USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 GLN : amide:sc= -0.0771 X(o=-0.077,f=-0.56) USER MOD Set 1.2: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 2 SER OG : rot 3:sc= 1.34 USER MOD Set 2.2: A 5 LYS NZ :NH3+ 142:sc= 0.954 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 144:sc= 0.0102 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0428 USER MOD Single : A 17 ASN : amide:sc= -0.973 X(o=-0.97,f=-0.58) USER MOD Single : A 20 HIS : no HE2:sc= 0.00467 K(o=0.0047,f=-4.4!) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= -0.074 (180deg=-0.408) USER MOD Single : A 30 SER OG : rot 75:sc= 0.146 USER MOD Single : A 33 HIS : no HD1:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 35 HIS : no HD1:sc= 0.299 K(o=0.3,f=-1.1) USER MOD Single : A 37 LYS NZ :NH3+ -159:sc= 1.26 (180deg=1.09) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= -0.0254 (180deg=-0.296) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc=-0.00877 (180deg=-0.152) USER MOD Single : A 52 TYR OH : rot -145:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.792 -23.047 14.193 1.00 0.00 N ATOM 2 CA GLY A 1 -1.457 -21.718 14.729 1.00 0.00 C ATOM 3 C GLY A 1 -1.071 -20.752 13.639 1.00 0.00 C ATOM 4 O GLY A 1 -0.396 -21.124 12.677 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.466 -23.780 14.855 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.822 -23.123 14.072 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.325 -23.178 13.273 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.311 -21.323 15.278 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.636 -21.810 15.440 1.00 0.00 H new ATOM 10 N SER A 2 -1.514 -19.518 13.773 1.00 0.00 N ATOM 11 CA SER A 2 -1.220 -18.471 12.811 1.00 0.00 C ATOM 12 C SER A 2 -1.342 -17.123 13.466 1.00 0.00 C ATOM 13 O SER A 2 -2.437 -16.706 13.849 1.00 0.00 O ATOM 14 CB SER A 2 -2.156 -18.566 11.600 1.00 0.00 C ATOM 15 OG SER A 2 -1.948 -19.777 10.888 1.00 0.00 O ATOM 0 H SER A 2 -2.091 -19.210 14.556 1.00 0.00 H new ATOM 0 HA SER A 2 -0.197 -18.601 12.458 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.193 -18.509 11.932 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.986 -17.717 10.938 1.00 0.00 H new ATOM 0 HG SER A 2 -1.276 -20.318 11.353 1.00 0.00 H new ATOM 21 N VAL A 3 -0.225 -16.448 13.616 1.00 0.00 N ATOM 22 CA VAL A 3 -0.216 -15.158 14.236 1.00 0.00 C ATOM 23 C VAL A 3 -0.203 -14.027 13.167 1.00 0.00 C ATOM 24 O VAL A 3 0.736 -13.943 12.363 1.00 0.00 O ATOM 25 CB VAL A 3 1.005 -14.988 15.184 1.00 0.00 C ATOM 26 CG1 VAL A 3 0.837 -15.852 16.422 1.00 0.00 C ATOM 27 CG2 VAL A 3 2.306 -15.334 14.474 1.00 0.00 C ATOM 0 H VAL A 3 0.690 -16.780 13.312 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.128 -15.082 14.828 1.00 0.00 H new ATOM 0 HB VAL A 3 1.052 -13.942 15.486 1.00 0.00 H new ATOM 0 HG11 VAL A 3 1.699 -15.722 17.076 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.068 -15.556 16.952 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.759 -16.899 16.127 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.141 -15.206 15.162 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.271 -16.369 14.135 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.438 -14.675 13.616 1.00 0.00 H new ATOM 37 N GLU A 4 -1.251 -13.172 13.158 1.00 0.00 N ATOM 38 CA GLU A 4 -1.347 -12.037 12.241 1.00 0.00 C ATOM 39 C GLU A 4 -1.061 -12.448 10.778 1.00 0.00 C ATOM 40 O GLU A 4 -0.262 -11.812 10.099 1.00 0.00 O ATOM 41 CB GLU A 4 -0.356 -10.944 12.670 1.00 0.00 C ATOM 42 CG GLU A 4 -0.549 -10.467 14.102 1.00 0.00 C ATOM 43 CD GLU A 4 -1.943 -9.938 14.365 1.00 0.00 C ATOM 44 OE1 GLU A 4 -2.825 -10.736 14.759 1.00 0.00 O ATOM 45 OE2 GLU A 4 -2.164 -8.720 14.197 1.00 0.00 O ATOM 0 H GLU A 4 -2.048 -13.258 13.789 