USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -163:sc= 1.28 (180deg=1.19) USER MOD Single : A 2 SER OG : rot 117:sc= 0.263 USER MOD Single : A 5 LYS NZ :NH3+ -167:sc= 0.39 (180deg=0.0723) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.613 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0587 K(o=-0.059,f=-1.1) USER MOD Single : A 20 HIS : no HD1:sc= 0.231 K(o=0.23,f=-1.5!) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= 0.602 (180deg=0.113) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.216 K(o=-0.22,f=-1.5) USER MOD Single : A 35 HIS : no HD1:sc=-0.00694 X(o=-0.0069,f=-0.024) USER MOD Single : A 37 LYS NZ :NH3+ -125:sc= 1.16 (180deg=0.147) USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 1.14 (180deg=1.11) USER MOD Single : A 43 LYS NZ :NH3+ -172:sc=-0.00252 (180deg=-0.104) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 0.857 (180deg=0.754) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0.444 K(o=0.44,f=-0.81) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.267 K(o=0.27,f=-6.9!) USER MOD Single : A 66 LYS NZ :NH3+ 163:sc= -0.0319 (180deg=-0.333) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= -0.0345 (180deg=-0.239) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.745 17.307 -38.952 1.00 0.00 N ATOM 2 CA GLY A 1 14.622 17.745 -40.359 1.00 0.00 C ATOM 3 C GLY A 1 15.801 18.581 -40.801 1.00 0.00 C ATOM 4 O GLY A 1 16.865 18.541 -40.178 1.00 0.00 O ATOM 0 H1 GLY A 1 14.089 16.520 -38.775 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.720 16.993 -38.770 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.513 18.100 -38.320 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.537 16.870 -41.004 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.705 18.321 -40.480 1.00 0.00 H new ATOM 10 N SER A 2 15.615 19.344 -41.872 1.00 0.00 N ATOM 11 CA SER A 2 16.666 20.200 -42.408 1.00 0.00 C ATOM 12 C SER A 2 17.069 21.272 -41.393 1.00 0.00 C ATOM 13 O SER A 2 18.121 21.185 -40.768 1.00 0.00 O ATOM 14 CB SER A 2 16.193 20.848 -43.713 1.00 0.00 C ATOM 15 OG SER A 2 14.934 21.482 -43.527 1.00 0.00 O ATOM 0 H SER A 2 14.737 19.387 -42.390 1.00 0.00 H new ATOM 0 HA SER A 2 17.543 19.586 -42.613 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.928 21.579 -44.050 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.114 20.091 -44.494 1.00 0.00 H new ATOM 0 HG SER A 2 15.028 22.446 -43.676 1.00 0.00 H new ATOM 21 N VAL A 3 16.221 22.269 -41.230 1.00 0.00 N ATOM 22 CA VAL A 3 16.471 23.336 -40.282 1.00 0.00 C ATOM 23 C VAL A 3 15.908 22.966 -38.907 1.00 0.00 C ATOM 24 O VAL A 3 16.466 23.328 -37.869 1.00 0.00 O ATOM 25 CB VAL A 3 15.865 24.682 -40.774 1.00 0.00 C ATOM 26 CG1 VAL A 3 14.353 24.581 -40.944 1.00 0.00 C ATOM 27 CG2 VAL A 3 16.233 25.823 -39.834 1.00 0.00 C ATOM 0 H VAL A 3 15.346 22.362 -41.747 1.00 0.00 H new ATOM 0 HA VAL A 3 17.550 23.467 -40.198 1.00 0.00 H new ATOM 0 HB VAL A 3 16.294 24.899 -41.752 1.00 0.00 H new ATOM 0 HG11 VAL A 3 13.961 25.538 -41.289 1.00 0.00 H new ATOM 0 HG12 VAL A 3 14.120 23.808 -41.677 1.00 0.00 H new ATOM 0 HG13 VAL A 3 13.896 24.325 -39.988 1.00 0.00 H new ATOM 0 HG21 VAL A 3 15.797 26.752 -40.201 1.00 0.00 H new ATOM 0 HG22 VAL A 3 15.848 25.611 -38.836 1.00 0.00 H new ATOM 0 HG23 VAL A 3 17.317 25.924 -39.791 1.00 0.00 H new ATOM 37 N GLU A 4 14.819 22.211 -38.914 1.00 0.00 N ATOM 38 CA GLU A 4 14.171 21.780 -37.692 1.00 0.00 C ATOM 39 C GLU A 4 14.880 20.546 -37.081 1.00 0.00 C ATOM 40 O GLU A 4 14.375 19.425 -37.160 1.00 0.00 O ATOM 41 CB GLU A 4 12.689 21.473 -37.957 1.00 0.00 C ATOM 42 CG GLU A 4 12.435 20.597 -39.171 1.00 0.00 C ATOM 43 CD GLU A 4 10.966 20.320 -39.382 1.00 0.00 C ATOM 44 OE1 GLU A 4 10.212 21.281 -39.641 1.00 0.00 O ATOM 45 OE2 GLU A 4 10.563 19.140 -39.316 1.00 0.00 O1- ATOM 0 H GLU A 4 14.364 21.883 -39.766 1.00 0.00 H new ATOM 0 HA GLU A 4 14.240 22.593 -36.969 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.269 20.984 -37.078 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.153 22.414 -38.085 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.842 21.083 -40.058 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.967 19.653 -39.052 1.00 0.00 H new ATOM 52 N LYS A 5 16.084 20.742 -36.535 1.00 0.00 N ATOM 53 CA LYS A 5 16.793 19.661 -35.875 1.00 0.00 C ATOM 54 C LYS A 5 16.537 19.727 -34.383 1.00 0.00 C ATOM 55 O LYS A 5 16.461 18.707 -33.703 1.00 0.00 O ATOM 56 CB LYS A 5 18.290 19.761 -36.153 1.00 0.00 C ATOM 57 CG LYS A 5 18.630 19.803 -37.628 1.00 0.00 C ATOM 58 CD LYS A 5 20.126 19.874 -37.847 1.00 0.00 C ATOM 59 CE LYS A 5 20.469 19.900 -39.324 1.00 0.00 C ATOM 60 NZ LYS A 5 19.899 18.735 -40.043 1.00 0.00 N1+ ATOM 0 H LYS A 5 16.578 21.634 -36.541 1.00 0.00 H new ATOM 0 HA LYS A 5 16.432 18.709 -36.263 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.681 20.658 -35.673 1.00 0.00 H new ATOM 0 HB3 LYS A 5 18.794 18.909 -35.696 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.230 18.917 -38.121 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.152 20.667 -38.089 1.00 0.00 H new ATOM 0 HD2 LYS A 5 20.524 20.766 -37.364 1.00 0.00 H new ATOM 0 HD3 LYS A 5 20.605 19.016 -37.376 1.00 0.00 H new ATOM 0 HE2 LYS A 5 20.092 20.821 -39.768 1.00 0.00 H new ATOM 0 HE3 LYS A 5 21.552 19.907 -39.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.329 18.665 -40.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.097 17.866 -39.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.871 18.856 -40.139 1.00 0.00 H new ATOM 74 N LEU A 6 16.400 20.944 -33.891 1.00 0.00 N ATOM 75 CA LEU A 6 16.132 21.199 -32.487 1.00 0.00 C ATOM 76 C LEU A 6 15.098 22.310 -32.372 1.00 0.00 C ATOM 77 O LEU A 6 14.108 22.188 -31.647 1.00 0.00 O ATOM 78 CB LEU A 6 17.430 21.600 -31.756 1.00 0.00 C ATOM 79 CG LEU A 6 18.556 20.562 -31.770 1.00 0.00 C ATOM 80 CD1 LEU A 6 19.841 21.160 -31.227 1.00 0.00 C ATOM 81 CD2 LEU A 6 18.162 19.337 -30.960 1.00 0.00 C ATOM 0 H LEU A 6 16.472 21.789 -34.457 1.00 0.00 H new ATOM 0 HA LEU A 6 15.746 20.292 -32.022 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.806 22.521 -32.203 1.00 0.00 H new ATOM 0 HB3 LEU A 6 17.184 21.826 -30.718 1.00 0.00 H new ATOM 0 HG LEU A 6 18.726 20.257 -32.803 1.00 0.00 H new ATOM 0 HD11 LEU A 6 20.629 20.407 -31.245 1.00 0.00 H new ATOM 0 HD12 LEU A 6 20.136 22.009 -31.844 1.00 0.00 H new ATOM 0 HD13 LEU A 6 19.682 21.494 -30.202 1.00 0.00 H new ATOM 0 HD21 LEU A 6 18.974 18.610 -30.981 1.00 0.00 H new ATOM 0 HD22 LEU A 6 17.965 19.631 -29.929 1.00 0.00 H new ATOM 0 HD23 LEU A 6 17.265 18.891 -31.388 1.00 0.00 H new ATOM 93 N THR A 7 15.337 23.386 -33.125 1.00 0.00 N ATOM 94 CA THR A 7 14.458 24.545 -33.182 1.00 0.00 C ATOM 95 C THR A 7 14.255 25.199 -31.802 1.00 0.00 C ATOM 96 O THR A 7 14.993 26.112 -31.431 1.00 0.00 O ATOM 97 CB THR A 7 13.099 24.192 -33.824 1.00 0.00 C ATOM 98 OG1 THR A 7 13.323 23.454 -35.036 1.00 0.00 O ATOM 99 CG2 THR A 7 12.311 25.454 -34.149 1.00 0.00 C ATOM 0 H THR A 7 16.161 23.473 -33.720 1.00 0.00 H new ATOM 0 HA THR A 7 14.957 25.278 -33.816 1.00 0.00 H new ATOM 0 HB THR A 7 12.527 23.592 -33.116 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.462 23.227 -35.445 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.357 25.181 -34.600 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.131 26.017 -33.233 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.880 26.069 -34.847 1.00 0.00 H new ATOM 107 N ALA A 8 13.273 24.720 -31.045 1.00 0.00 N ATOM 108 CA ALA A 8 12.971 25.285 -29.738 1.00 0.00 C ATOM 109 C ALA A 8 12.223 24.280 -28.872 1.00 0.00 C ATOM 110 O ALA A 8 11.578 24.652 -27.882 1.00 0.00 O ATOM 111 CB ALA A 8 12.147 26.556 -29.898 1.00 0.00 C ATOM 0 H ALA A 8 12.673 23.941 -31.316 1.00 0.00 H new ATOM 0 HA ALA A 8 13.911 25.528 -29.243 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.925 26.972 -28.915 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.711 27.284 -30.482 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.214 26.323 -30.412 1.00 0.00 H new ATOM 117 N ASP A 9 12.331 23.003 -29.220 1.00 0.00 N ATOM 118 CA ASP A 9 11.627 21.952 -28.480 1.00 0.00 C ATOM 119 C ASP A 9 12.212 21.768 -27.091 1.00 0.00 C ATOM 120 O ASP A 9 11.504 21.395 -26.153 1.00 0.00 O ATOM 121 CB ASP A 9 11.622 20.618 -29.246 1.00 0.00 C ATOM 122 CG ASP A 9 10.754 20.664 -30.485 1.00 0.00 C ATOM 123 OD1 ASP A 9 11.296 20.877 -31.593 1.00 0.00 O ATOM 124 OD2 ASP A 9 9.527 20.496 -30.359 1.00 0.00 O1- ATOM 0 H ASP A 9 12.893 22.668 -30.002 1.00 0.00 H new ATOM 0 HA ASP A 9 10.592 22.277 -28.374 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.643 20.362 -29.531 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.267 19.826 -28.587 1.00 0.00 H new ATOM 129 N ALA A 10 13.499 22.052 -26.947 1.00 0.00 N ATOM 130 CA ALA A 10 14.152 21.931 -25.648 1.00 0.00 C ATOM 131 C ALA A 10 13.708 23.061 -24.725 1.00 0.00 C ATOM 132 O ALA A 10 13.680 22.902 -23.501 1.00 0.00 O ATOM 133 CB ALA A 10 15.680 21.898 -25.782 1.00 0.00 C ATOM 0 H ALA A 10 14.107 22.365 -27.704 1.00 0.00 H new ATOM 0 HA ALA A 10 13.848 20.982 -25.207 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.130 21.807 -24.793 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.973 21.045 -26.394 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.024 22.818 -26.254 1.00 0.00 H new ATOM 139 N GLU A 11 13.327 24.188 -25.323 1.00 0.00 N ATOM 140 CA GLU A 11 12.864 25.347 -24.562 1.00 0.00 C ATOM 141 C GLU A 11 11.480 25.070 -23.991 1.00 0.00 C ATOM 142 O GLU A 11 11.237 25.259 -22.793 1.00 0.00 O ATOM 143 CB GLU A 11 12.839 26.609 -25.447 1.00 0.00 C ATOM 144 CG GLU A 11 12.427 27.877 -24.716 1.00 0.00 C ATOM 145 CD GLU A 11 12.481 29.097 -25.609 1.00 0.00 C ATOM 146 OE1 GLU A 11 11.420 29.526 -26.106 1.00 0.00 O ATOM 147 OE2 GLU A 11 13.590 29.625 -25.832 1.00 0.00 O1- ATOM 0 H GLU A 11 13.330 24.323 -26.334 1.00 