USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 396 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 5 LYS NZ :NH3+ -166:sc= -0.0678 (180deg=-0.404) 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 ----------------------------------------------------------------- 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 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 20.341 18.655 -40.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.082 17.868 -39.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.873 18.864 -40.154 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