USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 392 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 57:sc= -0.0731 USER MOD Single : A 13 SER OG : rot -78:sc= -0.959 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.4!) USER MOD Single : A 17 MET CE :methyl 140:sc= -10.7! (180deg=-13.6!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 35 THR OG1 : rot -56:sc= -7.86! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.357 K(o=-0.36,f=-1.6) USER MOD Single : A 38 TYR OH : rot 180:sc= -1.34! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.7) USER MOD Single : A 49 TYR OH : rot 137:sc= 0.0204 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -1.33! K(o=-1.3!,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.617 5.135 7.075 1.00 0.00 N ATOM 2 CA GLY A 1 22.789 4.300 7.989 1.00 0.00 C ATOM 3 C GLY A 1 21.985 5.208 8.923 1.00 0.00 C ATOM 4 O GLY A 1 22.503 5.738 9.885 1.00 0.00 O ATOM 0 H1 GLY A 1 24.163 4.518 6.440 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.997 5.751 6.511 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.269 5.720 7.635 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.115 3.668 7.411 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.428 3.636 8.571 1.00 0.00 H new ATOM 10 N SER A 2 20.723 5.391 8.646 1.00 0.00 N ATOM 11 CA SER A 2 19.888 6.265 9.519 1.00 0.00 C ATOM 12 C SER A 2 18.463 6.359 8.970 1.00 0.00 C ATOM 13 O SER A 2 18.154 7.238 8.189 1.00 0.00 O ATOM 14 CB SER A 2 20.568 7.633 9.475 1.00 0.00 C ATOM 15 OG SER A 2 21.087 7.858 8.170 1.00 0.00 O ATOM 0 H SER A 2 20.234 4.974 7.854 1.00 0.00 H new ATOM 0 HA SER A 2 19.811 5.878 10.535 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.855 8.415 9.735 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.371 7.677 10.211 1.00 0.00 H new ATOM 0 HG SER A 2 20.365 7.779 7.513 1.00 0.00 H new ATOM 21 N PRO A 3 17.638 5.444 9.401 1.00 0.00 N ATOM 22 CA PRO A 3 16.225 5.418 8.951 1.00 0.00 C ATOM 23 C PRO A 3 15.440 6.559 9.604 1.00 0.00 C ATOM 24 O PRO A 3 15.199 6.545 10.795 1.00 0.00 O ATOM 25 CB PRO A 3 15.720 4.062 9.437 1.00 0.00 C ATOM 26 CG PRO A 3 16.604 3.709 10.591 1.00 0.00 C ATOM 27 CD PRO A 3 17.941 4.358 10.339 1.00 0.00 C ATOM 0 HA PRO A 3 16.113 5.547 7.874 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.675 4.117 9.743 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.782 3.312 8.648 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.174 4.063 11.528 1.00 0.00 H new ATOM 0 HG3 PRO A 3 16.711 2.628 10.678 1.00 0.00 H new ATOM 0 HD2 PRO A 3 18.380 4.738 11.261 1.00 0.00 H new ATOM 0 HD3 PRO A 3 18.654 3.651 9.914 1.00 0.00 H new ATOM 35 N PRO A 4 15.069 7.515 8.795 1.00 0.00 N ATOM 36 CA PRO A 4 14.305 8.682 9.298 1.00 0.00 C ATOM 37 C PRO A 4 12.867 8.282 9.630 1.00 0.00 C ATOM 38 O PRO A 4 12.117 9.050 10.199 1.00 0.00 O ATOM 39 CB PRO A 4 14.345 9.665 8.130 1.00 0.00 C ATOM 40 CG PRO A 4 14.551 8.815 6.916 1.00 0.00 C ATOM 41 CD PRO A 4 15.324 7.598 7.353 1.00 0.00 C ATOM 0 HA PRO A 4 14.718 9.101 10.216 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.418 10.234 8.061 1.00 0.00 H new ATOM 0 HB3 PRO A 4 15.153 10.386 8.249 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.594 8.528 6.480 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.098 9.364 6.150 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.983 6.701 6.835 1.00 0.00 H new ATOM 0 HD3 PRO A 4 16.388 7.704 7.141 1.00 0.00 H new ATOM 49 N GLU A 5 12.485 7.085 9.282 1.00 0.00 N ATOM 50 CA GLU A 5 11.096 6.620 9.575 1.00 0.00 C ATOM 51 C GLU A 5 10.096 7.757 9.355 1.00 0.00 C ATOM 52 O GLU A 5 9.357 8.129 10.245 1.00 0.00 O ATOM 53 CB GLU A 5 11.121 6.203 11.035 1.00 0.00 C ATOM 54 CG GLU A 5 9.700 5.880 11.502 1.00 0.00 C ATOM 55 CD GLU A 5 9.717 4.594 12.331 1.00 0.00 C ATOM 56 OE1 GLU A 5 10.401 4.573 13.342 1.00 0.00 O ATOM 57 OE2 GLU A 5 9.047 3.652 11.941 1.00 0.00 O ATOM 0 H GLU A 5 13.076 6.404 8.805 1.00 0.00 H new ATOM 0 HA GLU A 5 10.789 5.802 8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.764 5.332 11.164 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.542 7.003 11.645 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.305 6.704 12.097 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.041 5.763 10.642 1.00 0.00 H new ATOM 64 N ALA A 6 10.076 8.321 8.179 1.00 0.00 N ATOM 65 CA ALA A 6 9.133 9.442 7.904 1.00 0.00 C ATOM 66 C ALA A 6 9.064 9.715 6.404 1.00 0.00 C ATOM 67 O ALA A 6 8.760 10.808 5.971 1.00 0.00 O ATOM 68 CB ALA A 6 9.742 10.636 8.622 1.00 0.00 C ATOM 0 H ALA A 6 10.672 8.054 7.396 1.00 0.00 H new ATOM 0 HA ALA A 6 8.119 9.224 8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 6 9.110 11.511 8.473 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.817 10.420 9.688 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.736 10.833 8.221 1.00 0.00 H new ATOM 74 N ASP A 7 9.346 8.727 5.612 1.00 0.00 N ATOM 75 CA ASP A 7 9.300 8.917 4.139 1.00 0.00 C ATOM 76 C ASP A 7 9.524 7.588 3.412 1.00 0.00 C ATOM 77 O ASP A 7 8.684 7.159 2.645 1.00 0.00 O ATOM 78 CB ASP A 7 10.425 9.904 3.826 1.00 0.00 C ATOM 79 CG ASP A 7 9.843 11.139 3.137 1.00 0.00 C ATOM 80 OD1 ASP A 7 9.324 10.993 2.043 1.00 0.00 O ATOM 81 OD2 ASP A 7 9.926 12.210 3.717 1.00 0.00 O ATOM 0 H ASP A 7 9.608 7.791 5.921 1.00 0.00 H new ATOM 0 HA ASP A 7 8.330 9.289 3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.935 10.194 4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.169 9.432 3.183 1.00 0.00 H new ATOM 86 N PRO A 8 10.644 6.969 3.680 1.00 0.00 N ATOM 87 CA PRO A 8 10.960 5.666 3.040 1.00 0.00 C ATOM 88 C PRO A 8 9.996 4.580 3.527 1.00 0.00 C ATOM 89 O PRO A 8 10.039 3.454 3.073 1.00 0.00 O ATOM 90 CB PRO A 8 12.393 5.383 3.491 1.00 0.00 C ATOM 91 CG PRO A 8 12.554 6.167 4.751 1.00 0.00 C ATOM 92 CD PRO A 8 11.714 7.405 4.588 1.00 0.00 C ATOM 0 HA PRO A 8 10.861 5.684 1.955 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.551 4.318 3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.115 