USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=17 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 : X 1 GLY N :NH3+ -116:sc= 0.0689 (180deg=0) USER MOD Single : X 2 SER OG : rot 180:sc= -0.0122 USER MOD Single : X 13 SER OG : rot 120:sc= -1.18 USER MOD Single : X 15 SER OG : rot 180:sc= 0 USER MOD Single : X 16 GLN :FLIP amide:sc= -0.835 F(o=-2.8!,f=-0.83) USER MOD Single : X 17 MET CE :methyl 175:sc= -1.08 (180deg=-1.23) USER MOD Single : X 19 SER OG : rot 180:sc= 0 USER MOD Single : X 20 MET CE :methyl 157:sc= -0.202 (180deg=-0.739) USER MOD Single : X 23 SER OG : rot 180:sc= 0 USER MOD Single : X 30 THR OG1 : rot 180:sc= -0.0595 USER MOD Single : X 34 GLN :FLIP amide:sc= -0.348 F(o=-4.8!,f=-0.35) USER MOD Single : X 35 THR OG1 : rot 85:sc= 0.811 USER MOD Single : X 36 LYS NZ :NH3+ -159:sc= -0.745 (180deg=-1.97) USER MOD Single : X 37 ASN : amide:sc= -0.764 K(o=-0.76,f=-1.3) USER MOD Single : X 38 TYR OH : rot 180:sc= 0 USER MOD Single : X 46 THR OG1 : rot 112:sc= 1.88 USER MOD Single : X 48 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.86) USER MOD Single : X 49 TYR OH : rot 180:sc= 0 USER MOD Single : X 50 SER OG : rot 180:sc= -0.102 USER MOD Single : X 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 52 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 19.251 7.218 3.281 1.00 0.00 N ATOM 2 CA GLY X 1 19.887 6.191 2.423 1.00 0.00 C ATOM 3 C GLY X 1 21.347 6.490 2.159 1.00 0.00 C ATOM 4 O GLY X 1 21.806 7.612 2.381 1.00 0.00 O ATOM 0 H1 GLY X 1 18.954 6.785 4.178 1.00 0.00 H new ATOM 0 H2 GLY X 1 19.932 7.980 3.473 1.00 0.00 H new ATOM 0 H3 GLY X 1 18.420 7.611 2.794 1.00 0.00 H new ATOM 0 HA2 GLY X 1 19.798 5.215 2.901 1.00 0.00 H new ATOM 0 HA3 GLY X 1 19.353 6.131 1.475 1.00 0.00 H new ATOM 10 N SER X 2 22.080 5.492 1.681 1.00 0.00 N ATOM 11 CA SER X 2 23.495 5.657 1.382 1.00 0.00 C ATOM 12 C SER X 2 23.735 5.640 -0.122 1.00 0.00 C ATOM 13 O SER X 2 23.360 4.686 -0.807 1.00 0.00 O ATOM 14 CB SER X 2 24.308 4.551 2.056 1.00 0.00 C ATOM 15 OG SER X 2 24.203 4.637 3.469 1.00 0.00 O ATOM 0 H SER X 2 21.716 4.558 1.492 1.00 0.00 H new ATOM 0 HA SER X 2 23.817 6.623 1.771 1.00 0.00 H new ATOM 0 HB2 SER X 2 23.954 3.577 1.719 1.00 0.00 H new ATOM 0 HB3 SER X 2 25.354 4.630 1.759 1.00 0.00 H new ATOM 0 HG SER X 2 24.729 3.920 3.880 1.00 0.00 H new ATOM 21 N PRO X 3 24.364 6.699 -0.656 1.00 0.00 N ATOM 22 CA PRO X 3 24.665 6.805 -2.085 1.00 0.00 C ATOM 23 C PRO X 3 25.809 5.877 -2.494 1.00 0.00 C ATOM 24 O PRO X 3 26.824 5.796 -1.803 1.00 0.00 O ATOM 25 CB PRO X 3 25.079 8.274 -2.270 1.00 0.00 C ATOM 26 CG PRO X 3 24.788 8.950 -0.967 1.00 0.00 C ATOM 27 CD PRO X 3 24.832 7.876 0.081 1.00 0.00 C ATOM 0 HA PRO X 3 23.814 6.516 -2.701 1.00 0.00 H new ATOM 0 HB2 PRO X 3 26.136 8.353 -2.523 1.00 0.00 H new ATOM 0 HB3 PRO X 3 24.521 8.737 -3.084 1.00 0.00 H new ATOM 0 HG2 PRO X 3 25.523 9.727 -0.759 1.00 0.00 H new ATOM 0 HG3 PRO X 3 23.811 9.433 -0.989 1.00 0.00 H new ATOM 0 HD2 PRO X 3 25.838 7.735 0.476 1.00 0.00 H new ATOM 0 HD3 PRO X 3 24.187 8.108 0.928 1.00 0.00 H new ATOM 35 N PRO X 4 25.639 5.143 -3.607 1.00 0.00 N ATOM 36 CA PRO X 4 26.643 4.186 -4.096 1.00 0.00 C ATOM 37 C PRO X 4 28.025 4.810 -4.268 1.00 0.00 C ATOM 38 O PRO X 4 28.163 5.854 -4.914 1.00 0.00 O ATOM 39 CB PRO X 4 26.090 3.752 -5.455 1.00 0.00 C ATOM 40 CG PRO X 4 24.618 3.971 -5.357 1.00 0.00 C ATOM 41 CD PRO X 4 24.431 5.159 -4.454 1.00 0.00 C ATOM 0 HA PRO X 4 26.789 3.368 -3.391 1.00 0.00 H new ATOM 0 HB2 PRO X 4 26.524 4.339 -6.264 1.00 0.00 H new ATOM 0 HB3 PRO X 4 26.321 2.707 -5.660 1.00 0.00 H new ATOM 0 HG2 PRO X 4 24.186 4.157 -6.340 1.00 0.00 H new ATOM 0 HG3 PRO X 4 24.119 3.091 -4.951 1.00 0.00 H new ATOM 0 HD2 PRO X 4 24.352 6.086 -5.022 1.00 0.00 H new ATOM 0 HD3 PRO X 4 23.522 5.071 -3.858 1.00 0.00 H new ATOM 49 N GLU X 5 29.034 4.173 -3.659 1.00 0.00 N ATOM 50 CA GLU X 5 30.423 4.650 -3.699 1.00 0.00 C ATOM 51 C GLU X 5 30.591 5.911 -2.858 1.00 0.00 C ATOM 52 O GLU X 5 31.529 6.687 -3.049 1.00 0.00 O ATOM 53 CB GLU X 5 30.885 4.912 -5.138 1.00 0.00 C ATOM 54 CG GLU X 5 30.923 3.669 -6.015 1.00 0.00 C ATOM 55 CD GLU X 5 31.957 2.663 -5.563 1.00 0.00 C ATOM 56 OE1 GLU X 5 31.788 2.079 -4.477 1.00 0.00 O ATOM 57 OE2 GLU X 5 32.940 2.459 -6.300 1.00 0.00 O ATOM 0 H GLU X 5 28.911 3.313 -3.125 1.00 0.00 H new ATOM 0 HA GLU X 5 31.048 3.862 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU X 5 30.219 5.645 -5.594 1.00 0.00 H new ATOM 0 HB3 GLU X 5 31.880 5.357 -5.113 1.00 0.00 H new ATOM 0 HG2 GLU X 5 29.940 3.198 -6.013 1.00 0.00 H new ATOM 0 HG3 GLU X 5 31.134 3.962 -7.044 1.00 0.00 H new ATOM 64 N ALA X 6 29.695 6.077 -1.900 1.00 0.00 N ATOM 65 CA ALA X 6 29.732 7.200 -0.978 1.00 0.00 C ATOM 66 C ALA X 6 29.024 6.801 0.298 1.00 0.00 C ATOM 67 O ALA X 6 28.347 7.606 0.939 1.00 0.00 O ATOM 68 CB ALA X 6 29.082 8.432 -1.589 1.00 0.00 C ATOM 0 H ALA X 6 28.919 5.435 -1.739 1.00 0.00 H new ATOM 0 HA ALA X 6 30.769 7.455 -0.761 1.00 0.00 H new ATOM 0 HB1 ALA X 6 29.124 9.256 -0.877 1.00 0.00 H new ATOM 0 HB2 ALA X 6 29.614 8.711 -2.499 1.00 0.00 H new ATOM 0 HB3 ALA X 6 28.042 8.213 -1.830 1.00 0.00 H new ATOM 74 N ASP X 7 29.204 5.539 0.657 1.00 0.00 N ATOM 75 CA ASP X 7 28.611 4.980 1.856 1.00 0.00 C ATOM 76 C ASP X 7 29.293 5.566 3.065 1.00 0.00 C ATOM 77 O ASP X 7 30.473 5.874 3.003 1.00 0.00 O ATOM 78 CB ASP X 7 28.773 3.453 1.890 1.00 0.00 C ATOM 79 CG ASP X 7 27.966 2.734 0.835 1.00 0.00 C ATOM 80 OD1 ASP X 7 27.180 3.388 0.130 1.00 0.00 O ATOM 81 OD2 ASP X 7 28.113 1.501 0.722 1.00 0.00 O ATOM 0 H ASP X 7 29.766 4.876 0.123 1.00 0.00 H new ATOM 0 HA ASP X 7 27.548 