USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 27 GLN : amide:sc= -0.0144 K(o=-0.014,f=-0.72) USER MOD Set 2.1: A 13 CYS SG : rot -120:sc= -2.99! USER MOD Set 2.2: A 31 ASN : amide:sc= -0.238 K(o=-3.2,f=-5.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc=-0.00246 K(o=-0.0025,f=-0.83) USER MOD Single : A 15 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.143) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.00335 X(o=0.0034,f=-0.0046) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 45:sc= 0.519 USER MOD Single : A 58 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.22) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.575 11.064 12.784 1.00 0.00 N ATOM 2 CA MET A 1 -11.517 11.880 13.417 1.00 0.00 C ATOM 3 C MET A 1 -10.598 12.465 12.352 1.00 0.00 C ATOM 4 O MET A 1 -9.582 11.864 11.996 1.00 0.00 O ATOM 5 CB MET A 1 -10.714 11.029 14.406 1.00 0.00 C ATOM 6 CG MET A 1 -9.603 11.788 15.115 1.00 0.00 C ATOM 7 SD MET A 1 -8.690 10.752 16.273 1.00 0.00 S ATOM 8 CE MET A 1 -7.388 11.876 16.771 1.00 0.00 C ATOM 0 H1 MET A 1 -13.196 10.670 13.519 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.135 11.660 12.141 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.140 10.288 12.246 1.00 0.00 H new ATOM 0 HA MET A 1 -11.984 12.700 13.963 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.394 10.619 15.153 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.279 10.183 13.873 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.914 12.193 14.374 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.031 12.636 15.650 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.735 11.381 17.490 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.808 12.171 15.897 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.828 12.762 17.230 1.00 0.00 H new ATOM 20 N SER A 2 -10.993 13.627 11.829 1.00 0.00 N ATOM 21 CA SER A 2 -10.251 14.325 10.776 1.00 0.00 C ATOM 22 C SER A 2 -10.085 13.455 9.521 1.00 0.00 C ATOM 23 O SER A 2 -10.632 12.349 9.445 1.00 0.00 O ATOM 24 CB SER A 2 -8.887 14.775 11.306 1.00 0.00 C ATOM 25 OG SER A 2 -9.038 15.615 12.442 1.00 0.00 O ATOM 0 H SER A 2 -11.840 14.113 12.125 1.00 0.00 H new ATOM 0 HA SER A 2 -10.828 15.203 10.485 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.289 13.903 11.570 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.346 15.308 10.524 1.00 0.00 H new ATOM 0 HG SER A 2 -8.155 15.890 12.766 1.00 0.00 H new ATOM 31 N LEU A 3 -9.353 13.978 8.529 1.00 0.00 N ATOM 32 CA LEU A 3 -9.066 13.251 7.291 1.00 0.00 C ATOM 33 C LEU A 3 -10.348 12.862 6.563 1.00 0.00 C ATOM 34 O LEU A 3 -11.441 13.342 6.877 1.00 0.00 O ATOM 35 CB LEU A 3 -8.215 11.996 7.567 1.00 0.00 C ATOM 36 CG LEU A 3 -6.733 12.243 7.890 1.00 0.00 C ATOM 37 CD1 LEU A 3 -6.554 12.861 9.270 1.00 0.00 C ATOM 38 CD2 LEU A 3 -5.947 10.944 7.787 1.00 0.00 C ATOM 0 H LEU A 3 -8.946 14.913 8.564 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.497 13.923 6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.662 11.454 8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.272 11.344 6.696 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.348 12.952 7.157 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.493 13.021 9.462 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.078 13.816 9.312 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.963 12.189 10.025 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.899 11.134 8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.349 10.218 8.494 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.029 10.548 6.775 1.00 0.00 H new ATOM 50 N ASP A 4 -10.197 12.017 5.561 1.00 0.00 N ATOM 51 CA ASP A 4 -11.335 11.467 4.845 1.00 0.00 C ATOM 52 C ASP A 4 -11.278 9.943 4.882 1.00 0.00 C ATOM 53 O ASP A 4 -10.683 9.313 4.005 1.00 0.00 O ATOM 54 CB ASP A 4 -11.371 11.961 3.398 1.00 0.00 C ATOM 55 CG ASP A 4 -12.680 11.617 2.714 1.00 0.00 C ATOM 56 OD1 ASP A 4 -12.953 10.417 2.504 1.00 0.00 O ATOM 57 OD2 ASP A 4 -13.441 12.550 2.374 1.00 0.00 O ATOM 0 H ASP A 4 -9.291 11.694 5.222 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.247 11.807 5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.225 13.041 3.380 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.544 11.518 2.843 1.00 0.00 H new ATOM 62 N PRO A 5 -11.854 9.334 5.932 1.00 0.00 N ATOM 63 CA PRO A 5 -11.840 7.878 6.122 1.00 0.00 C ATOM 64 C PRO A 5 -12.662 7.135 5.070 1.00 0.00 C ATOM 65 O PRO A 5 -12.678 5.905 5.036 1.00 0.00 O ATOM 66 CB PRO A 5 -12.454 7.681 7.516 1.00 0.00 C ATOM 67 CG PRO A 5 -12.448 9.030 8.151 1.00 0.00 C ATOM 68 CD PRO A 5 -12.565 10.012 7.024 1.00 0.00 C ATOM 0 HA PRO A 5 -10.831 7.477 6.026 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -13.467 7.285 7.446 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -11.874 6.969 8.103 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -13.277 9.137 8.850 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.531 9.192 8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -13.605 10.212 6.767 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.108 10.970 7.272 1.00 0.00 H new ATOM 76 N GLN A 6 -13.334 7.883 4.204 1.00 0.00 N ATOM 77 CA GLN A 6 -14.153 7.290 3.161 1.00 0.00 C ATOM 78 C GLN A 6 -13.302 6.983 1.933 1.00 0.00 C ATOM 79 O GLN A 6 -13.407 5.909 1.342 1.00 0.00 O ATOM 80 CB GLN A 6 -15.301 8.230 2.793 1.00 0.00 C ATOM 81 CG GLN A 6 -16.230 7.677 1.725 1.00 0.00 C ATOM 82 CD GLN A 6 -17.407 8.591 1.458 1.00 0.00 C ATOM 83 OE1 GLN A 6 -17.874 9.295 2.352 1.00 0.00 O ATOM 84 NE2 GLN A 6 -17.899 8.585 0.229 1.00 0.00 N ATOM 0 H GLN A 6 -13.326 8.903 4.206 1.00 0.00 H new ATOM 0 HA GLN A 6 -14.574 6.356 3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.882 8.447 3.689 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.886 9.176 2.446 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.671 7.529 0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.596 6.699 2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.483 7.986 -0.484 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -18.694 9.179 -0.005 1.00 0.00 H new ATOM 93 N LEU A 7 -12.453 7.931 1.558 1.00 0.00 N ATOM 94 CA LEU A 7 -11.543 7.745 0.433 1.00 0.00 C ATOM 95 C LEU A 7 -10.373 6.852 0.830 1.00 0.00 C ATOM 96 O LEU A 7 -9.665 6.320 -0.026 1.00 0.00 O ATOM 97 CB LEU A 7 -11.017 9.094 -0.059 1.00 0.00 C ATOM 98 CG LEU A 7 -12.077 10.042 -0.631 1.00 0.00 C ATOM 99 CD1 LEU A 7 -11.447 11.367 -1.022 1.00 0.00 C ATOM 100 CD2 LEU A 7 -12.774 9.410 -1.828 1.00 0.00 C ATOM 0 H LEU A 7 -12.375 8.839 2.017 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.097 7.264 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.516 9.594 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.263 8.914 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 7 -12.824 10.227 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.213 12.029 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.996 11.828 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.680 11.196 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -13.522 10.099 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -12.040 9.193 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -13.259 8.484 -1.519 1.00 0.00 H new ATOM 112 N LEU A 8 -10.171 6.711 2.133 1.00 0.00 N ATOM 113 CA LEU A 8 -9.107 5.864 2.658 1.00 0.00 C ATOM 114 C LEU A 8 -9.631 4.468 2.979 