5.694 2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.228 5.587 5.614 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.600 6.426 4.917 1.00 0.00 H new ATOM 0 HD2 PRO A 8 11.316 7.750 5.542 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.289 8.229 4.166 1.00 0.00 H new ATOM 100 N ARG A 9 9.112 4.908 4.433 1.00 0.00 N ATOM 101 CA ARG A 9 8.147 3.904 4.921 1.00 0.00 C ATOM 102 C ARG A 9 7.185 3.538 3.793 1.00 0.00 C ATOM 103 O ARG A 9 6.484 2.547 3.850 1.00 0.00 O ATOM 104 CB ARG A 9 7.427 4.615 6.061 1.00 0.00 C ATOM 105 CG ARG A 9 6.868 5.945 5.560 1.00 0.00 C ATOM 106 CD ARG A 9 7.306 7.072 6.498 1.00 0.00 C ATOM 107 NE ARG A 9 6.286 7.088 7.582 1.00 0.00 N ATOM 108 CZ ARG A 9 5.990 8.208 8.182 1.00 0.00 C ATOM 109 NH1 ARG A 9 5.514 9.211 7.495 1.00 0.00 N ATOM 110 NH2 ARG A 9 6.170 8.326 9.470 1.00 0.00 N ATOM 0 H ARG A 9 9.024 5.834 4.852 1.00 0.00 H new ATOM 0 HA ARG A 9 8.607 2.973 5.251 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.620 3.989 6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.115 4.786 6.889 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.222 6.142 4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.780 5.899 5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.304 6.888 6.897 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.343 8.028 5.976 1.00 0.00 H new ATOM 0 HE ARG A 9 5.819 6.224 7.856 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.373 9.119 6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.283 10.087 7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.542 7.543 10.007 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.939 9.202 9.939 1.00 0.00 H new ATOM 124 N LEU A 10 7.172 4.325 2.755 1.00 0.00 N ATOM 125 CA LEU A 10 6.285 4.026 1.598 1.00 0.00 C ATOM 126 C LEU A 10 6.815 2.788 0.886 1.00 0.00 C ATOM 127 O LEU A 10 6.100 1.836 0.647 1.00 0.00 O ATOM 128 CB LEU A 10 6.388 5.250 0.686 1.00 0.00 C ATOM 129 CG LEU A 10 5.934 4.885 -0.729 1.00 0.00 C ATOM 130 CD1 LEU A 10 4.871 5.880 -1.197 1.00 0.00 C ATOM 131 CD2 LEU A 10 7.133 4.939 -1.678 1.00 0.00 C ATOM 0 H LEU A 10 7.740 5.166 2.658 1.00 0.00 H new ATOM 0 HA LEU A 10 5.253 3.834 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.772 6.059 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.415 5.613 0.665 1.00 0.00 H new ATOM 0 HG LEU A 10 5.515 3.879 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.548 5.620 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.016 5.844 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.290 6.886 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.811 4.679 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.551 5.946 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.892 4.231 -1.346 1.00 0.00 H new ATOM 143 N ILE A 11 8.077 2.795 0.562 1.00 0.00 N ATOM 144 CA ILE A 11 8.669 1.619 -0.116 1.00 0.00 C ATOM 145 C ILE A 11 8.391 0.380 0.731 1.00 0.00 C ATOM 146 O ILE A 11 7.986 -0.647 0.226 1.00 0.00 O ATOM 147 CB ILE A 11 10.171 1.951 -0.224 1.00 0.00 C ATOM 148 CG1 ILE A 11 10.536 2.154 -1.696 1.00 0.00 C ATOM 149 CG2 ILE A 11 11.030 0.820 0.354 1.00 0.00 C ATOM 150 CD1 ILE A 11 10.222 0.879 -2.481 1.00 0.00 C ATOM 0 H ILE A 11 8.721 3.566 0.739 1.00 0.00 H new ATOM 0 HA ILE A 11 8.258 1.412 -1.104 1.00 0.00 H new ATOM 0 HB ILE A 11 10.365 2.859 0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.977 2.994 -2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.594 2.399 -1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.084 1.082 0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.780 0.674 1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.837 -0.101 -0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.482 1.024 -3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.801 0.050 -2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.159 0.654 -2.399 1.00 0.00 H new ATOM 162 N GLU A 12 8.579 0.468 2.019 1.00 0.00 N ATOM 163 CA GLU A 12 8.291 -0.709 2.869 1.00 0.00 C ATOM 164 C GLU A 12 6.910 -1.239 2.508 1.00 0.00 C ATOM 165 O GLU A 12 6.765 -2.346 2.027 1.00 0.00 O ATOM 166 CB GLU A 12 8.314 -0.197 4.296 1.00 0.00 C ATOM 167 CG GLU A 12 9.345 -0.983 5.108 1.00 0.00 C ATOM 168 CD GLU A 12 8.664 -1.614 6.323 1.00 0.00 C ATOM 169 OE1 GLU A 12 7.941 -0.906 7.006 1.00 0.00 O ATOM 170 OE2 GLU A 12 8.876 -2.792 6.551 1.00 0.00 O ATOM 0 H GLU A 12 8.916 1.296 2.510 1.00 0.00 H new ATOM 0 HA GLU A 12 9.009 -1.518 2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.560 0.865 4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.327 -0.300 4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.798 -1.757 4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.150 -0.322 5.431 1.00 0.00 H new ATOM 177 N SER A 13 5.891 -0.447 2.706 1.00 0.00 N ATOM 178 CA SER A 13 4.539 -0.899 2.339 1.00 0.00 C ATOM 179 C SER A 13 4.593 -1.478 0.930 1.00 0.00 C ATOM 180 O SER A 13 4.268 -2.629 0.713 1.00 0.00 O ATOM 181 CB SER A 13 3.682 0.366 2.395 1.00 0.00 C ATOM 182 OG SER A 13 4.088 1.155 3.506 1.00 0.00 O ATOM 0 H SER A 13 5.946 0.490 3.106 1.00 0.00 H new ATOM 0 HA SER A 13 4.136 -1.672 2.993 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.790 0.934 1.471 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.628 0.102 2.486 1.00 0.00 H new ATOM 0 HG SER A 13 3.714 0.777 4.329 1.00 0.00 H new ATOM 188 N LEU A 14 5.033 -0.705 -0.029 1.00 0.00 N ATOM 189 CA LEU A 14 5.128 -1.251 -1.411 1.00 0.00 C ATOM 190 C LEU A 14 5.885 -2.577 -1.373 1.00 0.00 C ATOM 191 O LEU A 14 5.501 -3.537 -2.011 1.00 0.00 O ATOM 192 CB LEU A 14 5.906 -0.201 -2.209 1.00 0.00 C ATOM 193 CG LEU A 14 5.668 -0.399 -3.709 1.00 0.00 C ATOM 194 CD1 LEU A 14 5.846 -1.874 -4.076 1.00 0.00 C ATOM 195 CD2 LEU A 14 4.249 0.044 -4.062 1.00 0.00 C ATOM 0 H LEU A 14 5.326 0.266 0.084 1.00 0.00 H new ATOM 0 HA LEU A 14 4.153 -1.442 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.592 0.800 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.970 -0.280 -1.988 1.00 0.00 H new ATOM 0 HG LEU A 14 6.389 0.199 -4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.675 -2.006 -5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.859 -2.191 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.131 -2.477 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.079 -0.097 -5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.531 -0.552 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.123 1.097 -3.810 1.00 0.00 H new ATOM 207 N SER A 15 6.949 -2.650 -0.618 1.00 0.00 N ATOM 208 CA SER A 15 7.697 -3.925 -0.540 1.00 0.00 C ATOM 209 C SER A 15 6.800 -4.974 0.103 1.00 0.00 C ATOM 210 O SER A 15 6.752 -6.114 -0.312 1.00 0.00 O ATOM 211 CB SER A 15 8.911 -3.628 0.341 1.00 0.00 C ATOM 212 OG SER A 15 9.980 -4.488 -0.031 1.00 0.00 O ATOM 0 H SER A 15 7.325 -1.885 -0.058 1.00 0.00 H new ATOM 0 HA SER A 15 8.007 -4.303 -1.514 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.211 -2.586 0.229 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.658 -3.776 1.391 1.00 0.00 H new ATOM 0 HG SER A 15 10.761 -4.300 0.530 1.00 0.00 H new ATOM 218 N GLN A 16 6.079 -4.584 1.116 1.00 0.00 N ATOM 219 CA GLN A 16 5.171 -5.528 1.796 1.00 0.00 C ATOM 220 C GLN A 16 4.096 -6.016 0.830 1.00 0.00 C ATOM 221 O GLN A 16 3.810 -7.194 0.757 1.00 0.00 O ATOM 222 CB GLN A 16 4.569 -4.720 2.932 1.00 0.00 C ATOM 223 CG GLN A 16 5.278 -5.075 4.237 1.00 0.00 C ATOM 224 CD GLN A 16 4.297 -5.764 5.186 1.00 0.00 C ATOM 225 OE1 GLN A 16 3.124 -5.449 5.200 1.00 0.00 O ATOM 226 NE2 GLN A 16 4.729 -6.702 5.985 1.00 0.00 N ATOM 0 H GLN A 16 6.085 -3.639 1.501 1.00 0.00 H new ATOM 0 HA GLN A 16 5.680 -6.421 2.159 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.670 -3.654 2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.502 -4.929 3.016 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.125 -5.731 4.035 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.677 -4.174 4.702 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.714 -6.968 5.974 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.082 -7.169 6.620 1.00 0.00 H new ATOM 235 N MET A 17 3.506 -5.134 0.069 1.00 0.00 N ATOM 236 CA MET A 17 2.479 -5.587 -0.890 1.00 0.00 C ATOM 237 C MET A 17 3.166 -6.358 -2.014 1.00 0.00 C ATOM 238 O MET A 17 2.569 -7.189 -2.670 1.00 0.00 O ATOM 239 CB MET A 17 1.844 -4.308 -1.415 1.00 0.00 C ATOM 240 CG MET A 17 1.279 -3.497 -0.252 1.00 0.00 C ATOM 241 SD MET A 17 1.906 -1.802 -0.347 1.00 0.00 S ATOM 242 CE MET A 17 0.576 -1.122 -1.365 1.00 0.00 C ATOM 0 H MET A 17 3.693 -4.131 0.075 1.00 0.00 H new ATOM 0 HA MET A 17 1.732 -6.246 -0.447 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.585 -3.719 -1.956 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.050 -4.549 -2.122 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.190 -3.497 -0.289 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.566 -3.951 0.697 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.319 -0.124 -1.009 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.905 -1.064 -2.402 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.300 -1.767 -1.298 1.00 0.00 H new ATOM 252 N LEU A 18 4.430 -6.099 -2.224 1.00 0.00 N ATOM 253 CA LEU A 18 5.168 -6.829 -3.288 1.00 0.00 C ATOM 254 C LEU A 18 5.378 -8.272 -2.848 1.00 0.00 C ATOM 255 O LEU A 18 5.476 -9.177 -3.653 1.00 0.00 O ATOM 256 CB LEU A 18 6.506 -6.101 -3.424 1.00 0.00 C ATOM 257 CG LEU A 18 7.044 -6.280 -4.843 1.00 0.00 C ATOM 258 CD1 LEU A 18 6.930 -4.958 -5.603 1.00 0.00 C ATOM 259 CD2 LEU A 18 8.512 -6.707 -4.780 1.00 0.00 C ATOM 0 H LEU A 18 4.979 -5.415 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 18 4.633 -6.849 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.379 -5.041 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.221 -6.494 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 18 6.464 -7.045 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.314 -5.086 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.885 -4.653 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.510 -4.192 -5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.897 -6.835 -5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.092 -5.941 -4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.594 -7.649 -4.238 1.00 0.00 H new ATOM 271 N SER A 19 5.430 -8.489 -1.568 1.00 0.00 N ATOM 272 CA SER A 19 5.614 -9.874 -1.054 1.00 0.00 C ATOM 273 C SER A 19 4.280 -10.396 -0.523 1.00 0.00 C ATOM 274 O SER A 19 4.211 -11.025 0.515 1.00 0.00 O ATOM 275 CB SER A 19 6.638 -9.753 0.073 1.00 0.00 C ATOM 276 OG SER A 19 7.263 -11.014 0.276 1.00 0.00 O ATOM 0 H SER A 19 5.353 -7.767 -0.852 1.00 0.00 H new ATOM 0 HA SER A 19 5.953 -10.568 -1.823 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.385 -9.000 -0.178 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.150 -9.424 0.990 1.00 0.00 H new ATOM 0 HG SER A 19 7.922 -10.940 0.998 1.00 0.00 H new ATOM 282 N MET A 20 3.217 -10.127 -1.229 1.00 0.00 N ATOM 283 CA MET A 20 1.879 -10.592 -0.775 1.00 0.00 C ATOM 284 C MET A 20 1.174 -11.363 -1.885 1.00 0.00 C ATOM 285 O MET A 20 0.869 -12.532 -1.759 1.00 0.00 O ATOM 286 CB MET A 20 1.119 -9.318 -0.444 1.00 0.00 C ATOM 287 CG MET A 20 1.163 -9.073 1.065 1.00 0.00 C ATOM 288 SD MET A 20 -0.017 -10.165 1.892 1.00 0.00 S ATOM 289 CE MET A 20 0.763 -10.138 3.526 1.00 0.00 C ATOM 0 H MET A 20 3.219 -9.603 -2.104 1.00 0.00 H new ATOM 0 HA MET A 20 1.945 -11.267 0.078 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.558 -8.472 -0.973 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.085 -9.401 -0.779 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.169 -9.254 1.444 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.924 -8.032 1.282 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.189 -10.760 4.213 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.780 -10.524 3.450 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.790 -9.114 3.899 1.00 0.00 H new ATOM 299 N GLY A 21 0.896 -10.697 -2.959 1.00 0.00 N ATOM 300 CA GLY A 21 0.189 -11.336 -4.087 1.00 0.00 C ATOM 301 C GLY A 21 -1.034 -10.495 -4.379 1.00 0.00 C ATOM 302 O GLY A 21 -2.136 -10.983 -4.531 1.00 0.00 O ATOM 0 H GLY A 21 1.134 -9.716 -3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.835 -11.394 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.097 -12.357 -3.834 1.00 0.00 H new ATOM 306 N PHE A 22 -0.838 -9.218 -4.400 1.00 0.00 N ATOM 307 CA PHE A 22 -1.960 -8.287 -4.613 1.00 0.00 C ATOM 308 C PHE A 22 -2.096 -7.846 -6.063 1.00 0.00 C ATOM 309 O PHE A 22 -1.359 -8.251 -6.941 1.00 0.00 O ATOM 310 CB PHE A 22 -1.613 -7.095 -3.741 1.00 0.00 C ATOM 311 CG PHE A 22 -1.971 -7.410 -2.320 1.00 0.00 C ATOM 312 CD1 PHE A 22 -3.218 -7.963 -2.030 1.00 0.00 C ATOM 313 CD2 PHE A 22 -1.062 -7.140 -1.292 1.00 0.00 C ATOM 314 CE1 PHE A 22 -3.560 -8.248 -0.709 1.00 0.00 C ATOM 315 CE2 PHE A 22 -1.407 -7.421 0.030 1.00 0.00 C ATOM 316 CZ PHE A 22 -2.661 -7.977 0.319 1.00 0.00 C ATOM 0 H PHE A 22 0.071 -8.772 -4.276 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.912 -8.756 -4.366 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.550 -6.867 -3.820 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.154 -6.211 -4.079 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.917 -8.170 -2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.096 -6.715 -1.521 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.524 -8.680 -0.483 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.710 -7.211 0.828 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.930 -8.196 1.342 1.00 0.00 H new ATOM 326 N SER A 23 -3.060 -7.007 -6.293 1.00 0.00 N ATOM 327 CA SER A 23 -3.328 -6.486 -7.650 1.00 0.00 C ATOM 328 C SER A 23 -2.791 -5.061 -7.792 1.00 0.00 C ATOM 329 O SER A 23 -1.829 -4.681 -7.155 1.00 0.00 O ATOM 330 CB SER A 23 -4.851 -6.486 -7.766 1.00 0.00 C ATOM 331 OG SER A 23 -5.240 -7.248 -8.901 1.00 0.00 O ATOM 0 H SER A 23 -3.690 -6.652 -5.573 1.00 0.00 H new ATOM 0 HA SER A 23 -2.848 -7.084 -8.424 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.295 -6.906 -6.863 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.219 -5.464 -7.857 1.00 0.00 H new ATOM 0 HG SER A 23 -6.217 -7.250 -8.975 1.00 0.00 H new ATOM 337 N ASP A 24 -3.416 -4.268 -8.619 1.00 0.00 N ATOM 338 CA ASP A 24 -2.955 -2.866 -8.801 1.00 0.00 C ATOM 339 C ASP A 24 -4.077 -2.013 -9.397 1.00 0.00 C ATOM 340 O ASP A 24 -3.840 -1.155 -10.221 1.00 0.00 O ATOM 341 CB ASP A 24 -1.783 -2.961 -9.774 1.00 0.00 C ATOM 342 CG ASP A 24 -0.662 -2.025 -9.319 1.00 0.00 C ATOM 343 OD1 ASP A 24 -0.958 -1.081 -8.605 1.00 0.00 O ATOM 344 OD2 ASP A 24 0.474 -2.267 -9.694 1.00 0.00 O ATOM 0 H ASP A 24 -4.228 -4.533 -9.177 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.668 -2.400 -7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.418 -3.987 -9.820 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.109 -2.693 -10.779 1.00 0.00 H new ATOM 349 N GLU A 25 -5.296 -2.237 -8.985 1.00 0.00 N ATOM 350 CA GLU A 25 -6.418 -1.422 -9.531 1.00 0.00 C ATOM 351 C GLU A 25 -6.016 0.053 -9.526 1.00 0.00 C ATOM 352 O GLU A 25 -5.459 0.545 -8.565 1.00 0.00 O ATOM 353 CB GLU A 25 -7.592 -1.667 -8.581 1.00 0.00 C ATOM 354 CG GLU A 25 -8.473 -2.787 -9.137 1.00 0.00 C ATOM 355 CD GLU A 25 -8.566 -3.920 -8.113 1.00 0.00 C ATOM 356 OE1 GLU A 25 -9.308 -3.769 -7.157 1.00 0.00 O ATOM 357 OE2 GLU A 25 -7.892 -4.920 -8.304 1.00 0.00 O ATOM 0 H GLU A 25 -5.562 -2.944 -8.299 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.675 -1.689 -10.556 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.223 -1.937 -7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.176 -0.754 -8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.468 -2.403 -9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.057 -3.161 -10.072 1.00 0.00 H new ATOM 364 N GLY A 26 -6.271 0.762 -10.590 1.00 0.00 N ATOM 365 CA GLY A 26 -5.870 2.195 -10.622 1.00 0.00 C ATOM 366 C GLY A 26 -4.425 2.299 -10.136 1.00 0.00 C ATOM 367 O GLY A 26 -3.997 3.312 -9.620 1.00 0.00 O ATOM 0 H GLY A 26 -6.735 0.416 -11.430 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.960 2.592 -11.633 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.528 2.788 -9.987 1.00 0.00 H new ATOM 371 N GLY A 27 -3.673 1.242 -10.297 1.00 0.00 N ATOM 372 CA GLY A 27 -2.257 1.244 -9.850 1.00 0.00 C ATOM 373 C GLY A 27 -2.179 1.656 -8.379 1.00 0.00 C ATOM 374 O GLY A 27 -1.504 2.606 -8.032 1.00 0.00 O ATOM 0 H GLY A 27 -3.987 0.370 -10.724 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.823 0.253 -9.983 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.674 1.933 -10.462 1.00 0.00 H new ATOM 378 N TRP A 28 -2.865 0.961 -7.507 1.00 0.00 N ATOM 379 CA TRP A 28 -2.817 1.339 -6.079 1.00 0.00 C ATOM 380 C TRP A 28 -1.635 0.682 -5.369 1.00 0.00 C ATOM 381 O TRP A 28 -1.192 1.160 -4.346 1.00 0.00 O ATOM 382 CB TRP A 28 -4.145 0.867 -5.489 1.00 0.00 C ATOM 383 CG TRP A 28 -4.260 -0.617 -5.526 1.00 0.00 C ATOM 384 CD1 TRP A 28 -5.128 -1.300 -6.291 1.00 0.00 C ATOM 385 CD2 TRP A 28 -3.536 -1.600 -4.761 1.00 0.00 C ATOM 386 NE1 TRP A 28 -4.962 -2.654 -6.066 1.00 0.00 N ATOM 387 CE2 TRP A 28 -3.987 -2.888 -5.125 1.00 0.00 C ATOM 388 CE3 TRP A 28 -2.533 -1.497 -3.806 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -3.453 -4.036 -4.548 1.00 0.00 C ATOM 390 CZ3 TRP A 28 -1.998 -2.633 -3.223 1.00 0.00 C ATOM 391 CH2 TRP A 28 -2.447 -3.905 -3.586 1.00 0.00 C ATOM 0 H TRP A 28 -3.450 0.155 -7.728 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.679 2.413 -5.955 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.231 1.214 -4.459 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.970 1.311 -6.045 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.842 -0.861 -6.973 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.494 -3.385 -6.537 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.167 -0.523 -3.