5.221 1.859 1.00 0.00 H new ATOM 0 HB2 ASP X 7 29.827 3.205 1.761 1.00 0.00 H new ATOM 0 HB3 ASP X 7 28.478 3.087 2.873 1.00 0.00 H new ATOM 86 N PRO X 8 28.616 5.591 4.218 1.00 0.00 N ATOM 87 CA PRO X 8 29.247 5.982 5.487 1.00 0.00 C ATOM 88 C PRO X 8 30.520 5.169 5.754 1.00 0.00 C ATOM 89 O PRO X 8 31.368 5.545 6.562 1.00 0.00 O ATOM 90 CB PRO X 8 28.185 5.655 6.543 1.00 0.00 C ATOM 91 CG PRO X 8 26.898 5.516 5.800 1.00 0.00 C ATOM 92 CD PRO X 8 27.246 5.095 4.398 1.00 0.00 C ATOM 0 HA PRO X 8 29.550 7.029 5.487 1.00 0.00 H new ATOM 0 HB2 PRO X 8 28.431 4.735 7.073 1.00 0.00 H new ATOM 0 HB3 PRO X 8 28.121 6.446 7.290 1.00 0.00 H new ATOM 0 HG2 PRO X 8 26.255 4.776 6.277 1.00 0.00 H new ATOM 0 HG3 PRO X 8 26.351 6.459 5.796 1.00 0.00 H new ATOM 0 HD2 PRO X 8 27.193 4.013 4.280 1.00 0.00 H new ATOM 0 HD3 PRO X 8 26.563 5.530 3.668 1.00 0.00 H new ATOM 100 N ARG X 9 30.624 4.046 5.052 1.00 0.00 N ATOM 101 CA ARG X 9 31.751 3.138 5.152 1.00 0.00 C ATOM 102 C ARG X 9 32.812 3.445 4.087 1.00 0.00 C ATOM 103 O ARG X 9 33.994 3.180 4.282 1.00 0.00 O ATOM 104 CB ARG X 9 31.236 1.714 4.947 1.00 0.00 C ATOM 105 CG ARG X 9 29.986 1.402 5.758 1.00 0.00 C ATOM 106 CD ARG X 9 30.298 1.183 7.230 1.00 0.00 C ATOM 107 NE ARG X 9 30.696 -0.196 7.499 1.00 0.00 N ATOM 108 CZ ARG X 9 31.015 -0.650 8.708 1.00 0.00 C ATOM 109 NH1 ARG X 9 31.085 0.192 9.733 1.00 0.00 N ATOM 110 NH2 ARG X 9 31.283 -1.937 8.888 1.00 0.00 N ATOM 0 H ARG X 9 29.913 3.740 4.387 1.00 0.00 H new ATOM 0 HA ARG X 9 32.213 3.254 6.133 1.00 0.00 H new ATOM 0 HB2 ARG X 9 31.022 1.562 3.889 1.00 0.00 H new ATOM 0 HB3 ARG X 9 32.022 1.009 5.218 1.00 0.00 H new ATOM 0 HG2 ARG X 9 29.275 2.222 5.657 1.00 0.00 H new ATOM 0 HG3 ARG X 9 29.505 0.511 5.354 1.00 0.00 H new ATOM 0 HD2 ARG X 9 31.096 1.859 7.537 1.00 0.00 H new ATOM 0 HD3 ARG X 9 29.422 1.432 7.829 1.00 0.00 H new ATOM 0 HE ARG X 9 30.731 -0.848 6.715 1.00 0.00 H new ATOM 0 HH11 ARG X 9 30.894 1.184 9.592 1.00 0.00 H new ATOM 0 HH12 ARG X 9 31.329 -0.154 10.661 1.00 0.00 H new ATOM 0 HH21 ARG X 9 31.245 -2.581 8.098 1.00 0.00 H new ATOM 0 HH22 ARG X 9 31.527 -2.282 9.816 1.00 0.00 H new ATOM 124 N LEU X 10 32.357 3.849 2.902 1.00 0.00 N ATOM 125 CA LEU X 10 33.232 4.003 1.752 1.00 0.00 C ATOM 126 C LEU X 10 33.653 5.447 1.554 1.00 0.00 C ATOM 127 O LEU X 10 34.767 5.704 1.121 1.00 0.00 O ATOM 128 CB LEU X 10 32.540 3.459 0.501 1.00 0.00 C ATOM 129 CG LEU X 10 32.103 1.995 0.616 1.00 0.00 C ATOM 130 CD1 LEU X 10 31.516 1.492 -0.689 1.00 0.00 C ATOM 131 CD2 LEU X 10 33.273 1.123 1.032 1.00 0.00 C ATOM 0 H LEU X 10 31.380 4.076 2.718 1.00 0.00 H new ATOM 0 HA LEU X 10 34.141 3.430 1.936 1.00 0.00 H new ATOM 0 HB2 LEU X 10 31.665 4.073 0.287 1.00 0.00 H new ATOM 0 HB3 LEU X 10 33.216 3.560 -0.348 1.00 0.00 H new ATOM 0 HG LEU X 10 31.329 1.938 1.381 1.00 0.00 H new ATOM 0 HD11 LEU X 10 31.215 0.450 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU X 10 30.646 2.094 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU X 10 32.264 1.570 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU X 10 32.945 0.086 1.109 1.00 0.00 H new ATOM 0 HD22 LEU X 10 34.066 1.198 0.288 1.00 0.00 H new ATOM 0 HD23 LEU X 10 33.650 1.457 1.999 1.00 0.00 H new ATOM 143 N ILE X 11 32.847 6.384 2.032 1.00 0.00 N ATOM 144 CA ILE X 11 33.260 7.781 2.061 1.00 0.00 C ATOM 145 C ILE X 11 34.350 7.943 3.119 1.00 0.00 C ATOM 146 O ILE X 11 35.109 8.911 3.129 1.00 0.00 O ATOM 147 CB ILE X 11 32.073 8.738 2.360 1.00 0.00 C ATOM 148 CG1 ILE X 11 32.463 10.192 2.078 1.00 0.00 C ATOM 149 CG2 ILE X 11 31.603 8.592 3.800 1.00 0.00 C ATOM 150 CD1 ILE X 11 31.353 11.181 2.360 1.00 0.00 C ATOM 0 H ILE X 11 31.913 6.206 2.402 1.00 0.00 H new ATOM 0 HA ILE X 11 33.640 8.051 1.076 1.00 0.00 H new ATOM 0 HB ILE X 11 31.251 8.463 1.700 1.00 0.00 H new ATOM 0 HG12 ILE X 11 33.332 10.451 2.684 1.00 0.00 H new ATOM 0 HG13 ILE X 11 32.763 10.283 1.034 1.00 0.00 H new ATOM 0 HG21 ILE X 11 30.772 9.273 3.982 1.00 0.00 H new ATOM 0 HG22 ILE X 11 31.277 7.567 3.974 1.00 0.00 H new ATOM 0 HG23 ILE X 11 32.423 8.832 4.477 1.00 0.00 H new ATOM 0 HD11 ILE X 11 31.700 12.190 2.138 1.00 0.00 H new ATOM 0 HD12 ILE X 11 30.491 10.948 1.735 1.00 0.00 H new ATOM 0 HD13 ILE X 11 31.068 11.118 3.410 1.00 0.00 H new ATOM 162 N GLU X 12 34.464 6.923 3.956 1.00 0.00 N ATOM 163 CA GLU X 12 35.511 6.864 4.960 1.00 0.00 C ATOM 164 C GLU X 12 36.703 6.033 4.470 1.00 0.00 C ATOM 165 O GLU X 12 37.858 6.404 4.683 1.00 0.00 O ATOM 166 CB GLU X 12 34.948 6.281 6.262 1.00 0.00 C ATOM 167 CG GLU X 12 35.930 6.274 7.425 1.00 0.00 C ATOM 168 CD GLU X 12 36.347 7.662 7.863 1.00 0.00 C ATOM 169 OE1 GLU X 12 35.888 8.650 7.262 1.00 0.00 O ATOM 170 OE2 GLU X 12 37.140 7.764 8.816 1.00 0.00 O ATOM 0 H GLU X 12 33.837 6.119 3.958 1.00 0.00 H new ATOM 0 HA GLU X 12 35.868 7.877 5.146 1.00 0.00 H new ATOM 0 HB2 GLU X 12 34.066 6.853 6.550 1.00 0.00 H new ATOM 0 HB3 GLU X 12 34.618 5.259 6.075 1.00 0.00 H new ATOM 0 HG2 GLU X 12 35.479 5.754 8.270 1.00 0.00 H new ATOM 0 HG3 GLU X 12 36.817 5.708 7.140 1.00 0.00 H new ATOM 177 N SER X 13 36.419 4.814 4.014 1.00 0.00 N ATOM 178 CA SER X 13 37.475 3.841 3.744 1.00 0.00 C ATOM 179 C SER X 13 37.935 3.836 2.277 1.00 0.00 C ATOM 180 O SER X 13 39.114 3.620 2.002 1.00 0.00 O ATOM 181 CB SER X 13 37.000 2.444 4.158 1.00 0.00 C ATOM 182 OG SER X 13 38.082 1.534 4.262 1.00 0.00 O ATOM 0 H SER X 13 35.474 4.479 3.825 1.00 0.00 H new ATOM 0 HA SER X 13 38.343 4.135 4.335 1.00 0.00 H new ATOM 0 HB2 SER X 13 36.481 2.504 5.115 1.00 0.00 H new ATOM 0 HB3 SER X 13 36.280 2.073 3.428 1.00 0.00 H new ATOM 0 HG SER X 13 38.131 