00 0.00 H new ATOM 99 N LYS A 7 -8.868 3.640 -1.085 1.00 0.00 N ATOM 100 CA LYS A 7 -8.470 4.947 -0.598 1.00 0.00 C ATOM 101 C LYS A 7 -8.612 4.956 0.924 1.00 0.00 C ATOM 102 O LYS A 7 -7.697 5.366 1.637 1.00 0.00 O ATOM 103 CB LYS A 7 -9.360 5.998 -1.272 1.00 0.00 C ATOM 104 CG LYS A 7 -8.993 7.456 -0.957 1.00 0.00 C ATOM 105 CD LYS A 7 -7.600 7.852 -1.457 1.00 0.00 C ATOM 106 CE LYS A 7 -7.346 9.344 -1.224 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.009 9.734 -1.706 1.00 0.00 N ATOM 0 H LYS A 7 -9.688 3.668 -1.691 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.432 5.177 -0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.315 5.853 -2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.393 5.825 -0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.734 8.116 -1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.042 7.611 0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.842 7.264 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.511 7.624 -2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.107 9.931 -1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.433 9.570 -0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.440 10.081 -0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.540 8.910 -2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.102 10.487 -2.418 1.00 0.00 H new ATOM 121 N GLY A 8 -9.761 4.483 1.416 1.00 0.00 N ATOM 122 CA GLY A 8 -10.047 4.400 2.837 1.00 0.00 C ATOM 123 C GLY A 8 -8.971 3.569 3.527 1.00 0.00 C ATOM 124 O GLY A 8 -8.381 4.005 4.508 1.00 0.00 O ATOM 0 H GLY A 8 -10.522 4.145 0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.082 5.400 3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.027 3.949 2.995 1.00 0.00 H new ATOM 128 N ILE A 9 -8.708 2.375 3.002 1.00 0.00 N ATOM 129 CA ILE A 9 -7.705 1.444 3.499 1.00 0.00 C ATOM 130 C ILE A 9 -6.326 2.112 3.511 1.00 0.00 C ATOM 131 O ILE A 9 -5.657 2.142 4.543 1.00 0.00 O ATOM 132 CB ILE A 9 -7.750 0.181 2.623 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.066 -0.592 2.843 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.527 -0.719 2.810 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.026 -1.567 4.023 1.00 0.00 C ATOM 0 H ILE A 9 -9.208 2.018 2.188 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.912 1.154 4.529 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.719 0.514 1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.873 0.123 3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.306 -1.146 1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.617 -1.593 2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.625 -0.166 2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.467 -1.039 3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.988 -2.071 4.111 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.243 -2.307 3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.818 -1.018 4.942 1.00 0.00 H new ATOM 147 N PHE A 10 -5.897 2.651 2.367 1.00 0.00 N ATOM 148 CA PHE A 10 -4.623 3.346 2.233 1.00 0.00 C ATOM 149 C PHE A 10 -4.494 4.379 3.353 1.00 0.00 C ATOM 150 O PHE A 10 -3.513 4.374 4.089 1.00 0.00 O ATOM 151 CB PHE A 10 -4.547 4.032 0.862 1.00 0.00 C ATOM 152 CG PHE A 10 -3.371 4.976 0.703 1.00 0.00 C ATOM 153 CD1 PHE A 10 -2.096 4.468 0.395 1.00 0.00 C ATOM 154 CD2 PHE A 10 -3.479 6.279 1.225 1.00 0.00 C ATOM 155 CE1 PHE A 10 -0.956 5.205 0.758 1.00 0.00 C ATOM 156 CE2 PHE A 10 -2.363 6.860 1.843 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.091 6.336 1.583 1.00 0.00 C ATOM 0 H PHE A 10 -6.434 2.614 1.500 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.804 2.631 2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.491 3.267 0.088 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.470 4.588 0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.994 3.522 -0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.409 6.823 1.150 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.019 4.904 0.405 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.483 7.700 2.511 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.216 6.799 2.015 1.00 0.00 H new ATOM 167 N GLU A 11 -5.490 5.262 3.478 1.00 0.00 N ATOM 168 CA GLU A 11 -5.498 6.312 4.483 1.00 0.00 C ATOM 169 C GLU A 11 -5.426 5.707 5.887 1.00 0.00 C ATOM 170 O GLU A 11 -4.615 6.128 6.708 1.00 0.00 O ATOM 171 CB GLU A 11 -6.743 7.186 4.285 1.00 0.00 C ATOM 172 CG GLU A 11 -6.697 8.449 5.152 1.00 0.00 C ATOM 173 CD GLU A 11 -7.902 9.342 4.877 1.00 0.00 C ATOM 174 OE1 GLU A 11 -7.902 9.978 3.801 1.00 0.00 O ATOM 175 OE2 GLU A 11 -8.807 9.361 5.739 1.00 0.00 O ATOM 0 H GLU A 11 -6.315 5.262 2.878 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.619 6.947 4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.825 7.469 3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.635 6.609 4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.678 8.171 6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.778 9.000 4.951 1.00 0.00 H new ATOM 182 N LYS A 12 -6.277 4.716 6.159 1.00 0.00 N ATOM 183 CA LYS A 12 -6.355 4.027 7.436 1.00 0.00 C ATOM 184 C LYS A 12 -4.965 3.566 7.861 1.00 0.00 C ATOM 185 O LYS A 12 -4.522 3.902 8.955 1.00 0.00 O ATOM 186 CB LYS A 12 -7.333 2.844 7.348 1.00 0.00 C ATOM 187 CG LYS A 12 -7.605 2.195 8.712 1.00 0.00 C ATOM 188 CD LYS A 12 -8.238 0.802 8.565 1.00 0.00 C ATOM 189 CE LYS A 12 -9.515 0.785 7.715 1.00 0.00 C ATOM 190 NZ LYS A 12 -10.545 1.695 8.247 1.00 0.00 N ATOM 0 H LYS A 12 -6.947 4.365 5.474 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.734 4.715 8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.275 3.188 6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.929 2.094 6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.671 2.113 9.268 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.268 2.836 9.294 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.507 0.127 8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.468 0.412 9.556 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.273 1.071 6.691 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.912 -0.229 7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.409 1.615 7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.759 1.439 9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.195 2.674 8.212 1.00 0.00 H new ATOM 204 N TYR A 13 -4.266 2.804 7.015 1.00 0.00 N ATOM 205 CA TYR A 13 -2.945 2.330 7.389 1.00 0.00 C ATOM 206 C TYR A 13 -1.935 3.465 7.378 1.00 0.00 C ATOM 207 O TYR A 13 -1.120 3.518 8.290 1.00 0.00 O ATOM 208 CB TYR A 13 -2.517 1.110 6.583 1.00 0.00 C ATOM 209 CG TYR A 13 -3.218 -0.141 7.071 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.513 -0.419 6.603 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.620 -0.988 8.026 1.00 0.00 C ATOM 212 CE1 TYR A 13 -5.200 -1.548 7.060 1.00 0.00 C ATOM 213 CE2 TYR A 13 -3.357 -2.061 8.560 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.641 -2.352 8.065 1.00 0.00 C ATOM 215 OH TYR A 13 -5.333 -3.424 8.542 1.00 0.00 O ATOM 0 H TYR A 13 -4.588 2.512 6.092 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.992 1.976 8.419 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.743 1.269 5.529 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.438 0.979 6.661 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.980 0.242 5.888 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.603 -0.815 8.346 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.162 -1.801 6.639 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.936 -2.663 9.352 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.106 -3.597 7.966 1.00 0.00 H new ATOM 225 N ALA A 14 -1.964 4.386 6.408 1.00 0.00 N ATOM 226 CA ALA A 14 -1.034 5.510 6.451 1.00 0.00 C ATOM 227 C ALA A 14 -1.131 6.219 7.813 1.00 0.00 C ATOM 228 O ALA A 14 -0.133 6.640 8.392 1.00 0.00 O ATOM 229 CB ALA A 14 -1.339 6.459 5.295 1.00 0.00 C ATOM 0 H ALA A 14 -2.600 4.375 5.611 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.010 5.154 6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.647 7.301 5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.227 5.928 4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.361 6.827 5.386 1.00 0.00 H new ATOM 235 N ALA A 15 -2.351 6.329 8.345 1.00 0.00 N