USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 627 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -171:sc= -1.34 (180deg=-1.55) USER MOD Single : A 1 MET N :NH3+ 177:sc= 0.564 (180deg=0.37) USER MOD Single : A 2 GLN : amide:sc= -0.645 K(o=-0.64,f=-1.4!) USER MOD Single : A 7 THR OG1 : rot -60:sc= -0.43 USER MOD Single : A 9 THR OG1 : rot -66:sc= 1.13 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -103:sc= 0.0737 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0218 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0431) USER MOD Single : A 31 GLN : amide:sc= -0.917 K(o=-0.92,f=-2.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 41 GLN : amide:sc= -8.31! C(o=-8.3!,f=-14!) USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= -0.0468 (180deg=-0.332) USER MOD Single : A 49 GLN : amide:sc= 0.0178 K(o=0.018,f=-1.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0997 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= -1.4 USER MOD Single : A 60 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.6) USER MOD Single : A 62 GLN : amide:sc= -0.673 K(o=-0.67,f=-5.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -82:sc= -1.77 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0104 X(o=-0.01,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.565 -5.834 4.840 1.00 0.00 N ATOM 2 CA MET A 1 -12.510 -5.205 6.148 1.00 0.00 C ATOM 3 C MET A 1 -11.761 -3.873 6.086 1.00 0.00 C ATOM 4 O MET A 1 -11.421 -3.397 5.004 1.00 0.00 O ATOM 5 CB MET A 1 -11.807 -6.140 7.135 1.00 0.00 C ATOM 6 CG MET A 1 -10.354 -6.382 6.722 1.00 0.00 C ATOM 7 SD MET A 1 -9.605 -7.588 7.801 1.00 0.00 S ATOM 8 CE MET A 1 -10.115 -9.093 6.986 1.00 0.00 C ATOM 0 H1 MET A 1 -13.034 -6.759 4.919 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.102 -5.229 4.186 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.599 -5.965 4.477 1.00 0.00 H new ATOM 0 HA MET A 1 -13.530 -5.011 6.480 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.837 -5.708 8.135 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.338 -7.091 7.182 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.314 -6.731 5.690 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.795 -5.447 6.764 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.869 -9.949 7.615 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.191 -9.067 6.814 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.597 -9.183 6.031 1.00 0.00 H new ATOM 18 N GLN A 2 -11.526 -3.307 7.262 1.00 0.00 N ATOM 19 CA GLN A 2 -10.824 -2.038 7.353 1.00 0.00 C ATOM 20 C GLN A 2 -9.322 -2.274 7.532 1.00 0.00 C ATOM 21 O GLN A 2 -8.914 -3.276 8.117 1.00 0.00 O ATOM 22 CB GLN A 2 -11.384 -1.183 8.492 1.00 0.00 C ATOM 23 CG GLN A 2 -10.595 0.120 8.639 1.00 0.00 C ATOM 24 CD GLN A 2 -11.220 1.022 9.704 1.00 0.00 C ATOM 25 OE1 GLN A 2 -10.763 1.101 10.834 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.287 1.696 9.286 1.00 0.00 N ATOM 0 H GLN A 2 -11.809 -3.704 8.158 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.978 -1.492 6.422 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.433 -0.957 8.300 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.344 -1.744 9.426 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.563 -0.104 8.907 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.569 0.644 7.683 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.618 1.584 8.328 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.775 2.325 9.924 1.00 0.00 H new ATOM 35 N ILE A 3 -8.543 -1.334 7.017 1.00 0.00 N ATOM 36 CA ILE A 3 -7.095 -1.428 7.113 1.00 0.00 C ATOM 37 C ILE A 3 -6.520 -0.047 7.432 1.00 0.00 C ATOM 38 O ILE A 3 -7.182 0.969 7.223 1.00 0.00 O ATOM 39 CB ILE A 3 -6.514 -2.059 5.847 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.382 -1.022 4.729 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.340 -3.271 5.410 1.00 0.00 C ATOM 42 CD1 ILE A 3 -7.712 -0.306 4.486 1.00 0.00 C ATOM 0 H ILE A 3 -8.886 -0.505 6.533 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.809 -2.090 7.930 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.510 -2.418 6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.615 -0.293 4.993 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.055 -1.511 3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.906 -3.701 4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.339 -4.017 6.204 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.364 -2.959 5.206 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.591 0.425 3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.470 -1.035 4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.024 0.202 5.399 1.00 0.00 H new ATOM 54 N PHE A 4 -5.294 -0.053 7.934 1.00 0.00 N ATOM 55 CA PHE A 4 -4.622 1.186 8.284 1.00 0.00 C ATOM 56 C PHE A 4 -3.343 1.367 7.464 1.00 0.00 C ATOM 57 O PHE A 4 -2.304 0.798 7.795 1.00 0.00 O ATOM 58 CB PHE A 4 -4.255 1.093 9.766 1.00 0.00 C ATOM 59 CG PHE A 4 -5.441 1.277 10.715 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.540 0.487 10.589 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.396 2.232 11.682 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.642 0.658 11.469 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.497 2.404 12.561 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.597 1.613 12.436 1.00 0.00 C ATOM 0 H PHE A 4 -4.748 -0.897 8.107 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.276 2.034 8.079 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.798 0.122 9.956 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.502 1.849 9.991 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.575 -0.271 9.820 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.523 2.859 11.781 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.515 0.030 11.370 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.462 3.163 13.329 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.435 1.744 13.105 1.00 0.00 H new ATOM 74 N VAL A 5 -3.460 2.162 6.410 1.00 0.00 N ATOM 75 CA VAL A 5 -2.327 2.423 5.541 1.00 0.00 C ATOM 76 C VAL A 5 -1.526 3.604 6.094 1.00 0.00 C ATOM 77 O VAL A 5 -2.099 4.539 6.653 1.00 0.00 O ATOM 78 CB VAL A 5 -2.809 2.649 4.106 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.093 4.131 3.850 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.799 2.103 3.095 1.00 0.00 C ATOM 0 H VAL A 5 -4.323 2.634 6.139 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.660 1.561 5.515 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.742 2.101 3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.434 4.264 2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.865 4.477 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.182 4.709 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.166 2.277 2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.843 2.610 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.667 1.033 3.254 1.00 0.00 H new ATOM 90 N LYS A 6 -0.216 3.522 5.923 1.00 0.00 N ATOM 91 CA LYS A 6 0.669 4.572 6.399 1.00 0.00 C ATOM 92 C LYS A 6 1.319 5.267 5.201 1.00 0.00 C ATOM 93 O LYS A 6 1.588 4.634 4.182 1.00 0.00 O ATOM 94 CB LYS A 6 1.676 4.009 7.403 1.00 0.00 C ATOM 95 CG LYS A 6 1.409 4.550 8.810 1.00 0.00 C ATOM 96 CD LYS A 6 2.136 3.716 9.866 1.00 0.00 C ATOM 97 CE LYS A 6 1.682 4.099 11.275 1.00 0.00 C ATOM 98 NZ LYS A 6 0.553 3.245 11.706 1.00 0.00 N ATOM 0 H LYS A 6 0.255 2.744 5.461 1.00 0.00 H new ATOM 0 HA LYS A 6 0.104 5.331 6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.617 2.921 7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.688 4.271 7.095 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.737 5.588 8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.337 4.541 9.009 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.944 2.657 9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.212 3.864 9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.513 3.993 11.973 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.381 5.147 11.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.257 3.518 12.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.245 3.367 11.