1.187 5.177 1.00 0.00 H new ATOM 188 N LEU X 14 37.038 4.110 1.332 1.00 0.00 N ATOM 189 CA LEU X 14 37.432 4.150 -0.069 1.00 0.00 C ATOM 190 C LEU X 14 37.804 5.559 -0.450 1.00 0.00 C ATOM 191 O LEU X 14 38.706 5.784 -1.252 1.00 0.00 O ATOM 192 CB LEU X 14 36.315 3.652 -0.997 1.00 0.00 C ATOM 193 CG LEU X 14 35.971 2.166 -0.892 1.00 0.00 C ATOM 194 CD1 LEU X 14 35.010 1.766 -2.001 1.00 0.00 C ATOM 195 CD2 LEU X 14 37.230 1.318 -0.951 1.00 0.00 C ATOM 0 H LEU X 14 36.052 4.304 1.508 1.00 0.00 H new ATOM 0 HA LEU X 14 38.288 3.485 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU X 14 35.414 4.229 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU X 14 36.602 3.867 -2.026 1.00 0.00 H new ATOM 0 HG LEU X 14 35.486 1.993 0.069 1.00 0.00 H new ATOM 0 HD11 LEU X 14 34.774 0.705 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU X 14 34.093 2.350 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU X 14 35.473 1.956 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU X 14 36.963 0.264 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU X 14 37.744 1.495 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU X 14 37.888 1.586 -0.125 1.00 0.00 H new ATOM 207 N SER X 15 37.043 6.506 0.073 1.00 0.00 N ATOM 208 CA SER X 15 37.233 7.894 -0.278 1.00 0.00 C ATOM 209 C SER X 15 38.608 8.399 0.157 1.00 0.00 C ATOM 210 O SER X 15 39.132 9.345 -0.426 1.00 0.00 O ATOM 211 CB SER X 15 36.130 8.764 0.321 1.00 0.00 C ATOM 212 OG SER X 15 36.105 10.050 -0.280 1.00 0.00 O ATOM 0 H SER X 15 36.291 6.335 0.740 1.00 0.00 H new ATOM 0 HA SER X 15 37.179 7.966 -1.364 1.00 0.00 H new ATOM 0 HB2 SER X 15 35.165 8.277 0.184 1.00 0.00 H new ATOM 0 HB3 SER X 15 36.286 8.865 1.395 1.00 0.00 H new ATOM 0 HG SER X 15 35.389 10.585 0.121 1.00 0.00 H new ATOM 218 N GLN X 16 39.224 7.736 1.139 1.00 0.00 N ATOM 219 CA GLN X 16 40.563 8.119 1.559 1.00 0.00 C ATOM 220 C GLN X 16 41.583 7.703 0.498 1.00 0.00 C ATOM 221 O GLN X 16 42.548 8.420 0.246 1.00 0.00 O ATOM 222 CB GLN X 16 40.902 7.538 2.946 1.00 0.00 C ATOM 223 CG GLN X 16 41.148 6.034 2.991 1.00 0.00 C ATOM 224 CD GLN X 16 42.609 5.676 2.782 1.00 0.00 C ATOM 225 OE1 GLN X 16 42.873 4.756 1.868 1.00 0.00 O flip ATOM 226 NE2 GLN X 16 43.492 6.217 3.443 1.00 0.00 N flip ATOM 0 H GLN X 16 38.822 6.947 1.646 1.00 0.00 H new ATOM 0 HA GLN X 16 40.603 9.204 1.657 1.00 0.00 H new ATOM 0 HB2 GLN X 16 41.790 8.044 3.324 1.00 0.00 H new ATOM 0 HB3 GLN X 16 40.085 7.775 3.628 1.00 0.00 H new ATOM 0 HG2 GLN X 16 40.816 5.644 3.953 1.00 0.00 H new ATOM 0 HG3 GLN X 16 40.545 5.548 2.224 1.00 0.00 H new ATOM 0 HE21 GLN X 16 43.249 6.922 4.139 1.00 0.00 H new ATOM 0 HE22 GLN X 16 44.468 5.961 3.296 1.00 0.00 H new ATOM 235 N MET X 17 41.274 6.630 -0.234 1.00 0.00 N ATOM 236 CA MET X 17 42.084 6.248 -1.386 1.00 0.00 C ATOM 237 C MET X 17 41.863 7.219 -2.531 1.00 0.00 C ATOM 238 O MET X 17 42.808 7.607 -3.213 1.00 0.00 O ATOM 239 CB MET X 17 41.766 4.830 -1.862 1.00 0.00 C ATOM 240 CG MET X 17 42.339 3.743 -0.976 1.00 0.00 C ATOM 241 SD MET X 17 42.539 2.183 -1.849 1.00 0.00 S ATOM 242 CE MET X 17 43.424 1.225 -0.625 1.00 0.00 C ATOM 0 H MET X 17 40.478 6.019 -0.050 1.00 0.00 H new ATOM 0 HA MET X 17 43.126 6.277 -1.069 1.00 0.00 H new ATOM 0 HB2 MET X 17 40.684 4.709 -1.915 1.00 0.00 H new ATOM 0 HB3 MET X 17 42.151 4.702 -2.873 1.00 0.00 H new ATOM 0 HG2 MET X 17 43.305 4.066 -0.588 1.00 0.00 H new ATOM 0 HG3 MET X 17 41.684 3.595 -0.117 1.00 0.00 H new ATOM 0 HE1 MET X 17 43.545 0.202 -0.982 1.00 0.00 H new ATOM 0 HE2 MET X 17 44.405 1.669 -0.455 1.00 0.00 H new ATOM 0 HE3 MET X 17 42.862 1.219 0.309 1.00 0.00 H new ATOM 252 N LEU X 18 40.609 7.626 -2.718 1.00 0.00 N ATOM 253 CA LEU X 18 40.266 8.580 -3.773 1.00 0.00 C ATOM 254 C LEU X 18 40.836 9.965 -3.480 1.00 0.00 C ATOM 255 O LEU X 18 40.846 10.834 -4.353 1.00 0.00 O ATOM 256 CB LEU X 18 38.745 8.677 -3.952 1.00 0.00 C ATOM 257 CG LEU X 18 38.115 7.643 -4.896 1.00 0.00 C ATOM 258 CD1 LEU X 18 38.328 6.223 -4.389 1.00 0.00 C ATOM 259 CD2 LEU X 18 36.633 7.927 -5.077 1.00 0.00 C ATOM 0 H LEU X 18 39.817 7.313 -2.157 1.00 0.00 H new ATOM 0 HA LEU X 18 40.711 8.210 -4.697 1.00 0.00 H new ATOM 0 HB2 LEU X 18 38.276 8.580 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU X 18 38.505 9.673 -4.323 1.00 0.00 H new ATOM 0 HG LEU X 18 38.611 7.727 -5.863 1.00 0.00 H new ATOM 0 HD11 LEU X 18 37.869 5.517 -5.081 1.00 0.00 H new ATOM 0 HD12 LEU X 18 39.396 6.019 -4.317 1.00 0.00 H new ATOM 0 HD13 LEU X 18 37.871 6.116 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU X 18 36.200 7.186 -5.749 1.00 0.00 H new ATOM 0 HD22 LEU X 18 36.132 7.877 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU X 18 36.503 8.922 -5.502 1.00 0.00 H new ATOM 271 N SER X 19 41.274 10.177 -2.244 1.00 0.00 N ATOM 272 CA SER X 19 41.807 11.467 -1.834 1.00 0.00 C ATOM 273 C SER X 19 43.335 11.461 -1.864 1.00 0.00 C ATOM 274 O SER X 19 43.957 12.453 -2.239 1.00 0.00 O ATOM 275 CB SER X 19 41.305 11.824 -0.431 1.00 0.00 C ATOM 276 OG SER X 19 41.327 13.228 -0.212 1.00 0.00 O ATOM 0 H SER X 19 41.270 9.470 -1.509 1.00 0.00 H new ATOM 0 HA SER X 19 41.456 12.221 -2.538 1.00 0.00 H new ATOM 0 HB2 SER X 19 40.289 11.450 -0.301 1.00 0.00 H new ATOM 0 HB3 SER X 19 41.925 11.328 0.316 1.00 0.00 H new ATOM 0 HG SER X 19 41.000 13.423 0.691 1.00 0.00 H new ATOM 282 N MET X 20 43.939 10.364 -1.412 1.00 0.00 N ATOM 283 CA MET X 20 45.396 10.280 -1.336 1.00 0.00 C ATOM 284 C MET X 20 46.010 9.868 -2.672 1.00 0.00 C ATOM 285 O MET X 20 47.120 10.285 -3.005 1.00 0.00 O ATOM 286 CB MET X 20 45.823 9.294 -0.245 1.00 0.00 C ATOM 287 CG MET X 20 45.349 9.675 