1.00 0.00 C ATOM 115 O LEU A 8 -8.873 3.496 2.946 1.00 0.00 O ATOM 116 CB LEU A 8 -8.490 6.488 3.918 1.00 0.00 C ATOM 117 CG LEU A 8 -7.838 7.856 3.716 1.00 0.00 C ATOM 118 CD1 LEU A 8 -7.324 8.394 5.041 1.00 0.00 C ATOM 119 CD2 LEU A 8 -6.705 7.768 2.702 1.00 0.00 C ATOM 0 H LEU A 8 -10.732 7.174 2.849 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.338 5.781 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.268 6.583 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.742 5.802 4.314 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.590 8.543 3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.862 9.369 4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.155 8.495 5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.586 7.705 5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.255 8.752 2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.950 7.068 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.098 7.421 1.746 1.00 0.00 H new ATOM 131 N GLU A 9 -10.928 4.386 3.301 1.00 0.00 N ATOM 132 CA GLU A 9 -11.576 3.118 3.643 1.00 0.00 C ATOM 133 C GLU A 9 -10.952 2.491 4.888 1.00 0.00 C ATOM 134 O GLU A 9 -10.109 3.098 5.554 1.00 0.00 O ATOM 135 CB GLU A 9 -11.505 2.141 2.458 1.00 0.00 C ATOM 136 CG GLU A 9 -12.472 2.476 1.335 1.00 0.00 C ATOM 137 CD GLU A 9 -13.898 2.088 1.669 1.00 0.00 C ATOM 138 OE1 GLU A 9 -14.403 2.500 2.733 1.00 0.00 O ATOM 139 OE2 GLU A 9 -14.515 1.338 0.885 1.00 0.00 O ATOM 0 H GLU A 9 -11.552 5.192 3.331 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.623 3.328 3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.489 2.136 2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.712 1.133 2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.428 3.545 1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.161 1.962 0.426 1.00 0.00 H new ATOM 146 N VAL A 10 -11.408 1.296 5.228 1.00 0.00 N ATOM 147 CA VAL A 10 -10.777 0.511 6.276 1.00 0.00 C ATOM 148 C VAL A 10 -10.045 -0.663 5.637 1.00 0.00 C ATOM 149 O VAL A 10 -10.638 -1.709 5.365 1.00 0.00 O ATOM 150 CB VAL A 10 -11.799 -0.015 7.312 1.00 0.00 C ATOM 151 CG1 VAL A 10 -11.087 -0.704 8.469 1.00 0.00 C ATOM 152 CG2 VAL A 10 -12.684 1.111 7.821 1.00 0.00 C ATOM 0 H VAL A 10 -12.214 0.848 4.792 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.081 1.158 6.810 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.435 -0.748 6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.824 -1.066 9.186 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.506 -1.545 8.090 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.421 0.005 8.960 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.394 0.716 8.548 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.066 1.874 8.295 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.228 1.552 6.986 1.00 0.00 H new ATOM 162 N LEU A 11 -8.764 -0.473 5.372 1.00 0.00 N ATOM 163 CA LEU A 11 -7.980 -1.465 4.657 1.00 0.00 C ATOM 164 C LEU A 11 -7.429 -2.518 5.608 1.00 0.00 C ATOM 165 O LEU A 11 -6.554 -2.233 6.429 1.00 0.00 O ATOM 166 CB LEU A 11 -6.840 -0.788 3.895 1.00 0.00 C ATOM 167 CG LEU A 11 -7.287 0.245 2.857 1.00 0.00 C ATOM 168 CD1 LEU A 11 -6.085 0.934 2.237 1.00 0.00 C ATOM 169 CD2 LEU A 11 -8.130 -0.412 1.775 1.00 0.00 C ATOM 0 H LEU A 11 -8.244 0.362 5.642 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.635 -1.965 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.181 -0.299 4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.251 -1.556 3.393 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.895 0.994 3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.423 1.664 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.514 1.440 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.453 0.193 1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.438 0.339 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.544 -1.183 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.014 -0.863 2.226 1.00 0.00 H new ATOM 181 N ALA A 12 -7.967 -3.723 5.507 1.00 0.00 N ATOM 182 CA ALA A 12 -7.487 -4.851 6.286 1.00 0.00 C ATOM 183 C ALA A 12 -7.078 -5.982 5.352 1.00 0.00 C ATOM 184 O ALA A 12 -7.642 -6.129 4.267 1.00 0.00 O ATOM 185 CB ALA A 12 -8.554 -5.326 7.268 1.00 0.00 C ATOM 0 H ALA A 12 -8.745 -3.945 4.886 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.618 -4.534 6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.172 -6.171 7.840 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.810 -4.514 7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.444 -5.633 6.718 1.00 0.00 H new ATOM 191 N CYS A 13 -6.093 -6.767 5.768 1.00 0.00 N ATOM 192 CA CYS A 13 -5.601 -7.868 4.955 1.00 0.00 C ATOM 193 C CYS A 13 -6.661 -8.954 4.815 1.00 0.00 C ATOM 194 O CYS A 13 -7.303 -9.330 5.790 1.00 0.00 O ATOM 195 CB CYS A 13 -4.310 -8.432 5.555 1.00 0.00 C ATOM 196 SG CYS A 13 -4.353 -8.643 7.348 1.00 0.00 S ATOM 0 H CYS A 13 -5.619 -6.660 6.665 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.379 -7.491 3.956 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.099 -9.396 5.093 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.484 -7.768 5.299 1.00 0.00 H new ATOM 0 HG CYS A 13 -3.416 -7.925 7.892 1.00 0.00 H new ATOM 202 N PRO A 14 -6.852 -9.472 3.592 1.00 0.00 N ATOM 203 CA PRO A 14 -7.909 -10.448 3.295 1.00 0.00 C ATOM 204 C PRO A 14 -7.714 -11.783 4.010 1.00 0.00 C ATOM 205 O PRO A 14 -8.675 -12.508 4.255 1.00 0.00 O ATOM 206 CB PRO A 14 -7.805 -10.643 1.781 1.00 0.00 C ATOM 207 CG PRO A 14 -6.414 -10.235 1.437 1.00 0.00 C ATOM 208 CD PRO A 14 -6.060 -9.139 2.397 1.00 0.00 C ATOM 0 HA PRO A 14 -8.881 -10.090 3.634 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.993 -11.680 1.502 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.538 -10.033 1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.726 -11.075 1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.352 -9.887 0.406 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.992 -9.122 2.613 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.321 -8.157 2.002 1.00 0.00 H new ATOM 216 N LYS A 15 -6.470 -12.108 4.334 1.00 0.00 N ATOM 217 CA LYS A 15 -6.164 -13.373 4.987 1.00 0.00 C ATOM 218 C LYS A 15 -6.192 -13.242 6.509 1.00 0.00 C ATOM 219 O LYS A 15 -6.935 -13.945 7.186 1.00 0.00 O ATOM 220 CB LYS A 15 -4.794 -13.894 4.533 1.00 0.00 C ATOM 221 CG LYS A 15 -4.285 -15.054 5.370 1.00 0.00 C ATOM 222 CD LYS A 15 -2.980 -15.612 4.834 1.00 0.00 C ATOM 223 CE LYS A 15 -2.312 -16.520 5.854 1.00 0.00 C ATOM 224 NZ LYS A 15 -3.241 -17.561 6.377 1.00 0.00 N ATOM 0 H LYS A 15 -5.659 -11.515 4.156 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.935 -14.086 4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.859 -14.208 3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.071 -13.079 4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.143 -14.724 6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.036 -15.844 5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.169 -16.168 3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.309 -14.792 4.578 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.448 -17.003 5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.939 -15.919 6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.697 -18.292 6.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.919 -17.123 7.