USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 652 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 18 TYR OH : rot 180:sc= 0.89 USER MOD Set 1.2: A 60 THR OG1 : rot -113:sc= 0.14 USER MOD Set 2.1: A 43 HIS : no HD1:sc= -0.657 K(o=-1.1,f=0.38) USER MOD Set 2.2: A 46 THR OG1 : rot -140:sc= -0.43 USER MOD Single : A 1 SER N :NH3+ -125:sc= -0.338 (180deg=-2.09!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0011 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.61 K(o=-1.6,f=-3!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.201) USER MOD Single : A 23 SER OG : rot 180:sc= -0.119 USER MOD Single : A 27 SER OG : rot 66:sc= 0.15 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.751 USER MOD Single : A 36 SER OG : rot 180:sc= 0.128 USER MOD Single : A 37 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.44) USER MOD Single : A 39 THR OG1 : rot -150:sc= -0.831 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -12:sc= 0.453 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= -5.06! USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.562 K(o=-0.56,f=-3.9!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.019) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.0581 K(o=-0.058,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.038 3.507 -2.062 1.00 33.11 N ATOM 2 CA SER A 1 4.955 2.869 -2.802 1.00 21.23 C ATOM 3 C SER A 1 4.314 3.849 -3.780 1.00 22.22 C ATOM 4 O SER A 1 3.167 4.265 -3.619 1.00 74.22 O ATOM 5 CB SER A 1 3.898 2.329 -1.836 1.00 51.53 C ATOM 6 OG SER A 1 3.133 1.301 -2.440 1.00 61.24 O ATOM 0 H1 SER A 1 6.910 2.953 -2.177 1.00 33.11 H new ATOM 0 H2 SER A 1 6.188 4.469 -2.427 1.00 33.11 H new ATOM 0 H3 SER A 1 5.788 3.555 -1.054 1.00 33.11 H new ATOM 0 HA SER A 1 5.376 2.039 -3.370 1.00 21.23 H new ATOM 0 HB2 SER A 1 4.383 1.946 -0.938 1.00 51.53 H new ATOM 0 HB3 SER A 1 3.240 3.139 -1.522 1.00 51.53 H new ATOM 0 HG SER A 1 2.466 0.972 -1.802 1.00 61.24 H new ATOM 12 N PRO A 2 5.073 4.227 -4.819 1.00 52.23 N ATOM 13 CA PRO A 2 4.601 5.162 -5.845 1.00 13.11 C ATOM 14 C PRO A 2 3.519 4.553 -6.730 1.00 53.33 C ATOM 15 O PRO A 2 3.518 3.350 -6.989 1.00 61.33 O ATOM 16 CB PRO A 2 5.860 5.455 -6.664 1.00 51.24 C ATOM 17 CG PRO A 2 6.726 4.259 -6.469 1.00 21.02 C ATOM 18 CD PRO A 2 6.450 3.771 -5.074 1.00 13.24 C ATOM 0 HA PRO A 2 4.144 6.050 -5.408 1.00 13.11 H new ATOM 0 HB2 PRO A 2 5.621 5.603 -7.717 1.00 51.24 H new ATOM 0 HB3 PRO A 2 6.355 6.363 -6.318 1.00 51.24 H new ATOM 0 HG2 PRO A 2 6.498 3.488 -7.205 1.00 21.02 H new ATOM 0 HG3 PRO A 2 7.778 4.515 -6.592 1.00 21.02 H new ATOM 0 HD2 PRO A 2 6.534 2.686 -5.004 1.00 13.24 H new ATOM 0 HD3 PRO A 2 7.152 4.192 -4.355 1.00 13.24 H new ATOM 26 N LYS A 3 2.598 5.392 -7.193 1.00 11.22 N ATOM 27 CA LYS A 3 1.510 4.938 -8.051 1.00 64.22 C ATOM 28 C LYS A 3 1.821 5.219 -9.518 1.00 21.12 C ATOM 29 O LYS A 3 1.693 6.351 -9.985 1.00 2.32 O ATOM 30 CB LYS A 3 0.201 5.623 -7.656 1.00 14.52 C ATOM 31 CG LYS A 3 -0.929 5.394 -8.645 1.00 20.41 C ATOM 32 CD LYS A 3 -2.190 6.136 -8.234 1.00 64.11 C ATOM 33 CE LYS A 3 -2.263 7.511 -8.881 1.00 63.40 C ATOM 34 NZ LYS A 3 -2.130 8.603 -7.878 1.00 44.31 N ATOM 0 H LYS A 3 2.584 6.391 -6.988 1.00 11.22 H new ATOM 0 HA LYS A 3 1.403 3.861 -7.920 1.00 64.22 H new ATOM 0 HB2 LYS A 3 -0.107 5.261 -6.675 1.00 14.52 H new ATOM 0 HB3 LYS A 3 0.376 6.694 -7.559 1.00 14.52 H new ATOM 0 HG2 LYS A 3 -0.618 5.724 -9.636 1.00 20.41 H new ATOM 0 HG3 LYS A 3 -1.141 4.327 -8.716 1.00 20.41 H new ATOM 0 HD2 LYS A 3 -3.066 5.552 -8.518 1.00 64.11 H new ATOM 0 HD3 LYS A 3 -2.214 6.241 -7.149 1.00 64.11 H new ATOM 0 HE2 LYS A 3 -1.473 7.604 -9.626 1.00 63.40 H new ATOM 0 HE3 LYS A 3 -3.212 7.615 -9.407 1.00 63.40 H new ATOM 0 HZ1 LYS A 3 -2.185 9.524 -8.358 1.00 44.31 H new ATOM 0 HZ2 LYS A 3 -2.898 8.530 -7.181 1.00 44.31 H new ATOM 0 HZ3 LYS A 3 -1.214 8.519 -7.393 1.00 44.31 H new ATOM 48 N THR A 4 2.229 4.181 -10.241 1.00 72.24 N ATOM 49 CA THR A 4 2.557 4.316 -11.655 1.00 2.12 C ATOM 50 C THR A 4 1.526 3.612 -12.529 1.00 14.12 C ATOM 51 O THR A 4 1.350 2.396 -12.441 1.00 44.44 O ATOM 52 CB THR A 4 3.953 3.743 -11.965 1.00 31.33 C ATOM 53 OG1 THR A 4 4.409 2.943 -10.868 1.00 13.34 O ATOM 54 CG2 THR A 4 4.950 4.860 -12.233 1.00 54.11 C ATOM 0 H THR A 4 2.340 3.237 -9.871 1.00 72.24 H new ATOM 0 HA THR A 4 2.552 5.383 -11.880 1.00 2.12 H new ATOM 0 HB THR A 4 3.877 3.124 -12.859 1.00 31.33 H new ATOM 0 HG1 THR A 4 5.296 2.581 -11.074 1.00 13.34 H new ATOM 0 HG21 THR A 4 5.928 4.430 -12.449 1.00 54.11 H new ATOM 0 HG22 THR A 4 4.615 5.449 -13.087 1.00 54.11 H new ATOM 0 HG23 THR A 4 5.022 5.502 -11.355 1.00 54.11 H new ATOM 62 N ILE A 5 0.846 4.383 -13.371 1.00 71.21 N ATOM 63 CA ILE A 5 -0.167 3.831 -14.262 1.00 52.44 C ATOM 64 C ILE A 5 0.460 2.917 -15.309 1.00 23.00 C ATOM 65 O ILE A 5 1.681 2.889 -15.473 1.00 73.15 O ATOM 66 CB ILE A 5 -0.955 4.945 -14.977 1.00 12.45 C ATOM 67 CG1 ILE A 5 -0.158 5.481 -16.168 1.00 30.23 C ATOM 68 CG2 ILE A 5 -1.284 6.069 -14.004 1.00 63.43 C ATOM 69 CD1 ILE A 5 1.218 5.987 -15.796 1.00 22.54 C ATOM 0 H ILE A 5 0.978 5.391 -13.455 1.00 71.21 H new ATOM 0 HA ILE A 5 -0.851 3.253 -13.641 1.00 52.44 H new ATOM 0 HB ILE A 5 -1.890 4.526 -15.349 1.00 12.45 H new ATOM 0 HG12 ILE A 5 -0.057 4.691 -16.912 1.00 30.23 H new ATOM 0 HG13 ILE A 5 -0.719 6.290 -16.636 1.00 30.23 H new ATOM 0 HG21 ILE A 5 -1.841 6.849 -14.524 1.00 63.43 H new ATOM 0 HG22 ILE A 5 -1.887 5.677 -13.185 1.00 63.43 H new ATOM 0 HG23 ILE A 5 -0.360 6.487 -13.605 1.00 63.43 H new ATOM 0 HD11 ILE A 5 1.725 6.352 -16.689 1.00 22.54 H new ATOM 0 HD12 ILE A 5 1.124 6.799 -15.075 1.00 22.54 H new ATOM 0 HD13 ILE A 5 1.797 5.176 -15.355 1.00 22.54 H new ATOM 81 N LEU A 6 -0.382 2.171 -16.016 1.00 4.22 N ATOM 82 CA LEU A 6 0.090 1.256 -17.049 1.00 73.14 C ATOM 83 C LEU A 6 -0.776 1.356 -18.301 1.00 60.23 C ATOM 84 O LEU A 6 -0.269 1.333 -19.422 1.00 74.52 O ATOM 85 CB LEU A 6 0.085 -0.181 -16.526 1.00 25.40 C ATOM 86 CG LEU A 6 0.874 -1.199 -17.351 1.00 43.43 C ATOM 87 CD1 LEU A 6 2.161 -1.583 -16.637 1.00 35.31 C ATOM 88 CD2 LEU A 6 0.027 -2.432 -17.629 1.00 41.22 C ATOM 0 H LEU A 6 -1.394 2.182 -15.893 1.00 4.22 H new ATOM 0 HA LEU A 6 1.110 1.537 -17.311 1.00 73.14 H new ATOM 0 HB2 LEU A 6 0.484 -0.178 -15.512 1.00 25.40 H new ATOM 0 HB3 LEU A 6 -0.949 -0.519 -16.461 1.00 25.40 H new ATOM 0 HG LEU A 6 1.135 -0.740 -18.305 1.00 43.43 H new ATOM 0 HD11 LEU A 6 2.709 -2.308 -17.239 1.00 35.31 H new ATOM 0 HD12 LEU A 6 2.775 -0.694 -16.491 1.00 35.31 H new ATOM 0 HD13 LEU A 6 1.923 -2.022 -15.668 1.00 35.31 H new ATOM 0 HD21 LEU A 6 0.605 -3.145 -18.217 1.00 41.22 H new ATOM 0 HD22 LEU A 6 -0.266 -2.893 -16.685 1.00 41.22 H new ATOM 0 HD23 LEU A 6 -0.865 -2.143 -18.184 1.00 41.22 H new ATOM 100 N GLY A 7 -2.086 1.469 -18.102 1.00 3.34 N ATOM 101 CA GLY A 7 -3.001 1.573 -19.223 1.00 43.52 C ATOM 102 C GLY A 7 -3.433 3.002 -19.488 1.00 33.12 C ATOM 103 O GLY A 7 -3.457 3.829 -18.576 1.00 45.31 O ATOM 0 H GLY A 7 -2.530 1.490 -17.184 1.00 3.34 H new ATOM 0 HA2 GLY A 7 -2.524 1.169 -20.116 1.00 43.52 H new ATOM 0 HA3 GLY A 7 -3.881 0.961 -19.027 1.00 43.52 H new ATOM 107 N ILE A 8 -3.775 3.293 -20.738 1.00 70.14 N ATOM 108 CA ILE A 8 -4.208 4.631 -21.120 1.00 1.42 C ATOM 109 C ILE A 8 -5.428 4.575 -22.033 1.00 11.33 C ATOM 110 O ILE A 8 -5.447 3.834 -23.015 1.00 23.14 O ATOM 111 CB ILE A 8 -3.083 5.405 -21.832 1.00 50.32 C ATOM 112 CG1 ILE A 8 -3.583 6.781 -22.277 1.00 54.13 C ATOM 113 CG2 ILE A 8 -2.567 4.612 -23.024 1.00 1.43 C ATOM 114 CD1 ILE A 8 -2.533 7.605 -22.988 1.00 41.15 C ATOM 0 H ILE A 8 -3.761 2.620 -21.504 1.00 70.14 H new ATOM 0 HA ILE A 8 -4.470 5.152 -20.199 1.00 1.42 H new ATOM 0 HB ILE A 8 -2.260 5.548 -21.131 1.00 50.32 H new ATOM 0 HG12 ILE A 8 -4.440 6.651 -22.938 1.00 54.13 H new ATOM 0 HG13 ILE A 8 -3.935 7.331 -21.404 1.00 54.13 H new ATOM 0 HG21 ILE A 8 -1.772 5.172 -23.517 1.00 1.43 H new ATOM 0 HG22 ILE A 8 -2.177 3.653 -22.682 1.00 1.43 H new ATOM 0 HG23 ILE A 8 -3.382 4.442 -23.728 1.00 1.43 H new ATOM 0 HD11 ILE A 8 -2.958 8.567 -23.274 1.00 41.15 H new ATOM 0 HD12 ILE A 8 -1.685 7.766 -22.322 1.00 41.15 H new ATOM 0 HD13 ILE A 8 -2.198 7.076 -23.880 1.00 41.15 H new ATOM 126 N GLU A 9 -6.445 5.366 -21.702 1.00 63.41 N ATOM 127 CA GLU A 9 -7.669 5.406 -22.494 1.00 3.14 C ATOM 128 C GLU A 9 -8.113 6.846 -22.735 1.00 34.24 C ATOM 129 O GLU A 9 -8.277 7.623 -21.794 1.00 25.22 O ATOM 130 CB GLU A 9 -8.783 4.627 -21.791 1.00 2.41 C ATOM 131 CG GLU A 9 -9.199 3.364 -22.525 1.00 51.14 C ATOM 132 CD GLU A 9 -10.576 2.878 -22.116 1.00 23.14 C ATOM 133 OE1 GLU A 9 -11.363 3.694 -21.593 1.00 4.33 O ATOM 134 OE2 GLU A 9 -10.866 1.680 -22.318 1.00 42.14 O ATOM 0 H GLU A 9 -6.445 5.986 -20.892 1.00 63.41 H new ATOM 0 HA GLU A 9 -7.464 4.941 -23.458 1.00 3.14 H new ATOM 0 HB2 GLU A 9 -8.451 4.361 -20.787 1.00 2.41 H new ATOM 0 HB3 GLU A 9 -9.652 5.275 -21.678 1.00 2.41 H new ATOM 0 HG2 GLU A 9 -9.188 3.552 -23.599 1.00 51.14 H new ATOM 0 HG3 GLU A 9 -8.468 2.579 -22.332 1.00 51.14 H new ATOM 141 N VAL A 10 -8.307 7.195 -24.003 1.00 35.44 N ATOM 142 CA VAL A 10 -8.734 8.540 -24.369 1.00 4.03 C ATOM 143 C VAL A 10 -10.227 8.728 -24.127 1.00 52.15 C ATOM 144 O VAL A 10 -11.033 7.854 -24.447 1.00 40.35 O ATOM 145 CB VAL A 10 -8.421 8.845 -25.846 1.00 2.54 C ATOM 146 CG1 VAL A 10 -9.081 7.820 -26.755 1.00 21.05 C ATOM 147 CG2 VAL A 10 -8.868 10.254 -26.204 1.00 54.42 C ATOM 0 H VAL A 10 -8.175 6.565 -24.794 1.00 35.44 H new ATOM 0 HA VAL A 10 -8.177 9.232 -23.737 1.00 4.03 H new ATOM 0 HB VAL A 10 -7.343 8.782 -25.992 1.00 2.54 H new ATOM 0 HG11 VAL A 10 -8.848 8.052 -27.794 1.00 21.05 H new ATOM 0 HG12 VAL A 10 -8.707 6.825 -26.513 1.00 21.05 H new ATOM 0 HG13 VAL A 10 -10.161 7.847 -26.610 1.00 21.05 H new ATOM 0 HG21 VAL A 10 -8.639 10.453 -27.251 