USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 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 67 LYS NZ :NH3+ -163:sc= 0.355 (180deg=-0.655) USER MOD Set 1.2: A 68 SER OG : rot -153:sc= 0.511 USER MOD Single : A 1 ALA N :NH3+ -108:sc= 0.106 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 76:sc= 0.925 USER MOD Single : A 7 THR OG1 : rot 36:sc= 0.0188 USER MOD Single : A 16 THR OG1 : rot 74:sc= 0.635 USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.417 K(o=-0.42,f=-4.8!) USER MOD Single : A 33 SER OG : rot 12:sc= 0.395 USER MOD Single : A 36 SER OG : rot 180:sc=-0.00446 USER MOD Single : A 39 SER OG : rot 58:sc= -0.018 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 60 THR OG1 : rot -62:sc= 1.22 USER MOD Single : A 61 TYR OH : rot -179:sc= 1.02 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.82 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.765 16.742 -5.773 1.00 25.00 N ATOM 2 CA ALA A 1 12.330 16.399 -5.998 1.00 25.00 C ATOM 3 C ALA A 1 11.831 15.508 -4.877 1.00 25.00 C ATOM 4 O ALA A 1 12.631 14.865 -4.212 1.00 25.00 O ATOM 5 CB ALA A 1 12.149 15.694 -7.367 1.00 25.00 C ATOM 0 H1 ALA A 1 13.843 17.740 -5.490 1.00 25.00 H new ATOM 0 H2 ALA A 1 14.153 16.137 -5.021 1.00 25.00 H new ATOM 0 H3 ALA A 1 14.301 16.588 -6.651 1.00 25.00 H new ATOM 0 HA ALA A 1 11.746 17.319 -6.006 1.00 25.00 H new ATOM 0 HB1 ALA A 1 11.097 15.451 -7.515 1.00 25.00 H new ATOM 0 HB2 ALA A 1 12.484 16.357 -8.165 1.00 25.00 H new ATOM 0 HB3 ALA A 1 12.739 14.778 -7.385 1.00 25.00 H new ATOM 13 N TYR A 2 10.522 15.487 -4.667 1.00 25.00 N ATOM 14 CA TYR A 2 9.912 14.667 -3.623 1.00 25.00 C ATOM 15 C TYR A 2 10.108 13.175 -3.909 1.00 25.00 C ATOM 16 O TYR A 2 10.191 12.763 -5.067 1.00 25.00 O ATOM 17 CB TYR A 2 8.413 14.989 -3.551 1.00 25.00 C ATOM 18 CG TYR A 2 7.690 14.267 -2.434 1.00 25.00 C ATOM 19 CD1 TYR A 2 7.880 14.646 -1.088 1.00 25.00 C ATOM 20 CD2 TYR A 2 6.809 13.199 -2.713 1.00 25.00 C ATOM 21 CE1 TYR A 2 7.212 13.962 -0.039 1.00 25.00 C ATOM 22 CE2 TYR A 2 6.138 12.513 -1.661 1.00 25.00 C ATOM 23 CZ TYR A 2 6.354 12.902 -0.334 1.00 25.00 C ATOM 24 OH TYR A 2 5.727 12.247 0.694 1.00 25.00 O ATOM 0 H TYR A 2 9.854 16.034 -5.211 1.00 25.00 H new ATOM 0 HA TYR A 2 10.392 14.893 -2.671 1.00 25.00 H new ATOM 0 HB2 TYR A 2 8.287 16.064 -3.419 1.00 25.00 H new ATOM 0 HB3 TYR A 2 7.948 14.728 -4.502 1.00 25.00 H new ATOM 0 HD1 TYR A 2 8.542 15.467 -0.853 1.00 25.00 H new ATOM 0 HD2 TYR A 2 6.642 12.899 -3.737 1.00 25.00 H new ATOM 0 HE1 TYR A 2 7.368 14.262 0.987 1.00 25.00 H new ATOM 0 HE2 TYR A 2 5.467 11.698 -1.886 1.00 25.00 H new ATOM 0 HH TYR A 2 5.161 11.534 0.331 1.00 25.00 H new ATOM 34 N ARG A 3 10.156 12.376 -2.851 1.00 25.00 N ATOM 35 CA ARG A 3 10.224 10.918 -2.946 1.00 25.00 C ATOM 36 C ARG A 3 9.172 10.429 -1.966 1.00 25.00 C ATOM 37 O ARG A 3 8.908 11.117 -0.990 1.00 25.00 O ATOM 38 CB ARG A 3 11.603 10.401 -2.519 1.00 25.00 C ATOM 39 CG ARG A 3 12.681 10.556 -3.573 1.00 25.00 C ATOM 40 CD ARG A 3 13.972 9.899 -3.096 1.00 25.00 C ATOM 41 NE ARG A 3 15.010 9.891 -4.141 1.00 25.00 N ATOM 42 CZ ARG A 3 16.215 9.341 -4.018 1.00 25.00 C ATOM 43 NH1 ARG A 3 16.605 8.749 -2.915 1.00 25.00 N ATOM 44 NH2 ARG A 3 17.042 9.384 -5.025 1.00 25.00 N ATOM 0 H ARG A 3 10.149 12.722 -1.892 1.00 25.00 H new ATOM 0 HA ARG A 3 10.059 10.570 -3.966 1.00 25.00 H new ATOM 0 HB2 ARG A 3 11.913 10.930 -1.618 1.00 25.00 H new ATOM 0 HB3 ARG A 3 11.517 9.347 -2.256 1.00 25.00 H new ATOM 0 HG2 ARG A 3 12.355 10.101 -4.508 1.00 25.00 H new ATOM 0 HG3 ARG A 3 12.854 11.613 -3.776 1.00 25.00 H new ATOM 0 HD2 ARG A 3 14.345 10.429 -2.219 1.00 25.00 H new ATOM 0 HD3 ARG A 3 13.764 8.875 -2.785 1.00 25.00 H new ATOM 0 HE ARG A 3 14.788 10.342 -5.028 1.00 25.00 H new ATOM 0 HH11 ARG A 3 15.976 8.699 -2.113 1.00 25.00 H new ATOM 0 HH12 ARG A 3 17.537 8.339 -2.859 1.00 25.00 H new ATOM 0 HH21 ARG A 3 16.762 9.836 -5.896 1.00 25.00 H new ATOM 0 HH22 ARG A 3 17.969 8.966 -4.942 1.00 25.00 H new ATOM 58 N PRO A 4 8.595 9.230 -2.184 1.00 25.00 N ATOM 59 CA PRO A 4 7.577 8.755 -1.233 1.00 25.00 C ATOM 60 C PRO A 4 8.129 8.489 0.166 1.00 25.00 C ATOM 61 O PRO A 4 7.396 8.550 1.133 1.00 25.00 O ATOM 62 CB PRO A 4 7.067 7.469 -1.891 1.00 25.00 C ATOM 63 CG PRO A 4 8.211 6.992 -2.706 1.00 25.00 C ATOM 64 CD PRO A 4 8.802 8.257 -3.273 1.00 25.00 C ATOM 0 HA PRO A 4 6.800 9.500 -1.061 1.00 25.00 H new ATOM 0 HB2 PRO A 4 6.775 6.730 -1.145 1.00 25.00 H new ATOM 0 HB3 PRO A 4 6.191 7.660 -2.510 1.00 25.00 H new ATOM 0 HG2 PRO A 4 8.936 6.449 -2.099 1.00 25.00 H new ATOM 0 HG3 PRO A 4 7.885 6.314 -3.495 1.00 25.00 H new ATOM 0 HD2 PRO A 4 9.858 8.138 -3.514 1.00 25.00 H new ATOM 0 HD3 PRO A 4 8.299 8.563 -4.190 1.00 25.00 H new ATOM 72 N SER A 5 9.438 8.267 0.249 1.00 25.00 N ATOM 73 CA SER A 5 10.160 8.205 1.522 1.00 25.00 C ATOM 74 C SER A 5 9.563 7.276 2.585 1.00 25.00 C ATOM 75 O SER A 5 9.138 7.724 3.636 1.00 25.00 O ATOM 76 CB SER A 5 10.273 9.621 2.083 1.00 25.00 C ATOM 77 OG SER A 5 10.752 10.500 1.073 1.00 25.00 O ATOM 0 H SER A 5 10.033 8.124 -0.567 1.00 25.00 H new ATOM 0 HA SER A 5 11.132 7.768 1.291 1.00 25.00 H new ATOM 0 HB2 SER A 5 9.301 9.959 2.442 1.00 25.00 H new ATOM 0 HB3 SER A 5 10.949 9.631 2.938 1.00 25.00 H new ATOM 0 HG SER A 5 10.028 10.701 0.444 1.00 25.00 H new ATOM 83 N GLU A 6 9.623 5.973 2.334 1.00 25.00 N ATOM 84 CA GLU A 6 9.185 4.942 3.298 1.00 25.00 C ATOM 85 C GLU A 6 10.151 4.788 4.499 1.00 25.00 C ATOM 86 O GLU A 6 10.263 3.719 5.098 1.00 25.00 O ATOM 87 CB GLU A 6 9.052 3.596 2.566 1.00 25.00 C ATOM 88 CG GLU A 6 10.376 3.066 1.978 1.00 25.00 C ATOM 89 CD GLU A 6 10.188 1.821 1.162 1.00 25.00 C ATOM 90 OE1 GLU A 6 10.441 1.752 -0.009 1.00 25.00 O ATOM 91 OE2 GLU A 6 9.740 0.824 1.835 1.00 25.00 O ATOM 0 H GLU A 6 9.976 5.590 1.457 1.00 25.00 H new ATOM 0 HA GLU A 6 8.225 5.261 3.704 1.00 25.00 H new ATOM 0 HB2 GLU A 6 8.652 2.856 3.259 1.00 25.00 H new ATOM 0 HB3 GLU A 6 8.326 3.703 1.760 1.00 25.00 H new ATOM 0 HG2 GLU A 6 10.828 3.839 1.356 1.00 25.00 H new ATOM 0 HG3 GLU A 6 11.074 2.862 2.790 1.00 25.00 H new ATOM 98 N THR A 7 10.882 5.848 4.797 1.00 25.00 N ATOM 99 CA THR A 7 11.875 5.866 5.860 1.00 25.00 C ATOM 100 C THR A 7 11.774 7.186 6.589 1.00 25.00 C ATOM 101 O THR A 7 11.604 8.238 5.966 1.00 25.00 O ATOM 102 CB THR A 7 13.304 5.772 5.298 1.00 25.00 C ATOM 103 OG1 THR A 7 13.437 6.682 4.198 1.00 25.00 O ATOM 104 CG2 THR A 7 13.604 4.383 4.813 1.00 25.00 C ATOM 0 H THR A 7 10.802 6.735 4.300 1.00 25.00 H new ATOM 0 HA THR A 7 11.684 5.015 6.513 1.00 25.00 H new ATOM 0 HB THR A 7 14.004 6.024 6.095 1.00 25.00 H new ATOM 0 HG1 THR A 7 12.918 7.493 4.380 1.00 25.00 H new ATOM 0 HG21 THR A 7 14.620 4.346 4.421 1.00 25.00 H new ATOM 0 HG22 THR A 7 13.508 3.680 5.641 1.00 25.00 H new ATOM 0 HG23 THR A 7 12.901 4.113 4.025 1.00 25.00 H new ATOM 112 N LEU A 8 11.927 7.132 7.898 1.00 25.00 N ATOM 113 CA LEU A 8 11.896 8.317 8.742 1.00 25.00 C ATOM 114 C LEU A 8 13.095 8.343 9.630 1.00 25.00 C ATOM 115 O LEU A 8 13.527 7.334 10.154 1.00 25.00 O ATOM 116 CB LEU A 8 10.695 8.317 9.654 1.00 25.00 C ATOM 117 CG LEU A 8 9.325 8.343 9.027 1.00 25.00 C ATOM 118 CD1 LEU A 8 8.264 8.175 10.033 1.00 25.00 C ATOM 119 CD2 LEU A 8 9.108 9.656 8.266 1.00 25.00 C ATOM 0 H LEU A 8 12.077 6.263 8.411 1.00 25.00 H new ATOM 0 HA LEU A 8 11.865 9.177 8.073 1.00 25.00 H new ATOM 0 HB2 LEU A 8 10.756 7.430 10.285 1.00 25.00 H new ATOM 0 HB3 LEU A 8 