0.00 H new ATOM 0 HA GLU A 11 13.558 25.525 -23.741 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.830 26.757 -25.877 1.00 0.00 H new ATOM 0 HB3 GLU A 11 12.153 26.443 -26.277 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.415 27.758 -24.328 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.082 28.028 -23.858 1.00 0.00 H new ATOM 154 N LEU A 12 10.584 24.591 -24.851 1.00 0.00 N ATOM 155 CA LEU A 12 9.216 24.261 -24.434 1.00 0.00 C ATOM 156 C LEU A 12 9.233 23.166 -23.376 1.00 0.00 C ATOM 157 O LEU A 12 8.453 23.192 -22.427 1.00 0.00 O ATOM 158 CB LEU A 12 8.358 23.812 -25.633 1.00 0.00 C ATOM 159 CG LEU A 12 6.901 23.466 -25.313 1.00 0.00 C ATOM 160 CD1 LEU A 12 6.149 24.694 -24.819 1.00 0.00 C ATOM 161 CD2 LEU A 12 6.214 22.869 -26.531 1.00 0.00 C ATOM 0 H LEU A 12 10.776 24.422 -25.838 1.00 0.00 H new ATOM 0 HA LEU A 12 8.772 25.163 -24.012 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.368 24.605 -26.381 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.828 22.940 -26.087 1.00 0.00 H new ATOM 0 HG LEU A 12 6.894 22.722 -24.516 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.116 24.424 -24.598 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.626 25.074 -23.915 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.165 25.465 -25.589 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.180 22.629 -26.284 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.235 23.589 -27.350 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.735 21.960 -26.833 1.00 0.00 H new ATOM 173 N GLN A 13 10.142 22.213 -23.545 1.00 0.00 N ATOM 174 CA GLN A 13 10.282 21.104 -22.599 1.00 0.00 C ATOM 175 C GLN A 13 10.587 21.630 -21.197 1.00 0.00 C ATOM 176 O GLN A 13 9.979 21.194 -20.219 1.00 0.00 O ATOM 177 CB GLN A 13 11.384 20.134 -23.047 1.00 0.00 C ATOM 178 CG GLN A 13 11.490 18.885 -22.190 1.00 0.00 C ATOM 179 CD GLN A 13 12.637 17.993 -22.614 1.00 0.00 C ATOM 180 OE1 GLN A 13 13.663 18.473 -23.100 1.00 0.00 O ATOM 181 NE2 GLN A 13 12.468 16.697 -22.454 1.00 0.00 N ATOM 0 H GLN A 13 10.795 22.183 -24.328 1.00 0.00 H new ATOM 0 HA GLN A 13 9.336 20.563 -22.575 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.197 19.839 -24.080 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.341 20.655 -23.032 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.623 19.173 -21.147 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.556 18.326 -22.250 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.603 16.342 -22.047 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.203 16.048 -22.737 1.00 0.00 H new ATOM 190 N ARG A 14 11.518 22.581 -21.112 1.00 0.00 N ATOM 191 CA ARG A 14 11.896 23.170 -19.825 1.00 0.00 C ATOM 192 C ARG A 14 10.737 23.943 -19.221 1.00 0.00 C ATOM 193 O ARG A 14 10.453 23.825 -18.031 1.00 0.00 O ATOM 194 CB ARG A 14 13.111 24.097 -19.966 1.00 0.00 C ATOM 195 CG ARG A 14 14.397 23.384 -20.339 1.00 0.00 C ATOM 196 CD ARG A 14 15.589 24.333 -20.319 1.00 0.00 C ATOM 197 NE ARG A 14 15.833 24.891 -18.980 1.00 0.00 N ATOM 198 CZ ARG A 14 17.019 25.359 -18.562 1.00 0.00 C ATOM 199 NH1 ARG A 14 18.069 25.348 -19.378 1.00 0.00 N1+ ATOM 200 NH2 ARG A 14 17.150 25.839 -17.330 1.00 0.00 N ATOM 0 H ARG A 14 12.022 22.959 -21.914 1.00 0.00 H new ATOM 0 HA ARG A 14 12.162 22.347 -19.162 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.893 24.850 -20.723 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.262 24.626 -19.025 1.00 0.00 H new ATOM 0 HG2 ARG A 14 14.573 22.563 -19.645 1.00 0.00 H new ATOM 0 HG3 ARG A 14 14.296 22.946 -21.332 1.00 0.00 H new ATOM 0 HD2 ARG A 14 16.479 23.803 -20.657 1.00 0.00 H new ATOM 0 HD3 ARG A 14 15.415 25.146 -21.024 1.00 0.00 H new ATOM 0 HE ARG A 14 15.050 24.924 -18.327 1.00 0.00 H new ATOM 0 HH11 ARG A 14 17.975 24.983 -20.326 1.00 0.00 H new ATOM 0 HH12 ARG A 14 18.969 25.705 -19.056 1.00 0.00 H new ATOM 0 HH21 ARG A 14 16.348 25.852 -16.700 1.00 0.00 H new ATOM 0 HH22 ARG A 14 18.053 26.194 -17.014 1.00 0.00 H new ATOM 214 N LEU A 15 10.058 24.722 -20.050 1.00 0.00 N ATOM 215 CA LEU A 15 8.936 25.525 -19.590 1.00 0.00 C ATOM 216 C LEU A 15 7.794 24.642 -19.085 1.00 0.00 C ATOM 217 O LEU A 15 7.123 24.983 -18.118 1.00 0.00 O ATOM 218 CB LEU A 15 8.440 26.466 -20.706 1.00 0.00 C ATOM 219 CG LEU A 15 9.467 27.468 -21.238 1.00 0.00 C ATOM 220 CD1 LEU A 15 8.892 28.248 -22.409 1.00 0.00 C ATOM 221 CD2 LEU A 15 9.912 28.417 -20.137 1.00 0.00 C ATOM 0 H LEU A 15 10.265 24.815 -21.045 1.00 0.00 H new ATOM 0 HA LEU A 15 9.285 26.135 -18.756 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.089 25.857 -21.539 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.579 27.021 -20.332 1.00 0.00 H new ATOM 0 HG LEU A 15 10.338 26.912 -21.585 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.636 28.956 -22.775 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.623 27.558 -23.209 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.004 28.790 -22.084 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.642 29.121 -20.536 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.049 28.965 -19.758 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.364 27.847 -19.326 1.00 0.00 H new ATOM 233 N LYS A 16 7.609 23.484 -19.713 1.00 0.00 N ATOM 234 CA LYS A 16 6.525 22.591 -19.348 1.00 0.00 C ATOM 235 C LYS A 16 6.830 21.846 -18.047 1.00 0.00 C ATOM 236 O LYS A 16 5.920 21.396 -17.354 1.00 0.00 O ATOM 237 CB LYS A 16 6.229 21.610 -20.492 1.00 0.00 C ATOM 238 CG LYS A 16 5.059 20.677 -20.222 1.00 0.00 C ATOM 239 CD LYS A 16 4.648 19.922 -21.473 1.00 0.00 C ATOM 240 CE LYS A 16 3.498 18.970 -21.190 1.00 0.00 C ATOM 241 NZ LYS A 16 3.008 18.312 -22.423 1.00 0.00 N1+ ATOM 0 H LYS A 16 8.197 23.147 -20.475 1.00 0.00 H new ATOM 0 HA LYS A 16 5.634 23.194 -19.175 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.025 22.178 -21.400 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.120 21.012 -20.683 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.331 19.967 -19.441 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.212 21.253 -19.849 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.354 20.630 -22.248 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.500 19.362 -21.859 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.822 18.211 -20.478 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.680 19.518 -20.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.224 17.671 -22.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.675 19.034 -23.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.781 17.768 -22.857 1.00 0.00 H new ATOM 255 N ASN A 17 8.112 21.749 -17.701 1.00 0.00 N ATOM 256 CA ASN A 17 8.520 21.067 -16.459 1.00 0.00 C ATOM 257 C ASN A 17 7.998 21.800 -15.237 1.00 0.00 C ATOM 258 O ASN A 17 7.818 21.208 -14.175 1.00 0.00 O ATOM 259 CB ASN A 17 10.049 20.939 -16.352 1.00 0.00 C ATOM 260 CG ASN A 17 10.634 19.920 -17.303 1.00 0.00 C ATOM 261 OD1 ASN A 17 9.989 18.929 -17.649 1.00 0.00 O ATOM 262 ND2 ASN A 17 11.862 20.149 -17.727 1.00 0.00 N ATOM 0 H ASN A 17 8.884 22.127 -18.251 1.00 0.00 H new ATOM 0 HA ASN A 17 8.087 20.067 -16.497 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.502 21.911 -16.549 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.313 20.665 -15.330 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.312 19.493 -18.366 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.362 20.982 -17.416 1.00 0.00 H new ATOM 269 N GLU A 18 7.748 23.088 -15.391 1.00 0.00 N ATOM 270 CA GLU A 18 7.279 23.904 -14.286 1.00 0.00 C ATOM 271 C GLU A 18 5.769 24.140 -14.401 1.00 0.00 C ATOM 272 O GLU A 18 5.155 24.783 -13.546 1.00 0.00 O ATOM 273 CB GLU A 18 8.033 25.240 -14.260 1.00 0.00 C ATOM 274 CG GLU A 18 8.006 25.940 -12.916 1.00 0.00 C ATOM 275 CD GLU A 18 8.750 27.254 -12.923 1.00 0.00 C ATOM 276 OE1 GLU A 18 8.278 28.209 -12.270 1.00 0.00 O ATOM 277 OE2 GLU A 18 9.809 27.346 -13.585 1.00 0.00 O1- ATOM 0 H GLU A 18 7.862 23.591 -16.271 1.00 0.00 H new ATOM 0 HA GLU A 18 7.474 23.377 -13.352 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.070 25.065 -14.546 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.603 25.902 -15.011 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.971 26.116 -12.624 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.443 25.285 -12.162 1.00 0.00 H new ATOM 284 N ARG A 19 5.177 23.602 -15.455 1.00 0.00 N ATOM 285 CA ARG A 19 3.755 23.762 -15.700 1.00 0.00 C ATOM 286 C ARG A 19 3.051 22.422 -15.587 1.00 0.00 C ATOM 287 O ARG A 19 2.932 21.684 -16.560 1.00 0.00 O ATOM 288 CB ARG A 19 3.517 24.373 -17.081 1.00 0.00 C ATOM 289 CG ARG A 19 4.261 25.676 -17.300 1.00 0.00 C ATOM 290 CD ARG A 19 4.056 26.208 -18.703 1.00 0.00 C ATOM 291 NE ARG A 19 4.900 27.373 -18.962 1.00 0.00 N ATOM 292 CZ ARG A 19 4.948 28.030 -20.119 1.00 0.00 C ATOM 293 NH1 ARG A 19 4.191 27.644 -21.143 1.00 0.00 N1+ ATOM 294 NH2 ARG A 19 5.761 29.073 -20.249 1.00 0.00 N ATOM 0 H ARG A 19 5.664 23.047 -16.158 1.00 0.00 H new ATOM 0 HA ARG A 19 3.345 24.437 -14.949 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.821 23.657 -17.844 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.449 24.546 -17.214 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.920 26.416 -16.576 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.325 25.522 -17.121 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.282 25.425 -19.427 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.009 26.478 -18.842 1.00 0.00 H new ATOM 0 HE ARG A 19 5.494 27.706 -18.203 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.570 26.841 -21.044 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.232 28.151 -22.027 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.344 29.366 -19.465 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.802 29.580 -21.133 1.00 0.00 H new ATOM 308 N HIS A 20 2.599 22.108 -14.389 1.00 