ATOM 236 CA ALA A 15 -2.631 6.960 9.623 1.00 0.00 C ATOM 237 C ALA A 15 -2.201 6.137 10.840 1.00 0.00 C ATOM 238 O ALA A 15 -2.434 6.595 11.956 1.00 0.00 O ATOM 239 CB ALA A 15 -4.120 7.320 9.691 1.00 0.00 C ATOM 0 H ALA A 15 -3.187 5.971 7.882 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.022 7.863 9.673 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.336 7.794 10.648 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.365 8.008 8.882 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.718 6.414 9.591 1.00 0.00 H new ATOM 245 N LYS A 16 -1.585 4.955 10.691 1.00 0.00 N ATOM 246 CA LYS A 16 -1.148 4.202 11.856 1.00 0.00 C ATOM 247 C LYS A 16 -0.098 5.023 12.609 1.00 0.00 C ATOM 248 O LYS A 16 -0.273 5.291 13.794 1.00 0.00 O ATOM 249 CB LYS A 16 -0.624 2.807 11.505 1.00 0.00 C ATOM 250 CG LYS A 16 -1.329 1.716 12.317 1.00 0.00 C ATOM 251 CD LYS A 16 -2.615 1.233 11.639 1.00 0.00 C ATOM 252 CE LYS A 16 -3.753 2.246 11.512 1.00 0.00 C ATOM 253 NZ LYS A 16 -4.299 2.639 12.824 1.00 0.00 N ATOM 0 H LYS A 16 -1.385 4.515 9.793 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.014 4.032 12.496 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.770 2.620 10.441 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.449 2.764 11.692 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.653 0.872 12.453 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.565 2.099 13.310 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.360 0.882 10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.988 0.372 12.193 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.391 3.132 10.991 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.550 1.820 10.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.330 2.503 12.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.871 2.052 13.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.081 3.640 13.005 1.00 0.00 H new ATOM 267 N GLU A 17 0.993 5.417 11.933 1.00 0.00 N ATOM 268 CA GLU A 17 2.021 6.223 12.578 1.00 0.00 C ATOM 269 C GLU A 17 2.837 7.064 11.591 1.00 0.00 C ATOM 270 O GLU A 17 2.916 8.285 11.723 1.00 0.00 O ATOM 271 CB GLU A 17 2.935 5.304 13.408 1.00 0.00 C ATOM 272 CG GLU A 17 3.941 6.097 14.253 1.00 0.00 C ATOM 273 CD GLU A 17 4.802 5.167 15.100 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.848 4.728 14.573 1.00 0.00 O ATOM 275 OE2 GLU A 17 4.395 4.905 16.252 1.00 0.00 O ATOM 0 H GLU A 17 1.177 5.191 10.956 1.00 0.00 H new ATOM 0 HA GLU A 17 1.520 6.939 13.230 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.324 4.682 14.062 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.474 4.632 12.741 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.578 6.693 13.600 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.408 6.793 14.900 1.00 0.00 H new ATOM 282 N GLY A 18 3.481 6.425 10.617 1.00 0.00 N ATOM 283 CA GLY A 18 4.398 7.103 9.713 1.00 0.00 C ATOM 284 C GLY A 18 3.752 7.950 8.615 1.00 0.00 C ATOM 285 O GLY A 18 3.902 7.625 7.438 1.00 0.00 O ATOM 0 H GLY A 18 3.380 5.426 10.435 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.051 7.746 10.304 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.032 6.353 9.240 1.00 0.00 H new ATOM 289 N ASP A 19 3.094 9.040 9.033 1.00 0.00 N ATOM 290 CA ASP A 19 2.448 10.089 8.237 1.00 0.00 C ATOM 291 C ASP A 19 1.103 9.664 7.620 1.00 0.00 C ATOM 292 O ASP A 19 1.092 8.806 6.747 1.00 0.00 O ATOM 293 CB ASP A 19 3.409 10.630 7.167 1.00 0.00 C ATOM 294 CG ASP A 19 2.916 11.922 6.514 1.00 0.00 C ATOM 295 OD1 ASP A 19 1.698 12.017 6.244 1.00 0.00 O ATOM 296 OD2 ASP A 19 3.781 12.795 6.279 1.00 0.00 O ATOM 0 H ASP A 19 2.992 9.225 10.031 1.00 0.00 H new ATOM 0 HA ASP A 19 2.207 10.892 8.933 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.384 10.808 7.620 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.549 9.872 6.397 1.00 0.00 H new ATOM 301 N PRO A 20 -0.037 10.265 8.015 1.00 0.00 N ATOM 302 CA PRO A 20 -1.351 9.899 7.495 1.00 0.00 C ATOM 303 C PRO A 20 -1.509 9.989 5.975 1.00 0.00 C ATOM 304 O PRO A 20 -2.428 9.382 5.433 1.00 0.00 O ATOM 305 CB PRO A 20 -2.370 10.765 8.243 1.00 0.00 C ATOM 306 CG PRO A 20 -1.546 11.953 8.730 1.00 0.00 C ATOM 307 CD PRO A 20 -0.170 11.341 8.987 1.00 0.00 C ATOM 0 HA PRO A 20 -1.511 8.836 7.676 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.182 11.082 7.589 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.822 10.224 9.074 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.501 12.745 7.983 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.967 12.391 9.635 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.619 12.083 8.862 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.093 10.962 10.006 1.00 0.00 H new ATOM 315 N ASN A 21 -0.646 10.724 5.271 1.00 0.00 N ATOM 316 CA ASN A 21 -0.717 10.840 3.824 1.00 0.00 C ATOM 317 C ASN A 21 0.181 9.801 3.133 1.00 0.00 C ATOM 318 O ASN A 21 0.052 9.600 1.926 1.00 0.00 O ATOM 319 CB ASN A 21 -0.371 12.283 3.447 1.00 0.00 C ATOM 320 CG ASN A 21 -0.286 12.473 1.940 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.288 12.609 1.252 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.920 12.491 1.401 1.00 0.00 N ATOM 0 H ASN A 21 0.118 11.252 5.692 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.725 10.621 3.472 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.126 12.955 3.855 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.581 12.558 3.901 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.027 12.620 0.395 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.744 12.376 1.991 1.00 0.00 H new ATOM 329 N GLN A 22 1.080 9.123 3.863 1.00 0.00 N ATOM 330 CA GLN A 22 1.993 8.147 3.279 1.00 0.00 C ATOM 331 C GLN A 22 1.984 6.781 3.970 1.00 0.00 C ATOM 332 O GLN A 22 1.876 6.667 5.182 1.00 0.00 O ATOM 333 CB GLN A 22 3.437 8.653 3.327 1.00 0.00 C ATOM 334 CG GLN A 22 3.821 9.848 2.454 1.00 0.00 C ATOM 335 CD GLN A 22 3.849 11.104 3.299 1.00 0.00 C ATOM 336 OE1 GLN A 22 2.972 11.952 3.213 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.857 11.252 4.141 1.00 0.00 N ATOM 0 H GLN A 22 1.189 9.240 4.870 1.00 0.00 H new ATOM 0 HA GLN A 22 1.633 8.023 2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.663 8.912 4.361 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.089 7.822 3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.798 9.681 2.000 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.106 9.961 1.639 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.581 10.536 4.201 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.911 12.082 4.731 1.00 0.00 H new ATOM 346 N LEU A 23 2.155 5.724 3.179 1.00 0.00 N ATOM 347 CA LEU A 23 2.293 4.370 3.677 1.00 0.00 C ATOM 348 C LEU A 23 3.782 4.110 3.836 1.00 0.00 C ATOM 349 O LEU A 23 4.474 3.770 2.881 1.00 0.00 O ATOM 350 CB LEU A 23 1.723 3.360 2.692 1.00 0.00 C ATOM 351 CG LEU A 23 0.253 3.022 2.929 1.00 0.00 C ATOM 352 CD1 LEU A 23 -0.208 2.113 1.784 1.00 0.00 C ATOM 353 CD2 LEU A 23 0.012 2.280 4.249 1.00 0.00 C ATOM 0 H LEU A 23 2.201 5.792 2.162 1.00 0.00 H new ATOM 0 HA LEU A 23 1.752 4.265 4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.837 3.750 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.309 2.443 2.748 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.300 3.960 2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.257 1.853 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.088 2.635 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.393 1.204 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.052 2.069 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.570 1.344 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.346 2.900 5.081 1.00 0.00 H new ATOM 365 N SER A 24 4.294 4.257 5.044 1.00 0.00 N ATOM 366 CA SER A 24 5.692 4.018 5.337 1.00 0.00 C ATOM 367 C SER A 24 5.981 2.543 5.054 1.00 0.00 C ATOM 368 O SER A 24 5.068 1.728 5.121 1.00 0.00 O ATOM 369 CB SER A 24 5.960 4.431 6.792 1.00 0.00 C ATOM 370 OG SER A 24 4.772 4.930 7.393 1.00 0.00 O ATOM 0 H SER A 24 3.746 4.548 5.854 1.00 0.00 H new ATOM 0 HA SER A 24 6.363 4.609 4.713 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.329 3.575 7.357 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.738 5.193 6.823 1.00 0.00 H new ATOM 0 HG SER A 24 4.688 5.888 7.205 1.00 0.00 H new ATOM 376 N LYS A 25 7.223 2.173 4.740 1.00 0.00 N ATOM 377 CA LYS A 25 7.579 0.779 4.471 1.00 0.00 C ATOM 378 C LYS A 25 7.007 -0.139 5.559 1.00 0.00 C ATOM 379 O LYS A 25 6.226 -1.054 5.294 1.00 0.00 O ATOM 380 CB LYS A 25 9.103 0.689 4.285 1.00 0.00 C ATOM 381 CG LYS A 25 9.681 -0.686 4.634 1.00 0.00 C ATOM 382 CD LYS A 25 11.056 -0.929 4.009 1.00 0.00 C ATOM 383 CE LYS A 25 12.069 0.188 4.275 1.00 0.00 C ATOM 384 NZ LYS A 25 13.396 -0.167 3.742 1.00 0.00 N ATOM 0 H LYS A 25 8.004 2.824 4.665 1.00 0.00 H new ATOM 0 HA LYS A 25 7.129 0.424 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.349 0.926 3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.582 1.444 4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.758 -0.778 5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.992 -1.461 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.457 -1.867 4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.938 -1.049 2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.724 1.114 3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.141 0.372 5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.933 0.701 3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.910 -0.739 4.