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.369 -11.660 12.286 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.660 -11.323 12.557 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.455 -10.092 11.997 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.344 -11.292 14.785 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.178 -9.685 14.320 1.00 0.00 H new ATOM 52 N LYS A 5 -1.748 -13.481 10.277 1.00 0.00 N ATOM 53 CA LYS A 5 -1.474 -13.989 8.926 1.00 0.00 C ATOM 54 C LYS A 5 -2.196 -13.141 7.855 1.00 0.00 C ATOM 55 O LYS A 5 -2.155 -13.439 6.663 1.00 0.00 O ATOM 56 CB LYS A 5 -1.860 -15.480 8.822 1.00 0.00 C ATOM 57 CG LYS A 5 -1.533 -16.125 7.473 1.00 0.00 C ATOM 58 CD LYS A 5 -1.739 -17.630 7.498 1.00 0.00 C ATOM 59 CE LYS A 5 -0.616 -18.336 8.244 1.00 0.00 C ATOM 60 NZ LYS A 5 -0.813 -19.805 8.286 1.00 0.00 N ATOM 0 H LYS A 5 -2.487 -13.976 10.777 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.404 -13.905 8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.346 -16.032 9.609 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.929 -15.580 9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.162 -15.686 6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.499 -15.905 7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.693 -17.860 7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.792 -18.008 6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.336 -18.112 7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.558 -17.949 9.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.105 -20.282 8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.238 -20.072 9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.444 -20.093 7.511 1.00 0.00 H new ATOM 74 N LEU A 6 -2.801 -12.063 8.287 1.00 0.00 N ATOM 75 CA LEU A 6 -3.500 -11.169 7.387 1.00 0.00 C ATOM 76 C LEU A 6 -2.549 -10.063 6.966 1.00 0.00 C ATOM 77 O LEU A 6 -2.494 -9.674 5.798 1.00 0.00 O ATOM 78 CB LEU A 6 -4.750 -10.577 8.060 1.00 0.00 C ATOM 79 CG LEU A 6 -5.612 -9.666 7.183 1.00 0.00 C ATOM 80 CD1 LEU A 6 -6.158 -10.429 5.983 1.00 0.00 C ATOM 81 CD2 LEU A 6 -6.746 -9.068 8.000 1.00 0.00 C ATOM 0 H LEU A 6 -2.825 -11.778 9.266 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.832 -11.725 6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.371 -11.399 8.417 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.434 -10.012 8.937 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.987 -8.854 6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.768 -9.761 5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.329 -10.809 5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.768 -11.263 6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.351 -8.422 7.364 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.368 -9.869 8.400 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.333 -8.484 8.822 1.00 0.00 H new ATOM 93 N THR A 7 -1.793 -9.565 7.932 1.00 0.00 N ATOM 94 CA THR A 7 -0.821 -8.565 7.707 1.00 0.00 C ATOM 95 C THR A 7 0.298 -8.755 8.748 1.00 0.00 C ATOM 96 O THR A 7 0.138 -8.371 9.908 1.00 0.00 O ATOM 97 CB THR A 7 -1.436 -7.157 7.893 1.00 0.00 C ATOM 98 OG1 THR A 7 -2.589 -7.021 7.047 1.00 0.00 O ATOM 99 CG2 THR A 7 -0.422 -6.077 7.540 1.00 0.00 C ATOM 0 H THR A 7 -1.857 -9.866 8.905 1.00 0.00 H new ATOM 0 HA THR A 7 -0.439 -8.649 6.690 1.00 0.00 H new ATOM 0 HB THR A 7 -1.725 -7.039 8.937 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.979 -6.130 7.166 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.874 -5.095 7.677 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.449 -6.170 8.189 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.114 -6.193 6.501 1.00 0.00 H new ATOM 107 N ALA A 8 1.390 -9.371 8.354 1.00 0.00 N ATOM 108 CA ALA A 8 