0.00 N ATOM 309 CA HIS A 20 1.942 20.829 -14.117 1.00 0.00 C ATOM 310 C HIS A 20 0.417 20.952 -14.208 1.00 0.00 C ATOM 311 O HIS A 20 -0.314 20.209 -13.552 1.00 0.00 O ATOM 312 CB HIS A 20 2.369 20.289 -12.732 1.00 0.00 C ATOM 313 CG HIS A 20 2.148 21.236 -11.585 1.00 0.00 C ATOM 314 ND1 HIS A 20 2.953 22.335 -11.350 1.00 0.00 N ATOM 315 CD2 HIS A 20 1.219 21.240 -10.600 1.00 0.00 C ATOM 316 CE1 HIS A 20 2.524 22.965 -10.267 1.00 0.00 C ATOM 317 NE2 HIS A 20 1.478 22.323 -9.800 1.00 0.00 N ATOM 0 H HIS A 20 2.672 22.722 -13.577 1.00 0.00 H new ATOM 0 HA HIS A 20 2.259 20.119 -14.880 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.822 19.368 -12.533 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.427 20.029 -12.770 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.422 20.523 -10.469 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.960 23.856 -9.840 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.943 22.588 -8.973 1.00 0.00 H new ATOM 325 N GLU A 21 -0.054 21.875 -15.051 1.00 0.00 N ATOM 326 CA GLU A 21 -1.491 22.109 -15.227 1.00 0.00 C ATOM 327 C GLU A 21 -2.207 20.851 -15.711 1.00 0.00 C ATOM 328 O GLU A 21 -3.270 20.489 -15.196 1.00 0.00 O ATOM 329 CB GLU A 21 -1.731 23.243 -16.226 1.00 0.00 C ATOM 330 CG GLU A 21 -1.143 24.579 -15.812 1.00 0.00 C ATOM 331 CD GLU A 21 -1.462 25.678 -16.801 1.00 0.00 C ATOM 332 OE1 GLU A 21 -0.642 25.923 -17.714 1.00 0.00 O ATOM 333 OE2 GLU A 21 -2.534 26.303 -16.676 1.00 0.00 O1- ATOM 0 H GLU A 21 0.540 22.474 -15.624 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.896 22.387 -14.254 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.309 22.957 -17.190 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.805 23.362 -16.371 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.528 24.854 -14.830 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.062 24.483 -15.715 1.00 0.00 H new ATOM 340 N GLU A 22 -1.611 20.176 -16.682 1.00 0.00 N ATOM 341 CA GLU A 22 -2.214 18.987 -17.269 1.00 0.00 C ATOM 342 C GLU A 22 -2.184 17.813 -16.298 1.00 0.00 C ATOM 343 O GLU A 22 -3.016 16.906 -16.383 1.00 0.00 O ATOM 344 CB GLU A 22 -1.523 18.625 -18.586 1.00 0.00 C ATOM 345 CG GLU A 22 -1.572 19.738 -19.620 1.00 0.00 C ATOM 346 CD GLU A 22 -0.900 19.358 -20.917 1.00 0.00 C ATOM 347 OE1 GLU A 22 -1.482 18.550 -21.678 1.00 0.00 O ATOM 348 OE2 GLU A 22 0.205 19.866 -21.192 1.00 0.00 O1- ATOM 0 H GLU A 22 -0.708 20.431 -17.082 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.259 19.212 -17.481 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.482 18.373 -18.384 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.993 17.733 -19.001 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.612 20.000 -19.817 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.091 20.628 -19.213 1.00 0.00 H new ATOM 355 N ALA A 23 -1.238 17.840 -15.367 1.00 0.00 N ATOM 356 CA ALA A 23 -1.134 16.784 -14.367 1.00 0.00 C ATOM 357 C ALA A 23 -2.180 16.978 -13.273 1.00 0.00 C ATOM 358 O ALA A 23 -2.663 16.010 -12.681 1.00 0.00 O ATOM 359 CB ALA A 23 0.279 16.703 -13.773 1.00 0.00 C ATOM 0 H ALA A 23 -0.537 18.576 -15.283 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.329 15.834 -14.864 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.317 15.905 -13.032 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.996 16.495 -14.567 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.529 17.652 -13.298 1.00 0.00 H new ATOM 365 N GLU A 24 -2.547 18.236 -13.019 1.00 0.00 N ATOM 366 CA GLU A 24 -3.566 18.539 -12.024 1.00 0.00 C ATOM 367 C GLU A 24 -4.936 18.254 -12.589 1.00 0.00 C ATOM 368 O GLU A 24 -5.781 17.643 -11.929 1.00 0.00 O ATOM 369 CB GLU A 24 -3.498 19.997 -11.586 1.00 0.00 C ATOM 370 CG GLU A 24 -2.191 20.391 -10.943 1.00 0.00 C ATOM 371 CD GLU A 24 -2.246 21.778 -10.360 1.00 0.00 C ATOM 372 OE1 GLU A 24 -1.947 22.742 -11.081 1.00 0.00 O ATOM 373 OE2 GLU A 24 -2.599 21.909 -9.170 1.00 0.00 O1- ATOM 0 H GLU A 24 -2.154 19.053 -13.487 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.382 17.907 -11.155 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.669 20.634 -12.454 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.308 20.192 -10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.943 19.677 -10.158 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.393 20.340 -11.683 1.00 0.00 H new ATOM 380 N LEU A 25 -5.147 18.690 -13.824 1.00 0.00 N ATOM 381 CA LEU A 25 -6.418 18.472 -14.506 1.00 0.00 C ATOM 382 C LEU A 25 -6.668 16.979 -14.685 1.00 0.00 C ATOM 383 O LEU A 25 -7.807 16.532 -14.721 1.00 0.00 O ATOM 384 CB LEU A 25 -6.456 19.201 -15.872 1.00 0.00 C ATOM 385 CG LEU A 25 -7.771 19.092 -16.652 1.00 0.00 C ATOM 386 CD1 LEU A 25 -8.915 19.729 -15.876 1.00 0.00 C ATOM 387 CD2 LEU A 25 -7.629 19.736 -18.023 1.00 0.00 C ATOM 0 H LEU A 25 -4.455 19.197 -14.375 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.212 18.890 -13.887 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.241 20.257 -15.705 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.653 18.807 -16.495 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.002 18.035 -16.788 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.838 19.640 -16.449 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.032 19.222 -14.918 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.696 20.783 -15.704 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.571 19.650 -18.565 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.372 20.789 -17.906 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.842 19.231 -18.583 1.00 0.00 H new ATOM 399 N GLU A 26 -5.586 16.209 -14.761 1.00 0.00 N ATOM 400 CA GLU A 26 -5.691 14.764 -14.914 1.00 0.00 C ATOM 401 C GLU A 26 -6.109 14.137 -13.589 1.00 0.00 C ATOM 402 O GLU A 26 -6.885 13.176 -13.555 1.00 0.00 O ATOM 403 CB GLU A 26 -4.358 14.161 -15.380 1.00 0.00 C ATOM 404 CG GLU A 26 -4.478 12.741 -15.896 1.00 0.00 C ATOM 405 CD GLU A 26 -5.355 12.658 -17.125 1.00 0.00 C ATOM 406 OE1 GLU A 26 -4.991 13.266 -18.155 1.00 0.00 O ATOM 407 OE2 GLU A 26 -6.404 11.978 -17.071 1.00 0.00 O1- ATOM 0 H GLU A 26 -4.630 16.562 -14.719 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.444 14.552 -15.673 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.940 14.790 -16.166 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.652 14.178 -14.550 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.486 12.356 -16.132 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.890 12.104 -15.113 1.00 0.00 H new ATOM 414 N ARG A 27 -5.605 14.701 -12.497 1.00 0.00 N ATOM 415 CA ARG A 27 -5.929 14.203 -11.165 1.00 0.00 C ATOM 416 C ARG A 27 -7.391 14.478 -10.852 1.00 0.00 C ATOM 417 O ARG A 27 -8.118 13.593 -10.415 1.00 0.00 O ATOM 418 CB ARG A 27 -5.036 14.845 -10.089 1.00 0.00 C ATOM 419 CG ARG A 27 -5.128 14.155 -8.738 1.00 0.00 C ATOM 420 CD ARG A 27 -4.419 14.948 -7.652 1.00 0.00 C ATOM 421 NE ARG A 27 -5.092 16.222 -7.382 1.00 0.00 N ATOM 422 CZ ARG A 27 -6.078 16.376 -6.491 1.00 0.00 C ATOM 423 NH1 ARG A 27 -6.517 15.332 -5.801 1.00 0.00 N1+ ATOM 424 NH2 ARG A 27 -6.621 17.573 -6.295 1.00 0.00 N ATOM 0 H ARG A 27 -4.972 15.501 -12.507 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.747 13.128 -11.156 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.000 14.826 -10.428 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.315 15.892 -9.974 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.176 14.023 -8.467 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.689 13.160 -8.807 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.379 14.357 -6.737 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.389 15.138 -7.954 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.789 17.043 -7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.103 14.412 -5.950 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.269 15.449 -5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.286 18.378 -6.825 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.373 17.687 -5.615 1.00 0.00 H new ATOM 438 N LEU A 28 -7.820 15.711 -11.107 1.00 0.00 N ATOM 439 CA LEU A 28 -9.205 16.113 -10.871 1.00 0.00 C ATOM 440 C LEU A 28 -10.146 15.384 -11.825 1.00 0.00 C ATOM 441 O LEU A 28 -11.331 15.216 -11.541 1.00 0.00 O ATOM 442 CB LEU A 28 -9.358 17.633 -11.030 1.00 0.00 C ATOM 443 CG LEU A 28 -8.526 18.482 -10.069 1.00 0.00 C ATOM 444 CD1 LEU A 28 -8.620 19.952 -10.439 1.00 0.00 C ATOM 445 CD2 LEU A 28 -8.986 18.265 -8.635 1.00 0.00 C ATOM 0 H LEU A 28 -7.226 16.452 -11.479 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.470 15.841 -9.849 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.089 17.903 -12.051 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.409 17.891 -10.898 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.484 18.172 -10.149 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.022 20.541 -9.744 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.246 20.097 -11.453 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.660 20.275 -10.386 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.384 18.877 -7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.034 18.549 -8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.870 17.214 -8.371 1.00 0.00 H new ATOM 457 N LYS A 29 -9.601 14.949 -12.950 1.00 0.00 N ATOM 458 CA LYS A 29 -10.365 14.216 -13.953 1.00 0.00 C ATOM 459 C LYS A 29 -10.750 12.828 -13.428 1.00 0.00 C ATOM 460 O LYS A 29 -11.837 12.324 -13.722 1.00 0.00 O ATOM 461 CB LYS A 29 -9.571 14.135 -15.282 1.00 0.00 C ATOM 462 CG LYS A 29 -10.168 13.239 -16.346 1.00 0.00 C ATOM 463 CD LYS A 29 -9.397 13.389 -17.649 1.00 0.00 C ATOM 464 CE LYS A 29 -9.629 12.220 -18.581 1.00 0.00 C ATOM 465 NZ LYS A 29 -9.030 10.972 -18.054 1.00 0.00 N1+ ATOM 0 H LYS A 29 -8.621 15.092 -13.195 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.291 14.753 -14.157 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.477 15.141 -15.690 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.563 13.785 -15.061 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.140 12.201 -16.016 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.216 13.496 -16.503 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.697 14.313 -18.144 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.332 13.475 -17.433 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.700 12.077 -18.726 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.202 12.444 -19.