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.283 -0.714 2.864 1.00 0.00 H new ATOM 398 N GLU A 26 7.390 0.143 6.799 1.00 0.00 N ATOM 399 CA GLU A 26 6.892 -0.554 7.978 1.00 0.00 C ATOM 400 C GLU A 26 5.352 -0.543 8.043 1.00 0.00 C ATOM 401 O GLU A 26 4.750 -1.467 8.579 1.00 0.00 O ATOM 402 CB GLU A 26 7.516 0.084 9.228 1.00 0.00 C ATOM 403 CG GLU A 26 7.201 -0.707 10.505 1.00 0.00 C ATOM 404 CD GLU A 26 7.922 -0.114 11.711 1.00 0.00 C ATOM 405 OE1 GLU A 26 7.532 1.005 12.107 1.00 0.00 O ATOM 406 OE2 GLU A 26 8.858 -0.782 12.201 1.00 0.00 O ATOM 0 H GLU A 26 8.067 0.875 7.016 1.00 0.00 H new ATOM 0 HA GLU A 26 7.184 -1.603 7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.597 0.147 9.100 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.147 1.104 9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.126 -0.703 10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.499 -1.747 10.375 1.00 0.00 H new ATOM 413 N GLU A 27 4.698 0.485 7.499 1.00 0.00 N ATOM 414 CA GLU A 27 3.249 0.613 7.505 1.00 0.00 C ATOM 415 C GLU A 27 2.635 -0.312 6.444 1.00 0.00 C ATOM 416 O GLU A 27 1.634 -0.984 6.693 1.00 0.00 O ATOM 417 CB GLU A 27 2.885 2.092 7.285 1.00 0.00 C ATOM 418 CG GLU A 27 1.591 2.508 7.970 1.00 0.00 C ATOM 419 CD GLU A 27 1.881 2.895 9.416 1.00 0.00 C ATOM 420 OE1 GLU A 27 2.142 1.965 10.210 1.00 0.00 O ATOM 421 OE2 GLU A 27 1.900 4.113 9.696 1.00 0.00 O ATOM 0 H GLU A 27 5.172 1.261 7.036 1.00 0.00 H new ATOM 0 HA GLU A 27 2.837 0.303 8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.699 2.717 7.653 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.797 2.281 6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.141 3.348 7.441 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.872 1.690 7.939 1.00 0.00 H new ATOM 428 N LEU A 28 3.240 -0.364 5.251 1.00 0.00 N ATOM 429 CA LEU A 28 2.780 -1.228 4.175 1.00 0.00 C ATOM 430 C LEU A 28 2.777 -2.679 4.660 1.00 0.00 C ATOM 431 O LEU A 28 1.852 -3.432 4.362 1.00 0.00 O ATOM 432 CB LEU A 28 3.694 -1.059 2.952 1.00 0.00 C ATOM 433 CG LEU A 28 3.201 -1.841 1.722 1.00 0.00 C ATOM 434 CD1 LEU A 28 1.932 -1.222 1.125 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.301 -1.879 0.658 1.00 0.00 C ATOM 0 H LEU A 28 4.060 0.193 5.012 1.00 0.00 H new ATOM 0 HA LEU A 28 1.766 -0.955 3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.763 -0.001 2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.700 -1.391 3.208 1.00 0.00 H new ATOM 0 HG LEU A 28 2.960 -2.853 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.616 -1.803 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.139 -1.225 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.137 -0.196 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.948 -2.434 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.555 -0.862 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.185 -2.369 1.066 1.00 0.00 H new ATOM 447 N LYS A 29 3.814 -3.062 5.412 1.00 0.00 N ATOM 448 CA LYS A 29 3.955 -4.397 5.970 1.00 0.00 C ATOM 449 C LYS A 29 2.646 -4.813 6.643 1.00 0.00 C ATOM 450 O LYS A 29 1.966 -5.711 6.144 1.00 0.00 O ATOM 451 CB LYS A 29 5.170 -4.429 6.911 1.00 0.00 C ATOM 452 CG LYS A 29 5.226 -5.616 7.882 1.00 0.00 C ATOM 453 CD LYS A 29 5.139 -6.983 7.197 1.00 0.00 C ATOM 454 CE LYS A 29 6.349 -7.326 6.326 1.00 0.00 C ATOM 455 NZ LYS A 29 6.211 -8.667 5.731 1.00 0.00 N ATOM 0 H LYS A 29 4.586 -2.439 5.649 1.00 0.00 H new ATOM 0 HA LYS A 29 4.145 -5.130 5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.076 -4.435 6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.181 -3.507 7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.154 -5.564 8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.409 -5.526 8.597 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.025 -7.753 7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.241 -7.011 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.454 -6.583 5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.257 -7.283 6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.045 -8.874 5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.134 -9.376 6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.356 -8.698 5.139 1.00 0.00 H new ATOM 469 N LEU A 30 2.289 -4.177 7.764 1.00 0.00 N ATOM 470 CA LEU A 30 1.053 -4.491 8.469 1.00 0.00 C ATOM 471 C LEU A 30 -0.146 -4.494 7.521 1.00 0.00 C ATOM 472 O LEU A 30 -0.935 -5.434 7.547 1.00 0.00 O ATOM 473 CB LEU A 30 0.771 -3.581 9.682 1.00 0.00 C ATOM 474 CG LEU A 30 1.651 -2.344 9.912 1.00 0.00 C ATOM 475 CD1 LEU A 30 0.880 -1.321 10.755 1.00 0.00 C ATOM 476 CD2 LEU A 30 2.926 -2.724 10.669 1.00 0.00 C ATOM 0 H LEU A 30 2.844 -3.440 8.199 1.00 0.00 H new ATOM 0 HA LEU A 30 1.202 -5.495 8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.261 -3.239 9.603 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.834 -4.199 10.577 1.00 0.00 H new ATOM 0 HG LEU A 30 1.915 -1.924 8.941 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.503 -0.442 10.920 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.029 -1.028 10.230 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.618 -1.765 11.715 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.537 -1.834 10.823 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.661 -3.154 11.635 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.489 -3.455 10.089 1.00 0.00 H new ATOM 488 N LEU A 31 -0.290 -3.458 6.693 1.00 0.00 N ATOM 489 CA LEU A 31 -1.404 -3.334 5.761 1.00 0.00 C ATOM 490 C LEU A 31 -1.630 -4.615 4.962 1.00 0.00 C ATOM 491 O LEU A 31 -2.701 -5.228 5.007 1.00 0.00 O ATOM 492 CB LEU A 31 -1.129 -2.169 4.793 1.00 0.00 C ATOM 493 CG LEU A 31 -2.351 -1.584 4.061 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.899 -0.915 2.763 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.471 -2.560 3.721 1.00 0.00 C ATOM 0 H LEU A 31 0.368 -2.679 6.652 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.306 -3.144 6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.649 -1.366 5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.413 -2.508 4.045 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.777 -0.883 4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.765 -0.501 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.196 -0.114 2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.413 -1.652 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.273 -2.029 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.084 -3.346 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.858 -3.004 4.638 1.00 0.00 H new ATOM 507 N LEU A 32 -0.606 -5.005 4.204 1.00 0.00 N ATOM 508 CA LEU A 32 -0.737 -6.117 3.287 1.00 0.00 C ATOM 509 C LEU A 32 -0.932 -7.419 4.038 1.00 0.00 C ATOM 510 O LEU A 32 -1.733 -8.261 3.646 1.00 0.00 O ATOM 511 CB LEU A 32 0.450 -6.188 2.322 1.00 0.00 C ATOM 512 CG LEU A 32 0.646 -4.908 1.501 1.00 0.00 C ATOM 513 CD1 LEU A 32 1.849 -5.107 0.573 1.00 0.00 C ATOM 514 CD2 LEU A 32 -0.581 -4.539 0.658 1.00 0.00 C ATOM 0 H LEU A 32 0.314 -4.566 4.212 