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 7 THR OG1 : rot -83:sc= 1.48 USER MOD Set 1.2: A 9 THR OG1 : rot -54:sc= 0.311 USER MOD Single : A 1 MET CE :methyl 168:sc= -0.0402 (180deg=-0.335) USER MOD Single : A 1 MET N :NH3+ -149:sc= 0.3 (180deg=0.121) USER MOD Single : A 2 GLN : amide:sc= -0.703 K(o=-0.7,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 178:sc= -2.47 (180deg=-2.53) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.261) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -73:sc= 0.366 USER MOD Single : A 20 SER OG : rot 180:sc= 0.135 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0168 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.8!) USER MOD Single : A 33 LYS NZ :NH3+ -114:sc= -0.174 (180deg=-1.13) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 41 GLN : amide:sc= -1.62 K(o=-1.6,f=-0.14) USER MOD Single : A 48 LYS NZ :NH3+ 165:sc=-0.00732 (180deg=-0.376) USER MOD Single : A 49 GLN : amide:sc= -0.1 X(o=-0.1,f=0) 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= -1.06! C(o=-1.1!,f=-5.8!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -109:sc= 0.0735 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 53.762 -12.527 -1.603 1.00 0.00 N ATOM 2 CA MET A 1 53.062 -12.108 -0.357 1.00 0.00 C ATOM 3 C MET A 1 53.675 -10.810 0.155 1.00 0.00 C ATOM 4 O MET A 1 54.653 -10.310 -0.402 1.00 0.00 O ATOM 5 CB MET A 1 53.204 -13.206 0.699 1.00 0.00 C ATOM 6 CG MET A 1 51.947 -14.077 0.704 1.00 0.00 C ATOM 7 SD MET A 1 50.581 -13.158 1.457 1.00 0.00 S ATOM 8 CE MET A 1 50.789 -13.784 3.143 1.00 0.00 C ATOM 0 H1 MET A 1 53.097 -13.035 -2.220 1.00 0.00 H new ATOM 0 H2 MET A 1 54.121 -11.686 -2.099 1.00 0.00 H new ATOM 0 H3 MET A 1 54.557 -13.152 -1.361 1.00 0.00 H new ATOM 0 HA MET A 1 52.004 -11.947 -0.565 1.00 0.00 H new ATOM 0 HB2 MET A 1 54.081 -13.817 0.487 1.00 0.00 H new ATOM 0 HB3 MET A 1 53.355 -12.761 1.683 1.00 0.00 H new ATOM 0 HG2 MET A 1 51.688 -14.366 -0.314 1.00 0.00 H new ATOM 0 HG3 MET A 1 52.131 -14.997 1.259 1.00 0.00 H new ATOM 0 HE1 MET A 1 50.185 -13.190 3.829 1.00 0.00 H new ATOM 0 HE2 MET A 1 50.470 -14.825 3.186 1.00 0.00 H new ATOM 0 HE3 MET A 1 51.838 -13.714 3.430 1.00 0.00 H new ATOM 20 N GLN A 2 53.095 -10.265 1.220 1.00 0.00 N ATOM 21 CA GLN A 2 53.593 -9.024 1.799 1.00 0.00 C ATOM 22 C GLN A 2 54.940 -9.253 2.478 1.00 0.00 C ATOM 23 O GLN A 2 55.239 -10.358 2.928 1.00 0.00 O ATOM 24 CB GLN A 2 52.589 -8.483 2.819 1.00 0.00 C ATOM 25 CG GLN A 2 51.489 -7.709 2.092 1.00 0.00 C ATOM 26 CD GLN A 2 50.228 -7.665 2.947 1.00 0.00 C ATOM 27 OE1 GLN A 2 49.129 -7.479 2.426 1.00 0.00 O ATOM 28 NE2 GLN A 2 50.321 -7.826 4.238 1.00 0.00 N ATOM 0 H GLN A 2 52.285 -10.661 1.696 1.00 0.00 H new ATOM 0 HA GLN A 2 53.722 -8.297 0.997 1.00 0.00 H new ATOM 0 HB2 GLN A 2 52.155 -9.305 3.388 1.00 0.00 H new ATOM 0 HB3 GLN A 2 53.095 -7.833 3.533 1.00 0.00 H new ATOM 0 HG2 GLN A 2 51.828 -6.696 1.877 1.00 0.00 H new ATOM 0 HG3 GLN A 2 51.272 -8.182 1.134 1.00 0.00 H new ATOM 0 HE21 GLN A 2 51.233 -7.980 4.668 1.00 0.00 H new ATOM 0 HE22 GLN A 2 49.482 -7.798 4.817 1.00 0.00 H new ATOM 37 N ILE A 3 55.747 -8.198 2.552 1.00 0.00 N ATOM 38 CA ILE A 3 57.059 -8.296 3.179 1.00 0.00 C ATOM 39 C ILE A 3 57.334 -7.071 4.045 1.00 0.00 C ATOM 40 O ILE A 3 56.555 -6.118 4.053 1.00 0.00 O ATOM 41 CB ILE A 3 58.143 -8.424 2.109 1.00 0.00 C ATOM 42 CG1 ILE A 3 57.952 -7.330 1.056 1.00 0.00 C ATOM 43 CG2 ILE A 3 58.040 -9.796 1.440 1.00 0.00 C ATOM 44 CD1 ILE A 3 59.296 -7.027 0.394 1.00 0.00 C ATOM 0 H ILE A 3 55.517 -7.273 2.188 1.00 0.00 H new ATOM 0 HA ILE A 3 57.071 -9.183 3.813 1.00 0.00 H new ATOM 0 HB ILE A 3 59.124 -8.317 2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 3 57.229 -7.652 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 3 57.550 -6.429 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 3 58.813 -9.888 0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 3 58.175 -10.577 2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 3 57.059 -9.902 0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 3 59.164 -6.248 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 3 60.005 -6.687 1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 3 59.678 -7.930 -0.083 1.00 0.00 H new ATOM 56 N PHE A 4 58.449 -7.106 4.772 1.00 0.00 N ATOM 57 CA PHE A 4 58.824 -5.995 5.641 1.00 0.00 C ATOM 58 C PHE A 4 60.271 -5.581 5.386 1.00 0.00 C ATOM 59 O PHE A 4 61.146 -6.430 5.216 1.00 0.00 O ATOM 60 CB PHE A 4 58.667 -6.401 7.107 1.00 0.00 C ATOM 61 CG PHE A 4 57.201 -6.448 7.467 1.00 0.00 C ATOM 62 CD1 PHE A 4 56.488 -5.258 7.662 1.00 0.00 C ATOM 63 CD2 PHE A 4 56.555 -7.681 7.606 1.00 0.00 C ATOM 64 CE1 PHE A 4 55.130 -5.303 7.996 1.00 0.00 C ATOM 65 CE2 PHE A 4 55.196 -7.726 7.940 1.00 0.00 C ATOM 66 CZ PHE A 4 54.483 -6.537 8.135 1.00 0.00 C ATOM 0 H PHE A 4 59.105 -7.887 4.776 1.00 0.00 H new ATOM 0 HA PHE A 4 58.168 -5.152 5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 4 59.124 -7.376 7.276 1.00 0.00 H new ATOM 0 HB3 PHE A 4 59.187 -5.690 7.749 1.00 0.00 H new ATOM 0 HD1 PHE A 4 56.986 -4.306 7.555 1.00 0.00 H new ATOM 0 HD2 PHE A 4 57.105 -8.598 7.456 1.00 0.00 H new ATOM 0 HE1 PHE A 4 54.581 -4.386 8.147 1.00 0.00 H new ATOM 0 HE2 PHE A 4 54.698 -8.678 8.047 1.00 0.00 H new ATOM 0 HZ PHE A 4 53.435 -6.572 8.392 1.00 0.00 H new ATOM 76 N VAL A 5 60.508 -4.273 5.367 1.00 0.00 N ATOM 77 CA VAL A 5 61.850 -3.745 5.137 1.00 0.00 C ATOM 78 C VAL A 5 62.297 -2.905 6.329 1.00 0.00 C ATOM 79 O VAL A 5 61.555 -2.052 6.811 1.00 0.00 O ATOM 80 CB VAL A 5 61.866 -2.889 3.871 1.00 0.00 C ATOM 81 CG1 VAL A 5 63.302 -2.473 3.549 1.00 0.00 C ATOM 82 CG2 VAL A 5 61.295 -3.699 2.705 1.00 0.00 C ATOM 0 H VAL A 5 59.792 -3.561 5.507 1.00 0.00 H new ATOM 0 HA VAL A 5 62.537 -4.582 5.013 1.00 0.00 H new ATOM 0 HB VAL A 5 61.260 -1.997 4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 5 63.310 -1.863 2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.709 -1.897 4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.912 -3.363 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 5 61.305 -3.091 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 5 61.902 -4.591 2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 5 60.270 -3.993 2.933 1.00 0.00 H new ATOM 92 N LYS A 6 63.512 -3.159 6.803 1.00 0.00 N ATOM 93 CA LYS A 6 64.043 -2.422 7.946 1.00 0.00 C ATOM 94 C LYS A 6 64.945 -1.285 7.479 1.00 0.00 C ATOM 95 O LYS A 6 65.863 -1.491 6.686 1.00 0.00 O ATOM 96 CB LYS A 6 64.834 -3.369 8.851 1.00 0.00 C ATOM 97 CG LYS A 6 65.463 -2.576 9.999 1.00 0.00 C ATOM 98 CD LYS A 6 66.961 -2.407 9.743 1.00 0.00 C ATOM 99 CE LYS A 6 67.580 -1.566 10.860 1.00 0.00 C ATOM 100 NZ LYS A 6 66.543 -1.256 11.882 1.00 0.00 N ATOM 0 H LYS A 6 64.143 -3.862 6.419 1.00 0.00 H new ATOM 0 HA LYS A 6 63.208 -1.998 8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 6 64.177 -4.143 9.247 1.00 0.00 H new ATOM 0 HB3 LYS A 6 65.610 -3.874 8.276 1.00 0.00 H new ATOM 0 HG2 LYS A 6 64.986 -1.600 10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 6 65.301 -3.094 10.944 1.00 0.00 H new ATOM 0 HD2 LYS A 6 67.445 -3.383 9.698 1.00 0.00 H new ATOM 0 HD3 LYS A 6 67.123 -1.926 8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 6 68.408 -2.105 11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 6 67.989 -0.643 10.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 66.972 -0.713 12.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 65.783 -0.696 11.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 66.149 -2.143 12.256 1.00 0.00 H new ATOM 114 N THR A 7 64.679 -0.085 7.984 1.00 0.00 N ATOM 115 CA THR A 7 65.474 1.082 7.619 1.00 0.00 C ATOM 116 C THR A 7 66.450 1.430 8.740 1.00 0.00 C ATOM 117 O THR A 7 66.318 0.941 9.862 1.00 0.00 O ATOM 118 CB THR A 7 64.559 2.278 7.347 1.00 0.00 C ATOM 119 OG1 THR A 7 63.844 2.603 8.532 1.00 0.00 O ATOM 120 CG2 THR A 7 63.571 1.928 6.233 1.00 0.00 C ATOM 0 H THR A 7 63.924 0.105 8.643 1.00 0.00 H new ATOM 0 HA THR A 7 66.038 0.848 6.716 1.00 0.00 H new ATOM 0 HB THR A 7 65.161 3.132 7.038 1.00 0.00 H new ATOM 0 HG1 THR A 7 63.061 2.019 8.613 1.00 0.00 H new ATOM 0 HG21 THR A 7 62.921 2.782 6.042 1.00 0.00 H new ATOM 0 HG22 THR A 7 64.120 1.679 5.325 1.00 0.00 H new ATOM 0 HG23 THR A 7 62.967 1.073 6.538 1.00 0.00 H new ATOM 128 N LEU A 8 67.425 2.276 8.429 1.00 0.00 N ATOM 129 CA LEU A 8 68.415 2.683 9.419 1.00 0.00 C ATOM 130 C LEU A 8 67.745 3.410 10.580 1.00 0.00 C ATOM 131 O LEU A 8 68.378 3.687 11.599 1.00 0.00 O ATOM 132 CB LEU A 8 69.445 3.607 8.766 1.00 0.00 C ATOM 133 CG LEU A 8 70.464 2.778 7.973 1.00 0.00 C ATOM 134 CD1 LEU A 8 71.367 1.983 8.924 1.00 0.00 C ATOM 135 CD2 LEU A 8 69.730 1.807 7.046 1.00 0.00 C ATOM 0 H LEU A 8 67.551 2.691 7.506 1.00 0.00 H new ATOM 0 HA LEU A 8 68.910 1.791 9.802 1.00 0.00 H new ATOM 0 HB2 LEU A 8 68.944 4.313 8.104 1.00 0.00 H new ATOM 0 HB3 LEU A 8 69.956 4.193 9.530 1.00 0.00 H new ATOM 0 HG LEU A 8 71.080 3.458 7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 8 72.083 1.401 8.344 1.00 0.00 H new ATOM 0 HD12 LEU A 8 71.903 2.671 9.577 1.00 0.00 H new ATOM 0 HD13 