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.903 10.293 -18.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.106 11.184 -17.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.659 10.562 -17.335 1.00 0.00 H new ATOM 479 N SER A 30 -9.870 12.222 -12.636 1.00 0.00 N ATOM 480 CA SER A 30 -10.166 10.927 -12.046 1.00 0.00 C ATOM 481 C SER A 30 -10.834 11.106 -10.685 1.00 0.00 C ATOM 482 O SER A 30 -11.705 10.326 -10.305 1.00 0.00 O ATOM 483 CB SER A 30 -8.900 10.051 -11.923 1.00 0.00 C ATOM 484 OG SER A 30 -9.210 8.781 -11.362 1.00 0.00 O ATOM 0 H SER A 30 -8.956 12.604 -12.392 1.00 0.00 H new ATOM 0 HA SER A 30 -10.856 10.408 -12.711 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.449 9.918 -12.906 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.163 10.557 -11.300 1.00 0.00 H new ATOM 0 HG SER A 30 -8.393 8.244 -11.296 1.00 0.00 H new ATOM 490 N GLU A 31 -10.443 12.154 -9.971 1.00 0.00 N ATOM 491 CA GLU A 31 -10.968 12.410 -8.645 1.00 0.00 C ATOM 492 C GLU A 31 -12.150 13.397 -8.709 1.00 0.00 C ATOM 493 O GLU A 31 -12.044 14.535 -8.244 1.00 0.00 O ATOM 494 CB GLU A 31 -9.862 12.966 -7.729 1.00 0.00 C ATOM 495 CG GLU A 31 -10.233 12.980 -6.255 1.00 0.00 C ATOM 496 CD GLU A 31 -9.132 13.540 -5.386 1.00 0.00 C ATOM 497 OE1 GLU A 31 -9.216 14.725 -4.999 1.00 0.00 O ATOM 498 OE2 GLU A 31 -8.170 12.799 -5.085 1.00 0.00 O1- ATOM 0 H GLU A 31 -9.761 12.840 -10.294 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.326 11.467 -8.231 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.960 12.369 -7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.620 13.982 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.137 13.573 -6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.465 11.965 -5.933 1.00 0.00 H new ATOM 505 N ARG A 32 -13.263 12.979 -9.334 1.00 0.00 N ATOM 506 CA ARG A 32 -14.457 13.811 -9.402 1.00 0.00 C ATOM 507 C ARG A 32 -15.097 13.925 -8.014 1.00 0.00 C ATOM 508 O ARG A 32 -15.794 14.897 -7.721 1.00 0.00 O ATOM 509 CB ARG A 32 -15.447 13.230 -10.444 1.00 0.00 C ATOM 510 CG ARG A 32 -16.788 13.958 -10.545 1.00 0.00 C ATOM 511 CD ARG A 32 -17.800 13.397 -9.557 1.00 0.00 C ATOM 512 NE ARG A 32 -19.063 14.131 -9.565 1.00 0.00 N ATOM 513 CZ ARG A 32 -19.975 14.050 -8.594 1.00 0.00 C ATOM 514 NH1 ARG A 32 -19.739 13.307 -7.517 1.00 0.00 N1+ ATOM 515 NH2 ARG A 32 -21.115 14.722 -8.691 1.00 0.00 N ATOM 0 H ARG A 32 -13.353 12.073 -9.795 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.184 14.816 -9.725 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.969 13.245 -11.423 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.637 12.185 -10.198 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -16.642 15.021 -10.354 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.178 13.867 -11.559 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -17.991 12.350 -9.794 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.375 13.424 -8.554 1.00 0.00 H new ATOM 0 HE ARG A 32 -19.259 14.741 -10.359 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -18.860 12.797 -7.432 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.437 13.247 -6.776 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -21.297 15.303 -9.510 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -21.810 14.658 -7.947 1.00 0.00 H new ATOM 529 N HIS A 33 -14.821 12.919 -7.171 1.00 0.00 N ATOM 530 CA HIS A 33 -15.312 12.832 -5.779 1.00 0.00 C ATOM 531 C HIS A 33 -16.736 12.259 -5.708 1.00 0.00 C ATOM 532 O HIS A 33 -17.390 12.060 -6.740 1.00 0.00 O ATOM 533 CB HIS A 33 -15.257 14.184 -5.037 1.00 0.00 C ATOM 534 CG HIS A 33 -13.880 14.705 -4.797 1.00 0.00 C ATOM 535 ND1 HIS A 33 -13.352 15.776 -5.484 1.00 0.00 N ATOM 536 CD2 HIS A 33 -12.922 14.310 -3.931 1.00 0.00 C ATOM 537 CE1 HIS A 33 -12.130 16.010 -5.052 1.00 0.00 C ATOM 538 NE2 HIS A 33 -11.845 15.137 -4.111 1.00 0.00 N ATOM 0 H HIS A 33 -14.239 12.125 -7.439 1.00 0.00 H new ATOM 0 HA HIS A 33 -14.631 12.147 -5.274 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.815 14.922 -5.612 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -15.764 14.078 -4.078 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.992 13.494 -3.227 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.473 16.788 -5.410 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -10.965 15.084 -3.598 1.00 0.00 H new ATOM 546 N ASP A 34 -17.216 12.019 -4.480 1.00 0.00 N ATOM 547 CA ASP A 34 -18.539 11.468 -4.229 1.00 0.00 C ATOM 548 C ASP A 34 -18.723 11.384 -2.728 1.00 0.00 C ATOM 549 O ASP A 34 -17.740 11.382 -1.991 1.00 0.00 O ATOM 550 CB ASP A 34 -18.693 10.065 -4.852 1.00 0.00 C ATOM 551 CG ASP A 34 -20.148 9.664 -5.064 1.00 0.00 C ATOM 552 OD1 ASP A 34 -20.572 9.548 -6.235 1.00 0.00 O ATOM 553 OD2 ASP A 34 -20.885 9.471 -4.068 1.00 0.00 O1- ATOM 0 H ASP A 34 -16.685 12.207 -3.630 1.00 0.00 H new ATOM 0 HA ASP A 34 -19.293 12.110 -4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -18.172 10.039 -5.809 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.210 9.332 -4.206 1.00 0.00 H new ATOM 558 N HIS A 35 -19.970 11.318 -2.277 1.00 0.00 N ATOM 559 CA HIS A 35 -20.303 11.262 -0.843 1.00 0.00 C ATOM 560 C HIS A 35 -20.053 12.613 -0.151 1.00 0.00 C ATOM 561 O HIS A 35 -20.975 13.199 0.403 1.00 0.00 O ATOM 562 CB HIS A 35 -19.537 10.128 -0.128 1.00 0.00 C ATOM 563 CG HIS A 35 -19.917 9.946 1.310 1.00 0.00 C ATOM 564 ND1 HIS A 35 -19.185 10.467 2.356 1.00 0.00 N ATOM 565 CD2 HIS A 35 -20.955 9.288 1.874 1.00 0.00 C ATOM 566 CE1 HIS A 35 -19.758 10.135 3.499 1.00 0.00 C ATOM 567 NE2 HIS A 35 -20.833 9.421 3.232 1.00 0.00 N ATOM 0 H HIS A 35 -20.786 11.301 -2.889 1.00 0.00 H new ATOM 0 HA HIS A 35 -21.368 11.043 -0.770 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.713 9.193 -0.660 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -18.468 10.332 -0.187 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -21.736 8.756 1.351 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -19.406 10.403 4.484 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -21.471 9.030 3.925 1.00 0.00 H new ATOM 575 N ASP A 36 -18.812 13.105 -0.215 1.00 0.00 N ATOM 576 CA ASP A 36 -18.436 14.381 0.419 1.00 0.00 C ATOM 577 C ASP A 36 -19.328 15.515 -0.075 1.00 0.00 C ATOM 578 O ASP A 36 -19.748 16.377 0.701 1.00 0.00 O ATOM 579 CB ASP A 36 -16.950 14.714 0.151 1.00 0.00 C ATOM 580 CG ASP A 36 -16.637 14.933 -1.323 1.00 0.00 C ATOM 581 OD1 ASP A 36 -16.564 16.105 -1.753 1.00 0.00 O ATOM 582 OD2 ASP A 36 -16.473 13.936 -2.053 1.00 0.00 O1- ATOM 0 H ASP A 36 -18.045 12.640 -0.701 1.00 0.00 H new ATOM 0 HA ASP A 36 -18.576 14.273 1.495 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -16.679 15.610 0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -16.329 13.902 0.530 1.00 0.00 H new ATOM 587 N LYS A 37 -19.617 15.498 -1.361 1.00 0.00 N ATOM 588 CA LYS A 37 -20.485 16.482 -1.978 1.00 0.00 C ATOM 589 C LYS A 37 -21.945 16.225 -1.603 1.00 0.00 C ATOM 590 O LYS A 37 -22.660 17.131 -1.210 1.00 0.00 O ATOM 591 CB LYS A 37 -20.307 16.431 -3.504 1.00 0.00 C ATOM 592 CG LYS A 37 -21.351 17.204 -4.303 1.00 0.00 C ATOM 593 CD LYS A 37 -21.105 17.046 -5.796 1.00 0.00 C ATOM 594 CE LYS A 37 -22.291 17.510 -6.633 1.00 0.00 C ATOM 595 NZ LYS A 37 -22.558 18.961 -6.495 1.00 0.00 N1+ ATOM 0 H LYS A 37 -19.255 14.799 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 37 -20.214 17.474 -1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -19.320 16.821 -3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -20.327 15.389 -3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -22.349 16.844 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -21.316 18.259 -4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.220 17.616 -6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.894 16.000 -6.018 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -22.103 17.278 -7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -23.179 16.952 -6.