1.00 54.42 H new ATOM 0 HG22 VAL A 10 -9.942 10.347 -26.043 1.00 54.42 H new ATOM 0 HG23 VAL A 10 -8.343 10.973 -25.575 1.00 54.42 H new ATOM 157 N SER A 11 -10.590 9.875 -23.561 1.00 62.33 N ATOM 158 CA SER A 11 -11.987 10.177 -23.274 1.00 31.12 C ATOM 159 C SER A 11 -12.247 11.678 -23.358 1.00 3.03 C ATOM 160 O SER A 11 -13.146 12.200 -22.700 1.00 10.23 O ATOM 161 CB SER A 11 -12.368 9.659 -21.886 1.00 23.24 C ATOM 162 OG SER A 11 -13.509 8.821 -21.949 1.00 63.21 O ATOM 0 H SER A 11 -9.936 10.610 -23.292 1.00 62.33 H new ATOM 0 HA SER A 11 -12.602 9.677 -24.022 1.00 31.12 H new ATOM 0 HB2 SER A 11 -11.531 9.107 -21.458 1.00 23.24 H new ATOM 0 HB3 SER A 11 -12.567 10.501 -21.223 1.00 23.24 H new ATOM 0 HG SER A 11 -13.731 8.502 -21.049 1.00 63.21 H new ATOM 168 N GLN A 12 -11.452 12.365 -24.172 1.00 22.01 N ATOM 169 CA GLN A 12 -11.595 13.806 -24.342 1.00 3.14 C ATOM 170 C GLN A 12 -12.718 14.130 -25.321 1.00 12.24 C ATOM 171 O GLN A 12 -12.772 13.582 -26.421 1.00 34.53 O ATOM 172 CB GLN A 12 -10.281 14.416 -24.834 1.00 71.55 C ATOM 173 CG GLN A 12 -9.877 13.949 -26.224 1.00 15.01 C ATOM 174 CD GLN A 12 -10.443 14.828 -27.322 1.00 1.12 C ATOM 175 OE1 GLN A 12 -10.646 16.027 -27.130 1.00 14.31 O ATOM 176 NE2 GLN A 12 -10.700 14.235 -28.482 1.00 11.22 N ATOM 0 H GLN A 12 -10.703 11.947 -24.724 1.00 22.01 H new ATOM 0 HA GLN A 12 -11.847 14.237 -23.373 1.00 3.14 H new ATOM 0 HB2 GLN A 12 -10.373 15.502 -24.837 1.00 71.55 H new ATOM 0 HB3 GLN A 12 -9.487 14.165 -24.130 1.00 71.55 H new ATOM 0 HG2 GLN A 12 -8.790 13.937 -26.297 1.00 15.01 H new ATOM 0 HG3 GLN A 12 -10.218 12.924 -26.372 1.00 15.01 H new ATOM 0 HE21 GLN A 12 -10.516 13.238 -28.597 1.00 11.22 H new ATOM 0 HE22 GLN A 12 -11.081 14.776 -29.258 1.00 11.22 H new ATOM 185 N GLU A 13 -13.613 15.025 -24.912 1.00 60.41 N ATOM 186 CA GLU A 13 -14.736 15.420 -25.754 1.00 10.01 C ATOM 187 C GLU A 13 -14.529 16.825 -26.313 1.00 62.30 C ATOM 188 O GLU A 13 -13.803 17.644 -25.749 1.00 33.12 O ATOM 189 CB GLU A 13 -16.042 15.363 -24.959 1.00 55.15 C ATOM 190 CG GLU A 13 -16.921 14.177 -25.318 1.00 35.42 C ATOM 191 CD GLU A 13 -16.690 12.984 -24.410 1.00 53.11 C ATOM 192 OE1 GLU A 13 -16.832 13.140 -23.179 1.00 41.10 O ATOM 193 OE2 GLU A 13 -16.368 11.896 -24.930 1.00 63.30 O ATOM 0 H GLU A 13 -13.582 15.489 -24.004 1.00 60.41 H new ATOM 0 HA GLU A 13 -14.796 14.721 -26.588 1.00 10.01 H new ATOM 0 HB2 GLU A 13 -15.809 15.323 -23.895 1.00 55.15 H new ATOM 0 HB3 GLU A 13 -16.601 16.283 -25.128 1.00 55.15 H new ATOM 0 HG2 GLU A 13 -17.968 14.475 -25.261 1.00 35.42 H new ATOM 0 HG3 GLU A 13 -16.728 13.886 -26.351 1.00 35.42 H new ATOM 200 N PRO A 14 -15.180 17.111 -27.450 1.00 35.41 N ATOM 201 CA PRO A 14 -15.084 18.415 -28.111 1.00 0.50 C ATOM 202 C PRO A 14 -15.779 19.519 -27.320 1.00 64.21 C ATOM 203 O PRO A 14 -16.935 19.377 -26.921 1.00 3.41 O ATOM 204 CB PRO A 14 -15.793 18.189 -29.449 1.00 20.25 C ATOM 205 CG PRO A 14 -16.736 17.065 -29.192 1.00 31.44 C ATOM 206 CD PRO A 14 -16.062 16.182 -28.177 1.00 52.33 C ATOM 0 HA PRO A 14 -14.050 18.745 -28.212 1.00 0.50 H new ATOM 0 HB2 PRO A 14 -16.323 19.085 -29.772 1.00 20.25 H new ATOM 0 HB3 PRO A 14 -15.082 17.938 -30.236 1.00 20.25 H new ATOM 0 HG2 PRO A 14 -17.690 17.434 -28.816 1.00 31.44 H new ATOM 0 HG3 PRO A 14 -16.947 16.515 -30.109 1.00 31.44 H new ATOM 0 HD2 PRO A 14 -16.785 15.710 -27.511 1.00 52.33 H new ATOM 0 HD3 PRO A 14 -15.497 15.381 -28.653 1.00 52.33 H new ATOM 214 N LYS A 15 -15.067 20.618 -27.097 1.00 2.31 N ATOM 215 CA LYS A 15 -15.615 21.748 -26.355 1.00 62.42 C ATOM 216 C LYS A 15 -14.654 22.932 -26.380 1.00 13.41 C ATOM 217 O LYS A 15 -14.806 23.852 -27.185 1.00 35.24 O ATOM 218 CB LYS A 15 -15.904 21.342 -24.908 1.00 63.11 C ATOM 219 CG LYS A 15 -16.334 22.501 -24.026 1.00 20.02 C ATOM 220 CD LYS A 15 -17.540 23.224 -24.603 1.00 24.40 C ATOM 221 CE LYS A 15 -18.745 22.302 -24.707 1.00 63.54 C ATOM 222 NZ LYS A 15 -20.010 23.062 -24.900 1.00 52.43 N ATOM 0 H LYS A 15 -14.108 20.751 -27.420 1.00 2.31 H new ATOM 0 HA LYS A 15 -16.547 22.049 -26.834 1.00 62.42 H new ATOM 0 HB2 LYS A 15 -16.685 20.582 -24.902 1.00 63.11 H new ATOM 0 HB3 LYS A 15 -15.011 20.884 -24.483 1.00 63.11 H new ATOM 0 HG2 LYS A 15 -16.573 22.131 -23.029 1.00 20.02 H new ATOM 0 HG3 LYS A 15 -15.507 23.202 -23.916 1.00 20.02 H new ATOM 0 HD2 LYS A 15 -17.788 24.079 -23.974 1.00 24.40 H new ATOM 0 HD3 LYS A 15 -17.293 23.615 -25.590 1.00 24.40 H new ATOM 0 HE2 LYS A 15 -18.604 21.613 -25.540 1.00 63.54 H new ATOM 0 HE3 LYS A 15 -18.819 21.698 -23.803 1.00 63.54 H new ATOM 0 HZ1 LYS A 15 -20.807 22.398 -24.966 1.00 52.43 H new ATOM 0 HZ2 LYS A 15 -20.158 23.701 -24.093 1.00 52.43 H new ATOM 0 HZ3 LYS A 15 -19.950 23.619 -25.776 1.00 52.43 H new ATOM 236 N LYS A 16 -13.664 22.904 -25.495 1.00 21.14 N ATOM 237 CA LYS A 16 -12.676 23.974 -25.416 1.00 72.51 C ATOM 238 C LYS A 16 -13.337 25.338 -25.588 1.00 23.31 C ATOM 239 O LYS A 16 -12.928 26.133 -26.434 1.00 12.52 O ATOM 240 CB LYS A 16 -11.598 23.779 -26.484 1.00 44.12 C ATOM 241 CG LYS A 16 -10.192 24.073 -25.990 1.00 1.43 C ATOM 242 CD LYS A 16 -9.150 23.294 -26.775 1.00 31.04 C ATOM 243 CE LYS A 16 -9.240 21.802 -26.492 1.00 12.23 C ATOM 244 NZ LYS A 16 -8.121 21.333 -25.629 1.00 63.44 N ATOM 0 H LYS A 16 -13.524 22.151 -24.821 1.00 21.14 H new ATOM 0 HA LYS A 16 -12.213 23.936 -24.430 1.00 72.51 H new ATOM 0 HB2 LYS A 16 -11.639 22.752 -26.847 1.00 44.12 H new ATOM 0 HB3 LYS A 16 -11.818 24.426 -27.333 1.00 44.12 H new ATOM 0 HG2 LYS A 16 -9.991 25.141 -26.077 1.00 1.43 H new ATOM 0 HG3 LYS A 16 -10.117 23.819 -24.933 1.00 1.43 H new ATOM 0 HD2 LYS A 16 -9.288 23.472 -27.841 1.00 31.04 H new ATOM 0 HD3 LYS A 16 -8.154 23.655 -26.518 1.00 31.04 H new ATOM 0 HE2 LYS A 16 -10.190 21.581 -26.006 1.00 12.23 H new ATOM 0 HE3 LYS A 16 -9.228 21.252 -27.433 1.00 12.23 H new ATOM 0 HZ1 LYS A 16 -8.345 20.390 -25.252 1.00 63.44 H new ATOM 0 HZ2 LYS A 16 -7.247 21.282 -26.191 1.00 63.44 H new ATOM 0 HZ3 LYS A 16 -7.988 21.999 -24.841 1.00 63.44 H new ATOM 258 N ASP A 17 -14.358 25.601 -24.780 1.00 44.50 N ATOM 259 CA ASP A 17 -15.073 26.871 -24.841 1.00 61.22 C ATOM 260 C ASP A 17 -15.108 27.542 -23.471 1.00 63.55 C ATOM 261 O ASP A 17 -15.551 26.947 -22.489 1.00 34.31 O ATOM 262 CB ASP A 17 -16.498 26.654 -25.353 1.00 22.42 C ATOM 263 CG ASP A 17 -16.568 26.602 -26.866 1.00 61.14 C ATOM 264 OD1 ASP A 17 -16.343 27.650 -27.507 1.00 41.22 O ATOM 265 OD2 ASP A 17 -16.847 25.513 -27.410 1.00 50.21 O ATOM 0 H ASP A 17 -14.709 24.952 -24.075 1.00 44.50 H new ATOM 0 HA ASP A 17 -14.542 27.526 -25.532 1.00 61.22 H new ATOM 0 HB2 ASP A 17 -16.891 25.724 -24.942 1.00 22.42 H new ATOM 0 HB3 ASP A 17 -17.138 27.458 -24.990 1.00 22.42 H new ATOM 270 N TYR A 18 -14.636 28.782 -23.414 1.00 32.01 N ATOM 271 CA TYR A 18 -14.610 29.532 -22.164 1.00 0.40 C ATOM 272 C TYR A 18 -14.914 31.007 -22.408 1.00 1.53 C ATOM 273 O TYR A 18 -14.437 31.600 -23.376 1.00 43.33 O ATOM 274 CB TYR A 18 -13.247 29.386 -21.486 1.00 1.34 C ATOM 275 CG TYR A 18 -12.148 30.178 -22.158 1.00 11.34 C ATOM 276 CD1 TYR A 18 -11.551 29.722 -23.326 1.00 43.20 C ATOM 277 CD2 TYR A 18 -11.708 31.384 -21.624 1.00 60.42 C ATOM 278 CE1 TYR A 18 -10.546 30.442 -23.943 1.00 10.22 C ATOM 279 CE2 TYR A 18 -10.705 32.111 -22.235 1.00 2.11 C ATOM 280 CZ TYR A 18 -10.127 31.636 -23.394 1.00 3.04 C ATOM 281 OH TYR A 18 -9.127 32.357 -24.006 1.00 31.13 O ATOM 0 H TYR A 18 -14.266 29.289 -24.218 1.00 32.01 H new ATOM 0 HA TYR A 18 -15.380 29.124 -21.509 1.00 0.40 H new ATOM 0 HB2 TYR A 18 -13.331 29.706 -20.448 1.00 1.34 H new ATOM 0 HB3 TYR A 18 -12.968 28.332 -21.473 1.00 1.34 H new ATOM 0 HD1 TYR A 18 -11.878 28.788 -23.760 1.00 43.20 H new ATOM 0 HD2 TYR A 18 -12.158 31.759 -20.716 1.00 60.42 H new ATOM 0 HE1 TYR A 18 -10.091 30.072 -24.850 1.00 10.22 H new ATOM 0 HE2 TYR A 18 -10.375 33.046 -21.808 1.00 2.11 H new ATOM 0 HH TYR A 18 -8.951 33.173 -23.493 1.00 31.13 H new ATOM 291 N LEU A 19 -15.711 31.595 -21.522 1.00 23.43 N ATOM 292 CA LEU A 19 -16.079 33.001 -21.638 1.00 52.31 C ATOM 293 C LEU A 19 -15.023 33.896 -20.997 1.00 60.21 C ATOM 294 O LEU A 19 -14.265 33.457 -20.132 1.00 10.22 O ATOM 295 CB LEU A 19 -17.439 33.249 -20.983 1.00 31.51 C ATOM 296 CG LEU A 19 -17.614 32.693 -19.569 1.00 2.41 C ATOM 297 CD1 LEU A 19 -17.790 33.826 -18.569 1.00 24.41 C ATOM 298 CD2 LEU A 19 -18.799 31.741 -19.513 1.00 31.34 C ATOM 0 H LEU A 19 -16.115 31.119 -20.715 1.00 23.43 H new ATOM 0 HA LEU A 19 -16.143 33.247 -22.698 1.00 52.31 H new ATOM 0 HB2 LEU A 19 -17.615 34.324 -20.953 1.00 31.51 H new ATOM 0 HB3 LEU A 19 -18.211 32.817 -21.620 1.00 31.51 H new ATOM 0 HG LEU A 19 -16.715 32.137 -19.303 1.00 2.41 H new ATOM 0 HD11 LEU A 19 -17.913 33.412 -17.568 1.00 24.41 H new ATOM 0 HD12 LEU A 19 -16.911 34.470 -18.590 1.00 24.41 H new ATOM 0 HD13 LEU A 19 -18.673 34.409 -18.832 1.00 24.41 H new ATOM 0 HD21 LEU A 19 -18.908 31.355 -18.499 1.00 31.34 H new ATOM 0 HD22 LEU A 19 -19.707 32.273 -19.799 1.00 31.34 H new ATOM 0 HD23 LEU A 19 -18.632 30.912 -20.201 1.00 31.34 H new ATOM 310 N VAL A 20 -14.980 35.153 -21.426 1.00 51.22 N ATOM 311 CA VAL A 20 -14.019 36.111 -20.892 1.00 73.10 C ATOM 312 C VAL A 20 -14.025 36.103 -19.368 1.00 30.05 C ATOM 313 O VAL A 20 -15.076 35.977 -18.741 1.00 12.01 O ATOM 314 CB VAL A 20 -14.315 37.539 -21.388 1.00 71.21 C ATOM 315 CG1 VAL A 20 -13.247 38.506 -20.901 1.00 22.44 C ATOM 316 CG2 VAL A 20 -14.417 37.565 -22.906 1.00 22.33 C ATOM 0 H VAL A 20 -15.600 35.532 -22.142 1.00 51.22 H new ATOM 0 HA VAL A 20 -13.036 35.806 -21.251 1.00 73.10 H new ATOM 0 HB VAL A 20 -15.273 37.856 -20.976 1.00 71.21 H new ATOM 0 HG11 VAL A 20 -13.473 39.510 -21.261 1.00 22.44 H new ATOM 0 HG12 VAL A 20 -13.227 38.508 -19.811 1.00 22.44 H new ATOM 0 HG13 VAL A 20 -12.274 38.195 -21.281 