LEU A 8 70.757 1.311 9.528 1.00 0.00 H new ATOM 0 HD21 LEU A 8 70.457 1.220 6.485 1.00 0.00 H new ATOM 0 HD22 LEU A 8 69.105 1.139 7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 8 69.104 2.369 6.353 1.00 0.00 H new ATOM 147 N THR A 9 66.461 3.719 10.416 1.00 0.00 N ATOM 148 CA THR A 9 65.714 4.418 11.455 1.00 0.00 C ATOM 149 C THR A 9 64.780 3.458 12.186 1.00 0.00 C ATOM 150 O THR A 9 63.895 3.883 12.928 1.00 0.00 O ATOM 151 CB THR A 9 64.899 5.552 10.832 1.00 0.00 C ATOM 152 OG1 THR A 9 63.650 5.045 10.381 1.00 0.00 O ATOM 153 CG2 THR A 9 65.670 6.144 9.649 1.00 0.00 C ATOM 0 H THR A 9 65.921 3.498 9.580 1.00 0.00 H new ATOM 0 HA THR A 9 66.423 4.829 12.173 1.00 0.00 H new ATOM 0 HB THR A 9 64.727 6.329 11.577 1.00 0.00 H new ATOM 0 HG1 THR A 9 63.803 4.282 9.786 1.00 0.00 H new ATOM 0 HG21 THR A 9 65.090 6.952 9.204 1.00 0.00 H new ATOM 0 HG22 THR A 9 66.627 6.533 9.997 1.00 0.00 H new ATOM 0 HG23 THR A 9 65.843 5.369 8.903 1.00 0.00 H new ATOM 161 N GLY A 10 64.984 2.163 11.973 1.00 0.00 N ATOM 162 CA GLY A 10 64.155 1.152 12.619 1.00 0.00 C ATOM 163 C GLY A 10 62.772 1.086 11.977 1.00 0.00 C ATOM 164 O GLY A 10 62.130 0.037 11.973 1.00 0.00 O ATOM 0 H GLY A 10 65.711 1.790 11.362 1.00 0.00 H new ATOM 0 HA2 GLY A 10 64.640 0.179 12.547 1.00 0.00 H new ATOM 0 HA3 GLY A 10 64.057 1.381 13.680 1.00 0.00 H new ATOM 168 N LYS A 11 62.321 2.213 11.436 1.00 0.00 N ATOM 169 CA LYS A 11 61.013 2.268 10.794 1.00 0.00 C ATOM 170 C LYS A 11 60.849 1.112 9.814 1.00 0.00 C ATOM 171 O LYS A 11 61.604 0.991 8.849 1.00 0.00 O ATOM 172 CB LYS A 11 60.850 3.597 10.053 1.00 0.00 C ATOM 173 CG LYS A 11 59.404 3.738 9.570 1.00 0.00 C ATOM 174 CD LYS A 11 59.232 5.078 8.852 1.00 0.00 C ATOM 175 CE LYS A 11 58.293 4.900 7.658 1.00 0.00 C ATOM 176 NZ LYS A 11 56.996 4.335 8.126 1.00 0.00 N ATOM 0 H LYS A 11 62.837 3.093 11.429 1.00 0.00 H new ATOM 0 HA LYS A 11 60.247 2.187 11.565 1.00 0.00 H new ATOM 0 HB2 LYS A 11 61.107 4.427 10.711 1.00 0.00 H new ATOM 0 HB3 LYS A 11 61.534 3.639 9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 11 59.153 2.918 8.897 1.00 0.00 H new ATOM 0 HG3 LYS A 11 58.720 3.677 10.416 1.00 0.00 H new ATOM 0 HD2 LYS A 11 58.827 5.821 9.539 1.00 0.00 H new ATOM 0 HD3 LYS A 11 60.200 5.449 8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 11 58.128 5.858 7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 11 58.746 4.237 6.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 56.263 4.509 7.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 57.098 3.311 8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 56.721 4.791 9.020 1.00 0.00 H new ATOM 190 N THR A 12 59.858 0.264 10.066 1.00 0.00 N ATOM 191 CA THR A 12 59.607 -0.879 9.195 1.00 0.00 C ATOM 192 C THR A 12 58.621 -0.505 8.092 1.00 0.00 C ATOM 193 O THR A 12 57.545 0.026 8.364 1.00 0.00 O ATOM 194 CB THR A 12 59.043 -2.046 10.010 1.00 0.00 C ATOM 195 OG1 THR A 12 59.733 -2.132 11.249 1.00 0.00 O ATOM 196 CG2 THR A 12 59.222 -3.350 9.231 1.00 0.00 C ATOM 0 H THR A 12 59.221 0.344 10.858 1.00 0.00 H new ATOM 0 HA THR A 12 60.551 -1.178 8.739 1.00 0.00 H new ATOM 0 HB THR A 12 57.982 -1.881 10.195 1.00 0.00 H new ATOM 0 HG1 THR A 12 59.372 -2.877 11.773 1.00 0.00 H new ATOM 0 HG21 THR A 12 58.820 -4.179 9.813 1.00 0.00 H new ATOM 0 HG22 THR A 12 58.692 -3.282 8.281 1.00 0.00 H new ATOM 0 HG23 THR A 12 60.282 -3.519 9.043 1.00 0.00 H new ATOM 204 N ILE A 13 59.000 -0.786 6.848 1.00 0.00 N ATOM 205 CA ILE A 13 58.141 -0.476 5.708 1.00 0.00 C ATOM 206 C ILE A 13 57.524 -1.749 5.142 1.00 0.00 C ATOM 207 O ILE A 13 58.184 -2.784 5.058 1.00 0.00 O ATOM 208 CB ILE A 13 58.951 0.224 4.615 1.00 0.00 C ATOM 209 CG1 ILE A 13 60.301 0.666 5.184 1.00 0.00 C ATOM 210 CG2 ILE A 13 58.182 1.448 4.112 1.00 0.00 C ATOM 211 CD1 ILE A 13 61.051 1.493 4.138 1.00 0.00 C ATOM 0 H ILE A 13 59.888 -1.224 6.604 1.00 0.00 H new ATOM 0 HA ILE A 13 57.344 0.184 6.050 1.00 0.00 H new ATOM 0 HB ILE A 13 59.115 -0.466 3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 13 60.151 1.255 6.089 1.00 0.00 H new ATOM 0 HG13 ILE A 13 60.892 -0.206 5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 13 58.760 1.946 3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 13 57.221 1.132 3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 13 58.016 2.139 4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 13 62.012 1.808 4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 13 61.214 0.889 3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 13 60.462 2.372 3.878 1.00 0.00 H new ATOM 223 N THR A 14 56.256 -1.661 4.753 1.00 0.00 N ATOM 224 CA THR A 14 55.558 -2.812 4.192 1.00 0.00 C ATOM 225 C THR A 14 55.406 -2.658 2.683 1.00 0.00 C ATOM 226 O THR A 14 54.792 -1.702 2.207 1.00 0.00 O ATOM 227 CB THR A 14 54.175 -2.949 4.834 1.00 0.00 C ATOM 228 OG1 THR A 14 54.264 -2.627 6.216 1.00 0.00 O ATOM 229 CG2 THR A 14 53.675 -4.384 4.675 1.00 0.00 C ATOM 0 H THR A 14 55.695 -0.812 4.815 1.00 0.00 H new ATOM 0 HA THR A 14 56.144 -3.707 4.400 1.00 0.00 H new ATOM 0 HB THR A 14 53.478 -2.269 4.344 1.00 0.00 H new ATOM 0 HG1 THR A 14 54.715 -3.355 6.693 1.00 0.00 H new ATOM 0 HG21 THR A 14 52.690 -4.479 5.133 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.608 -4.631 3.615 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.370 -5.068 5.163 1.00 0.00 H new ATOM 237 N LEU A 15 55.973 -3.604 1.941 1.00 0.00 N ATOM 238 CA LEU A 15 55.903 -3.574 0.484 1.00 0.00 C ATOM 239 C LEU A 15 55.275 -4.860 -0.042 1.00 0.00 C ATOM 240 O LEU A 15 55.513 -5.942 0.495 1.00 0.00 O ATOM 241 CB LEU A 15 57.308 -3.410 -0.101 1.00 0.00 C ATOM 242 CG LEU A 15 57.454 -2.015 -0.713 1.00 0.00 C ATOM 243 CD1 LEU A 15 57.184 -0.952 0.354 1.00 0.00 C ATOM 244 CD2 LEU A 15 58.876 -1.843 -1.250 1.00 0.00 C ATOM 0 H LEU A 15 56.485 -4.399 2.323 1.00 0.00 H new ATOM 0 HA LEU A 15 55.285 -2.729 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 15 58.056 -3.555 0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 15 57.487 -4.171 -0.860 1.00 0.00 H new ATOM 0 HG LEU A 15 56.737 -1.901 -1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 15 57.289 0.040 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 15 56.172 -1.073 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 15 57.899 -1.065 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 15 58.982 -0.850 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 15 59.590 -1.959 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 15 59.071 -2.597 -2.012 1.00 0.00 H new ATOM 256 N GLU A 16 54.470 -4.734 -1.092 1.00 0.00 N ATOM 257 CA GLU A 16 53.811 -5.894 -1.680 1.00 0.00 C ATOM 258 C GLU A 16 54.509 -6.318 -2.967 1.00 0.00 C ATOM 259 O GLU A 16 54.715 -5.505 -3.869 1.00 0.00 O ATOM 260 CB GLU A 16 52.347 -5.565 -1.977 1.00 0.00 C ATOM 261 CG GLU A 16 51.574 -6.859 -2.241 1.00 0.00 C ATOM 262 CD GLU A 16 50.342 -6.565 -3.088 1.00 0.00 C ATOM 263 OE1 GLU A 16 50.502 -5.985 -4.150 1.00 0.00 O ATOM 264 OE2 GLU A 16 49.255 -6.919 -2.661 1.00 0.00 O ATOM 0 H GLU A 16 54.259 -3.847 -1.550 1.00 0.00 H new ATOM 0 HA GLU A 16 53.864 -6.717 -0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.906 -5.031 -1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 16 52.280 -4.906 -2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 16 52.215 -7.577 -2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.276 -7.314 -1.296 1.00 0.00 H new ATOM 271 N VAL A 17 54.869 -7.594 -3.044 1.00 0.00 N ATOM 272 CA VAL A 17 55.545 -8.119 -4.226 1.00 0.00 C ATOM 273 C VAL A 17 55.168 -9.580 -4.450 1.00 0.00 C ATOM 274 O VAL A 17 54.675 -10.250 -3.543 1.00 0.00 O ATOM 275 CB VAL A 17 57.061 -8.001 -4.061 1.00 0.00 C ATOM 276 CG1 VAL A 17 57.437 -6.540 -3.806 1.00 0.00 C ATOM 277 CG2 VAL A 17 57.512 -8.856 -2.874 1.00 0.00 C ATOM 0 H VAL A 17 54.706 -8.281 -2.308 1.00 0.00 H new ATOM 0 HA VAL A 17 55.230 -7.535 -5.091 1.00 0.00 H new ATOM 0 HB VAL A 17 57.552 -8.349 -4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 17 58.518 -6.458 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 17 57.116 -5.929 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 17 56.946 -6.191 -2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 17 58.592 -8.773 -2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 17 57.019 -8.507 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 17 57.246 -9.898 -3.054 1.00 0.00 H new ATOM 287 N GLU A 18 55.405 -10.065 -5.664 1.00 0.00 N ATOM 288 CA GLU A 18 55.088 -11.450 -5.999 1.00 0.00 C ATOM 289 C GLU A 18 56.221 -12.066 -6.825 1.00 0.00 C ATOM 290 O GLU A 18 56.947 -11.348 -7.511 1.00 0.00 O ATOM 291 CB GLU A 18 53.783 -11.498 -6.798 1.00 0.00 C ATOM 292 CG GLU A 18 52.594 -11.557 -5.835 1.00 0.00 C ATOM 293 CD GLU A 18 52.266 -13.007 -5.499 1.00 0.00 C ATOM 294 OE1 GLU A 18 52.087 -13.296 -4.327 1.00 0.00 O ATOM 295 OE2 GLU A 18 52.193 -13.806 -6.418 1.00 0.00 O ATOM 0 H GLU A 18 55.812 -9.525 -6.428 1.00 0.00 H new ATOM 0 HA GLU A 18 54.972 -12.021 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 18 53.703 -10.619 -7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 18 53.777 -12.369 -7.453 1.00 