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.852 2.249 11.707 1.00 0.00 H new ATOM 112 N THR A 7 1.553 6.562 5.364 1.00 0.00 N ATOM 113 CA THR A 7 2.166 7.351 4.309 1.00 0.00 C ATOM 114 C THR A 7 3.657 7.547 4.589 1.00 0.00 C ATOM 115 O THR A 7 4.133 7.242 5.681 1.00 0.00 O ATOM 116 CB THR A 7 1.391 8.664 4.190 1.00 0.00 C ATOM 117 OG1 THR A 7 0.029 8.281 4.361 1.00 0.00 O ATOM 118 CG2 THR A 7 1.440 9.246 2.776 1.00 0.00 C ATOM 0 H THR A 7 1.329 7.084 6.211 1.00 0.00 H new ATOM 0 HA THR A 7 2.113 6.838 3.349 1.00 0.00 H new ATOM 0 HB THR A 7 1.796 9.389 4.896 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.222 7.643 3.661 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.875 10.177 2.746 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.476 9.441 2.499 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.005 8.534 2.074 1.00 0.00 H new ATOM 126 N LEU A 8 4.353 8.057 3.583 1.00 0.00 N ATOM 127 CA LEU A 8 5.780 8.299 3.707 1.00 0.00 C ATOM 128 C LEU A 8 6.022 9.356 4.786 1.00 0.00 C ATOM 129 O LEU A 8 7.153 9.544 5.233 1.00 0.00 O ATOM 130 CB LEU A 8 6.383 8.657 2.347 1.00 0.00 C ATOM 131 CG LEU A 8 7.902 8.522 2.229 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.335 7.063 2.392 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.407 9.128 0.919 1.00 0.00 C ATOM 0 H LEU A 8 3.955 8.309 2.678 1.00 0.00 H new ATOM 0 HA LEU A 8 6.294 7.393 4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.922 8.023 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.110 9.686 2.111 1.00 0.00 H new ATOM 0 HG LEU A 8 8.360 9.087 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.419 6.993 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.026 6.699 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.868 6.456 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.490 9.018 0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.945 8.612 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.147 10.186 0.883 1.00 0.00 H new ATOM 145 N THR A 9 4.943 10.019 5.173 1.00 0.00 N ATOM 146 CA THR A 9 5.023 11.053 6.190 1.00 0.00 C ATOM 147 C THR A 9 4.560 10.506 7.543 1.00 0.00 C ATOM 148 O THR A 9 4.053 11.254 8.377 1.00 0.00 O ATOM 149 CB THR A 9 4.209 12.254 5.709 1.00 0.00 C ATOM 150 OG1 THR A 9 4.209 13.143 6.824 1.00 0.00 O ATOM 151 CG2 THR A 9 2.731 11.916 5.502 1.00 0.00 C ATOM 0 H THR A 9 4.007 9.860 4.800 1.00 0.00 H new ATOM 0 HA THR A 9 6.052 11.381 6.342 1.00 0.00 H new ATOM 0 HB THR A 9 4.630 12.626 4.775 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.710 12.739 7.564 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.199 12.804 5.160 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.639 11.128 4.755 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.300 11.575 6.443 1.00 0.00 H new ATOM 159 N GLY A 10 4.751 9.207 7.716 1.00 0.00 N ATOM 160 CA GLY A 10 4.359 8.553 8.954 1.00 0.00 C ATOM 161 C GLY A 10 2.914 8.895 9.321 1.00 0.00 C ATOM 162 O GLY A 10 2.532 8.824 10.488 1.00 0.00 O ATOM 0 H GLY A 10 5.171 8.590 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.465 7.473 8.849 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.025 8.862 9.759 1.00 0.00 H new ATOM 166 N LYS A 11 2.149 9.261 8.303 1.00 0.00 N ATOM 167 CA LYS A 11 0.754 9.616 8.504 1.00 0.00 C ATOM 168 C LYS A 11 -0.092 8.341 8.535 1.00 0.00 C ATOM 169 O LYS A 11 0.214 7.371 7.843 1.00 0.00 O ATOM 170 CB LYS A 11 0.301 10.628 7.451 1.00 0.00 C ATOM 171 CG LYS A 11 -1.111 11.136 7.750 1.00 0.00 C ATOM 172 CD LYS A 11 -1.091 12.617 8.132 1.00 0.00 C ATOM 173 CE LYS A 11 -2.500 13.213 8.087 1.00 0.00 C ATOM 174 NZ LYS A 11 -2.459 14.662 8.389 1.00 0.00 N ATOM 0 H LYS A 11 2.469 9.319 7.336 1.00 0.00 H new ATOM 0 HA LYS A 11 0.622 10.111 9.466 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.996 11.468 7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.324 10.166 6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.746 10.991 6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.547 10.553 8.562 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.675 12.733 9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.439 13.163 7.451 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.938 13.053 7.102 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.140 12.703 8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.423 15.051 8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.061 14.808 9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.865 15.146 7.686 1.00 0.00 H new ATOM 188 N THR A 12 -1.138 8.383 9.348 1.00 0.00 N ATOM 189 CA THR A 12 -2.030 7.244 9.479 1.00 0.00 C ATOM 190 C THR A 12 -3.326 7.489 8.703 1.00 0.00 C ATOM 191 O THR A 12 -4.071 8.419 9.009 1.00 0.00 O ATOM 192 CB THR A 12 -2.254 6.989 10.971 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.980 6.563 11.445 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.168 5.789 11.229 1.00 0.00 C ATOM 0 H THR A 12 -1.387 9.188 9.922 1.00 0.00 H new ATOM 0 HA THR A 12 -1.592 6.346 9.043 1.00 0.00 H new ATOM 0 HB THR A 12 -2.684 7.879 11.431 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.034 6.377 12.406 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.294 5.652 12.303 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.140 5.967 10.769 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.722 4.892 10.799 1.00 0.00 H new ATOM 202 N ILE A 13 -3.557 6.638 7.714 1.00 0.00 N ATOM 203 CA ILE A 13 -4.750 6.749 6.893 1.00 0.00 C ATOM 204 C ILE A 13 -5.503 5.418 6.912 1.00 0.00 C ATOM 205 O ILE A 13 -4.983 4.401 6.458 1.00 0.00 O ATOM 206 CB ILE A 13 -4.388 7.232 5.487 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.839 8.660 5.522 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.582 7.100 4.539 1.00 0.00 C ATOM 209 CD1 ILE A 13 -3.131 9.007 4.210 1.00 0.00 C ATOM 0 H ILE A 13 -2.937 5.868 7.463 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.425 7.502 7.300 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.595 6.592 5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.654 9.363 5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.143 8.766 6.354 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.299 7.450 3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.888 6.055 4.482 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.411 7.701 4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.750 10.027 4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.302 8.318 4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.836 8.924 3.383 1.00 0.00 H new ATOM 221 N THR A 14 -6.716 5.469 7.442 1.00 0.00 N ATOM 222 CA THR A 14 -7.547 4.279 7.525 1.00 0.00 C ATOM 223 C THR A 14 -8.566 4.259 6.383 1.00 0.00 C ATOM 224 O THR A 14 -9.125 5.295 6.027 1.00 0.00 O ATOM 225 CB THR A 14 -8.190 4.249 8.913 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.156 4.696 9.785 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.489 2.825 9.389 1.00 0.00 C ATOM 0 H THR A 14 -7.144 6.315 7.818 1.00 0.00 H new ATOM 0 HA THR A 14 -6.954 3.373 7.405 1.00 0.00 H new ATOM 0 HB THR A 14 -9.113 4.828 8.898 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.769 3.928 10.255 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.944 2.860 10.379 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.175 2.344 8.691 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.561 2.255 9.437 1.00 0.00 H new ATOM 235 N LEU A 15 -8.775 3.068 5.842 1.00 0.00 N ATOM 236 CA LEU A 15 -9.716 2.899 4.748 1.00 0.00 C ATOM 237 C LEU A 15 -10.531 1.624 4.975 1.00 0.00 C ATOM 238 O LEU A 15 -9.982 0.591 5.355 1.00 0.00 O ATOM 239 CB LEU A 15 -8.986 2.931 3.404 1.00 0.00 C ATOM 240 CG LEU A 15 -9.686 3.695 2.278 1.00 0.00 C ATOM 241 CD1 LEU A 15 -11.104 3.166 2.057 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.670 5.201 2.545 1.00 0.00 C ATOM 0 H LEU A 15 -8.309 2.211 6.141 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.422 3.729 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.001 3.373 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.827 1.904 3.075 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.132 3.527 1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.580 3.726 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.061 2.110 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.683 3.284 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.174 5.720 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.186 5.410 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.639 5.547 2.614 1.00 0.00 H new ATOM 254 N GLU A 16 -11.828 1.738 4.730 1.00 0.00 N ATOM 255 CA GLU A 16 -12.725 0.608 4.903 1.00 0.00 C ATOM 256 C GLU A 16 -13.048 -0.026 3.548 1.00 0.00 C ATOM 257 O GLU A 16 -13.576 0.640 2.659 1.00 0.00 O ATOM 258 CB GLU A 16 -14.004 1.028 5.631 1.00 0.00 C ATOM 259 CG GLU A 16 -14.934 -0.168 5.840 1.00 0.00 C ATOM 260 CD GLU A 16 -16.393 0.220 5.586 1.00 0.00 C ATOM 261 OE1 GLU A 16 -17.033 0.685 6.554 1.00 0.00 O ATOM 262 OE2 GLU A 16 -16.833 0.045 4.430 1.00 0.00 O ATOM 0 H GLU A 16 -12.279 2.596 4.413 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.223 -0.137 5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.750 1.468 6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.519 1.797 5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.647 -0.978 5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.826 -0.544 6.857 1.00 0.00 H new ATOM 269 N VAL A 17 -12.718 -1.303 3.434 1.00 0.00 N ATOM 270 CA VAL A 17 -12.966 -2.034 2.203 1.00 0.00 C ATOM 271 C VAL A 17 -13.455 -3.443 2.541 1.00 0.00 C ATOM 272 O VAL A 17 -13.515 -3.820 3.711 1.00 0.00 O ATOM 273 CB VAL A 17 -11.710 -2.029 1.329 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.355 -0.608 0.887 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.535 -2.689 2.055 1.00 0.00 C ATOM 0 H VAL A 17 -12.280 -1.851 4.174 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.751 -1.549 1.622 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.922 -2.614 0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.459 -0.633 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.181 -0.188 0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.172 0.011 1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.655 -2.673 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.323 -2.144 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.789 -3.721 2.296 1.00 0.00 H new ATOM 285 N GLU A 18 -13.791 -4.185 1.496 1.00 0.00 N ATOM 286 CA GLU A 18 -14.272 -5.546 1.667 1.00 0.00 C ATOM 287 C GLU A 18 -13.173 -6.547 1.308 1.00 0.00 C ATOM 288 O GLU A 18 -12.215 -6.201 0.619 1.00 0.00 O ATOM 289 CB GLU A 18 -15.532 -5.791 0.833 1.00 0.00 C ATOM 290 CG GLU A 18 -16.781 -5.789 1.715 1.00 0.00 C ATOM 291 CD GLU A 18 -18.045 -5.588 0.875 1.00 0.00 C ATOM 292 OE1 GLU A 18 -18.314 -6.474 0.035 1.00 0.00 O ATOM 293 OE2 