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -23.546 19.106 -6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -21.922 19.364 -5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -22.393 19.433 -7.407 1.00 0.00 H new ATOM 609 N LYS A 38 -22.351 14.969 -1.693 1.00 0.00 N ATOM 610 CA LYS A 38 -23.742 14.573 -1.451 1.00 0.00 C ATOM 611 C LYS A 38 -24.208 14.877 -0.026 1.00 0.00 C ATOM 612 O LYS A 38 -25.237 15.521 0.165 1.00 0.00 O ATOM 613 CB LYS A 38 -23.937 13.088 -1.759 1.00 0.00 C ATOM 614 CG LYS A 38 -23.732 12.736 -3.223 1.00 0.00 C ATOM 615 CD LYS A 38 -23.751 11.236 -3.436 1.00 0.00 C ATOM 616 CE LYS A 38 -23.655 10.884 -4.907 1.00 0.00 C ATOM 617 NZ LYS A 38 -23.440 9.430 -5.113 1.00 0.00 N1+ ATOM 0 H LYS A 38 -21.734 14.193 -1.934 1.00 0.00 H new ATOM 0 HA LYS A 38 -24.357 15.171 -2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -23.242 12.506 -1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -24.943 12.793 -1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -24.514 13.201 -3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -22.781 13.142 -3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -22.921 10.780 -2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -24.668 10.820 -3.020 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -24.569 11.192 -5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -22.835 11.441 -5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -23.464 9.216 -6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -22.515 9.157 -4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -24.190 8.896 -4.629 1.00 0.00 H new ATOM 631 N GLU A 39 -23.445 14.428 0.967 1.00 0.00 N ATOM 632 CA GLU A 39 -23.838 14.602 2.367 1.00 0.00 C ATOM 633 C GLU A 39 -23.938 16.088 2.744 1.00 0.00 C ATOM 634 O GLU A 39 -24.803 16.480 3.533 1.00 0.00 O ATOM 635 CB GLU A 39 -22.861 13.877 3.313 1.00 0.00 C ATOM 636 CG GLU A 39 -22.543 12.439 2.920 1.00 0.00 C ATOM 637 CD GLU A 39 -23.774 11.574 2.752 1.00 0.00 C ATOM 638 OE1 GLU A 39 -24.455 11.297 3.756 1.00 0.00 O ATOM 639 OE2 GLU A 39 -24.055 11.145 1.614 1.00 0.00 O1- ATOM 0 H GLU A 39 -22.557 13.944 0.833 1.00 0.00 H new ATOM 0 HA GLU A 39 -24.826 14.156 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -21.930 14.442 3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -23.281 13.880 4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -21.980 12.442 1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -21.899 11.997 3.680 1.00 0.00 H new ATOM 646 N ALA A 40 -23.083 16.917 2.149 1.00 0.00 N ATOM 647 CA ALA A 40 -23.070 18.341 2.472 1.00 0.00 C ATOM 648 C ALA A 40 -24.078 19.110 1.627 1.00 0.00 C ATOM 649 O ALA A 40 -24.610 20.137 2.057 1.00 0.00 O ATOM 650 CB ALA A 40 -21.667 18.931 2.325 1.00 0.00 C ATOM 0 H ALA A 40 -22.398 16.632 1.449 1.00 0.00 H new ATOM 0 HA ALA A 40 -23.366 18.442 3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -21.691 19.992 2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -20.983 18.416 3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -21.325 18.806 1.298 1.00 0.00 H new ATOM 656 N GLU A 41 -24.357 18.604 0.438 1.00 0.00 N ATOM 657 CA GLU A 41 -25.322 19.240 -0.452 1.00 0.00 C ATOM 658 C GLU A 41 -26.726 18.946 0.050 1.00 0.00 C ATOM 659 O GLU A 41 -27.634 19.769 -0.064 1.00 0.00 O ATOM 660 CB GLU A 41 -25.136 18.743 -1.896 1.00 0.00 C ATOM 661 CG GLU A 41 -25.894 19.539 -2.940 1.00 0.00 C ATOM 662 CD GLU A 41 -25.525 19.123 -4.345 1.00 0.00 C ATOM 663 OE1 GLU A 41 -26.225 18.262 -4.919 1.00 0.00 O ATOM 664 OE2 GLU A 41 -24.524 19.647 -4.883 1.00 0.00 O1- ATOM 0 H GLU A 41 -23.931 17.756 0.064 1.00 0.00 H new ATOM 0 HA GLU A 41 -25.162 20.318 -0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -24.074 18.767 -2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -25.453 17.702 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -26.965 19.405 -2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -25.685 20.601 -2.809 1.00 0.00 H new ATOM 671 N ARG A 42 -26.881 17.768 0.643 1.00 0.00 N ATOM 672 CA ARG A 42 -28.154 17.356 1.232 1.00 0.00 C ATOM 673 C ARG A 42 -28.500 18.285 2.391 1.00 0.00 C ATOM 674 O ARG A 42 -29.670 18.582 2.644 1.00 0.00 O ATOM 675 CB ARG A 42 -28.074 15.902 1.723 1.00 0.00 C ATOM 676 CG ARG A 42 -29.414 15.282 2.086 1.00 0.00 C ATOM 677 CD ARG A 42 -29.234 13.842 2.544 1.00 0.00 C ATOM 678 NE ARG A 42 -28.447 13.062 1.584 1.00 0.00 N ATOM 679 CZ ARG A 42 -27.315 12.412 1.880 1.00 0.00 C ATOM 680 NH1 ARG A 42 -26.860 12.389 3.128 1.00 0.00 N1+ ATOM 681 NH2 ARG A 42 -26.645 11.777 0.927 1.00 0.00 N ATOM 0 H ARG A 42 -26.137 17.076 0.730 1.00 0.00 H new ATOM 0 HA ARG A 42 -28.934 17.418 0.473 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -27.606 15.296 0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -27.422 15.862 2.595 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -29.887 15.864 2.877 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -30.081 15.314 1.224 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -28.740 13.828 3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -30.211 13.377 2.676 1.00 0.00 H new ATOM 0 HE ARG A 42 -28.786 13.011 0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -27.374 12.868 3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -25.997 11.892 3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -26.992 11.784 -0.032 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -25.782 11.282 1.153 1.00 0.00 H new ATOM 695 N LYS A 43 -27.462 18.751 3.083 1.00 0.00 N ATOM 696 CA LYS A 43 -27.636 19.682 4.191 1.00 0.00 C ATOM 697 C LYS A 43 -28.101 21.045 3.683 1.00 0.00 C ATOM 698 O LYS A 43 -28.952 21.678 4.298 1.00 0.00 O ATOM 699 CB LYS A 43 -26.337 19.831 5.017 1.00 0.00 C ATOM 700 CG LYS A 43 -25.949 18.587 5.800 1.00 0.00 C ATOM 701 CD LYS A 43 -26.931 18.313 6.926 1.00 0.00 C ATOM 702 CE LYS A 43 -26.497 17.125 7.768 1.00 0.00 C ATOM 703 NZ LYS A 43 -26.468 15.869 6.984 1.00 0.00 N1+ ATOM 0 H LYS A 43 -26.492 18.498 2.894 1.00 0.00 H new ATOM 0 HA LYS A 43 -28.404 19.271 4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -25.520 20.092 4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -26.455 20.662 5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -25.914 17.729 5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -24.947 18.711 6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -27.016 19.197 7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -27.920 18.123 6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -25.507 17.317 8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -27.178 17.010 8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -26.300 15.065 7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -27.379 15.741 6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -25.705 15.917 6.279 1.00 0.00 H new ATOM 717 N ALA A 44 -27.579 21.470 2.526 1.00 0.00 N ATOM 718 CA ALA A 44 -27.929 22.772 1.968 1.00 0.00 C ATOM 719 C ALA A 44 -29.384 22.794 1.526 1.00 0.00 C ATOM 720 O ALA A 44 -30.041 23.842 1.555 1.00 0.00 O ATOM 721 CB ALA A 44 -26.994 23.141 0.815 1.00 0.00 C ATOM 0 H ALA A 44 -26.918 20.932 1.965 1.00 0.00 H new ATOM 0 HA ALA A 44 -27.804 23.523 2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -27.275 24.116 0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -25.967 23.180 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -27.073 22.390 0.028 1.00 0.00 H new ATOM 727 N LEU A 45 -29.895 21.629 1.146 1.00 0.00 N ATOM 728 CA LEU A 45 -31.279 21.500 0.728 1.00 0.00 C ATOM 729 C LEU A 45 -32.179 21.409 1.952 1.00 0.00 C ATOM 730 O LEU A 45 -33.385 21.655 1.878 1.00 0.00 O ATOM 731 CB LEU A 45 -31.461 20.252 -0.145 1.00 0.00 C ATOM 732 CG LEU A 45 -30.605 20.186 -1.414 1.00 0.00 C ATOM 733 CD1 LEU A 45 -30.805 18.856 -2.124 1.00 0.00 C ATOM 734 CD2 LEU A 45 -30.939 21.340 -2.349 1.00 0.00 C ATOM 0 H LEU A 45 -29.365 20.758 1.120 1.00 0.00 H new ATOM 0 HA LEU A 45 -31.552 22.378 0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -31.242 19.374 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -32.510 20.186 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 45 -29.558 20.270 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -30.189 18.827 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -30.516 18.042 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -31.854 18.744 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -30.320 21.274 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -31.991 21.287 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -30.746 22.286 -1.843 1.00 0.00 H new ATOM 746 N GLU A 46 -31.578 21.074 3.084 1.00 0.00 N ATOM 747 CA GLU A 46 -32.318 20.916 4.322 1.00 0.00 C ATOM 748 C GLU A 46 -32.480 22.259 5.034 1.00 0.00 C ATOM 749 O GLU A 46 -33.496 22.503 5.694 1.00 0.00 O ATOM 750 CB GLU A 46 -31.638 19.884 5.241 1.00 0.00 C ATOM 751 CG GLU A 46 -32.511 19.428 6.385 1.00 0.00 C ATOM 752 CD GLU A 46 -33.803 18.815 5.905 1.00 0.00 C ATOM 753 OE1 GLU A 46 -33.752 17.768 5.226 1.00 0.00 O ATOM 754 OE2 GLU A 46 -34.878 19.373 6.200 1.00 0.00 O1- ATOM 0 H GLU A 46 -30.575 20.906 3.168 1.00 0.00 H new ATOM 0 HA GLU A 46 -33.312 20.543 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -31.348 19.017 4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -30.722 20.316 5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -31.967 18.700 6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -32.732 20.277 7.032 1.00 0.00 H new ATOM 761 N ASP A 47 -31.490 23.142 4.881 1.00 0.00 N ATOM 762 CA ASP A 47 -31.558 24.475 5.495 1.00 0.00 C ATOM 763 C ASP A 47 -32.678 25.285 4.869 1.00 0.00 C ATOM 764 O ASP A 47 -33.251 26.171 5.502 1.00 0.00 O ATOM 765 CB ASP A 47 -30.222 25.238 5.369 1.00 0.00 C ATOM 766 CG ASP A 47 -29.139 24.698 6.283 1.00 0.00 C ATOM 767 OD1 ASP A 47 -29.109 25.083 7.465 1.00 0.00 O ATOM 768 OD2 ASP A 47 -28.306 23.895 5.823 1.00 0.00 O1- ATOM 0 H ASP A 47 -30.641 22.964 4.345 1.00 0.00 H new ATOM 0 HA ASP A 47 -31.760 24.334 6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -29.877 25.186 4.336 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -30.389 26.291 5.596 1.00 0.00 H new ATOM 773 N LYS A 48 -33.006 24.953 3.627 1.00 0.00 N ATOM 774 CA LYS A 48 -34.059 25.643 2.897 1.00 0.00 C ATOM 775 C LYS A 48 -35.414 25.385 3.532 1.00 0.00 C ATOM 776 O LYS A 48 -36.288 26.248 3.525 1.00 0.00 O ATOM 777 CB LYS A 48 -34.070 25.203 1.433 1.00 0.00 C ATOM 778 CG LYS A 48 -32.761 25.465 0.714 1.00 0.00 C ATOM 779 CD LYS A 48 -32.433 26.947 0.696 1.00 0.00 C ATOM 780 CE LYS A 48 -31.060 27.206 0.114 1.00 0.00 C ATOM 781 NZ LYS A 48 -29.982 26.620 0.954 1.00 0.00 N1+ ATOM 0 H LYS A 48 -32.554 24.205 3.102 1.00 0.00 H new ATOM 0 HA LYS A 48 -33.857 26.713 2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -34.296 24.138 1.383 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -34.873 25.724 0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -31.957 24.918 1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -32.823 25.091 -0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -33.183 27.479 0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -32.480 27.343 1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -31.006 