2.554 -9.485 9.224 1.00 0.00 C ATOM 109 C ALA A 8 3.803 -9.048 8.490 1.00 0.00 C ATOM 110 O ALA A 8 4.715 -8.473 9.081 1.00 0.00 O ATOM 111 CB ALA A 8 2.714 -10.912 9.731 1.00 0.00 C ATOM 0 H ALA A 8 1.503 -9.803 7.437 1.00 0.00 H new ATOM 0 HA ALA A 8 2.403 -8.831 10.083 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.589 -10.972 10.378 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.826 -11.200 10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.842 -11.587 8.884 1.00 0.00 H new ATOM 117 N ASP A 9 3.810 -9.281 7.182 1.00 0.00 N ATOM 118 CA ASP A 9 4.950 -8.942 6.331 1.00 0.00 C ATOM 119 C ASP A 9 5.240 -7.450 6.401 1.00 0.00 C ATOM 120 O ASP A 9 6.392 -7.025 6.380 1.00 0.00 O ATOM 121 CB ASP A 9 4.691 -9.369 4.879 1.00 0.00 C ATOM 122 CG ASP A 9 3.529 -8.639 4.243 1.00 0.00 C ATOM 123 OD1 ASP A 9 2.394 -8.750 4.759 1.00 0.00 O ATOM 124 OD2 ASP A 9 3.736 -7.960 3.217 1.00 0.00 O ATOM 0 H ASP A 9 3.031 -9.708 6.682 1.00 0.00 H new ATOM 0 HA ASP A 9 5.822 -9.484 6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.590 -9.192 4.289 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.497 -10.441 4.851 1.00 0.00 H new ATOM 129 N ALA A 10 4.184 -6.662 6.492 1.00 0.00 N ATOM 130 CA ALA A 10 4.304 -5.202 6.601 1.00 0.00 C ATOM 131 C ALA A 10 5.104 -4.801 7.833 1.00 0.00 C ATOM 132 O ALA A 10 5.902 -3.868 7.789 1.00 0.00 O ATOM 133 CB ALA A 10 2.929 -4.534 6.623 1.00 0.00 C ATOM 0 H ALA A 10 3.223 -7.003 6.493 1.00 0.00 H new ATOM 0 HA ALA A 10 4.841 -4.856 5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.051 -3.454 6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.395 -4.771 5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.360 -4.900 7.478 1.00 0.00 H new ATOM 139 N GLU A 11 4.917 -5.533 8.921 1.00 0.00 N ATOM 140 CA GLU A 11 5.622 -5.237 10.164 1.00 0.00 C ATOM 141 C GLU A 11 7.065 -5.694 10.060 1.00 0.00 C ATOM 142 O GLU A 11 7.934 -5.242 10.808 1.00 0.00 O ATOM 143 CB GLU A 11 4.944 -5.906 11.364 1.00 0.00 C ATOM 144 CG GLU A 11 3.509 -5.462 11.600 1.00 0.00 C ATOM 145 CD GLU A 11 2.946 -6.000 12.892 1.00 0.00 C ATOM 146 OE1 GLU A 11 2.314 -5.221 13.640 1.00 0.00 O ATOM 147 OE2 GLU A 11 3.148 -7.201 13.181 1.00 0.00 O ATOM 0 H GLU A 11 4.286 -6.333 8.971 1.00 0.00 H new ATOM 0 HA GLU A 11 5.593 -4.159 10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.958 -6.986 11.219 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.529 -5.697 12.260 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.466 -4.373 11.614 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.887 -5.795 10.769 1.00 0.00 H new ATOM 154 N LEU A 12 7.316 -6.577 9.114 1.00 0.00 N ATOM 155 CA LEU A 12 8.652 -7.102 8.894 1.00 0.00 C ATOM 156 C LEU A 12 9.426 -6.096 8.068 1.00 0.00 C ATOM 157 O LEU A 12 10.628 -5.893 8.258 1.00 0.00 O ATOM 158 CB LEU A 12 8.605 -8.456 8.157 1.00 0.00 C ATOM 159 CG LEU A 12 7.569 -9.480 8.657 1.00 0.00 C ATOM 160 CD1 LEU A 12 7.767 -10.821 7.987 1.00 0.00 C ATOM 161 CD2 LEU A 12 7.608 -9.615 10.165 1.00 0.00 C ATOM 0 H LEU A 12 6.608 -6.949 8.481 1.00 0.00 H new ATOM 0 HA LEU A 12 9.137 -7.265 9.856 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.411 -8.263 7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.593 -8.913 8.221 1.00 0.00 H new ATOM 0 HG LEU A 12 6.581 -9.109 8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.023 -11.526 8.357 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.655 -10.709 6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.766 -11.196 8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.865 -10.345 10.484 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.599 -9.947 10.475 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.389 -8.650 10.622 1.00 0.00 H new ATOM 173 N GLN A 13 8.708 -5.456 