GLU A 18 -18.712 -4.555 1.090 1.00 0.00 O ATOM 0 H GLU A 18 -13.740 -3.870 0.527 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.536 -5.688 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.622 -5.020 0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.450 -6.746 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.848 -6.731 2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.704 -4.996 2.459 1.00 0.00 H new ATOM 300 N PRO A 19 -13.352 -7.800 1.805 1.00 0.00 N ATOM 301 CA PRO A 19 -12.387 -8.854 1.543 1.00 0.00 C ATOM 302 C PRO A 19 -12.511 -9.368 0.107 1.00 0.00 C ATOM 303 O PRO A 19 -11.618 -10.052 -0.390 1.00 0.00 O ATOM 304 CB PRO A 19 -12.680 -9.923 2.584 1.00 0.00 C ATOM 305 CG PRO A 19 -14.086 -9.641 3.087 1.00 0.00 C ATOM 306 CD PRO A 19 -14.475 -8.245 2.625 1.00 0.00 C ATOM 0 HA PRO A 19 -11.356 -8.509 1.624 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.614 -10.920 2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.958 -9.882 3.400 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.786 -10.381 2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.123 -9.707 4.174 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.402 -8.261 2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.636 -7.578 3.472 1.00 0.00 H new ATOM 314 N SER A 20 -13.625 -9.018 -0.518 1.00 0.00 N ATOM 315 CA SER A 20 -13.877 -9.434 -1.887 1.00 0.00 C ATOM 316 C SER A 20 -13.306 -8.403 -2.862 1.00 0.00 C ATOM 317 O SER A 20 -13.007 -8.728 -4.010 1.00 0.00 O ATOM 318 CB SER A 20 -15.374 -9.628 -2.136 1.00 0.00 C ATOM 319 OG SER A 20 -15.630 -10.252 -3.391 1.00 0.00 O ATOM 0 H SER A 20 -14.364 -8.451 -0.102 1.00 0.00 H new ATOM 0 HA SER A 20 -13.381 -10.391 -2.050 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.799 -10.235 -1.336 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.875 -8.661 -2.103 1.00 0.00 H new ATOM 0 HG SER A 20 -16.597 -10.359 -3.512 1.00 0.00 H new ATOM 325 N ASP A 21 -13.172 -7.181 -2.369 1.00 0.00 N ATOM 326 CA ASP A 21 -12.640 -6.100 -3.182 1.00 0.00 C ATOM 327 C ASP A 21 -11.165 -6.369 -3.481 1.00 0.00 C ATOM 328 O ASP A 21 -10.439 -6.881 -2.629 1.00 0.00 O ATOM 329 CB ASP A 21 -12.739 -4.760 -2.450 1.00 0.00 C ATOM 330 CG ASP A 21 -14.068 -4.509 -1.736 1.00 0.00 C ATOM 331 OD1 ASP A 21 -15.023 -5.258 -2.034 1.00 0.00 O ATOM 332 OD2 ASP A 21 -14.100 -3.574 -0.908 1.00 0.00 O ATOM 0 H ASP A 21 -13.423 -6.915 -1.417 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.223 -6.052 -4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.934 -4.703 -1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.573 -3.958 -3.169 1.00 0.00 H new ATOM 337 N THR A 22 -10.763 -6.011 -4.691 1.00 0.00 N ATOM 338 CA THR A 22 -9.386 -6.208 -5.112 1.00 0.00 C ATOM 339 C THR A 22 -8.521 -5.027 -4.672 1.00 0.00 C ATOM 340 O THR A 22 -9.040 -4.002 -4.232 1.00 0.00 O ATOM 341 CB THR A 22 -9.382 -6.434 -6.625 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.963 -5.246 -7.155 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.346 -7.543 -7.055 1.00 0.00 C ATOM 0 H THR A 22 -11.367 -5.585 -5.394 1.00 0.00 H new ATOM 0 HA THR A 22 -8.948 -7.086 -4.637 1.00 0.00 H new ATOM 0 HB THR A 22 -8.372 -6.684 -6.951 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.998 -5.307 -8.133 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.304 -7.662 -8.138 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.061 -8.479 -6.575 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.361 -7.278 -6.758 1.00 0.00 H new ATOM 351 N ILE A 23 -7.215 -5.209 -4.805 1.00 0.00 N ATOM 352 CA ILE A 23 -6.273 -4.171 -4.427 1.00 0.00 C ATOM 353 C ILE A 23 -6.468 -2.954 -5.334 1.00 0.00 C ATOM 354 O ILE A 23 -6.196 -1.824 -4.931 1.00 0.00 O ATOM 355 CB ILE A 23 -4.842 -4.717 -4.432 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.579 -5.573 -3.192 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.824 -3.585 -4.575 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.301 -4.696 -1.969 1.00 0.00 C ATOM 0 H ILE A 23 -6.788 -6.060 -5.169 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.462 -3.841 -3.405 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.725 -5.365 -5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.440 -6.212 -2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.729 -6.231 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.816 -4.000 -4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.999 -3.055 -5.511 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.931 -2.892 -3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.117 -5.329 -1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.425 -4.076 -2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.163 -4.057 -1.776 1.00 0.00 H new ATOM 370 N GLU A 24 -6.941 -3.226 -6.541 1.00 0.00 N ATOM 371 CA GLU A 24 -7.177 -2.168 -7.508 1.00 0.00 C ATOM 372 C GLU A 24 -8.342 -1.285 -7.055 1.00 0.00 C ATOM 373 O GLU A 24 -8.291 -0.064 -7.195 1.00 0.00 O ATOM 374 CB GLU A 24 -7.437 -2.746 -8.900 1.00 0.00 C ATOM 375 CG GLU A 24 -7.100 -1.725 -9.989 1.00 0.00 C ATOM 376 CD GLU A 24 -8.373 -1.160 -10.625 1.00 0.00 C ATOM 377 OE1 GLU A 24 -8.880 -1.817 -11.560 1.00 0.00 O ATOM 378 OE2 GLU A 24 -8.810 -0.086 -10.160 1.00 0.00 O ATOM 0 H GLU A 24 -7.167 -4.164 -6.871 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.281 -1.551 -7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.838 -3.646 -9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.482 -3.042 -8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.512 -0.913 -9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.484 -2.196 -10.756 1.00 0.00 H new ATOM 385 N ASN A 25 -9.365 -1.937 -6.522 1.00 0.00 N ATOM 386 CA ASN A 25 -10.540 -1.226 -6.048 1.00 0.00 C ATOM 387 C ASN A 25 -10.170 -0.405 -4.811 1.00 0.00 C ATOM 388 O ASN A 25 -10.558 0.755 -4.693 1.00 0.00 O ATOM 389 CB ASN A 25 -11.651 -2.201 -5.653 1.00 0.00 C ATOM 390 CG ASN A 25 -13.027 -1.543 -5.775 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.168 -0.332 -5.757 1.00 0.00 O ATOM 392 ND2 ASN A 25 -14.031 -2.406 -5.899 1.00 0.00 N ATOM 0 H ASN A 25 -9.404 -2.950 -6.408 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.893 -0.583 -6.854 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.608 -3.084 -6.291 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.495 -2.540 -4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.988 -2.065 -5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.844 -3.409 -5.907 1.00 0.00 H new ATOM 399 N VAL A 26 -9.423 -1.041 -3.920 1.00 0.00 N ATOM 400 CA VAL A 26 -8.996 -0.384 -2.697 1.00 0.00 C ATOM 401 C VAL A 26 -8.041 0.759 -3.043 1.00 0.00 C ATOM 402 O VAL A 26 -8.079 1.816 -2.416 1.00 0.00 O ATOM 403 CB VAL A 26 -8.380 -1.408 -1.740 1.00 0.00 C ATOM 404 CG1 VAL A 26 -8.030 -0.763 -0.398 1.00 0.00 C ATOM 405 CG2 VAL A 26 -9.312 -2.607 -1.546 1.00 0.00 C ATOM 0 H VAL A 26 -9.103 -2.004 -4.021 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.851 0.052 -2.180 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.455 -1.771 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.594 -1.512 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.312 0.042 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.934 -0.358 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.851 -3.319 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.261 -2.267 -1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.489 -3.089 -2.507 1.00 0.00 H new ATOM 415 N LYS A 27 -7.207 0.510 -4.042 1.00 0.00 N ATOM 416 CA LYS A 27 -6.245 1.506 -4.480 1.00 0.00 C ATOM 417 C LYS A 27 -6.989 2.701 -5.080 1.00 0.00 C ATOM 418 O LYS A 27 -6.709 3.847 -4.737 1.00 0.00 O ATOM 419 CB LYS A 27 -5.221 0.880 -5.430 1.00 0.00 C ATOM 420 CG LYS A 27 -4.054 0.267 -4.651 1.00 0.00 C ATOM 421 CD LYS A 27 -2.756 0.346 -5.457 1.00 0.00 C ATOM 422 CE LYS A 27 -1.990 -0.978 -5.392 1.00 0.00 C ATOM 423 NZ LYS A 27 -2.002 -1.648 -6.711 1.00 0.00 N ATOM 0 H LYS A 27 -7.178 -0.368 -4.561 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.673 1.881 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.703 0.112 -6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.846 1.638 -6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.930 0.790 -3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.277 -0.773 -4.414 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.982 0.589 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.132 1.151 -5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.962 -0.795 -5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.440 -1.629 -4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.478 -2.544 -6.