26.786 -0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -30.903 28.280 0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -29.056 26.932 0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -30.099 26.935 1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -30.036 25.582 0.914 1.00 0.00 H new ATOM 795 N LEU A 49 -35.574 24.203 4.103 1.00 0.00 N ATOM 796 CA LEU A 49 -36.828 23.839 4.753 1.00 0.00 C ATOM 797 C LEU A 49 -37.014 24.656 6.026 1.00 0.00 C ATOM 798 O LEU A 49 -38.109 25.137 6.316 1.00 0.00 O ATOM 799 CB LEU A 49 -36.876 22.334 5.072 1.00 0.00 C ATOM 800 CG LEU A 49 -38.175 21.831 5.710 1.00 0.00 C ATOM 801 CD1 LEU A 49 -39.355 22.057 4.781 1.00 0.00 C ATOM 802 CD2 LEU A 49 -38.059 20.363 6.069 1.00 0.00 C ATOM 0 H LEU A 49 -34.856 23.479 4.131 1.00 0.00 H new ATOM 0 HA LEU A 49 -37.643 24.061 4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -36.708 21.780 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -36.049 22.097 5.741 1.00 0.00 H new ATOM 0 HG LEU A 49 -38.345 22.399 6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -40.266 21.692 5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -39.456 23.122 4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -39.191 21.519 3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -38.991 20.024 6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -37.860 19.783 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -37.242 20.225 6.777 1.00 0.00 H new ATOM 814 N ALA A 50 -35.925 24.836 6.763 1.00 0.00 N ATOM 815 CA ALA A 50 -35.965 25.605 8.007 1.00 0.00 C ATOM 816 C ALA A 50 -36.158 27.090 7.721 1.00 0.00 C ATOM 817 O ALA A 50 -36.703 27.826 8.549 1.00 0.00 O ATOM 818 CB ALA A 50 -34.708 25.370 8.848 1.00 0.00 C ATOM 0 H ALA A 50 -35.006 24.463 6.525 1.00 0.00 H new ATOM 0 HA ALA A 50 -36.820 25.256 8.586 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -34.769 25.956 9.765 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -34.630 24.312 9.098 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -33.829 25.675 8.281 1.00 0.00 H new ATOM 824 N ASP A 51 -35.728 27.524 6.541 1.00 0.00 N ATOM 825 CA ASP A 51 -35.883 28.923 6.142 1.00 0.00 C ATOM 826 C ASP A 51 -37.329 29.206 5.774 1.00 0.00 C ATOM 827 O ASP A 51 -37.919 30.193 6.230 1.00 0.00 O ATOM 828 CB ASP A 51 -34.964 29.280 4.963 1.00 0.00 C ATOM 829 CG ASP A 51 -35.153 30.713 4.501 1.00 0.00 C ATOM 830 OD1 ASP A 51 -35.939 30.940 3.562 1.00 0.00 O ATOM 831 OD2 ASP A 51 -34.512 31.619 5.075 1.00 0.00 O1- ATOM 0 H ASP A 51 -35.272 26.933 5.846 1.00 0.00 H new ATOM 0 HA ASP A 51 -35.597 29.543 6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -33.925 29.129 5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -35.163 28.603 4.132 1.00 0.00 H new ATOM 836 N LYS A 52 -37.905 28.328 4.962 1.00 0.00 N ATOM 837 CA LYS A 52 -39.291 28.474 4.538 1.00 0.00 C ATOM 838 C LYS A 52 -40.243 28.259 5.706 1.00 0.00 C ATOM 839 O LYS A 52 -41.391 28.699 5.674 1.00 0.00 O ATOM 840 CB LYS A 52 -39.607 27.515 3.390 1.00 0.00 C ATOM 841 CG LYS A 52 -38.801 27.803 2.135 1.00 0.00 C ATOM 842 CD LYS A 52 -39.142 26.845 1.007 1.00 0.00 C ATOM 843 CE LYS A 52 -38.320 27.159 -0.233 1.00 0.00 C ATOM 844 NZ LYS A 52 -38.642 26.257 -1.363 1.00 0.00 N1+ ATOM 0 H LYS A 52 -37.433 27.507 4.584 1.00 0.00 H new ATOM 0 HA LYS A 52 -39.431 29.493 4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -39.411 26.493 3.714 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -40.669 27.577 3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -38.989 28.826 1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -37.737 27.731 2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -38.953 25.820 1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -40.204 26.915 0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -38.498 28.192 -0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -37.260 27.075 0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -38.058 26.509 -2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -38.447 25.273 -1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -39.648 26.355 -1.610 1.00 0.00 H new ATOM 858 N GLN A 53 -39.751 27.581 6.736 1.00 0.00 N ATOM 859 CA GLN A 53 -40.513 27.362 7.951 1.00 0.00 C ATOM 860 C GLN A 53 -40.811 28.703 8.615 1.00 0.00 C ATOM 861 O GLN A 53 -41.926 28.949 9.076 1.00 0.00 O ATOM 862 CB GLN A 53 -39.724 26.472 8.910 1.00 0.00 C ATOM 863 CG GLN A 53 -40.497 26.052 10.144 1.00 0.00 C ATOM 864 CD GLN A 53 -39.627 25.333 11.151 1.00 0.00 C ATOM 865 OE1 GLN A 53 -38.645 24.685 10.789 1.00 0.00 O ATOM 866 NE2 GLN A 53 -39.979 25.437 12.413 1.00 0.00 N ATOM 0 H GLN A 53 -38.817 27.171 6.749 1.00 0.00 H new ATOM 0 HA GLN A 53 -41.451 26.866 7.701 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -39.400 25.579 8.376 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -38.823 27.001 9.221 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -40.937 26.933 10.611 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -41.321 25.402 9.850 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -40.800 25.984 12.670 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -39.431 24.970 13.136 1.00 0.00 H new ATOM 875 N GLU A 54 -39.803 29.569 8.649 1.00 0.00 N ATOM 876 CA GLU A 54 -39.959 30.903 9.207 1.00 0.00 C ATOM 877 C GLU A 54 -40.827 31.741 8.284 1.00 0.00 C ATOM 878 O GLU A 54 -41.700 32.484 8.736 1.00 0.00 O ATOM 879 CB GLU A 54 -38.596 31.574 9.386 1.00 0.00 C ATOM 880 CG GLU A 54 -37.635 30.803 10.275 1.00 0.00 C ATOM 881 CD GLU A 54 -38.183 30.569 11.665 1.00 0.00 C ATOM 882 OE1 GLU A 54 -38.494 29.408 11.995 1.00 0.00 O ATOM 883 OE2 GLU A 54 -38.305 31.546 12.430 1.00 0.00 O1- ATOM 0 H GLU A 54 -38.868 29.368 8.295 1.00 0.00 H new ATOM 0 HA GLU A 54 -40.436 30.821 10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -38.138 31.709 8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -38.745 32.568 9.807 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -37.410 29.842 9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -36.695 31.350 10.347 1.00 0.00 H new ATOM 890 N HIS A 55 -40.556 31.618 6.976 1.00 0.00 N ATOM 891 CA HIS A 55 -41.314 32.300 5.906 1.00 0.00 C ATOM 892 C HIS A 55 -41.053 33.817 5.854 1.00 0.00 C ATOM 893 O HIS A 55 -40.927 34.394 4.771 1.00 0.00 O ATOM 894 CB HIS A 55 -42.822 32.017 6.028 1.00 0.00 C ATOM 895 CG HIS A 55 -43.643 32.610 4.921 1.00 0.00 C ATOM 896 ND1 HIS A 55 -44.394 33.756 5.072 1.00 0.00 N ATOM 897 CD2 HIS A 55 -43.830 32.209 3.643 1.00 0.00 C ATOM 898 CE1 HIS A 55 -45.007 34.030 3.934 1.00 0.00 C ATOM 899 NE2 HIS A 55 -44.682 33.108 3.053 1.00 0.00 N ATOM 0 H HIS A 55 -39.796 31.036 6.623 1.00 0.00 H new ATOM 0 HA HIS A 55 -40.951 31.885 4.966 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -42.979 30.939 6.046 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -43.179 32.407 6.981 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -43.390 31.342 3.174 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -45.664 34.869 3.757 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -45.010 33.068 2.088 1.00 0.00 H new ATOM 907 N LEU A 56 -40.964 34.445 7.011 1.00 0.00 N ATOM 908 CA LEU A 56 -40.767 35.888 7.090 1.00 0.00 C ATOM 909 C LEU A 56 -39.349 36.290 6.663 1.00 0.00 C ATOM 910 O LEU A 56 -39.060 37.476 6.475 1.00 0.00 O ATOM 911 CB LEU A 56 -41.060 36.382 8.510 1.00 0.00 C ATOM 912 CG LEU A 56 -41.125 37.901 8.690 1.00 0.00 C ATOM 913 CD1 LEU A 56 -42.282 38.488 7.899 1.00 0.00 C ATOM 914 CD2 LEU A 56 -41.251 38.253 10.156 1.00 0.00 C ATOM 0 H LEU A 56 -41.025 33.979 7.916 1.00 0.00 H new ATOM 0 HA LEU A 56 -41.464 36.360 6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -42.010 35.956 8.833 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -40.292 35.989 9.176 1.00 0.00 H new ATOM 0 HG LEU A 56 -40.199 38.332 8.308 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -42.309 39.568 8.042 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -42.149 38.265 6.840 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -43.219 38.052 8.247 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -41.296 39.336 10.267 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -42.161 37.809 10.560 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -40.387 37.868 10.698 1.00 0.00 H new ATOM 926 N ASN A 57 -38.473 35.306 6.502 1.00 0.00 N ATOM 927 CA ASN A 57 -37.104 35.579 6.084 1.00 0.00 C ATOM 928 C ASN A 57 -37.086 36.149 4.680 1.00 0.00 C ATOM 929 O ASN A 57 -37.604 35.538 3.737 1.00 0.00 O ATOM 930 CB ASN A 57 -36.223 34.325 6.141 1.00 0.00 C ATOM 931 CG ASN A 57 -36.060 33.765 7.538 1.00 0.00 C ATOM 932 OD1 ASN A 57 -36.226 34.471 8.533 1.00 0.00 O ATOM 933 ND2 ASN A 57 -35.694 32.500 7.619 1.00 0.00 N ATOM 0 H ASN A 57 -38.684 34.319 6.653 1.00 0.00 H new ATOM 0 HA ASN A 57 -36.694 36.308 6.783 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -36.655 33.558 5.499 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -35.239 34.563 5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -35.538 32.072 8.531 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -35.568 31.950 6.769 1.00 0.00 H new ATOM 940 N GLY A 58 -36.518 37.325 4.549 1.00 0.00 N ATOM 941 CA GLY A 58 -36.434 37.972 3.257 1.00 0.00 C ATOM 942 C GLY A 58 -37.460 39.071 3.107 1.00 0.00 C ATOM 943 O GLY A 58 -37.382 39.877 2.177 1.00 0.00 O ATOM 0 H GLY A 58 -36.107 37.854 5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -35.435 38.388 3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -36.578 37.231 2.470 1.00 0.00 H new ATOM 947 N ALA A 59 -38.412 39.123 4.031 1.00 0.00 N ATOM 948 CA ALA A 59 -39.480 40.108 3.966 1.00 0.00 C ATOM 949 C ALA A 59 -39.164 41.345 4.797 1.00 0.00 C ATOM 950 O ALA A 59 -39.724 42.412 4.563 1.00 0.00 O ATOM 951 CB ALA A 59 -40.795 39.491 4.413 1.00 0.00 C ATOM 0 H ALA A 59 -38.465 