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.629 -5.951 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.358 -6.389 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.306 -7.028 1.642 1.00 0.00 H new ATOM 0 HG LEU A 32 0.807 -4.089 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.004 -4.206 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.739 -5.307 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.660 -5.950 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.378 -3.624 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.800 -5.348 -0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.438 -4.383 1.313 1.00 0.00 H new ATOM 526 N GLN A 33 -0.202 -7.576 5.133 1.00 0.00 N ATOM 527 CA GLN A 33 -0.263 -8.769 5.939 1.00 0.00 C ATOM 528 C GLN A 33 -1.658 -8.944 6.537 1.00 0.00 C ATOM 529 O GLN A 33 -2.205 -10.042 6.532 1.00 0.00 O ATOM 530 CB GLN A 33 0.798 -8.606 7.024 1.00 0.00 C ATOM 531 CG GLN A 33 2.170 -9.192 6.665 1.00 0.00 C ATOM 532 CD GLN A 33 2.589 -9.113 5.195 1.00 0.00 C ATOM 533 OE1 GLN A 33 2.825 -10.125 4.554 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.712 -7.929 4.620 1.00 0.00 N ATOM 0 H GLN A 33 0.449 -6.872 5.482 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.071 -9.664 5.347 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.916 -7.545 7.242 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.441 -9.082 7.938 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.925 -8.680 7.262 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.182 -10.240 6.966 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.516 -7.081 5.152 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.003 -7.864 3.645 1.00 0.00 H new ATOM 543 N THR A 34 -2.228 -7.861 7.063 1.00 0.00 N ATOM 544 CA THR A 34 -3.523 -7.894 7.716 1.00 0.00 C ATOM 545 C THR A 34 -4.677 -8.089 6.733 1.00 0.00 C ATOM 546 O THR A 34 -5.523 -8.944 6.976 1.00 0.00 O ATOM 547 CB THR A 34 -3.713 -6.633 8.576 1.00 0.00 C ATOM 548 OG1 THR A 34 -2.600 -6.472 9.432 1.00 0.00 O ATOM 549 CG2 THR A 34 -4.957 -6.729 9.465 1.00 0.00 C ATOM 0 H THR A 34 -1.798 -6.936 7.045 1.00 0.00 H new ATOM 0 HA THR A 34 -3.540 -8.767 8.368 1.00 0.00 H new ATOM 0 HB THR A 34 -3.821 -5.792 7.891 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.851 -6.093 8.927 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.053 -5.818 10.055 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.842 -6.852 8.841 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.862 -7.585 10.132 1.00 0.00 H new ATOM 557 N GLU A 35 -4.749 -7.296 5.653 1.00 0.00 N ATOM 558 CA GLU A 35 -5.900 -7.346 4.746 1.00 0.00 C ATOM 559 C GLU A 35 -5.636 -7.862 3.330 1.00 0.00 C ATOM 560 O GLU A 35 -6.586 -7.973 2.561 1.00 0.00 O ATOM 561 CB GLU A 35 -6.605 -5.982 4.760 1.00 0.00 C ATOM 562 CG GLU A 35 -7.061 -5.664 6.196 1.00 0.00 C ATOM 563 CD GLU A 35 -7.971 -4.446 6.290 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.914 -4.365 5.474 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.715 -3.625 7.200 1.00 0.00 O ATOM 0 H GLU A 35 -4.031 -6.620 5.390 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.559 -8.120 5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.930 -5.206 4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.463 -5.995 4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.583 -6.530 6.603 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.182 -5.500 6.820 1.00 0.00 H new ATOM 572 N PHE A 36 -4.395 -8.197 2.964 1.00 0.00 N ATOM 573 CA PHE A 36 -4.077 -8.720 1.636 1.00 0.00 C ATOM 574 C PHE A 36 -3.170 -9.965 1.686 1.00 0.00 C ATOM 575 O PHE A 36 -2.312 -10.094 0.813 1.00 0.00 O ATOM 576 CB PHE A 36 -3.425 -7.598 0.805 1.00 0.00 C ATOM 577 CG PHE A 36 -4.296 -6.376 0.576 1.00 0.00 C ATOM 578 CD1 PHE A 36 -4.447 -5.414 1.592 1.00 0.00 C ATOM 579 CD2 PHE A 36 -5.007 -6.229 -0.630 1.00 0.00 C ATOM 580 CE1 PHE A 36 -5.329 -4.337 1.416 1.00 0.00 C ATOM 581 CE2 PHE A 36 -5.862 -5.131 -0.817 1.00 0.00 C ATOM 582 CZ PHE A 36 -6.008 -4.171 0.200 1.00 0.00 C ATOM 0 H PHE A 36 -3.586 -8.113 3.580 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.006 -9.045 1.167 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.509 -7.283 1.304 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.136 -8.006 -0.164 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.883 -5.505 2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.894 -6.963 -1.414 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.486 -3.633 2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.408 -5.024 -1.743 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.640 -3.309 0.045 1.00 0.00 H new ATOM 592 N PRO A 37 -3.323 -10.896 2.649 1.00 0.00 N ATOM 593 CA PRO A 37 -2.451 -12.060 2.760 1.00 0.00 C ATOM 594 C PRO A 37 -2.533 -12.965 1.530 1.00 0.00 C ATOM 595 O PRO A 37 -1.511 -13.369 0.987 1.00 0.00 O ATOM 596 CB PRO A 37 -2.866 -12.779 4.048 1.00 0.00 C ATOM 597 CG PRO A 37 -4.313 -12.337 4.267 1.00 0.00 C ATOM 598 CD PRO A 37 -4.315 -10.913 3.713 1.00 0.00 C ATOM 0 HA PRO A 37 -1.404 -11.761 2.805 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.791 -13.861 3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.230 -12.495 4.887 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.017 -12.979 3.738 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.589 -12.362 5.321 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.300 -10.644 3.332 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.066 -10.191 4.491 1.00 0.00 H new ATOM 606 N SER A 38 -3.741 -13.299 1.072 1.00 0.00 N ATOM 607 CA SER A 38 -3.888 -14.145 -0.107 1.00 0.00 C ATOM 608 C SER A 38 -3.628 -13.339 -1.380 1.00 0.00 C ATOM 609 O SER A 38 -3.168 -13.882 -2.379 1.00 0.00 O ATOM 610 CB SER A 38 -5.277 -14.796 -0.135 1.00 0.00 C ATOM 611 OG SER A 38 -5.329 -15.798 -1.132 1.00 0.00 O ATOM 0 H SER A 38 -4.619 -13.000 1.495 1.00 0.00 H new ATOM 0 HA SER A 38 -3.147 -14.943 -0.057 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.502 -15.230 0.839 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.037 -14.039 -0.330 1.00 0.00 H new ATOM 0 HG SER A 38 -6.220 -16.207 -1.139 1.00 0.00 H new ATOM 617 N LEU A 39 -3.945 -12.045 -1.356 1.00 0.00 N ATOM 618 CA LEU A 39 -3.796 -11.139 -2.462 1.00 0.00 C ATOM 619 C LEU A 39 -2.320 -10.933 -2.817 1.00 0.00 C ATOM 620 O LEU A 39 -2.002 -10.803 -3.996 1.00 0.00 O ATOM 621 CB LEU A 39 -4.486 -9.851 -2.023 1.00 0.00 C ATOM 622 CG LEU A 39 -6.024 -9.889 -2.035 1.00 0.00 C ATOM 623 CD1 LEU A 39 -6.559 -9.619 -3.445 1.00 0.00 C ATOM 624 CD2 LEU A 39 -6.691 -11.148 -1.465 1.00 0.00 C ATOM 0 H LEU A 39 -4.327 -11.594 -0.525 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.247 -11.525 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.153 -9.606 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.154 -9.041 -2.673 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.301 -9.095 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.648 -9.650 -3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.228 -8.635 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.182 -10.379 -4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.774 -11.048 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.371 -12.020 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.402 -11.272 -0.421 1.00 0.00 H new ATOM 636 N LEU A 40 -1.398 -10.915 -1.843 1.00 0.00 N ATOM 637 CA LEU A 40 0.035 -10.724 -2.115 1.00 0.00 C ATOM 638 C LEU A 40 0.718 -11.967 -2.720 1.00 0.00 C ATOM 639 O LEU A 40 1.851 -12.283 -2.375 1.00 0.00 O ATOM 640 CB LEU A 40 0.762 -10.142 -0.882 1.00 0.00 C ATOM 641 CG LEU A 40 0.724 -10.951 0.433 1.00 0.00 C ATOM 642 CD1 LEU A 40 1.706 -12.127 0.502 1.00 0.00 C ATOM 643 CD2 LEU A 40 1.008 -10.016 1.614 1.00 0.00 C ATOM 0 H LEU A 40 -1.621 -11.031 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 40 0.116 -9.977 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.808 -9.992 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.340 -9.157 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.276 -11.383 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.603 -12.631 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.489 -12.830 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.725 -11.757 