1.00 22.44 H new ATOM 0 HG21 VAL A 20 -14.626 38.581 -23.239 1.00 22.33 H new ATOM 0 HG22 VAL A 20 -13.476 37.228 -23.340 1.00 22.33 H new ATOM 0 HG23 VAL A 20 -15.222 36.905 -23.228 1.00 22.33 H new ATOM 326 N GLY A 21 -12.842 36.239 -18.776 1.00 30.02 N ATOM 327 CA GLY A 21 -12.733 36.245 -17.329 1.00 2.33 C ATOM 328 C GLY A 21 -12.447 34.868 -16.763 1.00 15.32 C ATOM 329 O GLY A 21 -11.859 34.741 -15.689 1.00 33.22 O ATOM 0 H GLY A 21 -11.958 36.345 -19.273 1.00 30.02 H new ATOM 0 HA2 GLY A 21 -11.939 36.929 -17.030 1.00 2.33 H new ATOM 0 HA3 GLY A 21 -13.660 36.626 -16.900 1.00 2.33 H new ATOM 333 N ASP A 22 -12.866 33.835 -17.485 1.00 50.24 N ATOM 334 CA ASP A 22 -12.653 32.460 -17.049 1.00 3.22 C ATOM 335 C ASP A 22 -11.229 32.006 -17.358 1.00 55.44 C ATOM 336 O ASP A 22 -10.554 31.425 -16.509 1.00 51.40 O ATOM 337 CB ASP A 22 -13.658 31.526 -17.725 1.00 5.21 C ATOM 338 CG ASP A 22 -13.841 30.226 -16.967 1.00 2.35 C ATOM 339 OD1 ASP A 22 -12.996 29.921 -16.099 1.00 2.12 O ATOM 340 OD2 ASP A 22 -14.830 29.515 -17.240 1.00 64.30 O ATOM 0 H ASP A 22 -13.355 33.924 -18.375 1.00 50.24 H new ATOM 0 HA ASP A 22 -12.802 32.420 -15.970 1.00 3.22 H new ATOM 0 HB2 ASP A 22 -14.620 32.032 -17.810 1.00 5.21 H new ATOM 0 HB3 ASP A 22 -13.322 31.308 -18.739 1.00 5.21 H new ATOM 345 N SER A 23 -10.781 32.275 -18.580 1.00 62.25 N ATOM 346 CA SER A 23 -9.440 31.890 -19.004 1.00 63.30 C ATOM 347 C SER A 23 -9.263 30.376 -18.938 1.00 61.32 C ATOM 348 O SER A 23 -9.034 29.811 -17.867 1.00 55.53 O ATOM 349 CB SER A 23 -8.389 32.576 -18.129 1.00 61.20 C ATOM 350 OG SER A 23 -8.913 33.746 -17.526 1.00 2.12 O ATOM 0 H SER A 23 -11.327 32.758 -19.294 1.00 62.25 H new ATOM 0 HA SER A 23 -9.307 32.209 -20.038 1.00 63.30 H new ATOM 0 HB2 SER A 23 -8.048 31.887 -17.357 1.00 61.20 H new ATOM 0 HB3 SER A 23 -7.519 32.833 -18.734 1.00 61.20 H new ATOM 0 HG SER A 23 -8.223 34.165 -16.971 1.00 2.12 H new ATOM 356 N LEU A 24 -9.370 29.723 -20.090 1.00 53.44 N ATOM 357 CA LEU A 24 -9.223 28.274 -20.166 1.00 5.03 C ATOM 358 C LEU A 24 -10.232 27.576 -19.260 1.00 73.03 C ATOM 359 O LEU A 24 -10.005 27.427 -18.060 1.00 33.15 O ATOM 360 CB LEU A 24 -7.801 27.865 -19.774 1.00 54.50 C ATOM 361 CG LEU A 24 -6.708 28.174 -20.797 1.00 51.25 C ATOM 362 CD1 LEU A 24 -5.868 29.357 -20.341 1.00 22.54 C ATOM 363 CD2 LEU A 24 -5.832 26.952 -21.027 1.00 23.41 C ATOM 0 H LEU A 24 -9.558 30.175 -20.985 1.00 53.44 H new ATOM 0 HA LEU A 24 -9.413 27.968 -21.195 1.00 5.03 H new ATOM 0 HB2 LEU A 24 -7.546 28.363 -18.838 1.00 54.50 H new ATOM 0 HB3 LEU A 24 -7.794 26.793 -19.577 1.00 54.50 H new ATOM 0 HG LEU A 24 -7.185 28.437 -21.741 1.00 51.25 H new ATOM 0 HD11 LEU A 24 -5.095 29.562 -21.082 1.00 22.54 H new ATOM 0 HD12 LEU A 24 -6.505 30.234 -20.229 1.00 22.54 H new ATOM 0 HD13 LEU A 24 -5.400 29.124 -19.384 1.00 22.54 H new ATOM 0 HD21 LEU A 24 -5.060 27.190 -21.758 1.00 23.41 H new ATOM 0 HD22 LEU A 24 -5.364 26.658 -20.088 1.00 23.41 H new ATOM 0 HD23 LEU A 24 -6.444 26.131 -21.400 1.00 23.41 H new ATOM 375 N ASP A 25 -11.346 27.148 -19.844 1.00 52.54 N ATOM 376 CA ASP A 25 -12.390 26.463 -19.091 1.00 62.33 C ATOM 377 C ASP A 25 -12.588 25.041 -19.609 1.00 15.44 C ATOM 378 O ASP A 25 -13.645 24.439 -19.411 1.00 3.30 O ATOM 379 CB ASP A 25 -13.705 27.239 -19.178 1.00 62.21 C ATOM 380 CG ASP A 25 -14.741 26.735 -18.192 1.00 64.04 C ATOM 381 OD1 ASP A 25 -14.517 26.878 -16.972 1.00 42.04 O ATOM 382 OD2 ASP A 25 -15.775 26.197 -18.641 1.00 23.11 O ATOM 0 H ASP A 25 -11.549 27.263 -20.837 1.00 52.54 H new ATOM 0 HA ASP A 25 -12.077 26.411 -18.048 1.00 62.33 H new ATOM 0 HB2 ASP A 25 -13.513 28.296 -18.991 1.00 62.21 H new ATOM 0 HB3 ASP A 25 -14.103 27.162 -20.190 1.00 62.21 H new ATOM 387 N LEU A 26 -11.567 24.511 -20.273 1.00 35.15 N ATOM 388 CA LEU A 26 -11.630 23.160 -20.820 1.00 3.12 C ATOM 389 C LEU A 26 -12.031 22.155 -19.745 1.00 12.00 C ATOM 390 O LEU A 26 -11.319 21.969 -18.758 1.00 73.22 O ATOM 391 CB LEU A 26 -10.278 22.769 -21.420 1.00 53.24 C ATOM 392 CG LEU A 26 -10.166 21.338 -21.947 1.00 34.24 C ATOM 393 CD1 LEU A 26 -10.849 21.212 -23.300 1.00 22.42 C ATOM 394 CD2 LEU A 26 -8.707 20.917 -22.042 1.00 10.22 C ATOM 0 H LEU A 26 -10.686 24.996 -20.446 1.00 35.15 H new ATOM 0 HA LEU A 26 -12.387 23.147 -21.604 1.00 3.12 H new ATOM 0 HB2 LEU A 26 -10.054 23.454 -22.237 1.00 53.24 H new ATOM 0 HB3 LEU A 26 -9.510 22.916 -20.661 1.00 53.24 H new ATOM 0 HG LEU A 26 -10.670 20.673 -21.246 1.00 34.24 H new ATOM 0 HD11 LEU A 26 -10.759 20.187 -23.659 1.00 22.42 H new ATOM 0 HD12 LEU A 26 -11.903 21.470 -23.201 1.00 22.42 H new ATOM 0 HD13 LEU A 26 -10.375 21.888 -24.011 1.00 22.42 H new ATOM 0 HD21 LEU A 26 -8.647 19.896 -22.419 1.00 10.22 H new ATOM 0 HD22 LEU A 26 -8.179 21.586 -22.721 1.00 10.22 H new ATOM 0 HD23 LEU A 26 -8.249 20.967 -21.054 1.00 10.22 H new ATOM 406 N SER A 27 -13.175 21.508 -19.945 1.00 11.25 N ATOM 407 CA SER A 27 -13.672 20.523 -18.992 1.00 33.34 C ATOM 408 C SER A 27 -14.040 19.222 -19.698 1.00 75.50 C ATOM 409 O SER A 27 -14.505 18.272 -19.069 1.00 32.23 O ATOM 410 CB SER A 27 -14.889 21.073 -18.245 1.00 30.21 C ATOM 411 OG SER A 27 -14.527 22.159 -17.410 1.00 42.22 O ATOM 0 H SER A 27 -13.775 21.648 -20.758 1.00 11.25 H new ATOM 0 HA SER A 27 -12.878 20.315 -18.275 1.00 33.34 H new ATOM 0 HB2 SER A 27 -15.644 21.397 -18.962 1.00 30.21 H new ATOM 0 HB3 SER A 27 -15.339 20.282 -17.644 1.00 30.21 H new ATOM 0 HG SER A 27 -14.237 22.914 -17.963 1.00 42.22 H new ATOM 417 N GLU A 28 -13.829 19.187 -21.010 1.00 42.40 N ATOM 418 CA GLU A 28 -14.139 18.003 -21.803 1.00 12.44 C ATOM 419 C GLU A 28 -12.868 17.235 -22.154 1.00 12.13 C ATOM 420 O GLU A 28 -12.916 16.049 -22.478 1.00 12.41 O ATOM 421 CB GLU A 28 -14.879 18.399 -23.082 1.00 72.42 C ATOM 422 CG GLU A 28 -16.302 18.874 -22.840 1.00 42.53 C ATOM 423 CD GLU A 28 -17.089 17.932 -21.951 1.00 30.21 C ATOM 424 OE1 GLU A 28 -17.182 16.734 -22.293 1.00 15.23 O ATOM 425 OE2 GLU A 28 -17.612 18.391 -20.914 1.00 44.10 O ATOM 0 H GLU A 28 -13.445 19.965 -21.546 1.00 42.40 H new ATOM 0 HA GLU A 28 -14.781 17.355 -21.206 1.00 12.44 H new ATOM 0 HB2 GLU A 28 -14.322 19.190 -23.584 1.00 72.42 H new ATOM 0 HB3 GLU A 28 -14.900 17.545 -23.759 1.00 72.42 H new ATOM 0 HG2 GLU A 28 -16.278 19.863 -22.383 1.00 42.53 H new ATOM 0 HG3 GLU A 28 -16.814 18.977 -23.797 1.00 42.53 H new ATOM 432 N GLY A 29 -11.731 17.921 -22.087 1.00 12.32 N ATOM 433 CA GLY A 29 -10.463 17.289 -22.401 1.00 35.33 C ATOM 434 C GLY A 29 -9.922 16.470 -21.246 1.00 12.15 C ATOM 435 O GLY A 29 -8.819 16.723 -20.760 1.00 35.30 O ATOM 0 H GLY A 29 -11.666 18.903 -21.821 1.00 12.32 H new ATOM 0 HA2 GLY A 29 -10.587 16.646 -23.272 1.00 35.33 H new ATOM 0 HA3 GLY A 29 -9.736 18.055 -22.671 1.00 35.33 H new ATOM 439 N ARG A 30 -10.700 15.488 -20.803 1.00 30.40 N ATOM 440 CA ARG A 30 -10.293 14.631 -19.695 1.00 54.23 C ATOM 441 C ARG A 30 -9.984 13.219 -20.185 1.00 11.41 C ATOM 442 O ARG A 30 -10.655 12.699 -21.076 1.00 75.01 O ATOM 443 CB ARG A 30 -11.390 14.584 -18.630 1.00 12.11 C ATOM 444 CG ARG A 30 -12.501 13.595 -18.943 1.00 13.32 C ATOM 445 CD ARG A 30 -13.847 14.093 -18.440 1.00 35.40 C ATOM 446 NE ARG A 30 -14.915 13.126 -18.686 1.00 44.52 N ATOM 447 CZ ARG A 30 -16.138 13.237 -18.180 1.00 4.42 C ATOM 448 NH1 ARG A 30 -16.447 14.267 -17.404 1.00 4.11 N ATOM 449 NH2 ARG A 30 -17.055 12.317 -18.450 1.00 2.23 N ATOM 0 H ARG A 30 -11.616 15.266 -21.194 1.00 30.40 H new ATOM 0 HA ARG A 30 -9.388 15.051 -19.257 1.00 54.23 H new ATOM 0 HB2 ARG A 30 -10.943 14.323 -17.671 1.00 12.11 H new ATOM 0 HB3 ARG A 30 -11.821 15.579 -18.520 1.00 12.11 H new ATOM 0 HG2 ARG A 30 -12.551 13.431 -20.019 1.00 13.32 H new ATOM 0 HG3 ARG A 30 -12.273 12.633 -18.484 1.00 13.32 H new ATOM 0 HD2 ARG A 30 -13.782 14.297 -17.371 1.00 35.40 H new ATOM 0 HD3 ARG A 30 -14.091 15.035 -18.930 1.00 35.40 H new ATOM 0 HE ARG A 30 -14.710 12.322 -19.279 1.00 44.52 H new ATOM 0 HH11 ARG A 30 -15.745 14.976 -17.194 1.00 4.11 H new ATOM 0 HH12 ARG A 30 -17.387 14.350 -17.017 1.00 4.11 H new ATOM 0 HH21 ARG A 30 -16.821 11.523 -19.047 1.00 2.23 H new ATOM 0 HH22 ARG A 30 -17.994 12.403 -18.061 1.00 2.23 H new ATOM 463 N PHE A 31 -8.963 12.605 -19.596 1.00 51.25 N ATOM 464 CA PHE A 31 -8.563 11.254 -19.973 1.00 54.44 C ATOM 465 C PHE A 31 -8.640 10.311 -18.777 1.00 32.41 C ATOM 466 O PHE A 31 -8.454 10.725 -17.633 1.00 62.22 O ATOM 467 CB PHE A 31 -7.143 11.260 -20.543 1.00 31.04 C ATOM 468 CG PHE A 31 -6.110 11.755 -19.571 1.00 70.30 C ATOM 469 CD1 PHE A 31 -5.865 13.111 -19.431 1.00 43.11 C ATOM 470 CD2 PHE A 31 -5.384 10.863 -18.798 1.00 43.11 C ATOM 471 CE1 PHE A 31 -4.915 13.570 -18.538 1.00 20.22 C ATOM 472 CE2 PHE A 31 -4.433 11.316 -17.903 1.00 31.12 C ATOM 473 CZ PHE A 31 -4.198 12.671 -17.773 1.00 65.34 C ATOM 0 H PHE A 31 -8.398 13.021 -18.856 1.00 51.25 H new ATOM 0 HA PHE A 31 -9.252 10.898 -20.739 1.00 54.44 H new ATOM 0 HB2 PHE A 31 -6.881 10.249 -20.856 1.00 31.04 H new ATOM 0 HB3 PHE A 31 -7.121 11.886 -21.435 1.00 31.04 H new ATOM 0 HD1 PHE A 31 -6.423 13.818 -20.027 1.00 43.11 H new ATOM 0 HD2 PHE A 31 -5.563 9.802 -18.896 1.00 43.11 H new ATOM 0 HE1 PHE A 31 -4.734 14.630 -18.439 1.00 20.22 H new ATOM 0 HE2 PHE A 31 -3.874 10.611 -17.306 1.00 31.12 H new ATOM 0 HZ PHE A 31 -3.455 13.027 -17.075 1.00 65.34 H new ATOM 483 N ALA A 32 -8.917 9.040 -19.050 1.00 63.31 N ATOM 484 CA ALA A 32 -9.017 8.036 -17.997 1.00 41.45 C ATOM 485 C ALA A 32 -7.810 7.104 -18.011 1.00 13.11 C ATOM 486 O ALA A 32 -7.557 6.414 -18.999 1.00 12.05 O ATOM 487 CB ALA A 32 -10.304 7.239 -18.149 1.00 40.21 C ATOM 0 H ALA A 32 -9.076 8.681 -19.991 1.00 63.31 H new ATOM 0 HA ALA A 32 -9.033 8.552 -17.037 1.00 41.45 H new ATOM 0 HB1 ALA A 32 -10.366 6.493 -17.357 1.00 40.21 H new ATOM 0 HB2 ALA A 32 -11.159 7.912 -18.081 1.00 40.21 