7.152 1.00 0.00 N ATOM 174 CA GLN A 13 9.274 -4.417 6.301 1.00 0.00 C ATOM 175 C GLN A 13 9.664 -3.219 7.156 1.00 0.00 C ATOM 176 O GLN A 13 10.711 -2.606 6.950 1.00 0.00 O ATOM 177 CB GLN A 13 8.261 -3.980 5.228 1.00 0.00 C ATOM 178 CG GLN A 13 8.839 -3.061 4.166 1.00 0.00 C ATOM 179 CD GLN A 13 9.835 -3.769 3.278 1.00 0.00 C ATOM 180 OE1 GLN A 13 11.036 -3.777 3.549 1.00 0.00 O ATOM 181 NE2 GLN A 13 9.346 -4.367 2.214 1.00 0.00 N ATOM 0 H GLN A 13 7.720 -5.642 6.979 1.00 0.00 H new ATOM 0 HA GLN A 13 10.156 -4.816 5.801 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.856 -4.868 4.743 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.427 -3.475 5.715 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.030 -2.661 3.555 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.324 -2.212 4.648 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.344 -4.336 2.027 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.969 -4.862 1.576 1.00 0.00 H new ATOM 190 N ARG A 14 8.820 -2.914 8.142 1.00 0.00 N ATOM 191 CA ARG A 14 9.070 -1.802 9.053 1.00 0.00 C ATOM 192 C ARG A 14 10.329 -2.063 9.863 1.00 0.00 C ATOM 193 O ARG A 14 11.112 -1.152 10.123 1.00 0.00 O ATOM 194 CB ARG A 14 7.876 -1.584 9.987 1.00 0.00 C ATOM 195 CG ARG A 14 6.588 -1.238 9.260 1.00 0.00 C ATOM 196 CD ARG A 14 5.439 -1.012 10.230 1.00 0.00 C ATOM 197 NE ARG A 14 5.666 0.149 11.092 1.00 0.00 N ATOM 198 CZ ARG A 14 4.909 0.462 12.148 1.00 0.00 C ATOM 199 NH1 ARG A 14 3.856 -0.290 12.460 1.00 0.00 N ATOM 200 NH2 ARG A 14 5.199 1.535 12.877 1.00 0.00 N ATOM 0 H ARG A 14 7.956 -3.424 8.329 1.00 0.00 H new ATOM 0 HA ARG A 14 9.210 -0.898 8.461 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.718 -2.486 10.578 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.115 -0.783 10.687 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.739 -0.341 8.659 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.331 -2.043 8.572 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.515 -0.872 9.670 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.306 -1.901 10.847 1.00 0.00 H new ATOM 0 HE ARG A 14 6.453 0.759 10.872 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.626 -1.106 11.893 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.279 -0.050 13.266 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.998 2.118 12.630 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.622 1.775 13.683 1.00 0.00 H new ATOM 214 N LEU A 15 10.521 -3.323 10.248 1.00 0.00 N ATOM 215 CA LEU A 15 11.714 -3.732 10.975 1.00 0.00 C ATOM 216 C LEU A 15 12.954 -3.422 10.143 1.00 0.00 C ATOM 217 O LEU A 15 13.946 -2.894 10.653 1.00 0.00 O ATOM 218 CB LEU A 15 11.648 -5.230 11.306 1.00 0.00 C ATOM 219 CG LEU A 15 12.843 -5.807 12.072 1.00 0.00 C ATOM 220 CD1 LEU A 15 13.017 -5.109 13.411 1.00 0.00 C ATOM 221 CD2 LEU A 15 12.669 -7.302 12.274 1.00 0.00 C ATOM 0 H LEU A 15 9.861 -4.079 10.066 1.00 0.00 H new ATOM 0 HA LEU A 15 11.770 -3.177 11.912 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.746 -5.412 11.890 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.540 -5.783 10.373 1.00 0.00 H new ATOM 0 HG LEU A 15 13.742 -5.636 11.480 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.872 -5.536 13.936 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.187 -4.045 13.247 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.118 -5.245 14.012 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.526 -7.698 12.820 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.759 -7.489 12.843 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.598 -7.794 11.304 1.00 0.00 H new ATOM 233 N LYS A 16 12.875 -3.732 8.854 1.00 0.00 N ATOM 234 CA LYS A 16 13.965 -3.444 7.923 1.00 0.00 C ATOM 235 C LYS A 16 14.197 -1.934 7.838 