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.810 -5.013 -4.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.223 -2.534 -2.477 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.019 -4.783 -3.126 1.00 0.00 H new ATOM 402 N LEU A 29 -1.104 -0.395 -5.873 1.00 0.00 N ATOM 403 CA LEU A 29 0.050 -1.010 -5.161 1.00 0.00 C ATOM 404 C LEU A 29 1.055 0.085 -4.817 1.00 0.00 C ATOM 405 O LEU A 29 1.718 0.038 -3.801 1.00 0.00 O ATOM 406 CB LEU A 29 0.638 -2.047 -6.119 1.00 0.00 C ATOM 407 CG LEU A 29 0.511 -3.429 -5.469 1.00 0.00 C ATOM 408 CD1 LEU A 29 1.284 -4.472 -6.273 1.00 0.00 C ATOM 409 CD2 LEU A 29 1.081 -3.372 -4.055 1.00 0.00 C ATOM 0 H LEU A 29 -1.408 -0.867 -6.725 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.235 -1.492 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.110 -2.026 -7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.683 -1.821 -6.329 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.542 -3.709 -5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.183 -5.447 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.885 -4.520 -7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.337 -4.195 -6.311 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.993 -4.353 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.131 -3.083 -4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.526 -2.640 -3.468 1.00 0.00 H new ATOM 421 N THR A 30 1.139 1.094 -5.640 1.00 0.00 N ATOM 422 CA THR A 30 2.067 2.221 -5.351 1.00 0.00 C ATOM 423 C THR A 30 1.282 3.412 -4.785 1.00 0.00 C ATOM 424 O THR A 30 1.829 4.276 -4.130 1.00 0.00 O ATOM 425 CB THR A 30 2.690 2.578 -6.701 1.00 0.00 C ATOM 426 OG1 THR A 30 3.262 1.413 -7.279 1.00 0.00 O ATOM 427 CG2 THR A 30 3.776 3.637 -6.504 1.00 0.00 C ATOM 0 H THR A 30 0.603 1.186 -6.503 1.00 0.00 H new ATOM 0 HA THR A 30 2.825 1.958 -4.613 1.00 0.00 H new ATOM 0 HB THR A 30 1.919 2.973 -7.362 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.660 1.639 -8.145 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.218 3.889 -7.468 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.336 4.531 -6.062 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.549 3.247 -5.842 1.00 0.00 H new ATOM 435 N ARG A 31 -0.002 3.470 -5.045 1.00 0.00 N ATOM 436 CA ARG A 31 -0.824 4.610 -4.536 1.00 0.00 C ATOM 437 C ARG A 31 -1.611 4.208 -3.280 1.00 0.00 C ATOM 438 O ARG A 31 -1.678 4.957 -2.326 1.00 0.00 O ATOM 439 CB ARG A 31 -1.780 4.946 -5.680 1.00 0.00 C ATOM 440 CG ARG A 31 -2.142 6.432 -5.624 1.00 0.00 C ATOM 441 CD ARG A 31 -3.312 6.709 -6.570 1.00 0.00 C ATOM 442 NE ARG A 31 -4.533 6.428 -5.763 1.00 0.00 N ATOM 443 CZ ARG A 31 -5.703 6.811 -6.194 1.00 0.00 C ATOM 444 NH1 ARG A 31 -6.136 6.404 -7.356 1.00 0.00 N ATOM 445 NH2 ARG A 31 -6.441 7.601 -5.464 1.00 0.00 N ATOM 0 H ARG A 31 -0.516 2.776 -5.588 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.203 5.459 -4.250 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.315 4.710 -6.637 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.682 4.338 -5.605 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.410 6.714 -4.606 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.281 7.038 -5.907 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.300 7.741 -6.922 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.266 6.071 -7.452 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.454 5.936 -4.873 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.559 5.786 -7.927 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.051 6.704 -7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.103 7.919 -4.556 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.356 7.900 -5.801 1.00 0.00 H new ATOM 459 N LEU A 32 -2.212 3.041 -3.286 1.00 0.00 N ATOM 460 CA LEU A 32 -3.004 2.578 -2.103 1.00 0.00 C ATOM 461 C LEU A 32 -2.368 3.093 -0.813 1.00 0.00 C ATOM 462 O LEU A 32 -2.935 3.894 -0.096 1.00 0.00 O ATOM 463 CB LEU A 32 -2.923 1.057 -2.118 1.00 0.00 C ATOM 464 CG LEU A 32 -3.522 0.502 -0.825 1.00 0.00 C ATOM 465 CD1 LEU A 32 -5.044 0.642 -0.865 1.00 0.00 C ATOM 466 CD2 LEU A 32 -3.150 -0.974 -0.688 1.00 0.00 C ATOM 0 H LEU A 32 -2.187 2.385 -4.067 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.031 2.940 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.461 0.662 -2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.885 0.738 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.130 1.059 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.470 0.246 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.310 1.694 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.438 0.085 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.576 -1.373 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.544 -1.529 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.065 -1.075 -0.660 1.00 0.00 H new ATOM 478 N LEU A 33 -1.177 2.634 -0.521 1.00 0.00 N ATOM 479 CA LEU A 33 -0.481 3.088 0.707 1.00 0.00 C ATOM 480 C LEU A 33 -0.468 4.618 0.736 1.00 0.00 C ATOM 481 O LEU A 33 -0.683 5.235 1.759 1.00 0.00 O ATOM 482 CB LEU A 33 0.931 2.469 0.596 1.00 0.00 C ATOM 483 CG LEU A 33 1.932 3.434 -0.057 1.00 0.00 C ATOM 484 CD1 LEU A 33 3.346 3.093 0.416 1.00 0.00 C ATOM 485 CD2 LEU A 33 1.859 3.279 -1.566 1.00 0.00 C ATOM 0 H LEU A 33 -0.660 1.961 -1.087 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.959 2.779 1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.286 2.196 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.879 1.550 0.012 1.00 0.00 H new ATOM 0 HG LEU A 33 1.690 4.460 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.059 3.776 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.400 3.190 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.588 2.069 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.567 3.961 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.107 2.253 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.850 3.511 -1.907 1.00 0.00 H new ATOM 497 N GLN A 