0.00 H new ATOM 0 HG2 GLU A 18 52.827 -11.008 -4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 18 51.727 -11.074 -6.285 1.00 0.00 H new ATOM 302 N PRO A 19 56.388 -13.367 -6.775 1.00 0.00 N ATOM 303 CA PRO A 19 57.459 -14.061 -7.540 1.00 0.00 C ATOM 304 C PRO A 19 57.680 -13.440 -8.918 1.00 0.00 C ATOM 305 O PRO A 19 58.814 -13.313 -9.378 1.00 0.00 O ATOM 306 CB PRO A 19 56.931 -15.489 -7.660 1.00 0.00 C ATOM 307 CG PRO A 19 56.075 -15.701 -6.454 1.00 0.00 C ATOM 308 CD PRO A 19 55.584 -14.322 -5.992 1.00 0.00 C ATOM 0 HA PRO A 19 58.430 -13.996 -7.048 1.00 0.00 H new ATOM 0 HB2 PRO A 19 56.356 -15.619 -8.577 1.00 0.00 H new ATOM 0 HB3 PRO A 19 57.749 -16.209 -7.692 1.00 0.00 H new ATOM 0 HG2 PRO A 19 55.231 -16.349 -6.691 1.00 0.00 H new ATOM 0 HG3 PRO A 19 56.641 -16.192 -5.663 1.00 0.00 H new ATOM 0 HD2 PRO A 19 54.518 -14.195 -6.183 1.00 0.00 H new ATOM 0 HD3 PRO A 19 55.735 -14.184 -4.921 1.00 0.00 H new ATOM 316 N SER A 20 56.587 -13.053 -9.570 1.00 0.00 N ATOM 317 CA SER A 20 56.675 -12.447 -10.892 1.00 0.00 C ATOM 318 C SER A 20 57.346 -11.079 -10.813 1.00 0.00 C ATOM 319 O SER A 20 58.240 -10.770 -11.600 1.00 0.00 O ATOM 320 CB SER A 20 55.275 -12.296 -11.490 1.00 0.00 C ATOM 321 OG SER A 20 54.306 -12.419 -10.456 1.00 0.00 O ATOM 0 H SER A 20 55.638 -13.148 -9.207 1.00 0.00 H new ATOM 0 HA SER A 20 57.276 -13.096 -11.529 1.00 0.00 H new ATOM 0 HB2 SER A 20 55.179 -11.327 -11.980 1.00 0.00 H new ATOM 0 HB3 SER A 20 55.109 -13.057 -12.252 1.00 0.00 H new ATOM 0 HG SER A 20 53.408 -12.321 -10.836 1.00 0.00 H new ATOM 327 N ASP A 21 56.909 -10.267 -9.858 1.00 0.00 N ATOM 328 CA ASP A 21 57.473 -8.934 -9.682 1.00 0.00 C ATOM 329 C ASP A 21 58.973 -9.017 -9.412 1.00 0.00 C ATOM 330 O ASP A 21 59.450 -9.971 -8.799 1.00 0.00 O ATOM 331 CB ASP A 21 56.782 -8.224 -8.517 1.00 0.00 C ATOM 332 CG ASP A 21 57.420 -6.857 -8.286 1.00 0.00 C ATOM 333 OD1 ASP A 21 57.298 -6.350 -7.182 1.00 0.00 O ATOM 334 OD2 ASP A 21 58.018 -6.339 -9.213 1.00 0.00 O ATOM 0 H ASP A 21 56.170 -10.506 -9.197 1.00 0.00 H new ATOM 0 HA ASP A 21 57.311 -8.368 -10.600 1.00 0.00 H new ATOM 0 HB2 ASP A 21 55.720 -8.107 -8.730 1.00 0.00 H new ATOM 0 HB3 ASP A 21 56.861 -8.829 -7.614 1.00 0.00 H new ATOM 339 N THR A 22 59.708 -8.007 -9.872 1.00 0.00 N ATOM 340 CA THR A 22 61.153 -7.972 -9.674 1.00 0.00 C ATOM 341 C THR A 22 61.522 -6.933 -8.620 1.00 0.00 C ATOM 342 O THR A 22 60.689 -6.124 -8.214 1.00 0.00 O ATOM 343 CB THR A 22 61.852 -7.634 -10.993 1.00 0.00 C ATOM 344 OG1 THR A 22 61.600 -6.274 -11.324 1.00 0.00 O ATOM 345 CG2 THR A 22 61.315 -8.540 -12.104 1.00 0.00 C ATOM 0 H THR A 22 59.329 -7.208 -10.381 1.00 0.00 H new ATOM 0 HA THR A 22 61.479 -8.954 -9.331 1.00 0.00 H new ATOM 0 HB THR A 22 62.926 -7.791 -10.888 1.00 0.00 H new ATOM 0 HG1 THR A 22 62.048 -6.054 -12.167 1.00 0.00 H new ATOM 0 HG21 THR A 22 61.813 -8.299 -13.043 1.00 0.00 H new ATOM 0 HG22 THR A 22 61.507 -9.582 -11.849 1.00 0.00 H new ATOM 0 HG23 THR A 22 60.242 -8.385 -12.213 1.00 0.00 H new ATOM 353 N ILE A 23 62.777 -6.962 -8.182 1.00 0.00 N ATOM 354 CA ILE A 23 63.245 -6.018 -7.175 1.00 0.00 C ATOM 355 C ILE A 23 63.230 -4.596 -7.725 1.00 0.00 C ATOM 356 O ILE A 23 63.193 -3.627 -6.966 1.00 0.00 O ATOM 357 CB ILE A 23 64.662 -6.382 -6.732 1.00 0.00 C ATOM 358 CG1 ILE A 23 64.762 -7.897 -6.532 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.986 -5.672 -5.416 1.00 0.00 C ATOM 360 CD1 ILE A 23 63.599 -8.384 -5.664 1.00 0.00 C ATOM 0 H ILE A 23 63.483 -7.624 -8.506 1.00 0.00 H new ATOM 0 HA ILE A 23 62.574 -6.071 -6.318 1.00 0.00 H new ATOM 0 HB ILE A 23 65.372 -6.068 -7.497 1.00 0.00 H new ATOM 0 HG12 ILE A 23 64.743 -8.402 -7.498 1.00 0.00 H new ATOM 0 HG13 ILE A 23 65.711 -8.149 -6.059 1.00 0.00 H new ATOM 0 HG21 ILE A 23 65.997 -5.932 -5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 23 64.917 -4.593 -5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 23 64.276 -5.984 -4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 23 63.675 -9.462 -5.525 1.00 0.00 H new ATOM 0 HD12 ILE A 23 63.637 -7.890 -4.693 1.00 0.00 H new ATOM 0 HD13 ILE A 23 62.655 -8.147 -6.155 1.00 0.00 H new ATOM 372 N GLU A 24 63.256 -4.478 -9.048 1.00 0.00 N ATOM 373 CA GLU A 24 63.241 -3.166 -9.686 1.00 0.00 C ATOM 374 C GLU A 24 62.005 -2.384 -9.257 1.00 0.00 C ATOM 375 O GLU A 24 62.083 -1.193 -8.957 1.00 0.00 O ATOM 376 CB GLU A 24 63.247 -3.326 -11.208 1.00 0.00 C ATOM 377 CG GLU A 24 63.273 -1.945 -11.867 1.00 0.00 C ATOM 378 CD GLU A 24 61.958 -1.689 -12.595 1.00 0.00 C ATOM 379 OE1 GLU A 24 61.991 -1.565 -13.809 1.00 0.00 O ATOM 380 OE2 GLU A 24 60.939 -1.624 -11.930 1.00 0.00 O ATOM 0 H GLU A 24 63.287 -5.266 -9.695 1.00 0.00 H new ATOM 0 HA GLU A 24 64.131 -2.618 -9.378 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.116 -3.906 -11.520 1.00 0.00 H new ATOM 0 HB3 GLU A 24 62.364 -3.878 -11.530 1.00 0.00 H new ATOM 0 HG2 GLU A 24 63.436 -1.176 -11.112 1.00 0.00 H new ATOM 0 HG3 GLU A 24 64.105 -1.884 -12.569 1.00 0.00 H new ATOM 387 N ASN A 25 60.865 -3.066 -9.229 1.00 0.00 N ATOM 388 CA ASN A 25 59.614 -2.431 -8.832 1.00 0.00 C ATOM 389 C ASN A 25 59.634 -2.101 -7.343 1.00 0.00 C ATOM 390 O ASN A 25 59.152 -1.049 -6.924 1.00 0.00 O ATOM 391 CB ASN A 25 58.438 -3.363 -9.133 1.00 0.00 C ATOM 392 CG ASN A 25 57.334 -2.599 -9.858 1.00 0.00 C ATOM 393 OD1 ASN A 25 56.469 -2.001 -9.217 1.00 0.00 O ATOM 394 ND2 ASN A 25 57.304 -2.595 -11.162 1.00 0.00 N ATOM 0 H ASN A 25 60.781 -4.052 -9.475 1.00 0.00 H new ATOM 0 HA ASN A 25 59.499 -1.507 -9.398 1.00 0.00 H new ATOM 0 HB2 ASN A 25 58.775 -4.199 -9.746 1.00 0.00 H new ATOM 0 HB3 ASN A 25 58.051 -3.783 -8.205 1.00 0.00 H new ATOM 0 HD21 ASN A 25 56.563 -2.096 -11.654 1.00 0.00 H new ATOM 0 HD22 ASN A 25 58.022 -3.091 -11.690 1.00 0.00 H new ATOM 401 N ALA A 26 60.194 -3.009 -6.550 1.00 0.00 N ATOM 402 CA ALA A 26 60.270 -2.805 -5.106 1.00 0.00 C ATOM 403 C ALA A 26 61.154 -1.605 -4.783 1.00 0.00 C ATOM 404 O ALA A 26 60.790 -0.756 -3.967 1.00 0.00 O ATOM 405 CB ALA A 26 60.836 -4.056 -4.432 1.00 0.00 C ATOM 0 H ALA A 26 60.599 -3.886 -6.878 1.00 0.00 H new ATOM 0 HA ALA A 26 59.265 -2.614 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 26 60.890 -3.896 -3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 26 60.187 -4.907 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 26 61.835 -4.258 -4.819 1.00 0.00 H new ATOM 411 N LYS A 27 62.314 -1.535 -5.429 1.00 0.00 N ATOM 412 CA LYS A 27 63.235 -0.429 -5.203 1.00 0.00 C ATOM 413 C LYS A 27 62.591 0.886 -5.623 1.00 0.00 C ATOM 414 O LYS A 27 62.698 1.894 -4.925 1.00 0.00 O ATOM 415 CB LYS A 27 64.523 -0.648 -5.999 1.00 0.00 C ATOM 416 CG LYS A 27 65.476 -1.536 -5.199 1.00 0.00 C ATOM 417 CD LYS A 27 66.578 -2.064 -6.121 1.00 0.00 C ATOM 418 CE LYS A 27 67.747 -2.577 -5.279 1.00 0.00 C ATOM 419 NZ LYS A 27 68.486 -3.624 -6.040 1.00 0.00 N ATOM 0 H LYS A 27 62.636 -2.225 -6.107 1.00 0.00 H new ATOM 0 HA LYS A 27 63.473 -0.385 -4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 27 64.295 -1.113 -6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 27 64.997 0.310 -6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 27 65.915 -0.969 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 27 64.929 -2.368 -4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.189 -2.866 -6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.917 -1.273 -6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 27 68.417 -1.754 -5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 27 67.379 -2.987 -4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 69.281 -3.973 -5.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 67.844 -4.413 -6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 68.849 -3.218 -6.926 1.00 0.00 H new ATOM 433 N ALA A 28 61.916 0.865 -6.767 1.00 0.00 N ATOM 434 CA ALA A 28 61.252 2.059 -7.271 1.00 0.00 C ATOM 435 C ALA A 28 60.154 2.501 -6.309 1.00 0.00 C ATOM 436 O ALA A 28 59.864 3.690 -6.185 1.00 0.00 O ATOM 437 CB ALA A 28 60.645 1.779 -8.648 1.00 0.00 C ATOM 0 H ALA A 28 61.815 0.040 -7.358 1.00 0.00 H new ATOM 0 HA ALA A 28 61.990 2.856 -7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 28 60.150 2.677 -9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 28 61.434 1.488 -9.341 1.00 0.00 H new ATOM 0 HB3 ALA A 28 59.917 0.971 -8.567 1.00 0.00 H new ATOM 443 N LYS A 29 59.546 1.534 -5.630 1.00 0.00 N ATOM 444 CA LYS A 29 58.482 1.835 -4.681 1.00 0.00 C ATOM 445 C LYS A 29 59.033 2.599 -3.481 1.00 0.00 C ATOM 446 O LYS A 29 58.499 3.640 -3.104 1.00 0.00 O ATOM 447 CB LYS A 29 57.815 0.542 -4.208 1.00 0.00 C ATOM 448 CG LYS A 29 56.428 0.423 -4.845 1.00 0.00 C ATOM 449 CD LYS A 29 55.795 -0.913 -4.449 1.00 0.00 C ATOM 450 CE LYS A 29 54.427 -1.048 -5.120 1.00 0.00 C ATOM 451 NZ LYS A 29 53.933 -2.445 -4.967 1.00 0.00 N ATOM 0 H LYS A 29 59.770 0.543 -5.718 1.00 0.00 H new ATOM 0 HA LYS A 29 57.741 2.457 -5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 29 58.428 -0.317 -4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 29 57.730 0.540 -3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 29 55.795 