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.982 -10.585 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.993 -9.565 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.252 -9.232 1.647 1.00 0.00 H new ATOM 655 N LYS A 41 0.042 -12.658 -3.645 1.00 0.00 N ATOM 656 CA LYS A 41 0.460 -13.887 -4.319 1.00 0.00 C ATOM 657 C LYS A 41 1.956 -13.958 -4.646 1.00 0.00 C ATOM 658 O LYS A 41 2.579 -14.997 -4.452 1.00 0.00 O ATOM 659 CB LYS A 41 -0.370 -14.092 -5.596 1.00 0.00 C ATOM 660 CG LYS A 41 -1.870 -14.251 -5.308 1.00 0.00 C ATOM 661 CD LYS A 41 -2.694 -14.500 -6.582 1.00 0.00 C ATOM 662 CE LYS A 41 -2.335 -15.796 -7.323 1.00 0.00 C ATOM 663 NZ LYS A 41 -2.413 -16.977 -6.446 1.00 0.00 N ATOM 0 H LYS A 41 -0.877 -12.349 -3.963 1.00 0.00 H new ATOM 0 HA LYS A 41 0.277 -14.692 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.220 -13.242 -6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.009 -14.976 -6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.017 -15.081 -4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.238 -13.353 -4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.751 -14.527 -6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.557 -13.658 -7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.010 -15.928 -8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.327 -15.713 -7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.280 -17.839 -7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.670 -16.920 -5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.345 -17.006 -5.985 1.00 0.00 H new ATOM 677 N GLY A 42 2.534 -12.864 -5.147 1.00 0.00 N ATOM 678 CA GLY A 42 3.948 -12.799 -5.497 1.00 0.00 C ATOM 679 C GLY A 42 4.865 -13.191 -4.333 1.00 0.00 C ATOM 680 O GLY A 42 5.935 -13.756 -4.543 1.00 0.00 O ATOM 0 H GLY A 42 2.028 -11.995 -5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.139 -13.459 -6.343 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.192 -11.787 -5.821 1.00 0.00 H new ATOM 684 N GLY A 43 4.470 -12.873 -3.098 1.00 0.00 N ATOM 685 CA GLY A 43 5.230 -13.176 -1.898 1.00 0.00 C ATOM 686 C GLY A 43 6.267 -12.078 -1.779 1.00 0.00 C ATOM 687 O GLY A 43 6.168 -11.209 -0.915 1.00 0.00 O ATOM 0 H GLY A 43 3.593 -12.388 -2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.583 -13.200 -1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.704 -14.155 -1.972 1.00 0.00 H new ATOM 691 N SER A 44 7.233 -12.099 -2.698 1.00 0.00 N ATOM 692 CA SER A 44 8.257 -11.079 -2.803 1.00 0.00 C ATOM 693 C SER A 44 9.003 -10.889 -1.475 1.00 0.00 C ATOM 694 O SER A 44 9.097 -11.801 -0.658 1.00 0.00 O ATOM 695 CB SER A 44 7.555 -9.799 -3.291 1.00 0.00 C ATOM 696 OG SER A 44 8.503 -8.819 -3.678 1.00 0.00 O ATOM 0 H SER A 44 7.320 -12.838 -3.396 1.00 0.00 H new ATOM 0 HA SER A 44 9.032 -11.367 -3.514 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.905 -10.035 -4.134 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.919 -9.403 -2.499 1.00 0.00 H new ATOM 0 HG SER A 44 8.035 -8.015 -3.986 1.00 0.00 H new ATOM 702 N THR A 45 9.533 -9.685 -1.271 1.00 0.00 N ATOM 703 CA THR A 45 10.227 -9.255 -0.071 1.00 0.00 C ATOM 704 C THR A 45 9.745 -7.834 0.206 1.00 0.00 C ATOM 705 O THR A 45 9.573 -7.055 -0.730 1.00 0.00 O ATOM 706 CB THR A 45 11.751 -9.364 -0.223 1.00 0.00 C ATOM 707 OG1 THR A 45 12.157 -8.941 -1.503 1.00 0.00 O ATOM 708 CG2 THR A 45 12.231 -10.802 -0.018 1.00 0.00 C ATOM 0 H THR A 45 9.485 -8.950 -1.977 1.00 0.00 H new ATOM 0 HA THR A 45 10.000 -9.899 0.779 1.00 0.00 H new ATOM 0 HB THR A 45 12.192 -8.722 0.540 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.131 -9.017 -1.579 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.314 -10.844 -0.132 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.959 -11.137 0.983 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.763 -11.451 -0.758 1.00 0.00 H new ATOM 716 N LEU A 46 9.506 -7.503 1.480 1.00 0.00 N ATOM 717 CA LEU A 46 8.983 -6.212 1.904 1.00 0.00 C ATOM 718 C LEU A 46 9.697 -5.059 1.217 1.00 0.00 C ATOM 719 O LEU A 46 9.056 -4.239 0.575 1.00 0.00 O ATOM 720 CB LEU A 46 9.092 -6.066 3.432 1.00 0.00 C ATOM 721 CG LEU A 46 8.739 -4.654 3.944 1.00 0.00 C ATOM 722 CD1 LEU A 46 7.304 -4.245 3.581 1.00 0.00 C ATOM 723 CD2 LEU A 46 8.949 -4.585 5.460 1.00 0.00 C ATOM 0 H LEU A 46 9.676 -8.143 2.256 1.00 0.00 H new ATOM 0 HA LEU A 46 7.933 -6.173 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.431 -6.791 3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.108 -6.312 3.741 1.00 0.00 H new ATOM 0 HG LEU A 46 9.405 -3.947 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.103 -3.244 3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.187 -4.250 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.601 -4.950 4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.698 -3.586 5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.307 -5.317 5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.991 -4.803 5.693 1.00 0.00 H new ATOM 735 N ASP A 47 11.018 -4.992 1.372 1.00 0.00 N ATOM 736 CA ASP A 47 11.828 -3.911 0.859 1.00 0.00 C ATOM 737 C ASP A 47 11.672 -3.800 -0.646 1.00 0.00 C ATOM 738 O ASP A 47 11.319 -2.740 -1.126 1.00 0.00 O ATOM 739 CB ASP A 47 13.287 -4.068 1.295 1.00 0.00 C ATOM 740 CG ASP A 47 14.113 -2.827 0.963 1.00 0.00 C ATOM 741 OD1 ASP A 47 13.590 -1.713 1.187 1.00 0.00 O ATOM 742 OD2 ASP A 47 15.268 -3.017 0.525 1.00 0.00 O ATOM 0 H ASP A 47 11.556 -5.704 1.867 1.00 0.00 H new ATOM 0 HA ASP A 47 11.478 -2.971 1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.328 -4.256 2.368 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.722 -4.937 0.802 1.00 0.00 H new ATOM 747 N GLU A 48 11.904 -4.881 -1.389 1.00 0.00 N ATOM 748 CA GLU A 48 11.766 -4.883 -2.839 1.00 0.00 C ATOM 749 C GLU A 48 10.372 -4.403 -3.256 1.00 0.00 C ATOM 750 O GLU A 48 10.226 -3.521 -4.101 1.00 0.00 O ATOM 751 CB GLU A 48 12.029 -6.303 -3.359 1.00 0.00 C ATOM 752 CG GLU A 48 13.478 -6.758 -3.120 1.00 0.00 C ATOM 753 CD GLU A 48 14.507 -5.870 -3.814 1.00 0.00 C ATOM 754 OE1 GLU A 48 14.312 -5.609 -5.021 1.00 0.00 O ATOM 755 OE2 GLU A 48 15.475 -5.478 -3.127 1.00 0.00 O ATOM 0 H GLU A 48 12.193 -5.779 -1.000 1.00 0.00 H new ATOM 0 HA GLU A 48 12.492 -4.195 -3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.348 -6.998 -2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.811 -6.342 -4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.678 -6.766 -2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.594 -7.783 -3.474 1.00 0.00 H new ATOM 762 N LEU A 49 9.338 -4.990 -2.656 1.00 0.00 N ATOM 763 CA LEU A 49 7.952 -4.668 -2.945 1.00 0.00 C ATOM 764 C LEU A 49 7.676 -3.188 -2.692 1.00 0.00 C ATOM 765 O LEU A 49 7.293 -2.450 -3.600 1.00 0.00 O ATOM 766 CB LEU A 49 7.057 -5.601 -2.115 1.00 0.00 C ATOM 767 CG LEU A 49 5.569 -5.247 -2.174 1.00 0.00 C ATOM 768 CD1 LEU A 49 5.024 -5.290 -3.607 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.784 -6.235 -1.307 1.00 0.00 C ATOM 0 H LEU A 49 9.447 -5.713 -1.945 1.00 0.00 H new ATOM 0 HA LEU A 49 7.729 -4.832 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.191 -6.624 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.386 -5.575 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 49 5.452 -4.229 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.965 -5.032 -3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.568 -4.576 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.151 -6.293 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.723 -5.989 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.935 -7.247 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.135 -6.173 -0.277 1.00 0.00 H new ATOM 781 N PHE A 50 7.881 -2.747 -1.455 1.00 0.00 N ATOM 782 CA PHE A 50 7.707 -1.372 -1.047 1.00 0.00 C ATOM 783 C PHE A 50 8.563 -0.472 -1.934 1.00 0.00 C ATOM 784 O PHE A 50 8.124 0.614 -2.275 1.00 0.00 O ATOM 785 CB PHE A 50 8.120 -1.252 0.423 1.00 0.00 C ATOM 786 CG PHE A 50 8.591 0.123 0.805 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.671 1.137 1.107 1.00 0.00 C ATOM 788 CD2 PHE A 50 9.960 0.420 0.679 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.137 2.435 1.367 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.419 1.729 0.891 1.00 0.00 C ATOM 791 CZ PHE A 50 9.508 2.730 