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.984 -1.839 -6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.552 -1.032 -7.418 1.00 0.00 H new ATOM 437 N ALA A 28 -7.925 2.390 -5.965 1.00 0.00 N ATOM 438 CA ALA A 28 -8.712 3.423 -6.616 1.00 0.00 C ATOM 439 C ALA A 28 -9.434 4.254 -5.553 1.00 0.00 C ATOM 440 O ALA A 28 -9.567 5.469 -5.694 1.00 0.00 O ATOM 441 CB ALA A 28 -9.682 2.778 -7.609 1.00 0.00 C ATOM 0 H ALA A 28 -8.156 1.437 -6.246 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.068 4.097 -7.181 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.272 3.554 -8.097 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.119 2.224 -8.360 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.347 2.097 -7.078 1.00 0.00 H new ATOM 447 N LYS A 29 -9.879 3.566 -4.512 1.00 0.00 N ATOM 448 CA LYS A 29 -10.583 4.225 -3.425 1.00 0.00 C ATOM 449 C LYS A 29 -9.632 5.195 -2.721 1.00 0.00 C ATOM 450 O LYS A 29 -9.990 6.343 -2.463 1.00 0.00 O ATOM 451 CB LYS A 29 -11.212 3.191 -2.489 1.00 0.00 C ATOM 452 CG LYS A 29 -12.664 3.551 -2.170 1.00 0.00 C ATOM 453 CD LYS A 29 -13.357 2.415 -1.414 1.00 0.00 C ATOM 454 CE LYS A 29 -14.351 2.965 -0.390 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.424 3.728 -1.066 1.00 0.00 N ATOM 0 H LYS A 29 -9.766 2.559 -4.398 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.413 4.817 -3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.171 2.205 -2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.636 3.134 -1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.694 4.462 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.202 3.759 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.877 1.768 -2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.611 1.801 -0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.785 2.144 0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.832 3.608 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.168 3.964 -0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.029 4.604 -1.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.830 3.153 -1.832 1.00 0.00 H new ATOM 469 N ILE A 30 -8.440 4.698 -2.430 1.00 0.00 N ATOM 470 CA ILE A 30 -7.434 5.506 -1.761 1.00 0.00 C ATOM 471 C ILE A 30 -7.037 6.673 -2.668 1.00 0.00 C ATOM 472 O ILE A 30 -6.745 7.766 -2.187 1.00 0.00 O ATOM 473 CB ILE A 30 -6.253 4.638 -1.324 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.691 3.593 -0.295 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.100 5.501 -0.808 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.795 2.355 -0.356 1.00 0.00 C ATOM 0 H ILE A 30 -8.147 3.745 -2.645 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.839 5.937 -0.845 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.886 4.097 -2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.654 4.024 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.726 3.307 -0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.273 4.859 -0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.766 6.173 -1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.438 6.087 0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.128 1.628 0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.853 1.912 -1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.764 2.641 -0.146 1.00 0.00 H new ATOM 488 N GLN A 31 -7.041 6.400 -3.965 1.00 0.00 N ATOM 489 CA GLN A 31 -6.685 7.413 -4.943 1.00 0.00 C ATOM 490 C GLN A 31 -7.713 8.547 -4.931 1.00 0.00 C ATOM 491 O GLN A 31 -7.355 9.711 -4.759 1.00 0.00 O ATOM 492 CB GLN A 31 -6.558 6.804 -6.342 1.00 0.00 C ATOM 493 CG GLN A 31 -6.452 7.897 -7.408 1.00 0.00 C ATOM 494 CD GLN A 31 -6.506 7.297 -8.814 1.00 0.00 C ATOM 495 OE1 GLN A 31 -6.942 6.177 -9.023 1.00 0.00 O ATOM 496 NE2 GLN A 31 -6.039 8.102 -9.764 1.00 0.00 N ATOM 0 H GLN A 31 -7.285 5.492 -4.361 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.713 7.826 -4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.678 6.163 -6.385 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.423 6.173 -6.548 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.265 8.613 -7.282 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.520 8.447 -7.279 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.688 9.028 -9.521 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.032 7.793 -10.736 1.00 0.00 H new ATOM 505 N ASP A 32 -8.968 8.167 -5.117 1.00 0.00 N ATOM 506 CA ASP A 32 -10.050 9.137 -5.128 1.00 0.00 C ATOM 507 C ASP A 32 -10.056 9.904 -3.804 1.00 0.00 C ATOM 508 O ASP A 32 -10.425 11.077 -3.765 1.00 0.00 O ATOM 509 CB ASP A 32 -11.406 8.448 -5.282 1.00 0.00 C ATOM 510 CG ASP A 32 -12.352 9.098 -6.294 1.00 0.00 C ATOM 511 OD1 ASP A 32 -13.086 10.018 -5.876 1.00 0.00 O ATOM 512 OD2 ASP A 32 -12.319 8.659 -7.464 1.00 0.00 O ATOM 0 H ASP A 32 -9.260 7.200 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.890 9.810 -5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.239 7.412 -5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.898 8.427 -4.310 1.00 0.00 H new ATOM 517 N LYS A 33 -9.643 9.212 -2.754 1.00 0.00 N ATOM 518 CA LYS A 33 -9.596 9.812 -1.431 1.00 0.00 C ATOM 519 C LYS A 33 -8.368 10.718 -1.332 1.00 0.00 C ATOM 520 O LYS A 33 -8.490 11.942 -1.368 1.00 0.00 O ATOM 521 CB LYS A 33 -9.654 8.732 -0.349 1.00 0.00 C ATOM 522 CG LYS A 33 -10.722 9.061 0.695 1.00 0.00 C ATOM 523 CD LYS A 33 -11.911 8.105 0.583 1.00 0.00 C ATOM 524 CE LYS A 33 -13.236 8.868 0.654 1.00 0.00 C ATOM 525 NZ LYS A 33 -14.136 8.253 1.654 1.00 0.00 N ATOM 0 H LYS A 33 -9.337 8.240 -2.792 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.471 10.441 -1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.871 7.766 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.681 8.644 0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.291 8.996 1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.062 10.088 0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.853 7.556 -0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.867 7.369 1.386 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.049 9.909 0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.716 8.867 -0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.030 8.783 1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.329 7.266 1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.683 8.276 2.590 1.00 0.00 H new ATOM 539 N GLU A 34 -7.212 10.083 -1.206 1.00 0.00 N ATOM 540 CA GLU A 34 -5.962 10.816 -1.100 1.00 0.00 C ATOM 541 C GLU A 34 -5.718 11.637 -2.368 1.00 0.00 C ATOM 542 O GLU A 34 -5.658 12.865 -2.315 1.00 0.00 O ATOM 543 CB GLU A 34 -4.792 9.868 -0.828 1.00 0.00 C ATOM 544 CG GLU A 34 -3.916 10.392 0.312 1.00 0.00 C ATOM 545 CD GLU A 34 -4.747 10.646 1.571 1.00 0.00 C ATOM 546 OE1 GLU A 34 -5.717 9.883 1.773 1.00 0.00 O ATOM 547 OE2 GLU A 34 -4.395 11.597 2.302 1.00 0.00 O ATOM 0 H GLU A 34 -7.115 9.068 -1.175 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.036 11.501 -0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.172 8.879 -0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.192 9.757 -1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.129 9.671 0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.426 11.315 0.003 1.00 0.00 H new ATOM 554 N GLY A 35 -5.586 10.926 -3.478 1.00 0.00 N ATOM 555 CA GLY A 35 -5.351 11.574 -4.758 1.00 0.00 C ATOM 556 C GLY A 35 -4.145 10.959 -5.470 1.00 0.00 C ATOM 557 O GLY A 35 -3.818 11.346 -6.591 1.00 0.00 O ATOM 0 H GLY A 35 -5.637 9.908 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.237 11.478 -5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.183 12.640 -4.605 1.00 0.00 H new ATOM 561 N ILE A 36 -3.516 10.011 -4.791 1.00 0.00 N ATOM 562 CA ILE A 36 -2.353 9.339 -5.345 1.00 0.00 C ATOM 563 C ILE A 36 -2.812 8.281 -6.350 1.00 0.00 C ATOM 564 O ILE A 36 -3.831 7.623 -6.143 1.00 0.00 O ATOM 565 CB ILE A 36 -1.472 8.782 -4.224 1.00 0.00 C ATOM 566 CG1 ILE A 36 -0.928 9.909 -3.343 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.352 7.907 -4.791 1.00 0.00 C ATOM 568 CD1 ILE A 36 -1.170 9.611 -1.862 1.00 0.00 C ATOM 0 H ILE A 36 -3.790 9.692 -3.862 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.727 10.046 -5.889 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.088 8.146 -3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.140 10.033 -3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.408 10.850 -3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.259 7.524 -3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.786 7.072 -5.342 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.269 8.501 -5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.774 10.427 -1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.240 9.511 -1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.668 8.682 -1.591 1.00 0.00 H new ATOM 580 N PRO A 37 -2.018 8.146 -7.445 1.00 0.00 N ATOM 581 CA PRO A 37 -2.332 7.178 -8.483 1.00 0.00 C ATOM 582 C PRO A 37 -2.001 5.756 -8.025 1.00 0.00 C ATOM 583 O PRO A 37 -1.115 5.558 -7.196 1.00 0.00 O ATOM 584 CB PRO A 37 -1.518 7.618 -9.689 1.00 0.00 C ATOM 585 CG PRO A 37 -0.431 8.531 -9.149 1.00 0.00 C ATOM 586 CD PRO A 37 -0.803 8.907 -7.724 1.00 0.00 C ATOM 0 HA PRO A 37 -3.395 7.149 -8.725 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.087 6.759 -10.203 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.144 8.141 -10.412 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.536 8.028 -9.171 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.340 9.424 -9.768 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.006 8.651 -7.026 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.977 9.979 -7.630 1.00 0.00 H new ATOM 594 N PRO A 38 -2.751 4.779 -8.600 1.00 0.00 N ATOM 595 CA PRO A 38 -2.547 3.381 -8.260 1.00 0.00 C ATOM 596 C PRO A 38 -1.276 2.837 -8.914 1.00 0.00 C ATOM 597 O PRO A 38 -0.647 1.919 -8.390 1.00 0.00 O ATOM 598 CB PRO A 38 -3.807 2.673 -8.731 1.00 0.00 C ATOM 599 CG PRO A 38 -4.464 3.612 -9.730 1.00 0.00 C ATOM 600 CD PRO A 38 -3.811 4.977 -9.585 1.00 0.00 C ATOM 0 HA PRO A 38 -2.395 3.226 -7.192 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.567 1.716 -9.194 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.474 2.464 -7.894 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.341 3.236 -10.746 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.536 