H new ATOM 0 HB3 ALA A 32 -10.311 6.740 -19.118 1.00 40.21 H new ATOM 493 N VAL A 33 -7.068 7.089 -16.909 1.00 5.04 N ATOM 494 CA VAL A 33 -5.887 6.241 -16.794 1.00 31.13 C ATOM 495 C VAL A 33 -6.149 5.057 -15.869 1.00 42.32 C ATOM 496 O VAL A 33 -6.812 5.194 -14.842 1.00 30.13 O ATOM 497 CB VAL A 33 -4.676 7.033 -16.265 1.00 73.15 C ATOM 498 CG1 VAL A 33 -4.789 7.241 -14.763 1.00 3.50 C ATOM 499 CG2 VAL A 33 -3.379 6.320 -16.618 1.00 13.24 C ATOM 0 H VAL A 33 -7.263 7.654 -16.083 1.00 5.04 H new ATOM 0 HA VAL A 33 -5.662 5.874 -17.795 1.00 31.13 H new ATOM 0 HB VAL A 33 -4.667 8.013 -16.743 1.00 73.15 H new ATOM 0 HG11 VAL A 33 -3.925 7.802 -14.407 1.00 3.50 H new ATOM 0 HG12 VAL A 33 -5.700 7.797 -14.540 1.00 3.50 H new ATOM 0 HG13 VAL A 33 -4.824 6.273 -14.263 1.00 3.50 H new ATOM 0 HG21 VAL A 33 -2.534 6.893 -16.237 1.00 13.24 H new ATOM 0 HG22 VAL A 33 -3.376 5.327 -16.169 1.00 13.24 H new ATOM 0 HG23 VAL A 33 -3.297 6.229 -17.701 1.00 13.24 H new ATOM 509 N ALA A 34 -5.623 3.895 -16.241 1.00 45.15 N ATOM 510 CA ALA A 34 -5.797 2.687 -15.444 1.00 42.24 C ATOM 511 C ALA A 34 -4.535 2.367 -14.650 1.00 15.35 C ATOM 512 O ALA A 34 -3.424 2.442 -15.174 1.00 20.41 O ATOM 513 CB ALA A 34 -6.171 1.514 -16.338 1.00 54.44 C ATOM 0 H ALA A 34 -5.073 3.764 -17.090 1.00 45.15 H new ATOM 0 HA ALA A 34 -6.606 2.863 -14.735 1.00 42.24 H new ATOM 0 HB1 ALA A 34 -6.298 0.619 -15.729 1.00 54.44 H new ATOM 0 HB2 ALA A 34 -7.104 1.735 -16.857 1.00 54.44 H new ATOM 0 HB3 ALA A 34 -5.380 1.347 -17.069 1.00 54.44 H new ATOM 519 N TYR A 35 -4.715 2.012 -13.382 1.00 62.02 N ATOM 520 CA TYR A 35 -3.590 1.684 -12.514 1.00 74.30 C ATOM 521 C TYR A 35 -3.372 0.175 -12.452 1.00 51.12 C ATOM 522 O TYR A 35 -4.324 -0.604 -12.496 1.00 15.44 O ATOM 523 CB TYR A 35 -3.828 2.234 -11.107 1.00 1.03 C ATOM 524 CG TYR A 35 -2.631 2.098 -10.193 1.00 62.03 C ATOM 525 CD1 TYR A 35 -1.339 2.256 -10.680 1.00 31.11 C ATOM 526 CD2 TYR A 35 -2.792 1.812 -8.843 1.00 3.41 C ATOM 527 CE1 TYR A 35 -0.243 2.132 -9.849 1.00 24.40 C ATOM 528 CE2 TYR A 35 -1.701 1.688 -8.004 1.00 61.23 C ATOM 529 CZ TYR A 35 -0.429 1.848 -8.512 1.00 64.21 C ATOM 530 OH TYR A 35 0.661 1.725 -7.681 1.00 21.32 O ATOM 0 H TYR A 35 -5.628 1.944 -12.933 1.00 62.02 H new ATOM 0 HA TYR A 35 -2.695 2.146 -12.931 1.00 74.30 H new ATOM 0 HB2 TYR A 35 -4.102 3.287 -11.179 1.00 1.03 H new ATOM 0 HB3 TYR A 35 -4.676 1.714 -10.661 1.00 1.03 H new ATOM 0 HD1 TYR A 35 -1.190 2.480 -11.726 1.00 31.11 H new ATOM 0 HD2 TYR A 35 -3.787 1.684 -8.442 1.00 3.41 H new ATOM 0 HE1 TYR A 35 0.754 2.257 -10.244 1.00 24.40 H new ATOM 0 HE2 TYR A 35 -1.844 1.467 -6.957 1.00 61.23 H new ATOM 0 HH TYR A 35 0.358 1.525 -6.771 1.00 21.32 H new ATOM 540 N SER A 36 -2.110 -0.230 -12.350 1.00 12.02 N ATOM 541 CA SER A 36 -1.765 -1.645 -12.285 1.00 25.11 C ATOM 542 C SER A 36 -2.426 -2.311 -11.083 1.00 33.45 C ATOM 543 O SER A 36 -2.557 -3.533 -11.031 1.00 32.54 O ATOM 544 CB SER A 36 -0.246 -1.818 -12.207 1.00 14.14 C ATOM 545 OG SER A 36 0.403 -0.565 -12.077 1.00 64.30 O ATOM 0 H SER A 36 -1.310 0.402 -12.311 1.00 12.02 H new ATOM 0 HA SER A 36 -2.133 -2.125 -13.192 1.00 25.11 H new ATOM 0 HB2 SER A 36 0.008 -2.453 -11.358 1.00 14.14 H new ATOM 0 HB3 SER A 36 0.112 -2.326 -13.103 1.00 14.14 H new ATOM 0 HG SER A 36 1.372 -0.702 -12.028 1.00 64.30 H new ATOM 551 N ASN A 37 -2.842 -1.498 -10.117 1.00 43.53 N ATOM 552 CA ASN A 37 -3.490 -2.007 -8.914 1.00 44.01 C ATOM 553 C ASN A 37 -5.006 -2.028 -9.080 1.00 70.34 C ATOM 554 O ASN A 37 -5.749 -1.988 -8.100 1.00 0.15 O ATOM 555 CB ASN A 37 -3.110 -1.151 -7.704 1.00 60.20 C ATOM 556 CG ASN A 37 -3.306 -1.886 -6.392 1.00 1.11 C ATOM 557 OD1 ASN A 37 -4.370 -1.809 -5.777 1.00 41.24 O ATOM 558 ND2 ASN A 37 -2.277 -2.603 -5.956 1.00 61.44 N ATOM 0 H ASN A 37 -2.742 -0.483 -10.144 1.00 43.53 H new ATOM 0 HA ASN A 37 -3.146 -3.028 -8.751 1.00 44.01 H new ATOM 0 HB2 ASN A 37 -2.068 -0.843 -7.793 1.00 60.20 H new ATOM 0 HB3 ASN A 37 -3.712 -0.242 -7.702 1.00 60.20 H new ATOM 0 HD21 ASN A 37 -2.350 -3.118 -5.079 1.00 61.44 H new ATOM 0 HD22 ASN A 37 -1.414 -2.638 -6.498 1.00 61.44 H new ATOM 565 N ASP A 38 -5.458 -2.093 -10.328 1.00 1.41 N ATOM 566 CA ASP A 38 -6.886 -2.121 -10.623 1.00 64.15 C ATOM 567 C ASP A 38 -7.567 -0.846 -10.136 1.00 71.21 C ATOM 568 O ASP A 38 -8.339 -0.869 -9.177 1.00 32.10 O ATOM 569 CB ASP A 38 -7.538 -3.343 -9.975 1.00 11.12 C ATOM 570 CG ASP A 38 -8.882 -3.677 -10.591 1.00 73.02 C ATOM 571 OD1 ASP A 38 -9.550 -2.750 -11.095 1.00 34.22 O ATOM 572 OD2 ASP A 38 -9.267 -4.865 -10.569 1.00 64.32 O ATOM 0 H ASP A 38 -4.856 -2.127 -11.151 1.00 1.41 H new ATOM 0 HA ASP A 38 -7.008 -2.185 -11.704 1.00 64.15 H new ATOM 0 HB2 ASP A 38 -6.873 -4.201 -10.074 1.00 11.12 H new ATOM 0 HB3 ASP A 38 -7.666 -3.160 -8.908 1.00 11.12 H new ATOM 577 N THR A 39 -7.276 0.267 -10.803 1.00 24.44 N ATOM 578 CA THR A 39 -7.858 1.552 -10.436 1.00 62.54 C ATOM 579 C THR A 39 -8.012 2.453 -11.656 1.00 73.32 C ATOM 580 O THR A 39 -7.359 2.246 -12.679 1.00 13.34 O ATOM 581 CB THR A 39 -7.001 2.277 -9.382 1.00 25.41 C ATOM 582 OG1 THR A 39 -6.024 1.379 -8.843 1.00 64.11 O ATOM 583 CG2 THR A 39 -7.870 2.821 -8.259 1.00 13.11 C ATOM 0 H THR A 39 -6.641 0.304 -11.600 1.00 24.44 H new ATOM 0 HA THR A 39 -8.841 1.345 -10.013 1.00 62.54 H new ATOM 0 HB THR A 39 -6.497 3.113 -9.868 1.00 25.41 H new ATOM 0 HG1 THR A 39 -5.823 1.632 -7.918 1.00 64.11 H new ATOM 0 HG21 THR A 39 -7.242 3.329 -7.527 1.00 13.11 H new ATOM 0 HG22 THR A 39 -8.594 3.526 -8.668 1.00 13.11 H new ATOM 0 HG23 THR A 39 -8.398 1.998 -7.776 1.00 13.11 H new ATOM 591 N MET A 40 -8.880 3.453 -11.541 1.00 60.20 N ATOM 592 CA MET A 40 -9.118 4.387 -12.635 1.00 52.02 C ATOM 593 C MET A 40 -9.294 5.808 -12.108 1.00 71.34 C ATOM 594 O MET A 40 -9.978 6.028 -11.110 1.00 14.12 O ATOM 595 CB MET A 40 -10.356 3.969 -13.431 1.00 31.31 C ATOM 596 CG MET A 40 -10.056 2.982 -14.548 1.00 1.04 C ATOM 597 SD MET A 40 -10.332 1.270 -14.054 1.00 62.22 S ATOM 598 CE MET A 40 -10.509 0.481 -15.653 1.00 1.34 C ATOM 0 H MET A 40 -9.430 3.637 -10.702 1.00 60.20 H new ATOM 0 HA MET A 40 -8.249 4.367 -13.292 1.00 52.02 H new ATOM 0 HB2 MET A 40 -11.083 3.525 -12.750 1.00 31.31 H new ATOM 0 HB3 MET A 40 -10.821 4.858 -13.858 1.00 31.31 H new ATOM 0 HG2 MET A 40 -10.682 3.213 -15.410 1.00 1.04 H new ATOM 0 HG3 MET A 40 -9.020 3.102 -14.865 1.00 1.04 H new ATOM 0 HE1 MET A 40 -10.686 -0.586 -15.515 1.00 1.34 H new ATOM 0 HE2 MET A 40 -11.352 0.922 -16.185 1.00 1.34 H new ATOM 0 HE3 MET A 40 -9.598 0.626 -16.233 1.00 1.34 H new ATOM 608 N GLU A 41 -8.672 6.767 -12.786 1.00 63.05 N ATOM 609 CA GLU A 41 -8.760 8.166 -12.385 1.00 23.15 C ATOM 610 C GLU A 41 -9.000 9.065 -13.594 1.00 12.34 C ATOM 611 O GLU A 41 -8.331 8.937 -14.618 1.00 24.21 O ATOM 612 CB GLU A 41 -7.480 8.594 -11.663 1.00 61.22 C ATOM 613 CG GLU A 41 -7.593 8.555 -10.148 1.00 51.55 C ATOM 614 CD GLU A 41 -7.313 9.901 -9.508 1.00 52.33 C ATOM 615 OE1 GLU A 41 -8.046 10.866 -9.812 1.00 32.21 O ATOM 616 OE2 GLU A 41 -6.362 9.990 -8.704 1.00 41.24 O ATOM 0 H GLU A 41 -8.102 6.601 -13.615 1.00 63.05 H new ATOM 0 HA GLU A 41 -9.605 8.270 -11.704 1.00 23.15 H new ATOM 0 HB2 GLU A 41 -6.662 7.944 -11.975 1.00 61.22 H new ATOM 0 HB3 GLU A 41 -7.219 9.606 -11.973 1.00 61.22 H new ATOM 0 HG2 GLU A 41 -8.594 8.226 -9.870 1.00 51.55 H new ATOM 0 HG3 GLU A 41 -6.894 7.817 -9.754 1.00 51.55 H new ATOM 623 N GLU A 42 -9.961 9.975 -13.465 1.00 72.15 N ATOM 624 CA GLU A 42 -10.291 10.894 -14.548 1.00 41.50 C ATOM 625 C GLU A 42 -10.100 12.343 -14.108 1.00 53.23 C ATOM 626 O GLU A 42 -10.417 12.707 -12.975 1.00 61.40 O ATOM 627 CB GLU A 42 -11.733 10.676 -15.011 1.00 41.11 C ATOM 628 CG GLU A 42 -12.026 9.247 -15.434 1.00 73.44 C ATOM 629 CD GLU A 42 -13.279 8.691 -14.785 1.00 3.25 C ATOM 630 OE1 GLU A 42 -14.210 9.480 -14.519 1.00 61.44 O ATOM 631 OE2 GLU A 42 -13.327 7.467 -14.541 1.00 51.14 O ATOM 0 H GLU A 42 -10.524 10.095 -12.623 1.00 72.15 H new ATOM 0 HA GLU A 42 -9.616 10.692 -15.380 1.00 41.50 H new ATOM 0 HB2 GLU A 42 -12.411 10.953 -14.204 1.00 41.11 H new ATOM 0 HB3 GLU A 42 -11.942 11.344 -15.847 1.00 41.11 H new ATOM 0 HG2 GLU A 42 -12.135 9.208 -16.518 1.00 73.44 H new ATOM 0 HG3 GLU A 42 -11.177 8.614 -15.176 1.00 73.44 H new ATOM 638 N HIS A 43 -9.580 13.167 -15.013 1.00 21.50 N ATOM 639 CA HIS A 43 -9.347 14.576 -14.719 1.00 45.13 C ATOM 640 C HIS A 43 -9.362 15.407 -15.999 1.00 5.34 C ATOM 641 O HIS A 43 -8.857 14.977 -17.036 1.00 1.23 O ATOM 642 CB HIS A 43 -8.011 14.754 -13.997 1.00 64.03 C ATOM 643 CG HIS A 43 -8.151 15.248 -12.591 1.00 12.35 C ATOM 644 ND1 HIS A 43 -7.306 14.866 -11.571 1.00 5.35 N ATOM 645 CD2 HIS A 43 -9.045 16.101 -12.037 1.00 32.52 C ATOM 646 CE1 HIS A 43 -7.674 15.461 -10.450 1.00 34.31 C ATOM 647 NE2 HIS A 43 -8.727 16.216 -10.706 1.00 35.32 N ATOM 0 H HIS A 43 -9.312 12.883 -15.955 1.00 21.50 H new ATOM 0 HA HIS A 43 -10.151 14.925 -14.070 1.00 45.13 H new ATOM 0 HB2 HIS A 43 -7.483 13.801 -13.987 1.00 64.03 H new ATOM 0 HB3 HIS A 43 -7.394 15.455 -14.560 1.00 64.03 H new ATOM 0 HD2 HIS A 43 -9.857 16.598 -12.547 1.00 32.52 H new ATOM 0 HE1 HIS A 43 -7.195 15.349 -9.488 1.00 34.31 H new ATOM 0 HE2 HIS A 43 -9.223 16.791 -10.026 1.00 35.32 H new ATOM 655 N SER A 44 -9.944 16.599 -15.917 1.00 52.25 N ATOM 656 CA SER A 44 -10.029 17.489 -17.070 1.00 30.41 C ATOM 657 C SER A 44 -9.248 18.775 -16.822 1.00 4.32 C ATOM 658 O SER A 44 -9.499 19.491 -15.852 1.00 73.10 O ATOM 659 CB SER A 44 -11.490 17.818 -17.380 1.00 75.11 C ATOM 660 OG SER A 44 -11.940 18.919 -16.609 1.00 61.05 O ATOM 0 H SER A 44 -10.364 16.971 -15.065 1.00 52.25 H new ATOM 0 HA SER A 44 -9.590 16.977 -17.926 1.00 30.41 H new ATOM 0 HB2 SER A 44 -11.598 18.045 -18.441 1.00 75.11 H new ATOM 0 HB3 SER A 44 -12.113 16.948 -17.175 1.00 75.11 H new ATOM 