1.263 1.00 0.00 C ATOM 0 H PHE A 50 8.180 -3.358 -0.695 1.00 0.00 H new ATOM 0 HA PHE A 50 6.667 -1.062 -1.152 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.274 -1.525 1.053 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.915 -1.969 0.628 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.613 0.921 1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.659 -0.361 0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.440 3.210 1.648 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.466 1.965 0.769 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.861 3.729 1.470 1.00 0.00 H new ATOM 801 N GLU A 51 9.769 -0.900 -2.311 1.00 0.00 N ATOM 802 CA GLU A 51 10.628 -0.075 -3.158 1.00 0.00 C ATOM 803 C GLU A 51 9.997 0.110 -4.531 1.00 0.00 C ATOM 804 O GLU A 51 9.982 1.226 -5.041 1.00 0.00 O ATOM 805 CB GLU A 51 12.047 -0.646 -3.279 1.00 0.00 C ATOM 806 CG GLU A 51 12.913 -0.298 -2.060 1.00 0.00 C ATOM 807 CD GLU A 51 14.248 -1.035 -2.091 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.214 -2.275 -2.242 1.00 0.00 O ATOM 809 OE2 GLU A 51 15.281 -0.342 -1.964 1.00 0.00 O ATOM 0 H GLU A 51 10.168 -1.801 -2.047 1.00 0.00 H new ATOM 0 HA GLU A 51 10.721 0.899 -2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.994 -1.729 -3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.519 -0.257 -4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.091 0.777 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.376 -0.554 -1.147 1.00 0.00 H new ATOM 816 N GLU A 52 9.461 -0.959 -5.128 1.00 0.00 N ATOM 817 CA GLU A 52 8.797 -0.848 -6.420 1.00 0.00 C ATOM 818 C GLU A 52 7.652 0.148 -6.254 1.00 0.00 C ATOM 819 O GLU A 52 7.444 1.045 -7.065 1.00 0.00 O ATOM 820 CB GLU A 52 8.276 -2.230 -6.849 1.00 0.00 C ATOM 821 CG GLU A 52 7.209 -2.166 -7.957 1.00 0.00 C ATOM 822 CD GLU A 52 7.704 -1.503 -9.240 1.00 0.00 C ATOM 823 OE1 GLU A 52 8.894 -1.701 -9.566 1.00 0.00 O ATOM 824 OE2 GLU A 52 6.873 -0.827 -9.884 1.00 0.00 O ATOM 0 H GLU A 52 9.476 -1.901 -4.737 1.00 0.00 H new ATOM 0 HA GLU A 52 9.481 -0.500 -7.194 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.114 -2.834 -7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.857 -2.737 -5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.873 -3.177 -8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.343 -1.619 -7.585 1.00 0.00 H new ATOM 831 N LEU A 53 6.905 -0.050 -5.173 1.00 0.00 N ATOM 832 CA LEU A 53 5.761 0.759 -4.827 1.00 0.00 C ATOM 833 C LEU A 53 6.118 2.220 -4.543 1.00 0.00 C ATOM 834 O LEU A 53 5.353 3.101 -4.922 1.00 0.00 O ATOM 835 CB LEU A 53 5.045 0.083 -3.651 1.00 0.00 C ATOM 836 CG LEU A 53 4.011 -0.909 -4.196 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.717 -1.962 -3.132 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.724 -0.187 -4.611 1.00 0.00 C ATOM 0 H LEU A 53 7.089 -0.797 -4.503 1.00 0.00 H new ATOM 0 HA LEU A 53 5.089 0.815 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.766 -0.435 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.556 0.832 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 53 4.417 -1.394 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.982 -2.670 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.636 -2.492 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.323 -1.477 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.007 -0.913 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.298 0.323 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.951 0.543 -5.388 1.00 0.00 H new ATOM 850 N ASP A 54 7.244 2.519 -3.891 1.00 0.00 N ATOM 851 CA ASP A 54 7.633 3.888 -3.579 1.00 0.00 C ATOM 852 C ASP A 54 8.234 4.506 -4.840 1.00 0.00 C ATOM 853 O ASP A 54 9.428 4.777 -4.899 1.00 0.00 O ATOM 854 CB ASP A 54 8.578 3.944 -2.359 1.00 0.00 C ATOM 855 CG ASP A 54 8.898 5.386 -1.936 1.00 0.00 C ATOM 856 OD1 ASP A 54 8.404 6.313 -2.613 1.00 0.00 O ATOM 857 OD2 ASP A 54 9.662 5.559 -0.956 1.00 0.00 O ATOM 0 H ASP A 54 7.908 1.816 -3.567 1.00 0.00 H new ATOM 0 HA ASP A 54 6.763 4.475 -3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.120 3.415 -1.523 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.505 3.423 -2.596 1.00 0.00 H new ATOM 862 N LYS A 55 7.383 4.731 -5.842 1.00 0.00 N ATOM 863 CA LYS A 55 7.706 5.318 -7.134 1.00 0.00 C ATOM 864 C LYS A 55 8.555 6.585 -6.977 1.00 0.00 C ATOM 865 O LYS A 55 9.471 6.826 -7.757 1.00 0.00 O ATOM 866 CB LYS A 55 6.379 5.598 -7.853 1.00 0.00 C ATOM 867 CG LYS A 55 6.541 6.107 -9.288 1.00 0.00 C ATOM 868 CD LYS A 55 5.184 6.162 -10.006 1.00 0.00 C ATOM 869 CE LYS A 55 4.201 7.141 -9.346 1.00 0.00 C ATOM 870 NZ LYS A 55 2.949 7.251 -10.115 1.00 0.00 N ATOM 0 H LYS A 55 6.394 4.493 -5.764 1.00 0.00 H new ATOM 0 HA LYS A 55 8.311 4.631 -7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.786 4.683 -7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.815 6.334 -7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.992 7.099 -9.278 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.221 5.454 -9.835 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.339 6.455 -11.044 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.744 5.165 -10.018 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.978 6.807 -8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.665 8.124 -9.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.308 7.920 -9.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.160 7.593 -11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.494 6.318 -10.173 1.00 0.00 H new ATOM 884 N ASN A 56 8.247 7.396 -5.964 1.00 0.00 N ATOM 885 CA ASN A 56 8.964 8.627 -5.665 1.00 0.00 C ATOM 886 C ASN A 56 10.343 8.312 -5.081 1.00 0.00 C ATOM 887 O ASN A 56 11.287 9.046 -5.358 1.00 0.00 O ATOM 888 CB ASN A 56 8.098 9.466 -4.711 1.00 0.00 C ATOM 889 CG ASN A 56 8.664 10.806 -4.233 1.00 0.00 C ATOM 890 OD1 ASN A 56 8.051 11.490 -3.428 1.00 0.00 O ATOM 891 ND2 ASN A 56 9.821 11.234 -4.700 1.00 0.00 N ATOM 0 H ASN A 56 7.479 7.209 -5.320 1.00 0.00 H new ATOM 0 HA ASN A 56 9.140 9.204 -6.573 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.146 9.660 -5.205 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.883 8.859 -3.831 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.197 12.130 -4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.340 10.669 -5.373 1.00 0.00 H new ATOM 898 N GLY A 57 10.471 7.244 -4.291 1.00 0.00 N ATOM 899 CA GLY A 57 11.720 6.859 -3.651 1.00 0.00 C ATOM 900 C GLY A 57 12.063 7.920 -2.614 1.00 0.00 C ATOM 901 O GLY A 57 13.012 8.675 -2.793 1.00 0.00 O ATOM 0 H GLY A 57 9.696 6.616 -4.078 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.621 5.882 -3.178 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.517 6.776 -4.390 1.00 0.00 H new ATOM 905 N ASP A 58 11.274 7.983 -1.535 1.00 0.00 N ATOM 906 CA ASP A 58 11.433 9.010 -0.506 1.00 0.00 C ATOM 907 C ASP A 58 11.530 8.437 0.903 1.00 0.00 C ATOM 908 O ASP A 58 12.177 9.035 1.757 1.00 0.00 O ATOM 909 CB ASP A 58 10.281 10.023 -0.595 1.00 0.00 C ATOM 910 CG ASP A 58 8.913 9.396 -0.333 1.00 0.00 C ATOM 911 OD1 ASP A 58 8.603 9.170 0.859 1.00 0.00 O ATOM 912 OD2 ASP A 58 8.213 9.139 -1.332 1.00 0.00 O ATOM 0 H ASP A 58 10.514 7.328 -1.354 1.00 0.00 H new ATOM 0 HA ASP A 58 12.382 9.510 -0.701 1.00 0.00 H new ATOM 0 HB2 ASP A 58 10.452 10.823 0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.282 10.480 -1.585 1.00 0.00 H new ATOM 917 N GLY A 59 10.887 7.298 1.157 1.00 0.00 N ATOM 918 CA GLY A 59 10.863 6.698 2.481 1.00 0.00 C ATOM 919 C GLY A 59 9.497 6.076 2.729 1.00 0.00 C ATOM 920 O GLY A 59 9.401 5.086 3.455 1.00 0.00 O ATOM 0 H GLY A 59 10.372 6.771 0.452 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.641 5.939 2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.074 7.453 3.238 1.00 0.00 H new ATOM 924 N GLU A 60 8.435 6.634 2.132 1.00 0.00 N ATOM 925 CA GLU A 60 7.102 6.097 2.255 1.00 0.00 C ATOM 926 C GLU A 60 6.398 6.102 0.891 1.00 0.00 C ATOM 927 O GLU A 60 6.761 6.858 -0.002 1.00 0.00 O ATOM 928 CB GLU A 60 6.321 6.943 3.255 1.00 0.00 C ATOM 929 CG GLU A 60 7.017 7.252 4.589 1.00 0.00 C ATOM 930 CD GLU A 60 7.784 8.570 4.543 1.00 0.00 C ATOM 931 OE1 GLU A 60 7.103 9.610 4.396 1.00 0.00 O ATOM 932 OE2 GLU A 60 9.027 8.516 4.661 1.00 0.00 O ATOM 0 H GLU A 60 8.492 7.471 