USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 625 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 55 THR OG1 : rot 113:sc= 0.761 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.617 USER MOD Set 2.1: A 7 THR OG1 : rot 162:sc= 1.95 USER MOD Set 2.2: A 9 THR OG1 : rot -42:sc= 1.22 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.13 (180deg=-0.265) USER MOD Single : A 2 GLN : amide:sc= -2.69 K(o=-2.7,f=-4.9!) USER MOD Single : A 6 LYS NZ :NH3+ -149:sc= -0.0818 (180deg=-0.602) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.38) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -80:sc= 1.31 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -121:sc= 0.831 (180deg=-0.384!) USER MOD Single : A 29 LYS NZ :NH3+ 145:sc= 1.23 (180deg=0.584) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.015) USER MOD Single : A 41 GLN : amide:sc= -10.1! C(o=-10!,f=-11!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.0259 K(o=0.026,f=-0.54) USER MOD Single : A 59 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.17 X(o=-1.2,f=-0.82) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= -0.0599 (180deg=-0.499) USER MOD Single : A 65 SER OG : rot 180:sc= -0.36 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0806 X(o=-0.081,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 77.867 -16.818 7.482 1.00 0.00 N ATOM 2 CA MET A 1 77.448 -16.727 6.055 1.00 0.00 C ATOM 3 C MET A 1 77.359 -15.261 5.646 1.00 0.00 C ATOM 4 O MET A 1 77.685 -14.368 6.427 1.00 0.00 O ATOM 5 CB MET A 1 76.084 -17.400 5.882 1.00 0.00 C ATOM 6 CG MET A 1 76.245 -18.917 6.005 1.00 0.00 C ATOM 7 SD MET A 1 74.835 -19.603 6.908 1.00 0.00 S ATOM 8 CE MET A 1 75.772 -20.723 7.976 1.00 0.00 C ATOM 0 H1 MET A 1 78.733 -17.389 7.554 1.00 0.00 H new ATOM 0 H2 MET A 1 78.050 -15.863 7.852 1.00 0.00 H new ATOM 0 H3 MET A 1 77.111 -17.265 8.038 1.00 0.00 H new ATOM 0 HA MET A 1 78.180 -17.232 5.424 1.00 0.00 H new ATOM 0 HB2 MET A 1 75.388 -17.035 6.637 1.00 0.00 H new ATOM 0 HB3 MET A 1 75.662 -17.146 4.910 1.00 0.00 H new ATOM 0 HG2 MET A 1 76.310 -19.368 5.015 1.00 0.00 H new ATOM 0 HG3 MET A 1 77.173 -19.154 6.525 1.00 0.00 H new ATOM 0 HE1 MET A 1 75.086 -21.260 8.631 1.00 0.00 H new ATOM 0 HE2 MET A 1 76.321 -21.437 7.362 1.00 0.00 H new ATOM 0 HE3 MET A 1 76.474 -20.148 8.580 1.00 0.00 H new ATOM 20 N GLN A 2 76.922 -15.023 4.416 1.00 0.00 N ATOM 21 CA GLN A 2 76.797 -13.662 3.907 1.00 0.00 C ATOM 22 C GLN A 2 75.877 -13.623 2.692 1.00 0.00 C ATOM 23 O GLN A 2 75.800 -14.590 1.934 1.00 0.00 O ATOM 24 CB GLN A 2 78.177 -13.116 3.527 1.00 0.00 C ATOM 25 CG GLN A 2 78.842 -14.041 2.504 1.00 0.00 C ATOM 26 CD GLN A 2 80.347 -13.794 2.486 1.00 0.00 C ATOM 27 OE1 GLN A 2 80.844 -12.945 3.225 1.00 0.00 O ATOM 28 NE2 GLN A 2 81.105 -14.490 1.684 1.00 0.00 N ATOM 0 H GLN A 2 76.649 -15.750 3.755 1.00 0.00 H new ATOM 0 HA GLN A 2 76.365 -13.041 4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 2 78.079 -12.113 3.113 1.00 0.00 H new ATOM 0 HB3 GLN A 2 78.802 -13.034 4.416 1.00 0.00 H new ATOM 0 HG2 GLN A 2 78.638 -15.082 2.755 1.00 0.00 H new ATOM 0 HG3 GLN A 2 78.423 -13.864 1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 2 80.690 -15.193 1.073 1.00 0.00 H new ATOM 0 HE22 GLN A 2 82.112 -14.331 1.669 1.00 0.00 H new ATOM 37 N ILE A 3 75.195 -12.496 2.502 1.00 0.00 N ATOM 38 CA ILE A 3 74.279 -12.341 1.374 1.00 0.00 C ATOM 39 C ILE A 3 74.883 -11.373 0.363 1.00 0.00 C ATOM 40 O ILE A 3 75.860 -10.687 0.663 1.00 0.00 O ATOM 41 CB ILE A 3 72.938 -11.775 1.851 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.181 -10.570 2.762 1.00 0.00 C ATOM 43 CG2 ILE A 3 72.165 -12.841 2.625 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.022 -9.583 2.613 1.00 0.00 C ATOM 0 H ILE A 3 75.258 -11.680 3.111 1.00 0.00 H new ATOM 0 HA ILE A 3 74.119 -13.318 0.917 1.00 0.00 H new ATOM 0 HB ILE A 3 72.357 -11.467 0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.266 -10.895 3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.122 -10.086 2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 3 71.213 -12.429 2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 3 71.982 -13.699 1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 3 72.748 -13.157 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.191 -8.723 3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 3 71.958 -9.250 1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.089 -10.072 2.895 1.00 0.00 H new ATOM 56 N PHE A 4 74.313 -11.334 -0.835 1.00 0.00 N ATOM 57 CA PHE A 4 74.822 -10.456 -1.883 1.00 0.00 C ATOM 58 C PHE A 4 73.870 -9.292 -2.140 1.00 0.00 C ATOM 59 O PHE A 4 72.658 -9.474 -2.193 1.00 0.00 O ATOM 60 CB PHE A 4 75.004 -11.258 -3.173 1.00 0.00 C ATOM 61 CG PHE A 4 76.033 -12.342 -2.950 1.00 0.00 C ATOM 62 CD1 PHE A 4 77.385 -12.010 -2.799 1.00 0.00 C ATOM 63 CD2 PHE A 4 75.631 -13.682 -2.886 1.00 0.00 C ATOM 64 CE1 PHE A 4 78.334 -13.016 -2.585 1.00 0.00 C ATOM 65 CE2 PHE A 4 76.579 -14.688 -2.671 1.00 0.00 C ATOM 66 CZ PHE A 4 77.932 -14.356 -2.522 1.00 0.00 C ATOM 0 H PHE A 4 73.505 -11.895 -1.105 1.00 0.00 H new ATOM 0 HA PHE A 4 75.778 -10.049 -1.554 1.00 0.00 H new ATOM 0 HB2 PHE A 4 74.055 -11.699 -3.477 1.00 0.00 H new ATOM 0 HB3 PHE A 4 75.322 -10.600 -3.981 1.00 0.00 H new ATOM 0 HD1 PHE A 4 77.696 -10.977 -2.848 1.00 0.00 H new ATOM 0 HD2 PHE A 4 74.589 -13.939 -3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 4 79.376 -12.759 -2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 4 76.268 -15.721 -2.620 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.664 -15.133 -2.359 1.00 0.00 H new ATOM 76 N VAL A 5 74.438 -8.099 -2.310 1.00 0.00 N ATOM 77 CA VAL A 5 73.643 -6.903 -2.580 1.00 0.00 C ATOM 78 C VAL A 5 74.127 -6.243 -3.867 1.00 0.00 C ATOM 79 O VAL A 5 75.269 -5.803 -3.948 1.00 0.00 O ATOM 80 CB VAL A 5 73.756 -5.910 -1.420 1.00 0.00 C ATOM 81 CG1 VAL A 5 73.065 -4.599 -1.801 1.00 0.00 C ATOM 82 CG2 VAL A 5 73.079 -6.499 -0.180 1.00 0.00 C ATOM 0 H VAL A 5 75.444 -7.935 -2.266 1.00 0.00 H new ATOM 0 HA VAL A 5 72.599 -7.196 -2.690 1.00 0.00 H new ATOM 0 HB VAL A 5 74.808 -5.718 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 5 73.145 -3.892 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 5 73.543 -4.179 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 5 72.013 -4.790 -2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 5 73.158 -5.794 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 5 72.028 -6.689 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.569 -7.434 0.092 1.00 0.00 H new ATOM 92 N LYS A 6 73.259 -6.187 -4.872 1.00 0.00 N ATOM 93 CA LYS A 6 73.631 -5.586 -6.151 1.00 0.00 C ATOM 94 C LYS A 6 73.026 -4.194 -6.304 1.00 0.00 C ATOM 95 O LYS A 6 71.833 -3.992 -6.070 1.00 0.00 O ATOM 96 CB LYS A 6 73.161 -6.478 -7.300 1.00 0.00 C ATOM 97 CG LYS A 6 74.281 -7.447 -7.686 1.00 0.00 C ATOM 98 CD LYS A 6 73.675 -8.696 -8.320 1.00 0.00 C ATOM 99 CE LYS A 6 74.652 -9.277 -9.342 1.00 0.00 C ATOM 100 NZ LYS A 6 74.740 -8.364 -10.518 1.00 0.00 N ATOM 0 H LYS A 6 72.305 -6.545 -4.829 1.00 0.00 H new ATOM 0 HA LYS A 6 74.717 -5.493 -6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 6 72.272 -7.034 -7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 6 72.883 -5.867 -8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 6 74.967 -6.968 -8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 6 74.862 -7.719 -6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 6 73.454 -9.436 -7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 6 72.730 -8.449 -8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 6 75.636 -9.402 -8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 6 74.319 -10.265 -9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 74.933 -8.920 -11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 73.840 -7.855 -10.