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.757 -17.995 5.585 1.00 0.00 H new ATOM 238 N ASP A 16 -5.386 -12.333 7.034 1.00 0.00 N ATOM 239 CA ASP A 16 -5.199 -12.208 8.477 1.00 0.00 C ATOM 240 C ASP A 16 -6.282 -11.338 9.112 1.00 0.00 C ATOM 241 O ASP A 16 -6.612 -11.503 10.287 1.00 0.00 O ATOM 242 CB ASP A 16 -3.802 -11.640 8.751 1.00 0.00 C ATOM 243 CG ASP A 16 -3.534 -11.361 10.216 1.00 0.00 C ATOM 244 OD1 ASP A 16 -3.842 -12.223 11.062 1.00 0.00 O ATOM 245 OD2 ASP A 16 -2.985 -10.283 10.520 1.00 0.00 O ATOM 0 H ASP A 16 -4.847 -11.666 6.482 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.285 -13.195 8.932 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.055 -12.343 8.382 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.678 -10.716 8.186 1.00 0.00 H new ATOM 250 N LYS A 17 -6.834 -10.417 8.318 1.00 0.00 N ATOM 251 CA LYS A 17 -7.890 -9.501 8.763 1.00 0.00 C ATOM 252 C LYS A 17 -7.363 -8.558 9.845 1.00 0.00 C ATOM 253 O LYS A 17 -8.135 -7.929 10.575 1.00 0.00 O ATOM 254 CB LYS A 17 -9.106 -10.281 9.282 1.00 0.00 C ATOM 255 CG LYS A 17 -10.433 -9.560 9.080 1.00 0.00 C ATOM 256 CD LYS A 17 -10.818 -9.502 7.605 1.00 0.00 C ATOM 257 CE LYS A 17 -12.181 -8.856 7.403 1.00 0.00 C ATOM 258 NZ LYS A 17 -12.644 -8.952 5.992 1.00 0.00 N ATOM 0 H LYS A 17 -6.561 -10.284 7.344 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.204 -8.906 7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.148 -11.247 8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.970 -10.481 10.345 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.215 -10.071 9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.363 -8.548 9.479 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.064 -8.940 7.054 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.829 -10.511 7.192 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.909 -9.336 8.056 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.132 -7.808 7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.576 -8.499 5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.963 -8.471 5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.717 -9.953 5.718 1.00 0.00 H new ATOM 272 N GLY A 18 -6.043 -8.455 9.928 1.00 0.00 N ATOM 273 CA GLY A 18 -5.417 -7.601 10.916 1.00 0.00 C ATOM 274 C GLY A 18 -5.116 -6.220 10.369 1.00 0.00 C ATOM 275 O GLY A 18 -5.340 -5.961 9.181 1.00 0.00 O ATOM 0 H GLY A 18 -5.390 -8.953 9.322 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.071 -7.512 11.784 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.492 -8.063 11.260 1.00 0.00 H new ATOM 279 N PRO A 19 -4.599 -5.314 11.214 1.00 0.00 N ATOM 280 CA PRO A 19 -4.317 -3.929 10.824 1.00 0.00 C ATOM 281 C PRO A 19 -3.201 -3.826 9.790 1.00 0.00 C ATOM 282 O PRO A 19 -2.198 -4.544 9.860 1.00 0.00 O ATOM 283 CB PRO A 19 -3.888 -3.265 12.139 1.00 0.00 C ATOM 284 CG PRO A 19 -3.402 -4.385 12.990 1.00 0.00 C ATOM 285 CD PRO A 19 -4.237 -5.577 12.618 1.00 0.00 C ATOM 0 HA PRO A 19 -5.182 -3.460 10.354 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.104 -2.526 11.972 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.722 -2.744 12.609 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.344 -4.579 12.814 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.510 -4.147 14.048 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.678 -6.507 12.722 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.120 -5.663 13.252 1.00 0.00 H new ATOM 293 N LEU A 20 -3.376 -2.925 8.838 1.00 0.00 N ATOM 294 CA LEU A 20 -2.376 -2.695 7.811 1.00 0.00 C ATOM 295 C LEU A 20 -1.721 -1.337 8.003 1.00 0.00 C ATOM 296 O LEU A 20 -2.387 -0.357 8.346 1.00 0.00 O ATOM 297 CB LEU A 20 -3.002 -2.773 6.417 1.00 0.00 C ATOM 298 CG LEU A 20 -3.535 -4.152 6.020 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.160 -4.102 4.637 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.420 -5.186 6.057 1.00 0.00 C ATOM 0 H LEU A 20 -4.206 -2.338 8.756 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.618 -3.473 7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.820 -2.055 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.257 -2.464 5.684 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.302 -4.443 6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.534 -5.091 4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.985 -3.390 4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.410 -3.790 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.818 -6.160 5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.633 -4.897 5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.010 -5.243 7.065 1.00 0.00 H new ATOM 312 N ARG A 21 -0.415 -1.292 7.814 1.00 0.00 N ATOM 313 CA ARG A 21 0.319 -0.040 7.846 1.00 0.00 C ATOM 314 C ARG A 21 0.359 0.546 6.447 1.00 0.00 C ATOM 315 O ARG A 21 0.806 -0.112 5.503 1.00 0.00 O ATOM 316 CB ARG A 21 1.745 -0.254 8.366 1.00 0.00 C ATOM 317 CG ARG A 21 2.525 1.040 8.564 1.00 0.00 C ATOM 318 CD ARG A 21 3.955 0.776 9.018 1.00 0.00 C ATOM 319 NE ARG A 21 4.000 -0.059 10.217 1.00 0.00 N ATOM 320 CZ ARG A 21 5.119 -0.545 10.758 1.00 0.00 C ATOM 321 NH1 ARG A 21 6.306 -0.201 10.267 1.00 0.00 N ATOM 322 NH2 ARG A 21 5.047 -1.360 11.802 1.00 0.00 N ATOM 0 H ARG A 21 0.162 -2.114 7.636 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.186 0.649 8.523 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.700 -0.790 9.314 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.286 -0.891 7.666 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.538 1.603 7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.018 1.660 9.303 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.507 0.288 8.215 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.454 1.724 9.217 1.00 0.00 H new ATOM 0 HE ARG A 21 3.115 -0.286 10.671 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.364 0.437 9.473 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.158 -0.575 10.684 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.138 -1.614 12.189 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.901 -1.733 12.218 1.00 0.00 H new ATOM 336 N TYR A 22 -0.104 1.775 6.313 1.00 0.00 N ATOM 337 CA TYR A 22 -0.143 2.425 5.020 1.00 0.00 C ATOM 338 C TYR A 22 1.195 3.095 4.747 1.00 0.00 C ATOM 339 O TYR A 22 1.552 4.078 5.394 1.00 0.00 O ATOM 340 CB TYR A 22 -1.277 3.455 4.968 1.00 0.00 C ATOM 341 CG TYR A 22 -1.537 4.015 3.582 1.00 0.00 C ATOM 342 CD1 TYR A 22 -0.745 5.027 3.056 1.00 0.00 C ATOM 343 CD2 TYR A 22 -2.575 3.525 2.801 1.00 0.00 C ATOM 344 CE1 TYR A 22 -0.981 5.535 1.793 1.00 0.00 C ATOM 345 CE2 TYR A 22 -2.815 4.027 1.537 1.00 0.00 C ATOM 346 CZ TYR A 22 -2.017 5.032 1.038 1.00 0.00 C ATOM 347 OH TYR A 22 -2.249 5.535 -0.221 1.00 0.00 O ATOM 0 H TYR A 22 -0.458 2.341 7.084 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.331 1.675 4.252 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.192 2.993 5.340 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.039 4.277 5.642 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.069 5.424 3.644 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.205 2.738 3.188 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.356 6.323 1.400 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.626 3.633 0.942 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.015 5.073 -0.622 1.00 0.00 H new ATOM 357 N LEU A 23 1.942 2.540 3.809 1.00 0.00 N ATOM 358 CA LEU A 23 3.204 3.117 3.398 1.00 0.00 C ATOM 359 C LEU A 23 