3.680 -9.543 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.408 5.326 -10.536 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.529 5.726 -9.249 1.00 0.00 H new ATOM 608 N ASP A 39 -0.935 3.427 -10.050 1.00 0.00 N ATOM 609 CA ASP A 39 0.251 3.013 -10.781 1.00 0.00 C ATOM 610 C ASP A 39 1.498 3.397 -9.982 1.00 0.00 C ATOM 611 O ASP A 39 2.453 2.626 -9.906 1.00 0.00 O ATOM 612 CB ASP A 39 0.328 3.709 -12.142 1.00 0.00 C ATOM 613 CG ASP A 39 -0.452 3.023 -13.265 1.00 0.00 C ATOM 614 OD1 ASP A 39 -0.744 1.818 -13.099 1.00 0.00 O ATOM 615 OD2 ASP A 39 -0.739 3.717 -14.264 1.00 0.00 O ATOM 0 H ASP A 39 -1.459 4.188 -10.482 1.00 0.00 H new ATOM 0 HA ASP A 39 0.197 1.934 -10.929 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.042 4.728 -12.033 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.375 3.780 -12.438 1.00 0.00 H new ATOM 620 N GLN A 40 1.449 4.590 -9.407 1.00 0.00 N ATOM 621 CA GLN A 40 2.562 5.085 -8.615 1.00 0.00 C ATOM 622 C GLN A 40 2.388 4.691 -7.148 1.00 0.00 C ATOM 623 O GLN A 40 3.069 5.224 -6.273 1.00 0.00 O ATOM 624 CB GLN A 40 2.707 6.602 -8.763 1.00 0.00 C ATOM 625 CG GLN A 40 4.176 7.000 -8.915 1.00 0.00 C ATOM 626 CD GLN A 40 4.424 7.679 -10.263 1.00 0.00 C ATOM 627 OE1 GLN A 40 4.841 8.823 -10.343 1.00 0.00 O ATOM 628 NE2 GLN A 40 4.144 6.914 -11.314 1.00 0.00 N ATOM 0 H GLN A 40 0.656 5.228 -9.474 1.00 0.00 H new ATOM 0 HA GLN A 40 3.479 4.627 -8.986 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.143 6.942 -9.631 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.280 7.098 -7.891 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.459 7.674 -8.107 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.807 6.115 -8.828 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.798 5.964 -11.176 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.275 7.277 -12.258 1.00 0.00 H new ATOM 637 N GLN A 41 1.473 3.760 -6.923 1.00 0.00 N ATOM 638 CA GLN A 41 1.200 3.288 -5.576 1.00 0.00 C ATOM 639 C GLN A 41 2.035 2.042 -5.271 1.00 0.00 C ATOM 640 O GLN A 41 2.157 1.151 -6.112 1.00 0.00 O ATOM 641 CB GLN A 41 -0.292 3.010 -5.383 1.00 0.00 C ATOM 642 CG GLN A 41 -0.995 4.208 -4.746 1.00 0.00 C ATOM 643 CD GLN A 41 -2.494 4.196 -5.061 1.00 0.00 C ATOM 644 OE1 GLN A 41 -3.117 3.156 -5.190 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.033 5.405 -5.175 1.00 0.00 N ATOM 0 H GLN A 41 0.911 3.319 -7.651 1.00 0.00 H new ATOM 0 HA GLN A 41 1.483 4.072 -4.873 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.751 2.784 -6.346 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.423 2.130 -4.753 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.846 4.189 -3.666 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.550 5.133 -5.113 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.453 6.235 -5.055 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.027 5.503 -5.383 1.00 0.00 H new ATOM 654 N ARG A 42 2.588 2.019 -4.067 1.00 0.00 N ATOM 655 CA ARG A 42 3.407 0.897 -3.642 1.00 0.00 C ATOM 656 C ARG A 42 3.013 0.458 -2.230 1.00 0.00 C ATOM 657 O ARG A 42 3.509 1.003 -1.245 1.00 0.00 O ATOM 658 CB ARG A 42 4.893 1.262 -3.659 1.00 0.00 C ATOM 659 CG ARG A 42 5.611 0.583 -4.827 1.00 0.00 C ATOM 660 CD ARG A 42 7.079 0.318 -4.489 1.00 0.00 C ATOM 661 NE ARG A 42 7.453 -1.054 -4.896 1.00 0.00 N ATOM 662 CZ ARG A 42 7.846 -1.391 -6.131 1.00 0.00 C ATOM 663 NH1 ARG A 42 7.919 -0.456 -7.089 1.00 0.00 N ATOM 664 NH2 ARG A 42 8.166 -2.662 -6.409 1.00 0.00 N ATOM 0 H ARG A 42 2.485 2.759 -3.373 1.00 0.00 H new ATOM 0 HA ARG A 42 3.238 0.079 -4.342 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.005 2.343 -3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.356 0.962 -2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.114 -0.357 -5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.546 1.213 -5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.714 1.043 -4.998 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.243 0.446 -3.419 1.00 0.00 H new ATOM 0 HE ARG A 42 7.409 -1.790 -4.191 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.675 0.511 -6.877 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.218 -0.712 -8.030 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.110 -3.373 -5.680 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.465 -2.918 -7.350 1.00 0.00 H new ATOM 678 N LEU A 43 2.125 -0.524 -2.176 1.00 0.00 N ATOM 679 CA LEU A 43 1.659 -1.042 -0.902 1.00 0.00 C ATOM 680 C LEU A 43 2.443 -2.310 -0.554 1.00 0.00 C ATOM 681 O LEU A 43 2.433 -3.277 -1.313 1.00 0.00 O ATOM 682 CB LEU A 43 0.143 -1.247 -0.928 1.00 0.00 C ATOM 683 CG LEU A 43 -0.631 -0.396 -1.939 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.082 -0.866 -2.053 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.535 1.090 -1.592 1.00 0.00 C ATOM 0 H LEU A 43 1.716 -0.974 -2.995 1.00 0.00 H new ATOM 0 HA LEU A 43 1.847 -0.320 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.058 -2.298 -1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.249 -1.040 0.068 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.172 -0.527 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.610 -0.245 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.103 -1.905 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.569 -0.783 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.093 1.672 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.953 1.260 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.510 1.399 -1.603 1.00 0.00 H new ATOM 697 N ILE A 44 3.104 -2.261 0.593 1.00 0.00 N ATOM 698 CA ILE A 44 3.893 -3.392 1.051 1.00 0.00 C ATOM 699 C ILE A 44 3.174 -4.071 2.219 1.00 0.00 C ATOM 700 O ILE A 44 2.661 -3.397 3.111 1.00 0.00 O ATOM 701 CB ILE A 44 5.321 -2.952 1.380 1.00 0.00 C ATOM 702 CG1 ILE A 44 6.002 -2.343 0.153 1.00 0.00 C ATOM 703 CG2 ILE A 44 6.129 -4.110 1.969 1.00 0.00 C ATOM 704 CD1 ILE A 44 7.272 -1.586 0.550 1.00 0.00 C ATOM 0 H ILE A 44 3.109 -1.456 1.219 1.00 0.00 H new ATOM 0 HA ILE A 44 3.988 -4.135 0.259 1.00 0.00 H new ATOM 0 HB ILE A 44 5.273 -2.173 2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.251 -3.131 -0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.313 -1.665 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.140 -3.771 2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.651 -4.459 2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.172 -4.927 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.737 -1.163 -0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.016 -0.784 1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.969 -2.272 1.032 1.00 0.00 H new ATOM 716 N PHE A 45 3.161 -5.395 2.176 1.00 0.00 N ATOM 717 CA PHE A 45 2.514 -6.170 3.220 1.00 0.00 C ATOM 718 C PHE A 45 3.176 -7.541 3.374 1.00 0.00 C ATOM 719 O PHE A 45 3.223 -8.323 2.425 1.00 0.00 O ATOM 720 CB PHE A 45 1.057 -6.367 2.794 1.00 0.00 C ATOM 721 CG PHE A 45 0.089 -6.566 3.961 1.00 0.00 C ATOM 722 CD1 PHE A 45 -0.094 -5.572 4.871 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.590 -7.738 4.089 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.994 -5.757 5.954 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.489 -7.923 5.172 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.672 -6.928 6.082 1.00 0.00 C ATOM 0 H PHE A 45 3.588 -5.950 1.435 1.00 0.00 H new ATOM 0 HA PHE A 45 2.592 -5.648 4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.738 -5.500 2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.996 -7.232 2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.445 -4.642 4.770 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.445 -8.528 3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.140 -4.967 6.676 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.028 -8.854 5.274 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.356 -7.069 6.906 1.00 0.00 H new ATOM 736 N ALA A 46 3.671 -7.791 4.578 1.00 0.00 N ATOM 737 CA ALA A 46 4.327 -9.054 4.869 1.00 0.00 C ATOM 738 C ALA A 46 5.593 -9.174 4.016 1.00 0.00 C ATOM 739 O ALA A 46 6.174 -10.252 3.911 1.00 0.00 O ATOM 740 CB ALA A 46 3.351 -10.206 4.628 1.00 0.00 C ATOM 0 H ALA A 46 3.631 -7.140 5.362 1.00 0.00 H new ATOM 0 HA ALA A 46 4.628 -9.097 5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.845 -11.153 4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.484 -10.090 5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.028 -10.197 3.587 1.00 0.00 H new ATOM 746 N GLY A 47 5.982 -8.051 3.432 1.00 0.00 N ATOM 747 CA GLY A 47 7.168 -8.016 2.592 1.00 0.00 C ATOM 748 C GLY A 47 6.801 -8.194 1.118 1.00 0.00 C ATOM 749 O GLY A 47 7.661 -8.099 0.244 1.00 0.00 O ATOM 0 H GLY A 47 5.497 -7.158 3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.687 -7.068 2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.857 -8.804 2.897 1.00 0.00 H new ATOM 753 N LYS A 48 5.521 -8.449 0.887 1.00 0.00 N ATOM 754 CA LYS A 48 5.029 -8.641 -0.467 1.00 0.00 C ATOM 755 C LYS A 48 4.195 -7.426 -0.880 1.00 0.00 C ATOM 756 O LYS A 48 3.405 -6.914 -0.089 1.00 0.00 O ATOM 757 CB LYS A 48 4.278 -9.969 -0.581 1.00 0.00 C ATOM 758 CG LYS A 48 4.174 -10.417 -2.040 1.00 0.00 C ATOM 759 CD LYS A 48 3.423 -11.745 -2.155 1.00 0.00 C ATOM 760 CE LYS A 48 4.060 -12.646 -3.215 1.00 0.00 C ATOM 761 NZ LYS A 48 5.392 -13.109 -2.769 1.00 0.00 N ATOM 0 H LYS A 48 4.810 -8.527 1.614 1.00 0.00 H new ATOM 0 HA LYS A 48 5.861 -8.710 -1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.793 -10.733 0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.279 -9.864 -0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.660 -9.653 -2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.173 -10.522 -2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.427 -12.253 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.381 -11.556 -2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.416 -13.504 -3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.154 -12.102 -4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.618 -14.012 -3.