1.00 0.00 C ATOM 236 O LYS A 16 15.340 -1.466 7.837 1.00 0.00 O ATOM 237 CB LYS A 16 13.657 -4.008 6.522 1.00 0.00 C ATOM 238 CG LYS A 16 14.776 -3.796 5.513 1.00 0.00 C ATOM 239 CD LYS A 16 14.367 -4.229 4.112 1.00 0.00 C ATOM 240 CE LYS A 16 13.998 -5.703 4.063 1.00 0.00 C ATOM 241 NZ LYS A 16 13.649 -6.138 2.695 1.00 0.00 N ATOM 0 H LYS A 16 12.066 -4.184 8.427 1.00 0.00 H new ATOM 0 HA LYS A 16 14.868 -3.927 8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.455 -5.076 6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.747 -3.541 6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.058 -2.743 5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.657 -4.358 5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.519 -3.631 3.779 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.185 -4.036 3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.833 -6.299 4.432 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.155 -5.889 4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.404 -7.149 2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.836 -5.587 2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.461 -5.985 2.064 1.00 0.00 H new ATOM 255 N ASN A 17 13.101 -1.181 7.787 1.00 0.00 N ATOM 256 CA ASN A 17 13.167 0.281 7.718 1.00 0.00 C ATOM 257 C ASN A 17 13.897 0.839 8.933 1.00 0.00 C ATOM 258 O ASN A 17 14.703 1.762 8.814 1.00 0.00 O ATOM 259 CB ASN A 17 11.757 0.899 7.621 1.00 0.00 C ATOM 260 CG ASN A 17 11.020 0.533 6.335 1.00 0.00 C ATOM 261 OD1 ASN A 17 9.790 0.406 6.324 1.00 0.00 O ATOM 262 ND2 ASN A 17 11.753 0.383 5.244 1.00 0.00 N ATOM 0 H ASN A 17 12.153 -1.558 7.792 1.00 0.00 H new ATOM 0 HA ASN A 17 13.720 0.547 6.817 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.165 0.571 8.476 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.839 1.984 7.688 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.305 0.155 4.356 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.766 0.495 5.291 1.00 0.00 H new ATOM 269 N GLU A 18 13.616 0.269 10.101 1.00 0.00 N ATOM 270 CA GLU A 18 14.268 0.690 11.333 1.00 0.00 C ATOM 271 C GLU A 18 15.747 0.319 11.322 1.00 0.00 C ATOM 272 O GLU A 18 16.592 1.136 11.661 1.00 0.00 O ATOM 273 CB GLU A 18 13.588 0.067 12.550 1.00 0.00 C ATOM 274 CG GLU A 18 12.138 0.478 12.727 1.00 0.00 C ATOM 275 CD GLU A 18 11.537 -0.084 13.991 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.611 0.590 15.042 1.00 0.00 O ATOM 277 OE2 GLU A 18 10.992 -1.211 13.948 1.00 0.00 O ATOM 0 H GLU A 18 12.940 -0.486 10.218 1.00 0.00 H new ATOM 0 HA GLU A 18 14.179 1.774 11.398 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.639 -1.019 12.465 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.145 0.344 13.445 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.070 1.566 12.747 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.558 0.138 11.869 1.00 0.00 H new ATOM 284 N ARG A 19 16.045 -0.917 10.916 1.00 0.00 N ATOM 285 CA ARG A 19 17.430 -1.414 10.860 1.00 0.00 C ATOM 286 C ARG A 19 18.326 -0.489 10.040 1.00 0.00 C ATOM 287 O ARG A 19 19.357 -0.018 10.526 1.00 0.00 O ATOM 288 CB ARG A 19 17.472 -2.831 10.269 1.00 0.00 C ATOM 289 CG ARG A 19 16.870 -3.911 11.162 1.00 0.00 C ATOM 290 CD ARG A 19 17.819 -4.321 12.284 1.00 0.00 C ATOM 291 NE ARG A 19 18.050 -3.253 13.260 1.00 0.00 N ATOM 292 CZ ARG A 19 19.137 -3.164 14.036 1.00 0.00 C ATOM 293 NH1 ARG A 19 20.113 -4.063 13.934 1.00 0.00 N ATOM 294 NH2 ARG A 19 19.241 -2.177 14.911 1.00 0.00 N ATOM 0 H ARG A 19 15.346 -1.598 10.619 1.00 0.00 H new ATOM 0 HA ARG A 19 17.807 -1.438 11.882 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.942 -2.829 9.317 1.00 0.00 H new ATOM 0 HB3 ARG A 19 18.509 -3.091 10.056 1.00 0.00 H new ATOM 0 HG2 ARG A 19 15.937 -3.547 11.592 