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 75.509 -7.679 -10.369 1.00 0.00 H new ATOM 114 N THR A 7 73.862 -3.240 -6.704 1.00 0.00 N ATOM 115 CA THR A 7 73.413 -1.865 -6.896 1.00 0.00 C ATOM 116 C THR A 7 73.341 -1.533 -8.383 1.00 0.00 C ATOM 117 O THR A 7 73.662 -2.366 -9.231 1.00 0.00 O ATOM 118 CB THR A 7 74.380 -0.899 -6.204 1.00 0.00 C ATOM 119 OG1 THR A 7 75.369 -0.478 -7.132 1.00 0.00 O ATOM 120 CG2 THR A 7 75.050 -1.602 -5.024 1.00 0.00 C ATOM 0 H THR A 7 74.851 -3.393 -6.901 1.00 0.00 H new ATOM 0 HA THR A 7 72.420 -1.760 -6.460 1.00 0.00 H new ATOM 0 HB THR A 7 73.830 -0.031 -5.840 1.00 0.00 H new ATOM 0 HG1 THR A 7 75.804 0.335 -6.800 1.00 0.00 H new ATOM 0 HG21 THR A 7 75.738 -0.913 -4.533 1.00 0.00 H new ATOM 0 HG22 THR A 7 74.289 -1.924 -4.313 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.602 -2.471 -5.384 1.00 0.00 H new ATOM 128 N LEU A 8 72.920 -0.311 -8.694 1.00 0.00 N ATOM 129 CA LEU A 8 72.813 0.118 -10.083 1.00 0.00 C ATOM 130 C LEU A 8 74.197 0.260 -10.707 1.00 0.00 C ATOM 131 O LEU A 8 74.328 0.474 -11.912 1.00 0.00 O ATOM 132 CB LEU A 8 72.077 1.457 -10.163 1.00 0.00 C ATOM 133 CG LEU A 8 70.723 1.340 -9.460 1.00 0.00 C ATOM 134 CD1 LEU A 8 70.630 2.393 -8.354 1.00 0.00 C ATOM 135 CD2 LEU A 8 69.601 1.568 -10.475 1.00 0.00 C ATOM 0 H LEU A 8 72.649 0.394 -8.009 1.00 0.00 H new ATOM 0 HA LEU A 8 72.253 -0.637 -10.634 1.00 0.00 H new ATOM 0 HB2 LEU A 8 72.674 2.240 -9.696 1.00 0.00 H new ATOM 0 HB3 LEU A 8 71.934 1.743 -11.205 1.00 0.00 H new ATOM 0 HG LEU A 8 70.624 0.346 -9.025 1.00 0.00 H new ATOM 0 HD11 LEU A 8 69.666 2.310 -7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 8 71.430 2.233 -7.631 1.00 0.00 H new ATOM 0 HD13 LEU A 8 70.728 3.387 -8.789 1.00 0.00 H new ATOM 0 HD21 LEU A 8 68.636 1.485 -9.975 1.00 0.00 H new ATOM 0 HD22 LEU A 8 69.700 2.563 -10.910 1.00 0.00 H new ATOM 0 HD23 LEU A 8 69.667 0.819 -11.264 1.00 0.00 H new ATOM 147 N THR A 9 75.229 0.141 -9.878 1.00 0.00 N ATOM 148 CA THR A 9 76.602 0.259 -10.358 1.00 0.00 C ATOM 149 C THR A 9 77.148 -1.108 -10.763 1.00 0.00 C ATOM 150 O THR A 9 78.296 -1.225 -11.190 1.00 0.00 O ATOM 151 CB THR A 9 77.488 0.861 -9.267 1.00 0.00 C ATOM 152 OG1 THR A 9 77.700 -0.103 -8.245 1.00 0.00 O ATOM 153 CG2 THR A 9 76.804 2.095 -8.674 1.00 0.00 C ATOM 0 H THR A 9 75.143 -0.036 -8.877 1.00 0.00 H new ATOM 0 HA THR A 9 76.606 0.913 -11.230 1.00 0.00 H new ATOM 0 HB THR A 9 78.447 1.152 -9.697 1.00 0.00 H new ATOM 0 HG1 THR A 9 76.861 -0.576 -8.062 1.00 0.00 H new ATOM 0 HG21 THR A 9 77.437 2.523 -7.896 1.00 0.00 H new ATOM 0 HG22 THR A 9 76.643 2.834 -9.459 1.00 0.00 H new ATOM 0 HG23 THR A 9 75.845 1.808 -8.244 1.00 0.00 H new ATOM 161 N GLY A 10 76.318 -2.136 -10.626 1.00 0.00 N ATOM 162 CA GLY A 10 76.729 -3.489 -10.980 1.00 0.00 C ATOM 163 C GLY A 10 77.663 -4.069 -9.925 1.00 0.00 C ATOM 164 O GLY A 10 78.141 -5.197 -10.057 1.00 0.00 O ATOM 0 H GLY A 10 75.363 -2.059 -10.275 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.850 -4.125 -11.082 1.00 0.00 H new ATOM 0 HA3 GLY A 10 77.229 -3.479 -11.948 1.00 0.00 H new ATOM 168 N LYS A 11 77.921 -3.292 -8.878 1.00 0.00 N ATOM 169 CA LYS A 11 78.801 -3.740 -7.805 1.00 0.00 C ATOM 170 C LYS A 11 78.036 -4.606 -6.809 1.00 0.00 C ATOM 171 O LYS A 11 76.998 -4.199 -6.287 1.00 0.00 O ATOM 172 CB LYS A 11 79.396 -2.531 -7.080 1.00 0.00 C ATOM 173 CG LYS A 11 80.707 -2.936 -6.402 1.00 0.00 C ATOM 174 CD LYS A 11 80.909 -2.099 -5.138 1.00 0.00 C ATOM 175 CE LYS A 11 82.361 -2.217 -4.673 1.00 0.00 C ATOM 176 NZ LYS A 11 82.719 -3.655 -4.515 1.00 0.00 N ATOM 0 H LYS A 11 77.536 -2.356 -8.750 1.00 0.00 H new ATOM 0 HA LYS A 11 79.603 -4.334 -8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.575 -1.721 -7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.691 -2.156 -6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 11 80.685 -3.996 -6.149 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.543 -2.788 -7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 11 80.664 -1.056 -5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 11 80.236 -2.440 -4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 11 83.025 -1.744 -5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 11 82.494 -1.692 -3.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 83.580 -3.737 -3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 81.939 -4.157 -4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 82.888 -4.075 -5.451 1.00 0.00 H new ATOM 190 N THR A 12 78.555 -5.802 -6.552 1.00 0.00 N ATOM 191 CA THR A 12 77.913 -6.718 -5.618 1.00 0.00 C ATOM 192 C THR A 12 78.582 -6.643 -4.247 1.00 0.00 C ATOM 193 O THR A 12 79.740 -7.028 -4.094 1.00 0.00 O ATOM 194 CB THR A 12 77.999 -8.151 -6.149 1.00 0.00 C ATOM 195 OG1 THR A 12 77.455 -8.200 -7.461 1.00 0.00 O ATOM 196 CG2 THR A 12 77.210 -9.086 -5.232 1.00 0.00 C ATOM 0 H THR A 12 79.413 -6.157 -6.974 1.00 0.00 H new ATOM 0 HA THR A 12 76.867 -6.429 -5.517 1.00 0.00 H new ATOM 0 HB THR A 12 79.042 -8.468 -6.175 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.510 -9.116 -7.804 1.00 0.00 H new ATOM 0 HG21 THR A 12 77.272 -10.106 -5.612 1.00 0.00 H new ATOM 0 HG22 THR A 12 77.628 -9.047 -4.226 1.00 0.00 H new ATOM 0 HG23 THR A 12 76.166 -8.773 -5.204 1.00 0.00 H new ATOM 204 N ILE A 13 77.849 -6.147 -3.251 1.00 0.00 N ATOM 205 CA ILE A 13 78.398 -6.034 -1.902 1.00 0.00 C ATOM 206 C ILE A 13 78.024 -7.252 -1.064 1.00 0.00 C ATOM 207 O ILE A 13 76.847 -7.581 -0.919 1.00 0.00 O ATOM 208 CB ILE A 13 77.872 -4.774 -1.206 1.00 0.00 C ATOM 209 CG1 ILE A 13 77.253 -3.826 -2.237 1.00 0.00 C ATOM 210 CG2 ILE A 13 79.024 -4.066 -0.487 1.00 0.00 C ATOM 211 CD1 ILE A 13 76.990 -2.467 -1.589 1.00 0.00 C ATOM 0 H ILE A 13 76.887 -5.821 -3.350 1.00 0.00 H new ATOM 0 HA ILE A 13 79.483 -5.973 -1.992 1.00 0.00 H new ATOM 0 HB ILE A 13 77.110 -5.060 -0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 13 77.923 -3.711 -3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.322 -4.245 -2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.648 -3.170 0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.456 -4.736 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.789 -3.787 -1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.549 -1.793 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.303 -2.590 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 13 77.930 -2.048 -1.229 1.00 0.00 H new ATOM 223 N THR A 14 79.033 -7.907 -0.499 1.00 0.00 N ATOM 224 CA THR A 14 78.797 -9.074 0.341 1.00 0.00 C ATOM 225 C THR A 14 78.911 -8.680 1.810 1.00 0.00 C ATOM 226 O THR A 14 79.890 -8.053 2.215 1.00 0.00 O ATOM 227 CB THR A 14 79.819 -10.167 0.017 1.00 0.00 C ATOM 228 OG1 THR A 14 79.755 -10.477 -1.367 1.00 0.00 O ATOM 229 CG2 THR A 14 79.511 -11.421 0.836 1.00 0.00 C ATOM 0 H THR A 14 80.015 -7.652 -0.607 1.00 0.00 H new ATOM 0 HA THR A 14 77.795 -9.457 0.147 1.00 0.00 H new ATOM 0 HB THR A 14 80.819 -9.812 0.266 1.00 0.00 H new ATOM 0 HG1 THR A 14 78.998 -11.076 -1.533 1.00 0.00 H new ATOM 0 HG21 THR A 14 80.241 -12.196 0.602 1.00 0.00 H new ATOM 0 HG22 THR A 14 79.562 -11.183 1.899 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.511 -11.779 0.592 1.00 0.00 H new ATOM 237 N LEU A 15 77.904 -9.035 2.601 1.00 0.00 N ATOM 238 CA LEU A 15 77.909 -8.688 4.019 1.00 0.00 C ATOM 239 C LEU A 15 77.378 -9.841 4.864 1.00 0.00 C ATOM 240 O LEU A 15 76.682 -10.723 4.364 1.00 0.00 O ATOM 241 CB LEU A 15 77.033 -7.449 4.281 1.00 0.00 C ATOM 242 CG LEU A 15 76.974 -6.532 3.050 1.00 0.00 C ATOM 243 CD1 LEU A 15 75.932 -5.438 3.291 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.340 -5.879 2.822 1.00 0.00 C ATOM 0 H LEU A 15 77.084 -9.556 2.291 1.00 0.00 H new ATOM 0 HA LEU A 15 78.942 -8.476 4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.025 -7.765 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.430 -6.894 5.131 1.00 0.00 H new ATOM 0 HG LEU A 15 76.704 -7.121 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 15 75.884 -4.783 2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 15 74.956 -5.895 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.212 -4.856 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.292 -5.230 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.612 -5.289 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.090 -6.653 2.659 1.00 0.00 H new ATOM 256 N GLU A 16 77.689 -9.805 6.157 1.00 0.00 N ATOM 257 CA GLU A 16 77.217 -10.832 7.077 1.00 0.00 C ATOM 258 C GLU A 16 75.935 -10.348 7.739 1.00 0.00 C ATOM 259 O GLU A 16 75.855 -9.202 8.179 1.00 0.00 O ATOM 260 CB GLU A 16 78.278 -11.116 8.143 1.00 0.00 C ATOM 261 CG GLU A 16 79.669 -11.067 7.506 1.00 0.00 C ATOM 262 CD GLU A 16 80.642 -11.916 8.316 1.00 0.00 C ATOM 263 OE1 GLU A 16 81.124 -11.430 9.325 1.00 0.00 O ATOM 264 OE2 GLU A 16 80.895 -13.040 7.912 1.00 0.00 O ATOM 0 H GLU A 16 78.262 -9.080 6.588 1.00 0.00 H new ATOM 0 HA GLU A 16 77.025 -11.753 6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 16 78.208 -10.382 8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 16 78.106 -12.095 8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 16 79.622 -11.432 6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 16 80.022 -10.037 7.462 1.00 0.00 H new ATOM 271 N VAL A 17 74.919 -11.204 7.775 1.00 0.00 N ATOM 272 CA VAL A 17 73.644 -10.802 8.355 1.00 0.00 C ATOM 273 C VAL A 17 72.967 -11.949 9.107 1.00 0.00 C ATOM 274 O VAL A 17 73.214 -13.123 8.835 1.00 0.00 O ATOM 275 CB VAL A 17 72.726 -10.311 7.235 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.532 -9.481 6.235 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.106 -11.512 6.517 1.00 0.00 C ATOM 0 H VAL A 17 74.951 -12.159 7.418 1.00 0.00 H new ATOM 0 HA VAL A 17 73.834 -10.007 9.076 1.00 0.00 H new ATOM 0 HB VAL A 17 71.935 -9.695 7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 17 72.875 -9.133 5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 17 73.971 -8.623 6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.325 -10.095 5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.452 -11.161 5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 17 72.897 -12.130 6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 17 71.527 -12.102 7.228 1.00 0.00 H new ATOM 287 N GLU A 18 72.099 -11.582 10.051 1.00 0.00 N ATOM 288 CA GLU A 18 71.363 -12.559 10.849 1.00 0.00 C ATOM 289 C GLU A 18 69.860 -12.263 10.774 1.00 0.00 C ATOM 290 O GLU A 18 69.473 -11.134 10.510 1.00 0.00 O ATOM 291 CB