1.552 1.00 0.00 H new ATOM 0 HA GLU A 60 7.154 5.067 2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.068 7.889 2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.382 6.434 3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.273 7.293 5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.703 6.442 4.836 1.00 0.00 H new ATOM 939 N VAL A 61 5.375 5.262 0.754 1.00 0.00 N ATOM 940 CA VAL A 61 4.499 5.130 -0.405 1.00 0.00 C ATOM 941 C VAL A 61 3.360 6.127 -0.166 1.00 0.00 C ATOM 942 O VAL A 61 3.260 6.701 0.909 1.00 0.00 O ATOM 943 CB VAL A 61 3.987 3.667 -0.470 1.00 0.00 C ATOM 944 CG1 VAL A 61 2.867 3.402 -1.485 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.149 2.738 -0.825 1.00 0.00 C ATOM 0 H VAL A 61 5.120 4.614 1.499 1.00 0.00 H new ATOM 0 HA VAL A 61 4.993 5.341 -1.354 1.00 0.00 H new ATOM 0 HB VAL A 61 3.569 3.478 0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.584 2.350 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.002 4.019 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.218 3.649 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.791 1.709 -0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.560 3.023 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.925 2.819 -0.064 1.00 0.00 H new ATOM 955 N SER A 62 2.464 6.346 -1.120 1.00 0.00 N ATOM 956 CA SER A 62 1.300 7.202 -0.948 1.00 0.00 C ATOM 957 C SER A 62 0.240 6.651 -1.890 1.00 0.00 C ATOM 958 O SER A 62 0.581 5.856 -2.769 1.00 0.00 O ATOM 959 CB SER A 62 1.612 8.679 -1.203 1.00 0.00 C ATOM 960 OG SER A 62 1.942 8.879 -2.558 1.00 0.00 O ATOM 0 H SER A 62 2.528 5.927 -2.048 1.00 0.00 H new ATOM 0 HA SER A 62 0.950 7.186 0.084 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.751 9.292 -0.937 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.439 8.998 -0.569 1.00 0.00 H new ATOM 0 HG SER A 62 2.138 9.827 -2.710 1.00 0.00 H new ATOM 966 N PHE A 63 -1.025 7.047 -1.722 1.00 0.00 N ATOM 967 CA PHE A 63 -2.106 6.575 -2.579 1.00 0.00 C ATOM 968 C PHE A 63 -1.706 6.683 -4.056 1.00 0.00 C ATOM 969 O PHE A 63 -1.953 5.766 -4.832 1.00 0.00 O ATOM 970 CB PHE A 63 -3.419 7.272 -2.237 1.00 0.00 C ATOM 971 CG PHE A 63 -4.595 6.817 -3.079 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.856 7.406 -4.331 1.00 0.00 C ATOM 973 CD2 PHE A 63 -5.323 5.681 -2.680 1.00 0.00 C ATOM 974 CE1 PHE A 63 -5.879 6.890 -5.148 1.00 0.00 C ATOM 975 CE2 PHE A 63 -6.433 5.256 -3.433 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.737 5.891 -4.650 1.00 0.00 C ATOM 0 H PHE A 63 -1.322 7.697 -0.995 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.282 5.516 -2.391 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.648 7.097 -1.186 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.291 8.347 -2.361 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.272 8.252 -4.664 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.030 5.135 -1.795 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.006 7.260 -6.155 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.050 4.444 -3.077 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.624 5.614 -5.200 1.00 0.00 H new ATOM 986 N GLU A 64 -1.057 7.796 -4.412 1.00 0.00 N ATOM 987 CA GLU A 64 -0.542 8.096 -5.741 1.00 0.00 C ATOM 988 C GLU A 64 0.153 6.883 -6.364 1.00 0.00 C ATOM 989 O GLU A 64 -0.155 6.468 -7.478 1.00 0.00 O ATOM 990 CB GLU A 64 0.473 9.250 -5.607 1.00 0.00 C ATOM 991 CG GLU A 64 0.905 9.826 -6.964 1.00 0.00 C ATOM 992 CD GLU A 64 -0.261 10.397 -7.765 1.00 0.00 C ATOM 993 OE1 GLU A 64 -1.073 11.123 -7.153 1.00 0.00 O ATOM 994 OE2 GLU A 64 -0.322 10.090 -8.976 1.00 0.00 O ATOM 0 H GLU A 64 -0.870 8.545 -3.745 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.373 8.371 -6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.034 10.045 -5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.353 8.893 -5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.646 10.609 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.391 9.044 -7.547 1.00 0.00 H new ATOM 1001 N GLU A 65 1.106 6.323 -5.622 1.00 0.00 N ATOM 1002 CA GLU A 65 1.910 5.192 -6.055 1.00 0.00 C ATOM 1003 C GLU A 65 1.113 3.908 -5.867 1.00 0.00 C ATOM 1004 O GLU A 65 1.122 3.030 -6.722 1.00 0.00 O ATOM 1005 CB GLU A 65 3.226 5.069 -5.274 1.00 0.00 C ATOM 1006 CG GLU A 65 3.653 6.200 -4.332 1.00 0.00 C ATOM 1007 CD GLU A 65 4.522 7.239 -5.024 1.00 0.00 C ATOM 1008 OE1 GLU A 65 3.948 8.036 -5.797 1.00 0.00 O ATOM 1009 OE2 GLU A 65 5.745 7.208 -4.771 1.00 0.00 O ATOM 0 H GLU A 65 1.342 6.652 -4.686 1.00 0.00 H new ATOM 0 HA GLU A 65 2.157 5.356 -7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.171 4.155 -4.683 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.026 4.930 -6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.765 6.686 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.199 5.779 -3.488 1.00 0.00 H new ATOM 1016 N PHE A 66 0.434 3.809 -4.720 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.397 2.673 -4.335 1.00 0.00 C ATOM 1018 C PHE A 66 -1.308 2.180 -5.466 1.00 0.00 C ATOM 1019 O PHE A 66 -1.660 1.004 -5.492 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.212 3.055 -3.101 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.979 1.925 -2.462 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.363 1.113 -1.494 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.316 1.700 -2.825 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -2.102 0.100 -0.861 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -4.019 0.621 -2.264 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.425 -0.160 -1.259 1.00 0.00 C ATOM 0 H PHE A 66 0.451 4.544 -4.013 1.00 0.00 H new ATOM 0 HA PHE A 66 0.263 1.836 -4.106 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.538 3.481 -2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.916 3.839 -3.379 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.325 1.267 -1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.803 2.354 -3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.653 -0.480 -0.068 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.017 0.392 -2.606 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.983 -0.958 -0.793 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.690 3.044 -6.415 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.504 2.624 -7.553 1.00 0.00 C ATOM 1038 C GLN A 67 -1.856 1.450 -8.302 1.00 0.00 C ATOM 1039 O GLN A 67 -2.549 0.619 -8.886 1.00 0.00 O ATOM 1040 CB GLN A 67 -2.929 3.809 -8.438 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.510 4.967 -7.627 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.581 4.454 -6.678 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.704 4.172 -7.073 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.247 4.317 -5.410 1.00 0.00 N ATOM 0 H GLN A 67 -1.447 4.035 -6.414 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.447 2.231 -7.172 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.067 4.163 -9.004 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.669 3.470 -9.163 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.718 5.459 -7.062 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.935 5.714 -8.298 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.305 4.558 -5.102 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.931 3.970 -4.737 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.527 1.337 -8.250 1.00 0.00 N ATOM 1054 CA VAL A 68 0.178 0.194 -8.809 1.00 0.00 C ATOM 1055 C VAL A 68 -0.357 -1.055 -8.096 1.00 0.00 C ATOM 1056 O VAL A 68 -0.718 -2.033 -8.741 1.00 0.00 O ATOM 1057 CB VAL A 68 1.697 0.368 -8.636 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.462 -0.896 -9.054 1.00 0.00 C ATOM 1059 CG2 VAL A 68 2.201 1.543 -9.486 1.00 0.00 C ATOM 0 H VAL A 68 0.083 2.033 -7.821 1.00 0.00 H new ATOM 0 HA VAL A 68 0.006 0.099 -9.881 1.00 0.00 H new ATOM 0 HB VAL A 68 1.878 0.561 -7.579 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.532 -0.736 -8.918 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.140 -1.736 -8.439 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.258 -1.115 -10.102 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.277 1.653 -9.353 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.983 1.352 -10.537 