10.777 9.182 10.312 1.00 25.00 H new ATOM 0 HG LEU A 8 9.271 7.506 8.331 1.00 25.00 H new ATOM 0 HD11 LEU A 8 7.291 8.199 9.543 1.00 25.00 H new ATOM 0 HD12 LEU A 8 8.391 7.218 10.540 1.00 25.00 H new ATOM 0 HD13 LEU A 8 8.323 8.983 10.762 1.00 25.00 H new ATOM 0 HD21 LEU A 8 8.114 9.658 7.820 1.00 25.00 H new ATOM 0 HD22 LEU A 8 9.198 10.495 8.956 1.00 25.00 H new ATOM 0 HD23 LEU A 8 9.858 9.750 7.481 1.00 25.00 H new ATOM 131 N CYS A 9 13.587 9.538 9.845 1.00 25.00 N ATOM 132 CA CYS A 9 14.781 9.750 10.652 1.00 25.00 C ATOM 133 C CYS A 9 14.504 10.897 11.612 1.00 25.00 C ATOM 134 O CYS A 9 13.371 11.362 11.684 1.00 25.00 O ATOM 135 CB CYS A 9 15.967 10.034 9.730 1.00 25.00 C ATOM 136 SG CYS A 9 16.410 8.593 8.692 1.00 25.00 S ATOM 0 H CYS A 9 13.178 10.394 9.470 1.00 25.00 H new ATOM 0 HA CYS A 9 15.033 8.866 11.238 1.00 25.00 H new ATOM 0 HB2 CYS A 9 15.728 10.881 9.087 1.00 25.00 H new ATOM 0 HB3 CYS A 9 16.829 10.323 10.331 1.00 25.00 H new ATOM 141 N GLY A 10 15.512 11.318 12.370 1.00 25.00 N ATOM 142 CA GLY A 10 15.332 12.355 13.383 1.00 25.00 C ATOM 143 C GLY A 10 14.453 13.525 12.967 1.00 25.00 C ATOM 144 O GLY A 10 14.536 14.026 11.847 1.00 25.00 O ATOM 0 H GLY A 10 16.464 10.957 12.302 1.00 25.00 H new ATOM 0 HA2 GLY A 10 14.902 11.898 14.275 1.00 25.00 H new ATOM 0 HA3 GLY A 10 16.312 12.740 13.663 1.00 25.00 H new ATOM 148 N GLY A 11 13.566 13.925 13.868 1.00 25.00 N ATOM 149 CA GLY A 11 12.606 14.979 13.575 1.00 25.00 C ATOM 150 C GLY A 11 11.362 14.439 12.894 1.00 25.00 C ATOM 151 O GLY A 11 10.290 14.458 13.469 1.00 25.00 O ATOM 0 H GLY A 11 13.492 13.535 14.808 1.00 25.00 H new ATOM 0 HA2 GLY A 11 12.324 15.481 14.501 1.00 25.00 H new ATOM 0 HA3 GLY A 11 13.073 15.728 12.936 1.00 25.00 H new ATOM 155 N GLU A 12 11.510 13.915 11.687 1.00 25.00 N ATOM 156 CA GLU A 12 10.365 13.399 10.925 1.00 25.00 C ATOM 157 C GLU A 12 9.750 12.166 11.598 1.00 25.00 C ATOM 158 O GLU A 12 8.535 12.005 11.644 1.00 25.00 O ATOM 159 CB GLU A 12 10.812 13.037 9.503 1.00 25.00 C ATOM 160 CG GLU A 12 11.423 14.208 8.723 1.00 25.00 C ATOM 161 CD GLU A 12 10.434 15.312 8.469 1.00 25.00 C ATOM 162 OE1 GLU A 12 9.469 15.180 7.785 1.00 25.00 O ATOM 163 OE2 GLU A 12 10.748 16.432 9.042 1.00 25.00 O ATOM 0 H GLU A 12 12.407 13.832 11.208 1.00 25.00 H new ATOM 0 HA GLU A 12 9.605 14.180 10.890 1.00 25.00 H new ATOM 0 HB2 GLU A 12 11.542 12.230 9.557 1.00 25.00 H new ATOM 0 HB3 GLU A 12 9.954 12.654 8.950 1.00 25.00 H new ATOM 0 HG2 GLU A 12 12.272 14.606 9.279 1.00 25.00 H new ATOM 0 HG3 GLU A 12 11.808 13.844 7.771 1.00 25.00 H new ATOM 170 N LEU A 13 10.600 11.309 12.145 1.00 25.00 N ATOM 171 CA LEU A 13 10.142 10.104 12.832 1.00 25.00 C ATOM 172 C LEU A 13 9.387 10.490 14.093 1.00 25.00 C ATOM 173 O LEU A 13 8.367 9.908 14.419 1.00 25.00 O ATOM 174 CB LEU A 13 11.343 9.205 13.170 1.00 25.00 C ATOM 175 CG LEU A 13 11.074 7.800 13.743 1.00 25.00 C ATOM 176 CD1 LEU A 13 9.950 7.040 13.029 1.00 25.00 C ATOM 177 CD2 LEU A 13 12.373 7.000 13.652 1.00 25.00 C ATOM 0 H LEU A 13 11.613 11.424 12.128 1.00 25.00 H new ATOM 0 HA LEU A 13 9.469 9.547 12.180 1.00 25.00 H new ATOM 0 HB2 LEU A 13 11.933 9.085 12.261 1.00 25.00 H new ATOM 0 HB3 LEU A 13 11.967 9.741 13.886 1.00 25.00 H new ATOM 0 HG LEU A 13 10.739 7.923 14.773 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.822 6.061 13.491 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.021 7.604 13.111 1.00 25.00 H new ATOM 0 HD13 LEU A 13 10.207 6.914 11.977 1.00 25.00 H new ATOM 0 HD21 LEU A 13 12.212 5.999 14.051 1.00 25.00 H new ATOM 0 HD22 LEU A 13 12.685 6.929 12.610 1.00 25.00 H new ATOM 0 HD23 LEU A 13 13.150 7.501 14.230 1.00 25.00 H new ATOM 189 N VAL A 14 9.890 11.510 14.775 1.00 25.00 N ATOM 190 CA VAL A 14 9.261 12.015 15.994 1.00 25.00 C ATOM 191 C VAL A 14 7.890 12.570 15.665 1.00 25.00 C ATOM 192 O VAL A 14 6.930 12.283 16.361 1.00 25.00 O ATOM 193 CB VAL A 14 10.140 13.128 16.649 1.00 25.00 C ATOM 194 CG1 VAL A 14 9.360 13.931 17.708 1.00 25.00 C ATOM 195 CG2 VAL A 14 11.385 12.494 17.280 1.00 25.00 C ATOM 0 H VAL A 14 10.738 12.009 14.505 1.00 25.00 H new ATOM 0 HA VAL A 14 9.162 11.193 16.703 1.00 25.00 H new ATOM 0 HB VAL A 14 10.436 13.826 15.865 1.00 25.00 H new ATOM 0 HG11 VAL A 14 10.009 14.694 18.137 1.00 25.00 H new ATOM 0 HG12 VAL A 14 8.499 14.409 17.241 1.00 25.00 H new ATOM 0 HG13 VAL A 14 9.019 13.259 18.496 1.00 25.00 H new ATOM 0 HG21 VAL A 14 11.997 13.271 17.737 1.00 25.00 H new ATOM 0 HG22 VAL A 14 11.081 11.777 18.042 1.00 25.00 H new ATOM 0 HG23 VAL A 14 11.963 11.982 16.510 1.00 25.00 H new ATOM 205 N ASP A 15 7.791 13.341 14.595 1.00 25.00 N ATOM 206 CA ASP A 15 6.519 13.951 14.235 1.00 25.00 C ATOM 207 C ASP A 15 5.490 12.890 13.858 1.00 25.00 C ATOM 208 O ASP A 15 4.337 12.960 14.254 1.00 25.00 O ATOM 209 CB ASP A 15 6.712 14.935 13.085 1.00 25.00 C ATOM 210 CG ASP A 15 5.571 15.924 12.978 1.00 25.00 C ATOM 211 OD1 ASP A 15 5.262 16.358 11.853 1.00 25.00 O ATOM 212 OD2 ASP A 15 5.028 16.316 14.035 1.00 25.00 O ATOM 0 H ASP A 15 8.564 13.558 13.967 1.00 25.00 H new ATOM 0 HA ASP A 15 6.144 14.492 15.104 1.00 25.00 H new ATOM 0 HB2 ASP A 15 7.647 15.477 13.226 1.00 25.00 H new ATOM 0 HB3 ASP A 15 6.801 14.384 12.149 1.00 25.00 H new ATOM 217 N THR A 16 5.929 11.851 13.167 1.00 25.00 N ATOM 218 CA THR A 16 5.029 10.750 12.829 1.00 25.00 C ATOM 219 C THR A 16 4.584 9.987 14.082 1.00 25.00 C ATOM 220 O THR A 16 3.430 9.592 14.201 1.00 25.00 O ATOM 221 CB THR A 16 5.703 9.787 11.857 1.00 25.00 C ATOM 222 OG1 THR A 16 6.170 10.521 10.721 1.00 25.00 O ATOM 223 CG2 THR A 16 4.736 8.731 11.371 1.00 25.00 C ATOM 0 H THR A 16 6.886 11.743 12.832 1.00 25.00 H new ATOM 0 HA THR A 16 4.147 11.182 12.356 1.00 25.00 H new ATOM 0 HB THR A 16 6.527 9.300 12.379 1.00 25.00 H new ATOM 0 HG1 THR A 16 6.963 11.041 10.971 1.00 25.00 H new ATOM 0 HG21 THR A 16 5.247 8.060 10.680 1.00 25.00 H new ATOM 0 HG22 THR A 16 4.363 8.160 12.221 1.00 25.00 H new ATOM 0 HG23 THR A 16 3.900 9.210 10.861 1.00 25.00 H new ATOM 231 N LEU A 17 5.477 9.812 15.043 1.00 25.00 N ATOM 232 CA LEU A 17 5.113 9.166 16.307 1.00 25.00 C ATOM 233 C LEU A 17 4.105 10.024 17.074 1.00 25.00 C ATOM 234 O LEU A 17 3.157 9.502 17.653 1.00 25.00 O ATOM 235 CB LEU A 17 6.364 8.905 17.151 1.00 25.00 C ATOM 236 CG LEU A 17 7.126 7.644 16.713 1.00 25.00 C ATOM 237 CD1 LEU A 17 8.607 7.769 16.970 1.00 25.00 C ATOM 238 CD2 LEU A 17 6.586 6.407 17.433 1.00 25.00 C ATOM 0 H LEU A 17 6.452 10.103 14.979 1.00 25.00 H new ATOM 0 HA LEU A 17 4.644 8.207 16.088 1.00 25.00 H new ATOM 0 HB2 LEU A 17 7.028 9.767 17.084 1.00 25.00 H new ATOM 0 HB3 LEU A 17 6.076 8.805 18.198 1.00 25.00 H new ATOM 0 HG LEU A 17 6.972 7.534 15.640 1.00 25.00 H new ATOM 0 HD11 LEU A 17 9.111 6.858 16.647 1.00 25.00 H new ATOM 0 HD12 LEU A 17 9.002 8.619 16.414 1.00 25.00 H new ATOM 0 HD13 LEU A 17 8.780 7.921 18.035 1.00 25.00 H new ATOM 0 HD21 LEU A 17 7.140 5.526 17.108 1.00 25.00 H new ATOM 0 HD22 LEU A 17 6.703 6.532 18.509 1.00 25.00 H new ATOM 0 HD23 LEU A 17 5.530 6.280 17.195 1.00 25.00 H new ATOM 250 N GLN A 18 4.266 11.339 17.009 1.00 25.00 N ATOM 251 CA GLN A 18 3.308 12.268 17.617 1.00 25.00 C ATOM 252 C GLN A 18 1.968 12.205 16.885 1.00 25.00 C ATOM 253 O GLN A 18 0.937 12.503 17.459 1.00 25.00 O ATOM 254 CB GLN A 18 3.849 13.706 17.567 1.00 25.00 C ATOM 255 CG GLN A 18 5.034 13.942 18.508 1.00 25.00 C ATOM 256 CD GLN A 18 5.702 15.303 18.349 1.00 25.00 C ATOM 