38.494 4.833 1.00 0.00 H new ATOM 0 HA ALA A 59 -39.570 40.427 2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -41.585 40.240 4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -41.044 38.653 3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -40.700 39.137 5.439 1.00 0.00 H new ATOM 957 N LEU A 60 -38.270 41.206 5.763 1.00 0.00 N ATOM 958 CA LEU A 60 -37.904 42.326 6.618 1.00 0.00 C ATOM 959 C LEU A 60 -36.914 43.247 5.912 1.00 0.00 C ATOM 960 O LEU A 60 -35.720 42.951 5.831 1.00 0.00 O ATOM 961 CB LEU A 60 -37.323 41.836 7.948 1.00 0.00 C ATOM 962 CG LEU A 60 -38.246 40.951 8.792 1.00 0.00 C ATOM 963 CD1 LEU A 60 -37.550 40.526 10.074 1.00 0.00 C ATOM 964 CD2 LEU A 60 -39.548 41.676 9.106 1.00 0.00 C ATOM 0 H LEU A 60 -37.786 40.334 5.975 1.00 0.00 H new ATOM 0 HA LEU A 60 -38.811 42.893 6.830 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -36.408 41.281 7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -37.041 42.705 8.542 1.00 0.00 H new ATOM 0 HG LEU A 60 -38.483 40.057 8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -38.220 39.898 10.661 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -36.648 39.965 9.830 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -37.281 41.410 10.652 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -40.189 41.030 9.706 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -39.331 42.589 9.661 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -40.057 41.929 8.176 1.00 0.00 H new ATOM 976 N ARG A 61 -37.420 44.350 5.387 1.00 0.00 N ATOM 977 CA ARG A 61 -36.589 45.314 4.677 1.00 0.00 C ATOM 978 C ARG A 61 -36.260 46.507 5.568 1.00 0.00 C ATOM 979 O ARG A 61 -35.299 47.235 5.315 1.00 0.00 O ATOM 980 CB ARG A 61 -37.298 45.791 3.408 1.00 0.00 C ATOM 981 CG ARG A 61 -37.612 44.678 2.419 1.00 0.00 C ATOM 982 CD ARG A 61 -38.447 45.190 1.257 1.00 0.00 C ATOM 983 NE ARG A 61 -39.740 45.714 1.702 1.00 0.00 N ATOM 984 CZ ARG A 61 -40.634 46.302 0.906 1.00 0.00 C ATOM 985 NH1 ARG A 61 -40.391 46.440 -0.392 1.00 0.00 N1+ ATOM 986 NH2 ARG A 61 -41.773 46.751 1.413 1.00 0.00 N ATOM 0 H ARG A 61 -38.407 44.603 5.438 1.00 0.00 H new ATOM 0 HA ARG A 61 -35.657 44.821 4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -38.227 46.287 3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -36.675 46.537 2.914 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -36.683 44.251 2.041 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -38.147 43.876 2.928 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -37.899 45.973 0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -38.609 44.383 0.543 1.00 0.00 H new ATOM 0 HE ARG A 61 -39.973 45.623 2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -39.516 46.095 -0.786 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -41.079 46.891 -0.995 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -41.964 46.646 2.409 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -42.459 47.201 0.807 1.00 0.00 H new ATOM 1000 N TYR A 62 -37.078 46.701 6.610 1.00 0.00 N ATOM 1001 CA TYR A 62 -36.905 47.815 7.577 1.00 0.00 C ATOM 1002 C TYR A 62 -37.030 49.178 6.867 1.00 0.00 C ATOM 1003 O TYR A 62 -36.518 50.194 7.332 1.00 0.00 O ATOM 1004 CB TYR A 62 -35.540 47.690 8.293 1.00 0.00 C ATOM 1005 CG TYR A 62 -35.407 48.551 9.537 1.00 0.00 C ATOM 1006 CD1 TYR A 62 -36.115 48.245 10.691 1.00 0.00 C ATOM 1007 CD2 TYR A 62 -34.573 49.663 9.555 1.00 0.00 C ATOM 1008 CE1 TYR A 62 -35.998 49.021 11.826 1.00 0.00 C ATOM 1009 CE2 TYR A 62 -34.451 50.444 10.687 1.00 0.00 C ATOM 1010 CZ TYR A 62 -35.166 50.118 11.819 1.00 0.00 C ATOM 1011 OH TYR A 62 -35.048 50.895 12.950 1.00 0.00 O ATOM 0 H TYR A 62 -37.876 46.100 6.814 1.00 0.00 H new ATOM 0 HA TYR A 62 -37.695 47.754 8.325 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -35.381 46.647 8.568 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -34.749 47.959 7.593 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -36.768 47.385 10.701 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -34.011 49.920 8.669 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -36.556 48.769 12.715 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -33.799 51.305 10.685 1.00 0.00 H new ATOM 0 HH TYR A 62 -34.421 51.629 12.779 1.00 0.00 H new ATOM 1021 N ILE A 63 -37.739 49.190 5.752 1.00 0.00 N ATOM 1022 CA ILE A 63 -37.917 50.405 4.978 1.00 0.00 C ATOM 1023 C ILE A 63 -39.256 51.079 5.336 1.00 0.00 C ATOM 1024 O ILE A 63 -40.206 50.404 5.744 1.00 0.00 O ATOM 1025 CB ILE A 63 -37.862 50.103 3.450 1.00 0.00 C ATOM 1026 CG1 ILE A 63 -37.919 51.401 2.629 1.00 0.00 C ATOM 1027 CG2 ILE A 63 -38.989 49.156 3.046 1.00 0.00 C ATOM 1028 CD1 ILE A 63 -37.842 51.188 1.131 1.00 0.00 C ATOM 0 H ILE A 63 -38.202 48.369 5.362 1.00 0.00 H new ATOM 0 HA ILE A 63 -37.102 51.085 5.224 1.00 0.00 H new ATOM 0 HB ILE A 63 -36.912 49.613 3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -38.845 51.926 2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -37.098 52.049 2.936 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -38.932 48.958 1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -38.891 48.219 3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -39.950 49.614 3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -37.889 52.152 0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -36.904 50.692 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -38.678 50.567 0.808 1.00 0.00 H new ATOM 1040 N ASN A 64 -39.319 52.401 5.200 1.00 0.00 N ATOM 1041 CA ASN A 64 -40.542 53.144 5.485 1.00 0.00 C ATOM 1042 C ASN A 64 -41.338 53.312 4.170 1.00 0.00 C ATOM 1043 O ASN A 64 -40.816 52.998 3.099 1.00 0.00 O ATOM 1044 CB ASN A 64 -40.183 54.524 6.091 1.00 0.00 C ATOM 1045 CG ASN A 64 -41.393 55.357 6.506 1.00 0.00 C ATOM 1046 OD1 ASN A 64 -41.925 56.138 5.722 1.00 0.00 O ATOM 1047 ND2 ASN A 64 -41.825 55.203 7.736 1.00 0.00 N ATOM 0 H ASN A 64 -38.537 52.979 4.894 1.00 0.00 H new ATOM 0 HA ASN A 64 -41.154 52.603 6.207 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -39.545 54.372 6.961 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -39.600 55.088 5.363 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -42.626 55.741 8.066 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -41.360 54.545 8.361 1.00 0.00 H new ATOM 1054 N GLU A 65 -42.585 53.795 4.234 1.00 0.00 N ATOM 1055 CA GLU A 65 -43.364 53.994 3.015 1.00 0.00 C ATOM 1056 C GLU A 65 -42.842 55.215 2.275 1.00 0.00 C ATOM 1057 O GLU A 65 -42.865 55.269 1.045 1.00 0.00 O ATOM 1058 CB GLU A 65 -44.861 54.142 3.329 1.00 0.00 C ATOM 1059 CG GLU A 65 -45.740 54.221 2.095 1.00 0.00 C ATOM 1060 CD GLU A 65 -47.199 54.032 2.419 1.00 0.00 C ATOM 1061 OE1 GLU A 65 -47.638 52.870 2.523 1.00 0.00 O ATOM 1062 OE2 GLU A 65 -47.922 55.040 2.562 1.00 0.00 O1- ATOM 0 H GLU A 65 -43.064 54.049 5.098 1.00 0.00 H new ATOM 0 HA GLU A 65 -43.252 53.116 2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -45.180 53.296 3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -45.010 55.040 3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -45.600 55.189 1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -45.427 53.460 1.380 1.00 0.00 H new ATOM 1069 N LYS A 66 -42.359 56.186 3.054 1.00 0.00 N ATOM 1070 CA LYS A 66 -41.755 57.414 2.542 1.00 0.00 C ATOM 1071 C LYS A 66 -42.800 58.275 1.780 1.00 0.00 C ATOM 1072 O LYS A 66 -43.965 57.881 1.662 1.00 0.00 O ATOM 1073 CB LYS A 66 -40.554 57.067 1.639 1.00 0.00 C ATOM 1074 CG LYS A 66 -39.559 58.193 1.444 1.00 0.00 C ATOM 1075 CD LYS A 66 -38.401 57.752 0.577 1.00 0.00 C ATOM 1076 CE LYS A 66 -37.332 58.824 0.493 1.00 0.00 C ATOM 1077 NZ LYS A 66 -36.710 59.096 1.815 1.00 0.00 N1+ ATOM 0 H LYS A 66 -42.378 56.138 4.073 1.00 0.00 H new ATOM 0 HA LYS A 66 -41.399 58.007 3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -40.033 56.210 2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -40.928 56.759 0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -40.057 59.047 0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -39.186 58.525 2.413 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -37.969 56.837 0.982 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -38.763 57.518 -0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -36.562 58.513 -0.213 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -37.770 59.743 0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -35.813 59.604 1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -37.354 59.678 2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -36.528 58.197 2.304 1.00 0.00 H new ATOM 1091 N GLU A 67 -42.379 59.465 1.287 1.00 0.00 N ATOM 1092 CA GLU A 67 -43.253 60.357 0.530 1.00 0.00 C ATOM 1093 C GLU A 67 -44.520 60.708 1.316 1.00 0.00 C ATOM 1094 O GLU A 67 -45.606 60.832 0.745 1.00 0.00 O ATOM 1095 CB GLU A 67 -43.615 59.733 -0.819 1.00 0.00 C ATOM 1096 CG GLU A 67 -42.420 59.540 -1.738 1.00 0.00 C ATOM 1097 CD GLU A 67 -42.821 59.141 -3.137 1.00 0.00 C ATOM 1098 OE1 GLU A 67 -42.658 57.956 -3.492 1.00 0.00 O ATOM 1099 OE2 GLU A 67 -43.302 60.016 -3.897 1.00 0.00 O1- ATOM 0 H GLU A 67 -41.430 59.820 1.408 1.00 0.00 H new ATOM 0 HA GLU A 67 -42.707 61.284 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -44.091 58.768 -0.648 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -44.349 60.366 -1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -41.845 60.465 -1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -41.765 58.776 -1.320 1.00 0.00 H new ATOM 1106 N ALA A 68 -44.378 60.883 2.628 1.00 0.00 N ATOM 1107 CA ALA A 68 -45.518 61.230 3.469 1.00 0.00 C ATOM 1108 C ALA A 68 -45.931 62.676 3.237 1.00 0.00 C ATOM 1109 O ALA A 68 -47.041 63.072 3.587 1.00 0.00 O ATOM 1110 CB ALA A 68 -45.217 60.985 4.949 1.00 0.00 C ATOM 0 H ALA A 68 -43.493 60.791 3.127 1.00 0.00 H new ATOM 0 HA ALA A 68 -46.348 60.581 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -46.088 