1.149 1.00 0.00 C ATOM 288 SD MET X 20 45.932 8.531 2.416 1.00 0.00 S ATOM 289 CE MET X 20 47.707 8.736 2.277 1.00 0.00 C ATOM 0 H MET X 20 43.448 9.528 -1.095 1.00 0.00 H new ATOM 0 HA MET X 20 45.763 11.275 -1.087 1.00 0.00 H new ATOM 0 HB2 MET X 20 45.437 8.305 -0.492 1.00 0.00 H new ATOM 0 HB3 MET X 20 46.910 9.220 -0.241 1.00 0.00 H new ATOM 0 HG2 MET X 20 45.697 10.681 1.385 1.00 0.00 H new ATOM 0 HG3 MET X 20 44.259 9.703 1.163 1.00 0.00 H new ATOM 0 HE1 MET X 20 48.182 8.440 3.212 1.00 0.00 H new ATOM 0 HE2 MET X 20 48.083 8.112 1.466 1.00 0.00 H new ATOM 0 HE3 MET X 20 47.937 9.781 2.068 1.00 0.00 H new ATOM 299 N GLY X 21 45.294 9.051 -3.432 1.00 0.00 N ATOM 300 CA GLY X 21 45.807 8.602 -4.713 1.00 0.00 C ATOM 301 C GLY X 21 46.095 7.118 -4.730 1.00 0.00 C ATOM 302 O GLY X 21 47.110 6.682 -5.278 1.00 0.00 O ATOM 0 H GLY X 21 44.371 8.692 -3.187 1.00 0.00 H new ATOM 0 HA2 GLY X 21 45.084 8.838 -5.494 1.00 0.00 H new ATOM 0 HA3 GLY X 21 46.720 9.149 -4.948 1.00 0.00 H new ATOM 306 N PHE X 22 45.151 6.329 -4.236 1.00 0.00 N ATOM 307 CA PHE X 22 45.253 4.885 -4.310 1.00 0.00 C ATOM 308 C PHE X 22 44.111 4.372 -5.152 1.00 0.00 C ATOM 309 O PHE X 22 43.119 5.079 -5.345 1.00 0.00 O ATOM 310 CB PHE X 22 45.196 4.248 -2.920 1.00 0.00 C ATOM 311 CG PHE X 22 46.242 4.748 -1.966 1.00 0.00 C ATOM 312 CD1 PHE X 22 47.588 4.654 -2.274 1.00 0.00 C ATOM 313 CD2 PHE X 22 45.874 5.305 -0.752 1.00 0.00 C ATOM 314 CE1 PHE X 22 48.547 5.107 -1.390 1.00 0.00 C ATOM 315 CE2 PHE X 22 46.830 5.761 0.135 1.00 0.00 C ATOM 316 CZ PHE X 22 48.169 5.660 -0.186 1.00 0.00 C ATOM 0 H PHE X 22 44.305 6.669 -3.779 1.00 0.00 H new ATOM 0 HA PHE X 22 46.212 4.619 -4.755 1.00 0.00 H new ATOM 0 HB2 PHE X 22 44.212 4.431 -2.490 1.00 0.00 H new ATOM 0 HB3 PHE X 22 45.302 3.168 -3.024 1.00 0.00 H new ATOM 0 HD1 PHE X 22 47.891 4.222 -3.216 1.00 0.00 H new ATOM 0 HD2 PHE X 22 44.828 5.384 -0.496 1.00 0.00 H new ATOM 0 HE1 PHE X 22 49.594 5.028 -1.642 1.00 0.00 H new ATOM 0 HE2 PHE X 22 46.531 6.195 1.077 1.00 0.00 H new ATOM 0 HZ PHE X 22 48.919 6.014 0.506 1.00 0.00 H new ATOM 326 N SER X 23 44.231 3.161 -5.657 1.00 0.00 N ATOM 327 CA SER X 23 43.179 2.609 -6.479 1.00 0.00 C ATOM 328 C SER X 23 42.991 1.128 -6.167 1.00 0.00 C ATOM 329 O SER X 23 43.106 0.713 -5.016 1.00 0.00 O ATOM 330 CB SER X 23 43.513 2.800 -7.965 1.00 0.00 C ATOM 331 OG SER X 23 43.876 4.143 -8.252 1.00 0.00 O ATOM 0 H SER X 23 45.035 2.549 -5.515 1.00 0.00 H new ATOM 0 HA SER X 23 42.249 3.134 -6.259 1.00 0.00 H new ATOM 0 HB2 SER X 23 44.330 2.134 -8.243 1.00 0.00 H new ATOM 0 HB3 SER X 23 42.652 2.518 -8.571 1.00 0.00 H new ATOM 0 HG SER X 23 44.084 4.229 -9.206 1.00 0.00 H new ATOM 337 N ASP X 24 42.834 0.322 -7.207 1.00 0.00 N ATOM 338 CA ASP X 24 42.796 -1.123 -7.054 1.00 0.00 C ATOM 339 C ASP X 24 43.895 -1.768 -7.887 1.00 0.00 C ATOM 340 O ASP X 24 43.965 -1.564 -9.101 1.00 0.00 O ATOM 341 CB ASP X 24 41.427 -1.692 -7.452 1.00 0.00 C ATOM 342 CG ASP X 24 40.984 -1.277 -8.837 1.00 0.00 C ATOM 343 OD1 ASP X 24 40.732 -0.077 -9.050 1.00 0.00 O ATOM 344 OD2 ASP X 24 40.889 -2.152 -9.714 1.00 0.00 O ATOM 0 H ASP X 24 42.731 0.647 -8.168 1.00 0.00 H new ATOM 0 HA ASP X 24 42.962 -1.354 -6.002 1.00 0.00 H new ATOM 0 HB2 ASP X 24 41.466 -2.780 -7.402 1.00 0.00 H new ATOM 0 HB3 ASP X 24 40.681 -1.366 -6.727 1.00 0.00 H new ATOM 349 N GLU X 25 44.768 -2.528 -7.232 1.00 0.00 N ATOM 350 CA GLU X 25 45.872 -3.184 -7.928 1.00 0.00 C ATOM 351 C GLU X 25 45.343 -4.265 -8.861 1.00 0.00 C ATOM 352 O GLU X 25 45.739 -4.359 -10.020 1.00 0.00 O ATOM 353 CB GLU X 25 46.858 -3.800 -6.931 1.00 0.00 C ATOM 354 CG GLU X 25 48.157 -4.274 -7.564 1.00 0.00 C ATOM 355 CD GLU X 25 48.911 -5.247 -6.689 1.00 0.00 C ATOM 356 OE1 GLU X 25 48.352 -5.688 -5.670 1.00 0.00 O ATOM 357 OE2 GLU X 25 50.054 -5.595 -7.034 1.00 0.00 O ATOM 0 H GLU X 25 44.734 -2.704 -6.228 1.00 0.00 H new ATOM 0 HA GLU X 25 46.395 -2.429 -8.514 1.00 0.00 H new ATOM 0 HB2 GLU X 25 47.088 -3.064 -6.160 1.00 0.00 H new ATOM 0 HB3 GLU X 25 46.378 -4.643 -6.434 1.00 0.00 H new ATOM 0 HG2 GLU X 25 47.938 -4.747 -8.521 1.00 0.00 H new ATOM 0 HG3 GLU X 25 48.791 -3.412 -7.772 1.00 0.00 H new ATOM 364 N GLY X 26 44.460 -5.089 -8.328 1.00 0.00 N ATOM 365 CA GLY X 26 43.896 -6.180 -9.103 1.00 0.00 C ATOM 366 C GLY X 26 42.383 -6.220 -9.054 1.00 0.00 C ATOM 367 O GLY X 26 41.775 -7.246 -9.354 1.00 0.00 O ATOM 0 H GLY X 26 44.119 -5.025 -7.369 1.00 0.00 H new ATOM 0 HA2 GLY X 26 44.218 -6.086 -10.140 1.00 0.00 H new ATOM 0 HA3 GLY X 26 44.291 -7.125 -8.731 1.00 0.00 H new ATOM 371 N GLY X 27 41.766 -5.099 -8.697 1.00 0.00 N ATOM 372 CA GLY X 27 40.313 -5.036 -8.655 1.00 0.00 C ATOM 373 C GLY X 27 39.748 -5.472 -7.320 1.00 0.00 C ATOM 374 O GLY X 27 38.536 -5.578 -7.154 1.00 0.00 O ATOM 0 H GLY X 27 42.242 -4.235 -8.437 1.00 0.00 H new ATOM 0 HA2 GLY X 27 39.991 -4.016 -8.865 1.00 0.00 H new ATOM 0 HA3 GLY X 27 39.903 -5.668 -9.442 1.00 0.00 H new ATOM 378 N TRP X 28 40.633 -5.743 -6.373 1.00 0.00 N ATOM 379 CA TRP X 28 40.238 -6.193 -5.050 1.00 0.00 C ATOM 380 C TRP X 28 39.676 -5.058 -4.206 1.00 0.00 C ATOM 381 O TRP X 28 39.296 -5.288 -3.068 1.00 0.00 O ATOM 382 CB TRP X 28 41.439 -6.800 -4.317 1.00 0.00 C ATOM 383 CG TRP X 28 42.647 -5.916 -4.358 1.00 0.00 C ATOM 384 CD1 TRP X 28 43.742 -6.072 -5.151 1.00 0.00 C ATOM 385 CD2 TRP X 28 42.865 -4.713 -3.605 1.00 0.00 C ATOM 386 NE1 TRP X 28 44.624 -5.049 -4.930 1.00 0.00 N ATOM 387 CE2 TRP X 28 44.108 -4.206 -3.992 1.00 0.00 C ATOM 388 CE3 TRP X 28 42.131 -4.019 -2.640 1.00 0.00 C ATOM 389 CZ2 TRP X 28 44.629 -3.040 -3.457 1.00 0.00 C ATOM 390 CZ3 TRP X 28 