34 -0.236 5.235 -0.389 1.00 0.00 N ATOM 498 CA GLN A 34 -0.226 6.713 -0.440 1.00 0.00 C ATOM 499 C GLN A 34 -1.649 7.247 -0.257 1.00 0.00 C ATOM 500 O GLN A 34 -1.856 8.352 0.202 1.00 0.00 O ATOM 501 CB GLN A 34 0.300 7.040 -1.836 1.00 0.00 C ATOM 502 CG GLN A 34 1.824 7.159 -1.790 1.00 0.00 C ATOM 503 CD GLN A 34 2.255 8.472 -2.445 1.00 0.00 C ATOM 504 OE1 GLN A 34 1.877 9.539 -2.002 1.00 0.00 O ATOM 505 NE2 GLN A 34 3.038 8.439 -3.489 1.00 0.00 N ATOM 0 H GLN A 34 -0.052 4.771 -1.278 1.00 0.00 H new ATOM 0 HA GLN A 34 0.384 7.163 0.343 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.006 6.261 -2.539 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.138 7.972 -2.192 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.171 7.125 -0.757 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.281 6.315 -2.308 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.355 7.544 -3.861 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.333 9.309 -3.933 1.00 0.00 H new ATOM 514 N THR A 35 -2.630 6.467 -0.624 1.00 0.00 N ATOM 515 CA THR A 35 -4.038 6.916 -0.488 1.00 0.00 C ATOM 516 C THR A 35 -4.471 6.930 0.983 1.00 0.00 C ATOM 517 O THR A 35 -5.424 7.590 1.348 1.00 0.00 O ATOM 518 CB THR A 35 -4.859 5.900 -1.279 1.00 0.00 C ATOM 519 OG1 THR A 35 -3.994 4.948 -1.883 1.00 0.00 O ATOM 520 CG2 THR A 35 -5.660 6.624 -2.362 1.00 0.00 C ATOM 0 H THR A 35 -2.511 5.532 -1.014 1.00 0.00 H new ATOM 0 HA THR A 35 -4.174 7.932 -0.859 1.00 0.00 H new ATOM 0 HB THR A 35 -5.542 5.385 -0.604 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.330 5.413 -2.434 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.246 5.899 -2.927 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.329 7.348 -1.897 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.977 7.142 -3.035 1.00 0.00 H new ATOM 528 N LYS A 36 -3.792 6.206 1.833 1.00 0.00 N ATOM 529 CA LYS A 36 -4.190 6.191 3.272 1.00 0.00 C ATOM 530 C LYS A 36 -2.969 5.987 4.176 1.00 0.00 C ATOM 531 O LYS A 36 -2.886 5.018 4.904 1.00 0.00 O ATOM 532 CB LYS A 36 -5.150 5.009 3.401 1.00 0.00 C ATOM 533 CG LYS A 36 -6.537 5.417 2.899 1.00 0.00 C ATOM 534 CD LYS A 36 -7.534 4.291 3.183 1.00 0.00 C ATOM 535 CE LYS A 36 -8.920 4.697 2.679 1.00 0.00 C ATOM 536 NZ LYS A 36 -9.740 3.456 2.765 1.00 0.00 N ATOM 0 H LYS A 36 -2.985 5.629 1.596 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.647 7.133 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.779 4.161 2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.209 4.687 4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.858 6.335 3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.502 5.625 1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.211 3.373 2.692 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.570 4.084 4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.344 5.494 3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.874 5.070 1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.706 3.655 2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.316 2.718 2.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.771 3.128 3.752 1.00 0.00 H new ATOM 550 N ASN A 37 -2.031 6.897 4.143 1.00 0.00 N ATOM 551 CA ASN A 37 -0.819 6.765 5.008 1.00 0.00 C ATOM 552 C ASN A 37 -0.371 5.303 5.092 1.00 0.00 C ATOM 553 O ASN A 37 -0.416 4.690 6.140 1.00 0.00 O ATOM 554 CB ASN A 37 -1.263 7.268 6.380 1.00 0.00 C ATOM 555 CG ASN A 37 -0.097 7.169 7.364 1.00 0.00 C ATOM 556 OD1 ASN A 37 1.051 7.153 6.965 1.00 0.00 O ATOM 557 ND2 ASN A 37 -0.343 7.101 8.644 1.00 0.00 N ATOM 0 H ASN A 37 -2.051 7.729 3.553 1.00 0.00 H new ATOM 0 HA ASN A 37 0.028 7.327 4.616 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.604 8.301 6.307 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.106 6.678 6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.428 7.035 9.309 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.306 7.114 8.980 1.00 0.00 H new ATOM 564 N TYR A 38 0.065 4.748 3.994 1.00 0.00 N ATOM 565 CA TYR A 38 0.524 3.327 3.992 1.00 0.00 C ATOM 566 C TYR A 38 -0.371 2.472 4.889 1.00 0.00 C ATOM 567 O TYR A 38 0.085 1.778 5.776 1.00 0.00 O ATOM 568 CB TYR A 38 1.970 3.386 4.491 1.00 0.00 C ATOM 569 CG TYR A 38 2.682 4.488 3.745 1.00 0.00 C ATOM 570 CD1 TYR A 38 2.263 4.801 2.456 1.00 0.00 C ATOM 571 CD2 TYR A 38 3.729 5.209 4.335 1.00 0.00 C ATOM 572 CE1 TYR A 38 2.878 5.821 1.741 1.00 0.00 C ATOM 573 CE2 TYR A 38 4.346 6.245 3.619 1.00 0.00 C ATOM 574 CZ TYR A 38 3.921 6.548 2.321 1.00 0.00 C ATOM 575 OH TYR A 38 4.521 7.575 1.620 1.00 0.00 O ATOM 0 H TYR A 38 0.124 5.220 3.092 1.00 0.00 H new ATOM 0 HA TYR A 38 0.468 2.863 3.007 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.994 3.576 5.564 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.469 2.431 4.325 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.452 4.246 2.007 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.059 4.968 5.335 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.550 6.052 0.738 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.149 6.809 4.070 1.00 0.00 H new ATOM 0 HH TYR A 38 5.227 7.977 2.168 1.00 0.00 H new ATOM 585 N ASP A 39 -1.652 2.517 4.639 1.00 0.00 N ATOM 586 CA ASP A 39 -2.616 1.709 5.439 1.00 0.00 C ATOM 587 C ASP A 39 -2.708 0.298 4.863 1.00 0.00 C ATOM 588 O ASP A 39 -3.615 -0.446 5.172 1.00 0.00 O ATOM 589 CB ASP A 39 -3.954 2.434 5.291 1.00 0.00 C ATOM 590 CG ASP A 39 -4.334 3.084 6.622 1.00 0.00 C ATOM 591 OD1 ASP A 39 -4.446 2.362 7.600 1.00 0.00 O ATOM 592 OD2 ASP A 39 -4.504 4.291 6.643 1.00 0.00 O ATOM 0 H ASP A 39 -2.076 3.086 3.906 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.318 1.614 6.483 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.884 3.192 4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.728 1.731 4.984 1.00 0.00 H new ATOM 597 N ILE A 40 -1.776 -0.082 4.026 1.00 0.00 N ATOM 598 CA ILE A 40 -1.833 -1.453 3.438 1.00 0.00 C ATOM 599 C ILE A 40 -2.171 -2.475 4.520 1.00 0.00 