1.248 -4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 29 56.508 0.492 -5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 29 56.442 -1.737 -4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 29 55.688 -0.970 -3.366 1.00 0.00 H new ATOM 0 HE2 LYS A 29 53.720 -0.350 -4.672 1.00 0.00 H new ATOM 0 HE3 LYS A 29 54.502 -0.791 -6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 53.003 -2.536 -5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 54.604 -3.101 -5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 53.847 -2.674 -3.956 1.00 0.00 H new ATOM 465 N ILE A 30 60.107 2.085 -2.889 1.00 0.00 N ATOM 466 CA ILE A 30 60.716 2.737 -1.733 1.00 0.00 C ATOM 467 C ILE A 30 61.166 4.146 -2.098 1.00 0.00 C ATOM 468 O ILE A 30 61.114 5.057 -1.273 1.00 0.00 O ATOM 469 CB ILE A 30 61.918 1.921 -1.249 1.00 0.00 C ATOM 470 CG1 ILE A 30 61.435 0.830 -0.290 1.00 0.00 C ATOM 471 CG2 ILE A 30 62.914 2.832 -0.521 1.00 0.00 C ATOM 472 CD1 ILE A 30 62.350 -0.388 -0.406 1.00 0.00 C ATOM 0 H ILE A 30 60.571 1.227 -3.187 1.00 0.00 H new ATOM 0 HA ILE A 30 59.976 2.798 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 30 62.412 1.468 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 30 61.436 1.204 0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 30 60.408 0.551 -0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 30 63.765 2.242 -0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 30 63.260 3.610 -1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 30 62.425 3.293 0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 30 62.008 -1.166 0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 30 62.326 -0.765 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 30 63.370 -0.103 -0.149 1.00 0.00 H new ATOM 484 N GLN A 31 61.604 4.319 -3.338 1.00 0.00 N ATOM 485 CA GLN A 31 62.056 5.623 -3.795 1.00 0.00 C ATOM 486 C GLN A 31 60.942 6.654 -3.639 1.00 0.00 C ATOM 487 O GLN A 31 61.206 7.837 -3.446 1.00 0.00 O ATOM 488 CB GLN A 31 62.487 5.549 -5.260 1.00 0.00 C ATOM 489 CG GLN A 31 62.841 6.950 -5.761 1.00 0.00 C ATOM 490 CD GLN A 31 61.683 7.526 -6.572 1.00 0.00 C ATOM 491 OE1 GLN A 31 60.532 7.140 -6.370 1.00 0.00 O ATOM 492 NE2 GLN A 31 61.922 8.433 -7.479 1.00 0.00 N ATOM 0 H GLN A 31 61.655 3.579 -4.038 1.00 0.00 H new ATOM 0 HA GLN A 31 62.908 5.926 -3.187 1.00 0.00 H new ATOM 0 HB2 GLN A 31 63.346 4.887 -5.364 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.684 5.127 -5.865 1.00 0.00 H new ATOM 0 HG2 GLN A 31 63.063 7.602 -4.916 1.00 0.00 H new ATOM 0 HG3 GLN A 31 63.740 6.908 -6.376 1.00 0.00 H new ATOM 0 HE21 GLN A 31 62.877 8.750 -7.644 1.00 0.00 H new ATOM 0 HE22 GLN A 31 61.154 8.825 -8.023 1.00 0.00 H new ATOM 501 N ASP A 32 59.699 6.199 -3.730 1.00 0.00 N ATOM 502 CA ASP A 32 58.556 7.098 -3.601 1.00 0.00 C ATOM 503 C ASP A 32 58.299 7.465 -2.138 1.00 0.00 C ATOM 504 O ASP A 32 57.955 8.604 -1.829 1.00 0.00 O ATOM 505 CB ASP A 32 57.306 6.441 -4.190 1.00 0.00 C ATOM 506 CG ASP A 32 56.165 7.451 -4.249 1.00 0.00 C ATOM 507 OD1 ASP A 32 56.386 8.535 -4.764 1.00 0.00 O ATOM 508 OD2 ASP A 32 55.087 7.127 -3.780 1.00 0.00 O ATOM 0 H ASP A 32 59.456 5.222 -3.891 1.00 0.00 H new ATOM 0 HA ASP A 32 58.785 8.012 -4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 32 57.520 6.063 -5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 32 57.014 5.585 -3.582 1.00 0.00 H new ATOM 513 N LYS A 33 58.444 6.487 -1.248 1.00 0.00 N ATOM 514 CA LYS A 33 58.201 6.719 0.174 1.00 0.00 C ATOM 515 C LYS A 33 59.388 7.398 0.856 1.00 0.00 C ATOM 516 O LYS A 33 59.201 8.260 1.714 1.00 0.00 O ATOM 517 CB LYS A 33 57.918 5.383 0.879 1.00 0.00 C ATOM 518 CG LYS A 33 56.479 4.906 0.608 1.00 0.00 C ATOM 519 CD LYS A 33 56.459 3.996 -0.619 1.00 0.00 C ATOM 520 CE LYS A 33 56.735 2.553 -0.189 1.00 0.00 C ATOM 521 NZ LYS A 33 55.596 2.060 0.635 1.00 0.00 N ATOM 0 H LYS A 33 58.726 5.535 -1.482 1.00 0.00 H new ATOM 0 HA LYS A 33 57.339 7.382 0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 33 58.625 4.629 0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 33 58.071 5.495 1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 33 56.094 4.371 1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 33 55.826 5.764 0.447 1.00 0.00 H new ATOM 0 HD2 LYS A 33 55.491 4.060 -1.116 1.00 0.00 H new ATOM 0 HD3 LYS A 33 57.210 4.322 -1.339 1.00 0.00 H new ATOM 0 HE2 LYS A 33 56.866 1.919 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 33 57.662 2.502 0.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 55.919 1.891 1.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 54.838 2.772 0.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 55.235 1.172 0.232 1.00 0.00 H new ATOM 535 N GLU A 34 60.605 6.994 0.502 1.00 0.00 N ATOM 536 CA GLU A 34 61.792 7.570 1.132 1.00 0.00 C ATOM 537 C GLU A 34 62.407 8.689 0.293 1.00 0.00 C ATOM 538 O GLU A 34 63.264 9.429 0.778 1.00 0.00 O ATOM 539 CB GLU A 34 62.837 6.479 1.372 1.00 0.00 C ATOM 540 CG GLU A 34 62.224 5.359 2.215 1.00 0.00 C ATOM 541 CD GLU A 34 61.885 5.878 3.608 1.00 0.00 C ATOM 542 OE1 GLU A 34 62.405 6.920 3.973 1.00 0.00 O ATOM 543 OE2 GLU A 34 61.102 5.234 4.287 1.00 0.00 O ATOM 0 H GLU A 34 60.795 6.283 -0.204 1.00 0.00 H new ATOM 0 HA GLU A 34 61.476 8.002 2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 34 63.188 6.081 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 34 63.705 6.898 1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 34 61.324 4.980 1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 34 62.922 4.525 2.289 1.00 0.00 H new ATOM 550 N GLY A 35 61.977 8.821 -0.957 1.00 0.00 N ATOM 551 CA GLY A 35 62.520 9.869 -1.819 1.00 0.00 C ATOM 552 C GLY A 35 63.994 9.615 -2.119 1.00 0.00 C ATOM 553 O GLY A 35 64.683 10.477 -2.667 1.00 0.00 O ATOM 0 H GLY A 35 61.268 8.230 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.956 9.908 -2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 35 62.405 10.839 -1.336 1.00 0.00 H new ATOM 557 N ILE A 36 64.473 8.430 -1.753 1.00 0.00 N ATOM 558 CA ILE A 36 65.869 8.074 -1.982 1.00 0.00 C ATOM 559 C ILE A 36 66.061 7.508 -3.399 1.00 0.00 C ATOM 560 O ILE A 36 65.429 6.512 -3.746 1.00 0.00 O ATOM 561 CB ILE A 36 66.301 7.018 -0.960 1.00 0.00 C ATOM 562 CG1 ILE A 36 66.143 7.588 0.452 1.00 0.00 C ATOM 563 CG2 ILE A 36 67.764 6.646 -1.198 1.00 0.00 C ATOM 564 CD1 ILE A 36 66.246 6.455 1.476 1.00 0.00 C ATOM 0 H ILE A 36 63.919 7.704 -1.299 1.00 0.00 H new ATOM 0 HA ILE A 36 66.477 8.973 -1.875 1.00 0.00 H new ATOM 0 HB ILE A 36 65.680 6.129 -1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 36 66.914 8.335 0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 36 65.181 8.091 0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 36 68.071 5.895 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 36 67.878 6.244 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 36 68.388 7.533 -1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 36 66.133 6.862 2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.459 5.724 1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 36 67.219 5.972 1.387 1.00 0.00 H new ATOM 576 N PRO A 37 66.912 8.092 -4.225 1.00 0.00 N ATOM 577 CA PRO A 37 67.141 7.576 -5.605 1.00 0.00 C ATOM 578 C PRO A 37 67.291 6.052 -5.617 1.00 0.00 C ATOM 579 O PRO A 37 67.614 5.451 -4.593 1.00 0.00 O ATOM 580 CB PRO A 37 68.442 8.256 -6.036 1.00 0.00 C ATOM 581 CG PRO A 37 68.515 9.521 -5.248 1.00 0.00 C ATOM 582 CD PRO A 37 67.736 9.288 -3.952 1.00 0.00 C ATOM 0 HA PRO A 37 66.307 7.791 -6.273 1.00 0.00 H new ATOM 0 HB2 PRO A 37 69.303 7.618 -5.834 1.00 0.00 H new ATOM 0 HB3 PRO A 37 68.441 8.461 -7.107 1.00 0.00 H new ATOM 0 HG2 PRO A 37 69.551 9.782 -5.033 1.00 0.00 H new ATOM 0 HG3 PRO A 37 68.087 10.351 -5.811 1.00 0.00 H new ATOM 0 HD2 PRO A 37 68.408 9.123 -3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 37 67.116 10.149 -3.702 1.00 0.00 H new ATOM 590 N PRO A 38 67.065 5.417 -6.743 1.00 0.00 N ATOM 591 CA PRO A 38 67.184 3.934 -6.858 1.00 0.00 C ATOM 592 C PRO A 38 68.636 3.463 -6.820 1.00 0.00 C ATOM 593 O PRO A 38 68.929 2.361 -6.356 1.00 0.00 O ATOM 594 CB PRO A 38 66.546 3.623 -8.213 1.00 0.00 C ATOM 595 CG PRO A 38 66.698 4.870 -9.016 1.00 0.00 C ATOM 596 CD PRO A 38 66.674 6.033 -8.023 1.00 0.00 C ATOM 0 HA PRO A 38 66.702 3.422 -6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.041 2.781 -8.697 1.00 0.00 H new ATOM 0 HB3 PRO A 38 65.496 3.353 -8.101 1.00 0.00 H new ATOM 0 HG2 PRO A 38 67.632 4.858 -9.577 1.00 0.00 H new ATOM 0 HG3 PRO A 38 65.891 4.964 -9.743 1.00 0.00 H new ATOM 0 HD2 PRO A 38 67.368 6.821 -8.315 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.684 6.486 -7.962 1.00 0.00 H new ATOM 604 N ASP A 39 69.541 4.304 -7.313 1.00 0.00 N ATOM 605 CA ASP A 39 70.958 3.959 -7.333 1.00 0.00 C ATOM 606 C ASP A 39 71.535 3.960 -5.921 1.00 0.00 C ATOM 607 O ASP A 39 72.492 3.241 -5.630 1.00 0.00 O ATOM 608 CB ASP A 39 71.725 4.959 -8.201 1.00 0.00 C ATOM 609 CG ASP A 39 71.495 4.649 -9.676 1.00 0.00 C ATOM 610 OD1 ASP A 39 70.992 5.516 -10.371 1.00 0.00 O ATOM 611 OD2 ASP A 39 71.817 3.547 -10.087 1.00 0.00 O ATOM 