GLU A 18 71.827 -12.491 12.305 1.00 0.00 C ATOM 292 CG GLU A 18 73.001 -13.449 12.512 1.00 0.00 C ATOM 293 CD GLU A 18 73.750 -13.096 13.792 1.00 0.00 C ATOM 294 OE1 GLU A 18 73.454 -13.696 14.812 1.00 0.00 O ATOM 295 OE2 GLU A 18 74.615 -12.238 13.732 1.00 0.00 O ATOM 0 H GLU A 18 71.889 -10.611 10.281 1.00 0.00 H new ATOM 0 HA GLU A 18 71.553 -13.558 10.456 1.00 0.00 H new ATOM 0 HB2 GLU A 18 72.126 -11.473 12.555 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.006 -12.755 12.972 1.00 0.00 H new ATOM 0 HG2 GLU A 18 72.637 -14.475 12.566 1.00 0.00 H new ATOM 0 HG3 GLU A 18 73.678 -13.396 11.659 1.00 0.00 H new ATOM 302 N PRO A 19 69.009 -13.240 10.993 1.00 0.00 N ATOM 303 CA PRO A 19 67.525 -13.040 10.937 1.00 0.00 C ATOM 304 C PRO A 19 67.026 -11.785 11.677 1.00 0.00 C ATOM 305 O PRO A 19 65.830 -11.513 11.665 1.00 0.00 O ATOM 306 CB PRO A 19 66.960 -14.296 11.603 1.00 0.00 C ATOM 307 CG PRO A 19 68.012 -15.348 11.472 1.00 0.00 C ATOM 308 CD PRO A 19 69.360 -14.638 11.306 1.00 0.00 C ATOM 0 HA PRO A 19 67.204 -12.889 9.906 1.00 0.00 H new ATOM 0 HB2 PRO A 19 66.726 -14.109 12.651 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.034 -14.609 11.120 1.00 0.00 H new ATOM 0 HG2 PRO A 19 68.023 -15.990 12.353 1.00 0.00 H new ATOM 0 HG3 PRO A 19 67.808 -15.988 10.614 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.957 -14.703 12.216 1.00 0.00 H new ATOM 0 HD3 PRO A 19 69.949 -15.087 10.506 1.00 0.00 H new ATOM 316 N SER A 20 67.927 -11.026 12.313 1.00 0.00 N ATOM 317 CA SER A 20 67.521 -9.805 13.031 1.00 0.00 C ATOM 318 C SER A 20 68.093 -8.576 12.321 1.00 0.00 C ATOM 319 O SER A 20 68.024 -7.447 12.807 1.00 0.00 O ATOM 320 CB SER A 20 68.016 -9.850 14.478 1.00 0.00 C ATOM 321 OG SER A 20 69.384 -10.231 14.496 1.00 0.00 O ATOM 0 H SER A 20 68.926 -11.228 12.347 1.00 0.00 H new ATOM 0 HA SER A 20 66.433 -9.744 13.037 1.00 0.00 H new ATOM 0 HB2 SER A 20 67.893 -8.874 14.947 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.422 -10.558 15.056 1.00 0.00 H new ATOM 0 HG SER A 20 69.704 -10.259 15.422 1.00 0.00 H new ATOM 327 N ASP A 21 68.625 -8.849 11.151 1.00 0.00 N ATOM 328 CA ASP A 21 69.216 -7.866 10.249 1.00 0.00 C ATOM 329 C ASP A 21 68.130 -7.176 9.464 1.00 0.00 C ATOM 330 O ASP A 21 68.140 -7.157 8.233 1.00 0.00 O ATOM 331 CB ASP A 21 70.220 -8.493 9.313 1.00 0.00 C ATOM 332 CG ASP A 21 71.576 -8.606 10.002 1.00 0.00 C ATOM 333 OD1 ASP A 21 72.530 -8.058 9.476 1.00 0.00 O ATOM 334 OD2 ASP A 21 71.636 -9.216 11.057 1.00 0.00 O ATOM 0 H ASP A 21 68.663 -9.798 10.780 1.00 0.00 H new ATOM 0 HA ASP A 21 69.750 -7.134 10.855 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.876 -9.480 9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.311 -7.891 8.409 1.00 0.00 H new ATOM 339 N THR A 22 67.124 -6.736 10.172 1.00 0.00 N ATOM 340 CA THR A 22 65.953 -6.191 9.521 1.00 0.00 C ATOM 341 C THR A 22 66.290 -4.937 8.747 1.00 0.00 C ATOM 342 O THR A 22 67.181 -4.179 9.104 1.00 0.00 O ATOM 343 CB THR A 22 64.932 -5.784 10.584 1.00 0.00 C ATOM 344 OG1 THR A 22 65.038 -4.388 10.818 1.00 0.00 O ATOM 345 CG2 THR A 22 65.219 -6.534 11.878 1.00 0.00 C ATOM 0 H THR A 22 67.087 -6.742 11.191 1.00 0.00 H new ATOM 0 HA THR A 22 65.565 -6.955 8.848 1.00 0.00 H new ATOM 0 HB THR A 22 63.927 -6.027 10.239 1.00 0.00 H new ATOM 0 HG1 THR A 22 64.385 -4.120 11.498 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.491 -6.244 12.636 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.149 -7.607 11.700 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.222 -6.289 12.226 1.00 0.00 H new ATOM 353 N ILE A 23 65.567 -4.788 7.642 1.00 0.00 N ATOM 354 CA ILE A 23 65.738 -3.682 6.715 1.00 0.00 C ATOM 355 C ILE A 23 66.292 -2.443 7.415 1.00 0.00 C ATOM 356 O ILE A 23 67.108 -1.715 6.851 1.00 0.00 O ATOM 357 CB ILE A 23 64.387 -3.371 6.080 1.00 0.00 C ATOM 358 CG1 ILE A 23 63.596 -4.675 5.852 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.572 -2.640 4.753 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.459 -5.732 5.139 1.00 0.00 C ATOM 0 H ILE A 23 64.836 -5.443 7.364 1.00 0.00 H new ATOM 0 HA ILE A 23 66.459 -3.968 5.950 1.00 0.00 H new ATOM 0 HB ILE A 23 63.829 -2.726 6.759 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.253 -5.067 6.809 1.00 0.00 H new ATOM 0 HG13 ILE A 23 62.707 -4.465 5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.596 -2.427 4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.105 -1.705 4.924 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.147 -3.265 4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 23 63.874 -6.640 4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 23 64.780 -5.347 4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 23 65.334 -5.958 5.748 1.00 0.00 H new ATOM 372 N GLU A 24 65.858 -2.218 8.649 1.00 0.00 N ATOM 373 CA GLU A 24 66.335 -1.073 9.414 1.00 0.00 C ATOM 374 C GLU A 24 67.809 -1.270 9.775 1.00 0.00 C ATOM 375 O GLU A 24 68.639 -0.390 9.549 1.00 0.00 O ATOM 376 CB GLU A 24 65.491 -0.912 10.683 1.00 0.00 C ATOM 377 CG GLU A 24 65.807 0.430 11.350 1.00 0.00 C ATOM 378 CD GLU A 24 65.522 0.345 12.847 1.00 0.00 C ATOM 379 OE1 GLU A 24 66.418 -0.041 13.580 1.00 0.00 O ATOM 380 OE2 GLU A 24 64.411 0.664 13.237 1.00 0.00 O ATOM 0 H GLU A 24 65.183 -2.807 9.137 1.00 0.00 H new ATOM 0 HA GLU A 24 66.240 -0.169 8.812 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.431 -0.964 10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.697 -1.729 11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.852 0.691 11.184 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.205 1.220 10.901 1.00 0.00 H new ATOM 387 N ASN A 25 68.124 -2.443 10.319 1.00 0.00 N ATOM 388 CA ASN A 25 69.497 -2.775 10.690 1.00 0.00 C ATOM 389 C ASN A 25 70.351 -2.988 9.444 1.00 0.00 C ATOM 390 O ASN A 25 71.487 -2.515 9.370 1.00 0.00 O ATOM 391 CB ASN A 25 69.514 -4.055 11.534 1.00 0.00 C ATOM 392 CG ASN A 25 70.052 -3.745 12.926 1.00 0.00 C ATOM 393 OD1 ASN A 25 69.328 -3.208 13.765 1.00 0.00 O ATOM 394 ND2 ASN A 25 71.290 -4.033 13.219 1.00 0.00 N ATOM 0 H ASN A 25 67.446 -3.180 10.513 1.00 0.00 H new ATOM 0 HA ASN A 25 69.907 -1.946 11.267 1.00 0.00 H new ATOM 0 HB2 ASN A 25 68.508 -4.468 11.606 1.00 0.00 H new ATOM 0 HB3 ASN A 25 70.135 -4.811 11.053 1.00 0.00 H new ATOM 0 HD21 ASN A 25 71.659 -3.813 14.144 1.00 0.00 H new ATOM 0 HD22 ASN A 25 71.889 -4.478 12.523 1.00 0.00 H new ATOM 401 N ALA A 26 69.800 -3.709 8.473 1.00 0.00 N ATOM 402 CA ALA A 26 70.519 -3.988 7.234 1.00 0.00 C ATOM 403 C ALA A 26 70.912 -2.695 6.531 1.00 0.00 C ATOM 404 O ALA A 26 72.019 -2.575 6.002 1.00 0.00 O ATOM 405 CB ALA A 26 69.648 -4.833 6.303 1.00 0.00 C ATOM 0 H ALA A 26 68.863 -4.109 8.519 1.00 0.00 H new ATOM 0 HA ALA A 26 71.426 -4.538 7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.192 -5.037 5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.399 -5.774 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.731 -4.291 6.071 1.00 0.00 H new ATOM 411 N LYS A 27 70.003 -1.727 6.528 1.00 0.00 N ATOM 412 CA LYS A 27 70.270 -0.445 5.884 1.00 0.00 C ATOM 413 C LYS A 27 71.471 0.234 6.534 1.00 0.00 C ATOM 414 O LYS A 27 72.225 0.949 5.872 1.00 0.00 O ATOM 415 CB LYS A 27 69.044 0.464 6.005 1.00 0.00 C ATOM 416 CG LYS A 27 68.114 0.241 4.810 1.00 0.00 C ATOM 417 CD LYS A 27 66.880 1.136 4.953 1.00 0.00 C ATOM 418 CE LYS A 27 65.851 0.764 3.885 1.00 0.00 C ATOM 419 NZ LYS A 27 65.140 1.994 3.435 1.00 0.00 N ATOM 0 H LYS A 27 69.082 -1.803 6.960 1.00 0.00 H new ATOM 0 HA LYS A 27 70.488 -0.623 4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.514 0.254 6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.356 1.508 6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.636 0.469 3.881 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.814 -0.806 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.447 1.019 5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 27 67.164 2.183 4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 27 66.345 0.286 3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 27 65.138 0.044 4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 64.120 1.888 3.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 65.498 2.815 3.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 65.306 2.138 2.418 1.00 0.00 H new ATOM 433 N ALA A 28 71.640 0.007 7.831 1.00 0.00 N ATOM 434 CA ALA A 28 72.751 0.603 8.564 1.00 0.00 C ATOM 435 C ALA A 28 74.082 0.039 8.077 1.00 0.00 C ATOM 436 O ALA A 28 75.055 0.775 7.911 1.00 0.00 O ATOM 437 CB ALA A 28 72.596 0.324 10.061 1.00 0.00 C ATOM 0 H ALA A 28 71.026 -0.582 8.394 1.00 0.00 H new ATOM 0 HA ALA A 28 72.740 1.679 8.389 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.429 0.772 10.603 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.659 0.754 10.416 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.589 -0.753 10.232 1.00 0.00 H new ATOM 443 N LYS A 29 74.118 -1.270 7.849 1.00 0.00 N ATOM 444 CA LYS A 29 75.336 -1.921 7.382 1.00 0.00 C ATOM 445 C LYS A 29 75.762 -1.355 6.031 1.00 0.00 C ATOM 446 O LYS A 29 76.944 -1.094 5.802 1.00 0.00 O ATOM 447 CB LYS A 29 75.109 -3.429 7.258 1.00 0.00 C ATOM 448 CG LYS A 29 75.779 -4.146 8.432 1.00 0.00 C ATOM 449 CD LYS A 29 75.392 -5.626 8.416 1.00 0.00 C ATOM 450 CE LYS A 29 76.247 -6.389 9.429 1.00 0.00 C ATOM 451 NZ LYS A 29 77.393 -7.031 8.727 1.00 0.00 N ATOM 0 H LYS A 29 73.324 -1.897 7.979 1.00 0.00 H new ATOM 0 HA LYS A 29 76.127 -1.732 8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 29 74.041 -3.647 7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.518 -3.792 6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.862 -4.042 8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 29 75.473 -3.689 9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.335 -5.739 8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.536 -6.040 7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.613 -5.709 10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 29 75.645 -7.145 9.