2.929 4.169 2.332 1.00 0.00 C ATOM 360 O LEU A 23 2.797 3.848 1.150 1.00 0.00 O ATOM 361 CB LEU A 23 4.131 2.016 2.863 1.00 0.00 C ATOM 362 CG LEU A 23 5.628 2.225 3.104 1.00 0.00 C ATOM 363 CD1 LEU A 23 6.161 3.395 2.297 1.00 0.00 C ATOM 364 CD2 LEU A 23 5.899 2.434 4.584 1.00 0.00 C ATOM 0 H LEU A 23 1.691 1.683 3.316 1.00 0.00 H new ATOM 0 HA LEU A 23 3.702 3.588 4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.839 1.069 3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.966 1.919 1.790 1.00 0.00 H new ATOM 0 HG LEU A 23 6.150 1.327 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.227 3.516 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.005 3.206 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.634 4.305 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.968 2.581 4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.356 3.313 4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.568 1.558 5.142 1.00 0.00 H new ATOM 376 N GLU A 24 2.825 5.419 2.765 1.00 0.00 N ATOM 377 CA GLU A 24 2.386 6.513 1.903 1.00 0.00 C ATOM 378 C GLU A 24 3.383 6.771 0.779 1.00 0.00 C ATOM 379 O GLU A 24 3.025 7.294 -0.274 1.00 0.00 O ATOM 380 CB GLU A 24 2.207 7.801 2.719 1.00 0.00 C ATOM 381 CG GLU A 24 1.674 7.585 4.130 1.00 0.00 C ATOM 382 CD GLU A 24 2.782 7.430 5.159 1.00 0.00 C ATOM 383 OE1 GLU A 24 3.532 6.435 5.097 1.00 0.00 O ATOM 384 OE2 GLU A 24 2.919 8.321 6.021 1.00 0.00 O ATOM 0 H GLU A 24 3.041 5.704 3.720 1.00 0.00 H new ATOM 0 HA GLU A 24 1.432 6.218 1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.167 8.313 2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.526 8.463 2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.041 8.428 4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.044 6.696 4.144 1.00 0.00 H new ATOM 391 N SER A 25 4.627 6.392 1.014 1.00 0.00 N ATOM 392 CA SER A 25 5.703 6.689 0.088 1.00 0.00 C ATOM 393 C SER A 25 5.618 5.848 -1.191 1.00 0.00 C ATOM 394 O SER A 25 6.017 6.302 -2.262 1.00 0.00 O ATOM 395 CB SER A 25 7.040 6.474 0.792 1.00 0.00 C ATOM 396 OG SER A 25 7.073 7.166 2.034 1.00 0.00 O ATOM 0 H SER A 25 4.917 5.875 1.844 1.00 0.00 H new ATOM 0 HA SER A 25 5.611 7.730 -0.221 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.201 5.409 0.959 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.852 6.823 0.154 1.00 0.00 H new ATOM 0 HG SER A 25 7.937 7.014 2.470 1.00 0.00 H new ATOM 402 N GLU A 26 5.086 4.631 -1.091 1.00 0.00 N ATOM 403 CA GLU A 26 5.021 3.746 -2.255 1.00 0.00 C ATOM 404 C GLU A 26 3.638 3.125 -2.423 1.00 0.00 C ATOM 405 O GLU A 26 3.456 2.236 -3.262 1.00 0.00 O ATOM 406 CB GLU A 26 6.068 2.632 -2.149 1.00 0.00 C ATOM 407 CG GLU A 26 7.505 3.122 -2.233 1.00 0.00 C ATOM 408 CD GLU A 26 8.509 1.989 -2.192 1.00 0.00 C ATOM 409 OE1 GLU A 26 8.822 1.423 -3.265 1.00 0.00 O ATOM 410 OE2 GLU A 26 8.994 1.663 -1.091 1.00 0.00 O ATOM 0 H GLU A 26 4.700 4.239 -0.232 1.00 0.00 H new ATOM 0 HA GLU A 26 5.229 4.361 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.929 2.106 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.895 1.908 -2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.639 3.688 -3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.701 3.806 -1.407 1.00 0.00 H new ATOM 417 N GLN A 27 2.672 3.604 -1.638 1.00 0.00 N ATOM 418 CA GLN A 27 1.312 3.064 -1.651 1.00 0.00 C ATOM 419 C GLN A 27 1.319 1.563 -1.369 1.00 0.00 C ATOM 420 O GLN A 27 0.923 0.752 -2.212 1.00 0.00 O ATOM 421 CB GLN A 27 0.609 3.356 -2.987 1.00 0.00 C ATOM 422 CG GLN A 27 -0.120 4.694 -3.034 1.00 0.00 C ATOM 423 CD GLN A 27 0.796 5.900 -2.903 1.00 0.00 C ATOM 424 OE1 GLN A 27 1.950 5.885 -3.331 1.00 0.00 O ATOM 425 NE2 GLN A 27 0.277 6.960 -2.307 1.00 0.00 N ATOM 0 H GLN A 27 2.808 4.371 -0.980 1.00 0.00 H new ATOM 0 HA GLN A 27 0.753 3.561 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.349 3.331 -3.787 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.106 2.559 -3.190 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.667 4.766 -3.974 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.859 4.722 -2.233 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.684 6.934 -1.966 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.837 7.804 -2.189 1.00 0.00 H new ATOM 434 N LEU A 28 1.789 1.200 -0.184 1.00 0.00 N ATOM 435 CA LEU A 28 1.882 -0.199 0.210 1.00 0.00 C ATOM 436 C LEU A 28 1.145 -0.428 1.521 1.00 0.00 C ATOM 437 O LEU A 28 1.081 0.458 2.367 1.00 0.00 O ATOM 438 CB LEU A 28 3.347 -0.617 0.373 1.00 0.00 C ATOM 439 CG LEU A 28 4.219 -0.476 -0.877 1.00 0.00 C ATOM 440 CD1 LEU A 28 5.658 -0.846 -0.562 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.685 -1.345 -2.004 1.00 0.00 C ATOM 0 H LEU A 28 2.113 1.858 0.524 1.00 0.00 H new ATOM 0 HA LEU A 28 1.424 -0.802 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.789 -0.021 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.375 -1.657 0.698 1.00 0.00 H new ATOM 0 HG LEU A 28 4.189 0.564 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.266 -0.741 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.042 -0.185 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.700 -1.878 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.319 -1.230 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.685 -2.389 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.667 -1.040 -2.248 1.00 0.00 H new ATOM 453 N LEU A 29 0.586 -1.613 1.678 1.00 0.00 N ATOM 454 CA LEU A 29 -0.067 -1.995 2.920 1.00 0.00 C ATOM 455 C LEU A 29 0.711 -3.125 3.577 1.00 0.00 C ATOM 456 O LEU A 29 0.724 -4.249 3.082 1.00 0.00 O ATOM 457 CB LEU A 29 -1.506 -2.433 2.654 1.00 0.00 C ATOM 458 CG LEU A 29 -2.427 -1.340 2.108 1.00 0.00 C ATOM 459 CD1 LEU A 29 -3.782 -1.923 1.736 1.00 0.00 C ATOM 460 CD2 LEU A 29 -2.585 -0.226 3.132 1.00 0.00 C ATOM 0 H LEU A 29 0.570 -2.334 0.956 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.088 -1.135 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.492 -3.262 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.931 -2.814 3.583 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.977 -0.921 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.425 -1.132 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.651 -2.690 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.243 -2.366 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.243 0.546 2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.017 -0.632 4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.609 0.207 3.352 1.00 0.00 H new ATOM 472 N VAL A 30 1.351 -2.828 4.695 1.00 0.00 N ATOM 473 CA VAL A 30 2.225 -3.794 5.346 1.00 0.00 C ATOM 474 C VAL A 30 1.601 -4.290 6.646 1.00 0.00 C ATOM 475 O VAL A 30 1.107 -3.500 7.445 1.00 0.00 O ATOM 476 CB VAL A 30 3.608 -3.179 5.658 1.00 0.00 C ATOM 477 CG1 VAL A 30 4.559 -4.236 6.199 1.00 0.00 C ATOM 478 CG2 VAL A 30 4.196 -2.511 4.427 1.00 0.00 C ATOM 0 H VAL A 30 1.283 -1.929 5.171 1.00 0.00 H new ATOM 0 HA VAL A 30 2.355 -4.629 4.657 1.00 0.00 H new ATOM 0 HB VAL A 30 3.471 -2.417 6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.526 -3.781 6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.148 -4.660 7.115 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.685 -5.026 5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.169 -2.086 4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.313 -3.249 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.529 -1.718 4.090 1.00 0.00 H new ATOM 488 N ASN A 31 1.606 -5.601 6.838 1.00 0.00 N ATOM 489 CA ASN A 31 1.098 -6.187 8.069 1.00 0.00 C ATOM 490 C ASN A 31 2.217 -6.903 8.805 1.00 0.00 C ATOM 491 O ASN A 31 2.761 -7.898 8.317 1.00 0.00 O ATOM 492 CB ASN A 31 -0.045 -7.165 7.773 1.00 0.00 C ATOM 493 CG ASN A 31 -0.643 -7.770 9.032 1.00 0.00 C ATOM 494 OD1 ASN A 31 -0.563 -7.194 10.115 1.00 0.00 O ATOM 495 ND2 ASN A 31 -1.259 -8.934 8.896 1.00 0.00 N ATOM 0 H ASN A 31 1.955 -6.277 6.159 1.00 0.00 H new ATOM 0 HA ASN A 31 0.712 -5.385 8.698 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.827 -6.646 7.218 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.324 -7.965 7.131 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.687 -9.382 9.706 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.306 -9.383 7.981 1.00 0.00 H new ATOM 502 N GLU A 32 2.545 -6.401 9.986 1.00 0.00 N ATOM 503 CA GLU A 32 3.626 -6.954 10.795 1.00 0.00 C ATOM 504 C GLU A 32 3.307 -8.383 11.222 1.00 0.00 C ATOM 505 O GLU A 32 4.204 -9.176 11.503 1.00 0.00 O ATOM 506 CB GLU A 32 3.874 -6.088 12.036 1.00 0.00 C ATOM 507 CG GLU A 32 4.055 -4.604 11.734 1.00 0.00 C ATOM 508 CD GLU A 32 2.768 -3.806 11.858 1.00 0.00 C ATOM 509 OE1 GLU A 32 1.791 -4.115 11.143 1.00 0.00 O ATOM 510 OE2 GLU A 32 2.724 -2.865 12.682 1.00 0.00 O ATOM 0 H GLU A 32 2.073 -5.603 10.411 1.00 0.00 H new ATOM 0 HA GLU A 32 4.528 -6.962 10.183 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.036 -6.208 12.723 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.763 -6.454 12.550 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.799 -4.190 12.415 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.449 -4.491 10.724 1.00 0.00 H new ATOM 517 N ARG A 33 2.021 -8.705 11.251 1.00 0.00 N ATOM 518 CA ARG A 33 1.554 -10.020 11.675 1.00 0.00 C ATOM 519 C ARG A 33 1.772 -11.081 10.596 1.00 0.00 C ATOM 520 O ARG A 33 1.677 -12.279 10.865 1.00 0.00 O ATOM 521 CB ARG A 33 0.073 -9.942 12.042 1.00 0.00 C ATOM 522 CG ARG A 33 -0.193 -9.170 13.322 1.00 0.00 C ATOM 523 CD ARG A 33 -1.635 -8.702 13.407 1.00 0.00 C ATOM 524 NE ARG A 33 -2.587 -9.756 13.070 1.00 0.00 N ATOM 525 CZ ARG A 33 -3.555 -10.178 13.874 1.00 0.00 C ATOM 526 NH1 ARG A 33 -3.700 -9.651 15.083 1.00 0.00 N ATOM 527 NH2 ARG A 33 -4.383 -11.122 13.458 1.00 0.00 N ATOM 0 H ARG A 33 1.273 -8.065 10.982 1.00 0.00 H new ATOM 0 HA ARG A 33 2.138 -10.318 12.546 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -0.472 -9.472 11.223 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.321 -10.953 12.148 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.036 -9.800 14.181 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.473 -8.308 13.372 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.838 -8.343 14.416 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.780 -7.858 12.733 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.503 -10.198 12.155 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.066 -8.917 15.399 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.446 -9.979 15.696 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.275 -11.520 12.525 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.129 -11.452 14.070 1.00 0.00 H new ATOM 541 N LEU A 34 2.068 -10.644 9.377 1.00 0.00 N ATOM 542 CA LEU A 34 2.284 -11.576 8.275 1.00 0.00 C ATOM 543 C LEU A 34 3.669 -11.411 7.665 1.00 0.00 C ATOM 544 O LEU A 34 4.136 -12.294 6.949 1.00 0.00 O ATOM 545 CB LEU A 34 1.230 -11.377 7.183 1.00 0.00 C ATOM 546 CG LEU A 34 -0.192 -11.794 7.553 1.00 0.00 C ATOM 547 CD1 LEU A 34 -1.135 -11.538 6.388 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.235 -13.259 7.961 1.00 0.00 C ATOM 0 H LEU A 34 2.163 -9.660 9.127 1.00 0.00 H new ATOM 0 HA LEU A 34 2.200 -12.582 8.687 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.219 -10.324 6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.536 -11.939 6.301 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.517 -11.195 8.404 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.145 -11.839 6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.128 -10.476 6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.809 -12.114 5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.257 -13.535 8.220 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.108 -13.878 7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.413 -13.416 8.823 1.00 0.00 H new ATOM 560 N ASN A 35 4.308 -10.267 7.938 1.00 0.00 N ATOM 561 CA ASN A 35 5.604 -9.923 7.340 1.00 0.00 C ATOM 562 C ASN A 35 5.430 -9.736 5.833 1.00 0.00 C ATOM 563 O ASN A 35 6.390 -9.750 5.066 1.00 0.00 O ATOM 564 CB ASN A 35 6.649 -11.014 7.635 1.00 0.00 C ATOM 565 CG ASN A 35 8.079 -10.494 7.700 1.00 0.00 C ATOM 566 OD1 ASN A 35 8.921 -11.062 8.398 1.00 0.00 O ATOM 567 ND2 ASN A 35 8.372 -9.426 6.983 1.00 0.00 N ATOM 0 H ASN A 35 3.945 -9.558 8.575 1.00 0.00 H new ATOM 0 HA ASN A 35 5.964 -8.992 7.779 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.403 -11.493 8.583 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.586 -11.782 6.864 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.319 -9.047 6.996 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.652 -8.979 6.416 1.00 0.00 H new ATOM 574 N LEU A 36 4.183 -9.535 5.427 1.00 0.00 N ATOM 575 CA LEU A 36 3.838 -9.413 4.022 1.00 0.00 C ATOM 576 C LEU A 36 3.228 -8.048 3.742 1.00 0.00 C ATOM 577 O LEU A 36 2.647 -7.420 4.634 1.00 0.00 O ATOM 578 CB LEU A 36 2.844 -10.510 3.618 1.00 0.00 C ATOM 579 CG LEU A 36 3.334 -11.950 3.801 1.00 0.00 C ATOM 580 CD1 LEU A 36 2.226 -12.938 3.479 1.00 0.00 C ATOM 581 CD2 LEU A 36 4.551 -12.217 2.935 1.00 0.00 C ATOM 0 H LEU A 36 3.388 -9.453 6.061 1.00 0.00 H new ATOM 0 HA LEU A 36 4.751 -9.524 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.931 -10.380 4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.578 -10.366 2.571 1.00 0.00 H new ATOM 0 HG LEU A 36 3.620 -12.081 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.594 -13.955 3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.380 -12.766 4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.907 -12.803 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.883 -13.245 3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.293 -12.064 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.353 -11.534 3.214 1.00 0.00 H new ATOM 593 N ALA A 37 3.362 -7.595 2.506 1.00 0.00 N ATOM 594 CA ALA A 37 2.814 -6.318 2.096 1.00 0.00 C ATOM 595 C ALA A 37 1.950 -6.466 0.852 1.00 0.00 C ATOM 596 O ALA A 37 2.264 -7.246 -0.053 1.00 0.00 O ATOM 597 CB ALA A 37 3.930 -5.319 1.844 1.00 0.00 C ATOM 0 H ALA A 37 3.850 -8.099 1.766 1.00 0.00 H new ATOM 0 HA ALA A 37 2.184 -5.947 2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.502 -4.365 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.507 -5.180 2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.583 -5.694 1.056 1.00 0.00 H new ATOM 603 N TYR A 38 0.856 -5.726 0.826 1.00 0.00 N ATOM 604 CA TYR A 38 -0.021 -5.670 -0.327 1.00 0.00 C ATOM 605 C TYR A 38 0.202 -4.352 -1.047 1.00 0.00 C ATOM 606 O TYR A 38 0.402 -3.320 -0.409 1.00 0.00 O ATOM 607 CB TYR A 38 -1.485 -5.782 0.104 1.00 0.00 C ATOM 608 CG TYR A 38 -1.802 -7.043 0.878 1.00 0.00 C ATOM 609 CD1 TYR A 38 -1.664 -7.090 2.260 1.00 0.00 C ATOM 610 CD2 TYR A 38 -2.246 -8.186 0.227 1.00 0.00 C ATOM 611 CE1 TYR A 38 -1.956 -8.240 2.969 1.00 