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.109 -12.400 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.386 -13.241 -1.737 1.00 0.00 H new ATOM 775 N GLN A 49 4.402 -7.000 -2.117 1.00 0.00 N ATOM 776 CA GLN A 49 3.680 -5.855 -2.644 1.00 0.00 C ATOM 777 C GLN A 49 2.318 -6.290 -3.189 1.00 0.00 C ATOM 778 O GLN A 49 2.218 -7.302 -3.883 1.00 0.00 O ATOM 779 CB GLN A 49 4.498 -5.138 -3.721 1.00 0.00 C ATOM 780 CG GLN A 49 4.619 -5.999 -4.980 1.00 0.00 C ATOM 781 CD GLN A 49 5.405 -5.267 -6.071 1.00 0.00 C ATOM 782 OE1 GLN A 49 6.614 -5.122 -6.008 1.00 0.00 O ATOM 783 NE2 GLN A 49 4.652 -4.816 -7.070 1.00 0.00 N ATOM 0 H GLN A 49 5.059 -7.427 -2.770 1.00 0.00 H new ATOM 0 HA GLN A 49 3.515 -5.149 -1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.025 -4.188 -3.970 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.492 -4.909 -3.336 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.116 -6.938 -4.736 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.625 -6.251 -5.350 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.644 -4.972 -7.060 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.082 -4.314 -7.847 1.00 0.00 H new ATOM 792 N LEU A 50 1.304 -5.506 -2.855 1.00 0.00 N ATOM 793 CA LEU A 50 -0.047 -5.798 -3.304 1.00 0.00 C ATOM 794 C LEU A 50 -0.211 -5.338 -4.753 1.00 0.00 C ATOM 795 O LEU A 50 -0.355 -4.144 -5.016 1.00 0.00 O ATOM 796 CB LEU A 50 -1.073 -5.190 -2.345 1.00 0.00 C ATOM 797 CG LEU A 50 -0.702 -5.216 -0.861 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.745 -4.476 -0.022 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.487 -6.651 -0.374 1.00 0.00 C ATOM 0 H LEU A 50 1.390 -4.669 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.229 -6.873 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.245 -4.154 -2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.018 -5.719 -2.472 1.00 0.00 H new ATOM 0 HG LEU A 50 0.244 -4.689 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.457 -4.510 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.805 -3.438 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.717 -4.952 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.224 -6.641 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.403 -7.224 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.320 -7.111 -0.944 1.00 0.00 H new ATOM 811 N GLU A 51 -0.184 -6.307 -5.655 1.00 0.00 N ATOM 812 CA GLU A 51 -0.327 -6.016 -7.071 1.00 0.00 C ATOM 813 C GLU A 51 -1.804 -6.046 -7.473 1.00 0.00 C ATOM 814 O GLU A 51 -2.533 -6.964 -7.102 1.00 0.00 O ATOM 815 CB GLU A 51 0.491 -6.993 -7.918 1.00 0.00 C ATOM 816 CG GLU A 51 0.815 -6.393 -9.288 1.00 0.00 C ATOM 817 CD GLU A 51 0.315 -7.300 -10.415 1.00 0.00 C ATOM 818 OE1 GLU A 51 -0.889 -7.194 -10.737 1.00 0.00 O ATOM 819 OE2 GLU A 51 1.147 -8.077 -10.929 1.00 0.00 O ATOM 0 H GLU A 51 -0.065 -7.295 -5.433 1.00 0.00 H new ATOM 0 HA GLU A 51 0.060 -5.014 -7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.416 -7.244 -7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.064 -7.922 -8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.354 -5.409 -9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.892 -6.250 -9.381 1.00 0.00 H new ATOM 826 N ASP A 52 -2.200 -5.031 -8.227 1.00 0.00 N ATOM 827 CA ASP A 52 -3.576 -4.930 -8.682 1.00 0.00 C ATOM 828 C ASP A 52 -4.011 -6.270 -9.279 1.00 0.00 C ATOM 829 O ASP A 52 -3.499 -6.688 -10.316 1.00 0.00 O ATOM 830 CB ASP A 52 -3.720 -3.861 -9.767 1.00 0.00 C ATOM 831 CG ASP A 52 -2.753 -4.000 -10.944 1.00 0.00 C ATOM 832 OD1 ASP A 52 -3.123 -4.715 -11.901 1.00 0.00 O ATOM 833 OD2 ASP A 52 -1.666 -3.388 -10.861 1.00 0.00 O ATOM 0 H ASP A 52 -1.592 -4.272 -8.534 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.195 -4.662 -7.826 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.740 -3.888 -10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.576 -2.881 -9.312 1.00 0.00 H new ATOM 838 N GLY A 53 -4.950 -6.908 -8.597 1.00 0.00 N ATOM 839 CA GLY A 53 -5.461 -8.193 -9.046 1.00 0.00 C ATOM 840 C GLY A 53 -5.652 -9.149 -7.867 1.00 0.00 C ATOM 841 O GLY A 53 -6.442 -10.089 -7.947 1.00 0.00 O ATOM 0 H GLY A 53 -5.371 -6.559 -7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.411 -8.051 -9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.770 -8.632 -9.766 1.00 0.00 H new ATOM 845 N ARG A 54 -4.914 -8.878 -6.801 1.00 0.00 N ATOM 846 CA ARG A 54 -4.993 -9.703 -5.607 1.00 0.00 C ATOM 847 C ARG A 54 -5.941 -9.071 -4.587 1.00 0.00 C ATOM 848 O ARG A 54 -5.895 -7.864 -4.356 1.00 0.00 O ATOM 849 CB ARG A 54 -3.613 -9.881 -4.970 1.00 0.00 C ATOM 850 CG ARG A 54 -2.777 -10.898 -5.750 1.00 0.00 C ATOM 851 CD ARG A 54 -2.727 -12.242 -5.020 1.00 0.00 C ATOM 852 NE ARG A 54 -1.320 -12.632 -4.773 1.00 0.00 N ATOM 853 CZ ARG A 54 -0.950 -13.789 -4.209 1.00 0.00 C ATOM 854 NH1 ARG A 54 -1.879 -14.679 -3.831 1.00 0.00 N ATOM 855 NH2 ARG A 54 0.349 -14.059 -4.024 1.00 0.00 N ATOM 0 H ARG A 54 -4.258 -8.099 -6.739 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.373 -10.681 -5.903 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.094 -8.923 -4.943 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.725 -10.212 -3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.201 -11.036 -6.745 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.765 -10.515 -5.885 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.265 -12.172 -4.075 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.226 -13.007 -5.615 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.587 -11.979 -5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.868 -14.475 -3.973 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.596 -15.560 -3.402 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.056 -13.383 -4.313 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.631 -14.940 -3.594 1.00 0.00 H new ATOM 869 N THR A 55 -6.779 -9.915 -4.002 1.00 0.00 N ATOM 870 CA THR A 55 -7.736 -9.454 -3.011 1.00 0.00 C ATOM 871 C THR A 55 -7.135 -9.541 -1.607 1.00 0.00 C ATOM 872 O THR A 55 -6.217 -10.325 -1.369 1.00 0.00 O ATOM 873 CB THR A 55 -9.017 -10.274 -3.176 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.553 -11.590 -3.469 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.814 -9.874 -4.418 1.00 0.00 C ATOM 0 H THR A 55 -6.815 -10.916 -4.196 1.00 0.00 H new ATOM 0 HA THR A 55 -7.984 -8.403 -3.159 1.00 0.00 H new ATOM 0 HB THR A 55 -9.641 -10.152 -2.291 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.320 -12.188 -3.589 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.713 -10.487 -4.487 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.096 -8.823 -4.347 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.202 -10.026 -5.307 1.00 0.00 H new ATOM 883 N LEU A 56 -7.675 -8.726 -0.715 1.00 0.00 N ATOM 884 CA LEU A 56 -7.203 -8.701 0.659 1.00 0.00 C ATOM 885 C LEU A 56 -7.431 -10.073 1.297 1.00 0.00 C ATOM 886 O LEU A 56 -6.698 -10.469 2.203 1.00 0.00 O ATOM 887 CB LEU A 56 -7.856 -7.550 1.429 1.00 0.00 C ATOM 888 CG LEU A 56 -7.830 -6.184 0.740 1.00 0.00 C ATOM 889 CD1 LEU A 56 -9.127 -5.414 1.003 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.595 -5.383 1.154 1.00 0.00 C ATOM 0 H LEU A 56 -8.436 -8.077 -0.916 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.131 -8.508 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.894 -7.815 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.360 -7.457 2.395 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.762 -6.345 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.084 -4.447 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.973 -5.984 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.249 -5.263 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.602 -4.417 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.606 -5.229 2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.695 -5.931 0.875 1.00 0.00 H new ATOM 902 N SER A 57 -8.447 -10.761 0.799 1.00 0.00 N ATOM 903 CA SER A 57 -8.779 -12.080 1.308 1.00 0.00 C ATOM 904 C SER A 57 -7.623 -13.048 1.050 1.00 0.00 C ATOM 905 O SER A 57 -7.149 -13.713 1.968 1.00 0.00 O ATOM 906 CB SER A 57 -10.066 -12.609 0.672 1.00 0.00 C ATOM 907 OG SER A 57 -10.339 -13.954 1.056 1.00 0.00 O ATOM 0 H SER A 57 -9.052 -10.429 0.048 1.00 0.00 H new ATOM 0 HA SER A 57 -8.943 -11.999 2.382 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.902 -11.973 0.963 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.984 -12.552 -0.413 1.00 0.00 H new ATOM 0 HG SER A 57 -11.169 -14.254 0.630 1.00 0.00 H new ATOM 913 N ASP A 58 -7.201 -13.093 -0.205 1.00 0.00 N ATOM 914 CA ASP A 58 -6.110 -13.968 -0.597 1.00 0.00 C ATOM 915 C ASP A 58 -4.846 -13.573 0.169 1.00 0.00 C ATOM 916 O ASP A 58 -3.876 -14.329 0.207 1.00 0.00 O ATOM 917 CB ASP A 58 -5.814 -13.845 -2.093 1.00 0.00 C ATOM 918 CG ASP A 58 -5.395 -15.147 -2.779 1.00 0.00 C ATOM 919 OD1 ASP A 58 -5.743 -16.215 -2.230 1.00 0.00 O ATOM 920 OD2 ASP A 58 -4.737 -15.045 -3.837 1.00 0.00 O ATOM 0 H ASP A 58 -7.595 -12.537 -0.964 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.403 -14.993 -0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.702 -13.458 -2.593 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.023 -13.108 -2.232 1.00 0.00 H new ATOM 925 N TYR A 59 -4.896 -12.387 0.759 1.00 0.00 N ATOM 926 CA TYR A 59 -3.768 -11.882 1.522 1.00 0.00 C ATOM 927 C TYR A 59 -3.957 -12.141 3.017 1.00 0.00 C ATOM 928 O TYR A 59 -3.008 -12.039 3.794 1.00 0.00 O ATOM 929 CB TYR A 59 -3.736 -10.372 1.277 1.00 0.00 C ATOM 930 CG TYR A 59 -3.020 -9.966 -0.012 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.732 -10.401 -0.255 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.661 -9.164 -0.934 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.059 -10.019 -1.468 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.987 -8.781 -2.148 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.720 -9.228 -2.355 1.00 0.00 C ATOM 936 OH TYR A 59 -1.084 -8.866 -3.501 1.00 0.00 O ATOM 0 H TYR A 59 -5.701 -11.761 0.724 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.845 -12.375 1.215 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.759 -9.998 1.245 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.245 -9.888 2.121 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.229 -11.029 0.466 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.668 -8.823 -0.745 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.052 -10.353 -1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.477 -8.153 -2.877 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.846 -9.669 -4.010 1.00 0.00 H new ATOM 946 N ASN A 60 -5.188 -12.471 3.378 1.00 0.00 N ATOM 947 CA ASN A 60 -5.514 -12.744 4.767 1.00 0.00 C ATOM 948 C ASN A 60 -5.096 -11.552 5.629 1.00 0.00 C ATOM 949 O ASN A 60 -4.210 -11.672 6.475 1.00 0.00 O ATOM 950 CB ASN A 60 -4.767 -13.979 5.275 1.00 0.00 C ATOM 951 CG ASN A 60 -5.237 -14.366 6.679 1.00 0.00 C ATOM 952 OD1 ASN A 60 -6.411 -14.303 7.008 1.00 0.00 O ATOM 953 ND2 ASN A 60 -4.259 -14.767 7.485 1.00 0.00 N ATOM 0 H ASN A 60 -5.973 -12.556 2.732 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.588 -12.919 4.833 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.928 -14.812 4.591 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.695 -13.780 5.288 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.470 -15.046 8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.298 -14.796 7.145 1.00 0.00 H new ATOM 960 N ILE A 61 -5.754 -10.427 5.386 1.00 0.00 N ATOM 961 CA ILE A 61 -5.462 -9.214 6.129 1.00 0.00 C ATOM 962 C ILE A 61 -6.286 -9.199 7.418 1.00 0.00 C ATOM 963 O ILE A 61 -7.455 -9.584 7.415 1.00 0.00 O ATOM 964 CB ILE A 61 -5.676 -7.981 5.249 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.428 -7.676 4.419 1.00 0.00 C ATOM 966 CG2 ILE A 61 -6.116 -6.779 6.086 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.795 -6.974 3.111 1.00 0.00 C ATOM 0 H ILE A 61 -6.488 -10.331 4.685 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.412 -9.191 6.421 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.483 -8.198 4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.749 -7.047 4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.897 -8.603 4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.261 -5.916 5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.052 -7.012 6.594 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.349 -6.551 6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.889 -6.769 2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.454 -7.616 2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.304 -6.036 3.332 1.00 0.00 H new ATOM 979 N GLN A 62 -5.645 -8.752 8.488 1.00 0.00 N ATOM 980 CA GLN A 62 -6.305 -8.683 9.781 1.00 0.00 C ATOM 981 C GLN A 62 -6.827 -7.267 10.036 1.00 0.00 C ATOM 982 O GLN A 62 -6.269 -6.295 9.528 1.00 0.00 O ATOM 983 CB GLN A 62 -5.365 -9.130 10.901 1.00 0.00 C ATOM 984 CG GLN A 62 -4.419 -10.231 10.416 1.00 0.00 C ATOM 985 CD GLN A 62 -5.173 -11.543 10.193 1.00 0.00 C ATOM 986 OE1 GLN A 62 -6.327 -11.566 9.799 1.00 0.00 O ATOM 987 NE2 GLN A 62 -4.459 -12.631 10.467 1.00 0.00 N ATOM 0 H GLN A 62 -4.676 -8.434 8.486 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.154 -9.366 9.770 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.785 -8.278 11.256 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.948 -9.493 11.747 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.940 -9.921 9.488 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.626 -10.383 11.149 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.497 -12.541 10.794 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.873 -13.556 10.351 1.00 0.00 H new ATOM 996 N LYS A 63 -7.891 -7.196 10.821 1.00 0.00 N ATOM 997 CA LYS A 63 -8.494 -5.915 11.149 1.00 0.00 C ATOM 998 C LYS A 63 -7.409 -4.957 11.643 1.00 0.00 C ATOM 999 O LYS A 63 -6.495 -5.363 12.357 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.645 -6.103 12.139 1.00 0.00 C ATOM 1001 CG LYS A 63 -10.783 -6.912 11.511 1.00 0.00 C ATOM 1002 CD LYS A 63 -11.165 -8.099 12.395 1.00 0.00 C ATOM 1003 CE LYS A 63 -12.632 -8.483 12.196 1.00 0.00 C ATOM 1004 NZ LYS A 63 -12.784 -9.954 12.158 1.00 0.00 N ATOM 0 H LYS A 63 -8.351 -8.004 11.240 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.938 -5.464 10.261 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.282 -6.612 13.032 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.019 -5.130 12.457 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.651 -6.270 11.363 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.480 -7.270 10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.528 -8.951 12.160 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.990 -7.849 13.441 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.235 -8.070 13.005 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.005 -8.049 11.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.786 -10.196 12.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.225 -10.341 11.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.448 -10.361 13.054 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.546 -3.700 11.242 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.588 -2.681 11.636 1.00 0.00 C ATOM 1020 C GLU A 64 -5.170 -3.111 11.257 1.00 0.00 C ATOM 1021 O GLU A 64 -4.251 -3.017 12.068 1.00 0.00 O ATOM 1022 CB GLU A 64 -6.688 -2.383 13.133 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.148 -2.217 13.562 1.00 0.00 C ATOM 1024 CD GLU A 64 -8.267 -1.237 14.732 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -7.312 -0.450 14.912 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -9.310 -1.297 15.418 1.00 0.00 O ATOM 0 H GLU A 64 -8.305 -3.365 10.649 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.824 -1.762 11.100 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.228 -3.192 13.700 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.131 -1.475 13.365 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.740 -1.858 12.720 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.559 -3.185 13.850 1.00 0.00 H new ATOM 1033 N SER A 65 -5.036 -3.572 10.021 1.00 0.00 N ATOM 1034 CA SER A 65 -3.745 -4.017 9.525 1.00 0.00 C ATOM 1035 C SER A 65 -2.858 -2.808 9.217 1.00 0.00 C ATOM 1036 O SER A 65 -3.358 -1.737 8.878 1.00 0.00 O ATOM 1037 CB SER A 65 -3.905 -4.888 8.277 1.00 0.00 C ATOM 1038 OG SER A 65 -4.898 -4.377 7.392 1.00 0.00 O ATOM 0 H SER A 65 -5.800 -3.647 9.349 1.00 0.00 H new ATOM 0 HA SER A 65 -3.271 -4.621 10.299 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.951 -4.950 7.754 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.172 -5.902 8.575 1.00 0.00 H new ATOM 0 HG SER A 65 -5.785 -4.657 7.700 1.00 0.00 H new ATOM 1044 N THR A 66 -1.557 -3.021 9.348 1.00 0.00 N ATOM 1045 CA THR A 66 -0.596 -1.963 9.088 1.00 0.00 C ATOM 1046 C THR A 66 0.021 -2.130 7.698 1.00 0.00 C ATOM 1047 O THR A 66 0.875 -2.991 7.494 1.00 0.00 O ATOM 1048 CB THR A 66 0.437 -1.974 10.217 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.262 -1.429 11.333 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.580 -0.987 9.975 1.00 0.00 C ATOM 0 H THR A 66 -1.146 -3.911 9.631 1.00 0.00 H new ATOM 0 HA THR A 66 -1.078 -0.986 9.079 1.00 0.00 H new ATOM 0 HB THR A 66 0.843 -2.979 10.327 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.334 -1.401 12.110 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.284 -1.035 10.806 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.093 -1.245 9.049 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.178 0.023 9.898 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.436 -1.294 6.778 1.00 0.00 N ATOM 1059 CA LEU A 67 0.059 -1.340 5.413 1.00 0.00 C ATOM 1060 C LEU A 67 0.917 -0.102 5.145 1.00 0.00 C ATOM 1061 O LEU A 67 0.637 0.977 5.667 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.097 -1.511 4.428 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.029 -2.698 4.685 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.116 -2.332 5.699 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.619 -3.227 3.378 1.00 0.00 C ATOM 0 H LEU A 67 -1.144 -0.581 6.951 1.00 0.00 H new ATOM 0 HA LEU A 67 0.699 -2.210 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.693 -0.598 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.682 -1.611 3.425 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.440 -3.505 