257 OE1 GLN A 18 5.541 15.932 17.215 1.00 25.00 O flip ATOM 258 NE2 GLN A 18 6.397 15.755 19.251 1.00 25.00 N flip ATOM 0 H GLN A 18 5.051 11.792 16.541 1.00 25.00 H new ATOM 0 HA GLN A 18 3.164 11.975 18.657 1.00 25.00 H new ATOM 0 HB2 GLN A 18 4.153 13.937 16.546 1.00 25.00 H new ATOM 0 HB3 GLN A 18 3.047 14.398 17.824 1.00 25.00 H new ATOM 0 HG2 GLN A 18 4.692 13.837 19.537 1.00 25.00 H new ATOM 0 HG3 GLN A 18 5.778 13.164 18.338 1.00 25.00 H new ATOM 0 HE21 GLN A 18 6.501 15.237 20.124 1.00 25.00 H new ATOM 0 HE22 GLN A 18 6.872 16.649 19.129 1.00 25.00 H new ATOM 267 N PHE A 19 1.980 11.799 15.625 1.00 25.00 N ATOM 268 CA PHE A 19 0.744 11.653 14.864 1.00 25.00 C ATOM 269 C PHE A 19 -0.001 10.350 15.198 1.00 25.00 C ATOM 270 O PHE A 19 -1.182 10.386 15.523 1.00 25.00 O ATOM 271 CB PHE A 19 1.040 11.723 13.361 1.00 25.00 C ATOM 272 CG PHE A 19 -0.187 11.905 12.515 1.00 25.00 C ATOM 273 CD1 PHE A 19 -0.671 13.196 12.235 1.00 25.00 C ATOM 274 CD2 PHE A 19 -0.870 10.790 11.991 1.00 25.00 C ATOM 275 CE1 PHE A 19 -1.828 13.382 11.439 1.00 25.00 C ATOM 276 CE2 PHE A 19 -2.030 10.962 11.192 1.00 25.00 C ATOM 277 CZ PHE A 19 -2.508 12.262 10.917 1.00 25.00 C ATOM 0 H PHE A 19 2.827 11.565 15.107 1.00 25.00 H new ATOM 0 HA PHE A 19 0.091 12.478 15.148 1.00 25.00 H new ATOM 0 HB2 PHE A 19 1.727 12.548 13.172 1.00 25.00 H new ATOM 0 HB3 PHE A 19 1.549 10.809 13.056 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -0.154 14.057 12.632 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -0.507 9.794 12.199 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -2.188 14.379 11.232 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -2.546 10.100 10.795 1.00 25.00 H new ATOM 0 HZ PHE A 19 -3.391 12.398 10.310 1.00 25.00 H new ATOM 287 N VAL A 20 0.667 9.201 15.112 1.00 25.00 N ATOM 288 CA VAL A 20 -0.022 7.911 15.318 1.00 25.00 C ATOM 289 C VAL A 20 -0.422 7.685 16.785 1.00 25.00 C ATOM 290 O VAL A 20 -1.388 6.983 17.069 1.00 25.00 O ATOM 291 CB VAL A 20 0.809 6.679 14.827 1.00 25.00 C ATOM 292 CG1 VAL A 20 1.336 6.899 13.409 1.00 25.00 C ATOM 293 CG2 VAL A 20 1.947 6.370 15.754 1.00 25.00 C ATOM 0 H VAL A 20 1.663 9.127 14.906 1.00 25.00 H new ATOM 0 HA VAL A 20 -0.921 7.985 14.707 1.00 25.00 H new ATOM 0 HB VAL A 20 0.134 5.824 14.822 1.00 25.00 H new ATOM 0 HG11 VAL A 20 1.909 6.027 13.095 1.00 25.00 H new ATOM 0 HG12 VAL A 20 0.498 7.047 12.728 1.00 25.00 H new ATOM 0 HG13 VAL A 20 1.977 7.780 13.392 1.00 25.00 H new ATOM 0 HG21 VAL A 20 2.499 5.509 15.378 1.00 25.00 H new ATOM 0 HG22 VAL A 20 2.613 7.231 15.812 1.00 25.00 H new ATOM 0 HG23 VAL A 20 1.557 6.146 16.747 1.00 25.00 H new ATOM 303 N CYS A 21 0.341 8.255 17.714 1.00 25.00 N ATOM 304 CA CYS A 21 0.079 8.074 19.148 1.00 25.00 C ATOM 305 C CYS A 21 -0.651 9.274 19.717 1.00 25.00 C ATOM 306 O CYS A 21 -1.120 9.260 20.861 1.00 25.00 O ATOM 307 CB CYS A 21 1.397 7.923 19.917 1.00 25.00 C ATOM 308 SG CYS A 21 2.494 6.615 19.287 1.00 25.00 S ATOM 0 H CYS A 21 1.146 8.846 17.505 1.00 25.00 H new ATOM 0 HA CYS A 21 -0.532 7.178 19.257 1.00 25.00 H new ATOM 0 HB2 CYS A 21 1.931 8.873 19.887 1.00 25.00 H new ATOM 0 HB3 CYS A 21 1.171 7.717 20.963 1.00 25.00 H new ATOM 313 N GLY A 22 -0.672 10.351 18.952 1.00 25.00 N ATOM 314 CA GLY A 22 -1.173 11.605 19.461 1.00 25.00 C ATOM 315 C GLY A 22 -0.196 12.156 20.485 1.00 25.00 C ATOM 316 O GLY A 22 0.919 11.664 20.667 1.00 25.00 O ATOM 0 H GLY A 22 -0.350 10.378 17.985 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -1.303 12.316 18.645 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -2.153 11.461 19.917 1.00 25.00 H new ATOM 320 N ASP A 23 -0.671 13.139 21.228 1.00 25.00 N ATOM 321 CA ASP A 23 0.074 13.770 22.325 1.00 25.00 C ATOM 322 C ASP A 23 0.274 12.820 23.530 1.00 25.00 C ATOM 323 O ASP A 23 0.694 13.222 24.601 1.00 25.00 O ATOM 324 CB ASP A 23 -0.690 15.025 22.756 1.00 25.00 C ATOM 325 CG ASP A 23 0.073 15.864 23.761 1.00 25.00 C ATOM 326 OD1 ASP A 23 1.266 16.151 23.545 1.00 25.00 O ATOM 327 OD2 ASP A 23 -0.554 16.245 24.778 1.00 25.00 O ATOM 0 H ASP A 23 -1.601 13.535 21.091 1.00 25.00 H new ATOM 0 HA ASP A 23 1.072 14.025 21.969 1.00 25.00 H new ATOM 0 HB2 ASP A 23 -0.909 15.631 21.877 1.00 25.00 H new ATOM 0 HB3 ASP A 23 -1.647 14.731 23.187 1.00 25.00 H new ATOM 332 N ARG A 24 -0.167 11.575 23.400 1.00 25.00 N ATOM 333 CA ARG A 24 -0.160 10.632 24.528 1.00 25.00 C ATOM 334 C ARG A 24 1.226 10.071 24.830 1.00 25.00 C ATOM 335 O ARG A 24 1.427 9.421 25.854 1.00 25.00 O ATOM 336 CB ARG A 24 -1.164 9.503 24.275 1.00 25.00 C ATOM 337 CG ARG A 24 -2.594 9.980 23.886 1.00 25.00 C ATOM 338 CD ARG A 24 -3.288 10.861 24.961 1.00 25.00 C ATOM 339 NE ARG A 24 -2.759 12.243 25.017 1.00 25.00 N ATOM 340 CZ ARG A 24 -3.247 13.230 25.760 1.00 25.00 C ATOM 341 NH1 ARG A 24 -4.305 13.070 26.518 1.00 25.00 N ATOM 342 NH2 ARG A 24 -2.661 14.395 25.752 1.00 25.00 N ATOM 0 H ARG A 24 -0.534 11.189 22.530 1.00 25.00 H new ATOM 0 HA ARG A 24 -0.460 11.191 25.414 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -0.780 8.865 23.479 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -1.232 8.888 25.172 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -2.536 10.543 22.954 1.00 25.00 H new ATOM 0 HG3 ARG A 24 -3.216 9.106 23.692 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -4.358 10.897 24.756 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -3.166 10.393 25.938 1.00 25.00 H new ATOM 0 HE ARG A 24 -1.949 12.456 24.434 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -4.778 12.167 26.549 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -4.655 13.848 27.077 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -1.832 14.545 25.177 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -3.032 15.156 26.321 1.00 25.00 H new ATOM 356 N GLY A 25 2.184 10.362 23.964 1.00 25.00 N ATOM 357 CA GLY A 25 3.563 9.975 24.211 1.00 25.00 C ATOM 358 C GLY A 25 3.943 8.644 23.601 1.00 25.00 C ATOM 359 O GLY A 25 3.088 7.836 23.231 1.00 25.00 O ATOM 0 H GLY A 25 2.033 10.862 23.088 1.00 25.00 H new ATOM 0 HA2 GLY A 25 4.223 10.747 23.816 1.00 25.00 H new ATOM 0 HA3 GLY A 25 3.731 9.932 25.287 1.00 25.00 H new ATOM 363 N PHE A 26 5.243 8.422 23.477 1.00 25.00 N ATOM 364 CA PHE A 26 5.770 7.226 22.833 1.00 25.00 C ATOM 365 C PHE A 26 7.187 6.929 23.308 1.00 25.00 C ATOM 366 O PHE A 26 7.860 7.775 23.903 1.00 25.00 O ATOM 367 CB PHE A 26 5.772 7.428 21.313 1.00 25.00 C ATOM 368 CG PHE A 26 6.455 8.693 20.882 1.00 25.00 C ATOM 369 CD1 PHE A 26 5.718 9.883 20.740 1.00 25.00 C ATOM 370 CD2 PHE A 26 7.838 8.712 20.623 1.00 25.00 C ATOM 371 CE1 PHE A 26 6.352 11.081 20.360 1.00 25.00 C ATOM 372 CE2 PHE A 26 8.483 9.907 20.231 1.00 25.00 C ATOM 373 CZ PHE A 26 7.738 11.094 20.106 1.00 25.00 C ATOM 0 H PHE A 26 5.960 9.062 23.818 1.00 25.00 H new ATOM 0 HA PHE A 26 5.135 6.381 23.098 1.00 25.00 H new ATOM 0 HB2 PHE A 26 6.266 6.578 20.841 1.00 25.00 H new ATOM 0 HB3 PHE A 26 4.743 7.439 20.954 1.00 25.00 H new ATOM 0 HD1 PHE A 26 4.654 9.877 20.925 1.00 25.00 H new ATOM 0 HD2 PHE A 26 8.413 7.803 20.725 1.00 25.00 H new ATOM 0 HE1 PHE A 26 5.776 11.990 20.263 1.00 25.00 H new ATOM 0 HE2 PHE A 26 9.544 9.909 20.028 1.00 25.00 H new ATOM 0 HZ PHE A 26 8.227 12.012 19.816 1.00 25.00 H new ATOM 383 N TYR A 27 7.637 5.723 23.011 1.00 25.00 N ATOM 384 CA TYR A 27 8.991 5.277 23.284 1.00 25.00 C ATOM 385 C TYR A 27 9.775 5.425 21.983 1.00 25.00 C ATOM 386 O TYR A 27 9.185 5.570 