0.00 C ATOM 612 CE2 TYR A 38 -2.543 -9.340 0.930 1.00 0.00 C ATOM 613 CZ TYR A 38 -2.396 -9.361 2.299 1.00 0.00 C ATOM 614 OH TYR A 38 -2.694 -10.509 2.999 1.00 0.00 O ATOM 0 H TYR A 38 0.551 -5.145 1.607 1.00 0.00 H new ATOM 0 HA TYR A 38 0.205 -6.504 -0.992 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.740 -4.918 0.717 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.118 -5.743 -0.782 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.323 -6.213 2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.362 -8.174 -0.847 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.840 -8.260 4.043 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.888 -10.220 0.408 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.991 -11.204 2.376 1.00 0.00 H new ATOM 624 N ARG A 39 0.175 -4.377 -2.365 1.00 0.00 N ATOM 625 CA ARG A 39 0.422 -3.169 -3.133 1.00 0.00 C ATOM 626 C ARG A 39 -0.880 -2.465 -3.472 1.00 0.00 C ATOM 627 O ARG A 39 -1.878 -3.105 -3.799 1.00 0.00 O ATOM 628 CB ARG A 39 1.181 -3.490 -4.422 1.00 0.00 C ATOM 629 CG ARG A 39 2.583 -4.023 -4.195 1.00 0.00 C ATOM 630 CD ARG A 39 3.322 -4.236 -5.506 1.00 0.00 C ATOM 631 NE ARG A 39 2.709 -5.281 -6.326 1.00 0.00 N ATOM 632 CZ ARG A 39 3.363 -6.353 -6.768 1.00 0.00 C ATOM 633 NH1 ARG A 39 4.656 -6.502 -6.502 1.00 0.00 N ATOM 634 NH2 ARG A 39 2.727 -7.270 -7.486 1.00 0.00 N ATOM 0 H ARG A 39 -0.013 -5.210 -2.923 1.00 0.00 H new ATOM 0 HA ARG A 39 1.031 -2.507 -2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.612 -4.224 -4.993 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.240 -2.588 -5.031 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.141 -3.325 -3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.530 -4.965 -3.650 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.340 -3.301 -6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.358 -4.502 -5.297 1.00 0.00 H new ATOM 0 HE ARG A 39 1.724 -5.183 -6.573 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.150 -5.794 -5.958 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.155 -7.324 -6.842 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.736 -7.154 -7.700 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.229 -8.091 -7.824 1.00 0.00 H new ATOM 648 N ILE A 40 -0.868 -1.149 -3.381 1.00 0.00 N ATOM 649 CA ILE A 40 -1.975 -0.345 -3.864 1.00 0.00 C ATOM 650 C ILE A 40 -1.563 0.294 -5.172 1.00 0.00 C ATOM 651 O ILE A 40 -0.668 1.142 -5.200 1.00 0.00 O ATOM 652 CB ILE A 40 -2.379 0.762 -2.864 1.00 0.00 C ATOM 653 CG1 ILE A 40 -2.743 0.149 -1.511 1.00 0.00 C ATOM 654 CG2 ILE A 40 -3.544 1.580 -3.408 1.00 0.00 C ATOM 655 CD1 ILE A 40 -3.088 1.170 -0.452 1.00 0.00 C ATOM 0 H ILE A 40 -0.101 -0.612 -2.976 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.839 -0.997 -3.993 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.528 1.429 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.590 -0.524 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.907 -0.456 -1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.813 2.354 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.253 2.045 -4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.401 0.927 -3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.335 0.659 0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.235 1.828 -0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.944 1.760 -0.780 1.00 0.00 H new ATOM 667 N ASP A 41 -2.195 -0.116 -6.253 1.00 0.00 N ATOM 668 CA ASP A 41 -1.798 0.347 -7.569 1.00 0.00 C ATOM 669 C ASP A 41 -2.785 1.373 -8.088 1.00 0.00 C ATOM 670 O ASP A 41 -3.842 1.021 -8.610 1.00 0.00 O ATOM 671 CB ASP A 41 -1.681 -0.823 -8.550 1.00 0.00 C ATOM 672 CG ASP A 41 -1.068 -0.408 -9.874 1.00 0.00 C ATOM 673 OD1 ASP A 41 0.175 -0.309 -9.949 1.00 0.00 O ATOM 674 OD2 ASP A 41 -1.820 -0.173 -10.841 1.00 0.00 O ATOM 0 H ASP A 41 -2.982 -0.765 -6.248 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.818 0.816 -7.481 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.074 -1.610 -8.102 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.670 -1.245 -8.727 1.00 0.00 H new ATOM 679 N ASP A 42 -2.440 2.638 -7.885 1.00 0.00 N ATOM 680 CA ASP A 42 -3.224 3.770 -8.369 1.00 0.00 C ATOM 681 C ASP A 42 -4.711 3.618 -8.041 1.00 0.00 C ATOM 682 O ASP A 42 -5.532 3.327 -8.912 1.00 0.00 O ATOM 683 CB ASP A 42 -3.015 3.955 -9.872 1.00 0.00 C ATOM 684 CG ASP A 42 -3.658 5.220 -10.399 1.00 0.00 C ATOM 685 OD1 ASP A 42 -3.551 6.271 -9.731 1.00 0.00 O ATOM 686 OD2 ASP A 42 -4.257 5.176 -11.496 1.00 0.00 O ATOM 0 H ASP A 42 -1.600 2.911 -7.375 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.872 4.662 -7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.946 3.979 -10.086 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.427 3.095 -10.401 1.00 0.00 H new ATOM 691 N GLY A 43 -5.036 3.765 -6.765 1.00 0.00 N ATOM 692 CA GLY A 43 -6.420 3.738 -6.332 1.00 0.00 C ATOM 693 C GLY A 43 -6.921 2.341 -6.008 1.00 0.00 C ATOM 694 O GLY A 43 -7.904 2.185 -5.283 1.00 0.00 O ATOM 0 H GLY A 43 -4.359 3.904 -6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.530 4.369 -5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.046 4.169 -7.113 1.00 0.00 H new ATOM 698 N ILE A 44 -6.252 1.322 -6.527 1.00 0.00 N ATOM 699 CA ILE A 44 -6.713 -0.045 -6.348 1.00 0.00 C ATOM 700 C ILE A 44 -5.787 -0.822 -5.421 1.00 0.00 C ATOM 701 O ILE A 44 -4.658 -1.148 -5.787 1.00 0.00 O ATOM 702 CB ILE A 44 -6.830 -0.786 -7.698 1.00 0.00 C ATOM 703 CG1 ILE A 44 -7.763 -0.023 -8.643 1.00 0.00 C ATOM 704 CG2 ILE A 44 -7.331 -2.210 -7.486 1.00 0.00 C ATOM 705 CD1 ILE A 44 -7.924 -0.674 -9.998 1.00 0.00 C ATOM 0 H ILE A 44 -5.394 1.415 -7.071 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.703 0.013 -5.895 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.841 -0.836 -8.153 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.743 0.068 -8.175 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.379 0.988 -8.779 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.407 -2.716 -8.448 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.633 -2.750 -6.846 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.312 -2.184 -7.012 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.599 -0.076 -10.611 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.952 -0.741 -10.487 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.337 -1.675 -9.874 1.00 0.00 H new ATOM 717 N PRO A 45 -6.244 -1.101 -4.192 1.00 0.00 N ATOM 718 CA PRO A 45 -5.502 -1.919 -3.238 1.00 0.00 C ATOM 719 C PRO A 45 -5.578 -3.396 -3.606 1.00 0.00 C ATOM 720 O PRO A 45 -6.637 -4.021 -3.504 1.00 0.00 O ATOM 721 CB PRO A 45 -6.205 -1.664 -1.893 1.00 0.00 C ATOM 722 CG PRO A 45 -7.223 -0.598 -2.156 1.00 0.00 C ATOM 723 CD PRO A 45 -7.517 -0.646 -3.629 1.00 0.00 C ATOM 0 HA PRO A 45 -4.442 -1.665 -3.216 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.679 -2.573 -1.522 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.491 -1.343 -1.134 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.128 -0.773 -1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.843 0.382 -1.868 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.331 -1.334 -3.858 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.806 0.331 -4.017 1.00 0.00 H new ATOM 731 N VAL A 46 -4.459 -3.948 -4.049 1.00 0.00 N ATOM 732 CA VAL A 46 -4.411 -5.340 -4.461 1.00 0.00 C ATOM 733 C VAL A 46 -4.313 -6.246 -3.239 1.00 0.00 C ATOM 734 O VAL A 46 -3.224 -6.655 -2.826 1.00 0.00 O ATOM 735 CB VAL A 46 -3.227 -5.617 -5.415 1.00 0.00 C ATOM 736 CG1 VAL A 46 -3.279 -7.042 -5.946 1.00 0.00 C ATOM 737 CG2 VAL A 46 -3.220 -4.618 -6.564 1.00 0.00 C ATOM 0 H VAL A 46 -3.572 -3.452 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.333 -5.554 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.302 -5.499 -4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.435 -7.212 -6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.228 -7.743 -5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.211 -7.193 -6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.379 -4.829 -7.225 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.151 -4.701 -7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.124 -3.607 -6.167 1.00 0.00 H new ATOM 747 N LEU A 47 -5.456 -6.516 -2.634 1.00 0.00 N ATOM 748 CA LEU A 47 -5.514 -7.376 -1.469 1.00 0.00 C ATOM 749 C LEU A 47 -5.650 -8.832 -1.893 1.00 0.00 C ATOM 750 O LEU A 47 -6.747 -9.390 -1.902 1.00 0.00 O ATOM 751 CB LEU A 47 -6.677 -6.972 -0.554 1.00 0.00 C ATOM 752 CG LEU A 47 -6.609 -5.552 0.011 1.00 0.00 C ATOM 753 CD1 LEU A 47 -7.857 -5.253 0.824 1.00 0.00 C ATOM 754 CD2 LEU A 47 -5.365 -5.376 0.866 1.00 0.00 C ATOM 0 H LEU A 47 -6.360 -6.149 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.585 -7.262 -0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.608 -7.078 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.722 -7.674 0.279 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.555 -4.849 -0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.798 -4.240 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.737 -5.342 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.933 -5.962 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.334 -4.360 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.389 -6.085 1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.478 -5.557 0.259 1.00 0.00 H new ATOM 766 N LEU A 48 -4.530 -9.423 -2.285 1.00 0.00 N ATOM 767 CA LEU A 48 -4.491 -10.820 -2.690 1.00 0.00 C ATOM 768 C LEU A 48 -3.379 -11.542 -1.948 1.00 0.00 C ATOM 769 O LEU A 48 -2.301 -10.986 -1.741 1.00 0.00 O ATOM 770 CB LEU A 48 -4.272 -10.940 -4.203 1.00 0.00 C ATOM 771 CG LEU A 48 -5.401 -10.385 -5.079 1.00 0.00 C ATOM 772 CD1 LEU A 48 -5.010 -10.447 -6.546 1.00 0.00 C ATOM 773 CD2 LEU A 48 -6.690 -11.163 -4.846 1.00 0.00 C ATOM 0 H LEU A 48 -3.627 -8.950 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.448 -11.279 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.348 -10.423 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.128 -11.992 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.569 -9.344 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.821 -10.050 -7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.110 -9.854 -6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.818 -11.482 -6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.480 -10.755 -5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.532 -12.212 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.981 -11.079 -3.799 1.00 0.00 H new ATOM 785 N ILE A 49 -3.641 -12.776 -1.552 1.00 0.00 N ATOM 786 CA ILE A 49 -2.668 -13.560 -0.807 1.00 0.00 C ATOM 787 C ILE A 49 -1.527 -13.984 -1.722 1.00 0.00 C ATOM 788 O ILE A 49 -0.358 -13.956 -1.340 1.00 0.00 O ATOM 789 CB ILE A 49 -3.321 -14.808 -0.180 1.00 0.00 C ATOM 790 CG1 ILE A 49 -4.520 -14.395 0.682 1.00 0.00 C ATOM 791 CG2 ILE A 49 -2.305 -15.590 0.648 1.00 0.00 C ATOM 792 CD1 ILE A 49 -5.310 -15.566 1.219 1.00 0.00 C ATOM 0 H ILE A 49 -4.521 -13.258 -1.734 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.278 -12.935 -0.003 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.674 -15.458 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.165 -13.792 1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.181 -13.762 0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.786 -16.467 1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.481 -15.907 0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.921 -14.955 1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.142 -15.199 1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.695 -16.157 0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.663 -16.188 1.838 1.00 0.00 H new ATOM 804 N ASP A 50 -1.885 -14.344 -2.944 1.00 0.00 N ATOM 805 CA ASP A 50 -0.912 -14.760 -3.950 1.00 0.00 C ATOM 806 C ASP A 50 -0.023 -13.592 -4.369 1.00 0.00 C ATOM 807 O ASP A 50 1.131 -13.779 -4.761 1.00 0.00 O ATOM 808 CB ASP A 50 -1.645 -15.323 -5.173 1.00 0.00 C ATOM 809 CG ASP A 50 -0.707 -15.728 -6.296 1.00 0.00 C ATOM 810 OD1 ASP A 50 -0.145 -16.843 -6.236 1.00 0.00 O ATOM 811 OD2 ASP A 50 -0.544 -14.940 -7.251 1.00 0.00 O ATOM 0 H ASP A 50 -2.852 -14.357 -3.269 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.276 -15.532 -3.517 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.234 -16.189 -4.869 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.346 -14.576 -5.545 1.00 0.00 H new ATOM 816 N GLU A 51 -0.561 -12.383 -4.258 1.00 0.00 N ATOM 817 CA GLU A 51 0.139 -11.186 -4.706 1.00 0.00 C ATOM 818 C GLU A 51 0.931 -10.561 -3.558 1.00 0.00 C ATOM 819 O GLU A 51 1.728 -9.644 -3.764 1.00 0.00 O ATOM 820 CB GLU A 51 -0.870 -10.176 -5.255 1.00 0.00 C ATOM 821 CG GLU A 51 -0.309 -9.268 -6.336 1.00 0.00 C ATOM 822 CD GLU A 51 0.030 -10.023 -7.602 1.00 0.00 C ATOM 823 OE1 GLU A 51 -0.723 -10.952 -7.966 1.00 0.00 O ATOM 824 OE2 GLU A 51 1.029 -9.670 -8.264 1.00 0.00 O ATOM 0 H GLU A 51 -1.483 -12.206 -3.860 1.00 0.00 H new ATOM 0 HA GLU A 51 0.839 -11.465 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.727 -10.716 -5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.237 -9.561 -4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.035 -8.488 -6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.586 -8.771 -5.961 1.00 0.00 H new ATOM 831 N ALA A 52 0.710 -11.065 -2.350 1.00 0.00 N ATOM 832 CA ALA A 52 1.369 -10.533 -1.168 1.00 0.00 C ATOM 833 C ALA A 52 2.857 -10.858 -1.186 1.00 0.00 C ATOM 834 O ALA A 52 3.250 -12.021 -1.286 1.00 0.00 O ATOM 835 CB ALA A 52 0.720 -11.080 0.092 1.00 0.00 C ATOM 0 H ALA A 52 0.077 -11.843 -2.165 1.00 0.00 H new ATOM 0 HA ALA A 52 1.258 -9.449 -1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.225 -10.672 0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.332 -10.794 0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.800 -12.167 0.100 1.00 0.00 H new ATOM 841 N THR A 53 3.676 -9.825 -1.095 1.00 0.00 N ATOM 842 CA THR A 53 5.120 -9.987 -1.116 1.00 0.00 C ATOM 843 C THR A 53 5.692 -9.804 0.289 1.00 0.00 C ATOM 844 O THR A 53 5.104 -9.108 1.115 1.00 0.00 O ATOM 845 CB THR A 53 5.766 -8.967 -2.076 1.00 0.00 C ATOM 846 OG1 THR A 53 5.053 -8.955 -3.322 1.00 0.00 O ATOM 847 CG2 THR A 53 7.229 -9.296 -2.336 1.00 0.00 C ATOM 0 H THR A 53 3.363 -8.858 -1.005 1.00 0.00 H new ATOM 0 HA THR A 53 5.346 -10.994 -1.467 1.00 0.00 H new ATOM 0 HB THR A 53 5.714 -7.985 -1.606 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.465 -8.305 -3.928 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.653 -8.557 -3.016 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.778 -9.280 -1.395 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.305 -10.287 -2.783 1.00 0.00 H new ATOM 855 N GLU A 54 6.826 -10.436 0.561 1.00 0.00 N ATOM 856 CA GLU A 