42.648 -2.859 -2.108 1.00 0.00 C ATOM 391 CH2 TRP X 28 43.888 -2.379 -2.518 1.00 0.00 C ATOM 0 H TRP X 28 41.641 -5.657 -6.500 1.00 0.00 H new ATOM 0 HA TRP X 28 39.458 -6.942 -5.188 1.00 0.00 H new ATOM 0 HB2 TRP X 28 41.168 -6.990 -3.279 1.00 0.00 H new ATOM 0 HB3 TRP X 28 41.683 -7.764 -4.764 1.00 0.00 H new ATOM 0 HD1 TRP X 28 43.892 -6.882 -5.850 1.00 0.00 H new ATOM 0 HE1 TRP X 28 45.525 -4.936 -5.394 1.00 0.00 H new ATOM 0 HE3 TRP X 28 41.169 -4.388 -2.315 1.00 0.00 H new ATOM 0 HZ2 TRP X 28 45.591 -2.664 -3.772 1.00 0.00 H new ATOM 0 HZ3 TRP X 28 42.085 -2.315 -1.364 1.00 0.00 H new ATOM 0 HH2 TRP X 28 44.272 -1.467 -2.086 1.00 0.00 H new ATOM 402 N LEU X 29 39.789 -3.820 -4.684 1.00 0.00 N ATOM 403 CA LEU X 29 39.449 -2.653 -3.861 1.00 0.00 C ATOM 404 C LEU X 29 38.033 -2.757 -3.285 1.00 0.00 C ATOM 405 O LEU X 29 37.769 -2.280 -2.181 1.00 0.00 O ATOM 406 CB LEU X 29 39.638 -1.358 -4.660 1.00 0.00 C ATOM 407 CG LEU X 29 39.191 -0.075 -3.956 1.00 0.00 C ATOM 408 CD1 LEU X 29 40.035 0.171 -2.719 1.00 0.00 C ATOM 409 CD2 LEU X 29 39.278 1.111 -4.901 1.00 0.00 C ATOM 0 H LEU X 29 40.109 -3.597 -5.626 1.00 0.00 H new ATOM 0 HA LEU X 29 40.133 -2.631 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU X 29 40.693 -1.261 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU X 29 39.089 -1.447 -5.597 1.00 0.00 H new ATOM 0 HG LEU X 29 38.152 -0.195 -3.650 1.00 0.00 H new ATOM 0 HD11 LEU X 29 39.705 1.087 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU X 29 39.926 -0.668 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU X 29 41.082 0.270 -3.007 1.00 0.00 H new ATOM 0 HD21 LEU X 29 38.956 2.014 -4.382 1.00 0.00 H new ATOM 0 HD22 LEU X 29 40.308 1.233 -5.238 1.00 0.00 H new ATOM 0 HD23 LEU X 29 38.633 0.938 -5.762 1.00 0.00 H new ATOM 421 N THR X 30 37.189 -3.535 -3.938 1.00 0.00 N ATOM 422 CA THR X 30 35.890 -3.866 -3.382 1.00 0.00 C ATOM 423 C THR X 30 35.999 -5.064 -2.427 1.00 0.00 C ATOM 424 O THR X 30 35.673 -4.951 -1.246 1.00 0.00 O ATOM 425 CB THR X 30 34.904 -4.166 -4.511 1.00 0.00 C ATOM 426 OG1 THR X 30 35.410 -5.180 -5.362 1.00 0.00 O ATOM 427 CG2 THR X 30 34.602 -2.964 -5.374 1.00 0.00 C ATOM 0 H THR X 30 37.379 -3.948 -4.851 1.00 0.00 H new ATOM 0 HA THR X 30 35.524 -3.012 -2.812 1.00 0.00 H new ATOM 0 HB THR X 30 33.986 -4.483 -4.015 1.00 0.00 H new ATOM 0 HG1 THR X 30 34.764 -5.359 -6.077 1.00 0.00 H new ATOM 0 HG21 THR X 30 33.896 -3.245 -6.156 1.00 0.00 H new ATOM 0 HG22 THR X 30 34.168 -2.175 -4.760 1.00 0.00 H new ATOM 0 HG23 THR X 30 35.524 -2.603 -5.830 1.00 0.00 H new ATOM 435 N ARG X 31 36.380 -6.223 -2.970 1.00 0.00 N ATOM 436 CA ARG X 31 36.435 -7.475 -2.206 1.00 0.00 C ATOM 437 C ARG X 31 37.335 -7.405 -0.966 1.00 0.00 C ATOM 438 O ARG X 31 36.945 -7.885 0.101 1.00 0.00 O ATOM 439 CB ARG X 31 36.866 -8.632 -3.107 1.00 0.00 C ATOM 440 CG ARG X 31 38.012 -8.308 -4.040 1.00 0.00 C ATOM 441 CD ARG X 31 38.482 -9.553 -4.761 1.00 0.00 C ATOM 442 NE ARG X 31 38.880 -10.600 -3.822 1.00 0.00 N ATOM 443 CZ ARG X 31 39.201 -11.842 -4.178 1.00 0.00 C ATOM 444 NH1 ARG X 31 39.216 -12.193 -5.457 1.00 0.00 N ATOM 445 NH2 ARG X 31 39.519 -12.727 -3.248 1.00 0.00 N ATOM 0 H ARG X 31 36.658 -6.322 -3.946 1.00 0.00 H new ATOM 0 HA ARG X 31 35.423 -7.647 -1.839 1.00 0.00 H new ATOM 0 HB2 ARG X 31 37.152 -9.477 -2.480 1.00 0.00 H new ATOM 0 HB3 ARG X 31 36.010 -8.952 -3.701 1.00 0.00 H new ATOM 0 HG2 ARG X 31 37.696 -7.559 -4.766 1.00 0.00 H new ATOM 0 HG3 ARG X 31 38.837 -7.876 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG X 31 37.685 -9.924 -5.405 1.00 0.00 H new ATOM 0 HD3 ARG X 31 39.324 -9.304 -5.408 1.00 0.00 H new ATOM 0 HE ARG X 31 38.914 -10.364 -2.830 1.00 0.00 H new ATOM 0 HH11 ARG X 31 38.980 -11.509 -6.176 1.00 0.00 H new ATOM 0 HH12 ARG X 31 39.463 -13.147 -5.721 1.00 0.00 H new ATOM 0 HH21 ARG X 31 39.517 -12.456 -2.265 1.00 0.00 H new ATOM 0 HH22 ARG X 31 39.766 -13.680 -3.514 1.00 0.00 H new ATOM 459 N LEU X 32 38.538 -6.843 -1.114 1.00 0.00 N ATOM 460 CA LEU X 32 39.499 -6.751 -0.011 1.00 0.00 C ATOM 461 C LEU X 32 38.859 -6.095 1.206 1.00 0.00 C ATOM 462 O LEU X 32 38.775 -6.698 2.275 1.00 0.00 O ATOM 463 CB LEU X 32 40.735 -5.950 -0.471 1.00 0.00 C ATOM 464 CG LEU X 32 41.974 -5.954 0.447 1.00 0.00 C ATOM 465 CD1 LEU X 32 41.788 -5.052 1.660 1.00 0.00 C ATOM 466 CD2 LEU X 32 42.314 -7.365 0.887 1.00 0.00 C ATOM 0 H LEU X 32 38.871 -6.443 -1.991 1.00 0.00 H new ATOM 0 HA LEU X 32 39.810 -7.756 0.274 1.00 0.00 H new ATOM 0 HB2 LEU X 32 41.039 -6.332 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU X 32 40.428 -4.914 -0.616 1.00 0.00 H new ATOM 0 HG LEU X 32 42.805 -5.556 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU X 32 42.685 -5.085 2.279 1.00 0.00 H new ATOM 0 HD12 LEU X 32 41.613 -4.028 1.329 1.00 0.00 H new ATOM 0 HD13 LEU X 32 40.933 -5.396 2.242 1.00 0.00 H new ATOM 0 HD21 LEU X 32 43.191 -7.343 1.534 1.00 0.00 H new ATOM 0 HD22 LEU X 32 41.471 -7.789 1.433 1.00 0.00 H new ATOM 0 HD23 LEU X 32 42.524 -7.979 0.011 1.00 0.00 H new ATOM 478 N LEU X 33 38.485 -4.830 1.062 1.00 0.00 N ATOM 479 CA LEU X 33 37.947 -4.063 2.177 1.00 0.00 C ATOM 480 C LEU X 33 36.608 -4.612 2.650 1.00 0.00 C ATOM 481 O LEU X 33 36.371 -4.706 3.844 1.00 0.00 O ATOM 482 CB LEU X 33 37.805 -2.581 1.810 1.00 0.00 C ATOM 483 CG LEU X 33 39.121 -1.812 1.637 1.00 0.00 C ATOM 484 CD1 LEU X 33 39.788 -2.154 0.315 1.00 0.00 C ATOM 485 CD2 LEU X 33 38.877 -0.317 1.737 1.00 0.00 C ATOM 0 H LEU X 33 38.544 -4.314 0.184 1.00 0.00 H new ATOM 0 HA LEU X 33 38.659 -4.157 2.997 1.00 0.00 H new ATOM 0 HB2 LEU X 33 37.237 -2.508 0.882 1.00 0.00 H new ATOM 0 HB3 LEU