20.927 1.00 25.00 O ATOM 387 CB TYR A 27 8.973 3.803 23.695 1.00 25.00 C ATOM 388 CG TYR A 27 8.310 3.528 25.031 1.00 25.00 C ATOM 389 CD1 TYR A 27 6.940 3.178 25.112 1.00 25.00 C ATOM 390 CD2 TYR A 27 9.055 3.592 26.229 1.00 25.00 C ATOM 391 CE1 TYR A 27 6.340 2.879 26.366 1.00 25.00 C ATOM 392 CE2 TYR A 27 8.449 3.302 27.483 1.00 25.00 C ATOM 393 CZ TYR A 27 7.098 2.943 27.532 1.00 25.00 C ATOM 394 OH TYR A 27 6.510 2.650 28.736 1.00 25.00 O ATOM 0 H TYR A 27 7.059 5.012 22.564 1.00 25.00 H new ATOM 0 HA TYR A 27 9.440 5.859 24.088 1.00 25.00 H new ATOM 0 HB2 TYR A 27 8.457 3.231 22.924 1.00 25.00 H new ATOM 0 HB3 TYR A 27 9.999 3.437 23.731 1.00 25.00 H new ATOM 0 HD1 TYR A 27 6.345 3.138 24.212 1.00 25.00 H new ATOM 0 HD2 TYR A 27 10.099 3.865 26.193 1.00 25.00 H new ATOM 0 HE1 TYR A 27 5.297 2.602 26.414 1.00 25.00 H new ATOM 0 HE2 TYR A 27 9.029 3.359 28.392 1.00 25.00 H new ATOM 0 HH TYR A 27 7.172 2.739 29.453 1.00 25.00 H new ATOM 404 N PHE A 28 11.099 5.330 22.037 1.00 25.00 N ATOM 405 CA PHE A 28 11.902 5.385 20.815 1.00 25.00 C ATOM 406 C PHE A 28 12.706 4.110 20.766 1.00 25.00 C ATOM 407 O PHE A 28 12.865 3.496 19.734 1.00 25.00 O ATOM 408 CB PHE A 28 12.831 6.601 20.834 1.00 25.00 C ATOM 409 CG PHE A 28 12.931 7.309 19.510 1.00 25.00 C ATOM 410 CD1 PHE A 28 11.835 8.035 19.003 1.00 25.00 C ATOM 411 CD2 PHE A 28 14.123 7.265 18.765 1.00 25.00 C ATOM 412 CE1 PHE A 28 11.929 8.718 17.762 1.00 25.00 C ATOM 413 CE2 PHE A 28 14.229 7.950 17.527 1.00 25.00 C ATOM 414 CZ PHE A 28 13.127 8.673 17.027 1.00 25.00 C ATOM 0 H PHE A 28 11.635 5.216 22.898 1.00 25.00 H new ATOM 0 HA PHE A 28 11.264 5.480 19.936 1.00 25.00 H new ATOM 0 HB2 PHE A 28 12.477 7.306 21.586 1.00 25.00 H new ATOM 0 HB3 PHE A 28 13.827 6.281 21.141 1.00 25.00 H new ATOM 0 HD1 PHE A 28 10.913 8.072 19.565 1.00 25.00 H new ATOM 0 HD2 PHE A 28 14.967 6.704 19.139 1.00 25.00 H new ATOM 0 HE1 PHE A 28 11.082 9.271 17.383 1.00 25.00 H new ATOM 0 HE2 PHE A 28 15.153 7.918 16.968 1.00 25.00 H new ATOM 0 HZ PHE A 28 13.203 9.191 16.082 1.00 25.00 H new ATOM 424 N ASN A 29 13.187 3.710 21.930 1.00 25.00 N ATOM 425 CA ASN A 29 13.968 2.493 22.081 1.00 25.00 C ATOM 426 C ASN A 29 13.649 1.786 23.386 1.00 25.00 C ATOM 427 O ASN A 29 14.452 1.031 23.912 1.00 25.00 O ATOM 428 CB ASN A 29 15.461 2.804 21.963 1.00 25.00 C ATOM 429 CG ASN A 29 15.917 3.952 22.837 1.00 25.00 C ATOM 430 OD1 ASN A 29 15.209 4.443 23.710 1.00 25.00 O ATOM 431 ND2 ASN A 29 17.105 4.412 22.571 1.00 25.00 N ATOM 0 H ASN A 29 13.047 4.222 22.801 1.00 25.00 H new ATOM 0 HA ASN A 29 13.696 1.811 21.275 1.00 25.00 H new ATOM 0 HB2 ASN A 29 16.030 1.912 22.225 1.00 25.00 H new ATOM 0 HB3 ASN A 29 15.693 3.036 20.924 1.00 25.00 H new ATOM 0 HD21 ASN A 29 17.474 5.205 23.096 1.00 25.00 H new ATOM 0 HD22 ASN A 29 17.667 3.979 21.838 1.00 25.00 H new ATOM 438 N ARG A 30 12.428 2.019 23.860 1.00 25.00 N ATOM 439 CA ARG A 30 11.860 1.330 25.035 1.00 25.00 C ATOM 440 C ARG A 30 12.847 1.112 26.187 1.00 25.00 C ATOM 441 O ARG A 30 13.076 -0.015 26.610 1.00 25.00 O ATOM 442 CB ARG A 30 11.310 -0.013 24.564 1.00 25.00 C ATOM 443 CG ARG A 30 10.567 0.133 23.264 1.00 25.00 C ATOM 444 CD ARG A 30 9.623 -1.009 22.979 1.00 25.00 C ATOM 445 NE ARG A 30 10.337 -2.259 22.669 1.00 25.00 N ATOM 446 CZ ARG A 30 9.778 -3.349 22.154 1.00 25.00 C ATOM 447 NH1 ARG A 30 8.499 -3.417 21.873 1.00 25.00 N ATOM 448 NH2 ARG A 30 10.523 -4.392 21.914 1.00 25.00 N ATOM 0 H ARG A 30 11.792 2.697 23.441 1.00 25.00 H new ATOM 0 HA ARG A 30 11.083 1.975 25.445 1.00 25.00 H new ATOM 0 HB2 ARG A 30 12.129 -0.722 24.441 1.00 25.00 H new ATOM 0 HB3 ARG A 30 10.644 -0.423 25.323 1.00 25.00 H new ATOM 0 HG2 ARG A 30 10.002 1.065 23.280 1.00 25.00 H new ATOM 0 HG3 ARG A 30 11.287 0.210 22.450 1.00 25.00 H new ATOM 0 HD2 ARG A 30 8.976 -1.167 23.842 1.00 25.00 H new ATOM 0 HD3 ARG A 30 8.978 -0.744 22.141 1.00 25.00 H new ATOM 0 HE ARG A 30 11.338 -2.291 22.865 1.00 25.00 H new ATOM 0 HH11 ARG A 30 7.895 -2.614 22.049 1.00 25.00 H new ATOM 0 HH12 ARG A 30 8.108 -4.273 21.478 1.00 25.00 H new ATOM 0 HH21 ARG A 30 11.521 -4.364 22.121 1.00 25.00 H new ATOM 0 HH22 ARG A 30 10.107 -5.236 21.519 1.00 25.00 H new ATOM 462 N PRO A 31 13.496 2.191 26.652 1.00 25.00 N ATOM 463 CA PRO A 31 14.651 1.913 27.509 1.00 25.00 C ATOM 464 C PRO A 31 14.321 1.611 28.960 1.00 25.00 C ATOM 465 O PRO A 31 15.006 0.848 29.628 1.00 25.00 O ATOM 466 CB PRO A 31 15.448 3.209 27.414 1.00 25.00 C ATOM 467 CG PRO A 31 14.422 4.279 27.207 1.00 25.00 C ATOM 468 CD PRO A 31 13.360 3.629 26.347 1.00 25.00 C ATOM 0 HA PRO A 31 15.168 1.012 27.179 1.00 25.00 H new ATOM 0 HB2 PRO A 31 16.025 3.385 28.322 1.00 25.00 H new ATOM 0 HB3 PRO A 31 16.157 3.177 26.587 1.00 25.00 H new ATOM 0 HG2 PRO A 31 14.009 4.621 28.156 1.00 25.00 H new ATOM 0 HG3 PRO A 31 14.852 5.151 26.714 1.00 25.00 H new ATOM 0 HD2 PRO A 31 12.364 3.998 26.593 1.00 25.00 H new ATOM 0 HD3 PRO A 31 13.523 3.831 25.288 1.00 25.00 H new ATOM 476 N ALA A 32 13.299 2.306 29.438 1.00 25.00 N ATOM 477 CA ALA A 32 12.819 2.238 30.826 1.00 25.00 C ATOM 478 C ALA A 32 13.934 2.452 31.868 1.00 25.00 C ATOM 479 O ALA A 32 13.874 1.943 32.979 1.00 25.00 O ATOM 480 CB ALA A 32 12.085 0.904 31.069 1.00 25.00 C ATOM 0 H ALA A 32 12.761 2.953 28.862 1.00 25.00 H new ATOM 0 HA ALA A 32 12.121 3.065 30.960 1.00 25.00 H new ATOM 0 HB1 ALA A 32 11.734 0.864 32.100 1.00 25.00 H new ATOM 0 HB2 ALA A 32 11.234 0.829 30.393 1.00 25.00 H new ATOM 0 HB3 ALA A 32 12.768 0.074 30.886 1.00 25.00 H new ATOM 486 N SER A 33 14.955 3.200 31.481 1.00 25.00 N ATOM 487 CA SER A 33 16.117 3.445 32.334 1.00 25.00 C ATOM 488 C SER A 33 16.791 4.755 31.950 1.00 25.00 C ATOM 489 O SER A 33 16.604 5.267 30.846 1.00 25.00 O ATOM 490 CB SER A 33 17.120 2.299 32.191 1.00 25.00 C ATOM 491 OG SER A 33 16.657 1.145 32.865 1.00 25.00 O ATOM 0 H SER A 33 15.006 3.655 30.570 1.00 25.00 H new ATOM 0 HA SER A 33 15.779 3.508 33.368 1.00 25.00 H new ATOM 0 HB2 SER A 33 17.274 2.073 31.136 1.00 25.00 H new ATOM 0 HB3 SER A 33 18.086 2.601 32.597 1.00 25.00 H new ATOM 0 HG SER A 33 15.716 1.265 33.110 1.00 25.00 H new ATOM 497 N ARG A 34 17.605 5.282 32.857 1.00 25.00 N ATOM 498 CA ARG A 34 18.320 6.552 32.652 1.00 25.00 C ATOM 499 C ARG A 34 19.637 6.335 31.904 1.00 25.00 C ATOM 500 O ARG A 34 20.654 6.927 32.240 1.00 25.00 O ATOM 501 CB ARG A 34 18.602 7.214 34.012 1.00 25.00 C ATOM 502 CG ARG A 34 17.350 7.695 34.765 1.00 25.00 C ATOM 503 CD ARG A 34 16.834 9.042 34.241 1.00 25.00 C ATOM 504 NE ARG A 34 17.789 10.135 34.511 1.00 25.00 N ATOM 505 CZ ARG A 34 17.586 11.420 34.239 1.00 25.00 C ATOM 506 NH1 ARG A 34 16.483 11.854 33.680 1.00 25.00 N ATOM 507 NH2 ARG A 34 18.514 12.287 34.539 1.00 25.00 N ATOM 0 H ARG A 34 17.793 4.846 33.760 1.00 25.00 H new ATOM 0 HA ARG A 34 17.688 7.202 32.047 1.00 25.00 H new ATOM 0 HB2 ARG A 34 19.138 6.504 34.642 1.00 25.00 H new ATOM 0 HB3 ARG A 34 19.265 8.065 33.856 1.00 25.00 H new ATOM 0 HG2 ARG A 34 16.563 6.946 34.672 1.00 25.00 H new ATOM 0 HG3 ARG A 34 17.580 7.785 35.827 1.00 25.00 H new ATOM 0 HD2 ARG A 34 16.656 8.971 33.168 1.00 25.00 H new ATOM 0 HD3 ARG A 34 15.876 9.272 34.708 1.00 25.00 H new ATOM 0 HE ARG A 34 18.678 9.883 34.942 1.00 25.00 H new ATOM 0 HH11 ARG A 34 15.741 11.197 33.437 1.00 25.00 H new ATOM 0 HH12 ARG A 34 16.366 12.849 33.488 1.00 25.00 H new ATOM 0 HH21 ARG A 34 19.381 11.975 34.976 1.00 25.00 H new ATOM 0 HH22 ARG A 34 