0 HG SER A 44 -11.289 19.111 -15.902 1.00 61.05 H new ATOM 666 N PHE A 45 -8.298 19.063 -17.706 1.00 23.15 N ATOM 667 CA PHE A 45 -7.478 20.262 -17.583 1.00 44.42 C ATOM 668 C PHE A 45 -6.529 20.154 -16.393 1.00 61.40 C ATOM 669 O PHE A 45 -5.313 20.049 -16.560 1.00 72.40 O ATOM 670 CB PHE A 45 -8.365 21.499 -17.431 1.00 12.41 C ATOM 671 CG PHE A 45 -7.647 22.790 -17.705 1.00 73.15 C ATOM 672 CD1 PHE A 45 -6.848 22.928 -18.829 1.00 54.10 C ATOM 673 CD2 PHE A 45 -7.771 23.865 -16.840 1.00 21.54 C ATOM 674 CE1 PHE A 45 -6.187 24.114 -19.085 1.00 3.31 C ATOM 675 CE2 PHE A 45 -7.112 25.053 -17.091 1.00 10.25 C ATOM 676 CZ PHE A 45 -6.318 25.178 -18.214 1.00 20.12 C ATOM 0 H PHE A 45 -8.077 18.482 -18.515 1.00 23.15 H new ATOM 0 HA PHE A 45 -6.883 20.359 -18.491 1.00 44.42 H new ATOM 0 HB2 PHE A 45 -9.213 21.413 -18.110 1.00 12.41 H new ATOM 0 HB3 PHE A 45 -8.768 21.525 -16.419 1.00 12.41 H new ATOM 0 HD1 PHE A 45 -6.741 22.099 -19.513 1.00 54.10 H new ATOM 0 HD2 PHE A 45 -8.390 23.773 -15.960 1.00 21.54 H new ATOM 0 HE1 PHE A 45 -5.569 24.209 -19.965 1.00 3.31 H new ATOM 0 HE2 PHE A 45 -7.218 25.884 -16.409 1.00 10.25 H new ATOM 0 HZ PHE A 45 -5.801 26.105 -18.411 1.00 20.12 H new ATOM 686 N THR A 46 -7.093 20.180 -15.190 1.00 12.15 N ATOM 687 CA THR A 46 -6.299 20.086 -13.971 1.00 14.41 C ATOM 688 C THR A 46 -5.223 19.015 -14.097 1.00 64.12 C ATOM 689 O THR A 46 -4.108 19.180 -13.602 1.00 3.41 O ATOM 690 CB THR A 46 -7.182 19.770 -12.749 1.00 22.14 C ATOM 691 OG1 THR A 46 -8.002 18.628 -13.019 1.00 53.03 O ATOM 692 CG2 THR A 46 -8.061 20.960 -12.393 1.00 63.51 C ATOM 0 H THR A 46 -8.097 20.265 -15.033 1.00 12.15 H new ATOM 0 HA THR A 46 -5.825 21.057 -13.826 1.00 14.41 H new ATOM 0 HB THR A 46 -6.529 19.556 -11.903 1.00 22.14 H new ATOM 0 HG1 THR A 46 -8.897 18.773 -12.648 1.00 53.03 H new ATOM 0 HG21 THR A 46 -8.675 20.713 -11.527 1.00 63.51 H new ATOM 0 HG22 THR A 46 -7.433 21.819 -12.159 1.00 63.51 H new ATOM 0 HG23 THR A 46 -8.706 21.202 -13.238 1.00 63.51 H new ATOM 700 N ASP A 47 -5.563 17.917 -14.763 1.00 65.13 N ATOM 701 CA ASP A 47 -4.623 16.818 -14.956 1.00 53.23 C ATOM 702 C ASP A 47 -3.297 17.328 -15.510 1.00 44.32 C ATOM 703 O ASP A 47 -3.257 17.966 -16.562 1.00 21.12 O ATOM 704 CB ASP A 47 -5.216 15.772 -15.901 1.00 54.25 C ATOM 705 CG ASP A 47 -5.157 14.371 -15.325 1.00 14.20 C ATOM 706 OD1 ASP A 47 -4.258 14.106 -14.500 1.00 43.11 O ATOM 707 OD2 ASP A 47 -6.011 13.540 -15.698 1.00 15.31 O ATOM 0 H ASP A 47 -6.482 17.764 -15.178 1.00 65.13 H new ATOM 0 HA ASP A 47 -4.437 16.357 -13.986 1.00 53.23 H new ATOM 0 HB2 ASP A 47 -6.253 16.029 -16.118 1.00 54.25 H new ATOM 0 HB3 ASP A 47 -4.677 15.795 -16.848 1.00 54.25 H new ATOM 712 N GLU A 48 -2.213 17.043 -14.794 1.00 54.51 N ATOM 713 CA GLU A 48 -0.886 17.476 -15.214 1.00 25.30 C ATOM 714 C GLU A 48 -0.198 16.394 -16.043 1.00 54.51 C ATOM 715 O GLU A 48 1.022 16.400 -16.201 1.00 74.15 O ATOM 716 CB GLU A 48 -0.028 17.821 -13.995 1.00 20.13 C ATOM 717 CG GLU A 48 -0.315 19.197 -13.418 1.00 52.25 C ATOM 718 CD GLU A 48 0.854 19.755 -12.631 1.00 11.54 C ATOM 719 OE1 GLU A 48 1.996 19.310 -12.867 1.00 42.12 O ATOM 720 OE2 GLU A 48 0.626 20.638 -11.777 1.00 51.53 O ATOM 0 H GLU A 48 -2.228 16.515 -13.922 1.00 54.51 H new ATOM 0 HA GLU A 48 -1.001 18.366 -15.832 1.00 25.30 H new ATOM 0 HB2 GLU A 48 -0.192 17.071 -13.222 1.00 20.13 H new ATOM 0 HB3 GLU A 48 1.024 17.766 -14.274 1.00 20.13 H new ATOM 0 HG2 GLU A 48 -0.563 19.882 -14.229 1.00 52.25 H new ATOM 0 HG3 GLU A 48 -1.190 19.140 -12.770 1.00 52.25 H new ATOM 727 N GLY A 49 -0.992 15.467 -16.570 1.00 71.10 N ATOM 728 CA GLY A 49 -0.443 14.392 -17.376 1.00 34.33 C ATOM 729 C GLY A 49 -0.460 14.711 -18.857 1.00 42.14 C ATOM 730 O GLY A 49 0.293 14.124 -19.635 1.00 31.12 O ATOM 0 H GLY A 49 -2.005 15.441 -16.453 1.00 71.10 H new ATOM 0 HA2 GLY A 49 0.582 14.194 -17.062 1.00 34.33 H new ATOM 0 HA3 GLY A 49 -1.013 13.480 -17.197 1.00 34.33 H new ATOM 734 N VAL A 50 -1.322 15.644 -19.251 1.00 25.42 N ATOM 735 CA VAL A 50 -1.434 16.040 -20.649 1.00 64.35 C ATOM 736 C VAL A 50 -0.894 17.449 -20.866 1.00 71.04 C ATOM 737 O VAL A 50 -1.064 18.326 -20.020 1.00 21.21 O ATOM 738 CB VAL A 50 -2.894 15.981 -21.134 1.00 74.22 C ATOM 739 CG1 VAL A 50 -3.389 14.543 -21.166 1.00 61.35 C ATOM 740 CG2 VAL A 50 -3.784 16.839 -20.248 1.00 53.42 C ATOM 0 H VAL A 50 -1.953 16.139 -18.621 1.00 25.42 H new ATOM 0 HA VAL A 50 -0.839 15.333 -21.227 1.00 64.35 H new ATOM 0 HB VAL A 50 -2.938 16.378 -22.148 1.00 74.22 H new ATOM 0 HG11 VAL A 50 -4.423 14.522 -21.511 1.00 61.35 H new ATOM 0 HG12 VAL A 50 -2.767 13.959 -21.845 1.00 61.35 H new ATOM 0 HG13 VAL A 50 -3.332 14.116 -20.165 1.00 61.35 H new ATOM 0 HG21 VAL A 50 -4.812 16.786 -20.605 1.00 53.42 H new ATOM 0 HG22 VAL A 50 -3.737 16.474 -19.222 1.00 53.42 H new ATOM 0 HG23 VAL A 50 -3.442 17.873 -20.281 1.00 53.42 H new ATOM 750 N GLU A 51 -0.244 17.659 -22.007 1.00 22.23 N ATOM 751 CA GLU A 51 0.321 18.963 -22.334 1.00 60.44 C ATOM 752 C GLU A 51 -0.229 19.476 -23.662 1.00 63.53 C ATOM 753 O GLU A 51 -0.386 18.713 -24.617 1.00 1.53 O ATOM 754 CB GLU A 51 1.848 18.880 -22.400 1.00 15.14 C ATOM 755 CG GLU A 51 2.505 18.690 -21.043 1.00 43.32 C ATOM 756 CD GLU A 51 3.517 17.561 -21.038 1.00 60.23 C ATOM 757 OE1 GLU A 51 4.648 17.776 -21.522 1.00 3.52 O ATOM 758 OE2 GLU A 51 3.178 16.462 -20.552 1.00 21.02 O ATOM 0 H GLU A 51 -0.096 16.944 -22.719 1.00 22.23 H new ATOM 0 HA GLU A 51 0.036 19.662 -21.548 1.00 60.44 H new ATOM 0 HB2 GLU A 51 2.131 18.053 -23.051 1.00 15.14 H new ATOM 0 HB3 GLU A 51 2.234 19.791 -22.857 1.00 15.14 H new ATOM 0 HG2 GLU A 51 2.998 19.617 -20.749 1.00 43.32 H new ATOM 0 HG3 GLU A 51 1.737 18.488 -20.297 1.00 43.32 H new ATOM 765 N ILE A 52 -0.519 20.771 -23.715 1.00 34.04 N ATOM 766 CA ILE A 52 -1.051 21.386 -24.925 1.00 20.24 C ATOM 767 C ILE A 52 -0.066 22.393 -25.508 1.00 65.31 C ATOM 768 O ILE A 52 0.581 23.141 -24.775 1.00 31.34 O ATOM 769 CB ILE A 52 -2.392 22.094 -24.654 1.00 45.10 C ATOM 770 CG1 ILE A 52 -3.200 21.321 -23.610 1.00 51.11 C ATOM 771 CG2 ILE A 52 -3.184 22.239 -25.945 1.00 1.13 C ATOM 772 CD1 ILE A 52 -3.457 19.880 -23.991 1.00 20.23 C ATOM 0 H ILE A 52 -0.395 21.415 -22.934 1.00 34.04 H new ATOM 0 HA ILE A 52 -1.213 20.582 -25.643 1.00 20.24 H new ATOM 0 HB ILE A 52 -2.188 23.090 -24.262 1.00 45.10 H new ATOM 0 HG12 ILE A 52 -2.669 21.348 -22.659 1.00 51.11 H new ATOM 0 HG13 ILE A 52 -4.155 21.824 -23.456 1.00 51.11 H new ATOM 0 HG21 ILE A 52 -4.129 22.741 -25.738 1.00 1.13 H new ATOM 0 HG22 ILE A 52 -2.610 22.828 -26.660 1.00 1.13 H new ATOM 0 HG23 ILE A 52 -3.382 21.252 -26.363 1.00 1.13 H new ATOM 0 HD11 ILE A 52 -4.035 19.393 -23.205 1.00 20.23 H new ATOM 0 HD12 ILE A 52 -4.015 19.845 -24.926 1.00 20.23 H new ATOM 0 HD13 ILE A 52 -2.506 19.362 -24.116 1.00 20.23 H new ATOM 784 N SER A 53 0.043 22.407 -26.833 1.00 13.22 N ATOM 785 CA SER A 53 0.951 23.321 -27.516 1.00 11.24 C ATOM 786 C SER A 53 0.230 24.070 -28.633 1.00 30.43 C ATOM 787 O SER A 53 -0.633 23.514 -29.311 1.00 15.34 O ATOM 788 CB SER A 53 2.145 22.555 -28.088 1.00 31.33 C ATOM 789 OG SER A 53 3.366 23.046 -27.562 1.00 53.32 O ATOM 0 H SER A 53 -0.486 21.796 -27.455 1.00 13.22 H new ATOM 0 HA SER A 53 1.310 24.048 -26.788 1.00 11.24 H new ATOM 0 HB2 SER A 53 2.046 21.495 -27.856 1.00 31.33 H new ATOM 0 HB3 SER A 53 2.152 22.644 -29.174 1.00 31.33 H new ATOM 0 HG SER A 53 4.113 22.539 -27.942 1.00 53.32 H new ATOM 795 N GLY A 54 0.592 25.336 -28.818 1.00 60.52 N ATOM 796 CA GLY A 54 -0.029 26.141 -29.853 1.00 72.34 C ATOM 797 C GLY A 54 -1.113 27.050 -29.309 1.00 32.52 C ATOM 798 O GLY A 54 -1.523 28.004 -29.970 1.00 1.01 O ATOM 0 H GLY A 54 1.304 25.818 -28.270 1.00 60.52 H new ATOM 0 HA2 GLY A 54 0.733 26.744 -30.346 1.00 72.34 H new ATOM 0 HA3 GLY A 54 -0.456 25.485 -30.612 1.00 72.34 H new ATOM 802 N TYR A 55 -1.580 26.753 -28.101 1.00 73.43 N ATOM 803 CA TYR A 55 -2.627 27.548 -27.470 1.00 23.33 C ATOM 804 C TYR A 55 -2.036 28.769 -26.772 1.00 54.52 C ATOM 805 O TYR A 55 -0.970 28.695 -26.161 1.00 72.31 O ATOM 806 CB TYR A 55 -3.405 26.698 -26.463 1.00 44.23 C ATOM 807 CG TYR A 55 -3.343 27.228 -25.048 1.00 71.14 C ATOM 808 CD1 TYR A 55 -4.204 28.232 -24.624 1.00 14.31 C ATOM 809 CD2 TYR A 55 -2.423 26.725 -24.137 1.00 35.05 C ATOM 810 CE1 TYR A 55 -4.152 28.720 -23.332 1.00 64.04 C ATOM 811 CE2 TYR A 55 -2.365 27.205 -22.843 1.00 5.53 C ATOM 812 CZ TYR A 55 -3.230 28.203 -22.446 1.00 14.05 C ATOM 813 OH TYR A 55 -3.174 28.685 -21.158 1.00 42.40 O ATOM 0 H TYR A 55 -1.250 25.968 -27.540 1.00 73.43 H new ATOM 0 HA TYR A 55 -3.308 27.891 -28.249 1.00 23.33 H new ATOM 0 HB2 TYR A 55 -4.448 26.642 -26.776 1.00 44.23 H new ATOM 0 HB3 TYR A 55 -3.013 25.681 -26.479 1.00 44.23 H new ATOM 0 HD1 TYR A 55 -4.927 28.638 -25.316 1.00 14.31 H new ATOM 0 HD2 TYR A 55 -1.742 25.946 -24.445 1.00 35.05 H new ATOM 0 HE1 TYR A 55 -4.829 29.501 -23.018 1.00 64.04 H new ATOM 0 HE2 TYR A 55 -1.646 26.801 -22.146 1.00 5.53 H new ATOM 0 HH TYR A 55 -2.471 28.214 -20.663 1.00 42.40 H new ATOM 823 N ASP A 56 -2.738 29.893 -26.868 1.00 10.41 N ATOM 824 CA ASP A 56 -2.286 31.132 -26.245 1.00 50.33 C ATOM 825 C ASP A 56 -3.198 31.522 -25.086 1.00 53.35 C ATOM 826 O ASP A 56 -4.390 31.763 -25.276 1.00 11.12 O ATOM 827 CB ASP A 56 -2.241 32.260 -27.277 1.00 53.14 C ATOM 828 CG ASP A 56 -0.865 32.429 -27.891 1.00 13.42 C ATOM 829 OD1 ASP A 56 -0.535 31.669 -28.824 1.00 63.12 O ATOM 830 OD2 ASP A 56 -0.119 33.322 -27.437 1.00 24.22 O ATOM 0 H ASP A 56 -3.622 29.972 -27.371 1.00 10.41 H new ATOM 0 HA ASP A 56 -1.282 30.968 -25.854 1.00 50.33 H new ATOM 0 HB2 ASP A 56 -2.965 32.056 -28.066 1.00 53.14 H new ATOM 0 HB3 ASP A 56 -2.541 33.194 -26.803 1.00 53.14 H new ATOM 835 N ALA A 57 -2.630 31.581 -23.887 1.00 2.54 N ATOM 836 CA ALA A 57 -3.391 