X 33 37.216 -2.088 2.584 1.00 0.00 H new ATOM 0 HG LEU X 33 39.794 -2.112 2.440 1.00 0.00 H new ATOM 0 HD11 LEU X 33 40.718 -1.594 0.221 1.00 0.00 H new ATOM 0 HD12 LEU X 33 40.003 -3.222 0.281 1.00 0.00 H new ATOM 0 HD13 LEU X 33 39.122 -1.892 -0.507 1.00 0.00 H new ATOM 0 HD21 LEU X 33 39.820 0.215 1.612 1.00 0.00 H new ATOM 0 HD22 LEU X 33 38.181 -0.009 0.957 1.00 0.00 H new ATOM 0 HD23 LEU X 33 38.454 -0.082 2.714 1.00 0.00 H new ATOM 497 N GLN X 34 35.729 -4.947 1.715 1.00 0.00 N ATOM 498 CA GLN X 34 34.393 -5.452 2.050 1.00 0.00 C ATOM 499 C GLN X 34 34.449 -6.667 2.980 1.00 0.00 C ATOM 500 O GLN X 34 33.614 -6.811 3.870 1.00 0.00 O ATOM 501 CB GLN X 34 33.659 -5.821 0.766 1.00 0.00 C ATOM 502 CG GLN X 34 32.394 -5.013 0.491 1.00 0.00 C ATOM 503 CD GLN X 34 32.660 -3.598 0.003 1.00 0.00 C ATOM 504 OE1 GLN X 34 33.846 -3.078 0.271 1.00 0.00 O flip ATOM 505 NE2 GLN X 34 31.786 -2.962 -0.585 1.00 0.00 N flip ATOM 0 H GLN X 34 35.913 -4.880 0.714 1.00 0.00 H new ATOM 0 HA GLN X 34 33.861 -4.662 2.579 1.00 0.00 H new ATOM 0 HB2 GLN X 34 34.342 -5.695 -0.074 1.00 0.00 H new ATOM 0 HB3 GLN X 34 33.395 -6.878 0.807 1.00 0.00 H new ATOM 0 HG2 GLN X 34 31.795 -5.537 -0.254 1.00 0.00 H new ATOM 0 HG3 GLN X 34 31.799 -4.966 1.403 1.00 0.00 H new ATOM 0 HE21 GLN X 34 30.882 -3.394 -0.776 1.00 0.00 H new ATOM 0 HE22 GLN X 34 31.966 -2.003 -0.882 1.00 0.00 H new ATOM 514 N THR X 35 35.414 -7.551 2.755 1.00 0.00 N ATOM 515 CA THR X 35 35.545 -8.759 3.560 1.00 0.00 C ATOM 516 C THR X 35 36.346 -8.481 4.836 1.00 0.00 C ATOM 517 O THR X 35 36.377 -9.293 5.762 1.00 0.00 O ATOM 518 CB THR X 35 36.208 -9.857 2.722 1.00 0.00 C ATOM 519 OG1 THR X 35 35.559 -9.972 1.466 1.00 0.00 O ATOM 520 CG2 THR X 35 36.183 -11.227 3.366 1.00 0.00 C ATOM 0 H THR X 35 36.117 -7.454 2.022 1.00 0.00 H new ATOM 0 HA THR X 35 34.554 -9.095 3.865 1.00 0.00 H new ATOM 0 HB THR X 35 37.249 -9.548 2.622 1.00 0.00 H new ATOM 0 HG1 THR X 35 35.933 -9.315 0.843 1.00 0.00 H new ATOM 0 HG21 THR X 35 36.672 -11.947 2.709 1.00 0.00 H new ATOM 0 HG22 THR X 35 36.709 -11.190 4.320 1.00 0.00 H new ATOM 0 HG23 THR X 35 35.150 -11.532 3.533 1.00 0.00 H new ATOM 528 N LYS X 36 36.985 -7.321 4.880 1.00 0.00 N ATOM 529 CA LYS X 36 37.780 -6.926 6.035 1.00 0.00 C ATOM 530 C LYS X 36 37.149 -5.748 6.766 1.00 0.00 C ATOM 531 O LYS X 36 37.858 -4.852 7.222 1.00 0.00 O ATOM 532 CB LYS X 36 39.201 -6.568 5.601 1.00 0.00 C ATOM 533 CG LYS X 36 39.966 -7.742 5.015 1.00 0.00 C ATOM 534 CD LYS X 36 41.389 -7.357 4.663 1.00 0.00 C ATOM 535 CE LYS X 36 42.241 -8.596 4.423 1.00 0.00 C ATOM 536 NZ LYS X 36 43.666 -8.273 4.139 1.00 0.00 N ATOM 0 H LYS X 36 36.968 -6.634 4.126 1.00 0.00 H new ATOM 0 HA LYS X 36 37.815 -7.772 6.721 1.00 0.00 H new ATOM 0 HB2 LYS X 36 39.157 -5.768 4.862 1.00 0.00 H new ATOM 0 HB3 LYS X 36 39.748 -6.179 6.460 1.00 0.00 H new ATOM 0 HG2 LYS X 36 39.977 -8.564 5.730 1.00 0.00 H new ATOM 0 HG3 LYS X 36 39.454 -8.102 4.123 1.00 0.00 H new ATOM 0 HD2 LYS X 36 41.391 -6.731 3.771 1.00 0.00 H new ATOM 0 HD3 LYS X 36 41.820 -6.764 5.470 1.00 0.00 H new ATOM 0 HE2 LYS X 36 42.188 -9.243 5.299 1.00 0.00 H new ATOM 0 HE3 LYS X 36 41.827 -9.159 3.586 1.00 0.00 H new ATOM 0 HZ1 LYS X 36 44.112 -9.073 3.646 1.00 0.00 H new ATOM 0 HZ2 LYS X 36 43.717 -7.425 3.539 1.00 0.00 H new ATOM 0 HZ3 LYS X 36 44.166 -8.095 5.033 1.00 0.00 H new ATOM 550 N ASN X 37 35.812 -5.753 6.841 1.00 0.00 N ATOM 551 CA ASN X 37 35.025 -4.680 7.478 1.00 0.00 C ATOM 552 C ASN X 37 35.527 -3.280 7.111 1.00 0.00 C ATOM 553 O ASN X 37 35.541 -2.375 7.952 1.00 0.00 O ATOM 554 CB ASN X 37 34.941 -4.840 9.014 1.00 0.00 C ATOM 555 CG ASN X 37 36.285 -4.947 9.720 1.00 0.00 C ATOM 556 OD1 ASN X 37 36.916 -6.005 9.724 1.00 0.00 O ATOM 557 ND2 ASN X 37 36.734 -3.853 10.319 1.00 0.00 N ATOM 0 H ASN X 37 35.238 -6.505 6.460 1.00 0.00 H new ATOM 0 HA ASN X 37 34.017 -4.784 7.076 1.00 0.00 H new ATOM 0 HB2 ASN X 37 34.398 -3.989 9.424 1.00 0.00 H new ATOM 0 HB3 ASN X 37 34.356 -5.731 9.241 1.00 0.00 H new ATOM 0 HD21 ASN X 37 37.631 -3.869 10.805 1.00 0.00 H new ATOM 0 HD22 ASN X 37 36.183 -2.995 10.294 1.00 0.00 H new ATOM 564 N TYR X 38 35.888 -3.110 5.833 1.00 0.00 N ATOM 565 CA TYR X 38 36.346 -1.830 5.292 1.00 0.00 C ATOM 566 C TYR X 38 37.646 -1.402 5.953 1.00 0.00 C ATOM 567 O TYR X 38 37.685 -0.459 6.748 1.00 0.00 O ATOM 568 CB TYR X 38 35.253 -0.763 5.435 1.00 0.00 C ATOM 569 CG TYR X 38 33.958 -1.179 4.780 1.00 0.00 C ATOM 570 CD1 TYR X 38 33.855 -1.269 3.402 1.00 0.00 C ATOM 571 CD2 TYR X 38 32.848 -1.508 5.543 1.00 0.00 C ATOM 572 CE1 TYR X 38 32.680 -1.672 2.802 1.00 0.00 C ATOM 573 CE2 TYR X 38 31.669 -1.911 4.948 1.00 0.00 C ATOM 574 CZ TYR X 38 31.592 -1.990 3.577 1.00 0.00 C ATOM 575 OH TYR X 38 30.423 -2.390 2.978 1.00 0.00 O ATOM 0 H TYR X 38 35.869 -3.862 5.144 1.00 0.00 H new ATOM 0 HA TYR X 38 36.548 -1.951 4.228 1.00 0.00 H new ATOM 0 HB2 TYR X 38 35.076 -0.567 6.492 1.00 0.00 H new ATOM 0 HB3 TYR X 38 35.599 0.170 4.991 1.00 0.00 H new ATOM 0 HD1 TYR X 38 34.708 -1.020 2.788 1.00 0.00 H new ATOM 0 HD2 TYR X 38 32.907 -1.448 6.620 1.00 0.00 H new ATOM 0 HE1 TYR X 38 32.616 -1.737 1.726 1.00 0.00 H new ATOM 0 HE2 TYR X 38 30.812 -2.163 5.556 1.00 0.00 H new ATOM 0 HH TYR X 38 29.751 -2.579 3.666 1.00 0.00 H new ATOM 585 N ASP X 39 38.696 -2.160 5.662 1.00 0.00 N ATOM 586 CA ASP X 39 40.001 -1.932 6.273 1.00 0.00 C ATOM 587 C ASP X 39 40.961 -1.296 5.289 1.00 0.00 C ATOM 588 O ASP X 39 41.376 -1.940 4.326 1.00 0.00 O ATOM 589 CB ASP X 39 40.601 -3.253 6.751 1.00 0.00 C ATOM 590 CG ASP X 39 41.768 -3.061 7.689 1.00 0.00 C ATOM 591 OD1 ASP X 39 41.997 -1.918 