18.372 13.277 34.336 1.00 25.00 H new ATOM 521 N VAL A 35 19.613 5.482 30.892 1.00 25.00 N ATOM 522 CA VAL A 35 20.824 5.173 30.117 1.00 25.00 C ATOM 523 C VAL A 35 21.302 6.387 29.314 1.00 25.00 C ATOM 524 O VAL A 35 22.491 6.515 29.026 1.00 25.00 O ATOM 525 CB VAL A 35 20.602 3.958 29.152 1.00 25.00 C ATOM 526 CG1 VAL A 35 20.293 2.696 29.957 1.00 25.00 C ATOM 527 CG2 VAL A 35 19.454 4.222 28.149 1.00 25.00 C ATOM 0 H VAL A 35 18.776 4.988 30.582 1.00 25.00 H new ATOM 0 HA VAL A 35 21.594 4.905 30.840 1.00 25.00 H new ATOM 0 HB VAL A 35 21.523 3.820 28.585 1.00 25.00 H new ATOM 0 HG11 VAL A 35 20.141 1.858 29.276 1.00 25.00 H new ATOM 0 HG12 VAL A 35 21.128 2.476 30.623 1.00 25.00 H new ATOM 0 HG13 VAL A 35 19.390 2.853 30.547 1.00 25.00 H new ATOM 0 HG21 VAL A 35 19.333 3.356 27.499 1.00 25.00 H new ATOM 0 HG22 VAL A 35 18.527 4.398 28.695 1.00 25.00 H new ATOM 0 HG23 VAL A 35 19.692 5.098 27.546 1.00 25.00 H new ATOM 537 N SER A 36 20.367 7.290 29.021 1.00 25.00 N ATOM 538 CA SER A 36 20.609 8.523 28.253 1.00 25.00 C ATOM 539 C SER A 36 21.005 8.241 26.794 1.00 25.00 C ATOM 540 O SER A 36 21.187 7.101 26.385 1.00 25.00 O ATOM 541 CB SER A 36 21.649 9.417 28.950 1.00 25.00 C ATOM 542 OG SER A 36 21.645 10.731 28.409 1.00 25.00 O ATOM 0 H SER A 36 19.396 7.187 29.315 1.00 25.00 H new ATOM 0 HA SER A 36 19.663 9.064 28.221 1.00 25.00 H new ATOM 0 HB2 SER A 36 21.437 9.461 30.018 1.00 25.00 H new ATOM 0 HB3 SER A 36 22.641 8.979 28.840 1.00 25.00 H new ATOM 0 HG SER A 36 22.314 11.277 28.872 1.00 25.00 H new ATOM 548 N ARG A 37 21.089 9.302 25.999 1.00 25.00 N ATOM 549 CA ARG A 37 21.360 9.188 24.556 1.00 25.00 C ATOM 550 C ARG A 37 22.798 8.773 24.256 1.00 25.00 C ATOM 551 O ARG A 37 23.128 8.467 23.124 1.00 25.00 O ATOM 552 CB ARG A 37 21.065 10.520 23.852 1.00 25.00 C ATOM 553 CG ARG A 37 19.603 10.967 23.955 1.00 25.00 C ATOM 554 CD ARG A 37 19.353 12.223 23.114 1.00 25.00 C ATOM 555 NE ARG A 37 17.987 12.757 23.294 1.00 25.00 N ATOM 556 CZ ARG A 37 16.910 12.384 22.604 1.00 25.00 C ATOM 557 NH1 ARG A 37 16.954 11.467 21.668 1.00 25.00 N ATOM 558 NH2 ARG A 37 15.765 12.952 22.862 1.00 25.00 N ATOM 0 H ARG A 37 20.973 10.261 26.325 1.00 25.00 H new ATOM 0 HA ARG A 37 20.702 8.405 24.178 1.00 25.00 H new ATOM 0 HB2 ARG A 37 21.702 11.294 24.279 1.00 25.00 H new ATOM 0 HB3 ARG A 37 21.334 10.431 22.799 1.00 25.00 H new ATOM 0 HG2 ARG A 37 18.949 10.163 23.618 1.00 25.00 H new ATOM 0 HG3 ARG A 37 19.352 11.167 24.997 1.00 25.00 H new ATOM 0 HD2 ARG A 37 20.079 12.990 23.386 1.00 25.00 H new ATOM 0 HD3 ARG A 37 19.514 11.990 22.061 1.00 25.00 H new ATOM 0 HE ARG A 37 17.857 13.473 24.008 1.00 25.00 H new ATOM 0 HH11 ARG A 37 17.837 11.009 21.444 1.00 25.00 H new ATOM 0 HH12 ARG A 37 16.105 11.212 21.164 1.00 25.00 H new ATOM 0 HH21 ARG A 37 15.703 13.671 23.583 1.00 25.00 H new ATOM 0 HH22 ARG A 37 14.931 12.678 22.343 1.00 25.00 H new ATOM 572 N ARG A 38 23.637 8.753 25.285 1.00 25.00 N ATOM 573 CA ARG A 38 25.043 8.346 25.153 1.00 25.00 C ATOM 574 C ARG A 38 25.166 6.883 24.723 1.00 25.00 C ATOM 575 O ARG A 38 26.182 6.482 24.181 1.00 25.00 O ATOM 576 CB ARG A 38 25.775 8.549 26.488 1.00 25.00 C ATOM 577 CG ARG A 38 25.274 7.625 27.597 1.00 25.00 C ATOM 578 CD ARG A 38 25.865 7.952 28.958 1.00 25.00 C ATOM 579 NE ARG A 38 26.754 6.880 29.443 1.00 25.00 N ATOM 580 CZ ARG A 38 26.354 5.730 29.979 1.00 25.00 C ATOM 581 NH1 ARG A 38 25.088 5.402 30.101 1.00 25.00 N ATOM 582 NH2 ARG A 38 27.253 4.881 30.394 1.00 25.00 N ATOM 0 H ARG A 38 23.370 9.016 26.233 1.00 25.00 H new ATOM 0 HA ARG A 38 25.498 8.968 24.382 1.00 25.00 H new ATOM 0 HB2 ARG A 38 26.842 8.382 26.339 1.00 25.00 H new ATOM 0 HB3 ARG A 38 25.656 9.585 26.806 1.00 25.00 H new ATOM 0 HG2 ARG A 38 24.188 7.692 27.654 1.00 25.00 H new ATOM 0 HG3 ARG A 38 25.517 6.594 27.340 1.00 25.00 H new ATOM 0 HD2 ARG A 38 26.423 8.886 28.897 1.00 25.00 H new ATOM 0 HD3 ARG A 38 25.060 8.108 29.676 1.00 25.00 H new ATOM 0 HE ARG A 38 27.759 7.033 29.361 1.00 25.00 H new ATOM 0 HH11 ARG A 38 24.362 6.041 29.778 1.00 25.00 H new ATOM 0 HH12 ARG A 38 24.831 4.508 30.519 1.00 25.00 H new ATOM 0 HH21 ARG A 38 28.244 5.104 30.305 1.00 25.00 H new ATOM 0 HH22 ARG A 38 26.965 3.994 30.808 1.00 25.00 H new ATOM 596 N SER A 39 24.130 6.101 24.983 1.00 25.00 N ATOM 597 CA SER A 39 24.105 4.690 24.620 1.00 25.00 C ATOM 598 C SER A 39 22.914 4.419 23.720 1.00 25.00 C ATOM 599 O SER A 39 21.841 4.045 24.205 1.00 25.00 O ATOM 600 CB SER A 39 23.986 3.833 25.872 1.00 25.00 C ATOM 601 OG SER A 39 23.233 4.516 26.859 1.00 25.00 O ATOM 0 H SER A 39 23.283 6.424 25.451 1.00 25.00 H new ATOM 0 HA SER A 39 25.029 4.443 24.097 1.00 25.00 H new ATOM 0 HB2 SER A 39 23.506 2.885 25.629 1.00 25.00 H new ATOM 0 HB3 SER A 39 24.978 3.599 26.258 1.00 25.00 H new ATOM 0 HG SER A 39 22.347 4.734 26.502 1.00 25.00 H new ATOM 607 N PRO A 40 23.066 4.627 22.404 1.00 25.00 N ATOM 608 CA PRO A 40 21.911 4.261 21.587 1.00 25.00 C ATOM 609 C PRO A 40 21.719 2.746 21.580 1.00 25.00 C ATOM 610 O PRO A 40 22.661 1.976 21.417 1.00 25.00 O ATOM 611 CB PRO A 40 22.278 4.802 20.203 1.00 25.00 C ATOM 612 CG PRO A 40 23.763 4.763 20.175 1.00 25.00 C ATOM 613 CD PRO A 40 24.185 5.117 21.579 1.00 25.00 C ATOM 0 HA PRO A 40 20.967 4.666 21.952 1.00 25.00 H new ATOM 0 HB2 PRO A 40 21.849 4.189 19.410 1.00 25.00 H new ATOM 0 HB3 PRO A 40 21.904 5.816 20.060 1.00 25.00 H new ATOM 0 HG2 PRO A 40 24.127 3.776 19.890 1.00 25.00 H new ATOM 0 HG3 PRO A 40 24.164 5.472 19.451 1.00 25.00 H new ATOM 0 HD2 PRO A 40 25.125 4.636 21.850 1.00 25.00 H new ATOM 0 HD3 PRO A 40 24.331 6.191 21.696 1.00 25.00 H new ATOM 621 N GLN A 41 20.485 2.338 21.800 1.00 25.00 N ATOM 622 CA GLN A 41 20.095 0.943 21.795 1.00 25.00 C ATOM 623 C GLN A 41 18.999 0.806 20.750 1.00 25.00 C ATOM 624 O GLN A 41 18.430 1.818 20.320 1.00 25.00 O ATOM 625 CB GLN A 41 19.597 0.549 23.182 1.00 25.00 C ATOM 626 CG GLN A 41 20.719 0.471 24.219 1.00 25.00 C ATOM 627 CD GLN A 41 20.228 0.024 25.577 1.00 25.00 C ATOM 628 OE1 GLN A 41 19.548 0.757 26.275 1.00 25.00 O ATOM 629 NE2 GLN A 41 20.580 -1.176 25.961 1.00 25.00 N ATOM 0 H GLN A 41 19.713 2.977 21.990 1.00 25.00 H new ATOM 0 HA GLN A 41 20.929 0.284 21.553 1.00 25.00 H new ATOM 0 HB2 GLN A 41 18.852 1.273 23.514 1.00 25.00 H new ATOM 0 HB3 GLN A 41 19.097 -0.418 23.122 1.00 25.00 H new ATOM 0 HG2 GLN A 41 21.485 -0.221 23.868 1.00 25.00 H new ATOM 0 HG3 GLN A 41 21.191 1.449 24.312 1.00 25.00 H new ATOM 0 HE21 GLN A 41 21.150 -1.761 25.349 1.00 25.00 H new ATOM 0 HE22 GLN A 41 20.285 -1.527 26.872 1.00 25.00 H new ATOM 638 N ARG A 42 18.730 -0.426 20.327 1.00 25.00 N ATOM 639 CA ARG A 42 17.778 -0.688 19.243 1.00 25.00 C ATOM 640 C ARG A 42 16.409 -0.112 19.518 1.00 25.00 C ATOM 641 O ARG A 42 15.931 -0.123 20.648 1.00 25.00 O ATOM 642 CB ARG A 42 17.629 -2.189 18.992 1.00 25.00 C ATOM 643 CG ARG A 42 18.918 -2.873 18.577 1.00 25.00 C ATOM 644 CD ARG A 42 18.680 -3.858 17.442 1.00 25.00 C ATOM 645 NE ARG A 42 19.812 -3.831 16.510 1.00 25.00 N ATOM 646 CZ ARG A 42 20.792 -4.720 16.439 1.00 25.00 C ATOM 647 NH1 ARG A 42 20.846 -5.780 17.211 1.00 25.00 N ATOM 648 NH2 ARG A 42 21.740 -4.531 15.566 1.00 25.00 N ATOM 0 H ARG A 42 19.158 -1.265 20.718 1.00 25.00 H new ATOM 0 HA ARG A 42 18.191 -0.197 18.362 1.00 25.00 H new ATOM 0 HB2 ARG A 42 17.253 -2.664 19.898 1.00 25.00 H new ATOM 0 HB3 ARG A 42 16.880 -2.345 18.216 1.00 25.00 H new ATOM 0 HG2 ARG A 42 