31.943 -22.698 1.00 34.05 C ATOM 837 C ALA A 57 -3.673 33.441 -22.660 1.00 45.31 C ATOM 838 O ALA A 57 -4.436 33.917 -21.821 1.00 0.35 O ATOM 839 CB ALA A 57 -2.647 31.512 -21.443 1.00 4.34 C ATOM 0 H ALA A 57 -1.645 31.383 -23.713 1.00 2.54 H new ATOM 0 HA ALA A 57 -4.347 31.421 -22.737 1.00 34.05 H new ATOM 0 HB1 ALA A 57 -3.227 31.789 -20.563 1.00 4.34 H new ATOM 0 HB2 ALA A 57 -2.504 30.432 -21.458 1.00 4.34 H new ATOM 0 HB3 ALA A 57 -1.676 32.006 -21.408 1.00 4.34 H new ATOM 845 N GLN A 58 -3.050 34.178 -23.574 1.00 53.44 N ATOM 846 CA GLN A 58 -3.233 35.623 -23.644 1.00 14.32 C ATOM 847 C GLN A 58 -4.259 35.991 -24.711 1.00 13.44 C ATOM 848 O GLN A 58 -4.727 37.128 -24.771 1.00 55.52 O ATOM 849 CB GLN A 58 -1.901 36.314 -23.941 1.00 32.22 C ATOM 850 CG GLN A 58 -1.317 37.049 -22.745 1.00 62.52 C ATOM 851 CD GLN A 58 -0.316 38.114 -23.147 1.00 21.21 C ATOM 852 OE1 GLN A 58 -0.664 39.091 -23.811 1.00 34.34 O ATOM 853 NE2 GLN A 58 0.937 37.931 -22.746 1.00 14.14 N ATOM 0 H GLN A 58 -2.415 33.799 -24.276 1.00 53.44 H new ATOM 0 HA GLN A 58 -3.603 35.964 -22.677 1.00 14.32 H new ATOM 0 HB2 GLN A 58 -1.183 35.569 -24.285 1.00 32.22 H new ATOM 0 HB3 GLN A 58 -2.042 37.021 -24.758 1.00 32.22 H new ATOM 0 HG2 GLN A 58 -2.125 37.511 -22.177 1.00 62.52 H new ATOM 0 HG3 GLN A 58 -0.832 36.331 -22.083 1.00 62.52 H new ATOM 0 HE21 GLN A 58 1.182 37.107 -22.197 1.00 14.14 H new ATOM 0 HE22 GLN A 58 1.655 38.615 -22.987 1.00 14.14 H new ATOM 862 N LYS A 59 -4.605 35.022 -25.551 1.00 41.23 N ATOM 863 CA LYS A 59 -5.576 35.243 -26.616 1.00 72.32 C ATOM 864 C LYS A 59 -5.966 33.925 -27.278 1.00 52.03 C ATOM 865 O LYS A 59 -5.143 33.019 -27.415 1.00 53.13 O ATOM 866 CB LYS A 59 -5.007 36.203 -27.663 1.00 61.21 C ATOM 867 CG LYS A 59 -5.507 37.629 -27.516 1.00 0.42 C ATOM 868 CD LYS A 59 -4.357 38.622 -27.471 1.00 30.41 C ATOM 869 CE LYS A 59 -4.826 39.999 -27.028 1.00 32.14 C ATOM 870 NZ LYS A 59 -3.730 40.780 -26.391 1.00 43.12 N ATOM 0 H LYS A 59 -4.227 34.075 -25.515 1.00 41.23 H new ATOM 0 HA LYS A 59 -6.468 35.686 -26.174 1.00 72.32 H new ATOM 0 HB2 LYS A 59 -3.919 36.199 -27.594 1.00 61.21 H new ATOM 0 HB3 LYS A 59 -5.264 35.837 -28.657 1.00 61.21 H new ATOM 0 HG2 LYS A 59 -6.166 37.872 -28.349 1.00 0.42 H new ATOM 0 HG3 LYS A 59 -6.099 37.716 -26.605 1.00 0.42 H new ATOM 0 HD2 LYS A 59 -3.589 38.260 -26.787 1.00 30.41 H new ATOM 0 HD3 LYS A 59 -3.897 38.693 -28.457 1.00 30.41 H new ATOM 0 HE2 LYS A 59 -5.209 40.547 -27.889 1.00 32.14 H new ATOM 0 HE3 LYS A 59 -5.652 39.892 -26.325 1.00 32.14 H new ATOM 0 HZ1 LYS A 59 -4.090 41.712 -26.103 1.00 43.12 H new ATOM 0 HZ2 LYS A 59 -3.381 40.270 -25.554 1.00 43.12 H new ATOM 0 HZ3 LYS A 59 -2.952 40.904 -27.070 1.00 43.12 H new ATOM 884 N THR A 60 -7.227 33.825 -27.689 1.00 64.42 N ATOM 885 CA THR A 60 -7.725 32.618 -28.337 1.00 54.22 C ATOM 886 C THR A 60 -8.150 32.901 -29.774 1.00 1.13 C ATOM 887 O THR A 60 -7.409 32.625 -30.716 1.00 41.01 O ATOM 888 CB THR A 60 -8.919 32.021 -27.569 1.00 74.42 C ATOM 889 OG1 THR A 60 -9.501 33.014 -26.718 1.00 54.42 O ATOM 890 CG2 THR A 60 -8.483 30.825 -26.736 1.00 73.33 C ATOM 0 H THR A 60 -7.921 34.565 -27.584 1.00 64.42 H new ATOM 0 HA THR A 60 -6.906 31.898 -28.338 1.00 54.22 H new ATOM 0 HB THR A 60 -9.659 31.687 -28.296 1.00 74.42 H new ATOM 0 HG1 THR A 60 -9.360 32.765 -25.781 1.00 54.42 H new ATOM 0 HG21 THR A 60 -9.343 30.420 -26.203 1.00 73.33 H new ATOM 0 HG22 THR A 60 -8.068 30.058 -27.390 1.00 73.33 H new ATOM 0 HG23 THR A 60 -7.725 31.139 -26.018 1.00 73.33 H new ATOM 898 N GLY A 61 -9.348 33.455 -29.934 1.00 33.41 N ATOM 899 CA GLY A 61 -9.850 33.766 -31.259 1.00 52.33 C ATOM 900 C GLY A 61 -9.613 32.642 -32.248 1.00 50.33 C ATOM 901 O GLY A 61 -8.972 32.840 -33.281 1.00 30.24 O ATOM 0 H GLY A 61 -9.980 33.694 -29.169 1.00 33.41 H new ATOM 0 HA2 GLY A 61 -10.918 33.974 -31.200 1.00 52.33 H new ATOM 0 HA3 GLY A 61 -9.368 34.673 -31.623 1.00 52.33 H new ATOM 905 N ARG A 62 -10.130 31.459 -31.932 1.00 45.31 N ATOM 906 CA ARG A 62 -9.968 30.299 -32.799 1.00 62.35 C ATOM 907 C ARG A 62 -8.501 29.888 -32.891 1.00 10.14 C ATOM 908 O ARG A 62 -7.886 29.980 -33.953 1.00 34.12 O ATOM 909 CB ARG A 62 -10.512 30.600 -34.197 1.00 41.11 C ATOM 910 CG ARG A 62 -10.857 29.355 -34.998 1.00 14.22 C ATOM 911 CD ARG A 62 -10.202 29.376 -36.370 1.00 33.31 C ATOM 912 NE ARG A 62 -11.108 28.908 -37.416 1.00 22.42 N ATOM 913 CZ ARG A 62 -10.860 29.037 -38.714 1.00 71.14 C ATOM 914 NH1 ARG A 62 -9.740 29.617 -39.125 1.00 34.45 N ATOM 915 NH2 ARG A 62 -11.733 28.585 -39.606 1.00 11.52 N ATOM 0 H ARG A 62 -10.664 31.279 -31.082 1.00 45.31 H new ATOM 0 HA ARG A 62 -10.532 29.473 -32.366 1.00 62.35 H new ATOM 0 HB2 ARG A 62 -11.403 31.221 -34.105 1.00 41.11 H new ATOM 0 HB3 ARG A 62 -9.773 31.183 -34.747 1.00 41.11 H new ATOM 0 HG2 ARG A 62 -10.533 28.469 -34.452 1.00 14.22 H new ATOM 0 HG3 ARG A 62 -11.939 29.282 -35.111 1.00 14.22 H new ATOM 0 HD2 ARG A 62 -9.875 30.390 -36.600 1.00 33.31 H new ATOM 0 HD3 ARG A 62 -9.310 28.749 -36.356 1.00 33.31 H new ATOM 0 HE ARG A 62 -11.979 28.458 -37.134 1.00 22.42 H new ATOM 0 HH11 ARG A 62 -9.066 29.965 -38.443 1.00 34.45 H new ATOM 0 HH12 ARG A 62 -9.553 29.714 -40.123 1.00 34.45 H new ATOM 0 HH21 ARG A 62 -12.595 28.138 -39.295 1.00 11.52 H new ATOM 0 HH22 ARG A 62 -11.541 28.685 -40.603 1.00 11.52 H new ATOM 929 N GLN A 63 -7.948 29.436 -31.770 1.00 3.32 N ATOM 930 CA GLN A 63 -6.553 29.013 -31.724 1.00 10.23 C ATOM 931 C GLN A 63 -6.446 27.492 -31.719 1.00 25.11 C ATOM 932 O GLN A 63 -7.294 26.800 -31.155 1.00 1.13 O ATOM 933 CB GLN A 63 -5.864 29.589 -30.485 1.00 72.12 C ATOM 934 CG GLN A 63 -5.116 30.885 -30.752 1.00 62.24 C ATOM 935 CD GLN A 63 -3.611 30.708 -30.714 1.00 4.15 C ATOM 936 OE1 GLN A 63 -3.041 30.359 -29.679 1.00 14.42 O ATOM 937 NE2 GLN A 63 -2.957 30.948 -31.844 1.00 43.31 N ATOM 0 H GLN A 63 -8.444 29.353 -30.882 1.00 3.32 H new ATOM 0 HA GLN A 63 -6.055 29.391 -32.617 1.00 10.23 H new ATOM 0 HB2 GLN A 63 -6.612 29.764 -29.712 1.00 72.12 H new ATOM 0 HB3 GLN A 63 -5.165 28.850 -30.092 1.00 72.12 H new ATOM 0 HG2 GLN A 63 -5.408 31.274 -31.727 1.00 62.24 H new ATOM 0 HG3 GLN A 63 -5.409 31.629 -30.011 1.00 62.24 H new ATOM 0 HE21 GLN A 63 -3.469 31.235 -32.678 1.00 43.31 H new ATOM 0 HE22 GLN A 63 -1.943 30.845 -31.878 1.00 43.31 H new ATOM 946 N THR A 64 -5.397 26.976 -32.352 1.00 63.50 N ATOM 947 CA THR A 64 -5.179 25.536 -32.422 1.00 42.22 C ATOM 948 C THR A 64 -4.626 24.999 -31.107 1.00 34.10 C ATOM 949 O THR A 64 -3.997 25.730 -30.341 1.00 14.31 O ATOM 950 CB THR A 64 -4.209 25.170 -33.561 1.00 63.32 C ATOM 951 OG1 THR A 64 -4.577 25.861 -34.760 1.00 2.42 O ATOM 952 CG2 THR A 64 -4.213 23.670 -33.814 1.00 23.42 C ATOM 0 H THR A 64 -4.685 27.534 -32.824 1.00 63.50 H new ATOM 0 HA THR A 64 -6.149 25.079 -32.619 1.00 42.22 H new ATOM 0 HB THR A 64 -3.205 25.470 -33.263 1.00 63.32 H new ATOM 0 HG1 THR A 64 -3.954 25.624 -35.478 1.00 2.42 H new ATOM 0 HG21 THR A 64 -3.521 23.436 -34.623 1.00 23.42 H new ATOM 0 HG22 THR A 64 -3.904 23.147 -32.909 1.00 23.42 H new ATOM 0 HG23 THR A 64 -5.217 23.351 -34.092 1.00 23.42 H new ATOM 960 N LEU A 65 -4.864 23.717 -30.850 1.00 52.45 N ATOM 961 CA LEU A 65 -4.389 23.081 -29.627 1.00 11.24 C ATOM 962 C LEU A 65 -4.056 21.613 -29.870 1.00 62.23 C ATOM 963 O LEU A 65 -4.900 20.840 -30.325 1.00 31.23 O ATOM 964 CB LEU A 65 -5.443 23.201 -28.524 1.00 61.42 C ATOM 965 CG LEU A 65 -5.517 24.551 -27.810 1.00 22.42 C ATOM 966 CD1 LEU A 65 -6.732 25.336 -28.277 1.00 75.21 C ATOM 967 CD2 LEU A 65 -5.554 24.354 -26.301 1.00 41.33 C ATOM 0 H LEU A 65 -5.383 23.098 -31.473 1.00 52.45 H new ATOM 0 HA LEU A 65 -3.480 23.593 -29.310 1.00 11.24 H new ATOM 0 HB2 LEU A 65 -6.420 22.988 -28.958 1.00 61.42 H new ATOM 0 HB3 LEU A 65 -5.250 22.429 -27.779 1.00 61.42 H new ATOM 0 HG LEU A 65 -4.623 25.123 -28.060 1.00 22.42 H new ATOM 0 HD11 LEU A 65 -6.768 26.294 -27.758 1.00 75.21 H new ATOM 0 HD12 LEU A 65 -6.663 25.508 -29.351 1.00 75.21 H new ATOM 0 HD13 LEU A 65 -7.637 24.770 -28.057 1.00 75.21 H new ATOM 0 HD21 LEU A 65 -5.607 25.325 -25.808 1.00 41.33 H new ATOM 0 HD22 LEU A 65 -6.430 23.763 -26.033 1.00 41.33 H new ATOM 0 HD23 LEU A 65 -4.652 23.833 -25.980 1.00 41.33 H new ATOM 979 N THR A 66 -2.819 21.233 -29.563 1.00 73.02 N ATOM 980 CA THR A 66 -2.374 19.857 -29.748 1.00 13.55 C ATOM 981 C THR A 66 -2.023 19.210 -28.413 1.00 63.21 C ATOM 982 O THR A 66 -1.092 19.638 -27.730 1.00 2.15 O ATOM 983 CB THR A 66 -1.150 19.783 -30.680 1.00 12.24 C ATOM 984 OG1 THR A 66 -0.555 21.079 -30.811 1.00 21.14 O ATOM 985 CG2 THR A 66 -1.546 19.260 -32.052 1.00 50.31 C ATOM 0 H THR A 66 -2.108 21.859 -29.185 1.00 73.02 H new ATOM 0 HA THR A 66 -3.202 19.315 -30.205 1.00 13.55 H new ATOM 0 HB THR A 66 -0.427 19.095 -30.241 1.00 12.24 H new ATOM 0 HG1 THR A 66 0.223 21.023 -31.404 1.00 21.14 H new ATOM 0 HG21 THR A 66 -0.665 19.216 -32.693 1.00 50.31 H new ATOM 0 HG22 THR A 66 -1.972 18.262 -31.952 1.00 50.31 H new ATOM 0 HG23 THR A 66 -2.285 19.927 -32.496 1.00 50.31 H new ATOM 993 N LEU A 67 -2.772 18.175 -28.047 1.00 43.54 N ATOM 994 CA LEU A 67 -2.538 17.467 -26.794 1.00 14.24 C ATOM 995 C LEU A 67 -1.696 16.216 -27.023 1.00 52.43 C ATOM 996 O LEU A 67 -1.997 15.405 -27.900 1.00 3.13 O ATOM 997 CB LEU A 67 -3.870 17.087 -26.144 1.00 73.03 C ATOM 998 CG LEU A 67 -4.007 15.632 -25.696 1.00 20.42 C ATOM 999 CD1 LEU A 67 -3.100 15.352 -24.508 1.00 22.42 C ATOM 1000 CD2 LEU A 67 -5.455 15.314 -25.350 1.00 65.34 C ATOM 0 H LEU A 67 -3.546 17.808 -28.600 1.00 43.54 H new ATOM 0 HA LEU A 67 -1.991 18.133 -26.126 1.00 14.24 H new ATOM 0 HB2 LEU A 67 -4.025 17.729 -25.277 1.00 73.03 H new ATOM 0 HB3 LEU A 67 -4.671 17.306 -26.850 1.00 73.03 H new ATOM 0 HG LEU A 67 -3.701 14.988 -26.521 1.00 20.42 H new ATOM 0 HD11 LEU A 67 -3.211 