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.624 -4.785 10.558 1.00 0.00 H new ATOM 0 HD2 ARG A 19 17.411 -5.192 12.797 1.00 0.00 H new ATOM 0 HD3 ARG A 19 18.773 -4.623 11.852 1.00 0.00 H new ATOM 0 HE ARG A 19 17.336 -2.530 13.354 1.00 0.00 H new ATOM 0 HH11 ARG A 19 20.035 -4.826 13.261 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.939 -3.989 14.528 1.00 0.00 H new ATOM 0 HH21 ARG A 19 18.494 -1.487 14.993 1.00 0.00 H new ATOM 0 HH22 ARG A 19 20.068 -2.106 15.504 1.00 0.00 H new ATOM 308 N HIS A 20 17.920 -0.220 8.804 1.00 0.00 N ATOM 309 CA HIS A 20 18.707 0.638 7.913 1.00 0.00 C ATOM 310 C HIS A 20 18.774 2.067 8.439 1.00 0.00 C ATOM 311 O HIS A 20 19.791 2.737 8.297 1.00 0.00 O ATOM 312 CB HIS A 20 18.157 0.619 6.478 1.00 0.00 C ATOM 313 CG HIS A 20 18.326 -0.700 5.778 1.00 0.00 C ATOM 314 ND1 HIS A 20 19.242 -0.910 4.769 1.00 0.00 N ATOM 315 CD2 HIS A 20 17.680 -1.876 5.939 1.00 0.00 C ATOM 316 CE1 HIS A 20 19.150 -2.151 4.341 1.00 0.00 C ATOM 317 NE2 HIS A 20 18.209 -2.761 5.035 1.00 0.00 N ATOM 0 H HIS A 20 17.057 -0.579 8.394 1.00 0.00 H new ATOM 0 HA HIS A 20 19.719 0.234 7.890 1.00 0.00 H new ATOM 0 HB2 HIS A 20 17.097 0.873 6.502 1.00 0.00 H new ATOM 0 HB3 HIS A 20 18.657 1.394 5.897 1.00 0.00 H new ATOM 0 HD1 HIS A 20 19.891 -0.211 4.409 1.00 0.00 H new ATOM 0 HD2 HIS A 20 16.892 -2.081 6.649 1.00 0.00 H new ATOM 0 HE1 HIS A 20 19.744 -2.594 3.555 1.00 0.00 H new ATOM 325 N GLU A 21 17.686 2.528 9.045 1.00 0.00 N ATOM 326 CA GLU A 21 17.654 3.871 9.636 1.00 0.00 C ATOM 327 C GLU A 21 18.662 3.973 10.777 1.00 0.00 C ATOM 328 O GLU A 21 19.386 4.965 10.898 1.00 0.00 O ATOM 329 CB GLU A 21 16.252 4.216 10.149 1.00 0.00 C ATOM 330 CG GLU A 21 16.147 5.600 10.759 1.00 0.00 C ATOM 331 CD GLU A 21 14.773 5.876 11.302 1.00 0.00 C ATOM 332 OE1 GLU A 21 14.563 5.694 12.513 1.00 0.00 O ATOM 333 OE2 GLU A 21 13.890 6.266 10.518 1.00 0.00 O ATOM 0 H GLU A 21 16.818 2.001 9.142 1.00 0.00 H new ATOM 0 HA GLU A 21 17.921 4.585 8.857 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.544 4.138 9.324 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.956 3.477 10.894 1.00 0.00 H new ATOM 0 HG2 GLU A 21 16.879 5.699 11.560 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.395 6.348 10.006 1.00 0.00 H new ATOM 340 N GLU A 22 18.702 2.945 11.610 1.00 0.00 N ATOM 341 CA GLU A 22 19.644 2.905 12.713 1.00 0.00 C ATOM 342 C GLU A 22 21.067 2.879 12.177 1.00 0.00 C ATOM 343 O GLU A 22 21.922 3.645 12.630 1.00 0.00 O ATOM 344 CB GLU A 22 19.372 1.715 13.645 1.00 0.00 C ATOM 345 CG GLU A 22 18.051 1.822 14.399 1.00 0.00 C ATOM 346 CD GLU A 22 17.828 0.680 15.354 1.00 0.00 C ATOM 347 OE1 GLU A 22 18.148 0.834 16.552 1.00 0.00 O ATOM 348 OE2 GLU A 22 17.329 -0.378 14.920 1.00 0.00 O ATOM 0 H GLU A 22 18.093 2.129 11.542 1.00 0.00 H new ATOM 0 HA GLU A 22 19.515 3.808 13.310 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.373 0.797 13.058 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.186 1.634 14.365 1.00 0.00 H new ATOM 0 HG2 GLU A 22 18.029 2.761 14.952 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.231 1.855 13.682 1.00 0.00 H new ATOM 355 N ALA A 23 21.321 1.992 11.208 1.00 0.00 N ATOM 356 CA ALA A 23 22.623 1.935 10.533 1.00 0.00 C ATOM 357 C ALA A 23 22.996 3.291 9.933 1.00 0.00 C ATOM 358 O ALA A 23 24.166 3.642 9.871 1.00 0.00 O ATOM 359 CB ALA A 23 22.638 0.853 9.449 1.00 0.00 C ATOM 0 H ALA A 23 20.644 1.306 10.874 1.00 0.00 H new ATOM 0 HA ALA A 23 23.368 1.677 11.286 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.615 0.835 8.967 1.00 0.00 H new ATOM 0 HB2 ALA A 23 22.438 -0.118 9.902 1.00 0.00 H new ATOM 0 HB3 ALA A 23 21.871 1.072 8.706 1.00 0.00 H new ATOM 365 N GLU A 24 21.990 4.042 9.495 1.00 0.00 N ATOM 366 CA GLU A 24 22.206 