0 H ASP A 39 69.321 5.221 -7.701 1.00 0.00 H new ATOM 0 HA ASP A 39 71.061 2.958 -7.751 1.00 0.00 H new ATOM 0 HB2 ASP A 39 71.396 5.974 -7.978 1.00 0.00 H new ATOM 0 HB3 ASP A 39 72.790 4.911 -7.972 1.00 0.00 H new ATOM 616 N GLN A 40 70.949 4.768 -5.046 1.00 0.00 N ATOM 617 CA GLN A 40 71.415 4.851 -3.666 1.00 0.00 C ATOM 618 C GLN A 40 70.644 3.876 -2.781 1.00 0.00 C ATOM 619 O GLN A 40 70.726 3.941 -1.556 1.00 0.00 O ATOM 620 CB GLN A 40 71.232 6.275 -3.137 1.00 0.00 C ATOM 621 CG GLN A 40 72.452 7.119 -3.510 1.00 0.00 C ATOM 622 CD GLN A 40 72.047 8.580 -3.669 1.00 0.00 C ATOM 623 OE1 GLN A 40 71.268 9.100 -2.869 1.00 0.00 O ATOM 624 NE2 GLN A 40 72.530 9.277 -4.661 1.00 0.00 N ATOM 0 H GLN A 40 70.156 5.371 -5.264 1.00 0.00 H new ATOM 0 HA GLN A 40 72.473 4.588 -3.643 1.00 0.00 H new ATOM 0 HB2 GLN A 40 70.329 6.717 -3.557 1.00 0.00 H new ATOM 0 HB3 GLN A 40 71.105 6.259 -2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 40 73.217 7.027 -2.739 1.00 0.00 H new ATOM 0 HG3 GLN A 40 72.889 6.751 -4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 40 73.175 8.844 -5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 40 72.263 10.255 -4.775 1.00 0.00 H new ATOM 633 N GLN A 41 69.900 2.974 -3.414 1.00 0.00 N ATOM 634 CA GLN A 41 69.118 1.988 -2.676 1.00 0.00 C ATOM 635 C GLN A 41 69.787 0.619 -2.729 1.00 0.00 C ATOM 636 O GLN A 41 70.154 0.138 -3.802 1.00 0.00 O ATOM 637 CB GLN A 41 67.708 1.895 -3.264 1.00 0.00 C ATOM 638 CG GLN A 41 66.806 2.926 -2.585 1.00 0.00 C ATOM 639 CD GLN A 41 65.418 2.906 -3.217 1.00 0.00 C ATOM 640 OE1 GLN A 41 64.910 1.844 -3.573 1.00 0.00 O ATOM 641 NE2 GLN A 41 64.769 4.029 -3.372 1.00 0.00 N ATOM 0 H GLN A 41 69.822 2.905 -4.429 1.00 0.00 H new ATOM 0 HA GLN A 41 69.058 2.306 -1.635 1.00 0.00 H new ATOM 0 HB2 GLN A 41 67.738 2.073 -4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 41 67.307 0.892 -3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 41 66.732 2.710 -1.519 1.00 0.00 H new ATOM 0 HG3 GLN A 41 67.242 3.920 -2.679 1.00 0.00 H new ATOM 0 HE21 GLN A 41 65.193 4.908 -3.076 1.00 0.00 H new ATOM 0 HE22 GLN A 41 63.838 4.027 -3.789 1.00 0.00 H new ATOM 650 N ARG A 42 69.942 -0.001 -1.563 1.00 0.00 N ATOM 651 CA ARG A 42 70.570 -1.316 -1.481 1.00 0.00 C ATOM 652 C ARG A 42 69.740 -2.247 -0.601 1.00 0.00 C ATOM 653 O ARG A 42 69.748 -2.130 0.624 1.00 0.00 O ATOM 654 CB ARG A 42 71.978 -1.187 -0.902 1.00 0.00 C ATOM 655 CG ARG A 42 72.990 -1.790 -1.878 1.00 0.00 C ATOM 656 CD ARG A 42 74.373 -1.798 -1.230 1.00 0.00 C ATOM 657 NE ARG A 42 75.409 -1.924 -2.249 1.00 0.00 N ATOM 658 CZ ARG A 42 76.618 -2.383 -1.943 1.00 0.00 C ATOM 659 NH1 ARG A 42 77.532 -2.483 -2.869 1.00 0.00 N ATOM 660 NH2 ARG A 42 76.891 -2.735 -0.716 1.00 0.00 N ATOM 0 H ARG A 42 69.643 0.383 -0.667 1.00 0.00 H new ATOM 0 HA ARG A 42 70.629 -1.735 -2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 42 72.213 -0.138 -0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 42 72.035 -1.698 0.059 1.00 0.00 H new ATOM 0 HG2 ARG A 42 72.695 -2.805 -2.145 1.00 0.00 H new ATOM 0 HG3 ARG A 42 73.012 -1.211 -2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 42 74.521 -0.879 -0.663 1.00 0.00 H new ATOM 0 HD3 ARG A 42 74.446 -2.625 -0.523 1.00 0.00 H new ATOM 0 HE ARG A 42 75.202 -1.656 -3.211 1.00 0.00 H new ATOM 0 HH11 ARG A 42 77.319 -2.209 -3.828 1.00 0.00 H new ATOM 0 HH12 ARG A 42 78.460 -2.835 -2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 42 76.176 -2.658 0.008 1.00 0.00 H new ATOM 0 HH22 ARG A 42 77.819 -3.087 -0.481 1.00 0.00 H new ATOM 674 N LEU A 43 69.022 -3.169 -1.235 1.00 0.00 N ATOM 675 CA LEU A 43 68.188 -4.112 -0.497 1.00 0.00 C ATOM 676 C LEU A 43 68.922 -5.433 -0.290 1.00 0.00 C ATOM 677 O LEU A 43 69.382 -6.055 -1.247 1.00 0.00 O ATOM 678 CB LEU A 43 66.885 -4.364 -1.261 1.00 0.00 C ATOM 679 CG LEU A 43 65.734 -3.625 -0.573 1.00 0.00 C ATOM 680 CD1 LEU A 43 64.491 -3.680 -1.461 1.00 0.00 C ATOM 681 CD2 LEU A 43 65.425 -4.285 0.775 1.00 0.00 C ATOM 0 H LEU A 43 69.000 -3.283 -2.248 1.00 0.00 H new ATOM 0 HA LEU A 43 67.962 -3.681 0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 43 66.984 -4.023 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.674 -5.433 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 43 66.022 -2.587 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 43 63.671 -3.154 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 43 64.707 -3.206 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 43 64.208 -4.719 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 43 64.605 -3.755 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 43 65.140 -5.325 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 43 66.309 -4.245 1.411 1.00 0.00 H new ATOM 693 N ILE A 44 69.026 -5.853 0.968 1.00 0.00 N ATOM 694 CA ILE A 44 69.704 -7.103 1.298 1.00 0.00 C ATOM 695 C ILE A 44 68.841 -7.945 2.232 1.00 0.00 C ATOM 696 O ILE A 44 68.255 -7.428 3.182 1.00 0.00 O ATOM 697 CB ILE A 44 71.049 -6.814 1.970 1.00 0.00 C ATOM 698 CG1 ILE A 44 71.973 -6.070 0.996 1.00 0.00 C ATOM 699 CG2 ILE A 44 71.706 -8.134 2.378 1.00 0.00 C ATOM 700 CD1 ILE A 44 71.830 -4.562 1.203 1.00 0.00 C ATOM 0 H ILE A 44 68.652 -5.349 1.772 1.00 0.00 H new ATOM 0 HA ILE A 44 69.874 -7.655 0.374 1.00 0.00 H new ATOM 0 HB ILE A 44 70.882 -6.195 2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 44 73.008 -6.373 1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 44 71.721 -6.332 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 44 72.664 -7.931 2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 44 71.057 -8.663 3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 44 71.866 -8.750 1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 44 72.487 -4.036 0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 44 70.797 -4.266 1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 44 72.104 -4.308 2.227 1.00 0.00 H new ATOM 712 N PHE A 45 68.771 -9.243 1.959 1.00 0.00 N ATOM 713 CA PHE A 45 67.979 -10.149 2.784 1.00 0.00 C ATOM 714 C PHE A 45 68.889 -10.964 3.699 1.00 0.00 C ATOM 715 O PHE A 45 70.113 -10.849 3.633 1.00 0.00 O ATOM 716 CB PHE A 45 67.164 -11.086 1.891 1.00 0.00 C ATOM 717 CG PHE A 45 66.336 -12.017 2.746 1.00 0.00 C ATOM 718 CD1 PHE A 45 66.583 -13.394 2.728 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.320 -11.498 3.559 1.00 0.00 C ATOM 720 CE1 PHE A 45 65.815 -14.254 3.522 1.00 0.00 C ATOM 721 CE2 PHE A 45 64.553 -12.358 4.354 1.00 0.00 C ATOM 722 CZ PHE A 45 64.800 -13.736 4.335 1.00 0.00 C ATOM 0 H PHE A 45 69.250 -9.690 1.177 1.00 0.00 H new ATOM 0 HA PHE A 45 67.300 -9.560 3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 45 66.515 -10.505 1.236 1.00 0.00 H new ATOM 0 HB3 PHE A 45 67.830 -11.663 1.250 1.00 0.00 H new ATOM 0 HD1 PHE A 45 67.367 -13.794 2.101 1.00 0.00 H new ATOM 0 HD2 PHE A 45 65.129 -10.435 3.572 1.00 0.00 H new ATOM 0 HE1 PHE A 45 66.006 -15.317 3.507 1.00 0.00 H new ATOM 0 HE2 PHE A 45 63.771 -11.958 4.982 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.207 -14.399 4.948 1.00 0.00 H new ATOM 732 N ALA A 46 68.286 -11.784 4.554 1.00 0.00 N ATOM 733 CA ALA A 46 69.056 -12.610 5.480 1.00 0.00 C ATOM 734 C ALA A 46 70.020 -13.519 4.725 1.00 0.00 C ATOM 735 O ALA A 46 70.788 -14.267 5.330 1.00 0.00 O ATOM 736 CB ALA A 46 68.113 -13.459 6.331 1.00 0.00 C ATOM 0 H ALA A 46 67.275 -11.895 4.626 1.00 0.00 H new ATOM 0 HA ALA A 46 69.634 -11.949 6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 46 68.696 -14.072 7.019 1.00 0.00 H new ATOM 0 HB2 ALA A 46 67.449 -12.807 6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 46 67.520 -14.105 5.683 1.00 0.00 H new ATOM 742 N GLY A 47 69.978 -13.446 3.400 1.00 0.00 N ATOM 743 CA GLY A 47 70.854 -14.265 2.570 1.00 0.00 C ATOM 744 C GLY A 47 72.172 -13.547 2.302 1.00 0.00 C ATOM 745 O GLY A 47 72.885 -13.871 1.352 1.00 0.00 O ATOM 0 H GLY A 47 69.351 -12.832 2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 47 71.047 -15.216 3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 47 70.360 -14.492 1.625 1.00 0.00 H new ATOM 749 N LYS A 48 72.489 -12.569 3.144 1.00 0.00 N ATOM 750 CA LYS A 48 73.725 -11.809 2.988 1.00 0.00 C ATOM 751 C LYS A 48 74.905 -12.746 2.750 1.00 0.00 C ATOM 752 O LYS A 48 75.926 -12.343 2.193 1.00 0.00 O ATOM 753 CB LYS A 48 73.989 -10.965 4.238 1.00 0.00 C ATOM 754 CG LYS A 48 73.046 -11.393 5.364 1.00 0.00 C ATOM 755 CD LYS A 48 73.492 -10.742 6.674 1.00 0.00 C ATOM 756 CE LYS A 48 72.401 -10.919 7.730 1.00 0.00 C ATOM 757 NZ LYS A 48 72.083 -12.369 7.880 1.00 0.00 N ATOM 0 H LYS A 48 71.912 -12.285 3.936 1.00 0.00 H new ATOM 0 HA LYS A 48 73.614 -11.152 2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 48 75.025 -11.083 4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 48 73.843 -9.909 4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 48 72.023 -11.099 5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 48 73.050 -12.478 5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 48 74.422 -11.193 7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 48 73.691 -9.682 6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 48 72.733 -10.508 8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 48 71.506 -10.368 7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 71.541 -12.517 8.