14.311 -24.203 1.00 22.42 H new ATOM 0 HD12 LEU A 67 -2.064 15.539 -24.789 1.00 22.42 H new ATOM 0 HD13 LEU A 67 -3.374 16.004 -23.679 1.00 22.42 H new ATOM 0 HD21 LEU A 67 -5.533 14.274 -25.033 1.00 65.34 H new ATOM 0 HD22 LEU A 67 -5.788 15.966 -24.542 1.00 65.34 H new ATOM 0 HD23 LEU A 67 -6.082 15.474 -26.227 1.00 65.34 H new ATOM 1012 N HIS A 68 -0.641 16.065 -26.229 1.00 12.42 N ATOM 1013 CA HIS A 68 0.243 14.911 -26.344 1.00 3.33 C ATOM 1014 C HIS A 68 0.333 14.161 -25.018 1.00 53.21 C ATOM 1015 O HIS A 68 0.697 14.736 -23.992 1.00 22.42 O ATOM 1016 CB HIS A 68 1.638 15.353 -26.788 1.00 10.31 C ATOM 1017 CG HIS A 68 1.760 15.555 -28.267 1.00 74.30 C ATOM 1018 ND1 HIS A 68 2.316 14.617 -29.111 1.00 73.21 N ATOM 1019 CD2 HIS A 68 1.391 16.594 -29.052 1.00 63.02 C ATOM 1020 CE1 HIS A 68 2.286 15.071 -30.351 1.00 52.12 C ATOM 1021 NE2 HIS A 68 1.729 16.269 -30.343 1.00 22.11 N ATOM 0 H HIS A 68 -0.378 16.727 -25.499 1.00 12.42 H new ATOM 0 HA HIS A 68 -0.174 14.239 -27.094 1.00 3.33 H new ATOM 0 HB2 HIS A 68 1.894 16.283 -26.280 1.00 10.31 H new ATOM 0 HB3 HIS A 68 2.365 14.606 -26.470 1.00 10.31 H new ATOM 0 HD2 HIS A 68 0.919 17.508 -28.724 1.00 63.02 H new ATOM 0 HE1 HIS A 68 2.654 14.551 -31.223 1.00 52.12 H new ATOM 0 HE2 HIS A 68 1.575 16.857 -31.162 1.00 22.11 H new ATOM 1029 N TYR A 69 -0.003 12.876 -25.047 1.00 41.33 N ATOM 1030 CA TYR A 69 0.036 12.049 -23.848 1.00 23.44 C ATOM 1031 C TYR A 69 0.573 10.656 -24.164 1.00 2.02 C ATOM 1032 O TYR A 69 -0.036 9.903 -24.923 1.00 23.42 O ATOM 1033 CB TYR A 69 -1.359 11.941 -23.231 1.00 12.53 C ATOM 1034 CG TYR A 69 -1.367 11.314 -21.855 1.00 64.00 C ATOM 1035 CD1 TYR A 69 -0.384 11.625 -20.923 1.00 60.11 C ATOM 1036 CD2 TYR A 69 -2.355 10.410 -21.487 1.00 72.35 C ATOM 1037 CE1 TYR A 69 -0.386 11.054 -19.665 1.00 71.32 C ATOM 1038 CE2 TYR A 69 -2.366 9.835 -20.231 1.00 71.25 C ATOM 1039 CZ TYR A 69 -1.379 10.160 -19.324 1.00 75.30 C ATOM 1040 OH TYR A 69 -1.386 9.588 -18.072 1.00 71.03 O ATOM 0 H TYR A 69 -0.305 12.385 -25.888 1.00 41.33 H new ATOM 0 HA TYR A 69 0.707 12.524 -23.132 1.00 23.44 H new ATOM 0 HB2 TYR A 69 -1.798 12.937 -23.170 1.00 12.53 H new ATOM 0 HB3 TYR A 69 -1.995 11.353 -23.893 1.00 12.53 H new ATOM 0 HD1 TYR A 69 0.395 12.325 -21.187 1.00 60.11 H new ATOM 0 HD2 TYR A 69 -3.128 10.152 -22.195 1.00 72.35 H new ATOM 0 HE1 TYR A 69 0.386 11.306 -18.953 1.00 71.32 H new ATOM 0 HE2 TYR A 69 -3.143 9.135 -19.961 1.00 71.25 H new ATOM 0 HH TYR A 69 -2.153 8.983 -17.993 1.00 71.03 H new ATOM 1050 N GLN A 70 1.717 10.322 -23.575 1.00 41.31 N ATOM 1051 CA GLN A 70 2.337 9.021 -23.794 1.00 33.44 C ATOM 1052 C GLN A 70 2.764 8.858 -25.249 1.00 10.44 C ATOM 1053 O GLN A 70 3.921 9.090 -25.596 1.00 2.22 O ATOM 1054 CB GLN A 70 1.370 7.900 -23.406 1.00 11.43 C ATOM 1055 CG GLN A 70 1.648 7.305 -22.035 1.00 74.40 C ATOM 1056 CD GLN A 70 2.301 5.939 -22.114 1.00 32.22 C ATOM 1057 OE1 GLN A 70 1.620 4.916 -22.188 1.00 71.44 O ATOM 1058 NE2 GLN A 70 3.628 5.915 -22.098 1.00 4.51 N ATOM 0 H GLN A 70 2.233 10.934 -22.943 1.00 41.31 H new ATOM 0 HA GLN A 70 3.225 8.960 -23.165 1.00 33.44 H new ATOM 0 HB2 GLN A 70 0.351 8.287 -23.425 1.00 11.43 H new ATOM 0 HB3 GLN A 70 1.425 7.109 -24.154 1.00 11.43 H new ATOM 0 HG2 GLN A 70 2.294 7.980 -21.474 1.00 74.40 H new ATOM 0 HG3 GLN A 70 0.713 7.225 -21.481 1.00 74.40 H new ATOM 0 HE21 GLN A 70 4.153 6.787 -22.036 1.00 4.51 H new ATOM 0 HE22 GLN A 70 4.123 5.024 -22.148 1.00 4.51 H new ATOM 1067 N GLY A 71 1.821 8.458 -26.096 1.00 70.03 N ATOM 1068 CA GLY A 71 2.120 8.271 -27.504 1.00 52.11 C ATOM 1069 C GLY A 71 0.954 8.642 -28.399 1.00 34.05 C ATOM 1070 O GLY A 71 0.957 8.341 -29.593 1.00 5.42 O ATOM 0 H GLY A 71 0.856 8.260 -25.833 1.00 70.03 H new ATOM 0 HA2 GLY A 71 2.986 8.876 -27.772 1.00 52.11 H new ATOM 0 HA3 GLY A 71 2.392 7.230 -27.679 1.00 52.11 H new ATOM 1074 N HIS A 72 -0.049 9.296 -27.820 1.00 71.34 N ATOM 1075 CA HIS A 72 -1.229 9.707 -28.574 1.00 4.25 C ATOM 1076 C HIS A 72 -1.281 11.225 -28.715 1.00 5.51 C ATOM 1077 O HIS A 72 -0.992 11.956 -27.768 1.00 23.02 O ATOM 1078 CB HIS A 72 -2.499 9.203 -27.888 1.00 1.42 C ATOM 1079 CG HIS A 72 -3.036 7.937 -28.479 1.00 34.41 C ATOM 1080 ND1 HIS A 72 -2.296 6.777 -28.575 1.00 0.34 N ATOM 1081 CD2 HIS A 72 -4.250 7.650 -29.005 1.00 53.40 C ATOM 1082 CE1 HIS A 72 -3.030 5.833 -29.136 1.00 15.44 C ATOM 1083 NE2 HIS A 72 -4.221 6.337 -29.406 1.00 50.41 N ATOM 0 H HIS A 72 -0.068 9.552 -26.833 1.00 71.34 H new ATOM 0 HA HIS A 72 -1.165 9.269 -29.570 1.00 4.25 H new ATOM 0 HB2 HIS A 72 -2.291 9.041 -26.830 1.00 1.42 H new ATOM 0 HB3 HIS A 72 -3.265 9.976 -27.947 1.00 1.42 H new ATOM 0 HD2 HIS A 72 -5.086 8.328 -29.093 1.00 53.40 H new ATOM 0 HE1 HIS A 72 -2.711 4.821 -29.339 1.00 15.44 H new ATOM 0 HE2 HIS A 72 -4.993 5.833 -29.841 1.00 50.41 H new ATOM 1091 N GLU A 73 -1.650 11.692 -29.904 1.00 2.13 N ATOM 1092 CA GLU A 73 -1.737 13.123 -30.168 1.00 54.41 C ATOM 1093 C GLU A 73 -3.101 13.487 -30.748 1.00 51.04 C ATOM 1094 O GLU A 73 -3.613 12.804 -31.636 1.00 20.15 O ATOM 1095 CB GLU A 73 -0.630 13.556 -31.131 1.00 25.50 C ATOM 1096 CG GLU A 73 -0.758 12.949 -32.518 1.00 53.43 C ATOM 1097 CD GLU A 73 0.535 13.017 -33.307 1.00 1.40 C ATOM 1098 OE1 GLU A 73 1.060 14.136 -33.489 1.00 23.14 O ATOM 1099 OE2 GLU A 73 1.022 11.953 -33.742 1.00 53.25 O ATOM 0 H GLU A 73 -1.893 11.101 -30.699 1.00 2.13 H new ATOM 0 HA GLU A 73 -1.611 13.649 -29.222 1.00 54.41 H new ATOM 0 HB2 GLU A 73 -0.639 14.643 -31.217 1.00 25.50 H new ATOM 0 HB3 GLU A 73 0.336 13.278 -30.710 1.00 25.50 H new ATOM 0 HG2 GLU A 73 -1.070 11.908 -32.428 1.00 53.43 H new ATOM 0 HG3 GLU A 73 -1.542 13.470 -33.067 1.00 53.43 H new ATOM 1106 N VAL A 74 -3.685 14.568 -30.240 1.00 61.23 N ATOM 1107 CA VAL A 74 -4.989 15.024 -30.707 1.00 63.55 C ATOM 1108 C VAL A 74 -4.958 16.506 -31.061 1.00 53.22 C ATOM 1109 O VAL A 74 -4.185 17.275 -30.491 1.00 5.21 O ATOM 1110 CB VAL A 74 -6.080 14.782 -29.648 1.00 73.01 C ATOM 1111 CG1 VAL A 74 -6.052 13.338 -29.172 1.00 32.31 C ATOM 1112 CG2 VAL A 74 -5.909 15.741 -28.479 1.00 75.25 C ATOM 0 H VAL A 74 -3.275 15.144 -29.505 1.00 61.23 H new ATOM 0 HA VAL A 74 -5.226 14.446 -31.600 1.00 63.55 H new ATOM 0 HB VAL A 74 -7.052 14.970 -30.104 1.00 73.01 H new ATOM 0 HG11 VAL A 74 -6.830 13.186 -28.424 1.00 32.31 H new ATOM 0 HG12 VAL A 74 -6.227 12.673 -30.018 1.00 32.31 H new ATOM 0 HG13 VAL A 74 -5.079 13.118 -28.733 1.00 32.31 H new ATOM 0 HG21 VAL A 74 -6.688 15.556 -27.740 1.00 75.25 H new ATOM 0 HG22 VAL A 74 -4.932 15.587 -28.022 1.00 75.25 H new ATOM 0 HG23 VAL A 74 -5.984 16.768 -28.837 1.00 75.25 H new ATOM 1122 N SER A 75 -5.806 16.901 -32.006 1.00 0.13 N ATOM 1123 CA SER A 75 -5.874 18.292 -32.438 1.00 74.15 C ATOM 1124 C SER A 75 -7.280 18.852 -32.247 1.00 15.03 C ATOM 1125 O SER A 75 -8.273 18.184 -32.539 1.00 45.01 O ATOM 1126 CB SER A 75 -5.461 18.412 -33.907 1.00 10.24 C ATOM 1127 OG SER A 75 -5.021 19.725 -34.207 1.00 11.55 O ATOM 0 H SER A 75 -6.455 16.278 -32.486 1.00 0.13 H new ATOM 0 HA SER A 75 -5.184 18.872 -31.825 1.00 74.15 H new ATOM 0 HB2 SER A 75 -4.665 17.700 -34.124 1.00 10.24 H new ATOM 0 HB3 SER A 75 -6.304 18.152 -34.547 1.00 10.24 H new ATOM 0 HG SER A 75 -4.761 19.775 -35.151 1.00 11.55 H new ATOM 1133 N PHE A 76 -7.358 20.083 -31.753 1.00 42.51 N ATOM 1134 CA PHE A 76 -8.642 20.735 -31.521 1.00 23.33 C ATOM 1135 C PHE A 76 -8.504 22.252 -31.601 1.00 11.31 C ATOM 1136 O PHE A 76 -7.395 22.783 -31.662 1.00 12.53 O ATOM 1137 CB PHE A 76 -9.201 20.334 -30.154 1.00 60.41 C ATOM 1138 CG PHE A 76 -10.696 20.443 -30.063 1.00 32.41 C ATOM 1139 CD1 PHE A 76 -11.511 19.509 -30.682 1.00 72.41 C ATOM 1140 CD2 PHE A 76 -11.287 21.479 -29.358 1.00 22.44 C ATOM 1141 CE1 PHE A 76 -12.887 19.607 -30.600 1.00 53.24 C ATOM 1142 CE2 PHE A 76 -12.663 21.582 -29.272 1.00 45.20 C ATOM 1143 CZ PHE A 76 -13.464 20.644 -29.893 1.00 43.44 C ATOM 0 H PHE A 76 -6.547 20.650 -31.505 1.00 42.51 H new ATOM 0 HA PHE A 76 -9.333 20.409 -32.299 1.00 23.33 H new ATOM 0 HB2 PHE A 76 -8.906 19.308 -29.936 1.00 60.41 H new ATOM 0 HB3 PHE A 76 -8.751 20.965 -29.387 1.00 60.41 H new ATOM 0 HD1 PHE A 76 -11.066 18.695 -31.235 1.00 72.41 H new ATOM 0 HD2 PHE A 76 -10.665 22.215 -28.870 1.00 22.44 H new ATOM 0 HE1 PHE A 76 -13.511 18.873 -31.088 1.00 53.24 H new ATOM 0 HE2 PHE A 76 -13.111 22.395 -28.720 1.00 45.20 H new ATOM 0 HZ PHE A 76 -14.539 20.721 -29.826 1.00 43.44 H new ATOM 1153 N ASP A 77 -9.638 22.944 -31.601 1.00 74.32 N ATOM 1154 CA ASP A 77 -9.646 24.400 -31.673 1.00 40.25 C ATOM 1155 C ASP A 77 -10.367 25.000 -30.470 1.00 42.33 C ATOM 1156 O ASP A 77 -11.293 24.400 -29.925 1.00 72.25 O ATOM 1157 CB ASP A 77 -10.315 24.864 -32.968 1.00 51.42 C ATOM 1158 CG ASP A 77 -11.519 24.019 -33.333 1.00 72.40 C ATOM 1159 OD1 ASP A 77 -12.423 23.877 -32.484 1.00 34.23 O ATOM 1160 OD2 ASP A 77 -11.557 23.498 -34.468 1.00 31.23 O ATOM 0 H ASP A 77 -10.564 22.519 -31.552 1.00 74.32 H new ATOM 0 HA ASP A 77 -8.612 24.745 -31.663 1.00 40.25 H new ATOM 0 HB2 ASP A 77 -10.624 25.904 -32.862 1.00 51.42 H new ATOM 0 HB3 ASP A 77 -9.590 24.828 -33.781 1.00 51.42 H new ATOM 1165 N VAL A 78 -9.935 26.188 -30.060 1.00 5.41 N ATOM 1166 CA VAL A 78 -10.538 26.870 -28.921 1.00 53.12 C ATOM 1167 C VAL A 78 -11.144 28.206 -29.338 1.00 65.21 C ATOM 1168 O VAL A 78 -10.572 28.932 -30.153 1.00 31.41 O ATOM 1169 CB VAL A 78 -9.509 27.113 -27.802 1.00 25.42 C ATOM 1170 CG1 VAL A 78 -8.401 28.036 -28.286 1.00 24.41 C ATOM 1171 CG2 VAL A 78 -10.189 27.685 -26.567 1.00 60.34 C ATOM 0 H VAL A 78 -9.169 26.698 -30.500 1.00 5.41 H new ATOM 0 HA VAL A 78 -11.326 26.218 -28.544 1.00 53.12 H new ATOM 0 HB VAL A 78 -9.061 26.157 -27.532 1.00 25.42 H new ATOM 0 HG11 VAL A 78 -7.683 28.196 -27.481 1.00 24.41 H new ATOM 0 HG12 VAL A 78 -7.895 27.582 -29.138 1.00 