61.254 5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -44.982 59.932 5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -44.366 61.594 5.253 1.00 0.00 H new ATOM 1116 N GLU A 69 -45.012 63.460 2.646 1.00 0.00 N ATOM 1117 CA GLU A 69 -45.261 64.883 2.317 1.00 0.00 C ATOM 1118 C GLU A 69 -45.552 65.692 3.580 1.00 0.00 C ATOM 1119 O GLU A 69 -46.177 66.750 3.533 1.00 0.00 O ATOM 1120 CB GLU A 69 -46.415 65.000 1.315 1.00 0.00 C ATOM 1121 CG GLU A 69 -46.155 64.260 0.011 1.00 0.00 C ATOM 1122 CD GLU A 69 -47.276 64.419 -0.983 1.00 0.00 C ATOM 1123 OE1 GLU A 69 -48.342 63.805 -0.783 1.00 0.00 O ATOM 1124 OE2 GLU A 69 -47.095 65.159 -1.975 1.00 0.00 O1- ATOM 0 H GLU A 69 -44.082 63.133 2.383 1.00 0.00 H new ATOM 0 HA GLU A 69 -44.362 65.294 1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -47.325 64.610 1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -46.594 66.053 1.098 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -45.229 64.626 -0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -46.010 63.201 0.222 1.00 0.00 H new ATOM 1131 N ARG A 70 -45.038 65.201 4.696 1.00 0.00 N ATOM 1132 CA ARG A 70 -45.244 65.814 6.001 1.00 0.00 C ATOM 1133 C ARG A 70 -44.394 67.076 6.179 1.00 0.00 C ATOM 1134 O ARG A 70 -44.491 67.759 7.199 1.00 0.00 O ATOM 1135 CB ARG A 70 -44.926 64.794 7.103 1.00 0.00 C ATOM 1136 CG ARG A 70 -43.561 64.136 6.945 1.00 0.00 C ATOM 1137 CD ARG A 70 -43.367 62.979 7.914 1.00 0.00 C ATOM 1138 NE ARG A 70 -42.150 62.219 7.611 1.00 0.00 N ATOM 1139 CZ ARG A 70 -41.871 61.000 8.091 1.00 0.00 C ATOM 1140 NH1 ARG A 70 -42.705 60.405 8.940 1.00 0.00 N1+ ATOM 1141 NH2 ARG A 70 -40.754 60.381 7.721 1.00 0.00 N ATOM 0 H ARG A 70 -44.462 64.360 4.723 1.00 0.00 H new ATOM 0 HA ARG A 70 -46.289 66.117 6.073 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -44.971 65.292 8.072 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -45.695 64.022 7.105 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -43.450 63.775 5.923 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -42.780 64.879 7.107 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -43.313 63.362 8.933 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -44.231 62.316 7.868 1.00 0.00 H new ATOM 0 HE ARG A 70 -41.466 62.650 6.989 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -43.562 60.877 9.228 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -42.487 59.477 9.302 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -40.111 60.834 7.072 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -40.540 59.453 8.086 1.00 0.00 H new ATOM 1155 N LYS A 71 -43.576 67.397 5.178 1.00 0.00 N ATOM 1156 CA LYS A 71 -42.709 68.572 5.252 1.00 0.00 C ATOM 1157 C LYS A 71 -43.515 69.872 5.180 1.00 0.00 C ATOM 1158 O LYS A 71 -43.013 70.936 5.546 1.00 0.00 O ATOM 1159 CB LYS A 71 -41.654 68.568 4.135 1.00 0.00 C ATOM 1160 CG LYS A 71 -42.214 68.845 2.747 1.00 0.00 C ATOM 1161 CD LYS A 71 -41.119 69.266 1.784 1.00 0.00 C ATOM 1162 CE LYS A 71 -41.695 69.727 0.455 1.00 0.00 C ATOM 1163 NZ LYS A 71 -40.652 70.297 -0.434 1.00 0.00 N1+ ATOM 0 H LYS A 71 -43.495 66.864 4.312 1.00 0.00 H new ATOM 0 HA LYS A 71 -42.203 68.522 6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -40.895 69.316 4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -41.154 67.599 4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -42.711 67.952 2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -42.969 69.629 2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -40.533 70.071 2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -40.439 68.431 1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -42.176 68.885 -0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -42.467 70.475 0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -41.086 70.599 -1.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -40.210 71.116 0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -39.928 69.576 -0.627 1.00 0.00 H new ATOM 1177 N GLU A 72 -44.767 69.784 4.719 1.00 0.00 N ATOM 1178 CA GLU A 72 -45.621 70.970 4.579 1.00 0.00 C ATOM 1179 C GLU A 72 -45.995 71.563 5.940 1.00 0.00 C ATOM 1180 O GLU A 72 -46.533 72.668 6.021 1.00 0.00 O ATOM 1181 CB GLU A 72 -46.879 70.656 3.757 1.00 0.00 C ATOM 1182 CG GLU A 72 -47.713 69.505 4.294 1.00 0.00 C ATOM 1183 CD GLU A 72 -48.930 69.227 3.436 1.00 0.00 C ATOM 1184 OE1 GLU A 72 -48.761 68.763 2.292 1.00 0.00 O ATOM 1185 OE2 GLU A 72 -50.067 69.467 3.908 1.00 0.00 O1- ATOM 0 H GLU A 72 -45.210 68.910 4.438 1.00 0.00 H new ATOM 0 HA GLU A 72 -45.042 71.720 4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -47.502 71.550 3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -46.581 70.426 2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -47.097 68.607 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -48.033 69.734 5.311 1.00 0.00 H new ATOM 1192 N LYS A 73 -45.702 70.828 7.003 1.00 0.00 N ATOM 1193 CA LYS A 73 -45.947 71.310 8.355 1.00 0.00 C ATOM 1194 C LYS A 73 -44.851 72.292 8.760 1.00 0.00 C ATOM 1195 O LYS A 73 -45.002 73.044 9.717 1.00 0.00 O ATOM 1196 CB LYS A 73 -45.988 70.143 9.344 1.00 0.00 C ATOM 1197 CG LYS A 73 -47.048 69.103 9.029 1.00 0.00 C ATOM 1198 CD LYS A 73 -46.974 67.932 9.996 1.00 0.00 C ATOM 1199 CE LYS A 73 -48.042 66.893 9.696 1.00 0.00 C ATOM 1200 NZ LYS A 73 -49.412 67.443 9.840 1.00 0.00 N1+ ATOM 0 H LYS A 73 -45.294 69.894 6.955 1.00 0.00 H new ATOM 0 HA LYS A 73 -46.912 71.816 8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -45.012 69.659 9.359 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -46.165 70.535 10.346 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -48.036 69.560 9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -46.917 68.744 8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -45.989 67.470 9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -47.094 68.294 11.017 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -47.907 66.518 8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -47.920 66.044 10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -50.099 66.662 9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -49.477 67.986 10.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -49.622 68.067 9.035 1.00 0.00 H new ATOM 1214 N GLU A 74 -43.745 72.264 8.000 1.00 0.00 N ATOM 1215 CA GLU A 74 -42.569 73.115 8.225 1.00 0.00 C ATOM 1216 C GLU A 74 -41.866 72.791 9.554 1.00 0.00 C ATOM 1217 O GLU A 74 -40.739 72.293 9.557 1.00 0.00 O ATOM 1218 CB GLU A 74 -42.919 74.615 8.107 1.00 0.00 C ATOM 1219 CG GLU A 74 -41.752 75.545 8.390 1.00 0.00 C ATOM 1220 CD GLU A 74 -42.102 77.000 8.186 1.00 0.00 C ATOM 1221 OE1 GLU A 74 -42.566 77.649 9.146 1.00 0.00 O ATOM 1222 OE2 GLU A 74 -41.896 77.511 7.071 1.00 0.00 O1- ATOM 0 H GLU A 74 -43.642 71.640 7.200 1.00 0.00 H new ATOM 0 HA GLU A 74 -41.856 72.889 7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -43.293 74.813 7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -43.729 74.844 8.799 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -41.416 75.397 9.416 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -40.917 75.282 7.740 1.00 0.00 H new ATOM 1229 N ALA A 75 -42.527 73.060 10.662 1.00 0.00 N ATOM 1230 CA ALA A 75 -41.972 72.787 11.968 1.00 0.00 C ATOM 1231 C ALA A 75 -42.941 71.936 12.770 1.00 0.00 C ATOM 1232 O ALA A 75 -42.551 70.937 13.385 1.00 0.00 O ATOM 1233 CB ALA A 75 -41.670 74.088 12.696 1.00 0.00 C ATOM 0 H ALA A 75 -43.460 73.472 10.680 1.00 0.00 H new ATOM 0 HA ALA A 75 -41.038 72.238 11.851 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -41.253 73.867 13.678 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -40.951 74.670 12.119 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -42.590 74.661 12.813 1.00 0.00 H new ATOM 1239 N GLU A 76 -44.205 72.329 12.748 1.00 0.00 N ATOM 1240 CA GLU A 76 -45.254 71.601 13.446 1.00 0.00 C ATOM 1241 C GLU A 76 -46.627 71.972 12.880 1.00 0.00 C ATOM 1242 O GLU A 76 -47.554 71.162 12.889 1.00 0.00 O ATOM 1243 CB GLU A 76 -45.203 71.887 14.958 1.00 0.00 C ATOM 1244 CG GLU A 76 -46.198 71.075 15.772 1.00 0.00 C ATOM 1245 CD GLU A 76 -46.186 71.438 17.235 1.00 0.00 C ATOM 1246 OE1 GLU A 76 -45.329 70.913 17.975 1.00 0.00 O ATOM 1247 OE2 GLU A 76 -47.038 72.241 17.657 1.00 0.00 O1- ATOM 0 H GLU A 76 -44.532 73.156 12.249 1.00 0.00 H new ATOM 0 HA GLU A 76 -45.090 70.534 13.294 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -44.197 71.682 15.323 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -45.392 72.948 15.124 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -47.200 71.229 15.372 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -45.971 70.015 15.663 1.00 0.00 H new ATOM 1254 N GLN A 77 -46.738 73.185 12.373 1.00 0.00 N ATOM 1255 CA GLN A 77 -47.984 73.682 11.829 1.00 0.00 C ATOM 1256 C GLN A 77 -47.733 74.356 10.489 1.00 0.00 C ATOM 1257 O GLN A 77 -48.202 73.838 9.462 1.00 0.00 O ATOM 1258 CB GLN A 77 -48.629 74.670 12.806 1.00 0.00 C ATOM 1259 CG GLN A 77 -49.953 75.240 12.326 1.00 0.00 C ATOM 1260 CD GLN A 77 -50.522 76.266 13.282 1.00 0.00 C ATOM 1261 OE1 GLN A 77 -50.236 77.459 13.175 1.00 0.00 O ATOM 1262 NE2 GLN A 77 -51.323 75.816 14.223 1.00 0.00 N ATOM 1263 OXT GLN A 77 -47.042 75.398 10.467 1.00 0.00 O ATOM 0 H GLN A 77 -45.967 73.852 12.327 1.00 0.00 H new ATOM 0 HA GLN A 77 -48.665 72.844 11.680 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -48.786 74.170 13.762 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -47.936 75.492 12.986 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -49.814 75.698 11.347 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -50.670 74.429 12.200 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -51.536 74.820 14.278 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -51.732 76.463 14.897 1.00 0.00 H new TER 1272 GLN A 77