8.128 1.00 0.00 O ATOM 592 OD2 ASP X 39 42.440 -4.060 8.007 1.00 0.00 O ATOM 0 H ASP X 39 38.670 -2.940 5.005 1.00 0.00 H new ATOM 0 HA ASP X 39 39.853 -1.260 7.118 1.00 0.00 H new ATOM 0 HB2 ASP X 39 39.829 -3.836 7.253 1.00 0.00 H new ATOM 0 HB3 ASP X 39 40.927 -3.832 5.887 1.00 0.00 H new ATOM 597 N ILE X 40 41.451 -0.116 5.630 1.00 0.00 N ATOM 598 CA ILE X 40 42.521 0.494 4.871 1.00 0.00 C ATOM 599 C ILE X 40 43.866 0.100 5.452 1.00 0.00 C ATOM 600 O ILE X 40 44.905 0.306 4.836 1.00 0.00 O ATOM 601 CB ILE X 40 42.413 2.035 4.804 1.00 0.00 C ATOM 602 CG1 ILE X 40 42.116 2.651 6.183 1.00 0.00 C ATOM 603 CG2 ILE X 40 41.347 2.432 3.798 1.00 0.00 C ATOM 604 CD1 ILE X 40 40.638 2.780 6.502 1.00 0.00 C ATOM 0 H ILE X 40 41.124 0.434 6.425 1.00 0.00 H new ATOM 0 HA ILE X 40 42.430 0.122 3.851 1.00 0.00 H new ATOM 0 HB ILE X 40 43.377 2.427 4.481 1.00 0.00 H new ATOM 0 HG12 ILE X 40 42.590 2.040 6.951 1.00 0.00 H new ATOM 0 HG13 ILE X 40 42.575 3.639 6.234 1.00 0.00 H new ATOM 0 HG21 ILE X 40 41.275 3.519 3.754 1.00 0.00 H new ATOM 0 HG22 ILE X 40 41.614 2.046 2.814 1.00 0.00 H new ATOM 0 HG23 ILE X 40 40.386 2.016 4.103 1.00 0.00 H new ATOM 0 HD11 ILE X 40 40.516 3.222 7.491 1.00 0.00 H new ATOM 0 HD12 ILE X 40 40.159 3.417 5.758 1.00 0.00 H new ATOM 0 HD13 ILE X 40 40.175 1.793 6.487 1.00 0.00 H new ATOM 616 N GLY X 41 43.831 -0.533 6.615 1.00 0.00 N ATOM 617 CA GLY X 41 45.050 -1.010 7.224 1.00 0.00 C ATOM 618 C GLY X 41 45.656 -2.140 6.435 1.00 0.00 C ATOM 619 O GLY X 41 46.872 -2.237 6.285 1.00 0.00 O ATOM 0 H GLY X 41 42.981 -0.724 7.145 1.00 0.00 H new ATOM 0 HA2 GLY X 41 45.766 -0.191 7.297 1.00 0.00 H new ATOM 0 HA3 GLY X 41 44.843 -1.345 8.241 1.00 0.00 H new ATOM 623 N ALA X 42 44.785 -2.947 5.860 1.00 0.00 N ATOM 624 CA ALA X 42 45.206 -4.034 4.996 1.00 0.00 C ATOM 625 C ALA X 42 45.083 -3.644 3.530 1.00 0.00 C ATOM 626 O ALA X 42 45.621 -4.315 2.654 1.00 0.00 O ATOM 627 CB ALA X 42 44.392 -5.282 5.286 1.00 0.00 C ATOM 0 H ALA X 42 43.775 -2.869 5.977 1.00 0.00 H new ATOM 0 HA ALA X 42 46.255 -4.246 5.200 1.00 0.00 H new ATOM 0 HB1 ALA X 42 44.718 -6.090 4.631 1.00 0.00 H new ATOM 0 HB2 ALA X 42 44.536 -5.577 6.325 1.00 0.00 H new ATOM 0 HB3 ALA X 42 43.336 -5.077 5.111 1.00 0.00 H new ATOM 633 N ALA X 43 44.357 -2.565 3.268 1.00 0.00 N ATOM 634 CA ALA X 43 44.148 -2.098 1.900 1.00 0.00 C ATOM 635 C ALA X 43 45.389 -1.403 1.359 1.00 0.00 C ATOM 636 O ALA X 43 45.708 -1.516 0.180 1.00 0.00 O ATOM 637 CB ALA X 43 42.953 -1.167 1.829 1.00 0.00 C ATOM 0 H ALA X 43 43.903 -1.996 3.982 1.00 0.00 H new ATOM 0 HA ALA X 43 43.950 -2.971 1.279 1.00 0.00 H new ATOM 0 HB1 ALA X 43 42.815 -0.830 0.802 1.00 0.00 H new ATOM 0 HB2 ALA X 43 42.060 -1.696 2.161 1.00 0.00 H new ATOM 0 HB3 ALA X 43 43.125 -0.305 2.473 1.00 0.00 H new ATOM 643 N LEU X 44 46.115 -0.723 2.237 1.00 0.00 N ATOM 644 CA LEU X 44 47.354 -0.066 1.842 1.00 0.00 C ATOM 645 C LEU X 44 48.444 -1.104 1.608 1.00 0.00 C ATOM 646 O LEU X 44 49.356 -0.894 0.812 1.00 0.00 O ATOM 647 CB LEU X 44 47.796 0.953 2.898 1.00 0.00 C ATOM 648 CG LEU X 44 47.183 2.356 2.759 1.00 0.00 C ATOM 649 CD1 LEU X 44 45.662 2.310 2.822 1.00 0.00 C ATOM 650 CD2 LEU X 44 47.729 3.280 3.837 1.00 0.00 C ATOM 0 H LEU X 44 45.870 -0.612 3.221 1.00 0.00 H new ATOM 0 HA LEU X 44 47.177 0.473 0.912 1.00 0.00 H new ATOM 0 HB2 LEU X 44 47.545 0.561 3.884 1.00 0.00 H new ATOM 0 HB3 LEU X 44 48.881 1.044 2.858 1.00 0.00 H new ATOM 0 HG LEU X 44 47.464 2.746 1.781 1.00 0.00 H new ATOM 0 HD11 LEU X 44 45.263 3.319 2.720 1.00 0.00 H new ATOM 0 HD12 LEU X 44 45.283 1.687 2.012 1.00 0.00 H new ATOM 0 HD13 LEU X 44 45.350 1.891 3.779 1.00 0.00 H new ATOM 0 HD21 LEU X 44 47.286 4.270 3.726 1.00 0.00 H new ATOM 0 HD22 LEU X 44 47.481 2.879 4.820 1.00 0.00 H new ATOM 0 HD23 LEU X 44 48.812 3.354 3.739 1.00 0.00 H new ATOM 662 N ASP X 45 48.274 -2.261 2.236 1.00 0.00 N ATOM 663 CA ASP X 45 49.165 -3.397 2.037 1.00 0.00 C ATOM 664 C ASP X 45 49.013 -3.973 0.628 1.00 0.00 C ATOM 665 O ASP X 45 49.909 -4.645 0.116 1.00 0.00 O ATOM 666 CB ASP X 45 48.849 -4.471 3.086 1.00 0.00 C ATOM 667 CG ASP X 45 49.562 -5.780 2.839 1.00 0.00 C ATOM 668 OD1 ASP X 45 50.804 -5.807 2.908 1.00 0.00 O ATOM 669 OD2 ASP X 45 48.874 -6.788 2.580 1.00 0.00 O ATOM 0 H ASP X 45 47.517 -2.438 2.896 1.00 0.00 H new ATOM 0 HA ASP X 45 50.196 -3.063 2.150 1.00 0.00 H new ATOM 0 HB2 ASP X 45 49.124 -4.097 4.072 1.00 0.00 H new ATOM 0 HB3 ASP X 45 47.774 -4.649 3.101 1.00 0.00 H new ATOM 674 N THR X 46 47.828 -3.835 0.063 1.00 0.00 N ATOM 675 CA THR X 46 47.535 -4.483 -1.202 1.00 0.00 C ATOM 676 C THR X 46 47.711 -3.571 -2.430 1.00 0.00 C ATOM 677 O THR X 46 47.749 -4.075 -3.549 1.00 0.00 O ATOM 678 CB THR X 46 46.128 -5.087 -1.162 1.00 0.00 C ATOM 679 OG1 THR X 46 45.202 -4.171 -0.616 1.00 0.00 O ATOM 680 CG2 THR X 46 46.040 -6.355 -0.343 1.00 0.00 C ATOM 0 H THR X 46 47.061 -3.287 0.454 1.00 0.00 H new ATOM 0 HA THR X 46 48.275 -5.274 -1.325 1.00 0.00 H new ATOM 0 HB THR X 46 45.892 -5.322 -2.200 1.00 0.00 H new ATOM 0 HG1 THR X 46 44.584 -3.874 -1.316 1.00 0.00 H new ATOM 0 HG21 THR X 46 45.016 -6.728 -0.358 1.00 0.00 H new ATOM 0 HG22 THR X 46 46.706 -7.108 -0.765 1.00 0.00 H new ATOM 0 HG23 THR X 46 46.334 -6.145 0.685 1.00 0.00 H new ATOM 688 N ILE X 47 47.806 -2.243 -2.264 1.00 0.00 N ATOM 689 CA ILE X 47 47.961 -1.383 -3.451 1.00 0.00 C ATOM 690 C ILE X 47 49.412 -0.990 -3.721 1.00 0.00 C ATOM 691 O ILE X 47 49.780 -0.780 -4.874 1.00 0.00 O ATOM 692 CB ILE X 47 47.123 -0.071 -3.384 1.00 0.00 C ATOM 693 CG1 ILE X 47 46.896 0.398 -1.946 1.00 0.00 C ATOM 694 CG2 ILE X 47 45.799 -0.213 -4.112 1.00 0.00 