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 71.519 -12.687 7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 72.967 -12.916 7.924 1.00 0.00 H new ATOM 771 N GLN A 49 74.758 -13.996 3.176 1.00 0.00 N ATOM 772 CA GLN A 49 75.818 -14.981 3.002 1.00 0.00 C ATOM 773 C GLN A 49 76.438 -14.862 1.614 1.00 0.00 C ATOM 774 O GLN A 49 75.763 -14.487 0.654 1.00 0.00 O ATOM 775 CB GLN A 49 75.259 -16.392 3.199 1.00 0.00 C ATOM 776 CG GLN A 49 75.112 -16.678 4.693 1.00 0.00 C ATOM 777 CD GLN A 49 74.442 -18.032 4.904 1.00 0.00 C ATOM 778 OE1 GLN A 49 74.970 -18.882 5.619 1.00 0.00 O ATOM 779 NE2 GLN A 49 73.300 -18.280 4.324 1.00 0.00 N ATOM 0 H GLN A 49 73.921 -14.349 3.641 1.00 0.00 H new ATOM 0 HA GLN A 49 76.590 -14.792 3.748 1.00 0.00 H new ATOM 0 HB2 GLN A 49 74.293 -16.484 2.703 1.00 0.00 H new ATOM 0 HB3 GLN A 49 75.923 -17.125 2.741 1.00 0.00 H new ATOM 0 HG2 GLN A 49 76.092 -16.670 5.171 1.00 0.00 H new ATOM 0 HG3 GLN A 49 74.521 -15.893 5.165 1.00 0.00 H new ATOM 0 HE21 GLN A 49 72.865 -17.573 3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 49 72.842 -19.181 4.463 1.00 0.00 H new ATOM 788 N LEU A 50 77.726 -15.182 1.516 1.00 0.00 N ATOM 789 CA LEU A 50 78.432 -15.105 0.238 1.00 0.00 C ATOM 790 C LEU A 50 77.542 -15.606 -0.895 1.00 0.00 C ATOM 791 O LEU A 50 77.345 -16.810 -1.057 1.00 0.00 O ATOM 792 CB LEU A 50 79.724 -15.936 0.268 1.00 0.00 C ATOM 793 CG LEU A 50 79.939 -16.559 1.652 1.00 0.00 C ATOM 794 CD1 LEU A 50 81.147 -17.496 1.599 1.00 0.00 C ATOM 795 CD2 LEU A 50 80.207 -15.452 2.676 1.00 0.00 C ATOM 0 H LEU A 50 78.299 -15.495 2.299 1.00 0.00 H new ATOM 0 HA LEU A 50 78.688 -14.059 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 50 79.674 -16.722 -0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 50 80.574 -15.304 0.013 1.00 0.00 H new ATOM 0 HG LEU A 50 79.049 -17.117 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 50 81.305 -17.942 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 50 80.965 -18.283 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 50 82.033 -16.931 1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 50 80.360 -15.896 3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 50 81.099 -14.896 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 50 79.353 -14.775 2.712 1.00 0.00 H new ATOM 807 N GLU A 51 77.008 -14.673 -1.677 1.00 0.00 N ATOM 808 CA GLU A 51 76.141 -15.030 -2.794 1.00 0.00 C ATOM 809 C GLU A 51 76.944 -15.125 -4.085 1.00 0.00 C ATOM 810 O GLU A 51 77.950 -14.439 -4.255 1.00 0.00 O ATOM 811 CB GLU A 51 75.036 -13.985 -2.952 1.00 0.00 C ATOM 812 CG GLU A 51 73.721 -14.545 -2.406 1.00 0.00 C ATOM 813 CD GLU A 51 72.654 -13.454 -2.395 1.00 0.00 C ATOM 814 OE1 GLU A 51 72.972 -12.347 -1.991 1.00 0.00 O ATOM 815 OE2 GLU A 51 71.537 -13.741 -2.790 1.00 0.00 O ATOM 0 H GLU A 51 77.159 -13.671 -1.559 1.00 0.00 H new ATOM 0 HA GLU A 51 75.693 -16.002 -2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 51 75.304 -13.073 -2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 51 74.921 -13.718 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 51 73.390 -15.383 -3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 51 73.871 -14.929 -1.397 1.00 0.00 H new ATOM 822 N ASP A 52 76.487 -15.980 -4.992 1.00 0.00 N ATOM 823 CA ASP A 52 77.168 -16.161 -6.268 1.00 0.00 C ATOM 824 C ASP A 52 76.904 -14.975 -7.190 1.00 0.00 C ATOM 825 O ASP A 52 77.674 -14.712 -8.113 1.00 0.00 O ATOM 826 CB ASP A 52 76.686 -17.449 -6.939 1.00 0.00 C ATOM 827 CG ASP A 52 77.162 -18.661 -6.145 1.00 0.00 C ATOM 828 OD1 ASP A 52 78.129 -19.276 -6.566 1.00 0.00 O ATOM 829 OD2 ASP A 52 76.556 -18.955 -5.130 1.00 0.00 O ATOM 0 H ASP A 52 75.654 -16.555 -4.869 1.00 0.00 H new ATOM 0 HA ASP A 52 78.240 -16.228 -6.080 1.00 0.00 H new ATOM 0 HB2 ASP A 52 75.598 -17.450 -7.003 1.00 0.00 H new ATOM 0 HB3 ASP A 52 77.065 -17.501 -7.960 1.00 0.00 H new ATOM 834 N GLY A 53 75.810 -14.266 -6.930 1.00 0.00 N ATOM 835 CA GLY A 53 75.446 -13.107 -7.740 1.00 0.00 C ATOM 836 C GLY A 53 73.999 -13.208 -8.210 1.00 0.00 C ATOM 837 O GLY A 53 73.600 -12.552 -9.173 1.00 0.00 O ATOM 0 H GLY A 53 75.163 -14.472 -6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 53 75.582 -12.195 -7.159 1.00 0.00 H new ATOM 0 HA3 GLY A 53 76.109 -13.037 -8.602 1.00 0.00 H new ATOM 841 N ARG A 54 73.216 -14.035 -7.522 1.00 0.00 N ATOM 842 CA ARG A 54 71.813 -14.215 -7.879 1.00 0.00 C ATOM 843 C ARG A 54 70.969 -13.072 -7.326 1.00 0.00 C ATOM 844 O ARG A 54 71.404 -12.339 -6.438 1.00 0.00 O ATOM 845 CB ARG A 54 71.300 -15.547 -7.324 1.00 0.00 C ATOM 846 CG ARG A 54 72.330 -16.644 -7.592 1.00 0.00 C ATOM 847 CD ARG A 54 72.588 -16.752 -9.094 1.00 0.00 C ATOM 848 NE ARG A 54 73.678 -15.866 -9.484 1.00 0.00 N ATOM 849 CZ ARG A 54 73.824 -15.467 -10.745 1.00 0.00 C ATOM 850 NH1 ARG A 54 74.810 -14.675 -11.069 1.00 0.00 N ATOM 851 NH2 ARG A 54 72.981 -15.866 -11.658 1.00 0.00 N ATOM 0 H ARG A 54 73.526 -14.586 -6.722 1.00 0.00 H new ATOM 0 HA ARG A 54 71.731 -14.219 -8.966 1.00 0.00 H new ATOM 0 HB2 ARG A 54 71.117 -15.460 -6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 54 70.349 -15.805 -7.790 1.00 0.00 H new ATOM 0 HG2 ARG A 54 73.259 -16.419 -7.069 1.00 0.00 H new ATOM 0 HG3 ARG A 54 71.969 -17.597 -7.206 1.00 0.00 H new ATOM 0 HD2 ARG A 54 72.836 -17.781 -9.354 1.00 0.00 H new ATOM 0 HD3 ARG A 54 71.684 -16.492 -9.645 1.00 0.00 H new ATOM 0 HE ARG A 54 74.341 -15.546 -8.778 1.00 0.00 H new ATOM 0 HH11 ARG A 54 75.468 -14.362 -10.356 1.00 0.00 H new ATOM 0 HH12 ARG A 54 74.922 -14.369 -12.036 1.00 0.00 H new ATOM 0 HH21 ARG A 54 72.210 -16.484 -11.405 1.00 0.00 H new ATOM 0 HH22 ARG A 54 73.093 -15.560 -12.624 1.00 0.00 H new ATOM 865 N THR A 55 69.760 -12.925 -7.858 1.00 0.00 N ATOM 866 CA THR A 55 68.862 -11.868 -7.411 1.00 0.00 C ATOM 867 C THR A 55 68.207 -12.245 -6.086 1.00 0.00 C ATOM 868 O THR A 55 68.170 -13.418 -5.713 1.00 0.00 O ATOM 869 CB THR A 55 67.780 -11.621 -8.464 1.00 0.00 C ATOM 870 OG1 THR A 55 66.997 -12.795 -8.621 1.00 0.00 O ATOM 871 CG2 THR A 55 68.437 -11.259 -9.798 1.00 0.00 C ATOM 0 H THR A 55 69.382 -13.521 -8.595 1.00 0.00 H new ATOM 0 HA THR A 55 69.446 -10.958 -7.269 1.00 0.00 H new ATOM 0 HB THR A 55 67.140 -10.799 -8.143 1.00 0.00 H new ATOM 0 HG1 THR A 55 66.302 -12.637 -9.294 1.00 0.00 H new ATOM 0 HG21 THR A 55 67.666 -11.083 -10.548 1.00 0.00 H new ATOM 0 HG22 THR A 55 69.036 -10.357 -9.675 1.00 0.00 H new ATOM 0 HG23 THR A 55 69.078 -12.079 -10.122 1.00 0.00 H new ATOM 879 N LEU A 56 67.697 -11.244 -5.377 1.00 0.00 N ATOM 880 CA LEU A 56 67.054 -11.476 -4.095 1.00 0.00 C ATOM 881 C LEU A 56 65.901 -12.463 -4.258 1.00 0.00 C ATOM 882 O LEU A 56 65.635 -13.275 -3.371 1.00 0.00 O ATOM 883 CB LEU A 56 66.510 -10.153 -3.526 1.00 0.00 C ATOM 884 CG LEU A 56 67.650 -9.208 -3.106 1.00 0.00 C ATOM 885 CD1 LEU A 56 68.539 -8.872 -4.302 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.048 -7.913 -2.552 1.00 0.00 C ATOM 0 H LEU A 56 67.718 -10.267 -5.670 1.00 0.00 H new ATOM 0 HA LEU A 56 67.793 -11.889 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 56 65.887 -9.663 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 56 65.873 -10.360 -2.666 1.00 0.00 H new ATOM 0 HG LEU A 56 68.254 -9.703 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.339 -8.203 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 56 68.971 -9.789 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 56 67.943 -8.384 -5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.850 -7.238 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 56 66.441 -7.436 -3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.425 -8.142 -1.688 1.00 0.00 H new ATOM 898 N SER A 57 65.219 -12.387 -5.396 1.00 0.00 N ATOM 899 CA SER A 57 64.097 -13.278 -5.663 1.00 0.00 C ATOM 900 C SER A 57 64.571 -14.726 -5.730 1.00 0.00 C ATOM 901 O SER A 57 63.835 -15.648 -5.375 1.00 0.00 O ATOM 902 CB SER A 57 63.429 -12.896 -6.983 1.00 0.00 C ATOM 903 OG SER A 57 62.166 -13.544 -7.074 1.00 0.00 O ATOM 0 H SER A 57 65.422 -11.723 -6.143 1.00 0.00 H new ATOM 0 HA SER A 57 63.376 -13.179 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 57 63.301 -11.815 -7.040 1.00 0.00 H new ATOM 0 HB3 SER A 57 64.061 -13.187 -7.822 1.00 0.00 H new ATOM 0 HG SER A 57 61.733 -13.300 -7.919 1.00 0.00 H new ATOM 909 N ASP A 58 65.804 -14.921 -6.187 1.00 0.00 N ATOM 910 CA ASP A 58 66.365 -16.262 -6.293 1.00 0.00 C ATOM 911 C ASP A 58 66.429 -16.923 -4.920 1.00 0.00 C ATOM 912 O ASP A 58 66.644 -18.129 -4.810 1.00 0.00 O ATOM 913 CB ASP A 58 67.769 -16.195 -6.896 1.00 0.00 C ATOM 914 CG ASP A 58 68.167 -17.560 -7.447 1.00 0.00 C ATOM 915 OD1 ASP A 58 67.820 -18.551 -6.825 1.00 0.00 O ATOM 916 OD2 ASP A 58 68.814 -17.595 -8.480 1.00 0.00 O ATOM 0 H ASP A 58 66.429 -14.173 -6.488 1.00 0.00 H new ATOM 0 HA ASP A 58 65.721 -16.856 -6.941 1.00 0.00 H new ATOM 0 HB2 ASP A 58 67.797 -15.451 -7.692 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.484 -15.877 -6.137 1.00 0.00 H new ATOM 921 N TYR A 59 66.239 -16.122 -3.877 1.00 0.00 N ATOM 922 CA TYR A 59 66.275 -16.639 -2.514 1.00 0.00 C ATOM 923 C TYR A 59 64.889 -17.113 -2.087 1.00 0.00 C ATOM 924 O TYR A 59 64.704 -17.596 -0.969 1.00 0.00 O ATOM 925 CB TYR A 59 66.759 -15.548 -1.557 1.00 0.00 C ATOM 926 CG TYR A 59 67.841 -16.104 -0.662 1.00 0.00 C ATOM 927 CD1 TYR A 59 67.556 -16.417 0.671 1.00 0.00 C ATOM 928 CD2 TYR A 59 69.132 -16.307 -1.167 1.00 0.00 C ATOM 929 CE1 TYR A 59 68.560 -16.931 1.500 1.00 0.00 C ATOM 930 CE2 TYR A 59 70.136 -16.821 -0.338 1.00 0.00 C ATOM 931 CZ TYR A 59 69.849 -17.134 0.996 1.00 0.00 C ATOM 932 OH TYR A 59 70.839 -17.641 1.813 1.00 0.00 O ATOM 0 H TYR A 59 66.060 -15.120 -3.948 1.00 0.00 H new ATOM 0 HA TYR A 59 66.963 -17.484 -2.481 1.00 0.00 H new ATOM 0 HB2 TYR A 59 67.141 -14.698 -2.122 1.00 0.00 H new ATOM 0 HB3 TYR A 59 65.927 -15.183 -0.955 1.00 0.00 H new ATOM 0 HD1 TYR A 59 66.561 -16.262 1.061 1.00 0.00 H new ATOM 0 HD2 TYR A 59 69.353 -16.067 -2.197 1.00 0.00 H new ATOM 0 HE1 TYR A 59 68.339 -17.171 2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 59 71.131 -16.976 -0.727 1.00 0.00 H new ATOM 0 HH TYR A 59 71.673 -17.721 1.305 1.00 0.00 H new ATOM 942 N ASN A 60 63.922 -16.976 -2.988 1.00 0.00 N ATOM 943 CA ASN A 60 62.557 -17.394 -2.697 1.00 0.00 C ATOM 944 C ASN A 60 62.029 -16.686 -1.453 1.00 0.00 C ATOM 945 O ASN A 60 61.510 -17.325 -0.537 1.00 0.00 O ATOM 946 CB ASN A 60 62.509 -18.909 -2.485 1.00 0.00 C ATOM 947 CG ASN A 60 63.141 -19.621 -3.674 1.00 0.00 C ATOM 948 OD1 ASN A 60 63.809 -18.989 -4.494 1.00 0.00 O ATOM 949 ND2 ASN A 60 62.971 -20.906 -3.821 1.00 0.00 N ATOM 0 H ASN A 60 64.057 -16.582 -3.919 1.00 0.00 H new ATOM 0 HA ASN A 60 61.928 -17.125 -3.545 1.00 0.00 H new ATOM 0 HB2 ASN A 60 63.038 -19.173 -1.569 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.476 -19.235 -2.362 1.00 0.00 H new ATOM 0 HD21 ASN A 60 63.391 -21.388 -4.615 1.00 0.00 H new ATOM 0 HD22 ASN A 60 62.418 -21.428 -3.142 1.00 0.00 H new ATOM 956 N ILE A 61 62.165 -15.364 -1.426 1.00 0.00 N ATOM 957 CA ILE A 61 61.697 -14.583 -0.287 1.00 0.00 C ATOM 958 C ILE A 61 60.339 -15.092 0.187 1.00 0.00 C ATOM 959 O ILE A 61 59.422 -15.275 -0.613 1.00 0.00 O ATOM 960 CB ILE A 61 61.589 -13.108 -0.674 1.00 0.00 C ATOM 961 CG1 ILE A 61 62.995 -12.525 -0.827 1.00 0.00 C ATOM 962 CG2 ILE A 61 60.837 -12.344 0.420 1.00 0.00 C ATOM 963 CD1 ILE A 61 62.906 -11.155 -1.500 1.00 0.00 C ATOM 0 H ILE A 61 62.591 -14.815 -2.173 1.00 0.00 H new ATOM 0 HA ILE A 61 62.415 -14.690 0.526 1.00 0.00 H new ATOM 0 HB ILE A 61 61.048 -13.016 -1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 61 63.471 -12.433 0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 61 63.616 -13.195 -1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 61 60.761 -11.293 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 61 59.837 -12.763 0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 61 61.377 -12.432 1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 61 63.907 -10.738 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.447 -11.262 -2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 61 62.300 -10.487 -0.887 1.00 0.00 H new ATOM 975 N GLN A 62 60.220 -15.323 1.490 1.00 0.00 N ATOM 976 CA GLN A 62 58.969 -15.816 2.054 1.00 0.00 C ATOM 977 C GLN A 62 58.140 -14.665 2.613 1.00 0.00 C ATOM 978 O GLN A 62 58.594 -13.521 2.654 1.00 0.00 O ATOM 979 CB GLN A 62 59.259 -16.825 3.168 1.00 0.00 C ATOM 980 CG GLN A 62 60.315 -17.824 2.692 1.00 0.00 C ATOM 981 CD GLN A 62 60.535 -18.893 3.756 1.00 0.00 C ATOM 982 OE1 GLN A 62 60.777 -18.570 4.919 1.00 0.00 O ATOM 983 NE2 GLN A 62 60.463 -20.153 3.428 1.00 0.00 N ATOM 0 H GLN A 62 60.967 -15.179 2.170 1.00 0.00 H new ATOM 0 HA GLN A 62 58.404 -16.303 1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 62 59.610 -16.306 4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 62 58.345 -17.350 3.444 1.00 0.00 H new ATOM 0 HG2 GLN A 62 59.995 -18.288 1.759 1.00 0.00 H new ATOM 0 HG3 GLN A 62 61.251 -17.306 2.486 1.00 0.00 H new ATOM 0 HE21 GLN A 62 60.262 -20.418 2.464 1.00 0.00 H new ATOM 0 HE22 GLN A 62 60.607 -20.873 4.136 1.00 0.00 H new ATOM 992 N LYS A 63 56.921 -14.976 3.044 1.00 0.00 N ATOM 993 CA LYS A 63 56.035 -13.959 3.600 1.00 0.00 C ATOM 994 C LYS A 63 56.548 -13.484 4.955 1.00 0.00 C ATOM 995 O LYS A 63 57.249 -14.215 5.655 1.00 0.00 O ATOM 996 CB LYS A 63 54.624 -14.528 3.758 1.00 0.00 C ATOM 997 CG LYS A 63 54.689 -15.852 4.520 1.00 0.00 C ATOM 998 CD LYS A 63 54.355 -17.004 3.571 1.00 0.00 C ATOM 999 CE LYS A 63 52.864 -16.974 3.232 1.00 0.00 C ATOM 1000 NZ LYS A 63 52.176 -18.109 3.912 1.00 0.00 N ATOM 0 H LYS A 63 56.527 -15.916 3.019 1.00 0.00 H new ATOM 0 HA LYS A 63 56.011 -13.111 2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 63 53.993 -13.819 4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 63 54.171 -14.682 2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 63 55.684 -15.992 4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 63 53.987 -15.839 5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 63 54.947 -16.921 2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 63 54.614 -17.956 4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 63 52.427 -16.027 3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 63 52.724 -17.044 2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 51.162 -18.089 3.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 52.587 -19.008 3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 52.299 -18.023 4.941 1.00 0.00 H new ATOM 1014 N GLU A 64 56.194 -12.255 5.318 1.00 0.00 N ATOM 1015 CA GLU A 64 56.626 -11.692 6.592 1.00 0.00 C ATOM 1016 C GLU A 64 58.142 -11.776 6.731 1.00 0.00 C ATOM 1017 O GLU A 64 58.661 -12.135 7.789 1.00 0.00 O ATOM 1018 CB GLU A 64 55.963 -12.447 7.746 1.00 0.00 C ATOM 1019 CG GLU A 64 54.522 -12.794 7.369 1.00 0.00 C ATOM 1020 CD GLU A 64 53.674 -12.942 8.627 1.00 0.00 C ATOM 1021 OE1 GLU A 64 54.201 -13.419 9.620 1.00 0.00 O ATOM 1022 OE2 GLU A 64 52.511 -12.580 8.581 1.00 0.00 O ATOM 0 H GLU A 64 55.614 -11.635 4.753 1.00 0.00 H new ATOM 0 HA GLU A 64 56.329 -10.644 6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 64 56.521 -13.357 7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 64 55.977 -11.837 8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 64 54.107 -12.014 6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 64 54.501 -13.721 6.795 1.00 0.00 H new ATOM 1029 N SER A 65 58.849 -11.442 5.656 1.00 0.00 N ATOM 1030 CA SER A 65 60.307 -11.484 5.668 1.00 0.00 C ATOM 1031 C SER A 65 60.881 -10.095 5.926 1.00 0.00 C ATOM 1032 O SER A 65 60.450 -9.113 5.320 1.00 0.00 O ATOM 1033 CB SER A 65 60.826 -12.013 4.331 1.00 0.00 C ATOM 1034 OG SER A 65 61.181 -13.382 4.473 1.00 0.00 O ATOM 0 H SER A 65 58.440 -11.141 4.771 1.00 0.00 H new ATOM 0 HA SER A 65 60.626 -12.151 6.469 1.00 0.00 H new ATOM 0 HB2 SER A 65 60.062 -11.902 3.562 1.00 0.00 H new ATOM 0 HB3 SER A 65 61.691 -11.433 4.008 1.00 0.00 H new ATOM 0 HG SER A 65 62.156 -13.472 4.445 1.00 0.00 H new ATOM 1040 N THR A 66 61.857 -10.020 6.824 1.00 0.00 N ATOM 1041 CA THR A 66 62.485 -8.745 7.152 1.00 0.00 C ATOM 1042 C THR A 66 63.676 -8.485 6.236 1.00 0.00 C ATOM 1043 O THR A 66 64.669 -9.213 6.272 1.00 0.00 O ATOM 1044 CB THR A 66 62.950 -8.752 8.610 1.00 0.00 C ATOM 1045 OG1 THR A 66 61.955 -9.362 9.419 1.00 0.00 O ATOM 1046 CG2 THR A 66 63.184 -7.316 9.080 1.00 0.00 C ATOM 0 H THR A 66 62.229 -10.821 7.335 1.00 0.00 H new ATOM 0 HA THR A 66 61.752 -7.951 7.010 1.00 0.00 H new ATOM 0 HB THR A 66 63.880 -9.314 8.693 1.00 0.00 H new ATOM 0 HG1 THR A 66 62.252 -9.369 10.353 1.00 0.00 H new ATOM 0 HG21 THR A 66 63.515 -7.322 10.118 1.00 0.00 H new ATOM 0 HG22 THR A 66 63.948 -6.850 8.458 1.00 0.00 H new ATOM 0 HG23 THR A 66 62.256 -6.751 8.999 1.00 0.00 H new ATOM 1054 N LEU A 67 63.570 -7.446 5.415 1.00 0.00 N ATOM 1055 CA LEU A 67 64.644 -7.100 4.492 1.00 0.00 C ATOM 1056 C LEU A 67 65.497 -5.969 5.058 1.00 0.00 C ATOM 1057 O LEU A 67 64.992 -5.089 5.754 1.00 0.00 O ATOM 1058 CB LEU A 67 64.058 -6.675 3.144 1.00 0.00 C ATOM 1059 CG LEU A 67 63.651 -7.920 2.351 1.00 0.00 C ATOM 1060 CD1 LEU A 67 62.374 -7.633 1.560 1.00 0.00 C ATOM 1061 CD2 LEU A 67 64.775 -8.297 1.384 1.00 0.00 C ATOM 0 H LEU A 67 62.757 -6.832 5.370 1.00 0.00 H new ATOM 0 HA LEU A 67 65.274 -7.979 4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 67 63.193 -6.030 3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 67 64.791 -6.096 2.582 1.00 0.00 H new ATOM 0 HG LEU A 67 63.470 -8.744 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 67 62.087 -8.521 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 67 61.572 -7.365 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 67 62.551 -6.808 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 67 64.487 -9.183 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 67 64.956 -7.471 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 67 65.685 -8.506 1.947 1.00 0.00 H new ATOM 1073 N HIS A 68 