C ATOM 600 O ILE A 40 -2.666 -3.535 4.230 1.00 0.00 O ATOM 601 CB ILE A 40 -0.461 -1.741 2.826 1.00 0.00 C ATOM 602 CG1 ILE A 40 0.644 -1.057 3.633 1.00 0.00 C ATOM 603 CG2 ILE A 40 -0.438 -1.229 1.384 1.00 0.00 C ATOM 604 CD1 ILE A 40 1.889 -1.944 3.630 1.00 0.00 C ATOM 0 H ILE A 40 -0.987 0.491 3.727 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.608 -1.519 2.675 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.284 -2.816 2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.876 -0.083 3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.309 -0.882 4.656 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.537 -1.431 0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.211 -1.736 0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.624 -0.155 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.681 -1.462 4.204 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.650 -2.908 4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.225 -2.096 2.604 1.00 0.00 H new ATOM 616 N GLY A 41 -1.937 -2.169 5.770 1.00 0.00 N ATOM 617 CA GLY A 41 -2.304 -3.145 6.832 1.00 0.00 C ATOM 618 C GLY A 41 -3.827 -3.186 6.889 1.00 0.00 C ATOM 619 O GLY A 41 -4.445 -4.213 6.689 1.00 0.00 O ATOM 0 H GLY A 41 -1.515 -1.299 6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.899 -4.132 6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.890 -2.843 7.794 1.00 0.00 H new ATOM 623 N ALA A 42 -4.439 -2.057 7.108 1.00 0.00 N ATOM 624 CA ALA A 42 -5.917 -1.997 7.118 1.00 0.00 C ATOM 625 C ALA A 42 -6.392 -2.204 5.690 1.00 0.00 C ATOM 626 O ALA A 42 -7.396 -2.839 5.434 1.00 0.00 O ATOM 627 CB ALA A 42 -6.244 -0.587 7.614 1.00 0.00 C ATOM 0 H ALA A 42 -3.970 -1.168 7.282 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.394 -2.749 7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.325 -0.456 7.652 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.826 -0.446 8.611 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.814 0.147 6.933 1.00 0.00 H new ATOM 633 N ALA A 43 -5.642 -1.701 4.750 1.00 0.00 N ATOM 634 CA ALA A 43 -6.009 -1.899 3.331 1.00 0.00 C ATOM 635 C ALA A 43 -5.867 -3.383 3.014 1.00 0.00 C ATOM 636 O ALA A 43 -6.658 -3.946 2.289 1.00 0.00 O ATOM 637 CB ALA A 43 -5.007 -1.072 2.528 1.00 0.00 C ATOM 0 H ALA A 43 -4.791 -1.162 4.909 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.030 -1.594 3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.221 -1.173 1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.087 -0.024 2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.997 -1.428 2.730 1.00 0.00 H new ATOM 643 N LEU A 44 -4.867 -4.026 3.582 1.00 0.00 N ATOM 644 CA LEU A 44 -4.674 -5.486 3.342 1.00 0.00 C ATOM 645 C LEU A 44 -6.034 -6.154 3.274 1.00 0.00 C ATOM 646 O LEU A 44 -6.290 -7.000 2.447 1.00 0.00 O ATOM 647 CB LEU A 44 -3.895 -6.000 4.549 1.00 0.00 C ATOM 648 CG LEU A 44 -2.741 -6.897 4.096 1.00 0.00 C ATOM 649 CD1 LEU A 44 -3.305 -8.226 3.598 1.00 0.00 C ATOM 650 CD2 LEU A 44 -1.958 -6.220 2.967 1.00 0.00 C ATOM 0 H LEU A 44 -4.179 -3.596 4.201 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.145 -5.692 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.507 -5.159 5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.560 -6.557 5.209 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.070 -7.070 4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.487 -8.870 3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.853 -8.714 4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.978 -8.044 2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.139 -6.868 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.622 -6.038 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.555 -5.272 3.322 1.00 0.00 H new ATOM 662 N ASP A 45 -6.919 -5.741 4.128 1.00 0.00 N ATOM 663 CA ASP A 45 -8.280 -6.313 4.113 1.00 0.00 C ATOM 664 C ASP A 45 -8.899 -6.074 2.739 1.00 0.00 C ATOM 665 O ASP A 45 -9.376 -6.983 2.089 1.00 0.00 O ATOM 666 CB ASP A 45 -9.012 -5.572 5.258 1.00 0.00 C ATOM 667 CG ASP A 45 -10.183 -4.741 4.717 1.00 0.00 C ATOM 668 OD1 ASP A 45 -11.273 -5.282 4.621 1.00 0.00 O ATOM 669 OD2 ASP A 45 -9.968 -3.581 4.409 1.00 0.00 O ATOM 0 H ASP A 45 -6.755 -5.028 4.839 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.326 -7.390 4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.380 -6.295 5.986 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.311 -4.921 5.781 1.00 0.00 H new ATOM 674 N THR A 46 -8.861 -4.865 2.285 1.00 0.00 N ATOM 675 CA THR A 46 -9.406 -4.558 0.945 1.00 0.00 C ATOM 676 C THR A 46 -8.432 -5.071 -0.116 1.00 0.00 C ATOM 677 O THR A 46 -8.819 -5.408 -1.217 1.00 0.00 O ATOM 678 CB THR A 46 -9.546 -3.021 0.897 1.00 0.00 C ATOM 679 OG1 THR A 46 -10.781 -2.686 0.280 1.00 0.00 O ATOM 680 CG2 THR A 46 -8.392 -2.383 0.100 1.00 0.00 C ATOM 0 H THR A 46 -8.472 -4.067 2.788 1.00 0.00 H new ATOM 0 HA THR A 46 -10.368 -5.034 0.755 1.00 0.00 H new ATOM 0 HB THR A 46 -9.513 -2.638 1.917 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.877 -1.711 0.248 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.517 -1.300 0.083 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.442 -2.631 0.573 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.400 -2.765 -0.921 1.00 0.00 H new ATOM 688 N ILE A 47 -7.167 -5.125 0.208 1.00 0.00 N ATOM 689 CA ILE A 47 -6.177 -5.603 -0.772 1.00 0.00 C ATOM 690 C ILE A 47 -6.194 -7.135 -0.844 1.00 0.00 C ATOM 691 O ILE A 47 -5.801 -7.717 -1.834 1.00 0.00 O ATOM 692 CB ILE A 47 -4.866 -5.055 -0.254 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.010 -3.547 -0.120 1.00 0.00 C ATOM 694 CG2 ILE A 47 -3.750 -5.344 -1.248 1.00 0.00 C ATOM 695 CD1 ILE A 47 -5.538 -2.961 -1.432 1.00 0.00 C ATOM 0 H ILE A 47 -6.786 -4.855 1.115 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.372 -5.272 -1.792 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.625 -5.518 0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.691 -3.308 