C ATOM 695 CD1 ILE X 47 48.079 1.122 -1.345 1.00 0.00 C ATOM 0 H ILE X 47 47.780 -1.758 -1.367 1.00 0.00 H new ATOM 0 HA ILE X 47 47.589 -2.007 -4.264 1.00 0.00 H new ATOM 0 HB ILE X 47 47.711 0.694 -3.892 1.00 0.00 H new ATOM 0 HG12 ILE X 47 46.028 1.057 -1.922 1.00 0.00 H new ATOM 0 HG13 ILE X 47 46.658 -0.466 -1.326 1.00 0.00 H new ATOM 0 HG21 ILE X 47 45.244 0.722 -4.043 1.00 0.00 H new ATOM 0 HG22 ILE X 47 45.984 -0.449 -5.160 1.00 0.00 H new ATOM 0 HG23 ILE X 47 45.218 -1.015 -3.657 1.00 0.00 H new ATOM 0 HD11 ILE X 47 47.841 1.423 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE X 47 48.945 0.460 -1.336 1.00 0.00 H new ATOM 0 HD13 ILE X 47 48.305 2.006 -1.941 1.00 0.00 H new ATOM 707 N GLN X 48 50.234 -0.913 -2.678 1.00 0.00 N ATOM 708 CA GLN X 48 51.647 -0.547 -2.831 1.00 0.00 C ATOM 709 C GLN X 48 52.444 -0.973 -1.610 1.00 0.00 C ATOM 710 O GLN X 48 53.437 -1.692 -1.720 1.00 0.00 O ATOM 711 CB GLN X 48 51.824 0.975 -3.011 1.00 0.00 C ATOM 712 CG GLN X 48 51.450 1.515 -4.385 1.00 0.00 C ATOM 713 CD GLN X 48 50.242 2.432 -4.345 1.00 0.00 C ATOM 714 OE1 GLN X 48 50.251 3.456 -3.663 1.00 0.00 O ATOM 715 NE2 GLN X 48 49.195 2.068 -5.074 1.00 0.00 N ATOM 0 H GLN X 48 49.950 -1.098 -1.716 1.00 0.00 H new ATOM 0 HA GLN X 48 52.011 -1.061 -3.721 1.00 0.00 H new ATOM 0 HB2 GLN X 48 51.220 1.486 -2.261 1.00 0.00 H new ATOM 0 HB3 GLN X 48 52.864 1.230 -2.809 1.00 0.00 H new ATOM 0 HG2 GLN X 48 52.299 2.057 -4.801 1.00 0.00 H new ATOM 0 HG3 GLN X 48 51.245 0.680 -5.055 1.00 0.00 H new ATOM 0 HE21 GLN X 48 49.231 1.210 -5.625 1.00 0.00 H new ATOM 0 HE22 GLN X 48 48.354 2.646 -5.083 1.00 0.00 H new ATOM 724 N TYR X 49 52.042 -0.444 -0.459 1.00 0.00 N ATOM 725 CA TYR X 49 52.749 -0.671 0.795 1.00 0.00 C ATOM 726 C TYR X 49 52.582 -2.110 1.260 1.00 0.00 C ATOM 727 O TYR X 49 51.970 -2.921 0.572 1.00 0.00 O ATOM 728 CB TYR X 49 52.224 0.298 1.855 1.00 0.00 C ATOM 729 CG TYR X 49 52.199 1.731 1.375 1.00 0.00 C ATOM 730 CD1 TYR X 49 53.363 2.364 0.959 1.00 0.00 C ATOM 731 CD2 TYR X 49 51.010 2.443 1.316 1.00 0.00 C ATOM 732 CE1 TYR X 49 53.343 3.664 0.499 1.00 0.00 C ATOM 733 CE2 TYR X 49 50.982 3.745 0.859 1.00 0.00 C ATOM 734 CZ TYR X 49 52.151 4.350 0.451 1.00 0.00 C ATOM 735 OH TYR X 49 52.124 5.644 -0.011 1.00 0.00 O ATOM 0 H TYR X 49 51.219 0.152 -0.370 1.00 0.00 H new ATOM 0 HA TYR X 49 53.813 -0.494 0.638 1.00 0.00 H new ATOM 0 HB2 TYR X 49 51.217 -0.000 2.147 1.00 0.00 H new ATOM 0 HB3 TYR X 49 52.848 0.228 2.746 1.00 0.00 H new ATOM 0 HD1 TYR X 49 54.300 1.829 0.996 1.00 0.00 H new ATOM 0 HD2 TYR X 49 50.092 1.971 1.633 1.00 0.00 H new ATOM 0 HE1 TYR X 49 54.257 4.141 0.178 1.00 0.00 H new ATOM 0 HE2 TYR X 49 50.049 4.287 0.821 1.00 0.00 H new ATOM 0 HH TYR X 49 51.205 5.983 0.019 1.00 0.00 H new ATOM 745 N SER X 50 53.167 -2.437 2.403 1.00 0.00 N ATOM 746 CA SER X 50 53.109 -3.804 2.918 1.00 0.00 C ATOM 747 C SER X 50 53.236 -3.833 4.438 1.00 0.00 C ATOM 748 O SER X 50 53.655 -4.837 5.017 1.00 0.00 O ATOM 749 CB SER X 50 54.220 -4.654 2.295 1.00 0.00 C ATOM 750 OG SER X 50 54.152 -4.628 0.877 1.00 0.00 O ATOM 0 H SER X 50 53.684 -1.783 2.990 1.00 0.00 H new ATOM 0 HA SER X 50 52.138 -4.217 2.646 1.00 0.00 H new ATOM 0 HB2 SER X 50 55.192 -4.284 2.622 1.00 0.00 H new ATOM 0 HB3 SER X 50 54.136 -5.682 2.647 1.00 0.00 H new ATOM 0 HG SER X 50 54.873 -5.177 0.505 1.00 0.00 H new ATOM 756 N LYS X 51 52.841 -2.746 5.087 1.00 0.00 N ATOM 757 CA LYS X 51 52.874 -2.669 6.538 1.00 0.00 C ATOM 758 C LYS X 51 51.553 -2.128 7.043 1.00 0.00 C ATOM 759 O LYS X 51 51.056 -1.120 6.536 1.00 0.00 O ATOM 760 CB LYS X 51 54.027 -1.780 7.028 1.00 0.00 C ATOM 761 CG LYS X 51 55.412 -2.417 6.938 1.00 0.00 C ATOM 762 CD LYS X 51 55.975 -2.383 5.525 1.00 0.00 C ATOM 763 CE LYS X 51 57.344 -3.043 5.458 1.00 0.00 C ATOM 764 NZ LYS X 51 57.930 -2.987 4.091 1.00 0.00 N ATOM 0 H LYS X 51 52.493 -1.904 4.628 1.00 0.00 H new ATOM 0 HA LYS X 51 53.038 -3.672 6.931 1.00 0.00 H new ATOM 0 HB2 LYS X 51 54.028 -0.858 6.446 1.00 0.00 H new ATOM 0 HB3 LYS X 51 53.837 -1.502 8.065 1.00 0.00 H new ATOM 0 HG2 LYS X 51 56.093 -1.895 7.610 1.00 0.00 H new ATOM 0 HG3 LYS X 51 55.356 -3.451 7.279 1.00 0.00 H new ATOM 0 HD2 LYS X 51 55.290 -2.892 4.846 1.00 0.00 H new ATOM 0 HD3 LYS X 51 56.050 -1.350 5.186 1.00 0.00 H new ATOM 0 HE2 LYS X 51 58.017 -2.551 6.160 1.00 0.00 H new ATOM 0 HE3 LYS X 51 57.260 -4.083 5.773 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 58.862 -3.449 4.094 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 57.302 -3.479 3.424 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 58.036 -1.994 3.799 1.00 0.00 H new ATOM 778 N HIS X 52 50.963 -2.824 7.999 1.00 0.00 N ATOM 779 CA HIS X 52 49.663 -2.439 8.525 1.00 0.00 C ATOM 780 C HIS X 52 49.804 -1.302 9.528 1.00 0.00 C ATOM 781 O HIS X 52 48.845 -0.525 9.688 1.00 0.00 O ATOM 782 CB HIS X 52 48.972 -3.630 9.197 1.00 0.00 C ATOM 783 CG HIS X 52 48.616 -4.749 8.264 1.00 0.00 C ATOM 784 ND1 HIS X 52 48.112 -5.963 8.681 1.00 0.00 N ATOM 785 CD2 HIS X 52 48.689 -4.820 6.911 1.00 0.00 C ATOM 786 CE1 HIS X 52 47.901 -6.716 7.595 1.00 0.00 C ATOM 787 NE2 HIS X 52 48.232 -6.069 6.495 1.00 0.00 N ATOM 788 OXT HIS X 52 50.875 -1.200 10.155 1.00 0.00 O ATOM 0 H HIS X 52 51.363 -3.659 8.428 1.00 0.00 H new ATOM 0 HA HIS X 52 49.053 -2.102 7.687 1.00 0.00 H new ATOM 0 HB2 HIS X 52 49.625 -4.019 9.979 1.00 0.00 H new ATOM 0 HB3 HIS X 52 48.064 -3.278 9.686 1.00 0.00 H new ATOM 0 HD2 HIS X 52 49.044 -4.034 6.261 1.00 0.00 H new ATOM 0 HE1 HIS X 52 47.510 -7.723 7.617 1.00 0.00 H new ATOM 0 HE2 HIS X 52 48.167 -6.412 5.537 1.00 0.00 H new TER 796 HIS X 52