USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 630 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 22 THR OG1 : rot 116:sc= 0.17 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.16 K(o=0.33,f=-3.1!) USER MOD Set 2.1: A 11 LYS NZ :NH3+ -156:sc=-0.00357 (180deg=-0.0966) USER MOD Set 2.2: A 33 LYS NZ :NH3+ -134:sc= -0.127 (180deg=-1.67) USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 14 THR OG1 : rot 123:sc= -0.014 USER MOD Single : A 1 MET N :NH3+ 161:sc= -0.753 (180deg=-1.48!) USER MOD Single : A 2 GLN : amide:sc= -1.99 K(o=-2,f=-3.1!) USER MOD Single : A 6 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0646) USER MOD Single : A 7 THR OG1 : rot 120:sc= 0.0762 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0758 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -57:sc= 1.2 USER MOD Single : A 27 LYS NZ :NH3+ 134:sc= 0.134 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc=-0.00167 X(o=-0.0017,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 41 GLN : amide:sc= -3.98 K(o=-4,f=-4.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN :FLIP amide:sc= 1.16 F(o=0,f=1.2) USER MOD Single : A 63 LYS NZ :NH3+ -142:sc= 0.864 (180deg=0.103) USER MOD Single : A 65 SER OG : rot 72:sc=-0.00238 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -2.01 F(o=-2.8!,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.550 6.442 1.626 1.00 0.00 N ATOM 2 CA MET A 1 -14.034 6.447 1.524 1.00 0.00 C ATOM 3 C MET A 1 -14.638 5.127 2.013 1.00 0.00 C ATOM 4 O MET A 1 -15.480 5.122 2.910 1.00 0.00 O ATOM 5 CB MET A 1 -14.438 6.713 0.066 1.00 0.00 C ATOM 6 CG MET A 1 -13.552 6.030 -0.967 1.00 0.00 C ATOM 7 SD MET A 1 -13.487 6.926 -2.530 1.00 0.00 S ATOM 8 CE MET A 1 -12.507 5.802 -3.522 1.00 0.00 C ATOM 0 H1 MET A 1 -12.157 7.183 1.011 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.269 6.625 2.611 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.185 5.515 1.328 1.00 0.00 H new ATOM 0 HA MET A 1 -14.423 7.238 2.165 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.466 6.382 -0.079 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.421 7.788 -0.113 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.543 5.933 -0.567 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.922 5.021 -1.147 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.378 6.217 -4.522 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.531 5.664 -3.058 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.015 4.840 -3.591 1.00 0.00 H new ATOM 20 N GLN A 2 -14.209 4.010 1.423 1.00 0.00 N ATOM 21 CA GLN A 2 -14.721 2.699 1.812 1.00 0.00 C ATOM 22 C GLN A 2 -13.836 2.040 2.874 1.00 0.00 C ATOM 23 O GLN A 2 -14.313 1.220 3.659 1.00 0.00 O ATOM 24 CB GLN A 2 -14.830 1.786 0.587 1.00 0.00 C ATOM 25 CG GLN A 2 -15.867 2.249 -0.424 1.00 0.00 C ATOM 26 CD GLN A 2 -16.561 1.091 -1.119 1.00 0.00 C ATOM 27 OE1 GLN A 2 -15.908 0.173 -1.615 1.00 0.00 O ATOM 28 NE2 GLN A 2 -17.892 1.126 -1.162 1.00 0.00 N ATOM 0 H GLN A 2 -13.512 3.988 0.678 1.00 0.00 H new ATOM 0 HA GLN A 2 -15.711 2.847 2.243 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -13.857 1.730 0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -15.080 0.778 0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.612 2.864 0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.385 2.880 -1.171 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -18.396 1.905 -0.738 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.407 0.373 -1.618 1.00 0.00 H new ATOM 37 N ILE A 3 -12.548 2.391 2.898 1.00 0.00 N ATOM 38 CA ILE A 3 -11.623 1.818 3.869 1.00 0.00 C ATOM 39 C ILE A 3 -10.682 2.882 4.428 1.00 0.00 C ATOM 40 O ILE A 3 -10.697 4.029 3.982 1.00 0.00 O ATOM 41 CB ILE A 3 -10.786 0.686 3.243 1.00 0.00 C ATOM 42 CG1 ILE A 3 -10.006 1.206 2.034 1.00 0.00 C ATOM 43 CG2 ILE A 3 -11.682 -0.477 2.843 1.00 0.00 C ATOM 44 CD1 ILE A 3 -8.585 0.691 1.965 1.00 0.00 C ATOM 0 H ILE A 3 -12.127 3.065 2.259 1.00 0.00 H new ATOM 0 HA ILE A 3 -12.227 1.410 4.680 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.072 0.330 3.985 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.532 0.921 1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.988 2.295 2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.076 -1.269 2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.195 -0.861 3.725 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -12.418 -0.136 2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.092 1.100 1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.043 0.998 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.595 -0.397 1.903 1.00 0.00 H new ATOM 56 N PHE A 4 -9.864 2.499 5.408 1.00 0.00 N ATOM 57 CA PHE A 4 -8.922 3.429 6.020 1.00 0.00 C ATOM 58 C PHE A 4 -7.484 2.957 5.821 1.00 0.00 C ATOM 59 O PHE A 4 -7.042 2.002 6.458 1.00 0.00 O ATOM 60 CB PHE A 4 -9.220 3.579 7.513 1.00 0.00 C ATOM 61 CG PHE A 4 -10.222 4.656 7.819 1.00 0.00 C ATOM 62 CD1 PHE A 4 -11.553 4.504 7.464 1.00 0.00 C ATOM 63 CD2 PHE A 4 -9.832 5.821 8.461 1.00 0.00 C ATOM 64 CE1 PHE A 4 -12.476 5.493 7.744 1.00 0.00 C ATOM 65 CE2 PHE A 4 -10.753 6.814 8.744 1.00 0.00 C ATOM 66 CZ PHE A 4 -12.076 6.649 8.385 1.00 0.00 C ATOM 0 H PHE A 4 -9.836 1.555 5.792 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.038 4.398 5.534 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.590 2.629 7.899 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.291 3.797 8.041 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -11.872 3.602 6.963 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.798 5.955 8.743 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -13.510 5.362 7.462 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.437 7.717 9.245 1.00 0.00 H new ATOM 0 HZ PHE A 4 -12.797 7.423 8.605 1.00 0.00 H new ATOM 76 N VAL A 5 -6.755 3.633 4.933 1.00 0.00 N ATOM 77 CA VAL A 5 -5.369 3.278 4.657 1.00 0.00 C ATOM 78 C VAL A 5 -4.408 4.187 5.417 1.00 0.00 C ATOM 79 O VAL A 5 -4.721 5.348 5.684 1.00 0.00 O ATOM 80 CB VAL A 5 -5.056 3.361 3.152 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.673 2.797 2.862 1.00 0.00 C ATOM 82 CG2 VAL A 5 -6.118 2.632 2.344 1.00 0.00 C ATOM 0 H VAL A 5 -7.103 4.427 4.395 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.233 2.249 4.991 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.064 4.410 2.855 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.469 2.864 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.925 3.369 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.633 1.753 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.879 2.702 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.146 1.584 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.091 3.087 2.528 1.00 0.00 H new ATOM 92 N LYS A 6 -3.236 3.658 5.763 1.00 0.00 N ATOM 93 CA LYS A 6 -2.238 4.432 6.491 1.00 0.00 C ATOM 94 C LYS A 6 -1.073 4.810 5.578 1.00 0.00 C ATOM 95 O LYS A 6 -0.488 3.950 4.917 1.00 0.00 O ATOM 96 CB LYS A 6 -1.727 3.641 7.696 1.00 0.00 C ATOM 97 CG LYS A 6 -2.347 4.076 9.015 1.00 0.00 C ATOM 98 CD LYS A 6 -3.043 2.920 9.717 1.00 0.00 C ATOM 99 CE LYS A 6 -4.357 3.357 10.343 1.00 0.00 C ATOM 100 NZ LYS A 6 -4.168 4.462 11.323 1.00 0.00 N ATOM 0 H LYS A 6 -2.957 2.700 5.551 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.710 5.349 6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.932 2.582 7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.644 3.750 7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.572 4.483 9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.064 4.877 8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.228 2.118 9.003 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.388 2.515 10.489 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.042 3.681 9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.822 2.506 10.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.074 4.672 11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.470 4.176 12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.828 5.311 10.828 1.00 0.00 H new ATOM 114 N THR A 7 -0.746 6.100 5.537 1.00 0.00 N ATOM 115 CA THR A 7 0.343 6.581 4.695 1.00 0.00 C ATOM 116 C THR A 7 1.632 6.783 5.508 1.00 0.00 C ATOM 117 O THR A 7 1.730 6.328 6.647 1.00 0.00 O ATOM 118 CB THR A 7 -0.076 7.872 3.984 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.085 8.968 4.882 1.00 0.00 O ATOM 120 CG2 THR A 7 -1.451 7.775 3.354 1.00 0.00 C ATOM 0 H THR A 7 -1.218 6.827 6.075 1.00 0.00 H new ATOM 0 HA THR A 7 0.557 5.824 3.940 1.00 0.00 H new ATOM 0 HB THR A 7 0.662 8.025 3.197 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.545 9.651 4.571 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.695 8.718 2.865 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.458 6.972 2.617 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.191 7.565 4.126 1.00 0.00 H new ATOM 128 N LEU A 8 2.628 7.445 4.908 1.00 0.00 N ATOM 129 CA LEU A 8 3.911 7.678 5.562 1.00 0.00 C ATOM 130 C LEU A 8 3.764 8.621 6.756 1.00 0.00 C ATOM 131 O LEU A 8 4.381 8.413 7.799 1.00 0.00 O ATOM 132 CB LEU A 8 4.942 8.195 4.537 1.00 0.00 C ATOM 133 CG LEU A 8 4.998 9.715 4.345 1.00 0.00 C ATOM 134 CD1 LEU A 8 6.396 10.146 3.929 1.00 0.00 C ATOM 135 CD2 LEU A 8 3.975 10.155 3.309 1.00 0.00 C ATOM 0 H LEU A 8 2.564 7.829 3.965 1.00 0.00 H new ATOM 0 HA LEU A 8 4.278 6.731 