19.646 -2.124 18.265 1.00 25.00 H new ATOM 0 HG3 ARG A 42 19.346 -3.396 19.432 1.00 25.00 H new ATOM 0 HD2 ARG A 42 18.552 -4.864 17.843 1.00 25.00 H new ATOM 0 HD3 ARG A 42 17.759 -3.605 16.916 1.00 25.00 H new ATOM 0 HE ARG A 42 19.848 -3.052 15.852 1.00 25.00 H new ATOM 0 HH11 ARG A 42 20.114 -5.946 17.901 1.00 25.00 H new ATOM 0 HH12 ARG A 42 21.620 -6.438 17.121 1.00 25.00 H new ATOM 0 HH21 ARG A 42 21.717 -3.713 14.957 1.00 25.00 H new ATOM 0 HH22 ARG A 42 22.506 -5.201 15.492 1.00 25.00 H new ATOM 662 N GLY A 43 15.779 0.379 18.467 1.00 25.00 N ATOM 663 CA GLY A 43 14.475 0.987 18.591 1.00 25.00 C ATOM 664 C GLY A 43 13.925 1.332 17.231 1.00 25.00 C ATOM 665 O GLY A 43 14.511 0.948 16.222 1.00 25.00 O ATOM 0 H GLY A 43 16.153 0.367 17.518 1.00 25.00 H new ATOM 0 HA2 GLY A 43 13.796 0.305 19.103 1.00 25.00 H new ATOM 0 HA3 GLY A 43 14.543 1.887 19.202 1.00 25.00 H new ATOM 669 N ILE A 44 12.851 2.109 17.210 1.00 25.00 N ATOM 670 CA ILE A 44 12.172 2.512 15.977 1.00 25.00 C ATOM 671 C ILE A 44 13.115 3.186 14.982 1.00 25.00 C ATOM 672 O ILE A 44 12.960 3.055 13.786 1.00 25.00 O ATOM 673 CB ILE A 44 10.976 3.463 16.316 1.00 25.00 C ATOM 674 CG1 ILE A 44 10.128 3.762 15.075 1.00 25.00 C ATOM 675 CG2 ILE A 44 11.466 4.805 16.910 1.00 25.00 C ATOM 676 CD1 ILE A 44 9.270 2.612 14.595 1.00 25.00 C ATOM 0 H ILE A 44 12.419 2.483 18.055 1.00 25.00 H new ATOM 0 HA ILE A 44 11.801 1.605 15.500 1.00 25.00 H new ATOM 0 HB ILE A 44 10.369 2.940 17.055 1.00 25.00 H new ATOM 0 HG12 ILE A 44 9.481 4.612 15.291 1.00 25.00 H new ATOM 0 HG13 ILE A 44 10.791 4.064 14.264 1.00 25.00 H new ATOM 0 HG21 ILE A 44 10.608 5.439 17.133 1.00 25.00 H new ATOM 0 HG22 ILE A 44 12.024 4.615 17.827 1.00 25.00 H new ATOM 0 HG23 ILE A 44 12.111 5.308 16.190 1.00 25.00 H new ATOM 0 HD11 ILE A 44 8.708 2.921 13.714 1.00 25.00 H new ATOM 0 HD12 ILE A 44 9.907 1.764 14.341 1.00 25.00 H new ATOM 0 HD13 ILE A 44 8.576 2.321 15.384 1.00 25.00 H new ATOM 688 N VAL A 45 14.125 3.879 15.471 1.00 25.00 N ATOM 689 CA VAL A 45 15.103 4.503 14.586 1.00 25.00 C ATOM 690 C VAL A 45 15.838 3.459 13.727 1.00 25.00 C ATOM 691 O VAL A 45 16.095 3.700 12.557 1.00 25.00 O ATOM 692 CB VAL A 45 16.090 5.407 15.379 1.00 25.00 C ATOM 693 CG1 VAL A 45 16.713 4.659 16.567 1.00 25.00 C ATOM 694 CG2 VAL A 45 17.169 5.982 14.456 1.00 25.00 C ATOM 0 H VAL A 45 14.294 4.026 16.466 1.00 25.00 H new ATOM 0 HA VAL A 45 14.559 5.150 13.898 1.00 25.00 H new ATOM 0 HB VAL A 45 15.518 6.240 15.787 1.00 25.00 H new ATOM 0 HG11 VAL A 45 17.397 5.323 17.097 1.00 25.00 H new ATOM 0 HG12 VAL A 45 15.925 4.333 17.246 1.00 25.00 H new ATOM 0 HG13 VAL A 45 17.260 3.790 16.203 1.00 25.00 H new ATOM 0 HG21 VAL A 45 17.846 6.610 15.035 1.00 25.00 H new ATOM 0 HG22 VAL A 45 17.731 5.166 14.001 1.00 25.00 H new ATOM 0 HG23 VAL A 45 16.699 6.579 13.675 1.00 25.00 H new ATOM 704 N GLU A 46 16.118 2.279 14.256 1.00 25.00 N ATOM 705 CA GLU A 46 16.785 1.256 13.452 1.00 25.00 C ATOM 706 C GLU A 46 15.788 0.636 12.490 1.00 25.00 C ATOM 707 O GLU A 46 16.154 0.160 11.422 1.00 25.00 O ATOM 708 CB GLU A 46 17.415 0.165 14.319 1.00 25.00 C ATOM 709 CG GLU A 46 18.389 0.702 15.369 1.00 25.00 C ATOM 710 CD GLU A 46 19.425 -0.330 15.820 1.00 25.00 C ATOM 711 OE1 GLU A 46 20.093 -0.070 16.839 1.00 25.00 O ATOM 712 OE2 GLU A 46 19.554 -1.406 15.192 1.00 25.00 O ATOM 0 H GLU A 46 15.902 2.005 15.215 1.00 25.00 H new ATOM 0 HA GLU A 46 17.589 1.740 12.898 1.00 25.00 H new ATOM 0 HB2 GLU A 46 16.623 -0.391 14.821 1.00 25.00 H new ATOM 0 HB3 GLU A 46 17.941 -0.540 13.675 1.00 25.00 H new ATOM 0 HG2 GLU A 46 18.906 1.572 14.963 1.00 25.00 H new ATOM 0 HG3 GLU A 46 17.825 1.043 16.237 1.00 25.00 H new ATOM 719 N GLU A 47 14.522 0.661 12.871 1.00 25.00 N ATOM 720 CA GLU A 47 13.471 0.047 12.068 1.00 25.00 C ATOM 721 C GLU A 47 12.942 0.972 10.971 1.00 25.00 C ATOM 722 O GLU A 47 12.457 0.497 9.960 1.00 25.00 O ATOM 723 CB GLU A 47 12.338 -0.412 12.994 1.00 25.00 C ATOM 724 CG GLU A 47 12.801 -1.519 13.943 1.00 25.00 C ATOM 725 CD GLU A 47 11.769 -1.866 14.991 1.00 25.00 C ATOM 726 OE1 GLU A 47 11.037 -2.857 14.816 1.00 25.00 O ATOM 727 OE2 GLU A 47 11.738 -1.179 16.033 1.00 25.00 O ATOM 0 H GLU A 47 14.194 1.100 13.732 1.00 25.00 H new ATOM 0 HA GLU A 47 13.901 -0.811 11.552 1.00 25.00 H new ATOM 0 HB2 GLU A 47 11.974 0.437 13.574 1.00 25.00 H new ATOM 0 HB3 GLU A 47 11.501 -0.771 12.395 1.00 25.00 H new ATOM 0 HG2 GLU A 47 13.037 -2.412 13.364 1.00 25.00 H new ATOM 0 HG3 GLU A 47 13.721 -1.206 14.436 1.00 25.00 H new ATOM 734 N CYS A 48 13.062 2.282 11.156 1.00 25.00 N ATOM 735 CA CYS A 48 12.549 3.243 10.175 1.00 25.00 C ATOM 736 C CYS A 48 13.572 4.202 9.548 1.00 25.00 C ATOM 737 O CYS A 48 13.279 4.800 8.529 1.00 25.00 O ATOM 738 CB CYS A 48 11.413 4.056 10.789 1.00 25.00 C ATOM 739 SG CYS A 48 10.059 4.323 9.600 1.00 25.00 S ATOM 0 H CYS A 48 13.507 2.705 11.970 1.00 25.00 H new ATOM 0 HA CYS A 48 12.211 2.618 9.348 1.00 25.00 H new ATOM 0 HB2 CYS A 48 11.029 3.539 11.668 1.00 25.00 H new ATOM 0 HB3 CYS A 48 11.796 5.019 11.127 1.00 25.00 H new ATOM 744 N CYS A 49 14.762 4.346 10.122 1.00 25.00 N ATOM 745 CA CYS A 49 15.799 5.203 9.512 1.00 25.00 C ATOM 746 C CYS A 49 16.854 4.330 8.840 1.00 25.00 C ATOM 747 O CYS A 49 17.293 4.609 7.730 1.00 25.00 O ATOM 748 CB CYS A 49 16.450 6.122 10.561 1.00 25.00 C ATOM 749 SG CYS A 49 17.565 7.406 9.882 1.00 25.00 S ATOM 0 H CYS A 49 15.039 3.894 10.993 1.00 25.00 H new ATOM 0 HA CYS A 49 15.327 5.839 8.763 1.00 25.00 H new ATOM 0 HB2 CYS A 49 15.661 6.612 11.132 1.00 25.00 H new ATOM 0 HB3 CYS A 49 17.014 5.506 11.261 1.00 25.00 H new ATOM 754 N PHE A 50 17.242 3.254 9.513 1.00 25.00 N ATOM 755 CA PHE A 50 18.222 2.315 8.956 1.00 25.00 C ATOM 756 C PHE A 50 17.517 1.222 8.143 1.00 25.00 C ATOM 757 O PHE A 50 18.152 0.486 7.383 1.00 25.00 O ATOM 758 CB PHE A 50 19.053 1.687 10.079 1.00 25.00 C ATOM 759 CG PHE A 50 19.926 2.676 10.814 1.00 25.00 C ATOM 760 CD1 PHE A 50 19.417 3.419 11.895 1.00 25.00 C ATOM 761 CD2 PHE A 50 21.269 2.862 10.438 1.00 25.00 C ATOM 762 CE1 PHE A 50 20.229 4.326 12.602 1.00 25.00 C ATOM 763 CE2 PHE A 50 22.094 3.784 11.138 1.00 25.00 C ATOM 764 CZ PHE A 50 21.565 4.512 12.227 1.00 25.00 C ATOM 0 H PHE A 50 16.898 3.006 10.441 1.00 25.00 H new ATOM 0 HA PHE A 50 18.889 2.865 8.292 1.00 25.00 H new ATOM 0 HB2 PHE A 50 18.381 1.209 10.792 1.00 25.00 H new ATOM 0 HB3 PHE A 50 19.682 0.903 9.658 1.00 25.00 H new ATOM 0 HD1 PHE A 50 18.385 3.291 12.188 1.00 25.00 H new ATOM 0 HD2 PHE A 50 21.676 2.300 9.611 1.00 25.00 H new ATOM 0 HE1 PHE A 50 19.821 4.879 13.435 1.00 25.00 H new ATOM 0 HE2 PHE A 50 23.122 3.927 10.838 1.00 25.00 H new ATOM 0 HZ PHE A 50 22.188 5.209 12.768 1.00 25.00 H new ATOM 774 N ARG A 51 16.200 1.146 8.289 1.00 25.00 N ATOM 775 CA ARG A 51 15.349 0.235 7.513 1.00 25.00 C ATOM 776 C ARG A 51 14.087 1.013 7.221 1.00 25.00 C ATOM 777 O ARG A 51 14.014 2.174 7.555 1.00 25.00 O ATOM 778 CB ARG A 51 14.991 -1.033 8.301 1.00 25.00 C ATOM 779 CG ARG A 51 16.157 -1.988 8.544 1.00 25.00 C ATOM 780 CD ARG A 51 16.686 -2.562 7.233 1.00 25.00 C ATOM 781 NE ARG A 51 17.803 -3.492 7.455 1.00 25.00 N ATOM 782 CZ ARG A 51 18.495 -4.092 6.495 1.00 25.00 C ATOM 783 NH1 ARG A 51 18.228 -3.913 5.223 1.00 25.00 N ATOM 784 NH2 ARG A 51 19.474 -4.889 6.819 1.00 25.00 N ATOM 0 H ARG A 51 15.681 1.719 8.955 1.00 25.00 H new ATOM 0 HA ARG A 51 15.868 -0.093 6.612 1.00 25.00 H new ATOM 0 HB2 ARG A 51 