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 78.228 -7.022 9.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 77.148 -8.014 8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 77.604 -6.506 7.854 1.00 0.00 H new ATOM 465 N ILE A 30 74.794 -1.168 5.141 1.00 0.00 N ATOM 466 CA ILE A 30 75.084 -0.631 3.817 1.00 0.00 C ATOM 467 C ILE A 30 75.462 0.842 3.909 1.00 0.00 C ATOM 468 O ILE A 30 76.336 1.317 3.184 1.00 0.00 O ATOM 469 CB ILE A 30 73.866 -0.793 2.910 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.845 -2.216 2.352 1.00 0.00 C ATOM 471 CG2 ILE A 30 73.949 0.206 1.754 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.473 -2.504 1.753 1.00 0.00 C ATOM 0 H ILE A 30 73.810 -1.378 5.310 1.00 0.00 H new ATOM 0 HA ILE A 30 75.924 -1.184 3.396 1.00 0.00 H new ATOM 0 HB ILE A 30 72.957 -0.606 3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.618 -2.332 1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 30 74.066 -2.932 3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.079 0.088 1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 30 73.972 1.221 2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 30 74.856 0.021 1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.456 -3.518 1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.711 -2.405 2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.270 -1.795 0.950 1.00 0.00 H new ATOM 484 N GLN A 31 74.797 1.560 4.808 1.00 0.00 N ATOM 485 CA GLN A 31 75.070 2.980 4.992 1.00 0.00 C ATOM 486 C GLN A 31 76.519 3.199 5.410 1.00 0.00 C ATOM 487 O GLN A 31 77.202 4.073 4.883 1.00 0.00 O ATOM 488 CB GLN A 31 74.134 3.556 6.057 1.00 0.00 C ATOM 489 CG GLN A 31 74.420 5.049 6.239 1.00 0.00 C ATOM 490 CD GLN A 31 75.050 5.295 7.605 1.00 0.00 C ATOM 491 OE1 GLN A 31 76.274 5.386 7.719 1.00 0.00 O ATOM 492 NE2 GLN A 31 74.284 5.412 8.654 1.00 0.00 N ATOM 0 H GLN A 31 74.070 1.185 5.417 1.00 0.00 H new ATOM 0 HA GLN A 31 74.899 3.490 4.044 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.095 3.408 5.761 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.275 3.031 7.002 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.089 5.398 5.452 1.00 0.00 H new ATOM 0 HG3 GLN A 31 73.495 5.619 6.148 1.00 0.00 H new ATOM 0 HE21 GLN A 31 73.271 5.336 8.557 1.00 0.00 H new ATOM 0 HE22 GLN A 31 74.697 5.579 9.571 1.00 0.00 H new ATOM 501 N ASP A 32 76.985 2.401 6.362 1.00 0.00 N ATOM 502 CA ASP A 32 78.355 2.523 6.842 1.00 0.00 C ATOM 503 C ASP A 32 79.350 2.155 5.743 1.00 0.00 C ATOM 504 O ASP A 32 80.538 2.458 5.843 1.00 0.00 O ATOM 505 CB ASP A 32 78.570 1.614 8.053 1.00 0.00 C ATOM 506 CG ASP A 32 78.649 2.454 9.324 1.00 0.00 C ATOM 507 OD1 ASP A 32 79.456 3.367 9.356 1.00 0.00 O ATOM 508 OD2 ASP A 32 77.896 2.175 10.243 1.00 0.00 O ATOM 0 H ASP A 32 76.439 1.668 6.814 1.00 0.00 H new ATOM 0 HA ASP A 32 78.523 3.560 7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 32 77.753 0.897 8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.488 1.039 7.929 1.00 0.00 H new ATOM 513 N LYS A 33 78.860 1.486 4.703 1.00 0.00 N ATOM 514 CA LYS A 33 79.721 1.068 3.602 1.00 0.00 C ATOM 515 C LYS A 33 79.696 2.074 2.450 1.00 0.00 C ATOM 516 O LYS A 33 80.737 2.378 1.867 1.00 0.00 O ATOM 517 CB LYS A 33 79.269 -0.299 3.082 1.00 0.00 C ATOM 518 CG LYS A 33 79.678 -1.392 4.072 1.00 0.00 C ATOM 519 CD LYS A 33 80.868 -2.170 3.506 1.00 0.00 C ATOM 520 CE LYS A 33 81.321 -3.221 4.521 1.00 0.00 C ATOM 521 NZ LYS A 33 82.732 -2.952 4.919 1.00 0.00 N ATOM 0 H LYS A 33 77.880 1.224 4.600 1.00 0.00 H new ATOM 0 HA LYS A 33 80.740 1.010 3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.188 -0.306 2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.716 -0.493 2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.943 -0.948 5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.841 -2.066 4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 33 80.589 -2.651 2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.688 -1.488 3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 33 80.674 -3.198 5.398 1.00 0.00 H new ATOM 0 HE3 LYS A 33 81.238 -4.218 4.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 83.040 -3.666 5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 83.344 -2.995 4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 82.798 -2.006 5.347 1.00 0.00 H new ATOM 535 N GLU A 34 78.508 2.571 2.113 1.00 0.00 N ATOM 536 CA GLU A 34 78.375 3.521 1.008 1.00 0.00 C ATOM 537 C GLU A 34 78.145 4.946 1.509 1.00 0.00 C ATOM 538 O GLU A 34 78.437 5.911 0.802 1.00 0.00 O ATOM 539 CB GLU A 34 77.208 3.105 0.111 1.00 0.00 C ATOM 540 CG GLU A 34 77.512 1.751 -0.528 1.00 0.00 C ATOM 541 CD GLU A 34 78.093 1.950 -1.925 1.00 0.00 C ATOM 542 OE1 GLU A 34 77.313 2.077 -2.856 1.00 0.00 O ATOM 543 OE2 GLU A 34 79.306 1.974 -2.043 1.00 0.00 O ATOM 0 H GLU A 34 77.633 2.336 2.582 1.00 0.00 H new ATOM 0 HA GLU A 34 79.308 3.508 0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 34 76.290 3.045 0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 34 77.045 3.855 -0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 34 78.217 1.197 0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 34 76.601 1.155 -0.586 1.00 0.00 H new ATOM 550 N GLY A 35 77.617 5.078 2.719 1.00 0.00 N ATOM 551 CA GLY A 35 77.352 6.400 3.279 1.00 0.00 C ATOM 552 C GLY A 35 76.005 6.929 2.798 1.00 0.00 C ATOM 553 O GLY A 35 75.815 8.136 2.652 1.00 0.00 O ATOM 0 H GLY A 35 77.366 4.298 3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 35 77.360 6.347 4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.144 7.089 2.987 1.00 0.00 H new ATOM 557 N ILE A 36 75.075 6.013 2.549 1.00 0.00 N ATOM 558 CA ILE A 36 73.746 6.389 2.079 1.00 0.00 C ATOM 559 C ILE A 36 72.735 6.328 3.235 1.00 0.00 C ATOM 560 O ILE A 36 72.347 5.238 3.651 1.00 0.00 O ATOM 561 CB ILE A 36 73.298 5.428 0.972 1.00 0.00 C ATOM 562 CG1 ILE A 36 74.379 5.353 -0.114 1.00 0.00 C ATOM 563 CG2 ILE A 36 71.996 5.938 0.354 1.00 0.00 C ATOM 564 CD1 ILE A 36 74.032 4.240 -1.109 1.00 0.00 C ATOM 0 H ILE A 36 75.216 5.009 2.664 1.00 0.00 H new ATOM 0 HA ILE A 36 73.789 7.407 1.691 1.00 0.00 H new ATOM 0 HB ILE A 36 73.140 4.436 1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 36 74.454 6.308 -0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 36 75.351 5.159 0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 36 71.676 5.256 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.225 5.992 1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.158 6.930 -0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 36 74.801 4.188 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 36 73.979 3.286 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 36 73.068 4.453 -1.572 1.00 0.00 H new ATOM 576 N PRO A 37 72.301 7.452 3.772 1.00 0.00 N ATOM 577 CA PRO A 37 71.325 7.457 4.901 1.00 0.00 C ATOM 578 C PRO A 37 70.149 6.499 4.646 1.00 0.00 C ATOM 579 O PRO A 37 69.660 6.412 3.520 1.00 0.00 O ATOM 580 CB PRO A 37 70.844 8.907 4.955 1.00 0.00 C ATOM 581 CG PRO A 37 71.971 9.713 4.402 1.00 0.00 C ATOM 582 CD PRO A 37 72.678 8.825 3.379 1.00 0.00 C ATOM 0 HA PRO A 37 71.773 7.118 5.835 1.00 0.00 H new ATOM 0 HB2 PRO A 37 69.937 9.043 4.367 1.00 0.00 H new ATOM 0 HB3 PRO A 37 70.610 9.206 5.976 1.00 0.00 H new ATOM 0 HG2 PRO A 37 71.602 10.626 3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 37 72.657 10.015 5.193 1.00 0.00 H new ATOM 0 HD2 PRO A 37 72.355 9.052 2.363 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.759 8.966 3.408 1.00 0.00 H new ATOM 590 N PRO A 38 69.682 5.782 5.648 1.00 0.00 N ATOM 591 CA PRO A 38 68.543 4.834 5.481 1.00 0.00 C ATOM 592 C PRO A 38 67.426 5.405 4.610 1.00 0.00 C ATOM 593 O PRO A 38 66.771 4.673 3.866 1.00 0.00 O ATOM 594 CB PRO A 38 68.045 4.612 6.909 1.00 0.00 C ATOM 595 CG PRO A 38 69.223 4.854 7.793 1.00 0.00 C ATOM 596 CD PRO A 38 70.175 5.788 7.040 1.00 0.00 C ATOM 0 HA PRO A 38 68.854 3.919 4.977 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.229 5.294 7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.662 3.600 7.037 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.910 5.303 8.736 1.00 0.00 H new ATOM 0 HG3 PRO A 38 69.720 3.915 8.037 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.159 6.793 7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.204 5.434 7.097 