5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.931 7.851 4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.727 7.735 3.572 1.00 0.00 H new ATOM 0 HG LEU A 8 4.758 10.194 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.419 11.228 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.110 9.860 4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.662 9.660 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.026 11.237 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.189 9.669 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.976 9.876 3.643 1.00 0.00 H new ATOM 147 N THR A 9 2.941 9.660 6.599 1.00 0.00 N ATOM 148 CA THR A 9 2.722 10.621 7.672 1.00 0.00 C ATOM 149 C THR A 9 1.300 10.512 8.227 1.00 0.00 C ATOM 150 O THR A 9 0.655 11.522 8.506 1.00 0.00 O ATOM 151 CB THR A 9 2.985 12.047 7.183 1.00 0.00 C ATOM 152 OG1 THR A 9 2.651 12.182 5.807 1.00 0.00 O ATOM 153 CG2 THR A 9 4.424 12.488 7.366 1.00 0.00 C ATOM 0 H THR A 9 2.420 9.853 5.744 1.00 0.00 H new ATOM 0 HA THR A 9 3.424 10.389 8.473 1.00 0.00 H new ATOM 0 HB THR A 9 2.351 12.685 7.799 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.825 13.102 5.517 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.542 13.508 6.999 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.684 12.451 8.424 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.082 11.823 6.807 1.00 0.00 H new ATOM 161 N GLY A 10 0.815 9.279 8.391 1.00 0.00 N ATOM 162 CA GLY A 10 -0.523 9.068 8.920 1.00 0.00 C ATOM 163 C GLY A 10 -1.572 9.943 8.253 1.00 0.00 C ATOM 164 O GLY A 10 -2.440 10.499 8.925 1.00 0.00 O ATOM 0 H GLY A 10 1.326 8.425 8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.797 8.021 8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.519 9.268 9.992 1.00 0.00 H new ATOM 168 N LYS A 11 -1.494 10.069 6.929 1.00 0.00 N ATOM 169 CA LYS A 11 -2.449 10.884 6.185 1.00 0.00 C ATOM 170 C LYS A 11 -3.717 10.090 5.872 1.00 0.00 C ATOM 171 O LYS A 11 -3.723 8.862 5.951 1.00 0.00 O ATOM 172 CB LYS A 11 -1.822 11.397 4.885 1.00 0.00 C ATOM 173 CG LYS A 11 -0.582 12.247 5.104 1.00 0.00 C ATOM 174 CD LYS A 11 0.180 12.465 3.808 1.00 0.00 C ATOM 175 CE LYS A 11 -0.626 13.293 2.820 1.00 0.00 C ATOM 176 NZ LYS A 11 -1.326 12.440 1.820 1.00 0.00 N ATOM 0 H LYS A 11 -0.782 9.619 6.353 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.718 11.737 6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.563 10.546 4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.563 11.983 4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.870 13.211 5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.068 11.763 5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.124 12.967 4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.425 11.501 3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.358 13.893 3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.036 13.988 2.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.514 12.995 0.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.728 11.624 1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.226 12.104 2.219 1.00 0.00 H new ATOM 190 N THR A 12 -4.789 10.797 5.516 1.00 0.00 N ATOM 191 CA THR A 12 -6.055 10.150 5.193 1.00 0.00 C ATOM 192 C THR A 12 -6.276 10.109 3.682 1.00 0.00 C ATOM 193 O THR A 12 -6.364 11.151 3.033 1.00 0.00 O ATOM 194 CB THR A 12 -7.215 10.886 5.869 1.00 0.00 C ATOM 195 OG1 THR A 12 -6.824 11.392 7.137 1.00 0.00 O ATOM 196 CG2 THR A 12 -8.438 10.017 6.074 1.00 0.00 C ATOM 0 H THR A 12 -4.804 11.814 5.445 1.00 0.00 H new ATOM 0 HA THR A 12 -6.016 9.126 5.565 1.00 0.00 H new ATOM 0 HB THR A 12 -7.476 11.696 5.188 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.580 11.860 7.550 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.222 10.600 6.557 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.795 9.658 5.109 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.178 9.166 6.704 1.00 0.00 H new ATOM 204 N ILE A 13 -6.365 8.902 3.124 1.00 0.00 N ATOM 205 CA ILE A 13 -6.574 8.740 1.689 1.00 0.00 C ATOM 206 C ILE A 13 -7.798 7.871 1.404 1.00 0.00 C ATOM 207 O ILE A 13 -8.228 7.093 2.255 1.00 0.00 O ATOM 208 CB ILE A 13 -5.338 8.123 1.002 1.00 0.00 C ATOM 209 CG1 ILE A 13 -5.105 6.688 1.486 1.00 0.00 C ATOM 210 CG2 ILE A 13 -4.108 8.979 1.264 1.00 0.00 C ATOM 211 CD1 ILE A 13 -5.881 5.653 0.701 1.00 0.00 C ATOM 0 H ILE A 13 -6.296 8.027 3.643 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.740 9.737 1.280 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.522 8.093 -0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.041 6.459 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.383 6.618 2.538 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.243 8.533 0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.272 9.982 0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.927 9.037 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.668 4.660 1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.948 5.857 0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.586 5.695 -0.348 1.00 0.00 H new ATOM 223 N THR A 14 -8.357 8.007 0.202 1.00 0.00 N ATOM 224 CA THR A 14 -9.530 7.231 -0.187 1.00 0.00 C ATOM 225 C THR A 14 -9.134 6.058 -1.081 1.00 0.00 C ATOM 226 O THR A 14 -8.432 6.236 -2.076 1.00 0.00 O ATOM 227 CB THR A 14 -10.545 8.119 -0.914 1.00 0.00 C ATOM 228 OG1 THR A 14 -10.197 8.273 -2.282 1.00 0.00 O ATOM 229 CG2 THR A 14 -10.676 9.504 -0.311 1.00 0.00 C ATOM 0 H THR A 14 -8.016 8.646 -0.516 1.00 0.00 H new ATOM 0 HA THR A 14 -9.988 6.838 0.721 1.00 0.00 H new ATOM 0 HB THR A 14 -11.500 7.605 -0.808 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.940 7.971 -2.845 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.411 10.078 -0.875 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.000 9.420 0.726 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.712 10.011 -0.350 1.00 0.00 H new ATOM 237 N LEU A 15 -9.585 4.857 -0.721 1.00 0.00 N ATOM 238 CA LEU A 15 -9.271 3.663 -1.498 1.00 0.00 C ATOM 239 C LEU A 15 -10.528 2.833 -1.755 1.00 0.00 C ATOM 240 O LEU A 15 -11.415 2.756 -0.905 1.00 0.00 O ATOM 241 CB LEU A 15 -8.222 2.818 -0.768 1.00 0.00 C ATOM 242 CG LEU A 15 -6.952 2.532 -1.569 1.00 0.00 C ATOM 243 CD1 LEU A 15 -7.254 1.603 -2.735 1.00 0.00 C ATOM 244 CD2 LEU A 15 -6.331 3.830 -2.066 1.00 0.00 C ATOM 0 H LEU A 15 -10.166 4.687 0.100 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.867 3.979 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.945 3.328 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.676 1.869 -0.484 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.236 2.037 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.338 1.411 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.653 0.662 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.988 2.070 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.428 3.607 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.042 4.352 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.077 4.461 -1.214 1.00 0.00 H new ATOM 256 N GLU A 16 -10.599 2.211 -2.931 1.00 0.00 N ATOM 257 CA GLU A 16 -11.749 1.389 -3.291 1.00 0.00 C ATOM 258 C GLU A 16 -11.439 -0.094 -3.097 1.00 0.00 C ATOM 259 O GLU A 16 -10.275 -0.484 -3.003 1.00 0.00 O ATOM 260 CB GLU A 16 -12.157 1.652 -4.741 1.00 0.00 C ATOM 261 CG GLU A 16 -13.600 1.283 -5.045 1.00 0.00 C ATOM 262 CD GLU A 16 -14.267 2.267 -5.985 1.00 0.00 C ATOM 263 OE1 GLU A 16 -13.957 2.236 -7.195 1.00 0.00 O ATOM 264 OE2 GLU A 16 -15.100 3.068 -5.513 1.00 0.00 O ATOM 0 H GLU A 16 -9.875 2.261 -3.648 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.577 1.658 -2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.006 2.708 -4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.500 1.088 -5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.631 0.287 -5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.164 1.237 -4.113 1.00 0.00 H new ATOM 271 N VAL A 17 -12.484 -0.917 -3.037 1.00 0.00 N ATOM 272 CA VAL A 17 -12.311 -2.354 -2.853 1.00 0.00 C ATOM 273 C VAL A 17 -13.111 -3.141 -3.888 1.00 0.00 C ATOM 274 O VAL A 17 -14.331 -3.264 -3.779 1.00 0.00 O ATOM 275 CB VAL A 17 -12.741 -2.796 -1.443 1.00 0.00 C ATOM 276 CG1 VAL A 17 -12.378 -4.254 -1.205 1.00 0.00 C ATOM 277 CG2 VAL A 17 -12.108 -1.902 -0.386 1.00 0.00 C ATOM 0 H VAL A 17 -13.455 -0.614 -3.113 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.249 -2.564 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.824 -2.699 -1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -12.690 -4.548 -0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.884 -4.880 -1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.300 -4.381 -1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.424 -2.230 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.022 -1.964 -0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -12.424 -0.871 -0.545 1.00 0.00 H new ATOM 287 N GLU A 18 -12.418 -3.674 -4.893 1.00 0.00 N ATOM 288 CA GLU A 18 -13.067 -4.450 -5.943 1.00 0.00 C ATOM 289 C GLU A 18 -12.822 -5.943 -5.739 1.00 0.00 C ATOM 290 O GLU A 18 -11.859 -6.337 -5.082 1.00 0.00 O ATOM 291 CB GLU A 18 -12.547 -4.017 -7.317 1.00 0.00 C ATOM 292 CG GLU A 18 -11.060 -4.262 -7.510 1.00 0.00 C ATOM 293 CD GLU A 18 -10.619 -4.066 -8.948 1.00 0.00 C ATOM 294 OE1 GLU A 18 -10.911 -2.994 -9.517 1.00 0.00 O ATOM 295 OE2 GLU A 18 -9.982 -4.986 -9.504 1.00 0.00 O ATOM 0 H GLU A 18 -11.408 -3.582 -5.000 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.140 -4.265 -5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.098 -4.553 -8.090 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.753 -2.956 -7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.497 -3.586 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.819 -5.277 -7.195 1.00 0.00 H new ATOM 302 N PRO A 19 -13.692 -6.799 -6.301 1.00 0.00 N ATOM 303 CA PRO A 19 -13.562 -8.253 -6.176 1.00 0.00 C ATOM 304 C PRO A 19 -12.157 -8.739 -6.528 1.00 0.00 C ATOM 305 O PRO A 19 -11.494 -9.384 -5.715 1.00 0.00 O ATOM 306 CB PRO A 19 -14.591 -8.807 -7.175 1.00 0.00 C ATOM 307 CG PRO A 19 -15.053 -7.633 -7.976 1.00 0.00 C ATOM 308 CD PRO A 19 -14.867 -6.430 -7.100 1.00 0.00 C ATOM 0 HA PRO A 19 -13.733 -8.586 -5.152 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.144 -9.566 -7.816 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.425 -9.279 -6.656 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.476 -7.538 -8.896 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.098 -7.746 -8.266 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.694 -5.526 -7.683 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.741 -6.244 -6.475 1.00 0.00 H new ATOM 316 N SER A 20 -11.705 -8.426 -7.743 1.00 0.00 N ATOM 317 CA SER A 20 -10.374 -8.834 -8.194 1.00 0.00 C ATOM 318 C SER A 20 -9.305 -7.784 -7.865 1.00 0.00 C ATOM 319 O SER A 20 -8.376 -7.581 -8.647 1.00 0.00 O ATOM 320 CB SER A 20 -10.386 -9.107 -9.700 1.00 0.00 C ATOM 321 OG SER A 20 -9.097 -9.473 -10.163 1.00 0.00 O ATOM 0 H SER A 20 -12.239 -7.893 -8.430 1.00 0.00 H new ATOM 0 HA SER A 20 -10.117 -9.747 -7.657 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.095 -9.904 -9.923 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.728 -8.219 -10.231 1.00 0.00 H new ATOM 0 HG SER A 20 -8.456 -8.767 -9.937 1.00 0.00 H new ATOM 327 N ASP A 21 -9.425 -7.120 -6.713 1.00 0.00 N ATOM 328 CA ASP A 21 -8.449 -6.105 -6.321 1.00 0.00 C ATOM 329 C ASP A 21 -7.150 -6.752 -5.846 1.00 0.00 C ATOM 330 O ASP A 21 -7.094 -7.323 -4.757 1.00 0.00 O ATOM 331 CB ASP A 21 -9.014 -5.208 -5.218 1.00 0.00 C ATOM 332 CG ASP A 21 -8.363 -3.839 -5.194 1.00 0.00 C ATOM 333 OD1 ASP A 21 -7.224 -3.715 -5.691 1.00 0.00 O ATOM 334 OD2 ASP A 21 -8.991 -2.890 -4.680 1.00 0.00 O ATOM 0 H ASP A 21 -10.180 -7.266 -6.043 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.235 -5.494 -7.198 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.088 -5.094 -5.362 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.871 -5.692 -4.252 1.00 0.00 H new ATOM 339 N THR A 22 -6.104 -6.657 -6.665 1.00 0.00 N ATOM 340 CA THR A 22 -4.809 -7.234 -6.314 1.00 0.00 C ATOM 341 C THR A 22 -3.996 -6.264 -5.458 1.00 0.00 C ATOM 342 O THR A 22 -4.235 -5.057 -5.480 1.00 0.00 O ATOM 343 CB THR A 22 -4.023 -7.597 -7.578 1.00 0.00 C ATOM 344 OG1 THR A 22 -4.894 -8.043 -8.608 1.00 0.00 O ATOM 345 CG2 THR A 22 -2.986 -8.678 -7.349 1.00 0.00 C ATOM 0 H THR A 22 -6.128 -6.189 -7.571 1.00 0.00 H new ATOM 0 HA THR A 22 -4.990 -8.141 -5.737 1.00 0.00 H new ATOM 0 HB THR A 22 -3.511 -6.680 -7.869 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.854 -7.419 -9.363 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.466 -8.887 -8.284 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.268 -8.341 -6.602 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.477 -9.585 -6.997 1.00 0.00 H new ATOM 353 N ILE A 23 -3.033 -6.796 -4.706 1.00 0.00 N ATOM 354 CA ILE A 23 -2.191 -5.965 -3.850 1.00 0.00 C ATOM 355 C ILE A 23 -1.317 -5.025 -4.685 1.00 0.00 C ATOM 356 O ILE A 23 -1.042 -3.898 -4.276 1.00 0.00 O ATOM 357 CB ILE A 23 -1.288 -6.820 -2.932 1.00 0.00 C ATOM 358 CG1 ILE A 23 -2.141 -7.744 -2.062 1.00 0.00 C ATOM 359 CG2 ILE A 23 -0.412 -5.929 -2.061 1.00 0.00 C ATOM 360 CD1 ILE A 23 -1.420 -9.003 -1.632 1.00 0.00 C ATOM 0 H ILE A 23 -2.818 -7.793 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.862 -5.375 -3.226 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.639 -7.432 -3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.464 -7.199 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.041 -8.020 -2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.216 -6.549 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.219 -5.307 -2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.043 -5.292 -1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.084 -9.611 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.120 -9.570 -2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.535 -8.736 -1.054 1.00 0.00 H new ATOM 372 N GLU A 24 -0.883 -5.492 -5.856 1.00 0.00 N ATOM 373 CA GLU A 24 -0.045 -4.679 -6.735 1.00 0.00 C ATOM 374 C GLU A 24 -0.870 -3.604 -7.445 1.00 0.00 C ATOM 375 O GLU A 24 -0.374 -2.509 -7.710 1.00 0.00 O ATOM 376 CB GLU A 24 0.664 -5.559 -7.769 1.00 0.00 C ATOM 377 CG GLU A 24 2.054 -5.067 -8.135 1.00 0.00 C ATOM 378 CD GLU A 24 2.440 -5.418 -9.560 1.00 0.00 C ATOM 379 OE1 GLU A 24 1.913 -6.419 -10.088 1.00 0.00 O ATOM 380 OE2 GLU A 24 3.270 -4.691 -10.145 1.00 0.00 O ATOM 0 H GLU A 24 -1.096 -6.422 -6.215 1.00 0.00 H new ATOM 0 HA GLU A 24 0.704 -4.186 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.738 -6.575 -7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.055 -5.607 -8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.098 -3.986 -8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.781 -5.500 -7.448 1.00 0.00 H new ATOM 387 N ASN A 25 -2.130 -3.919 -7.755 1.00 0.00 N ATOM 388 CA ASN A 25 -3.006 -2.967 -8.437 1.00 0.00 C ATOM 389 C ASN A 25 -3.240 -1.724 -7.579 1.00 0.00 C ATOM 390 O ASN A 25 -3.235 -0.603 -8.087 1.00 0.00 O ATOM 391 CB ASN A 25 -4.347 -3.620 -8.782 1.00 0.00 C ATOM 392 CG ASN A 25 -4.304 -4.373 -10.099 1.00 0.00 C ATOM 393 OD1 ASN A 25 -4.008 -5.567 -10.132 1.00 0.00 O ATOM 394 ND2 ASN A 25 -4.598 -3.679 -11.197 1.00 0.00 N ATOM 0 H ASN A 25 -2.563 -4.819 -7.546 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.511 -2.663 -9.360 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.629 -4.306 -7.984 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.119 -2.853 -8.831 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.583 -4.136 -12.109 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.838 -2.690 -11.126 1.00 0.00 H new ATOM 401 N VAL A 26 -3.445 -1.926 -6.277 1.00 0.00 N ATOM 402 CA VAL A 26 -3.679 -0.810 -5.364 1.00 0.00 C ATOM 403 C VAL A 26 -2.461 0.113 -5.278 1.00 0.00 C ATOM 404 O VAL A 26 -2.591 1.287 -4.932 1.00 0.00 O ATOM 405 CB VAL A 26 -4.037 -1.299 -3.945 1.00 0.00 C ATOM 406 CG1 VAL A 26 -5.333 -2.095 -3.965 1.00 0.00 C ATOM 407 CG2 VAL A 26 -2.902 -2.130 -3.362 1.00 0.00 C ATOM 0 H VAL A 26 -3.454 -2.845 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.522 -0.253 -5.773 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.182 -0.427 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.569 -2.431 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.141 -1.465 -4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.219 -2.960 -4.618 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.174 -2.465 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.721 -2.996 -3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.998 -1.524 -3.309 1.00 0.00 H new ATOM 417 N LYS A 27 -1.276 -0.417 -5.594 1.00 0.00 N ATOM 418 CA LYS A 27 -0.049 0.377 -5.544 1.00 0.00 C ATOM 419 C LYS A 27 -0.166 1.631 -6.412 1.00 0.00 C ATOM 420 O LYS A 27 0.355 2.688 -6.056 1.00 0.00 O ATOM 421 CB LYS A 27 1.151 -0.458 -6.001 1.00 0.00 C ATOM 422 CG LYS A 27 2.455 -0.074 -5.319 1.00 0.00 C ATOM 423 CD LYS A 27 3.345 -1.286 -5.096 1.00 0.00 C ATOM 424 CE LYS A 27 4.033 -1.231 -3.742 1.00 0.00 C ATOM 425 NZ LYS A 27 5.431 -0.730 -3.849 1.00 0.00 N ATOM 0 H LYS A 27 -1.142 -1.385 -5.885 1.00 0.00 H new ATOM 0 HA LYS A 27 0.103 0.685 -4.510 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.945 -1.511 -5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.269 -0.350 -7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.983 0.659 -5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.240 0.402 -4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.747 -2.195 -5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.096 -1.337 -5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.466 -0.584 -3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.037 -2.226 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.602 -0.018 -3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.094 -1.522 -3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.575 -0.299 -4.785 1.00 0.00 H new ATOM 439 N ALA A 28 -0.847 1.513 -7.553 1.00 0.00 N ATOM 440 CA ALA A 28 -1.017 2.648 -8.457 1.00 0.00 C ATOM 441 C ALA A 28 -1.696 3.820 -7.750 1.00 0.00 C ATOM 442 O ALA A 28 -1.266 4.966 -7.881 1.00 0.00 O ATOM 443 CB ALA A 28 -1.817 2.240 -9.688 1.00 0.00 C ATOM 0 H ALA A 28 -1.286 0.649 -7.870 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.026 2.971 -8.775 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.932 3.100 -10.348 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.291 1.445 -10.216 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.800 1.884 -9.381 1.00 0.00 H new ATOM 449 N LYS A 29 -2.759 3.530 -7.001 1.00 0.00 N ATOM 450 CA LYS A 29 -3.487 4.571 -6.277 1.00 0.00 C ATOM 451 C LYS A 29 -2.597 5.217 -5.216 1.00 0.00 C ATOM 452 O LYS A 29 -2.603 6.437 -5.051 1.00 0.00 O ATOM 453 CB LYS A 29 -4.744 3.993 -5.620 1.00 0.00 C ATOM 454 CG LYS A 29 -5.891 3.769 -6.593 1.00 0.00 C ATOM 455 CD LYS A 29 -7.222 3.649 -5.868 1.00 0.00 C ATOM 456 CE LYS A 29 -8.380 4.077 -6.754 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.816 5.471 -6.463 1.00 0.00 N ATOM 0 H LYS A 29 -3.133 2.589 -6.880 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.784 5.334 -6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.492 3.045 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.075 4.668 -4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.935 4.596 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.707 2.863 -7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.370 2.618 -5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.204 4.264 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.084 4.000 -7.800 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.219 3.396 -6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.607 5.725 -7.