5.390 8.946 1.00 0.00 C ATOM 367 C GLU A 24 22.765 6.312 10.030 1.00 0.00 C ATOM 368 O GLU A 24 23.834 6.883 9.870 1.00 0.00 O ATOM 369 CB GLU A 24 20.891 5.970 8.358 1.00 0.00 C ATOM 370 CG GLU A 24 20.935 7.463 8.024 1.00 0.00 C ATOM 371 CD GLU A 24 21.835 7.797 6.852 1.00 0.00 C ATOM 372 OE1 GLU A 24 21.750 7.113 5.819 1.00 0.00 O ATOM 373 OE2 GLU A 24 22.601 8.779 6.945 1.00 0.00 O ATOM 0 H GLU A 24 21.014 3.746 9.507 1.00 0.00 H new ATOM 0 HA GLU A 24 22.930 5.320 8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 24 20.641 5.418 7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.084 5.796 9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 24 19.924 7.807 7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 24 21.276 8.013 8.901 1.00 0.00 H new ATOM 380 N LEU A 25 22.038 6.426 11.139 1.00 0.00 N ATOM 381 CA LEU A 25 22.459 7.259 12.272 1.00 0.00 C ATOM 382 C LEU A 25 23.846 6.840 12.765 1.00 0.00 C ATOM 383 O LEU A 25 24.708 7.679 13.042 1.00 0.00 O ATOM 384 CB LEU A 25 21.452 7.120 13.420 1.00 0.00 C ATOM 385 CG LEU A 25 19.982 7.343 13.055 1.00 0.00 C ATOM 386 CD1 LEU A 25 19.088 7.038 14.240 1.00 0.00 C ATOM 387 CD2 LEU A 25 19.757 8.764 12.576 1.00 0.00 C ATOM 0 H LEU A 25 21.147 5.950 11.281 1.00 0.00 H new ATOM 0 HA LEU A 25 22.500 8.296 11.939 1.00 0.00 H new ATOM 0 HB2 LEU A 25 21.552 6.122 13.846 1.00 0.00 H new ATOM 0 HB3 LEU A 25 21.723 7.829 14.202 1.00 0.00 H new ATOM 0 HG LEU A 25 19.726 6.663 12.243 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.047 7.202 13.962 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.224 5.999 14.540 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.349 7.693 15.071 1.00 0.00 H new ATOM 0 HD21 LEU A 25 18.706 8.900 12.322 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.033 9.462 13.366 1.00 0.00 H new ATOM 0 HD23 LEU A 25 20.370 8.952 11.695 1.00 0.00 H new ATOM 399 N GLU A 26 24.031 5.540 12.849 1.00 0.00 N ATOM 400 CA GLU A 26 25.278 4.957 13.323 1.00 0.00 C ATOM 401 C GLU A 26 26.430 5.240 12.349 1.00 0.00 C ATOM 402 O GLU A 26 27.505 5.694 12.751 1.00 0.00 O ATOM 403 CB GLU A 26 25.116 3.452 13.528 1.00 0.00 C ATOM 404 CG GLU A 26 26.327 2.781 14.151 1.00 0.00 C ATOM 405 CD GLU A 26 26.171 1.283 14.252 1.00 0.00 C ATOM 406 OE1 GLU A 26 25.746 0.791 15.326 1.00 0.00 O ATOM 407 OE2 GLU A 26 26.469 0.587 13.263 1.00 0.00 O ATOM 0 H GLU A 26 23.323 4.853 12.591 1.00 0.00 H new ATOM 0 HA GLU A 26 25.523 5.420 14.279 1.00 0.00 H new ATOM 0 HB2 GLU A 26 24.248 3.273 14.162 1.00 0.00 H new ATOM 0 HB3 GLU A 26 24.909 2.984 12.565 1.00 0.00 H new ATOM 0 HG2 GLU A 26 27.211 3.012 13.557 1.00 0.00 H new ATOM 0 HG3 GLU A 26 26.495 3.193 15.146 1.00 0.00 H new ATOM 414 N ARG A 27 26.190 4.995 11.069 1.00 0.00 N ATOM 415 CA ARG A 27 27.227 5.167 10.049 1.00 0.00 C ATOM 416 C ARG A 27 27.484 6.635 9.746 1.00 0.00 C ATOM 417 O ARG A 27 28.610 7.017 9.470 1.00 0.00 O ATOM 418 CB ARG A 27 26.879 4.406 8.764 1.00 0.00 C ATOM 419 CG ARG A 27 27.960 4.462 7.696 1.00 0.00 C ATOM 420 CD ARG A 27 27.602 3.579 6.514 1.00 0.00 C ATOM 421 NE ARG A 27 27.570 2.156 6.875 1.00 0.00 N ATOM 422 CZ ARG A 27 26.455 1.419 6.968 1.00 0.00 C ATOM 423 NH1 ARG A 27 25.257 1.985 6.831 1.00 0.00 N ATOM 424 NH2 ARG A 27 26.540 0.121 7.228 1.00 0.00 N ATOM 0 H ARG A 27 25.291 4.677 10.708 1.00 0.00 H new ATOM 0 HA ARG A 27 28.145 4.745 10.458 1.00 0.00 H new ATOM 0 HB2 ARG A 27 26.684 3.363 9.014 1.00 0.00 H new ATOM 0 HB3 ARG A 27 25.955 4.813 8.352 1.00 0.00 H new ATOM 0 HG2 ARG A 27 28.091 5.490 7.360 1.00 0.00 H new ATOM 0 HG3 ARG A 27 28.912 4.141 8.119 1.00 0.00 H new ATOM 0 HD2 ARG A 27 26.629 3.875 6.123 1.00 0.00 H new ATOM 0 HD3 ARG A 27 28.327 3.733 5.715 1.00 0.00 H new ATOM 0 HE ARG A 27 28.460 1.696 7.069 1.00 0.00 H