14.574 -0.739 9.264 1.00 25.00 H new ATOM 0 HB3 ARG A 51 14.208 -1.568 7.764 1.00 25.00 H new ATOM 0 HG2 ARG A 51 16.958 -1.462 9.063 1.00 25.00 H new ATOM 0 HG3 ARG A 51 15.835 -2.800 9.195 1.00 25.00 H new ATOM 0 HD2 ARG A 51 15.881 -3.079 6.712 1.00 25.00 H new ATOM 0 HD3 ARG A 51 17.014 -1.748 6.586 1.00 25.00 H new ATOM 0 HE ARG A 51 18.066 -3.691 8.420 1.00 25.00 H new ATOM 0 HH11 ARG A 51 17.466 -3.295 4.944 1.00 25.00 H new ATOM 0 HH12 ARG A 51 18.782 -4.392 4.513 1.00 25.00 H new ATOM 0 HH21 ARG A 51 19.701 -5.045 7.801 1.00 25.00 H new ATOM 0 HH22 ARG A 51 20.014 -5.356 6.090 1.00 25.00 H new ATOM 798 N SER A 52 13.117 0.376 6.592 1.00 25.00 N ATOM 799 CA SER A 52 11.847 0.994 6.267 1.00 25.00 C ATOM 800 C SER A 52 10.777 0.524 7.245 1.00 25.00 C ATOM 801 O SER A 52 10.787 -0.643 7.639 1.00 25.00 O ATOM 802 CB SER A 52 11.476 0.540 4.870 1.00 25.00 C ATOM 803 OG SER A 52 11.471 -0.878 4.804 1.00 25.00 O ATOM 0 H SER A 52 13.190 -0.595 6.290 1.00 25.00 H new ATOM 0 HA SER A 52 11.921 2.080 6.326 1.00 25.00 H new ATOM 0 HB2 SER A 52 10.493 0.928 4.602 1.00 25.00 H new ATOM 0 HB3 SER A 52 12.186 0.943 4.148 1.00 25.00 H new ATOM 0 HG SER A 52 11.229 -1.162 3.898 1.00 25.00 H new ATOM 809 N CYS A 53 9.832 1.392 7.585 1.00 25.00 N ATOM 810 CA CYS A 53 8.730 1.011 8.468 1.00 25.00 C ATOM 811 C CYS A 53 7.421 1.613 7.986 1.00 25.00 C ATOM 812 O CYS A 53 7.407 2.556 7.198 1.00 25.00 O ATOM 813 CB CYS A 53 8.993 1.450 9.913 1.00 25.00 C ATOM 814 SG CYS A 53 8.547 3.177 10.323 1.00 25.00 S ATOM 0 H CYS A 53 9.804 2.360 7.266 1.00 25.00 H new ATOM 0 HA CYS A 53 8.657 -0.076 8.443 1.00 25.00 H new ATOM 0 HB2 CYS A 53 8.442 0.786 10.579 1.00 25.00 H new ATOM 0 HB3 CYS A 53 10.052 1.309 10.127 1.00 25.00 H new ATOM 819 N ASP A 54 6.332 1.067 8.497 1.00 25.00 N ATOM 820 CA ASP A 54 4.983 1.541 8.191 1.00 25.00 C ATOM 821 C ASP A 54 4.428 2.194 9.442 1.00 25.00 C ATOM 822 O ASP A 54 4.935 1.951 10.537 1.00 25.00 O ATOM 823 CB ASP A 54 4.085 0.363 7.807 1.00 25.00 C ATOM 824 CG ASP A 54 4.397 -0.179 6.431 1.00 25.00 C ATOM 825 OD1 ASP A 54 4.272 0.585 5.453 1.00 25.00 O ATOM 826 OD2 ASP A 54 4.745 -1.371 6.327 1.00 25.00 O ATOM 0 H ASP A 54 6.353 0.276 9.141 1.00 25.00 H new ATOM 0 HA ASP A 54 5.015 2.245 7.360 1.00 25.00 H new ATOM 0 HB2 ASP A 54 4.201 -0.433 8.542 1.00 25.00 H new ATOM 0 HB3 ASP A 54 3.042 0.679 7.842 1.00 25.00 H new ATOM 831 N LEU A 55 3.344 2.951 9.302 1.00 25.00 N ATOM 832 CA LEU A 55 2.680 3.589 10.450 1.00 25.00 C ATOM 833 C LEU A 55 2.264 2.554 11.478 1.00 25.00 C ATOM 834 O LEU A 55 2.180 2.828 12.661 1.00 25.00 O ATOM 835 CB LEU A 55 1.443 4.383 9.979 1.00 25.00 C ATOM 836 CG LEU A 55 0.006 3.852 10.181 1.00 25.00 C ATOM 837 CD1 LEU A 55 -0.971 5.025 10.149 1.00 25.00 C ATOM 838 CD2 LEU A 55 -0.380 2.849 9.078 1.00 25.00 C ATOM 0 H LEU A 55 2.900 3.142 8.404 1.00 25.00 H new ATOM 0 HA LEU A 55 3.391 4.273 10.914 1.00 25.00 H new ATOM 0 HB2 LEU A 55 1.490 5.357 10.466 1.00 25.00 H new ATOM 0 HB3 LEU A 55 1.568 4.555 8.910 1.00 25.00 H new ATOM 0 HG LEU A 55 -0.038 3.341 11.143 1.00 25.00 H new ATOM 0 HD11 LEU A 55 -1.987 4.656 10.291 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.724 5.726 10.947 1.00 25.00 H new ATOM 0 HD13 LEU A 55 -0.900 5.531 9.186 1.00 25.00 H new ATOM 0 HD21 LEU A 55 -1.396 2.494 9.249 1.00 25.00 H new ATOM 0 HD22 LEU A 55 -0.325 3.338 8.106 1.00 25.00 H new ATOM 0 HD23 LEU A 55 0.308 2.004 9.098 1.00 25.00 H new ATOM 850 N ALA A 56 1.995 1.358 10.991 1.00 25.00 N ATOM 851 CA ALA A 56 1.513 0.276 11.813 1.00 25.00 C ATOM 852 C ALA A 56 2.630 -0.280 12.708 1.00 25.00 C ATOM 853 O ALA A 56 2.423 -0.526 13.888 1.00 25.00 O ATOM 854 CB ALA A 56 0.953 -0.780 10.893 1.00 25.00 C ATOM 0 H ALA A 56 2.107 1.113 10.007 1.00 25.00 H new ATOM 0 HA ALA A 56 0.733 0.628 12.488 1.00 25.00 H new ATOM 0 HB1 ALA A 56 0.578 -1.616 11.484 1.00 25.00 H new ATOM 0 HB2 ALA A 56 0.138 -0.356 10.306 1.00 25.00 H new ATOM 0 HB3 ALA A 56 1.737 -1.132 10.223 1.00 25.00 H new ATOM 860 N LEU A 57 3.828 -0.416 12.150 1.00 25.00 N ATOM 861 CA LEU A 57 4.997 -0.851 12.919 1.00 25.00 C ATOM 862 C LEU A 57 5.325 0.251 13.918 1.00 25.00 C ATOM 863 O LEU A 57 5.600 0.012 15.088 1.00 25.00 O ATOM 864 CB LEU A 57 6.179 -1.087 11.958 1.00 25.00 C ATOM 865 CG LEU A 57 7.477 -1.706 12.518 1.00 25.00 C ATOM 866 CD1 LEU A 57 8.274 -2.305 11.357 1.00 25.00 C ATOM 867 CD2 LEU A 57 8.363 -0.712 13.267 1.00 25.00 C ATOM 0 H LEU A 57 4.019 -0.232 11.165 1.00 25.00 H new ATOM 0 HA LEU A 57 4.799 -1.783 13.448 1.00 25.00 H new ATOM 0 HB2 LEU A 57 5.826 -1.731 11.152 1.00 25.00 H new ATOM 0 HB3 LEU A 57 6.437 -0.128 11.509 1.00 25.00 H new ATOM 0 HG LEU A 57 7.179 -2.464 13.243 1.00 25.00 H new ATOM 0 HD11 LEU A 57 9.195 -2.747 11.738 1.00 25.00 H new ATOM 0 HD12 LEU A 57 7.679 -3.074 10.866 1.00 25.00 H new ATOM 0 HD13 LEU A 57 8.517 -1.521 10.640 1.00 25.00 H new ATOM 0 HD21 LEU A 57 9.255 -1.222 13.630 1.00 25.00 H new ATOM 0 HD22 LEU A 57 8.654 0.095 12.594 1.00 25.00 H new ATOM 0 HD23 LEU A 57 7.812 -0.298 14.112 1.00 25.00 H new ATOM 879 N LEU A 58 5.266 1.474 13.431 1.00 25.00 N ATOM 880 CA LEU A 58 5.575 2.654 14.201 1.00 25.00 C ATOM 881 C LEU A 58 4.655 2.857 15.409 1.00 25.00 C ATOM 882 O LEU A 58 5.101 3.253 16.484 1.00 25.00 O ATOM 883 CB LEU A 58 5.500 3.808 13.213 1.00 25.00 C ATOM 884 CG LEU A 58 6.036 5.145 13.658 1.00 25.00 C ATOM 885 CD1 LEU A 58 6.662 5.851 12.478 1.00 25.00 C ATOM 886 CD2 LEU A 58 4.934 5.981 14.221 1.00 25.00 C ATOM 0 H LEU A 58 4.996 1.676 12.468 1.00 25.00 H new ATOM 0 HA LEU A 58 6.563 2.570 14.653 1.00 25.00 H new ATOM 0 HB2 LEU A 58 6.038 3.514 12.312 1.00 25.00 H new ATOM 0 HB3 LEU A 58 4.455 3.942 12.932 1.00 25.00 H new ATOM 0 HG LEU A 58 6.788 4.990 14.432 1.00 25.00 H new ATOM 0 HD11 LEU A 58 7.050 6.818 12.797 1.00 25.00 H new ATOM 0 HD12 LEU A 58 7.477 5.245 12.082 1.00 25.00 H new ATOM 0 HD13 LEU A 58 5.911 6.000 11.702 1.00 25.00 H new ATOM 0 HD21 LEU A 58 5.334 6.944 14.539 1.00 25.00 H new ATOM 0 HD22 LEU A 58 4.171 6.139 13.459 1.00 25.00 H new ATOM 0 HD23 LEU A 58 4.492 5.471 15.077 1.00 25.00 H new ATOM 898 N GLU A 59 3.386 2.529 15.241 1.00 25.00 N ATOM 899 CA GLU A 59 2.386 2.652 16.302 1.00 25.00 C ATOM 900 C GLU A 59 2.682 1.771 17.518 1.00 25.00 C ATOM 901 O GLU A 59 2.296 2.100 18.634 1.00 25.00 O ATOM 902 CB GLU A 59 1.013 2.307 15.711 1.00 25.00 C ATOM 903 CG GLU A 59 -0.181 2.561 16.635 1.00 25.00 C ATOM 904 CD GLU A 59 -0.398 1.457 17.637 1.00 25.00 C ATOM 905 OE1 GLU A 59 -0.254 0.290 17.390 1.00 25.00 O ATOM 906 OE2 GLU A 59 -0.779 1.890 18.799 1.00 25.00 O ATOM 0 H GLU A 59 3.013 2.168 14.363 1.00 25.00 H new ATOM 0 HA GLU A 59 2.407 3.678 16.668 1.00 25.00 H new ATOM 0 HB2 GLU A 59 0.874 2.885 14.798 1.00 25.00 H new ATOM 0 HB3 GLU A 59 1.013 1.255 15.426 1.00 25.00 H new ATOM 0 HG2 GLU A 59 -0.029 3.501 17.166 1.00 25.00 H new ATOM 0 HG3 GLU A 59 -1.081 2.678 16.032 1.00 25.00 H new ATOM 914 N THR A 60 3.403 0.681 17.325 1.00 25.00 N ATOM 915 CA THR A 60 3.716 -0.226 18.434 1.00 25.00 C ATOM 916 C THR A 60 4.562 0.445 19.519 1.00 25.00 C ATOM 917 O THR A 60 4.627 -0.025 20.653 1.00 25.00 O ATOM 918 CB THR A 60 4.425 -1.496 17.942 1.00 25.00 C ATOM 919 OG1 THR A 60 5.742 -1.174 17.488 1.00 25.00 O ATOM 920 CG2 THR A 60 3.645 -2.121 16.792 1.00 25.00 C ATOM 0 H THR A 60 3.784 0.397 16.422 1.00 25.00 H new ATOM 0 HA THR A 60 2.757 -0.501 18.874 1.00 25.00 H new ATOM 0 HB THR A 60 4.483 -2.203 