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.122 5.539 -5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.023 6.124 -6.626 1.00 0.00 H new ATOM 471 N ILE A 30 -1.832 4.394 -4.500 1.00 0.00 N ATOM 472 CA ILE A 30 -0.937 4.895 -3.460 1.00 0.00 C ATOM 473 C ILE A 30 0.304 5.560 -4.062 1.00 0.00 C ATOM 474 O ILE A 30 0.898 6.447 -3.449 1.00 0.00 O ATOM 475 CB ILE A 30 -0.490 3.770 -2.504 1.00 0.00 C ATOM 476 CG1 ILE A 30 -1.704 2.995 -1.983 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.311 4.343 -1.346 1.00 0.00 C ATOM 478 CD1 ILE A 30 -2.752 3.874 -1.333 1.00 0.00 C ATOM 0 H ILE A 30 -1.814 3.381 -4.621 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.503 5.636 -2.896 1.00 0.00 H new ATOM 0 HB ILE A 30 0.148 3.081 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.160 2.452 -2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.367 2.251 -1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.618 3.536 -0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.194 4.852 -1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.305 5.053 -0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.582 3.257 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.312 4.398 -0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.118 4.601 -2.058 1.00 0.00 H new ATOM 490 N GLN A 31 0.695 5.129 -5.264 1.00 0.00 N ATOM 491 CA GLN A 31 1.868 5.691 -5.935 1.00 0.00 C ATOM 492 C GLN A 31 1.671 7.168 -6.298 1.00 0.00 C ATOM 493 O GLN A 31 2.642 7.870 -6.582 1.00 0.00 O ATOM 494 CB GLN A 31 2.197 4.891 -7.198 1.00 0.00 C ATOM 495 CG GLN A 31 3.491 5.319 -7.869 1.00 0.00 C ATOM 496 CD GLN A 31 4.110 4.213 -8.706 1.00 0.00 C ATOM 497 OE1 GLN A 31 4.112 4.279 -9.935 1.00 0.00 O ATOM 498 NE2 GLN A 31 4.640 3.185 -8.044 1.00 0.00 N ATOM 0 H GLN A 31 0.219 4.396 -5.790 1.00 0.00 H new ATOM 0 HA GLN A 31 2.700 5.625 -5.233 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.263 3.834 -6.941 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.377 4.996 -7.908 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.298 6.184 -8.503 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.204 5.635 -7.107 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.618 3.169 -7.024 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.068 2.414 -8.557 1.00 0.00 H new ATOM 507 N ASP A 32 0.422 7.641 -6.297 1.00 0.00 N ATOM 508 CA ASP A 32 0.136 9.035 -6.639 1.00 0.00 C ATOM 509 C ASP A 32 1.018 10.002 -5.846 1.00 0.00 C ATOM 510 O ASP A 32 1.384 11.065 -6.349 1.00 0.00 O ATOM 511 CB ASP A 32 -1.339 9.358 -6.385 1.00 0.00 C ATOM 512 CG ASP A 32 -1.715 10.751 -6.852 1.00 0.00 C ATOM 513 OD1 ASP A 32 -1.058 11.720 -6.420 1.00 0.00 O ATOM 514 OD2 ASP A 32 -2.668 10.872 -7.652 1.00 0.00 O ATOM 0 H ASP A 32 -0.400 7.084 -6.065 1.00 0.00 H new ATOM 0 HA ASP A 32 0.357 9.162 -7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.962 8.625 -6.898 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.550 9.266 -5.320 1.00 0.00 H new ATOM 519 N LYS A 33 1.366 9.638 -4.611 1.00 0.00 N ATOM 520 CA LYS A 33 2.210 10.493 -3.782 1.00 0.00 C ATOM 521 C LYS A 33 3.692 10.249 -4.071 1.00 0.00 C ATOM 522 O LYS A 33 4.511 11.159 -3.944 1.00 0.00 O ATOM 523 CB LYS A 33 1.918 10.276 -2.291 1.00 0.00 C ATOM 524 CG LYS A 33 1.944 8.818 -1.859 1.00 0.00 C ATOM 525 CD LYS A 33 2.434 8.668 -0.429 1.00 0.00 C ATOM 526 CE LYS A 33 1.488 9.335 0.558 1.00 0.00 C ATOM 527 NZ LYS A 33 1.879 10.743 0.839 1.00 0.00 N ATOM 0 H LYS A 33 1.079 8.765 -4.168 1.00 0.00 H new ATOM 0 HA LYS A 33 1.976 11.528 -4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.650 10.831 -1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.939 10.695 -2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.944 8.393 -1.948 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.592 8.251 -2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.529 7.610 -0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.427 9.107 -0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.474 9.313 0.160 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.477 8.769 1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.845 10.915 1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.845 10.911 0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.221 11.389 0.358 1.00 0.00 H new ATOM 541 N GLU A 34 4.036 9.018 -4.455 1.00 0.00 N ATOM 542 CA GLU A 34 5.421 8.672 -4.754 1.00 0.00 C ATOM 543 C GLU A 34 6.289 8.766 -3.499 1.00 0.00 C ATOM 544 O GLU A 34 7.495 8.992 -3.587 1.00 0.00 O ATOM 545 CB GLU A 34 5.979 9.588 -5.847 1.00 0.00 C ATOM 546 CG GLU A 34 5.984 8.953 -7.227 1.00 0.00 C ATOM 547 CD GLU A 34 4.662 9.123 -7.952 1.00 0.00 C ATOM 548 OE1 GLU A 34 3.915 10.062 -7.609 1.00 0.00 O ATOM 549 OE2 GLU A 34 4.376 8.316 -8.861 1.00 0.00 O ATOM 0 H GLU A 34 3.375 8.249 -4.565 1.00 0.00 H new ATOM 0 HA GLU A 34 5.441 7.643 -5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.388 10.503 -5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.997 9.875 -5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.781 9.396 -7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.209 7.891 -7.133 1.00 0.00 H new ATOM 556 N GLY A 35 5.669 8.594 -2.330 1.00 0.00 N ATOM 557 CA GLY A 35 6.412 8.669 -1.085 1.00 0.00 C ATOM 558 C GLY A 35 6.508 7.330 -0.370 1.00 0.00 C ATOM 559 O GLY A 35 7.591 6.932 0.062 1.00 0.00 O ATOM 0 H GLY A 35 4.672 8.405 -2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.417 9.039 -1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.934 9.393 -0.426 1.00 0.00 H new ATOM 563 N ILE A 36 5.376 6.639 -0.229 1.00 0.00 N ATOM 564 CA ILE A 36 5.349 5.349 0.456 1.00 0.00 C ATOM 565 C ILE A 36 5.724 4.161 -0.450 1.00 0.00 C ATOM 566 O ILE A 36 6.176 3.132 0.053 1.00 0.00 O ATOM 567 CB ILE A 36 3.968 5.082 1.092 1.00 0.00 C ATOM 568 CG1 ILE A 36 4.054 3.904 2.067 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.921 4.820 0.019 1.00 0.00 C ATOM 570 CD1 ILE A 36 2.721 3.513 2.668 1.00 0.00 C ATOM 0 H ILE A 36 4.470 6.951 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 36 6.111 5.423 1.232 1.00 0.00 H new ATOM 0 HB ILE A 36 3.664 5.970 1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.474 3.043 1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.744 4.159 2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.956 4.634 0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.845 5.689 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.212 3.949 -0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.861 2.672 3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.307 4.359 3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.033 3.226 1.872 1.00 0.00 H new ATOM 582 N PRO A 37 5.547 4.261 -1.788 1.00 0.00 N ATOM 583 CA PRO A 37 5.876 3.162 -2.709 1.00 0.00 C ATOM 584 C PRO A 37 7.204 2.469 -2.394 1.00 0.00 C ATOM 585 O PRO A 37 7.292 1.244 -2.472 1.00 0.00 O ATOM 586 CB PRO A 37 5.940 3.858 -4.065 1.00 0.00 C ATOM 587 CG PRO A 37 4.948 4.960 -3.949 1.00 0.00 C ATOM 588 CD PRO A 37 5.009 5.428 -2.519 1.00 0.00 C ATOM 0 HA PRO A 37 5.142 2.359 -2.648 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.940 4.240 -4.271 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.686 3.176 -4.876 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.186 5.773 -4.635 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.947 4.611 -4.203 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.654 6.300 -2.411 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.024 5.712 -2.149 1.00 0.00 H new ATOM 596 N PRO A 38 8.261 3.233 -2.047 1.00 0.00 N ATOM 597 CA PRO A 38 9.581 2.660 -1.733 1.00 0.00 C ATOM 598 C PRO A 38 9.511 1.567 -0.654 1.00 0.00 C ATOM 599 O PRO A 38 8.525 0.838 -0.565 1.00 0.00 O ATOM 600 CB PRO A 38 10.379 3.873 -1.242 1.00 0.00 C ATOM 601 CG PRO A 38 9.730 5.037 -1.900 1.00 0.00 C ATOM 602 CD PRO A 38 8.267 4.706 -1.945 1.00 0.00 C ATOM 0 HA PRO A 38 10.028 2.161 -2.593 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.342 3.959 -0.156 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.430 3.795 -1.520 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.908 5.955 -1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.128 5.194 -2.902 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.748 5.050 -1.051 