1.00 0.00 H new ATOM 604 N ASP A 39 67.204 6.711 4.716 1.00 0.00 N ATOM 605 CA ASP A 39 66.153 7.365 3.941 1.00 0.00 C ATOM 606 C ASP A 39 66.447 7.299 2.447 1.00 0.00 C ATOM 607 O ASP A 39 65.529 7.290 1.626 1.00 0.00 O ATOM 608 CB ASP A 39 66.022 8.826 4.375 1.00 0.00 C ATOM 609 CG ASP A 39 65.007 8.942 5.507 1.00 0.00 C ATOM 610 OD1 ASP A 39 65.321 8.508 6.603 1.00 0.00 O ATOM 611 OD2 ASP A 39 63.928 9.456 5.261 1.00 0.00 O ATOM 0 H ASP A 39 67.733 7.335 5.326 1.00 0.00 H new ATOM 0 HA ASP A 39 65.217 6.840 4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 39 66.990 9.205 4.702 1.00 0.00 H new ATOM 0 HB3 ASP A 39 65.709 9.439 3.530 1.00 0.00 H new ATOM 616 N GLN A 40 67.727 7.258 2.094 1.00 0.00 N ATOM 617 CA GLN A 40 68.116 7.196 0.689 1.00 0.00 C ATOM 618 C GLN A 40 68.438 5.762 0.280 1.00 0.00 C ATOM 619 O GLN A 40 68.959 5.523 -0.810 1.00 0.00 O ATOM 620 CB GLN A 40 69.336 8.087 0.446 1.00 0.00 C ATOM 621 CG GLN A 40 68.871 9.474 -0.006 1.00 0.00 C ATOM 622 CD GLN A 40 70.009 10.477 0.136 1.00 0.00 C ATOM 623 OE1 GLN A 40 70.342 11.178 -0.820 1.00 0.00 O ATOM 624 NE2 GLN A 40 70.630 10.593 1.278 1.00 0.00 N ATOM 0 H GLN A 40 68.506 7.266 2.753 1.00 0.00 H new ATOM 0 HA GLN A 40 67.281 7.551 0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.928 8.169 1.358 1.00 0.00 H new ATOM 0 HB3 GLN A 40 69.980 7.642 -0.313 1.00 0.00 H new ATOM 0 HG2 GLN A 40 68.537 9.435 -1.043 1.00 0.00 H new ATOM 0 HG3 GLN A 40 68.017 9.793 0.592 1.00 0.00 H new ATOM 0 HE21 GLN A 40 70.354 10.012 2.070 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.391 11.264 1.379 1.00 0.00 H new ATOM 633 N GLN A 41 68.125 4.815 1.160 1.00 0.00 N ATOM 634 CA GLN A 41 68.385 3.405 0.881 1.00 0.00 C ATOM 635 C GLN A 41 67.083 2.663 0.600 1.00 0.00 C ATOM 636 O GLN A 41 66.120 2.768 1.361 1.00 0.00 O ATOM 637 CB GLN A 41 69.088 2.759 2.075 1.00 0.00 C ATOM 638 CG GLN A 41 70.487 3.357 2.235 1.00 0.00 C ATOM 639 CD GLN A 41 71.280 2.554 3.261 1.00 0.00 C ATOM 640 OE1 GLN A 41 70.740 1.646 3.894 1.00 0.00 O ATOM 641 NE2 GLN A 41 72.538 2.835 3.466 1.00 0.00 N ATOM 0 H GLN A 41 67.694 4.996 2.067 1.00 0.00 H new ATOM 0 HA GLN A 41 69.024 3.342 0.001 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.507 2.921 2.983 1.00 0.00 H new ATOM 0 HB3 GLN A 41 69.157 1.681 1.929 1.00 0.00 H new ATOM 0 HG2 GLN A 41 71.006 3.352 1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.413 4.397 2.552 1.00 0.00 H new ATOM 0 HE21 GLN A 41 72.985 3.587 2.941 1.00 0.00 H new ATOM 0 HE22 GLN A 41 73.074 2.302 4.151 1.00 0.00 H new ATOM 650 N ARG A 42 67.064 1.906 -0.493 1.00 0.00 N ATOM 651 CA ARG A 42 65.880 1.139 -0.867 1.00 0.00 C ATOM 652 C ARG A 42 66.267 -0.295 -1.210 1.00 0.00 C ATOM 653 O ARG A 42 66.876 -0.552 -2.248 1.00 0.00 O ATOM 654 CB ARG A 42 65.193 1.785 -2.068 1.00 0.00 C ATOM 655 CG ARG A 42 63.773 2.197 -1.678 1.00 0.00 C ATOM 656 CD ARG A 42 63.080 2.838 -2.879 1.00 0.00 C ATOM 657 NE ARG A 42 61.631 2.760 -2.729 1.00 0.00 N ATOM 658 CZ ARG A 42 60.979 3.591 -1.923 1.00 0.00 C ATOM 659 NH1 ARG A 42 59.682 3.499 -1.803 1.00 0.00 N ATOM 660 NH2 ARG A 42 61.633 4.498 -1.252 1.00 0.00 N ATOM 0 H ARG A 42 67.852 1.807 -1.133 1.00 0.00 H new ATOM 0 HA ARG A 42 65.192 1.130 -0.022 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.758 2.656 -2.400 1.00 0.00 H new ATOM 0 HB3 ARG A 42 65.164 1.086 -2.904 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.210 1.326 -1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.803 2.899 -0.845 1.00 0.00 H new ATOM 0 HD2 ARG A 42 63.387 3.880 -2.971 1.00 0.00 H new ATOM 0 HD3 ARG A 42 63.385 2.333 -3.796 1.00 0.00 H new ATOM 0 HE ARG A 42 61.110 2.056 -3.252 1.00 0.00 H new ATOM 0 HH11 ARG A 42 59.170 2.790 -2.328 1.00 0.00 H new ATOM 0 HH12 ARG A 42 59.181 4.136 -1.184 1.00 0.00 H new ATOM 0 HH21 ARG A 42 62.646 4.570 -1.346 1.00 0.00 H new ATOM 0 HH22 ARG A 42 61.131 5.135 -0.634 1.00 0.00 H new ATOM 674 N LEU A 43 65.915 -1.228 -0.330 1.00 0.00 N ATOM 675 CA LEU A 43 66.239 -2.632 -0.554 1.00 0.00 C ATOM 676 C LEU A 43 65.066 -3.359 -1.203 1.00 0.00 C ATOM 677 O LEU A 43 63.969 -3.403 -0.649 1.00 0.00 O ATOM 678 CB LEU A 43 66.587 -3.306 0.776 1.00 0.00 C ATOM 679 CG LEU A 43 68.109 -3.349 0.951 1.00 0.00 C ATOM 680 CD1 LEU A 43 68.445 -3.782 2.379 1.00 0.00 C ATOM 681 CD2 LEU A 43 68.725 -4.349 -0.037 1.00 0.00 C ATOM 0 H LEU A 43 65.410 -1.040 0.536 1.00 0.00 H new ATOM 0 HA LEU A 43 67.097 -2.684 -1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 43 66.132 -2.759 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.180 -4.317 0.800 1.00 0.00 H new ATOM 0 HG LEU A 43 68.516 -2.356 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 43 69.527 -3.813 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 43 68.018 -3.070 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 43 68.030 -4.772 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 43 69.807 -4.372 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 43 68.316 -5.342 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 43 68.491 -4.044 -1.057 1.00 0.00 H new ATOM 693 N ILE A 44 65.314 -3.931 -2.379 1.00 0.00 N ATOM 694 CA ILE A 44 64.279 -4.663 -3.106 1.00 0.00 C ATOM 695 C ILE A 44 64.669 -6.133 -3.236 1.00 0.00 C ATOM 696 O ILE A 44 65.839 -6.457 -3.440 1.00 0.00 O ATOM 697 CB ILE A 44 64.089 -4.057 -4.502 1.00 0.00 C ATOM 698 CG1 ILE A 44 63.155 -2.845 -4.422 1.00 0.00 C ATOM 699 CG2 ILE A 44 63.475 -5.104 -5.436 1.00 0.00 C ATOM 700 CD1 ILE A 44 63.771 -1.764 -3.531 1.00 0.00 C ATOM 0 H ILE A 44 66.219 -3.902 -2.848 1.00 0.00 H new ATOM 0 HA ILE A 44 63.344 -4.588 -2.551 1.00 0.00 H new ATOM 0 HB ILE A 44 65.059 -3.742 -4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 44 62.978 -2.446 -5.421 1.00 0.00 H new ATOM 0 HG13 ILE A 44 62.187 -3.148 -4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 44 63.340 -4.672 -6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 44 64.139 -5.966 -5.502 1.00 0.00 H new ATOM 0 HG23 ILE A 44 62.508 -5.420 -5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 44 63.099 -0.907 -3.481 1.00 0.00 H new ATOM 0 HD12 ILE A 44 63.925 -2.163 -2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 44 64.728 -1.451 -3.948 1.00 0.00 H new ATOM 712 N PHE A 45 63.683 -7.017 -3.122 1.00 0.00 N ATOM 713 CA PHE A 45 63.941 -8.449 -3.234 1.00 0.00 C ATOM 714 C PHE A 45 62.679 -9.187 -3.669 1.00 0.00 C ATOM 715 O PHE A 45 61.606 -8.991 -3.098 1.00 0.00 O ATOM 716 CB PHE A 45 64.425 -9.007 -1.893 1.00 0.00 C ATOM 717 CG PHE A 45 64.496 -10.513 -1.972 1.00 0.00 C ATOM 718 CD1 PHE A 45 65.552 -11.127 -2.655 1.00 0.00 C ATOM 719 CD2 PHE A 45 63.507 -11.295 -1.364 1.00 0.00 C ATOM 720 CE1 PHE A 45 65.619 -12.524 -2.730 1.00 0.00 C ATOM 721 CE2 PHE A 45 63.574 -12.692 -1.440 1.00 0.00 C ATOM 722 CZ PHE A 45 64.630 -13.305 -2.123 1.00 0.00 C ATOM 0 H PHE A 45 62.707 -6.771 -2.954 1.00 0.00 H new ATOM 0 HA PHE A 45 64.716 -8.599 -3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 45 65.406 -8.598 -1.649 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.747 -8.705 -1.095 1.00 0.00 H new ATOM 0 HD1 PHE A 45 66.315 -10.524 -3.124 1.00 0.00 H new ATOM 0 HD2 PHE A 45 62.692 -10.821 -0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 45 66.434 -12.998 -3.256 1.00 0.00 H new ATOM 0 HE2 PHE A 45 62.811 -13.296 -0.972 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.682 -14.382 -2.182 1.00 0.00 H new ATOM 732 N ALA A 46 62.814 -10.032 -4.685 1.00 0.00 N ATOM 733 CA ALA A 46 61.677 -10.792 -5.189 1.00 0.00 C ATOM 734 C ALA A 46 60.723 -9.879 -5.953 1.00 0.00 C ATOM 735 O ALA A 46 59.541 -10.188 -6.104 1.00 0.00 O ATOM 736 CB ALA A 46 60.933 -11.453 -4.028 1.00 0.00 C ATOM 0 H ALA A 46 63.693 -10.207 -5.173 1.00 0.00 H new ATOM 0 HA ALA A 46 62.048 -11.562 -5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.085 -12.019 -4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.608 -12.126 -3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.575 -10.686 -3.341 1.00 0.00 H new ATOM 742 N GLY A 47 61.245 -8.755 -6.432 1.00 0.00 N ATOM 743 CA GLY A 47 60.430 -7.804 -7.179 1.00 0.00 C ATOM 744 C GLY A 47 59.550 -6.986 -6.238 1.00 0.00 C ATOM 745 O GLY A 47 58.867 -6.056 -6.666 1.00 0.00 O ATOM 0 H GLY A 47 62.221 -8.481 -6.318 1.00 0.00 H new ATOM 0 HA2 GLY A 47 61.075 -7.138 -7.752 1.00 0.00 H new ATOM 0 HA3 GLY A 47 59.806 -8.338 -7.896 1.00 0.00 H new ATOM 749 N LYS A 48 59.577 -7.341 -4.956 1.00 0.00 N ATOM 750 CA LYS A 48 58.780 -6.634 -3.959 1.00 0.00 C ATOM 751 C LYS A 48 59.667 -5.746 -3.094 1.00 0.00 C ATOM 752 O LYS A 48 60.813 -6.091 -2.803 1.00 0.00 O ATOM 753 CB LYS A 48 58.047 -7.642 -3.073 1.00 0.00 C ATOM 754 CG LYS A 48 56.538 -7.507 -3.284 1.00 0.00 C ATOM 755 CD LYS A 48 55.810 -8.594 -2.489 1.00 0.00 C ATOM 756 CE LYS A 48 55.665 -9.848 -3.354 1.00 0.00 C ATOM 757 NZ LYS A 48 54.422 -9.748 -4.171 1.00 0.00 N ATOM 0 H LYS A 48 60.138 -8.108 -4.586 1.00 0.00 H new ATOM 0 HA LYS A 48 58.055 -6.007 -4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 48 58.369 -8.655 -3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 48 58.295 -7.469 -2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 48 56.202 -6.521 -2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 48 56.299 -7.596 -4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 48 56.365 -8.828 -1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 48 54.828 -8.237 -2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 48 56.533 -9.956 -4.005 1.00 0.00 H new ATOM 0 HE3 LYS A 48 55.627 -10.736 -2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 54.323 -10.600 -4.