18.770 1.00 25.00 H new ATOM 0 HG1 THR A 60 5.685 -0.553 16.732 1.00 25.00 H new ATOM 0 HG21 THR A 60 4.157 -3.021 16.451 1.00 25.00 H new ATOM 0 HG22 THR A 60 2.642 -2.381 17.131 1.00 25.00 H new ATOM 0 HG23 THR A 60 3.577 -1.409 15.969 1.00 25.00 H new ATOM 928 N TYR A 61 5.220 1.540 19.163 1.00 25.00 N ATOM 929 CA TYR A 61 6.043 2.286 20.107 1.00 25.00 C ATOM 930 C TYR A 61 5.265 3.301 20.951 1.00 25.00 C ATOM 931 O TYR A 61 5.865 3.979 21.783 1.00 25.00 O ATOM 932 CB TYR A 61 7.167 2.996 19.350 1.00 25.00 C ATOM 933 CG TYR A 61 8.342 2.085 19.103 1.00 25.00 C ATOM 934 CD1 TYR A 61 9.423 2.057 20.007 1.00 25.00 C ATOM 935 CD2 TYR A 61 8.381 1.230 17.979 1.00 25.00 C ATOM 936 CE1 TYR A 61 10.515 1.184 19.806 1.00 25.00 C ATOM 937 CE2 TYR A 61 9.482 0.356 17.772 1.00 25.00 C ATOM 938 CZ TYR A 61 10.529 0.337 18.698 1.00 25.00 C ATOM 939 OH TYR A 61 11.589 -0.506 18.534 1.00 25.00 O ATOM 0 H TYR A 61 5.200 1.934 18.222 1.00 25.00 H new ATOM 0 HA TYR A 61 6.444 1.556 20.810 1.00 25.00 H new ATOM 0 HB2 TYR A 61 6.787 3.364 18.397 1.00 25.00 H new ATOM 0 HB3 TYR A 61 7.495 3.865 19.920 1.00 25.00 H new ATOM 0 HD1 TYR A 61 9.416 2.712 20.865 1.00 25.00 H new ATOM 0 HD2 TYR A 61 7.566 1.241 17.270 1.00 25.00 H new ATOM 0 HE1 TYR A 61 11.336 1.172 20.508 1.00 25.00 H new ATOM 0 HE2 TYR A 61 9.510 -0.289 16.906 1.00 25.00 H new ATOM 0 HH TYR A 61 11.470 -1.025 17.711 1.00 25.00 H new ATOM 949 N CYS A 62 3.953 3.408 20.776 1.00 25.00 N ATOM 950 CA CYS A 62 3.164 4.341 21.590 1.00 25.00 C ATOM 951 C CYS A 62 3.263 3.977 23.074 1.00 25.00 C ATOM 952 O CYS A 62 3.400 2.812 23.434 1.00 25.00 O ATOM 953 CB CYS A 62 1.694 4.340 21.160 1.00 25.00 C ATOM 954 SG CYS A 62 1.401 4.915 19.455 1.00 25.00 S ATOM 0 H CYS A 62 3.416 2.874 20.093 1.00 25.00 H new ATOM 0 HA CYS A 62 3.573 5.340 21.437 1.00 25.00 H new ATOM 0 HB2 CYS A 62 1.300 3.329 21.261 1.00 25.00 H new ATOM 0 HB3 CYS A 62 1.128 4.972 21.845 1.00 25.00 H new ATOM 959 N ALA A 63 3.219 4.985 23.936 1.00 25.00 N ATOM 960 CA ALA A 63 3.377 4.767 25.372 1.00 25.00 C ATOM 961 C ALA A 63 2.103 4.194 25.991 1.00 25.00 C ATOM 962 O ALA A 63 2.129 3.612 27.073 1.00 25.00 O ATOM 963 CB ALA A 63 3.768 6.078 26.058 1.00 25.00 C ATOM 0 H ALA A 63 3.076 5.959 23.669 1.00 25.00 H new ATOM 0 HA ALA A 63 4.172 4.036 25.522 1.00 25.00 H new ATOM 0 HB1 ALA A 63 3.884 5.908 27.128 1.00 25.00 H new ATOM 0 HB2 ALA A 63 4.709 6.439 25.644 1.00 25.00 H new ATOM 0 HB3 ALA A 63 2.989 6.822 25.891 1.00 25.00 H new ATOM 969 N THR A 64 0.998 4.358 25.285 1.00 25.00 N ATOM 970 CA THR A 64 -0.293 3.834 25.701 1.00 25.00 C ATOM 971 C THR A 64 -1.065 3.681 24.385 1.00 25.00 C ATOM 972 O THR A 64 -0.764 4.387 23.414 1.00 25.00 O ATOM 973 CB THR A 64 -0.995 4.801 26.713 1.00 25.00 C ATOM 974 OG1 THR A 64 -2.040 4.123 27.412 1.00 25.00 O ATOM 975 CG2 THR A 64 -1.596 5.995 26.026 1.00 25.00 C ATOM 0 H THR A 64 0.970 4.863 24.399 1.00 25.00 H new ATOM 0 HA THR A 64 -0.224 2.888 26.238 1.00 25.00 H new ATOM 0 HB THR A 64 -0.224 5.137 27.406 1.00 25.00 H new ATOM 0 HG1 THR A 64 -2.467 4.741 28.041 1.00 25.00 H new ATOM 0 HG21 THR A 64 -2.072 6.639 26.765 1.00 25.00 H new ATOM 0 HG22 THR A 64 -0.812 6.551 25.512 1.00 25.00 H new ATOM 0 HG23 THR A 64 -2.340 5.662 25.302 1.00 25.00 H new ATOM 983 N PRO A 65 -2.012 2.736 24.303 1.00 25.00 N ATOM 984 CA PRO A 65 -2.747 2.553 23.047 1.00 25.00 C ATOM 985 C PRO A 65 -3.795 3.633 22.795 1.00 25.00 C ATOM 986 O PRO A 65 -4.253 4.313 23.719 1.00 25.00 O ATOM 987 CB PRO A 65 -3.423 1.197 23.249 1.00 25.00 C ATOM 988 CG PRO A 65 -3.683 1.148 24.713 1.00 25.00 C ATOM 989 CD PRO A 65 -2.456 1.778 25.331 1.00 25.00 C ATOM 0 HA PRO A 65 -2.087 2.610 22.182 1.00 25.00 H new ATOM 0 HB2 PRO A 65 -4.347 1.121 22.675 1.00 25.00 H new ATOM 0 HB3 PRO A 65 -2.780 0.377 22.929 1.00 25.00 H new ATOM 0 HG2 PRO A 65 -4.587 1.697 24.975 1.00 25.00 H new ATOM 0 HG3 PRO A 65 -3.821 0.123 25.059 1.00 25.00 H new ATOM 0 HD2 PRO A 65 -2.690 2.277 26.271 1.00 25.00 H new ATOM 0 HD3 PRO A 65 -1.688 1.035 25.547 1.00 25.00 H new ATOM 997 N ALA A 66 -4.207 3.749 21.542 1.00 25.00 N ATOM 998 CA ALA A 66 -5.292 4.646 21.171 1.00 25.00 C ATOM 999 C ALA A 66 -6.596 4.060 21.699 1.00 25.00 C ATOM 1000 O ALA A 66 -6.729 2.842 21.837 1.00 25.00 O ATOM 1001 CB ALA A 66 -5.372 4.775 19.650 1.00 25.00 C ATOM 0 H ALA A 66 -3.805 3.231 20.761 1.00 25.00 H new ATOM 0 HA ALA A 66 -5.116 5.634 21.596 1.00 25.00 H new ATOM 0 HB1 ALA A 66 -6.187 5.448 19.384 1.00 25.00 H new ATOM 0 HB2 ALA A 66 -4.432 5.175 19.269 1.00 25.00 H new ATOM 0 HB3 ALA A 66 -5.554 3.794 19.211 1.00 25.00 H new ATOM 1007 N LYS A 67 -7.587 4.912 21.908 1.00 25.00 N ATOM 1008 CA LYS A 67 -8.918 4.438 22.262 1.00 25.00 C ATOM 1009 C LYS A 67 -9.997 5.241 21.568 1.00 25.00 C ATOM 1010 O LYS A 67 -10.226 6.400 21.906 1.00 25.00 O ATOM 1011 CB LYS A 67 -9.153 4.515 23.767 1.00 25.00 C ATOM 1012 CG LYS A 67 -10.527 3.980 24.128 1.00 25.00 C ATOM 1013 CD LYS A 67 -10.988 4.468 25.490 1.00 25.00 C ATOM 1014 CE LYS A 67 -12.491 4.251 25.662 1.00 25.00 C ATOM 1015 NZ LYS A 67 -13.281 5.076 24.669 1.00 25.00 N ATOM 0 H LYS A 67 -7.498 5.926 21.840 1.00 25.00 H new ATOM 0 HA LYS A 67 -8.972 3.400 21.935 1.00 25.00 H new ATOM 0 HB2 LYS A 67 -8.386 3.942 24.289 1.00 25.00 H new ATOM 0 HB3 LYS A 67 -9.061 5.548 24.101 1.00 25.00 H new ATOM 0 HG2 LYS A 67 -11.247 4.288 23.370 1.00 25.00 H new ATOM 0 HG3 LYS A 67 -10.505 2.890 24.122 1.00 25.00 H new ATOM 0 HD2 LYS A 67 -10.447 3.938 26.274 1.00 25.00 H new ATOM 0 HD3 LYS A 67 -10.753 5.527 25.601 1.00 25.00 H new ATOM 0 HE2 LYS A 67 -12.726 3.195 25.530 1.00 25.00 H new ATOM 0 HE3 LYS A 67 -12.786 4.518 26.677 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 -14.271 5.140 24.981 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 -12.874 6.031 24.609 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 -13.242 4.624 23.733 1.00 25.00 H new ATOM 1029 N SER A 68 -10.711 4.569 20.674 1.00 25.00 N ATOM 1030 CA SER A 68 -11.881 5.139 19.981 1.00 25.00 C ATOM 1031 C SER A 68 -11.437 6.346 19.182 1.00 25.00 C ATOM 1032 O SER A 68 -12.162 7.325 19.025 1.00 25.00 O ATOM 1033 CB SER A 68 -13.002 5.508 20.963 1.00 25.00 C ATOM 1034 OG SER A 68 -13.365 4.384 21.760 1.00 25.00 O ATOM 0 H SER A 68 -10.502 3.609 20.401 1.00 25.00 H new ATOM 0 HA SER A 68 -12.293 4.387 19.308 1.00 25.00 H new ATOM 0 HB2 SER A 68 -12.674 6.325 21.606 1.00 25.00 H new ATOM 0 HB3 SER A 68 -13.872 5.865 20.412 1.00 25.00 H new ATOM 0 HG SER A 68 -14.298 4.474 22.047 1.00 25.00 H new ATOM 1040 N GLU A 69 -10.221 6.222 18.688 1.00 25.00 N ATOM 1041 CA GLU A 69 -9.584 7.196 17.814 1.00 25.00 C ATOM 1042 C GLU A 69 -9.174 6.382 16.604 1.00 25.00 C ATOM 1043 O GLU A 69 -8.960 5.165 16.819 1.00 25.00 O ATOM 1044 CB GLU A 69 -8.339 7.783 18.479 1.00 25.00 C ATOM 1045 CG GLU A 69 -8.617 8.615 19.718 1.00 25.00 C ATOM 1046 CD GLU A 69 -7.434 8.675 20.638 1.00 25.00 C ATOM 1047 OE1 GLU A 69 -7.101 7.772 21.371 1.00 25.00 O ATOM 1048 OE2 GLU A 69 -6.782 9.782 20.571 1.00 25.00 O ATOM 1049 OXT GLU A 69 -9.098 6.923 15.489 1.00 25.00 O ATOM 0 H GLU A 69 -9.628 5.417 18.888 1.00 25.00 H new ATOM 0 HA GLU A 69 -10.242 8.031 17.574 1.00 25.00 H new ATOM 0 HB2 GLU A 69 -7.668 6.967 18.748 1.00 25.00 H new ATOM 0 HB3 GLU A 69 -7.813 8.402 17.752 1.00 25.00 H new ATOM 0 HG2 GLU A 69 -8.895 9.626 19.420 1.00 25.00 H new ATOM 0 HG3 GLU A 69 -9.469 8.195 20.252 1.00 25.00 H new TER 1056 GLU A 69