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.774 5.171 -2.799 1.00 0.00 H new ATOM 610 N ASP A 39 10.564 1.446 0.163 1.00 0.00 N ATOM 611 CA ASP A 39 10.603 0.428 1.215 1.00 0.00 C ATOM 612 C ASP A 39 9.586 0.689 2.338 1.00 0.00 C ATOM 613 O ASP A 39 9.458 -0.127 3.252 1.00 0.00 O ATOM 614 CB ASP A 39 12.010 0.335 1.813 1.00 0.00 C ATOM 615 CG ASP A 39 12.887 -0.656 1.073 1.00 0.00 C ATOM 616 OD1 ASP A 39 12.582 -0.958 -0.099 1.00 0.00 O ATOM 617 OD2 ASP A 39 13.879 -1.130 1.667 1.00 0.00 O ATOM 0 H ASP A 39 11.394 2.037 0.115 1.00 0.00 H new ATOM 0 HA ASP A 39 10.332 -0.516 0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.478 1.319 1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.938 0.042 2.860 1.00 0.00 H new ATOM 622 N GLN A 40 8.864 1.812 2.286 1.00 0.00 N ATOM 623 CA GLN A 40 7.884 2.123 3.323 1.00 0.00 C ATOM 624 C GLN A 40 6.493 1.571 2.979 1.00 0.00 C ATOM 625 O GLN A 40 5.570 1.678 3.785 1.00 0.00 O ATOM 626 CB GLN A 40 7.800 3.636 3.539 1.00 0.00 C ATOM 627 CG GLN A 40 9.157 4.315 3.622 1.00 0.00 C ATOM 628 CD GLN A 40 9.050 5.806 3.887 1.00 0.00 C ATOM 629 OE1 GLN A 40 8.063 6.274 4.453 1.00 0.00 O ATOM 630 NE2 GLN A 40 10.068 6.562 3.481 1.00 0.00 N ATOM 0 H GLN A 40 8.940 2.510 1.547 1.00 0.00 H new ATOM 0 HA GLN A 40 8.219 1.641 4.241 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.230 4.080 2.723 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.248 3.833 4.458 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.743 3.850 4.415 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.697 4.154 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.868 6.133 3.015 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.048 7.570 3.636 1.00 0.00 H new ATOM 639 N GLN A 41 6.341 0.980 1.791 1.00 0.00 N ATOM 640 CA GLN A 41 5.053 0.422 1.384 1.00 0.00 C ATOM 641 C GLN A 41 4.963 -1.062 1.739 1.00 0.00 C ATOM 642 O GLN A 41 5.326 -1.921 0.936 1.00 0.00 O ATOM 643 CB GLN A 41 4.832 0.612 -0.120 1.00 0.00 C ATOM 644 CG GLN A 41 3.631 1.485 -0.453 1.00 0.00 C ATOM 645 CD GLN A 41 2.486 0.699 -1.065 1.00 0.00 C ATOM 646 OE1 GLN A 41 2.092 0.946 -2.204 1.00 0.00 O ATOM 647 NE2 GLN A 41 1.941 -0.253 -0.311 1.00 0.00 N ATOM 0 H GLN A 41 7.086 0.877 1.102 1.00 0.00 H new ATOM 0 HA GLN A 41 4.273 0.957 1.926 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.726 1.056 -0.557 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.701 -0.365 -0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.283 1.978 0.455 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.938 2.269 -1.145 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.298 -0.426 0.629 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.167 -0.810 -0.673 1.00 0.00 H new ATOM 656 N ARG A 42 4.477 -1.359 2.943 1.00 0.00 N ATOM 657 CA ARG A 42 4.343 -2.742 3.389 1.00 0.00 C ATOM 658 C ARG A 42 3.089 -2.922 4.244 1.00 0.00 C ATOM 659 O ARG A 42 2.637 -1.985 4.899 1.00 0.00 O ATOM 660 CB ARG A 42 5.580 -3.169 4.181 1.00 0.00 C ATOM 661 CG ARG A 42 5.940 -4.636 4.002 1.00 0.00 C ATOM 662 CD ARG A 42 5.716 -5.431 5.279 1.00 0.00 C ATOM 663 NE ARG A 42 6.970 -5.765 5.955 1.00 0.00 N ATOM 664 CZ ARG A 42 7.057 -6.074 7.248 1.00 0.00 C ATOM 665 NH1 ARG A 42 5.968 -6.096 8.008 1.00 0.00 N ATOM 666 NH2 ARG A 42 8.235 -6.365 7.785 1.00 0.00 N ATOM 0 H ARG A 42 4.171 -0.663 3.623 1.00 0.00 H new ATOM 0 HA ARG A 42 4.251 -3.373 2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.427 -2.555 3.875 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.410 -2.972 5.239 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.340 -5.062 3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.984 -4.720 3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.084 -4.856 5.956 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.178 -6.349 5.043 1.00 0.00 H new ATOM 0 HE ARG A 42 7.828 -5.761 5.404 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.058 -5.876 7.602 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.041 -6.333 8.997 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.076 -6.352 7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.300 -6.601 8.775 1.00 0.00 H new ATOM 680 N LEU A 43 2.532 -4.133 4.234 1.00 0.00 N ATOM 681 CA LEU A 43 1.334 -4.426 5.012 1.00 0.00 C ATOM 682 C LEU A 43 1.667 -5.315 6.209 1.00 0.00 C ATOM 683 O LEU A 43 2.506 -6.211 6.110 1.00 0.00 O ATOM 684 CB LEU A 43 0.283 -5.107 4.135 1.00 0.00 C ATOM 685 CG LEU A 43 -1.067 -5.348 4.812 1.00 0.00 C ATOM 686 CD1 LEU A 43 -1.983 -4.151 4.616 1.00 0.00 C ATOM 687 CD2 LEU A 43 -1.716 -6.613 4.271 1.00 0.00 C ATOM 0 H LEU A 43 2.891 -4.922 3.697 1.00 0.00 H new ATOM 0 HA LEU A 43 0.932 -3.483 5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.123 -4.497 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.679 -6.065 3.797 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.898 -5.479 5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.939 -4.340 5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.522 -3.265 5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.146 -3.988 3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.676 -6.769 4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.872 -6.511 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.066 -7.467 4.464 1.00 0.00 H new ATOM 699 N ILE A 44 1.008 -5.064 7.339 1.00 0.00 N ATOM 700 CA ILE A 44 1.243 -5.847 8.546 1.00 0.00 C ATOM 701 C ILE A 44 0.029 -6.714 8.885 1.00 0.00 C ATOM 702 O ILE A 44 -0.627 -6.507 9.906 1.00 0.00 O ATOM 703 CB ILE A 44 1.575 -4.939 9.748 1.00 0.00 C ATOM 704 CG1 ILE A 44 1.900 -5.782 10.984 1.00 0.00 C ATOM 705 CG2 ILE A 44 0.421 -3.988 10.034 1.00 0.00 C ATOM 706 CD1 ILE A 44 3.056 -5.243 11.798 1.00 0.00 C ATOM 0 H ILE A 44 0.310 -4.327 7.442 1.00 0.00 H new ATOM 0 HA ILE A 44 2.098 -6.493 8.346 1.00 0.00 H new ATOM 0 HB ILE A 44 2.454 -4.345 9.499 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.015 -5.838 11.618 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.132 -6.799 10.669 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.673 -3.355 10.885 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.239 -3.364 9.159 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.476 -4.563 10.263 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.229 -5.891 12.657 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.953 -5.213 11.180 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.820 -4.237 12.144 1.00 0.00 H new ATOM 718 N PHE A 45 -0.269 -7.685 8.023 1.00 0.00 N ATOM 719 CA PHE A 45 -1.406 -8.573 8.242 1.00 0.00 C ATOM 720 C PHE A 45 -1.162 -9.949 7.617 1.00 0.00 C ATOM 721 O PHE A 45 -0.827 -10.052 6.438 1.00 0.00 O ATOM 722 CB PHE A 45 -2.682 -7.953 7.665 1.00 0.00 C ATOM 723 CG PHE A 45 -3.797 -7.839 8.665 1.00 0.00 C ATOM 724 CD1 PHE A 45 -3.888 -6.736 9.497 1.00 0.00 C ATOM 725 CD2 PHE A 45 -4.752 -8.837 8.774 1.00 0.00 C ATOM 726 CE1 PHE A 45 -4.913 -6.628 10.418 1.00 0.00 C ATOM 727 CE2 PHE A 45 -5.779 -8.735 9.693 1.00 0.00 C ATOM 728 CZ PHE A 45 -5.860 -7.630 10.516 1.00 0.00 C ATOM 0 H PHE A 45 0.259 -7.875 7.171 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.527 -8.705 9.317 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.451 -6.962 7.276 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.020 -8.556 6.822 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.150 -5.951 9.426 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.693 -9.705 8.133 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.974 -5.762 11.060 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.518 -9.519 9.767 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.662 -7.548 11.235 1.00 0.00 H new ATOM 738 N ALA A 46 -1.335 -11.002 8.415 1.00 0.00 N ATOM 739 CA ALA A 46 -1.134 -12.365 7.938 1.00 0.00 C ATOM 740 C ALA A 46 0.295 -12.583 7.440 1.00 0.00 C ATOM 741 O ALA A 46 0.524 -13.380 6.531 1.00 0.00 O ATOM 742 CB ALA A 46 -2.130 -12.686 6.833 1.00 0.00 C ATOM 0 H ALA A 46 -1.614 -10.935 9.394 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.299 -13.039 8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.970 -13.706 6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.145 -12.589 7.218 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.989 -11.993 6.003 1.00 0.00 H new ATOM 748 N GLY A 47 1.257 -11.877 8.042 1.00 0.00 N ATOM 749 CA GLY A 47 2.648 -12.019 7.640 1.00 0.00 C ATOM 750 C GLY A 47 2.836 -12.013 6.131 1.00 0.00 C ATOM 751 O GLY A 47 3.649 -12.770 5.602 1.00 0.00 O ATOM 0 H GLY A 47 1.096 -11.212 8.798 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.231 -11.208 8.076 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.044 -12.950 8.046 1.00 0.00 H new ATOM 755 N LYS A 48 2.082 -11.162 5.435 1.00 0.00 N ATOM 756 CA LYS A 48 2.180 -11.074 3.982 1.00 0.00 C ATOM 757 C LYS A 48 2.828 -9.758 3.557 1.00 0.00 C ATOM 758 O LYS A 48 2.634 -8.727 4.199 1.00 0.00 O ATOM 759 CB LYS A 48 0.793 -11.202 3.348 1.00 0.00 C ATOM 760 CG LYS A 48 0.324 -12.640 3.195 1.00 0.00 C ATOM 761 CD LYS A 48 -1.167 -12.713 2.914 1.00 0.00 C ATOM 762 CE LYS A 48 -1.813 -13.888 3.632 1.00 0.00 C ATOM 763 NZ LYS A 48 -1.562 -15.176 2.927 1.00 0.00 N ATOM 0 H LYS A 48 1.401 -10.528 5.853 1.00 0.00 H new ATOM 0 HA LYS A 48 2.808 -11.895 3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.072 -10.657 3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.806 -10.726 2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.872 -13.118 2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.552 -13.197 4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.644 -11.785 3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.332 -12.806 1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.426 -13.949 4.649 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.887 -13.720 3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.019 -15.952 3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.954 -15.127 1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.538 -15.350 2.875 1.00 0.00 H new ATOM 777 N GLN A 49 3.601 -9.800 2.472 1.00 0.00 N ATOM 778 CA GLN A 49 4.274 -8.605 1.971 1.00 0.00 C ATOM 779 C GLN A 49 3.384 -7.853 0.984 1.00 0.00 C ATOM 780 O GLN A 49 2.305 -8.323 0.627 1.00 0.00 O ATOM 781 CB GLN A 49 5.603 -8.976 1.305 1.00 0.00 C ATOM 782 CG GLN A 49 5.443 -9.785 0.027 1.00 0.00 C ATOM 783 CD GLN A 49 6.499 -10.868 -0.111 1.00 0.00 C ATOM 784 OE1 GLN A 49 7.317 -10.836 -1.030 1.00 0.00 O ATOM 785 NE2 GLN A 49 6.487 -11.838 0.802 1.00 0.00 N ATOM 0 H GLN A 49 3.775 -10.644 1.927 1.00 0.00 H new ATOM 0 HA GLN A 49 4.477 -7.952 2.820 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.153 -8.063 1.079 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.207 -9.546 2.012 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.454 -10.242 0.012 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.498 -9.116 -0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.792 -11.827 1.548 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.173 -12.591 0.755 1.00 0.00 H new ATOM 794 N LEU A 50 3.844 -6.681 0.545 1.00 0.00 N ATOM 795 CA LEU A 50 3.082 -5.870 -0.401 1.00 0.00 C ATOM 796 C LEU A 50 3.235 -6.396 -1.828 1.00 0.00 C ATOM 797 O LEU A 50 2.284 -6.372 -2.610 1.00 0.00 O ATOM 798 CB LEU A 50 3.528 -4.405 -0.331 1.00 0.00 C ATOM 799 CG LEU A 50 2.391 -3.385 -0.255 1.00 0.00 C ATOM 800 CD1 LEU A 50 1.635 -3.327 -1.573 1.00 0.00 C ATOM 801 CD2 LEU A 50 1.448 -3.723 0.890 1.00 0.00 C ATOM 0 H LEU A 50 4.736 -6.275 0.828 1.00 0.00 H new ATOM 0 HA LEU A 50 2.030 -5.935 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.169 -4.278 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.136 -4.184 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 50 2.823 -2.402 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.830 -2.596 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.317 -3.036 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.215 -4.308 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.645 -2.987 0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.024 -4.715 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.999 -3.710 1.831 1.00 0.00 H new ATOM 813 N GLU A 51 4.435 -6.869 -2.169 1.00 0.00 N ATOM 814 CA GLU A 51 4.696 -7.395 -3.510 1.00 0.00 C ATOM 815 C GLU A 51 4.396 -8.897 -3.612 1.00 0.00 C ATOM 816 O GLU A 51 4.713 -9.520 -4.625 1.00 0.00 O ATOM 817 CB GLU A 51 6.150 -7.132 -3.909 1.00 0.00 C ATOM 818 CG GLU A 51 7.162 -7.813 -3.003 1.00 0.00 C ATOM 819 CD GLU A 51 7.792 -6.857 -2.010 1.00 0.00 C ATOM 820 OE1 GLU A 51 7.902 -5.655 -2.331 1.00 0.00 O ATOM 821 OE2 GLU A 51 8.174 -7.309 -0.910 1.00 0.00 O ATOM 0 H GLU A 51 5.237 -6.899 -1.539 1.00 0.00 H new ATOM 0 HA GLU A 51 4.026 -6.875 -4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.304 -7.473 -4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.332 -6.057 -3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.672 -8.623 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.944 -8.265 -3.613 1.00 0.00 H new ATOM 828 N ASP A 52 3.785 -9.479 -2.574 1.00 0.00 N ATOM 829 CA ASP A 52 3.459 -10.908 -2.584 1.00 0.00 C ATOM 830 C ASP A 52 2.791 -11.313 -3.900 1.00 0.00 C ATOM 831 O ASP A 52 3.087 -12.371 -4.454 1.00 0.00 O ATOM 832 CB ASP A 52 2.538 -11.261 -1.410 1.00 0.00 C ATOM 833 CG ASP A 52 2.894 -12.592 -0.777 1.00 0.00 C ATOM 834 OD1 ASP A 52 4.076 -12.787 -0.428 1.00 0.00 O ATOM 835 OD2 ASP A 52 1.988 -13.439 -0.629 1.00 0.00 O ATOM 0 H ASP A 52 3.509 -8.987 -1.724 1.00 0.00 H new ATOM 0 HA ASP A 52 4.394 -11.459 -2.484 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.597 -10.476 -0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.506 -11.292 -1.758 1.00 0.00 H new ATOM 840 N GLY A 53 1.892 -10.464 -4.396 1.00 0.00 N ATOM 841 CA GLY A 53 1.202 -10.756 -5.640 1.00 0.00 C ATOM 842 C GLY A 53 -0.128 -11.466 -5.431 1.00 0.00 C ATOM 843 O GLY A 53 -0.612 -12.151 -6.331 1.00 0.00 O ATOM 0 H GLY A 53 1.630 -9.581 -3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.029 -9.825 -6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.843 -11.375 -6.268 1.00 0.00 H new ATOM 847 N ARG A 54 -0.725 -11.304 -4.249 1.00 0.00 N ATOM 848 CA ARG A 54 -2.004 -11.937 -3.950 1.00 0.00 C ATOM 849 C ARG A 54 -3.127 -10.904 -3.930 1.00 0.00 C ATOM 850 O ARG A 54 -2.883 -9.709 -4.093 1.00 0.00 O ATOM 851 CB ARG A 54 -1.936 -12.661 -2.604 1.00 0.00 C ATOM 852 CG ARG A 54 -0.798 -13.663 -2.510 1.00 0.00 C ATOM 853 CD ARG A 54 -1.080 -14.906 -3.341 1.00 0.00 C ATOM 854 NE ARG A 54 0.042 -15.846 -3.333 1.00 0.00 N ATOM 855 CZ ARG A 54 -0.073 -17.142 -3.620 1.00 0.00 C ATOM 856 NH1 ARG A 54 -1.254 -17.655 -3.942 1.00 0.00 N ATOM 857 NH2 ARG A 54 0.996 -17.927 -3.587 1.00 0.00 N ATOM 0 H ARG A 54 -0.343 -10.742 -3.488 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.216 -12.664 -4.734 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.826 -11.923 -1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.880 -13.178 -2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.127 -13.198 -2.851 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.647 -13.947 -1.469 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.970 -15.403 -2.956 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.298 -14.612 -4.368 1.00 0.00 H new ATOM 0 HE ARG A 54 0.967 -15.488 -3.094 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.079 -17.056 -3.971 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.336 -18.648 -4.161 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.907 -17.538 -3.342 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.907 -18.919 -3.807 1.00 0.00 H new ATOM 871 N THR A 55 -4.360 -11.366 -3.723 1.00 0.00 N ATOM 872 CA THR A 55 -5.508 -10.472 -3.678 1.00 0.00 C ATOM 873 C THR A 55 -5.895 -10.172 -2.233 1.00 0.00 C ATOM 874 O THR A 55 -6.031 -11.084 -1.420 1.00 0.00 O ATOM 875 CB THR A 55 -6.696 -11.091 -4.421 1.00 0.00 C ATOM 876 OG1 THR A 55 -6.274 -11.697 -5.634 1.00 0.00 O ATOM 877 CG2 THR A 55 -7.780 -10.088 -4.757 1.00 0.00 C ATOM 0 H THR A 55 -4.585 -12.351 -3.585 1.00 0.00 H new ATOM 0 HA THR A 55 -5.234 -9.538 -4.168 1.00 0.00 H new ATOM 0 HB THR A 55 -7.109 -11.832 -3.737 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.048 -12.087 -6.091 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.592 -10.592 -5.282 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.163 -9.644 -3.838 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.367 -9.305 -5.393 1.00 0.00 H new ATOM 885 N LEU A 56 -6.075 -8.892 -1.913 1.00 0.00 N ATOM 886 CA LEU A 56 -6.448 -8.498 -0.555 1.00 0.00 C ATOM 887 C LEU A 56 -7.661 -9.294 -0.069 1.00 0.00 C ATOM 888 O LEU A 56 -7.782 -9.588 1.120 1.00 0.00 O ATOM 889 CB LEU A 56 -6.748 -6.997 -0.489 1.00 0.00 C ATOM 890 CG LEU A 56 -7.703 -6.477 -1.569 1.00 0.00 C ATOM 891 CD1 LEU A 56 -8.985 -5.948 -0.942 1.00 0.00 C ATOM 892 CD2 LEU A 56 -7.031 -5.395 -2.401 1.00 0.00 C ATOM 0 H LEU A 56 -5.970 -8.117 -2.568 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.604 -8.717 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.172 -6.770 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.808 -6.451 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.960 -7.307 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.650 -5.584 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.478 -6.749 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.747 -5.132 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.725 -5.038 -3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.743 -4.566 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.143 -5.805 -2.882 1.00 0.00 H new ATOM 904 N SER A 57 -8.553 -9.646 -0.993 1.00 0.00 N ATOM 905 CA SER A 57 -9.747 -10.412 -0.648 1.00 0.00 C ATOM 906 C SER A 57 -9.389 -11.781 -0.062 1.00 0.00 C ATOM 907 O SER A 57 -10.160 -12.345 0.714 1.00 0.00 O ATOM 908 CB SER A 57 -10.644 -10.592 -1.877 1.00 0.00 C ATOM 909 OG SER A 57 -11.594 -11.623 -1.670 1.00 0.00 O ATOM 0 H SER A 57 -8.471 -9.414 -1.983 1.00 0.00 H new ATOM 0 HA SER A 57 -10.287 -9.848 0.112 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.160 -9.657 -2.095 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.031 -10.828 -2.747 1.00 0.00 H new ATOM 0 HG SER A 57 -12.155 -11.716 -2.468 1.00 0.00 H new ATOM 915 N ASP A 58 -8.223 -12.325 -0.435 1.00 0.00 N ATOM 916 CA ASP A 58 -7.809 -13.635 0.072 1.00 0.00 C ATOM 917 C ASP A 58 -7.841 -13.680 1.602 1.00 0.00 C ATOM 918 O ASP A 58 -8.076 -14.736 2.189 1.00 0.00 O ATOM 919 CB ASP A 58 -6.409 -14.010 -0.445 1.00 0.00 C ATOM 920 CG ASP A 58 -5.292 -13.187 0.176 1.00 0.00 C ATOM 921 OD1 ASP A 58 -5.264 -13.055 1.417 1.00 0.00 O ATOM 922 OD2 ASP A 58 -4.437 -12.684 -0.582 1.00 0.00 O ATOM 0 H ASP A 58 -7.561 -11.886 -1.075 