0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.047 -3.100 0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.810 -4.945 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.657 -6.421 -1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.982 -4.873 -2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.640 -1.880 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.840 -3.187 -2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.510 -3.398 -1.660 1.00 0.00 H new ATOM 707 N GLN A 48 -6.675 -7.809 0.177 1.00 0.00 N ATOM 708 CA GLN A 48 -6.733 -9.287 0.090 1.00 0.00 C ATOM 709 C GLN A 48 -8.134 -9.713 -0.343 1.00 0.00 C ATOM 710 O GLN A 48 -8.381 -10.865 -0.632 1.00 0.00 O ATOM 711 CB GLN A 48 -6.388 -9.824 1.469 1.00 0.00 C ATOM 712 CG GLN A 48 -5.018 -10.508 1.414 1.00 0.00 C ATOM 713 CD GLN A 48 -5.006 -11.539 0.280 1.00 0.00 C ATOM 714 OE1 GLN A 48 -5.901 -12.355 0.179 1.00 0.00 O ATOM 715 NE2 GLN A 48 -4.026 -11.537 -0.588 1.00 0.00 N ATOM 0 H GLN A 48 -7.021 -7.401 1.046 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.031 -9.680 -0.645 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.374 -9.012 2.196 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.149 -10.532 1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.236 -9.766 1.254 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.805 -10.996 2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.273 -10.853 -0.506 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.015 -12.219 -1.346 1.00 0.00 H new ATOM 724 N TYR A 49 -9.041 -8.773 -0.418 1.00 0.00 N ATOM 725 CA TYR A 49 -10.431 -9.086 -0.863 1.00 0.00 C ATOM 726 C TYR A 49 -10.903 -10.435 -0.309 1.00 0.00 C ATOM 727 O TYR A 49 -10.568 -11.483 -0.822 1.00 0.00 O ATOM 728 CB TYR A 49 -10.325 -9.131 -2.385 1.00 0.00 C ATOM 729 CG TYR A 49 -9.670 -7.862 -2.882 1.00 0.00 C ATOM 730 CD1 TYR A 49 -8.283 -7.698 -2.766 1.00 0.00 C ATOM 731 CD2 TYR A 49 -10.446 -6.852 -3.461 1.00 0.00 C ATOM 732 CE1 TYR A 49 -7.674 -6.522 -3.227 1.00 0.00 C ATOM 733 CE2 TYR A 49 -9.838 -5.677 -3.923 1.00 0.00 C ATOM 734 CZ TYR A 49 -8.452 -5.513 -3.804 1.00 0.00 C ATOM 735 OH TYR A 49 -7.854 -4.356 -4.259 1.00 0.00 O ATOM 0 H TYR A 49 -8.876 -7.793 -0.188 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.156 -8.353 -0.510 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.742 -9.999 -2.694 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.316 -9.239 -2.826 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.683 -8.478 -2.321 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.515 -6.978 -3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.605 -6.396 -3.137 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.438 -4.898 -4.371 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.235 -4.111 -5.128 1.00 0.00 H new ATOM 745 N SER A 50 -11.696 -10.416 0.729 1.00 0.00 N ATOM 746 CA SER A 50 -12.196 -11.696 1.310 1.00 0.00 C ATOM 747 C SER A 50 -13.433 -12.193 0.548 1.00 0.00 C ATOM 748 O SER A 50 -14.301 -12.829 1.112 1.00 0.00 O ATOM 749 CB SER A 50 -12.562 -11.357 2.754 1.00 0.00 C ATOM 750 OG SER A 50 -11.427 -11.561 3.586 1.00 0.00 O ATOM 0 H SER A 50 -12.019 -9.570 1.199 1.00 0.00 H new ATOM 0 HA SER A 50 -11.451 -12.489 1.248 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.897 -10.322 2.823 1.00 0.00 H new ATOM 0 HB3 SER A 50 -13.390 -11.983 3.088 1.00 0.00 H new ATOM 0 HG SER A 50 -11.658 -11.343 4.513 1.00 0.00 H new ATOM 756 N LYS A 51 -13.516 -11.916 -0.726 1.00 0.00 N ATOM 757 CA LYS A 51 -14.692 -12.381 -1.519 1.00 0.00 C ATOM 758 C LYS A 51 -15.985 -12.207 -0.719 1.00 0.00 C ATOM 759 O LYS A 51 -16.553 -13.161 -0.223 1.00 0.00 O ATOM 760 CB LYS A 51 -14.420 -13.858 -1.789 1.00 0.00 C ATOM 761 CG LYS A 51 -13.240 -13.985 -2.753 1.00 0.00 C ATOM 762 CD LYS A 51 -11.982 -14.371 -1.973 1.00 0.00 C ATOM 763 CE LYS A 51 -11.282 -15.537 -2.674 1.00 0.00 C ATOM 764 NZ LYS A 51 -11.809 -16.761 -2.010 1.00 0.00 N ATOM 0 H LYS A 51 -12.820 -11.388 -1.252 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.819 -11.811 -2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.200 -14.376 -0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -15.305 -14.331 -2.215 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.456 -14.738 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.081 -13.042 -3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.308 -13.517 -1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.246 -14.652 -0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.500 -15.543 -3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.199 -15.467 -2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.374 -17.603 -2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.581 -16.731 -0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.841 -16.805 -2.132 1.00 0.00 H new ATOM 778 N HIS A 52 -16.457 -10.998 -0.590 1.00 0.00 N ATOM 779 CA HIS A 52 -17.714 -10.765 0.176 1.00 0.00 C ATOM 780 C HIS A 52 -17.653 -11.488 1.524 1.00 0.00 C ATOM 781 O HIS A 52 -18.294 -12.518 1.652 1.00 0.00 O ATOM 782 CB HIS A 52 -18.823 -11.353 -0.697 1.00 0.00 C ATOM 783 CG HIS A 52 -18.792 -10.705 -2.054 1.00 0.00 C ATOM 784 ND1 HIS A 52 -19.693 -11.040 -3.053 1.00 0.00 N ATOM 785 CD2 HIS A 52 -17.975 -9.743 -2.593 1.00 0.00 C ATOM 786 CE1 HIS A 52 -19.398 -10.291 -4.132 1.00 0.00 C ATOM 787 NE2 HIS A 52 -18.360 -9.482 -3.905 1.00 0.00 N ATOM 788 OXT HIS A 52 -16.965 -10.999 2.406 1.00 0.00 O ATOM 0 H HIS A 52 -16.026 -10.161 -0.982 1.00 0.00 H new ATOM 0 HA HIS A 52 -17.879 -9.709 0.389 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -18.691 -12.431 -0.794 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -19.794 -11.192 -0.228 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -17.157 -9.261 -2.077 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -19.935 -10.339 -5.068 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -17.940 -8.816 -4.553 1.00 0.00 H new TER 796 HIS A 52