24.41 H new ATOM 0 HG13 VAL A 78 -8.829 28.992 -28.586 1.00 24.41 H new ATOM 0 HG21 VAL A 78 -9.446 27.850 -25.786 1.00 60.34 H new ATOM 0 HG22 VAL A 78 -10.666 28.632 -26.820 1.00 60.34 H new ATOM 0 HG23 VAL A 78 -10.942 26.983 -26.208 1.00 60.34 H new ATOM 1181 N LEU A 79 -12.303 28.525 -28.774 1.00 51.11 N ATOM 1182 CA LEU A 79 -12.987 29.775 -29.086 1.00 52.24 C ATOM 1183 C LEU A 79 -13.537 30.426 -27.821 1.00 43.11 C ATOM 1184 O LEU A 79 -14.314 29.818 -27.085 1.00 11.30 O ATOM 1185 CB LEU A 79 -14.124 29.523 -30.079 1.00 3.31 C ATOM 1186 CG LEU A 79 -14.386 30.635 -31.095 1.00 51.40 C ATOM 1187 CD1 LEU A 79 -14.699 31.944 -30.386 1.00 21.34 C ATOM 1188 CD2 LEU A 79 -13.192 30.802 -32.023 1.00 51.25 C ATOM 0 H LEU A 79 -12.789 27.936 -28.098 1.00 51.11 H new ATOM 0 HA LEU A 79 -12.263 30.454 -29.536 1.00 52.24 H new ATOM 0 HB2 LEU A 79 -13.907 28.604 -30.624 1.00 3.31 H new ATOM 0 HB3 LEU A 79 -15.041 29.350 -29.515 1.00 3.31 H new ATOM 0 HG LEU A 79 -15.251 30.355 -31.695 1.00 51.40 H new ATOM 0 HD11 LEU A 79 -14.883 32.723 -31.125 1.00 21.34 H new ATOM 0 HD12 LEU A 79 -15.585 31.818 -29.764 1.00 21.34 H new ATOM 0 HD13 LEU A 79 -13.854 32.230 -29.760 1.00 21.34 H new ATOM 0 HD21 LEU A 79 -13.396 31.598 -32.739 1.00 51.25 H new ATOM 0 HD22 LEU A 79 -12.309 31.059 -31.437 1.00 51.25 H new ATOM 0 HD23 LEU A 79 -13.014 29.869 -32.558 1.00 51.25 H new ATOM 1200 N VAL A 80 -13.129 31.667 -27.575 1.00 41.12 N ATOM 1201 CA VAL A 80 -13.583 32.402 -26.401 1.00 2.42 C ATOM 1202 C VAL A 80 -14.745 33.327 -26.746 1.00 63.14 C ATOM 1203 O VAL A 80 -14.722 34.014 -27.767 1.00 73.14 O ATOM 1204 CB VAL A 80 -12.443 33.236 -25.786 1.00 11.24 C ATOM 1205 CG1 VAL A 80 -12.044 34.367 -26.721 1.00 10.41 C ATOM 1206 CG2 VAL A 80 -12.855 33.778 -24.425 1.00 43.21 C ATOM 0 H VAL A 80 -12.485 32.184 -28.173 1.00 41.12 H new ATOM 0 HA VAL A 80 -13.916 31.662 -25.674 1.00 2.42 H new ATOM 0 HB VAL A 80 -11.577 32.589 -25.647 1.00 11.24 H new ATOM 0 HG11 VAL A 80 -11.238 34.945 -26.270 1.00 10.41 H new ATOM 0 HG12 VAL A 80 -11.706 33.952 -27.670 1.00 10.41 H new ATOM 0 HG13 VAL A 80 -12.903 35.016 -26.894 1.00 10.41 H new ATOM 0 HG21 VAL A 80 -12.038 34.365 -24.005 1.00 43.21 H new ATOM 0 HG22 VAL A 80 -13.736 34.410 -24.537 1.00 43.21 H new ATOM 0 HG23 VAL A 80 -13.086 32.948 -23.758 1.00 43.21 H new ATOM 1216 N SER A 81 -15.760 33.339 -25.888 1.00 5.11 N ATOM 1217 CA SER A 81 -16.933 34.177 -26.104 1.00 12.12 C ATOM 1218 C SER A 81 -16.747 35.549 -25.462 1.00 63.24 C ATOM 1219 O SER A 81 -15.911 35.741 -24.579 1.00 44.13 O ATOM 1220 CB SER A 81 -18.181 33.500 -25.533 1.00 51.35 C ATOM 1221 OG SER A 81 -18.960 32.915 -26.563 1.00 4.40 O ATOM 0 H SER A 81 -15.793 32.778 -25.037 1.00 5.11 H new ATOM 0 HA SER A 81 -17.060 34.312 -27.178 1.00 12.12 H new ATOM 0 HB2 SER A 81 -17.887 32.734 -24.815 1.00 51.35 H new ATOM 0 HB3 SER A 81 -18.780 34.232 -24.991 1.00 51.35 H new ATOM 0 HG SER A 81 -19.751 32.487 -26.172 1.00 4.40 H new ATOM 1227 N PRO A 82 -17.544 36.527 -25.917 1.00 34.23 N ATOM 1228 CA PRO A 82 -17.487 37.898 -25.402 1.00 14.13 C ATOM 1229 C PRO A 82 -18.009 38.003 -23.973 1.00 21.34 C ATOM 1230 O PRO A 82 -17.843 39.030 -23.314 1.00 35.43 O ATOM 1231 CB PRO A 82 -18.394 38.675 -26.360 1.00 20.32 C ATOM 1232 CG PRO A 82 -19.339 37.656 -26.897 1.00 64.22 C ATOM 1233 CD PRO A 82 -18.564 36.369 -26.968 1.00 3.14 C ATOM 0 HA PRO A 82 -16.465 38.275 -25.360 1.00 14.13 H new ATOM 0 HB2 PRO A 82 -18.925 39.474 -25.842 1.00 20.32 H new ATOM 0 HB3 PRO A 82 -17.818 39.141 -27.160 1.00 20.32 H new ATOM 0 HG2 PRO A 82 -20.210 37.552 -26.250 1.00 64.22 H new ATOM 0 HG3 PRO A 82 -19.706 37.945 -27.882 1.00 64.22 H new ATOM 0 HD2 PRO A 82 -19.202 35.505 -26.782 1.00 3.14 H new ATOM 0 HD3 PRO A 82 -18.111 36.226 -27.949 1.00 3.14 H new ATOM 1241 N LYS A 83 -18.639 36.934 -23.498 1.00 32.31 N ATOM 1242 CA LYS A 83 -19.184 36.904 -22.146 1.00 21.42 C ATOM 1243 C LYS A 83 -20.293 37.938 -21.983 1.00 2.32 C ATOM 1244 O LYS A 83 -20.375 38.900 -22.747 1.00 24.44 O ATOM 1245 CB LYS A 83 -18.076 37.162 -21.122 1.00 33.12 C ATOM 1246 CG LYS A 83 -18.490 36.866 -19.691 1.00 21.53 C ATOM 1247 CD LYS A 83 -18.894 38.131 -18.954 1.00 11.35 C ATOM 1248 CE LYS A 83 -17.696 38.802 -18.299 1.00 70.20 C ATOM 1249 NZ LYS A 83 -17.930 40.255 -18.070 1.00 61.44 N ATOM 0 H LYS A 83 -18.785 36.076 -24.030 1.00 32.31 H new ATOM 0 HA LYS A 83 -19.607 35.914 -21.973 1.00 21.42 H new ATOM 0 HB2 LYS A 83 -17.210 36.551 -21.375 1.00 33.12 H new ATOM 0 HB3 LYS A 83 -17.763 38.204 -21.193 1.00 33.12 H new ATOM 0 HG2 LYS A 83 -19.322 36.162 -19.690 1.00 21.53 H new ATOM 0 HG3 LYS A 83 -17.665 36.385 -19.165 1.00 21.53 H new ATOM 0 HD2 LYS A 83 -19.365 38.825 -19.651 1.00 11.35 H new ATOM 0 HD3 LYS A 83 -19.637 37.889 -18.194 1.00 11.35 H new ATOM 0 HE2 LYS A 83 -17.482 38.314 -17.348 1.00 70.20 H new ATOM 0 HE3 LYS A 83 -16.817 38.671 -18.930 1.00 70.20 H new ATOM 0 HZ1 LYS A 83 -17.091 40.675 -17.622 1.00 61.44 H new ATOM 0 HZ2 LYS A 83 -18.109 40.725 -18.980 1.00 61.44 H new ATOM 0 HZ3 LYS A 83 -18.754 40.380 -17.447 1.00 61.44 H new ATOM 1263 N ALA A 84 -21.143 37.735 -20.982 1.00 10.03 N ATOM 1264 CA ALA A 84 -22.244 38.652 -20.717 1.00 14.32 C ATOM 1265 C ALA A 84 -22.538 38.740 -19.223 1.00 55.21 C ATOM 1266 O ALA A 84 -21.912 38.054 -18.416 1.00 73.33 O ATOM 1267 CB ALA A 84 -23.488 38.217 -21.477 1.00 35.21 C ATOM 0 H ALA A 84 -21.090 36.943 -20.341 1.00 10.03 H new ATOM 0 HA ALA A 84 -21.949 39.643 -21.062 1.00 14.32 H new ATOM 0 HB1 ALA A 84 -24.302 38.911 -21.270 1.00 35.21 H new ATOM 0 HB2 ALA A 84 -23.278 38.213 -22.547 1.00 35.21 H new ATOM 0 HB3 ALA A 84 -23.776 37.215 -21.160 1.00 35.21 H new ATOM 1273 N ALA A 85 -23.495 39.590 -18.862 1.00 25.21 N ATOM 1274 CA ALA A 85 -23.872 39.766 -17.465 1.00 50.11 C ATOM 1275 C ALA A 85 -24.266 38.436 -16.831 1.00 5.42 C ATOM 1276 O ALA A 85 -24.736 37.526 -17.514 1.00 61.20 O ATOM 1277 CB ALA A 85 -25.012 40.767 -17.349 1.00 35.51 C ATOM 0 H ALA A 85 -24.022 40.167 -19.517 1.00 25.21 H new ATOM 0 HA ALA A 85 -23.007 40.153 -16.926 1.00 50.11 H new ATOM 0 HB1 ALA A 85 -25.284 40.889 -16.300 1.00 35.51 H new ATOM 0 HB2 ALA A 85 -24.696 41.727 -17.756 1.00 35.51 H new ATOM 0 HB3 ALA A 85 -25.874 40.403 -17.907 1.00 35.51 H new ATOM 1283 N LEU A 86 -24.070 38.330 -15.521 1.00 42.31 N ATOM 1284 CA LEU A 86 -24.404 37.111 -14.794 1.00 21.40 C ATOM 1285 C LEU A 86 -25.405 37.398 -13.680 1.00 21.15 C ATOM 1286 O LEU A 86 -25.705 38.554 -13.384 1.00 72.25 O ATOM 1287 CB LEU A 86 -23.139 36.480 -14.209 1.00 32.41 C ATOM 1288 CG LEU A 86 -23.039 34.957 -14.313 1.00 3.30 C ATOM 1289 CD1 LEU A 86 -22.915 34.529 -15.767 1.00 33.31 C ATOM 1290 CD2 LEU A 86 -21.858 34.444 -13.502 1.00 10.13 C ATOM 0 H LEU A 86 -23.681 39.074 -14.941 1.00 42.31 H new ATOM 0 HA LEU A 86 -24.860 36.412 -15.495 1.00 21.40 H new ATOM 0 HB2 LEU A 86 -22.275 36.916 -14.710 1.00 32.41 H new ATOM 0 HB3 LEU A 86 -23.072 36.758 -13.157 1.00 32.41 H new ATOM 0 HG LEU A 86 -23.951 34.523 -13.904 1.00 3.30 H new ATOM 0 HD11 LEU A 86 -22.845 33.443 -15.822 1.00 33.31 H new ATOM 0 HD12 LEU A 86 -23.792 34.865 -16.321 1.00 33.31 H new ATOM 0 HD13 LEU A 86 -22.019 34.973 -16.202 1.00 33.31 H new ATOM 0 HD21 LEU A 86 -21.802 33.359 -13.587 1.00 10.13 H new ATOM 0 HD22 LEU A 86 -20.937 34.886 -13.881 1.00 10.13 H new ATOM 0 HD23 LEU A 86 -21.988 34.719 -12.455 1.00 10.13 H new ATOM 1302 N ASN A 87 -25.916 36.337 -13.063 1.00 14.53 N ATOM 1303 CA ASN A 87 -26.883 36.476 -11.979 1.00 64.10 C ATOM 1304 C ASN A 87 -26.185 36.456 -10.622 1.00 70.43 C ATOM 1305 O ASN A 87 -25.218 35.721 -10.421 1.00 31.41 O ATOM 1306 CB ASN A 87 -27.921 35.355 -12.048 1.00 34.33 C ATOM 1307 CG ASN A 87 -28.785 35.442 -13.292 1.00 24.34 C ATOM 1308 OD1 ASN A 87 -28.278 35.431 -14.414 1.00 15.32 O ATOM 1309 ND2 ASN A 87 -30.095 35.528 -13.097 1.00 53.31 N ATOM 0 H ASN A 87 -25.677 35.373 -13.295 1.00 14.53 H new ATOM 0 HA ASN A 87 -27.386 37.436 -12.094 1.00 64.10 H new ATOM 0 HB2 ASN A 87 -27.412 34.391 -12.029 1.00 34.33 H new ATOM 0 HB3 ASN A 87 -28.557 35.397 -11.164 1.00 34.33 H new ATOM 0 HD21 ASN A 87 -30.727 35.588 -13.896 1.00 53.31 H new ATOM 0 HD22 ASN A 87 -30.470 35.534 -12.149 1.00 53.31 H new ATOM 1316 N ASP A 88 -26.682 37.267 -9.695 1.00 74.15 N ATOM 1317 CA ASP A 88 -26.109 37.341 -8.357 1.00 4.31 C ATOM 1318 C ASP A 88 -26.397 36.066 -7.570 1.00 44.35 C ATOM 1319 O ASP A 88 -27.014 35.135 -8.086 1.00 22.34 O ATOM 1320 CB ASP A 88 -26.664 38.554 -7.608 1.00 25.24 C ATOM 1321 CG ASP A 88 -26.436 39.852 -8.358 1.00 35.53 C ATOM 1322 OD1 ASP A 88 -27.230 40.155 -9.273 1.00 73.11 O ATOM 1323 OD2 ASP A 88 -25.466 40.564 -8.029 1.00 5.32 O ATOM 0 H ASP A 88 -27.481 37.883 -9.846 1.00 74.15 H new ATOM 0 HA ASP A 88 -25.029 37.448 -8.457 1.00 4.31 H new ATOM 0 HB2 ASP A 88 -27.732 38.417 -7.442 1.00 25.24 H new ATOM 0 HB3 ASP A 88 -26.194 38.618 -6.627 1.00 25.24 H new ATOM 1328 N GLU A 89 -25.944 36.033 -6.321 1.00 31.31 N ATOM 1329 CA GLU A 89 -26.152 34.871 -5.465 1.00 31.32 C ATOM 1330 C GLU A 89 -25.548 33.618 -6.092 1.00 73.44 C ATOM 1331 O GLU A 89 -24.370 33.321 -5.899 1.00 43.32 O ATOM 1332 CB GLU A 89 -27.646 34.658 -5.210 1.00 62.23 C ATOM 1333 CG GLU A 89 -27.979 34.359 -3.758 1.00 73.03 C ATOM 1334 CD GLU A 89 -27.894 32.880 -3.433 1.00 14.43 C ATOM 1335 OE1 GLU A 89 -28.793 32.127 -3.862 1.00 20.41 O ATOM 1336 OE2 GLU A 89 -26.931 32.477 -2.749 1.00 4.21 O ATOM 0 H GLU A 89 -25.431 36.796 -5.880 1.00 31.31 H new ATOM 0 HA GLU A 89 -25.652 35.058 -4.515 1.00 31.32 H new ATOM 0 HB2 GLU A 89 -28.190 35.549 -5.523 1.00 62.23 H new ATOM 0 HB3 GLU A 89 -27.998 33.835 -5.832 1.00 62.23 H new ATOM 0 HG2 GLU A 89 -27.295 34.909 -3.112 1.00 73.03 H new ATOM 0 HG3 GLU A 89 -28.984 34.718 -3.538 1.00 73.03 H new TER 1343 GLU A 89