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 53.598 -9.665 -3.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 54.476 -8.909 -4.784 1.00 0.00 H new ATOM 771 N GLN A 49 59.129 -4.603 -2.682 1.00 0.00 N ATOM 772 CA GLN A 49 59.880 -3.673 -1.846 1.00 0.00 C ATOM 773 C GLN A 49 59.757 -4.063 -0.376 1.00 0.00 C ATOM 774 O GLN A 49 58.676 -4.413 0.095 1.00 0.00 O ATOM 775 CB GLN A 49 59.357 -2.249 -2.045 1.00 0.00 C ATOM 776 CG GLN A 49 60.419 -1.248 -1.587 1.00 0.00 C ATOM 777 CD GLN A 49 59.750 -0.009 -1.003 1.00 0.00 C ATOM 778 OE1 GLN A 49 58.892 0.597 -1.645 1.00 0.00 O ATOM 779 NE2 GLN A 49 60.094 0.408 0.186 1.00 0.00 N ATOM 0 H GLN A 49 58.183 -4.300 -2.911 1.00 0.00 H new ATOM 0 HA GLN A 49 60.929 -3.715 -2.137 1.00 0.00 H new ATOM 0 HB2 GLN A 49 59.114 -2.083 -3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 49 58.437 -2.105 -1.478 1.00 0.00 H new ATOM 0 HG2 GLN A 49 61.066 -1.708 -0.840 1.00 0.00 H new ATOM 0 HG3 GLN A 49 61.053 -0.967 -2.428 1.00 0.00 H new ATOM 0 HE21 GLN A 49 60.805 -0.095 0.717 1.00 0.00 H new ATOM 0 HE22 GLN A 49 59.652 1.237 0.584 1.00 0.00 H new ATOM 788 N LEU A 50 60.874 -4.002 0.343 1.00 0.00 N ATOM 789 CA LEU A 50 60.877 -4.353 1.758 1.00 0.00 C ATOM 790 C LEU A 50 60.617 -3.122 2.622 1.00 0.00 C ATOM 791 O LEU A 50 61.307 -2.110 2.499 1.00 0.00 O ATOM 792 CB LEU A 50 62.224 -4.971 2.141 1.00 0.00 C ATOM 793 CG LEU A 50 62.686 -5.929 1.041 1.00 0.00 C ATOM 794 CD1 LEU A 50 63.910 -6.709 1.525 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.558 -6.909 0.710 1.00 0.00 C ATOM 0 H LEU A 50 61.780 -3.716 -0.027 1.00 0.00 H new ATOM 0 HA LEU A 50 60.081 -5.077 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 50 62.966 -4.186 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 50 62.134 -5.505 3.087 1.00 0.00 H new ATOM 0 HG LEU A 50 62.946 -5.358 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.240 -7.392 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.715 -6.013 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 50 63.649 -7.279 2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 50 61.887 -7.591 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.298 -7.479 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.684 -6.355 0.366 1.00 0.00 H new ATOM 807 N GLU A 51 59.623 -3.220 3.499 1.00 0.00 N ATOM 808 CA GLU A 51 59.284 -2.112 4.385 1.00 0.00 C ATOM 809 C GLU A 51 60.094 -2.201 5.670 1.00 0.00 C ATOM 810 O GLU A 51 60.497 -3.287 6.087 1.00 0.00 O ATOM 811 CB GLU A 51 57.789 -2.143 4.715 1.00 0.00 C ATOM 812 CG GLU A 51 57.022 -1.328 3.673 1.00 0.00 C ATOM 813 CD GLU A 51 55.523 -1.403 3.950 1.00 0.00 C ATOM 814 OE1 GLU A 51 55.161 -1.881 5.013 1.00 0.00 O ATOM 815 OE2 GLU A 51 54.762 -0.981 3.097 1.00 0.00 O ATOM 0 H GLU A 51 59.041 -4.050 3.615 1.00 0.00 H new ATOM 0 HA GLU A 51 59.520 -1.176 3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.429 -3.172 4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.617 -1.735 5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 51 57.353 -0.290 3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 51 57.235 -1.708 2.674 1.00 0.00 H new ATOM 822 N ASP A 52 60.337 -1.053 6.292 1.00 0.00 N ATOM 823 CA ASP A 52 61.108 -1.021 7.524 1.00 0.00 C ATOM 824 C ASP A 52 60.291 -1.582 8.686 1.00 0.00 C ATOM 825 O ASP A 52 59.264 -1.017 9.064 1.00 0.00 O ATOM 826 CB ASP A 52 61.535 0.412 7.836 1.00 0.00 C ATOM 827 CG ASP A 52 60.862 1.383 6.873 1.00 0.00 C ATOM 828 OD1 ASP A 52 61.577 2.109 6.200 1.00 0.00 O ATOM 829 OD2 ASP A 52 59.645 1.382 6.815 1.00 0.00 O ATOM 0 H ASP A 52 60.014 -0.142 5.966 1.00 0.00 H new ATOM 0 HA ASP A 52 61.995 -1.640 7.391 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.269 0.663 8.863 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.618 0.502 7.757 1.00 0.00 H new ATOM 834 N GLY A 53 60.754 -2.696 9.246 1.00 0.00 N ATOM 835 CA GLY A 53 60.058 -3.325 10.365 1.00 0.00 C ATOM 836 C GLY A 53 60.129 -4.845 10.266 1.00 0.00 C ATOM 837 O GLY A 53 60.254 -5.537 11.276 1.00 0.00 O ATOM 0 H GLY A 53 61.601 -3.179 8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.502 -2.997 11.305 1.00 0.00 H new ATOM 0 HA3 GLY A 53 59.016 -3.006 10.376 1.00 0.00 H new ATOM 841 N ARG A 54 60.053 -5.359 9.043 1.00 0.00 N ATOM 842 CA ARG A 54 60.116 -6.799 8.824 1.00 0.00 C ATOM 843 C ARG A 54 61.567 -7.255 8.821 1.00 0.00 C ATOM 844 O ARG A 54 62.459 -6.479 8.483 1.00 0.00 O ATOM 845 CB ARG A 54 59.472 -7.161 7.485 1.00 0.00 C ATOM 846 CG ARG A 54 58.365 -6.156 7.152 1.00 0.00 C ATOM 847 CD ARG A 54 57.375 -6.087 8.314 1.00 0.00 C ATOM 848 NE ARG A 54 56.027 -5.837 7.813 1.00 0.00 N ATOM 849 CZ ARG A 54 55.068 -5.383 8.613 1.00 0.00 C ATOM 850 NH1 ARG A 54 53.877 -5.153 8.135 1.00 0.00 N ATOM 851 NH2 ARG A 54 55.319 -5.167 9.875 1.00 0.00 N ATOM 0 H ARG A 54 59.948 -4.804 8.194 1.00 0.00 H new ATOM 0 HA ARG A 54 59.575 -7.298 9.628 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.225 -7.160 6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 54 59.059 -8.169 7.530 1.00 0.00 H new ATOM 0 HG2 ARG A 54 58.796 -5.172 6.968 1.00 0.00 H new ATOM 0 HG3 ARG A 54 57.850 -6.455 6.239 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.395 -7.022 8.874 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.667 -5.295 9.004 1.00 0.00 H new ATOM 0 HE ARG A 54 55.817 -6.014 6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 54 53.682 -5.322 7.148 1.00 0.00 H new ATOM 0 HH12 ARG A 54 53.140 -4.805 8.748 1.00 0.00 H new ATOM 0 HH21 ARG A 54 56.251 -5.347 10.248 1.00 0.00 H new ATOM 0 HH22 ARG A 54 54.583 -4.818 10.489 1.00 0.00 H new ATOM 865 N THR A 55 61.805 -8.507 9.206 1.00 0.00 N ATOM 866 CA THR A 55 63.166 -9.023 9.246 1.00 0.00 C ATOM 867 C THR A 55 63.467 -9.933 8.071 1.00 0.00 C ATOM 868 O THR A 55 62.568 -10.339 7.333 1.00 0.00 O ATOM 869 CB THR A 55 63.421 -9.755 10.557 1.00 0.00 C ATOM 870 OG1 THR A 55 62.661 -10.955 10.597 1.00 0.00 O ATOM 871 CG2 THR A 55 63.019 -8.841 11.703 1.00 0.00 C ATOM 0 H THR A 55 61.085 -9.171 9.490 1.00 0.00 H new ATOM 0 HA THR A 55 63.837 -8.167 9.177 1.00 0.00 H new ATOM 0 HB THR A 55 64.476 -10.014 10.643 1.00 0.00 H new ATOM 0 HG1 THR A 55 63.265 -11.726 10.574 1.00 0.00 H new ATOM 0 HG21 THR A 55 63.194 -9.348 12.652 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.612 -7.927 11.665 1.00 0.00 H new ATOM 0 HG23 THR A 55 61.962 -8.591 11.615 1.00 0.00 H new ATOM 879 N LEU A 56 64.748 -10.243 7.901 1.00 0.00 N ATOM 880 CA LEU A 56 65.168 -11.097 6.807 1.00 0.00 C ATOM 881 C LEU A 56 64.424 -12.425 6.885 1.00 0.00 C ATOM 882 O LEU A 56 64.097 -13.030 5.863 1.00 0.00 O ATOM 883 CB LEU A 56 66.679 -11.373 6.888 1.00 0.00 C ATOM 884 CG LEU A 56 67.496 -10.122 6.531 1.00 0.00 C ATOM 885 CD1 LEU A 56 68.983 -10.451 6.644 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.203 -9.688 5.095 1.00 0.00 C ATOM 0 H LEU A 56 65.504 -9.917 8.503 1.00 0.00 H new ATOM 0 HA LEU A 56 64.944 -10.592 5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 56 66.937 -11.703 7.894 1.00 0.00 H new ATOM 0 HB3 LEU A 56 66.939 -12.185 6.209 1.00 0.00 H new ATOM 0 HG LEU A 56 67.226 -9.317 7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.571 -9.568 6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.211 -10.760 7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.230 -11.260 5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.789 -8.800 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.469 -10.493 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.142 -9.460 4.993 1.00 0.00 H new ATOM 898 N SER A 57 64.163 -12.872 8.111 1.00 0.00 N ATOM 899 CA SER A 57 63.460 -14.134 8.321 1.00 0.00 C ATOM 900 C SER A 57 61.997 -14.018 7.900 1.00 0.00 C ATOM 901 O SER A 57 61.453 -14.920 7.262 1.00 0.00 O ATOM 902 CB SER A 57 63.536 -14.531 9.795 1.00 0.00 C ATOM 903 OG SER A 57 64.030 -13.435 10.551 1.00 0.00 O ATOM 0 H SER A 57 64.425 -12.384 8.967 1.00 0.00 H new ATOM 0 HA SER A 57 63.939 -14.898 7.709 1.00 0.00 H new ATOM 0 HB2 SER A 57 62.550 -14.822 10.157 1.00 0.00 H new ATOM 0 HB3 SER A 57 64.188 -15.396 9.918 1.00 0.00 H new ATOM 0 HG SER A 57 64.079 -13.686 11.497 1.00 0.00 H new ATOM 909 N ASP A 58 61.364 -12.908 8.265 1.00 0.00 N ATOM 910 CA ASP A 58 59.962 -12.690 7.925 1.00 0.00 C ATOM 911 C ASP A 58 59.760 -12.692 6.414 1.00 0.00 C ATOM 912 O ASP A 58 58.730 -13.155 5.918 1.00 0.00 O ATOM 913 CB ASP A 58 59.488 -11.359 8.504 1.00 0.00 C ATOM 914 CG ASP A 58 59.644 -11.371 10.021 1.00 0.00 C ATOM 915 OD1 ASP A 58 60.331 -12.251 10.515 1.00 0.00 O ATOM 916 OD2 ASP A 58 59.072 -10.508 10.666 1.00 0.00 O ATOM 0 H ASP A 58 61.796 -12.150 8.793 1.00 0.00 H new ATOM 0 HA ASP A 58 59.377 -13.504 8.353 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.066 -10.540 8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.445 -11.187 8.238 1.00 0.00 H new ATOM 921 N TYR A 59 60.743 -12.176 5.685 1.00 0.00 N ATOM 922 CA TYR A 59 60.650 -12.130 4.230 1.00 0.00 C ATOM 923 C TYR A 59 61.156 -13.436 3.630 1.00 0.00 C ATOM 924 O TYR A 59 61.146 -13.620 2.414 1.00 0.00 O ATOM 925 CB TYR A 59 61.474 -10.961 3.687 1.00 0.00 C ATOM 926 CG TYR A 59 60.568 -9.777 3.430 1.00 0.00 C ATOM 927 CD1 TYR A 59 59.565 -9.864 2.456 1.00 0.00 C ATOM 928 CD2 TYR A 59 60.732 -8.595 4.161 1.00 0.00 C ATOM 929 CE1 TYR A 59 58.728 -8.768 2.214 1.00 0.00 C ATOM 930 CE2 TYR A 59 59.896 -7.500 3.920 1.00 0.00 C ATOM 931 CZ TYR A 59 58.893 -7.586 2.946 1.00 0.00 C ATOM 932 OH TYR A 59 58.067 -6.507 2.708 1.00 0.00 O ATOM 0 H TYR A 59 61.604 -11.788 6.071 1.00 0.00 H new ATOM 0 HA TYR A 59 59.605 -11.991 3.952 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.251 -10.689 4.401 1.00 0.00 H new ATOM 0 HB3 TYR A 59 61.976 -11.254 2.765 1.00 0.00 H new ATOM 0 HD1 TYR A 59 59.437 -10.776 1.892 1.00 0.00 H new ATOM 0 HD2 TYR A 59 61.505 -8.528 4.912 1.00 0.00 H new ATOM 0 HE1 TYR A 59 57.955 -8.834 1.463 1.00 0.00 H new ATOM 0 HE2 TYR A 59 60.024 -6.588 4.485 1.00 0.00 H new ATOM 0 HH TYR A 59 58.147 -5.865 3.444 1.00 0.00 H new ATOM 942 N ASN A 60 61.588 -14.344 4.497 1.00 0.00 N ATOM 943 CA ASN A 60 62.091 -15.636 4.054 1.00 0.00 C ATOM 944 C ASN A 60 63.354 -15.471 3.215 1.00 0.00 C ATOM 945 O ASN A 60 63.643 -16.294 2.347 1.00 0.00 O ATOM 946 CB ASN A 60 61.019 -16.356 3.233 1.00 0.00 C ATOM 947 CG ASN A 60 59.635 -16.008 3.772 1.00 0.00 C ATOM 948 OD1 ASN A 60 58.715 -15.744 2.999 1.00 0.00 O ATOM 949 ND2 ASN A 60 59.435 -15.986 5.061 1.00 0.00 N ATOM 0 H ASN A 60 61.600 -14.209 5.508 1.00 0.00 H new ATOM 0 HA ASN A 60 62.337 -16.228 4.936 1.00 0.00 H new ATOM 0 HB2 ASN A 60 61.095 -16.066 2.185 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.176 -17.434 3.278 1.00 0.00 H new ATOM 0 HD21 ASN A 60 58.514 -15.750 5.430 1.00 0.00 H new ATOM 0 HD22 ASN A 60 60.200 -16.205 5.700 1.00 0.00 H new ATOM 956 N ILE A 61 64.109 -14.409 3.481 1.00 0.00 N ATOM 957 CA ILE A 61 65.341 -14.164 2.742 1.00 0.00 C ATOM 958 C ILE A 61 66.415 -15.158 3.168 1.00 0.00 C ATOM 959 O ILE A 61 66.454 -15.587 4.320 1.00 0.00 O ATOM 960 CB ILE A 61 65.816 -12.725 2.973 1.00 0.00 C ATOM 961 CG1 ILE A 61 65.042 -11.802 2.025 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.316 -12.624 2.675 1.00 0.00 C ATOM 963 CD1 ILE A 61 65.146 -10.351 2.494 1.00 0.00 C ATOM 0 H ILE A 61 63.892 -13.713 4.194 1.00 0.00 H new ATOM 0 HA ILE A 61 65.149 -14.299 1.678 1.00 0.00 H new ATOM 0 HB ILE A 61 65.640 -12.434 4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.438 -11.894 1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 61 63.996 -12.105 1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 61 67.652 -11.600 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.864 -13.296 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.501 -12.904 1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.592 -9.707 1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.728 -10.262 3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 61 66.193 -10.048 2.509 1.00 0.00 H new ATOM 975 N GLN A 62 67.275 -15.535 2.227 1.00 0.00 N ATOM 976 CA GLN A 62 68.332 -16.496 2.517 1.00 0.00 C ATOM 977 C GLN A 62 69.601 -15.789 2.975 1.00 0.00 C ATOM 978 O GLN A 62 69.694 -14.562 2.932 1.00 0.00 O ATOM 979 CB GLN A 62 68.631 -17.332 1.272 1.00 0.00 C ATOM 980 CG GLN A 62 67.342 -17.986 0.775 1.00 0.00 C ATOM 981 CD GLN A 62 67.672 -19.123 -0.187 1.00 0.00 C ATOM 982 OE1 GLN A 62 68.698 -19.085 -0.866 1.00 0.00 O ATOM 983 NE2 GLN A 62 66.857 -20.138 -0.288 1.00 0.00 N ATOM 0 H GLN A 62 67.261 -15.193 1.266 1.00 0.00 H new ATOM 0 HA GLN A 62 67.989 -17.147 3.321 1.00 0.00 H new ATOM 0 HB2 GLN A 62 69.056 -16.701 0.491 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.373 -18.096 1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 62 66.769 -18.368 1.620 1.00 0.00 H new ATOM 0 HG3 GLN A 62 66.718 -17.245 0.275 1.00 0.00 H new ATOM 0 HE21 GLN A 62 66.007 -20.168 0.275 1.00 0.00 H new ATOM 0 HE22 GLN A 62 67.070 -20.901 -0.930 1.00 0.00 H new ATOM 992 N LYS A 63 70.573 -16.575 3.423 1.00 0.00 N ATOM 993 CA LYS A 63 71.836 -16.025 3.901 1.00 0.00 C ATOM 994 C LYS A 63 72.818 -15.848 2.758 1.00 0.00 C ATOM 995 O LYS A 63 73.901 -15.313 2.951 1.00 0.00 O ATOM 996 CB LYS A 63 72.444 -16.957 4.947 1.00 0.00 C ATOM 997 CG LYS A 63 72.544 -18.371 4.372 1.00 0.00 C ATOM 998 CD LYS A 63 71.585 -19.297 5.125 1.00 0.00 C ATOM 999 CE LYS A 63 71.552 -20.665 4.441 1.00 0.00 C ATOM 1000 NZ LYS A 63 70.905 -20.536 3.106 1.00 0.00 N ATOM 0 H LYS A 63 70.511 -17.592 3.465 1.00 0.00 H new ATOM 0 HA LYS A 63 71.635 -15.050 4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 63 73.432 -16.600 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 63 71.829 -16.961 5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 63 72.299 -18.361 3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 63 73.566 -18.739 4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 63 71.905 -19.405 6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 63 70.585 -18.864 5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 63 72.565 -21.053 4.330 1.00 0.00 H new ATOM 0 HE3 LYS A 63 71.003 -21.378 5.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 70.545 -21.464 2.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 70.116 -19.862 3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 71.602 -20.192 2.414 1.00 0.00 H new ATOM 1014 N GLU A 64 72.426 -16.297 1.575 1.00 0.00 N ATOM 1015 CA GLU A 64 73.260 -16.184 0.395 1.00 0.00 C ATOM 1016 C GLU A 64 72.490 -15.502 -0.733 1.00 0.00 C ATOM 1017 O GLU A 64 73.045 -15.201 -1.788 1.00 0.00 O ATOM 1018 CB GLU A 64 73.727 -17.569 -0.050 1.00 0.00 C ATOM 1019 CG GLU A 64 75.148 -17.810 0.460 1.00 0.00 C ATOM 1020 CD GLU A 64 75.590 -19.234 0.138 1.00 0.00 C ATOM 1021 OE1 GLU A 64 74.795 -20.138 0.328 1.00 0.00 O ATOM 1022 OE2 GLU A 64 76.724 -19.398 -0.282 1.00 0.00 O ATOM 0 H GLU A 64 71.526 -16.747 1.410 1.00 0.00 H new ATOM 0 HA GLU A 64 74.133 -15.578 0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.054 -18.334 0.337 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.701 -17.642 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.833 -17.097 0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 64 75.189 -17.644 1.536 1.00 0.00 H new ATOM 1029 N SER A 65 71.197 -15.284 -0.505 1.00 0.00 N ATOM 1030 CA SER A 65 70.333 -14.660 -1.506 1.00 0.00 C ATOM 1031 C SER A 65 70.912 -13.342 -2.009 1.00 0.00 C ATOM 1032 O SER A 65 71.799 -12.758 -1.386 1.00 0.00 O ATOM 1033 CB SER A 65 68.949 -14.409 -0.908 1.00 0.00 C ATOM 1034 OG SER A 65 68.077 -15.470 -1.277 1.00 0.00 O ATOM 0 H SER A 65 70.724 -15.530 0.364 1.00 0.00 H new ATOM 0 HA SER A 65 70.259 -15.343 -2.352 1.00 0.00 H new ATOM 0 HB2 SER A 65 69.017 -14.340 0.178 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.554 -13.458 -1.264 1.00 0.00 H new ATOM 0 HG SER A 65 67.189 -15.312 -0.893 1.00 0.00 H new ATOM 1040 N THR A 66 70.389 -12.879 -3.142 1.00 0.00 N ATOM 1041 CA THR A 66 70.836 -11.624 -3.738 1.00 0.00 C ATOM 1042 C THR A 66 69.825 -10.518 -3.444 1.00 0.00 C ATOM 1043 O THR A 66 68.618 -10.730 -3.546 1.00 0.00 O ATOM 1044 CB THR A 66 70.990 -11.790 -5.251 1.00 0.00 C ATOM 1045 OG1 THR A 66 71.667 -13.009 -5.525 1.00 0.00 O ATOM 1046 CG2 THR A 66 71.794 -10.619 -5.817 1.00 0.00 C ATOM 0 H THR A 66 69.655 -13.355 -3.666 1.00 0.00 H new ATOM 0 HA THR A 66 71.800 -11.353 -3.307 1.00 0.00 H new ATOM 0 HB THR A 66 70.005 -11.808 -5.717 1.00 0.00 H new ATOM 0 HG1 THR A 66 71.765 -13.118 -6.494 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.902 -10.739 -6.895 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.273 -9.685 -5.607 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.780 -10.597 -5.353 1.00 0.00 H new ATOM 1054 N LEU A 67 70.331 -9.347 -3.073 1.00 0.00 N ATOM 1055 CA LEU A 67 69.473 -8.213 -2.753 1.00 0.00 C ATOM 1056 C LEU A 67 69.678 -7.080 -3.754 1.00 0.00 C ATOM 1057 O LEU A 67 70.803 -6.792 -4.159 1.00 0.00 O ATOM 1058 CB LEU A 67 69.799 -7.712 -1.347 1.00 0.00 C ATOM 1059 CG LEU A 67 68.818 -8.324 -0.350 1.00 0.00 C ATOM 1060 CD1 LEU A 67 68.842 -9.849 -0.473 1.00 0.00 C ATOM 1061 CD2 LEU A 67 69.215 -7.920 1.071 1.00 0.00 C ATOM 0 H LEU A 67 71.330 -9.159 -2.987 1.00 0.00 H new ATOM 0 HA LEU A 67 68.434 -8.538 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.821 -7.982 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 67 69.738 -6.624 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 67 67.813 -7.961 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 67 68.141 -10.283 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 67 68.556 -10.137 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 67 69.847 -10.215 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 67 68.514 -8.357 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 67 70.221 -8.281 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 67 69.193 -6.834 1.160 1.00 0.00 