54 7.471 -10.319 1.859 1.00 0.00 C ATOM 857 C GLU A 54 8.175 -8.969 1.966 1.00 0.00 C ATOM 858 O GLU A 54 9.005 -8.618 1.123 1.00 0.00 O ATOM 859 CB GLU A 54 8.455 -11.473 2.071 1.00 0.00 C ATOM 860 CG GLU A 54 9.097 -11.488 3.449 1.00 0.00 C ATOM 861 CD GLU A 54 9.854 -12.770 3.727 1.00 0.00 C ATOM 862 OE1 GLU A 54 11.011 -12.900 3.271 1.00 0.00 O ATOM 863 OE2 GLU A 54 9.295 -13.661 4.406 1.00 0.00 O ATOM 0 H GLU A 54 7.318 -11.035 -0.102 1.00 0.00 H new ATOM 0 HA GLU A 54 6.715 -10.377 2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.933 -12.417 1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.239 -11.413 1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.779 -10.642 3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.325 -11.355 4.207 1.00 0.00 H new ATOM 870 N TRP A 55 7.833 -8.213 2.999 1.00 0.00 N ATOM 871 CA TRP A 55 8.314 -6.848 3.129 1.00 0.00 C ATOM 872 C TRP A 55 8.627 -6.533 4.587 1.00 0.00 C ATOM 873 O TRP A 55 7.997 -7.082 5.490 1.00 0.00 O ATOM 874 CB TRP A 55 7.259 -5.881 2.582 1.00 0.00 C ATOM 875 CG TRP A 55 7.762 -4.487 2.361 1.00 0.00 C ATOM 876 CD1 TRP A 55 7.635 -3.426 3.208 1.00 0.00 C ATOM 877 CD2 TRP A 55 8.465 -4.002 1.213 1.00 0.00 C ATOM 878 NE1 TRP A 55 8.212 -2.310 2.656 1.00 0.00 N ATOM 879 CE2 TRP A 55 8.728 -2.638 1.431 1.00 0.00 C ATOM 880 CE3 TRP A 55 8.894 -4.589 0.016 1.00 0.00 C ATOM 881 CZ2 TRP A 55 9.408 -1.853 0.504 1.00 0.00 C ATOM 882 CZ3 TRP A 55 9.569 -3.809 -0.905 1.00 0.00 C ATOM 883 CH2 TRP A 55 9.816 -2.451 -0.657 1.00 0.00 C ATOM 0 H TRP A 55 7.225 -8.522 3.758 1.00 0.00 H new ATOM 0 HA TRP A 55 9.233 -6.733 2.554 1.00 0.00 H new ATOM 0 HB2 TRP A 55 6.878 -6.272 1.639 1.00 0.00 H new ATOM 0 HB3 TRP A 55 6.419 -5.847 3.276 1.00 0.00 H new ATOM 0 HD1 TRP A 55 7.151 -3.459 4.173 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.250 -1.387 3.088 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.701 -5.633 -0.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 9.607 -0.809 0.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 9.911 -4.252 -1.829 1.00 0.00 H new ATOM 0 HH2 TRP A 55 10.339 -1.865 -1.398 1.00 0.00 H new ATOM 894 N THR A 56 9.604 -5.651 4.794 1.00 0.00 N ATOM 895 CA THR A 56 10.070 -5.284 6.128 1.00 0.00 C ATOM 896 C THR A 56 10.633 -6.495 6.880 1.00 0.00 C ATOM 897 O THR A 56 9.924 -7.179 7.621 1.00 0.00 O ATOM 898 CB THR A 56 8.952 -4.615 6.955 1.00 0.00 C ATOM 899 OG1 THR A 56 8.465 -3.456 6.265 1.00 0.00 O ATOM 900 CG2 THR A 56 9.448 -4.207 8.337 1.00 0.00 C ATOM 0 H THR A 56 10.095 -5.171 4.040 1.00 0.00 H new ATOM 0 HA THR A 56 10.874 -4.561 5.994 1.00 0.00 H new ATOM 0 HB THR A 56 8.149 -5.341 7.080 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.336 -3.670 5.317 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.635 -3.739 8.892 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.794 -5.090 8.875 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.271 -3.500 8.234 1.00 0.00 H new ATOM 908 N PRO A 57 11.919 -6.801 6.663 1.00 0.00 N ATOM 909 CA PRO A 57 12.604 -7.879 7.368 1.00 0.00 C ATOM 910 C PRO A 57 12.939 -7.481 8.806 1.00 0.00 C ATOM 911 O PRO A 57 13.755 -6.585 9.041 1.00 0.00 O ATOM 912 CB PRO A 57 13.887 -8.100 6.548 1.00 0.00 C ATOM 913 CG PRO A 57 13.751 -7.238 5.332 1.00 0.00 C ATOM 914 CD PRO A 57 12.809 -6.135 5.707 1.00 0.00 C ATOM 0 HA PRO A 57 11.992 -8.777 7.448 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.771 -7.826 7.124 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.999 -9.149 6.273 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.718 -6.838 5.028 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.364 -7.811 4.489 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.330 -5.290 6.156 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.266 -5.752 4.843 1.00 0.00 H new ATOM 922 N ASN A 58 12.289 -8.133 9.759 1.00 0.00 N ATOM 923 CA ASN A 58 12.476 -7.815 11.170 1.00 0.00 C ATOM 924 C ASN A 58 13.750 -8.468 11.692 1.00 0.00 C ATOM 925 O ASN A 58 14.284 -9.383 11.065 1.00 0.00 O ATOM 926 CB ASN A 58 11.262 -8.285 11.984 1.00 0.00 C ATOM 927 CG ASN A 58 11.244 -7.723 13.400 1.00 0.00 C ATOM 928 OD1 ASN A 58 10.726 -6.631 13.636 1.00 0.00 O ATOM 929 ND2 ASN A 58 11.791 -8.466 14.351 1.00 0.00 N ATOM 0 H ASN A 58 11.626 -8.887 9.582 1.00 0.00 H new ATOM 0 HA ASN A 58 12.570 -6.734 11.277 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.348 -7.988 11.469 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.262 -9.374 12.031 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.792 -8.138 15.317 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.211 -9.366 14.117 1.00 0.00 H new ATOM 936 N ASN A 59 14.253 -7.973 12.817 1.00 0.00 N ATOM 937 CA ASN A 59 15.434 -8.552 13.452 1.00 0.00 C ATOM 938 C ASN A 59 15.179 -9.986 13.883 1.00 0.00 C ATOM 939 O ASN A 59 14.030 -10.396 14.074 1.00 0.00 O ATOM 940 CB ASN A 59 15.861 -7.731 14.673 1.00 0.00 C ATOM 941 CG ASN A 59 16.754 -6.559 14.317 1.00 0.00 C ATOM 942 OD1 ASN A 59 16.663 -5.990 13.230 1.00 0.00 O ATOM 943 ND2 ASN A 59 17.631 -6.189 15.238 1.00 0.00 N ATOM 0 H ASN A 59 13.861 -7.170 13.310 1.00 0.00 H new ATOM 0 HA ASN A 59 16.234 -8.538 12.712 1.00 0.00 H new ATOM 0 HB2 ASN A 59 14.972 -7.361 15.184 1.00 0.00 H new ATOM 0 HB3 ASN A 59 16.385 -8.380 15.375 1.00 0.00 H new ATOM 0 HD21 ASN A 59 18.261 -5.407 15.058 1.00 0.00 H new ATOM 0 HD22 ASN A 59 17.676 -6.686 16.128 1.00 0.00 H new ATOM 950 N LEU A 60 16.255 -10.743 14.036 1.00 0.00 N ATOM 951 CA LEU A 60 16.165 -12.125 14.469 1.00 0.00 C ATOM 952 C LEU A 60 15.874 -12.194 15.962 1.00 0.00 C ATOM 953 O LEU A 60 16.783 -12.111 16.794 1.00 0.00 O ATOM 954 CB LEU A 60 17.460 -12.878 14.143 1.00 0.00 C ATOM 955 CG LEU A 60 17.816 -12.946 12.655 1.00 0.00 C ATOM 956 CD1 LEU A 60 19.150 -13.643 12.461 1.00 0.00 C ATOM 957 CD2 LEU A 60 16.720 -13.660 11.878 1.00 0.00 C ATOM 0 H LEU A 60 17.207 -10.418 13.865 1.00 0.00 H new ATOM 0 HA LEU A 60 15.345 -12.601 13.931 1.00 0.00 H new ATOM 0 HB2 LEU A 60 18.283 -12.402 14.676 1.00 0.00 H new ATOM 0 HB3 LEU A 60 17.377 -13.895 14.528 1.00 0.00 H new ATOM 0 HG LEU A 60 17.901 -11.929 12.272 1.00 0.00 H new ATOM 0 HD11 LEU A 60 19.388 -13.683 11.398 1.00 0.00 H new ATOM 0 HD12 LEU A 60 19.929 -13.091 12.987 1.00 0.00 H new ATOM 0 HD13 LEU A 60 19.092 -14.656 12.858 1.00 0.00 H new ATOM 0 HD21 LEU A 60 16.989 -13.700 10.822 1.00 0.00 H new ATOM 0 HD22 LEU A 60 16.604 -14.674 12.261 1.00 0.00 H new ATOM 0 HD23 LEU A 60 15.781 -13.119 11.993 1.00 0.00 H new ATOM 969 N GLU A 61 14.596 -12.294 16.295 1.00 0.00 N ATOM 970 CA GLU A 61 14.170 -12.414 17.681 1.00 0.00 C ATOM 971 C GLU A 61 14.421 -13.829 18.175 1.00 0.00 C ATOM 972 O GLU A 61 13.989 -14.799 17.544 1.00 0.00 O ATOM 973 CB GLU A 61 12.685 -12.068 17.822 1.00 0.00 C ATOM 974 CG GLU A 61 12.311 -10.725 17.220 1.00 0.00 C ATOM 975 CD GLU A 61 10.867 -10.351 17.483 1.00 0.00 C ATOM 976 OE1 GLU A 61 9.961 -10.973 16.888 1.00 0.00 O ATOM 977 OE2 GLU A 61 10.630 -9.437 18.295 1.00 0.00 O ATOM 0 H GLU A 61 13.832 -12.294 15.620 1.00 0.00 H new ATOM 0 HA GLU A 61 14.746 -11.713 18.284 1.00 0.00 H new ATOM 0 HB2 GLU A 61 12.092 -12.848 17.344 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.420 -12.069 18.879 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.963 -9.953 17.629 1.00 0.00 H new ATOM 0 HG3 GLU A 61 12.485 -10.752 16.144 1.00 0.00 H new TER 984 GLU A 61