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.524 -14.368 -0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.227 -15.066 -0.243 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.384 -13.883 -1.527 1.00 0.00 H new ATOM 927 N TYR A 59 -7.606 -12.535 2.248 1.00 0.00 N ATOM 928 CA TYR A 59 -7.617 -12.474 3.706 1.00 0.00 C ATOM 929 C TYR A 59 -8.857 -11.740 4.221 1.00 0.00 C ATOM 930 O TYR A 59 -8.787 -11.011 5.209 1.00 0.00 O ATOM 931 CB TYR A 59 -6.352 -11.780 4.217 1.00 0.00 C ATOM 932 CG TYR A 59 -5.883 -12.290 5.561 1.00 0.00 C ATOM 933 CD1 TYR A 59 -5.257 -13.525 5.677 1.00 0.00 C ATOM 934 CD2 TYR A 59 -6.069 -11.538 6.714 1.00 0.00 C ATOM 935 CE1 TYR A 59 -4.829 -13.995 6.904 1.00 0.00 C ATOM 936 CE2 TYR A 59 -5.642 -12.001 7.943 1.00 0.00 C ATOM 937 CZ TYR A 59 -5.024 -13.229 8.033 1.00 0.00 C ATOM 938 OH TYR A 59 -4.599 -13.694 9.257 1.00 0.00 O ATOM 0 H TYR A 59 -7.408 -11.647 1.787 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.644 -13.496 4.083 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.553 -11.915 3.488 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.539 -10.709 4.289 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.102 -14.127 4.794 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.555 -10.576 6.648 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.344 -14.957 6.978 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.792 -11.403 8.830 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.811 -13.034 9.949 1.00 0.00 H new ATOM 948 N ASN A 60 -9.991 -11.941 3.551 1.00 0.00 N ATOM 949 CA ASN A 60 -11.241 -11.299 3.951 1.00 0.00 C ATOM 950 C ASN A 60 -11.091 -9.779 4.042 1.00 0.00 C ATOM 951 O ASN A 60 -11.736 -9.136 4.870 1.00 0.00 O ATOM 952 CB ASN A 60 -11.711 -11.854 5.297 1.00 0.00 C ATOM 953 CG ASN A 60 -11.840 -13.368 5.286 1.00 0.00 C ATOM 954 OD1 ASN A 60 -10.965 -14.077 5.781 1.00 0.00 O ATOM 955 ND2 ASN A 60 -12.934 -13.872 4.720 1.00 0.00 N ATOM 0 H ASN A 60 -10.069 -12.542 2.731 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.985 -11.519 3.185 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.007 -11.558 6.075 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.674 -11.412 5.553 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.071 -14.882 4.685 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.635 -13.248 4.321 1.00 0.00 H new ATOM 962 N ILE A 61 -10.245 -9.203 3.187 1.00 0.00 N ATOM 963 CA ILE A 61 -10.034 -7.758 3.187 1.00 0.00 C ATOM 964 C ILE A 61 -11.025 -7.064 2.255 1.00 0.00 C ATOM 965 O ILE A 61 -10.669 -6.660 1.147 1.00 0.00 O ATOM 966 CB ILE A 61 -8.598 -7.393 2.763 1.00 0.00 C ATOM 967 CG1 ILE A 61 -7.584 -8.255 3.517 1.00 0.00 C ATOM 968 CG2 ILE A 61 -8.334 -5.915 3.011 1.00 0.00 C ATOM 969 CD1 ILE A 61 -6.149 -7.985 3.119 1.00 0.00 C ATOM 0 H ILE A 61 -9.699 -9.712 2.491 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.194 -7.414 4.209 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.489 -7.589 1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.695 -8.080 4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.810 -9.307 3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.316 -5.671 2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.038 -5.317 2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.458 -5.696 4.072 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.485 -8.631 3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.022 -8.187 2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.905 -6.942 3.322 1.00 0.00 H new ATOM 981 N GLN A 62 -12.272 -6.932 2.706 1.00 0.00 N ATOM 982 CA GLN A 62 -13.309 -6.293 1.904 1.00 0.00 C ATOM 983 C GLN A 62 -13.616 -4.887 2.424 1.00 0.00 C ATOM 984 O GLN A 62 -12.946 -4.395 3.331 1.00 0.00 O ATOM 985 CB GLN A 62 -14.577 -7.149 1.908 1.00 0.00 C ATOM 986 CG GLN A 62 -15.285 -7.188 3.254 1.00 0.00 C ATOM 987 CD GLN A 62 -16.757 -6.825 3.151 1.00 0.00 C ATOM 988 OE1 GLN A 62 -17.593 -7.800 2.803 1.00 0.00 O flip ATOM 989 NE2 GLN A 62 -17.139 -5.678 3.383 1.00 0.00 N flip ATOM 0 H GLN A 62 -12.586 -7.259 3.620 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.944 -6.203 0.881 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -15.266 -6.765 1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -14.319 -8.166 1.614 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -15.190 -8.186 3.682 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.792 -6.499 3.940 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -16.465 -4.960 3.647 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -18.130 -5.446 3.311 1.00 0.00 H new ATOM 998 N LYS A 63 -14.633 -4.243 1.843 1.00 0.00 N ATOM 999 CA LYS A 63 -15.023 -2.891 2.251 1.00 0.00 C ATOM 1000 C LYS A 63 -15.082 -2.767 3.773 1.00 0.00 C ATOM 1001 O LYS A 63 -15.455 -3.712 4.468 1.00 0.00 O ATOM 1002 CB LYS A 63 -16.382 -2.520 1.650 1.00 0.00 C ATOM 1003 CG LYS A 63 -16.308 -2.101 0.191 1.00 0.00 C ATOM 1004 CD LYS A 63 -17.159 -3.000 -0.694 1.00 0.00 C ATOM 1005 CE LYS A 63 -16.370 -4.200 -1.193 1.00 0.00 C ATOM 1006 NZ LYS A 63 -16.670 -4.507 -2.618 1.00 0.00 N ATOM 0 H LYS A 63 -15.199 -4.635 1.091 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.265 -2.202 1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -17.055 -3.373 1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.817 -1.707 2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.643 -1.069 0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.272 -2.134 -0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.030 -3.343 -0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.531 -2.428 -1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.303 -4.006 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.603 -5.069 -0.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.693 -5.538 -2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.594 -4.103 -2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.933 -4.094 -3.225 1.00 0.00 H new ATOM 1020 N GLU A 64 -14.708 -1.594 4.284 1.00 0.00 N ATOM 1021 CA GLU A 64 -14.717 -1.347 5.722 1.00 0.00 C ATOM 1022 C GLU A 64 -13.733 -2.262 6.458 1.00 0.00 C ATOM 1023 O GLU A 64 -13.864 -2.477 7.662 1.00 0.00 O ATOM 1024 CB GLU A 64 -16.128 -1.542 6.284 1.00 0.00 C ATOM 1025 CG GLU A 64 -16.943 -0.261 6.339 1.00 0.00 C ATOM 1026 CD GLU A 64 -17.044 0.305 7.741 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -17.008 -0.487 8.706 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -17.159 1.542 7.875 1.00 0.00 O ATOM 0 H GLU A 64 -14.396 -0.802 3.722 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.402 -0.316 5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.656 -2.273 5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.056 -1.960 7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.490 0.482 5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -17.945 -0.455 5.956 1.00 0.00 H new ATOM 1035 N SER A 65 -12.742 -2.795 5.736 1.00 0.00 N ATOM 1036 CA SER A 65 -11.750 -3.676 6.346 1.00 0.00 C ATOM 1037 C SER A 65 -10.743 -2.873 7.167 1.00 0.00 C ATOM 1038 O SER A 65 -10.617 -1.661 6.994 1.00 0.00 O ATOM 1039 CB SER A 65 -11.016 -4.487 5.274 1.00 0.00 C ATOM 1040 OG SER A 65 -11.663 -5.726 5.039 1.00 0.00 O ATOM 0 H SER A 65 -12.609 -2.632 4.738 1.00 0.00 H new ATOM 0 HA SER A 65 -12.276 -4.362 7.010 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.972 -3.915 4.347 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.987 -4.664 5.588 1.00 0.00 H new ATOM 0 HG SER A 65 -12.507 -5.570 4.566 1.00 0.00 H new ATOM 1046 N THR A 66 -10.024 -3.554 8.056 1.00 0.00 N ATOM 1047 CA THR A 66 -9.027 -2.897 8.892 1.00 0.00 C ATOM 1048 C THR A 66 -7.617 -3.258 8.429 1.00 0.00 C ATOM 1049 O THR A 66 -6.989 -4.164 8.977 1.00 0.00 O ATOM 1050 CB THR A 66 -9.215 -3.294 10.357 1.00 0.00 C ATOM 1051 OG1 THR A 66 -9.773 -4.592 10.458 1.00 0.00 O ATOM 1052 CG2 THR A 66 -10.114 -2.348 11.123 1.00 0.00 C ATOM 0 H THR A 66 -10.114 -4.558 8.215 1.00 0.00 H new ATOM 0 HA THR A 66 -9.159 -1.819 8.800 1.00 0.00 H new ATOM 0 HB THR A 66 -8.218 -3.258 10.795 1.00 0.00 H new ATOM 0 HG1 THR A 66 -9.884 -4.828 11.403 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.205 -2.688 12.155 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.685 -1.346 11.107 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.100 -2.328 10.660 1.00 0.00 H new ATOM 1060 N LEU A 67 -7.125 -2.550 7.413 1.00 0.00 N ATOM 1061 CA LEU A 67 -5.791 -2.809 6.881 1.00 0.00 C ATOM 1062 C LEU A 67 -4.773 -1.818 7.441 1.00 0.00 C ATOM 1063 O LEU A 67 -4.967 -0.605 7.362 1.00 0.00 O ATOM 1064 CB LEU A 67 -5.805 -2.734 5.353 1.00 0.00 C ATOM 1065 CG LEU A 67 -6.043 -1.338 4.773 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -4.722 -0.683 4.398 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -6.966 -1.410 3.565 1.00 0.00 C ATOM 0 H LEU A 67 -7.629 -1.797 6.945 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.497 -3.813 7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.853 -3.109 4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.580 -3.403 4.979 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.525 -0.727 5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.911 0.309 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.095 -0.595 5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.212 -1.293 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.123 -0.408 3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.513 -2.038 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.924 -1.836 3.864 1.00 0.00 H new ATOM 1079 N HIS A 68 -3.685 -2.341 8.004 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.639 -1.499 8.570 1.00 0.00 C ATOM 1081 C HIS A 68 -1.399 -1.507 7.679 1.00 0.00 C ATOM 1082 O HIS A 68 -0.785 -2.554 7.470 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.277 -1.978 9.978 1.00 0.00 C ATOM 1084 CG HIS A 68 -1.259 -1.119 10.661 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -0.379 -1.407 11.650 1.00 0.00 N flip ATOM 1086 CD2 HIS A 68 -1.059 0.209 10.348 1.00 0.00 C flip ATOM 1087 CE1 HIS A 68 0.329 -0.259 11.910 1.00 0.00 C flip ATOM 1088 NE2 HIS A 68 -0.101 0.700 11.113 1.00 0.00 N flip ATOM 0 H HIS A 68 -3.507 -3.343 8.079 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.016 -0.478 8.629 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.181 -2.008 10.586 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.898 -2.998 9.919 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.601 0.761 9.595 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.111 -0.158 12.648 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.247 1.658 11.091 1.00 0.00 H new ATOM 1097 N LEU A 69 -1.033 -0.340 7.153 1.00 0.00 N ATOM 1098 CA LEU A 69 0.135 -0.231 6.287 1.00 0.00 C ATOM 1099 C LEU A 69 1.373 0.156 7.092 1.00 0.00 C ATOM 1100 O LEU A 69 1.446 1.252 7.647 1.00 0.00 O ATOM 1101 CB LEU A 69 -0.117 0.799 5.179 1.00 0.00 C ATOM 1102 CG LEU A 69 0.058 0.270 3.754 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -1.264 -0.249 3.211 1.00 0.00 C ATOM 1104 CD2 LEU A 69 0.619 1.358 2.848 1.00 0.00 C ATOM 0 H LEU A 69 -1.527 0.538 7.311 1.00 0.00 H new ATOM 0 HA LEU A 69 0.312 -1.205 5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.131 1.185 5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.561 1.640 5.324 1.00 0.00 H new ATOM 0 HG LEU A 69 0.767 -0.558 3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.120 -0.621 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.626 -1.058 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.995 0.559 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.737 0.965 1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.066 2.205 2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.588 1.683 3.227 1.00 0.00 H new ATOM 1116 N VAL A 70 2.349 -0.750 7.152 1.00 0.00 N ATOM 1117 CA VAL A 70 3.579 -0.496 7.890 1.00 0.00 C ATOM 1118 C VAL A 70 4.769 -0.363 6.942 1.00 0.00 C ATOM 1119 O VAL A 70 4.768 -0.931 5.850 1.00 0.00 O ATOM 1120 CB VAL A 70 3.865 -1.619 8.909 1.00 0.00 C ATOM 1121 CG1 VAL A 70 4.067 -2.950 8.202 1.00 0.00 C ATOM 1122 CG2 VAL A 70 5.073 -1.270 9.765 1.00 0.00 C ATOM 0 H VAL A 70 2.309 -1.663 6.699 1.00 0.00 H new ATOM 0 HA VAL A 70 3.441 0.442 8.428 1.00 0.00 H new ATOM 0 HB VAL A 70 3.000 -1.714 9.565 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.267 -3.727 8.940 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.167 -3.205 7.642 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.911 -2.874 7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.259 -2.074 10.477 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.947 -1.142 9.126 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.880 -0.343 10.306 1.00 0.00 H new ATOM 1132 N LEU A 71 5.782 0.390 7.363 1.00 0.00 N ATOM 1133 CA LEU A 71 6.974 0.590 6.544 1.00 0.00 C ATOM 1134 C LEU A 71 7.992 -0.522 6.784 1.00 0.00 C ATOM 1135 O LEU A 71 8.310 -0.846 7.929 1.00 0.00 O ATOM 1136 CB LEU A 71 7.605 1.956 6.833 1.00 0.00 C ATOM 1137 CG LEU A 71 8.038 2.180 8.285 1.00 0.00 C ATOM 1138 CD1 LEU A 71 9.381 2.890 8.338 1.00 0.00 C ATOM 1139 CD2 LEU A 71 6.985 2.978 9.041 1.00 0.00 C ATOM 0 H LEU A 71 5.801 0.870 8.263 1.00 0.00 H new ATOM 0 HA LEU A 71 6.671 0.560 5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.475 2.080 6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.891 2.733 6.559 1.00 0.00 H new ATOM 0 HG LEU A 71 8.143 1.207 8.765 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.672 3.040 9.378 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.134 2.283 7.835 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.302 3.856 7.840 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.311 3.127 10.070 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.848 3.947 8.560 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.041 2.433 9.034 1.00 0.00 H new ATOM 1151 N ARG A 72 8.502 -1.106 5.701 1.00 0.00 N ATOM 1152 CA ARG A 72 9.481 -2.183 5.806 1.00 0.00 C ATOM 1153 C ARG A 72 10.905 -1.634 5.751 1.00 0.00 C ATOM 1154 O ARG A 72 11.409 -1.301 4.678 1.00 0.00 O ATOM 1155 CB ARG A 72 9.272 -3.205 4.686 1.00 0.00 C ATOM 1156 CG ARG A 72 10.202 -4.404 4.776 1.00 0.00 C ATOM 1157 CD ARG A 72 9.910 -5.419 3.681 1.00 0.00 C ATOM 1158 NE ARG A 72 10.815 -5.278 2.539 1.00 0.00 N ATOM 1159 CZ ARG A 72 11.045 -6.247 1.654 1.00 0.00 C ATOM 1160 NH1 ARG A 72 10.438 -7.422 1.772 1.00 0.00 N ATOM 1161 NH2 ARG A 72 11.883 -6.040 0.646 1.00 0.00 N ATOM 0 H ARG A 72 8.254 -0.852 4.745 1.00 0.00 H new ATOM 0 HA ARG A 72 9.338 -2.675 6.768 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.240 -3.554 4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.419 -2.713 3.724 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.237 -4.070 4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.093 -4.878 5.751 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.997 -6.426 4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.881 -5.300 3.343 1.00 0.00 H new ATOM 0 HE ARG A 72 11.297 -4.388 2.414 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.791 -7.587 2.543 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.618 -8.160 1.091 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.351 -5.139 0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.059 -6.782 -0.031 1.00 0.00 H new ATOM 1175 N LEU A 73 11.554 -1.548 6.913 1.00 0.00 N ATOM 1176 CA LEU A 73 12.926 -1.047 6.997 1.00 0.00 C ATOM 1177 C LEU A 73 13.947 -2.136 6.650 1.00 0.00 C ATOM 1178 O LEU A 73 14.953 -2.291 7.344 1.00 0.00 O ATOM 1179 CB LEU A 73 13.206 -0.495 8.399 1.00 0.00 C ATOM 1180 CG LEU A 73 13.952 0.840 8.432 1.00 0.00 C ATOM 1181 CD1 LEU A 73 15.238 0.752 7.625 1.00 0.00 C ATOM 1182 CD2 LEU A 73 13.065 1.958 7.907 1.00 0.00 C ATOM 0 H LEU A 73 11.151 -1.819 7.810 1.00 0.00 H new ATOM 0 HA LEU A 73 13.029 -0.245 6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.257 -0.377 8.922 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.786 -1.232 8.954 1.00 0.00 H new ATOM 0 HG LEU A 73 14.212 1.065 9.466 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.756 1.711 7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 73 15.880 -0.022 8.046 1.00 0.00 H new ATOM 0 HD13 LEU A 73 15.002 0.504 6.590 1.00 0.00 H new ATOM 0 HD21 LEU A 73 13.611 2.901 7.937 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.775 1.740 6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.172 2.036 8.527 1.00 0.00 H new ATOM 1194 N ARG A 74 13.694 -2.887 5.581 1.00 0.00 N ATOM 1195 CA ARG A 74 14.605 -3.950 5.166 1.00 0.00 C ATOM 1196 C ARG A 74 15.652 -3.419 4.190 1.00 0.00 C ATOM 1197 O ARG A 74 15.366 -3.216 3.010 1.00 0.00 O ATOM 1198 CB ARG A 74 13.828 -5.100 4.522 1.00 0.00 C ATOM 1199 CG ARG A 74 13.305 -6.118 5.523 1.00 0.00 C ATOM 1200 CD ARG A 74 13.389 -7.535 4.974 1.00 0.00 C ATOM 1201 NE ARG A 74 14.711 -8.129 5.172 1.00 0.00 N ATOM 1202 CZ ARG A 74 15.179 -9.154 4.460 1.00 0.00 C ATOM 1203 NH1 ARG A 74 14.435 -9.703 3.507 1.00 0.00 N ATOM 1204 NH2 ARG A 74 16.392 -9.633 4.702 1.00 0.00 N ATOM 0 H ARG A 74 12.870 -2.780 4.989 1.00 0.00 H new ATOM 0 HA ARG A 74 15.116 -4.321 6.055 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.988 -4.690 3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 74 14.474 -5.607 3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.880 -6.050 6.447 1.00 0.00 H new ATOM 0 HG3 ARG A 74 12.270 -5.885 5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 74 12.637 -8.156 5.461 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.153 -7.525 3.910 1.00 0.00 H new ATOM 0 HE ARG A 74 15.310 -7.736 5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 74 13.501 -9.340 3.317 1.00 0.00 H new ATOM 0 HH12 ARG A 74 14.798 -10.487 2.965 1.00 0.00 H new ATOM 0 HH21 ARG A 74 16.968 -9.217 5.434 1.00 0.00 H new ATOM 0 HH22 ARG A 74 16.749 -10.417 4.156 1.00 0.00 H new ATOM 1218 N GLY A 75 16.867 -3.194 4.688 1.00 0.00 N ATOM 1219 CA GLY A 75 17.932 -2.689 3.840 1.00 0.00 C ATOM 1220 C GLY A 75 19.283 -3.286 4.187 1.00 0.00 C ATOM 1221 O GLY A 75 20.092 -2.649 4.863 1.00 0.00 O ATOM 0 H GLY A 75 17.131 -3.352 5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.698 -2.909 2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.983 -1.604 3.933 1.00 0.00 H new ATOM 1225 N GLY A 76 19.532 -4.510 3.725 1.00 0.00 N ATOM 1226 CA GLY A 76 20.798 -5.162 4.006 1.00 0.00 C ATOM 1227 C GLY A 76 20.642 -6.648 4.261 1.00 0.00 C ATOM 1228 O GLY A 76 21.519 -7.422 3.823 1.00 0.00 O ATOM 1229 OXT GLY A 76 19.642 -7.039 4.900 1.00 0.00 O ATOM 0 H GLY A 76 18.881 -5.059 3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 76 21.476 -5.010 3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 76 21.259 -4.694 4.876 1.00 0.00 H new TER 1233 GLY A 76