H new ATOM 1073 N HIS A 68 68.583 -6.436 -4.142 1.00 0.00 N ATOM 1074 CA HIS A 68 68.658 -5.329 -5.088 1.00 0.00 C ATOM 1075 C HIS A 68 68.676 -4.002 -4.338 1.00 0.00 C ATOM 1076 O HIS A 68 67.709 -3.645 -3.662 1.00 0.00 O ATOM 1077 CB HIS A 68 67.464 -5.370 -6.043 1.00 0.00 C ATOM 1078 CG HIS A 68 67.644 -6.506 -7.013 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.597 -7.833 -6.614 1.00 0.00 N ATOM 1080 CD2 HIS A 68 67.880 -6.530 -8.365 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.803 -8.592 -7.705 1.00 0.00 C ATOM 1082 NE2 HIS A 68 67.982 -7.848 -8.800 1.00 0.00 N ATOM 0 H HIS A 68 67.641 -6.658 -3.820 1.00 0.00 H new ATOM 0 HA HIS A 68 69.577 -5.424 -5.667 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.539 -5.499 -5.482 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.381 -4.426 -6.582 1.00 0.00 H new ATOM 0 HD2 HIS A 68 67.973 -5.658 -8.996 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.821 -9.672 -7.697 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.156 -8.175 -9.750 1.00 0.00 H new ATOM 1090 N LEU A 69 69.786 -3.281 -4.451 1.00 0.00 N ATOM 1091 CA LEU A 69 69.926 -2.001 -3.769 1.00 0.00 C ATOM 1092 C LEU A 69 69.613 -0.850 -4.721 1.00 0.00 C ATOM 1093 O LEU A 69 70.386 -0.556 -5.632 1.00 0.00 O ATOM 1094 CB LEU A 69 71.355 -1.864 -3.226 1.00 0.00 C ATOM 1095 CG LEU A 69 71.608 -0.434 -2.733 1.00 0.00 C ATOM 1096 CD1 LEU A 69 70.481 0.001 -1.795 1.00 0.00 C ATOM 1097 CD2 LEU A 69 72.939 -0.389 -1.979 1.00 0.00 C ATOM 0 H LEU A 69 70.596 -3.559 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 69 69.219 -1.962 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.509 -2.569 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 69 72.073 -2.118 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 69 71.643 0.241 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 69 70.668 1.018 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 69 69.531 -0.032 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.440 -0.672 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 69 73.123 0.626 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 69 72.897 -1.067 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 69 73.746 -0.693 -2.646 1.00 0.00 H new ATOM 1109 N VAL A 70 68.472 -0.201 -4.496 1.00 0.00 N ATOM 1110 CA VAL A 70 68.055 0.920 -5.331 1.00 0.00 C ATOM 1111 C VAL A 70 68.122 2.223 -4.541 1.00 0.00 C ATOM 1112 O VAL A 70 67.865 2.243 -3.336 1.00 0.00 O ATOM 1113 CB VAL A 70 66.627 0.698 -5.832 1.00 0.00 C ATOM 1114 CG1 VAL A 70 66.405 1.495 -7.117 1.00 0.00 C ATOM 1115 CG2 VAL A 70 66.414 -0.792 -6.113 1.00 0.00 C ATOM 0 H VAL A 70 67.823 -0.432 -3.744 1.00 0.00 H new ATOM 0 HA VAL A 70 68.730 0.986 -6.184 1.00 0.00 H new ATOM 0 HB VAL A 70 65.920 1.032 -5.073 1.00 0.00 H new ATOM 0 HG11 VAL A 70 65.387 1.336 -7.473 1.00 0.00 H new ATOM 0 HG12 VAL A 70 66.558 2.556 -6.918 1.00 0.00 H new ATOM 0 HG13 VAL A 70 67.111 1.163 -7.878 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.397 -0.953 -6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 70 67.122 -1.124 -6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.571 -1.361 -5.197 1.00 0.00 H new ATOM 1125 N LEU A 71 68.470 3.309 -5.222 1.00 0.00 N ATOM 1126 CA LEU A 71 68.569 4.609 -4.567 1.00 0.00 C ATOM 1127 C LEU A 71 67.313 5.436 -4.826 1.00 0.00 C ATOM 1128 O LEU A 71 66.756 5.410 -5.925 1.00 0.00 O ATOM 1129 CB LEU A 71 69.794 5.367 -5.091 1.00 0.00 C ATOM 1130 CG LEU A 71 71.071 4.801 -4.455 1.00 0.00 C ATOM 1131 CD1 LEU A 71 72.292 5.414 -5.141 1.00 0.00 C ATOM 1132 CD2 LEU A 71 71.115 5.131 -2.957 1.00 0.00 C ATOM 0 H LEU A 71 68.687 3.317 -6.219 1.00 0.00 H new ATOM 0 HA LEU A 71 68.672 4.447 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 71 69.849 5.281 -6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.702 6.428 -4.860 1.00 0.00 H new ATOM 0 HG LEU A 71 71.076 3.718 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 71 73.201 5.014 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 71 72.274 5.169 -6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 71 72.273 6.497 -5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 71 72.027 4.723 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 71 71.101 6.213 -2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 71 70.248 4.693 -2.462 1.00 0.00 H new ATOM 1144 N ARG A 72 66.874 6.167 -3.808 1.00 0.00 N ATOM 1145 CA ARG A 72 65.684 6.999 -3.932 1.00 0.00 C ATOM 1146 C ARG A 72 66.070 8.447 -4.213 1.00 0.00 C ATOM 1147 O ARG A 72 66.722 9.095 -3.394 1.00 0.00 O ATOM 1148 CB ARG A 72 64.863 6.928 -2.644 1.00 0.00 C ATOM 1149 CG ARG A 72 63.843 8.066 -2.623 1.00 0.00 C ATOM 1150 CD ARG A 72 62.688 7.698 -1.690 1.00 0.00 C ATOM 1151 NE ARG A 72 61.800 8.840 -1.507 1.00 0.00 N ATOM 1152 CZ ARG A 72 60.557 8.677 -1.065 1.00 0.00 C ATOM 1153 NH1 ARG A 72 59.781 9.715 -0.902 1.00 0.00 N ATOM 1154 NH2 ARG A 72 60.112 7.481 -0.793 1.00 0.00 N ATOM 0 H ARG A 72 67.322 6.200 -2.892 1.00 0.00 H new ATOM 0 HA ARG A 72 65.087 6.627 -4.765 1.00 0.00 H new ATOM 0 HB2 ARG A 72 64.352 5.967 -2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 72 65.520 6.999 -1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 72 64.317 8.988 -2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 72 63.467 8.250 -3.629 1.00 0.00 H new ATOM 0 HD2 ARG A 72 62.130 6.858 -2.105 1.00 0.00 H new ATOM 0 HD3 ARG A 72 63.080 7.375 -0.725 1.00 0.00 H new ATOM 0 HE ARG A 72 62.138 9.778 -1.721 1.00 0.00 H new ATOM 0 HH11 ARG A 72 60.129 10.650 -1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 72 58.827 9.590 -0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 72 60.718 6.670 -0.919 1.00 0.00 H new ATOM 0 HH22 ARG A 72 59.158 7.357 -0.454 1.00 0.00 H new ATOM 1168 N LEU A 73 65.663 8.949 -5.374 1.00 0.00 N ATOM 1169 CA LEU A 73 65.975 10.323 -5.751 1.00 0.00 C ATOM 1170 C LEU A 73 65.135 10.752 -6.951 1.00 0.00 C ATOM 1171 O LEU A 73 65.396 10.341 -8.082 1.00 0.00 O ATOM 1172 CB LEU A 73 67.460 10.447 -6.095 1.00 0.00 C ATOM 1173 CG LEU A 73 68.058 11.644 -5.352 1.00 0.00 C ATOM 1174 CD1 LEU A 73 69.536 11.787 -5.721 1.00 0.00 C ATOM 1175 CD2 LEU A 73 67.308 12.917 -5.751 1.00 0.00 C ATOM 0 H LEU A 73 65.121 8.430 -6.065 1.00 0.00 H new ATOM 0 HA LEU A 73 65.743 10.973 -4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 73 67.986 9.534 -5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.586 10.573 -7.170 1.00 0.00 H new ATOM 0 HG LEU A 73 67.965 11.488 -4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.962 12.639 -5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 73 70.071 10.880 -5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 73 69.629 11.943 -6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 73 67.733 13.770 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 73 67.401 13.073 -6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 73 66.255 12.816 -5.489 1.00 0.00 H new ATOM 1187 N ARG A 74 64.128 11.581 -6.697 1.00 0.00 N ATOM 1188 CA ARG A 74 63.258 12.059 -7.765 1.00 0.00 C ATOM 1189 C ARG A 74 62.872 13.515 -7.529 1.00 0.00 C ATOM 1190 O ARG A 74 62.610 13.923 -6.397 1.00 0.00 O ATOM 1191 CB ARG A 74 61.995 11.198 -7.835 1.00 0.00 C ATOM 1192 CG ARG A 74 62.228 10.026 -8.792 1.00 0.00 C ATOM 1193 CD ARG A 74 60.984 9.135 -8.819 1.00 0.00 C ATOM 1194 NE ARG A 74 61.319 7.819 -9.351 1.00 0.00 N ATOM 1195 CZ ARG A 74 60.558 6.761 -9.094 1.00 0.00 C ATOM 1196 NH1 ARG A 74 60.879 5.593 -9.580 1.00 0.00 N ATOM 1197 NH2 ARG A 74 59.491 6.888 -8.354 1.00 0.00 N ATOM 0 H ARG A 74 63.895 11.933 -5.769 1.00 0.00 H new ATOM 0 HA ARG A 74 63.798 11.987 -8.709 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.740 10.826 -6.843 1.00 0.00 H new ATOM 0 HB3 ARG A 74 61.152 11.798 -8.177 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.444 10.398 -9.794 1.00 0.00 H new ATOM 0 HG3 ARG A 74 63.095 9.448 -8.472 1.00 0.00 H new ATOM 0 HD2 ARG A 74 60.577 9.036 -7.813 1.00 0.00 H new ATOM 0 HD3 ARG A 74 60.210 9.597 -9.432 1.00 0.00 H new ATOM 0 HE ARG A 74 62.151 7.709 -9.930 1.00 0.00 H new ATOM 0 HH11 ARG A 74 61.714 5.493 -10.157 1.00 0.00 H new ATOM 0 HH12 ARG A 74 60.295 4.780 -9.383 1.00 0.00 H new ATOM 0 HH21 ARG A 74 59.241 7.800 -7.972 1.00 0.00 H new ATOM 0 HH22 ARG A 74 58.907 6.075 -8.157 1.00 0.00 H new ATOM 1211 N GLY A 75 62.835 14.295 -8.605 1.00 0.00 N ATOM 1212 CA GLY A 75 62.479 15.706 -8.502 1.00 0.00 C ATOM 1213 C GLY A 75 63.040 16.497 -9.679 1.00 0.00 C ATOM 1214 O GLY A 75 63.495 17.628 -9.518 1.00 0.00 O ATOM 0 H GLY A 75 63.045 13.977 -9.551 1.00 0.00 H new ATOM 0 HA2 GLY A 75 61.394 15.810 -8.473 1.00 0.00 H new ATOM 0 HA3 GLY A 75 62.864 16.115 -7.568 1.00 0.00 H new ATOM 1218 N GLY A 76 63.005 15.892 -10.862 1.00 0.00 N ATOM 1219 CA GLY A 76 63.514 16.551 -12.060 1.00 0.00 C ATOM 1220 C GLY A 76 62.389 17.251 -12.816 1.00 0.00 C ATOM 1221 O GLY A 76 62.377 18.470 -12.823 1.00 0.00 O ATOM 1222 OXT GLY A 76 61.557 16.557 -13.378 1.00 0.00 O ATOM 0 H GLY A 76 62.633 14.955 -11.017 1.00 0.00 H new ATOM 0 HA2 GLY A 76 64.278 17.277 -11.783 1.00 0.00 H new ATOM 0 HA3 GLY A 76 63.992 15.817 -12.709 1.00 0.00 H new TER 1226 GLY A 76