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.701 2.459 -9.173 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.455 -1.040 -6.763 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.983 -2.189 -6.045 1.00 0.00 C ATOM 1071 C LEU A 69 -2.461 -2.368 -6.389 1.00 0.00 C ATOM 1072 O LEU A 69 -2.891 -3.499 -6.592 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.771 -2.087 -4.533 1.00 0.00 C ATOM 1074 CG LEU A 69 -1.095 -3.451 -3.896 1.00 0.00 C ATOM 1075 CD1 LEU A 69 0.143 -4.038 -3.222 1.00 0.00 C ATOM 1076 CD2 LEU A 69 -2.276 -3.325 -2.934 1.00 0.00 C ATOM 0 H LEU A 69 -0.179 -0.255 -6.173 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.428 -3.071 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.258 -1.803 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.412 -1.312 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.392 -4.148 -4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.107 -5.002 -2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.931 -4.173 -3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.490 -3.359 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.491 -4.298 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.028 -2.616 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.152 -2.971 -3.478 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.233 -1.275 -6.476 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.636 -1.359 -6.898 1.00 0.00 C ATOM 1090 C VAL A 70 -4.712 -2.183 -8.190 1.00 0.00 C ATOM 1091 O VAL A 70 -5.617 -2.994 -8.358 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.290 0.024 -7.062 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.729 -0.091 -7.585 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.296 0.773 -5.724 1.00 0.00 C ATOM 0 H VAL A 70 -2.912 -0.331 -6.262 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.207 -1.856 -6.114 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.700 0.579 -7.792 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.159 0.905 -7.688 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.725 -0.587 -8.556 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.326 -0.673 -6.883 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.762 1.750 -5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.859 0.199 -4.988 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.271 0.904 -5.376 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.753 -2.003 -9.099 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.693 -2.797 -10.306 1.00 0.00 C ATOM 1106 C LYS A 71 -3.279 -4.244 -9.982 1.00 0.00 C ATOM 1107 O LYS A 71 -3.878 -5.167 -10.533 1.00 0.00 O ATOM 1108 CB LYS A 71 -2.755 -2.116 -11.307 1.00 0.00 C ATOM 1109 CG LYS A 71 -2.629 -2.876 -12.631 1.00 0.00 C ATOM 1110 CD LYS A 71 -1.528 -2.251 -13.496 1.00 0.00 C ATOM 1111 CE LYS A 71 -1.820 -0.815 -13.953 1.00 0.00 C ATOM 1112 NZ LYS A 71 -3.086 -0.717 -14.700 1.00 0.00 N ATOM 0 H LYS A 71 -3.010 -1.310 -9.013 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.679 -2.860 -10.766 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.118 -1.108 -11.507 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.767 -2.015 -10.858 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.399 -3.924 -12.437 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.579 -2.852 -13.165 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.594 -2.258 -12.935 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.376 -2.876 -14.376 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.861 -0.160 -13.083 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.002 -0.461 -14.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.177 0.237 -15.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.092 -1.420 -15.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.883 -0.898 -14.057 1.00 0.00 H new ATOM 1126 N LYS A 72 -2.278 -4.491 -9.120 1.00 0.00 N ATOM 1127 CA LYS A 72 -1.823 -5.832 -8.872 1.00 0.00 C ATOM 1128 C LYS A 72 -2.791 -6.694 -8.059 1.00 0.00 C ATOM 1129 O LYS A 72 -2.717 -7.919 -8.136 1.00 0.00 O ATOM 1130 CB LYS A 72 -0.433 -5.847 -8.264 1.00 0.00 C ATOM 1131 CG LYS A 72 0.669 -5.061 -8.992 1.00 0.00 C ATOM 1132 CD LYS A 72 0.767 -5.304 -10.506 1.00 0.00 C ATOM 1133 CE LYS A 72 1.278 -6.709 -10.841 1.00 0.00 C ATOM 1134 NZ LYS A 72 1.446 -6.875 -12.296 1.00 0.00 N ATOM 0 H LYS A 72 -1.783 -3.770 -8.595 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.780 -6.298 -9.856 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.506 -5.460 -7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.111 -6.885 -8.187 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.504 -3.997 -8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.628 -5.311 -8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.214 -5.160 -10.958 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.434 -4.563 -10.948 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.230 -6.883 -10.339 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.578 -7.454 -10.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.841 -7.816 -12.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.523 -6.781 -12.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.093 -6.145 -12.656 1.00 0.00 H new ATOM 1148 N ILE A 73 -3.700 -6.109 -7.276 1.00 0.00 N ATOM 1149 CA ILE A 73 -4.664 -6.937 -6.557 1.00 0.00 C ATOM 1150 C ILE A 73 -5.533 -7.666 -7.586 1.00 0.00 C ATOM 1151 O ILE A 73 -5.848 -8.839 -7.412 1.00 0.00 O ATOM 1152 CB ILE A 73 -5.464 -6.149 -5.518 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -6.087 -4.894 -6.125 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -4.544 -5.790 -4.344 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -7.250 -4.393 -5.287 1.00 0.00 C ATOM 0 H ILE A 73 -3.787 -5.104 -7.128 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.136 -7.681 -5.961 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.285 -6.770 -5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.331 -4.113 -6.205 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.431 -5.109 -7.136 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.107 -5.228 -3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.157 -6.703 -3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.714 -5.183 -4.705 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.671 -3.499 -5.747 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.016 -5.166 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.899 -4.154 -4.283 1.00 0.00 H new ATOM 1167 N SER A 74 -5.870 -7.019 -8.707 1.00 0.00 N ATOM 1168 CA SER A 74 -6.567 -7.635 -9.828 1.00 0.00 C ATOM 1169 C SER A 74 -5.476 -8.308 -10.675 1.00 0.00 C ATOM 1170 O SER A 74 -5.412 -8.134 -11.890 1.00 0.00 O ATOM 1171 CB SER A 74 -7.307 -6.531 -10.598 1.00 0.00 C ATOM 1172 OG SER A 74 -6.593 -5.309 -10.528 1.00 0.00 O ATOM 0 H SER A 74 -5.659 -6.033 -8.858 1.00 0.00 H new ATOM 0 HA SER A 74 -7.310 -8.375 -9.530 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.430 -6.827 -11.640 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.306 -6.399 -10.184 1.00 0.00 H new ATOM 0 HG SER A 74 -5.641 -5.477 -10.686 1.00 0.00 H new ATOM 1178 N GLN A 75 -4.586 -9.047 -10.012 1.00 0.00 N ATOM 1179 CA GLN A 75 -3.410 -9.676 -10.600 1.00 0.00 C ATOM 1180 C GLN A 75 -2.813 -10.649 -9.582 1.00 0.00 C ATOM 1181 O GLN A 75 -2.922 -11.864 -9.736 1.00 0.00 O ATOM 1182 CB GLN A 75 -2.394 -8.564 -10.950 1.00 0.00 C ATOM 1183 CG GLN A 75 -1.873 -8.579 -12.396 1.00 0.00 C ATOM 1184 CD GLN A 75 -2.079 -7.230 -13.084 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -1.134 -6.601 -13.542 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -3.311 -6.749 -13.159 1.00 0.00 N ATOM 0 H GLN A 75 -4.671 -9.229 -9.012 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.668 -10.228 -11.504 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.859 -7.597 -10.759 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.543 -8.647 -10.274 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.812 -8.831 -12.398 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.387 -9.358 -12.960 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.091 -7.282 -12.774 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.480 -5.846 -13.602 1.00 0.00 H new TER 1195 GLN A 75