5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.765 -3.192 5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.652 -2.042 6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.707 -1.501 5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.277 -4.070 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.188 -2.436 2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.813 -3.553 2.721 1.00 0.00 H new ATOM 1077 N HIS A 68 1.946 -0.297 4.332 1.00 0.00 N ATOM 1078 CA HIS A 68 2.845 0.791 3.989 1.00 0.00 C ATOM 1079 C HIS A 68 2.597 1.226 2.543 1.00 0.00 C ATOM 1080 O HIS A 68 2.936 0.504 1.607 1.00 0.00 O ATOM 1081 CB HIS A 68 4.300 0.393 4.247 1.00 0.00 C ATOM 1082 CG HIS A 68 5.284 1.529 4.089 1.00 0.00 C ATOM 1083 ND1 HIS A 68 6.620 1.326 3.788 1.00 0.00 N ATOM 1084 CD2 HIS A 68 5.112 2.878 4.192 1.00 0.00 C ATOM 1085 CE1 HIS A 68 7.215 2.507 3.716 1.00 0.00 C ATOM 1086 NE2 HIS A 68 6.279 3.468 3.967 1.00 0.00 N ATOM 0 H HIS A 68 2.176 -1.192 3.901 1.00 0.00 H new ATOM 0 HA HIS A 68 2.644 1.650 4.629 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.383 -0.008 5.257 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.574 -0.409 3.562 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.183 3.381 4.418 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.258 2.679 3.497 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.449 4.474 3.980 1.00 0.00 H new ATOM 1094 N LEU A 69 2.007 2.405 2.407 1.00 0.00 N ATOM 1095 CA LEU A 69 1.709 2.944 1.091 1.00 0.00 C ATOM 1096 C LEU A 69 2.762 3.993 0.725 1.00 0.00 C ATOM 1097 O LEU A 69 2.673 5.142 1.155 1.00 0.00 O ATOM 1098 CB LEU A 69 0.273 3.470 1.040 1.00 0.00 C ATOM 1099 CG LEU A 69 0.013 4.618 0.062 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.438 4.235 -1.357 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -1.447 5.069 0.122 1.00 0.00 C ATOM 0 H LEU A 69 1.728 3.001 3.186 1.00 0.00 H new ATOM 0 HA LEU A 69 1.763 2.160 0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.387 2.642 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.007 3.801 2.040 1.00 0.00 H new ATOM 0 HG LEU A 69 0.624 5.469 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.243 5.068 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.503 4.001 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.128 3.363 -1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.605 5.886 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.097 4.234 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.681 5.410 1.131 1.00 0.00 H new ATOM 1113 N VAL A 70 3.733 3.559 -0.065 1.00 0.00 N ATOM 1114 CA VAL A 70 4.801 4.447 -0.494 1.00 0.00 C ATOM 1115 C VAL A 70 4.708 4.655 -2.007 1.00 0.00 C ATOM 1116 O VAL A 70 3.895 4.019 -2.676 1.00 0.00 O ATOM 1117 CB VAL A 70 6.154 3.889 -0.049 1.00 0.00 C ATOM 1118 CG1 VAL A 70 6.526 2.643 -0.855 1.00 0.00 C ATOM 1119 CG2 VAL A 70 7.247 4.955 -0.152 1.00 0.00 C ATOM 0 H VAL A 70 3.803 2.605 -0.419 1.00 0.00 H new ATOM 0 HA VAL A 70 4.697 5.425 -0.025 1.00 0.00 H new ATOM 0 HB VAL A 70 6.068 3.597 0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.492 2.267 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.767 1.875 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.585 2.898 -1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.199 4.533 0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.331 5.292 -1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.991 5.801 0.486 1.00 0.00 H new ATOM 1129 N LEU A 71 5.552 5.548 -2.501 1.00 0.00 N ATOM 1130 CA LEU A 71 5.575 5.849 -3.922 1.00 0.00 C ATOM 1131 C LEU A 71 6.469 4.836 -4.639 1.00 0.00 C ATOM 1132 O LEU A 71 6.931 3.871 -4.031 1.00 0.00 O ATOM 1133 CB LEU A 71 5.986 7.304 -4.157 1.00 0.00 C ATOM 1134 CG LEU A 71 4.957 8.364 -3.756 1.00 0.00 C ATOM 1135 CD1 LEU A 71 5.601 9.458 -2.901 1.00 0.00 C ATOM 1136 CD2 LEU A 71 4.253 8.938 -4.987 1.00 0.00 C ATOM 0 H LEU A 71 6.225 6.073 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 71 4.576 5.752 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.908 7.494 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.215 7.430 -5.215 1.00 0.00 H new ATOM 0 HG LEU A 71 4.194 7.884 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.848 10.198 -2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.017 9.015 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.397 9.941 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.527 9.689 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.989 9.398 -5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.740 8.137 -5.519 1.00 0.00 H new ATOM 1148 N ARG A 72 6.687 5.089 -5.922 1.00 0.00 N ATOM 1149 CA ARG A 72 7.517 4.210 -6.728 1.00 0.00 C ATOM 1150 C ARG A 72 8.965 4.704 -6.731 1.00 0.00 C ATOM 1151 O ARG A 72 9.256 5.788 -6.227 1.00 0.00 O ATOM 1152 CB ARG A 72 7.007 4.137 -8.168 1.00 0.00 C ATOM 1153 CG ARG A 72 7.076 2.705 -8.703 1.00 0.00 C ATOM 1154 CD ARG A 72 5.675 2.115 -8.873 1.00 0.00 C ATOM 1155 NE ARG A 72 5.727 0.641 -8.744 1.00 0.00 N ATOM 1156 CZ ARG A 72 6.309 -0.170 -9.640 1.00 0.00 C ATOM 1157 NH1 ARG A 72 6.890 0.344 -10.731 1.00 0.00 N ATOM 1158 NH2 ARG A 72 6.308 -1.496 -9.441 1.00 0.00 N ATOM 0 H ARG A 72 6.303 5.890 -6.423 1.00 0.00 H new ATOM 0 HA ARG A 72 7.470 3.214 -6.288 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.979 4.496 -8.212 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.602 4.795 -8.802 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.597 2.695 -9.660 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.655 2.085 -8.019 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.003 2.530 -8.122 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.272 2.389 -9.848 1.00 0.00 H new ATOM 0 HE ARG A 72 5.294 0.216 -7.924 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.890 1.353 -10.881 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.332 -0.273 -11.412 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.865 -1.887 -8.609 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.750 -2.114 -10.121 1.00 0.00 H new ATOM 1172 N LEU A 73 9.835 3.887 -7.306 1.00 0.00 N ATOM 1173 CA LEU A 73 11.245 4.228 -7.383 1.00 0.00 C ATOM 1174 C LEU A 73 11.463 5.232 -8.517 1.00 0.00 C ATOM 1175 O LEU A 73 11.694 6.414 -8.269 1.00 0.00 O ATOM 1176 CB LEU A 73 12.096 2.963 -7.510 1.00 0.00 C ATOM 1177 CG LEU A 73 12.359 2.197 -6.211 1.00 0.00 C ATOM 1178 CD1 LEU A 73 13.254 3.005 -5.270 1.00 0.00 C ATOM 1179 CD2 LEU A 73 11.046 1.787 -5.542 1.00 0.00 C ATOM 0 H LEU A 73 9.590 2.989 -7.723 1.00 0.00 H new ATOM 0 HA LEU A 73 11.570 4.712 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.607 2.289 -8.213 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.056 3.237 -7.947 1.00 0.00 H new ATOM 0 HG LEU A 73 12.895 1.280 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.425 2.438 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.208 3.204 -5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.767 3.949 -5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.261 1.244 -4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.462 2.678 -5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.478 1.146 -6.217 1.00 0.00 H new ATOM 1191 N ARG A 74 11.380 4.724 -9.738 1.00 0.00 N ATOM 1192 CA ARG A 74 11.565 5.561 -10.910 1.00 0.00 C ATOM 1193 C ARG A 74 10.231 6.178 -11.337 1.00 0.00 C ATOM 1194 O ARG A 74 10.203 7.256 -11.929 1.00 0.00 O ATOM 1195 CB ARG A 74 12.142 4.756 -12.076 1.00 0.00 C ATOM 1196 CG ARG A 74 13.499 5.315 -12.510 1.00 0.00 C ATOM 1197 CD ARG A 74 13.974 4.656 -13.807 1.00 0.00 C ATOM 1198 NE ARG A 74 14.404 5.691 -14.773 1.00 0.00 N ATOM 1199 CZ ARG A 74 13.562 6.439 -15.497 1.00 0.00 C ATOM 1200 NH1 ARG A 74 12.238 6.272 -15.369 1.00 0.00 N ATOM 1201 NH2 ARG A 74 14.042 7.355 -16.350 1.00 0.00 N ATOM 0 H ARG A 74 11.187 3.743 -9.940 1.00 0.00 H new ATOM 0 HA ARG A 74 12.268 6.351 -10.646 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.252 3.712 -11.783 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.449 4.780 -12.917 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.424 6.393 -12.652 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.234 5.148 -11.723 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.800 3.976 -13.598 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.170 4.058 -14.236 1.00 0.00 H new ATOM 0 HE ARG A 74 15.405 5.844 -14.895 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.872 5.575 -14.720 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.596 6.842 -15.920 1.00 0.00 H new ATOM 0 HH21 ARG A 74 15.049 7.482 -16.448 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.400 7.924 -16.901 1.00 0.00 H new ATOM 1215 N GLY A 75 9.158 5.468 -11.019 1.00 0.00 N ATOM 1216 CA GLY A 75 7.825 5.933 -11.363 1.00 0.00 C ATOM 1217 C GLY A 75 6.847 4.762 -11.469 1.00 0.00 C ATOM 1218 O GLY A 75 6.059 4.521 -10.555 1.00 0.00 O ATOM 0 H GLY A 75 9.185 4.575 -10.527 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.475 6.637 -10.608 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.857 6.472 -12.310 1.00 0.00 H new ATOM 1222 N GLY A 76 6.928 4.064 -12.592 1.00 0.00 N ATOM 1223 CA GLY A 76 6.059 2.924 -12.829 1.00 0.00 C ATOM 1224 C GLY A 76 5.477 2.962 -14.244 1.00 0.00 C ATOM 1225 O GLY A 76 4.495 3.659 -14.496 1.00 0.00 O ATOM 0 H GLY A 76 7.582 4.266 -13.348 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.619 2.000 -12.687 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.250 2.921 -12.099 1.00 0.00 H new TER 1229 GLY A 76