66.790 -6.000 4.756 1.00 0.00 N ATOM 1074 CA HIS A 68 67.704 -4.973 5.243 1.00 0.00 C ATOM 1075 C HIS A 68 67.935 -3.914 4.170 1.00 0.00 C ATOM 1076 O HIS A 68 68.505 -4.197 3.116 1.00 0.00 O ATOM 1077 CB HIS A 68 69.040 -5.603 5.635 1.00 0.00 C ATOM 1078 CG HIS A 68 68.841 -6.493 6.830 1.00 0.00 C ATOM 1079 ND1 HIS A 68 68.468 -7.822 6.706 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.954 -6.260 8.178 1.00 0.00 C ATOM 1081 CE1 HIS A 68 68.372 -8.334 7.947 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.658 -7.423 8.882 1.00 0.00 N ATOM 0 H HIS A 68 67.227 -6.720 4.180 1.00 0.00 H new ATOM 0 HA HIS A 68 67.257 -4.500 6.118 1.00 0.00 H new ATOM 0 HB2 HIS A 68 69.441 -6.179 4.801 1.00 0.00 H new ATOM 0 HB3 HIS A 68 69.768 -4.825 5.864 1.00 0.00 H new ATOM 0 HD2 HIS A 68 69.231 -5.316 8.625 1.00 0.00 H new ATOM 0 HE1 HIS A 68 68.097 -9.356 8.161 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.659 -7.552 9.894 1.00 0.00 H new ATOM 1090 N LEU A 69 67.486 -2.694 4.445 1.00 0.00 N ATOM 1091 CA LEU A 69 67.644 -1.598 3.496 1.00 0.00 C ATOM 1092 C LEU A 69 68.846 -0.736 3.873 1.00 0.00 C ATOM 1093 O LEU A 69 68.804 0.007 4.855 1.00 0.00 O ATOM 1094 CB LEU A 69 66.368 -0.747 3.478 1.00 0.00 C ATOM 1095 CG LEU A 69 66.594 0.544 2.680 1.00 0.00 C ATOM 1096 CD1 LEU A 69 67.221 0.218 1.322 1.00 0.00 C ATOM 1097 CD2 LEU A 69 65.250 1.239 2.458 1.00 0.00 C ATOM 0 H LEU A 69 67.012 -2.440 5.312 1.00 0.00 H new ATOM 0 HA LEU A 69 67.815 -2.011 2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 69 65.550 -1.316 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 69 66.072 -0.504 4.498 1.00 0.00 H new ATOM 0 HG LEU A 69 67.265 1.197 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 69 67.378 1.140 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 69 68.178 -0.281 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 69 66.554 -0.437 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 69 65.404 2.157 1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 69 64.586 0.577 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 69 64.801 1.479 3.422 1.00 0.00 H new ATOM 1109 N VAL A 70 69.912 -0.841 3.085 1.00 0.00 N ATOM 1110 CA VAL A 70 71.123 -0.069 3.340 1.00 0.00 C ATOM 1111 C VAL A 70 71.268 1.054 2.318 1.00 0.00 C ATOM 1112 O VAL A 70 70.878 0.905 1.159 1.00 0.00 O ATOM 1113 CB VAL A 70 72.350 -0.981 3.273 1.00 0.00 C ATOM 1114 CG1 VAL A 70 73.523 -0.310 3.991 1.00 0.00 C ATOM 1115 CG2 VAL A 70 72.031 -2.314 3.953 1.00 0.00 C ATOM 0 H VAL A 70 69.962 -1.450 2.268 1.00 0.00 H new ATOM 0 HA VAL A 70 71.048 0.367 4.336 1.00 0.00 H new ATOM 0 HB VAL A 70 72.615 -1.159 2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 70 74.398 -0.959 3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 70 73.750 0.640 3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 70 73.258 -0.133 5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 70 72.904 -2.965 3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 70 71.766 -2.137 4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 70 71.195 -2.792 3.443 1.00 0.00 H new ATOM 1125 N LEU A 71 71.828 2.177 2.758 1.00 0.00 N ATOM 1126 CA LEU A 71 72.021 3.324 1.878 1.00 0.00 C ATOM 1127 C LEU A 71 73.502 3.513 1.558 1.00 0.00 C ATOM 1128 O LEU A 71 74.364 3.293 2.410 1.00 0.00 O ATOM 1129 CB LEU A 71 71.477 4.588 2.546 1.00 0.00 C ATOM 1130 CG LEU A 71 70.097 4.297 3.139 1.00 0.00 C ATOM 1131 CD1 LEU A 71 69.534 5.571 3.773 1.00 0.00 C ATOM 1132 CD2 LEU A 71 69.156 3.822 2.029 1.00 0.00 C ATOM 0 H LEU A 71 72.155 2.317 3.714 1.00 0.00 H new ATOM 0 HA LEU A 71 71.482 3.141 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 71 72.158 4.921 3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 71 71.409 5.396 1.818 1.00 0.00 H new ATOM 0 HG LEU A 71 70.185 3.521 3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 71 68.551 5.363 4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 71 70.204 5.911 4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 71 69.446 6.347 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 71 68.172 3.614 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 71 69.069 4.598 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.556 2.915 1.576 1.00 0.00 H new ATOM 1144 N ARG A 72 73.788 3.923 0.327 1.00 0.00 N ATOM 1145 CA ARG A 72 75.168 4.138 -0.095 1.00 0.00 C ATOM 1146 C ARG A 72 75.505 5.626 -0.082 1.00 0.00 C ATOM 1147 O ARG A 72 74.916 6.412 -0.823 1.00 0.00 O ATOM 1148 CB ARG A 72 75.375 3.580 -1.505 1.00 0.00 C ATOM 1149 CG ARG A 72 75.763 2.103 -1.423 1.00 0.00 C ATOM 1150 CD ARG A 72 77.284 1.977 -1.306 1.00 0.00 C ATOM 1151 NE ARG A 72 77.650 0.623 -0.909 1.00 0.00 N ATOM 1152 CZ ARG A 72 77.673 0.262 0.370 1.00 0.00 C ATOM 1153 NH1 ARG A 72 77.999 -0.959 0.697 1.00 0.00 N ATOM 1154 NH2 ARG A 72 77.369 1.127 1.298 1.00 0.00 N ATOM 0 H ARG A 72 73.089 4.112 -0.391 1.00 0.00 H new ATOM 0 HA ARG A 72 75.827 3.620 0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 72 74.462 3.694 -2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 72 76.155 4.143 -2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 72 75.282 1.638 -0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 72 75.411 1.575 -2.309 1.00 0.00 H new ATOM 0 HD2 ARG A 72 77.751 2.222 -2.260 1.00 0.00 H new ATOM 0 HD3 ARG A 72 77.660 2.692 -0.574 1.00 0.00 H new ATOM 0 HE ARG A 72 77.893 -0.060 -1.626 1.00 0.00 H new ATOM 0 HH11 ARG A 72 78.236 -1.635 -0.029 1.00 0.00 H new ATOM 0 HH12 ARG A 72 78.017 -1.237 1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 72 77.114 2.081 1.042 1.00 0.00 H new ATOM 0 HH22 ARG A 72 77.387 0.850 2.279 1.00 0.00 H new ATOM 1168 N LEU A 73 76.456 6.003 0.768 1.00 0.00 N ATOM 1169 CA LEU A 73 76.867 7.400 0.872 1.00 0.00 C ATOM 1170 C LEU A 73 78.389 7.511 0.891 1.00 0.00 C ATOM 1171 O LEU A 73 79.050 6.945 1.761 1.00 0.00 O ATOM 1172 CB LEU A 73 76.295 8.019 2.150 1.00 0.00 C ATOM 1173 CG LEU A 73 74.783 8.208 1.999 1.00 0.00 C ATOM 1174 CD1 LEU A 73 74.074 7.653 3.235 1.00 0.00 C ATOM 1175 CD2 LEU A 73 74.469 9.699 1.859 1.00 0.00 C ATOM 0 H LEU A 73 76.953 5.366 1.391 1.00 0.00 H new ATOM 0 HA LEU A 73 76.484 7.937 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 73 76.507 7.376 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 73 76.773 8.978 2.347 1.00 0.00 H new ATOM 0 HG LEU A 73 74.437 7.677 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 73 72.998 7.787 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 73 74.299 6.591 3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 73 74.420 8.184 4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 73 73.393 9.836 1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 73 74.815 10.229 2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 73 74.975 10.096 0.979 1.00 0.00 H new ATOM 1187 N ARG A 74 78.935 8.241 -0.075 1.00 0.00 N ATOM 1188 CA ARG A 74 80.381 8.419 -0.159 1.00 0.00 C ATOM 1189 C ARG A 74 80.899 9.178 1.057 1.00 0.00 C ATOM 1190 O ARG A 74 80.198 10.017 1.622 1.00 0.00 O ATOM 1191 CB ARG A 74 80.740 9.184 -1.434 1.00 0.00 C ATOM 1192 CG ARG A 74 79.898 10.459 -1.519 1.00 0.00 C ATOM 1193 CD ARG A 74 80.817 11.667 -1.703 1.00 0.00 C ATOM 1194 NE ARG A 74 80.028 12.868 -1.951 1.00 0.00 N ATOM 1195 CZ ARG A 74 79.431 13.516 -0.955 1.00 0.00 C ATOM 1196 NH1 ARG A 74 78.728 14.587 -1.203 1.00 0.00 N ATOM 1197 NH2 ARG A 74 79.550 13.081 0.270 1.00 0.00 N ATOM 0 H ARG A 74 78.404 8.716 -0.805 1.00 0.00 H new ATOM 0 HA ARG A 74 80.849 7.435 -0.184 1.00 0.00 H new ATOM 0 HB2 ARG A 74 81.801 9.435 -1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 74 80.561 8.558 -2.309 1.00 0.00 H new ATOM 0 HG2 ARG A 74 79.199 10.391 -2.352 1.00 0.00 H new ATOM 0 HG3 ARG A 74 79.304 10.576 -0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 74 81.431 11.804 -0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 74 81.497 11.492 -2.536 1.00 0.00 H new ATOM 0 HE ARG A 74 79.932 13.217 -2.905 1.00 0.00 H new ATOM 0 HH11 ARG A 74 78.637 14.927 -2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 74 78.270 15.084 -0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 74 80.101 12.244 0.463 1.00 0.00 H new ATOM 0 HH22 ARG A 74 79.092 13.578 1.034 1.00 0.00 H new ATOM 1211 N GLY A 75 82.133 8.879 1.455 1.00 0.00 N ATOM 1212 CA GLY A 75 82.735 9.540 2.605 1.00 0.00 C ATOM 1213 C GLY A 75 82.717 8.628 3.828 1.00 0.00 C ATOM 1214 O GLY A 75 82.851 7.411 3.708 1.00 0.00 O ATOM 0 H GLY A 75 82.730 8.188 1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 75 83.762 9.822 2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 75 82.194 10.461 2.825 1.00 0.00 H new ATOM 1218 N GLY A 76 82.552 9.226 5.003 1.00 0.00 N ATOM 1219 CA GLY A 76 82.519 8.457 6.242 1.00 0.00 C ATOM 1220 C GLY A 76 81.204 7.698 6.376 1.00 0.00 C ATOM 1221 O GLY A 76 80.947 6.845 5.544 1.00 0.00 O ATOM 1222 OXT GLY A 76 80.471 7.983 7.310 1.00 0.00 O ATOM 0 H GLY A 76 82.440 10.233 5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 76 83.352 7.755 6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 76 82.646 9.126 7.093 1.00 0.00 H new TER 1226 GLY A 76