new ATOM 0 HH11 ARG A 27 25.184 2.987 6.654 1.00 0.00 H new ATOM 0 HH12 ARG A 27 24.413 1.417 6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 27 27.453 -0.315 7.357 1.00 0.00 H new ATOM 0 HH22 ARG A 27 25.692 -0.441 7.299 1.00 0.00 H new ATOM 438 N LEU A 28 26.445 7.458 9.808 1.00 0.00 N ATOM 439 CA LEU A 28 26.613 8.889 9.552 1.00 0.00 C ATOM 440 C LEU A 28 27.498 9.489 10.626 1.00 0.00 C ATOM 441 O LEU A 28 28.304 10.386 10.366 1.00 0.00 O ATOM 442 CB LEU A 28 25.269 9.631 9.511 1.00 0.00 C ATOM 443 CG LEU A 28 25.360 11.123 9.174 1.00 0.00 C ATOM 444 CD1 LEU A 28 25.851 11.326 7.748 1.00 0.00 C ATOM 445 CD2 LEU A 28 24.021 11.798 9.383 1.00 0.00 C ATOM 0 H LEU A 28 25.492 7.170 10.029 1.00 0.00 H new ATOM 0 HA LEU A 28 27.077 9.002 8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 28 24.627 9.147 8.775 1.00 0.00 H new ATOM 0 HB3 LEU A 28 24.782 9.522 10.480 1.00 0.00 H new ATOM 0 HG LEU A 28 26.083 11.582 9.848 1.00 0.00 H new ATOM 0 HD11 LEU A 28 25.908 12.393 7.531 1.00 0.00 H new ATOM 0 HD12 LEU A 28 26.839 10.880 7.637 1.00 0.00 H new ATOM 0 HD13 LEU A 28 25.158 10.851 7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 28 24.105 12.857 9.139 1.00 0.00 H new ATOM 0 HD22 LEU A 28 23.275 11.335 8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 28 23.717 11.689 10.424 1.00 0.00 H new ATOM 457 N LYS A 29 27.338 8.980 11.838 1.00 0.00 N ATOM 458 CA LYS A 29 28.156 9.407 12.959 1.00 0.00 C ATOM 459 C LYS A 29 29.620 9.083 12.668 1.00 0.00 C ATOM 460 O LYS A 29 30.498 9.937 12.816 1.00 0.00 O ATOM 461 CB LYS A 29 27.699 8.733 14.265 1.00 0.00 C ATOM 462 CG LYS A 29 28.260 9.381 15.513 1.00 0.00 C ATOM 463 CD LYS A 29 27.671 8.762 16.767 1.00 0.00 C ATOM 464 CE LYS A 29 28.050 9.555 18.008 1.00 0.00 C ATOM 465 NZ LYS A 29 27.482 10.932 17.981 1.00 0.00 N ATOM 0 H LYS A 29 26.646 8.268 12.069 1.00 0.00 H new ATOM 0 HA LYS A 29 28.044 10.483 13.089 1.00 0.00 H new ATOM 0 HB2 LYS A 29 26.610 8.755 14.313 1.00 0.00 H new ATOM 0 HB3 LYS A 29 27.996 7.685 14.246 1.00 0.00 H new ATOM 0 HG2 LYS A 29 29.344 9.272 15.526 1.00 0.00 H new ATOM 0 HG3 LYS A 29 28.047 10.450 15.498 1.00 0.00 H new ATOM 0 HD2 LYS A 29 26.585 8.719 16.678 1.00 0.00 H new ATOM 0 HD3 LYS A 29 28.023 7.735 16.868 1.00 0.00 H new ATOM 0 HE2 LYS A 29 27.694 9.032 18.896 1.00 0.00 H new ATOM 0 HE3 LYS A 29 29.136 9.611 18.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 27.462 11.318 18.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 28.072 11.539 17.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 26.515 10.901 17.600 1.00 0.00 H new ATOM 479 N SER A 30 29.873 7.846 12.241 1.00 0.00 N ATOM 480 CA SER A 30 31.214 7.414 11.864 1.00 0.00 C ATOM 481 C SER A 30 31.729 8.237 10.678 1.00 0.00 C ATOM 482 O SER A 30 32.906 8.622 10.637 1.00 0.00 O ATOM 483 CB SER A 30 31.197 5.929 11.495 1.00 0.00 C ATOM 484 OG SER A 30 30.606 5.152 12.526 1.00 0.00 O ATOM 0 H SER A 30 29.160 7.123 12.148 1.00 0.00 H new ATOM 0 HA SER A 30 31.881 7.568 12.712 1.00 0.00 H new ATOM 0 HB2 SER A 30 30.643 5.788 10.567 1.00 0.00 H new ATOM 0 HB3 SER A 30 32.215 5.585 11.314 1.00 0.00 H new ATOM 0 HG SER A 30 29.633 5.271 12.509 1.00 0.00 H new ATOM 490 N GLU A 31 30.835 8.503 9.727 1.00 0.00 N ATOM 491 CA GLU A 31 31.154 9.275 8.534 1.00 0.00 C ATOM 492 C GLU A 31 31.728 10.625 8.926 1.00 0.00 C ATOM 493 O GLU A 31 32.868 10.930 8.623 1.00 0.00 O ATOM 494 CB GLU A 31 29.878 9.497 7.714 1.00 0.00 C ATOM 495 CG GLU A 31 30.099 10.124 6.351 1.00 0.00 C ATOM 496 CD GLU A 31 30.576 9.126 5.330 1.00 0.00 C ATOM 497 OE1 GLU A 31 29.723 8.431 4.745 1.00 0.00 O ATOM 498 OE2 GLU A 31 31.795 9.036 5.107 1.00 0.00 O ATOM 0 H GLU A 31 29.866 8.186 9.765 1.00 0.00 H new ATOM 0 HA GLU A 31 31.887 8.726 7.943 1.00 0.00 H new ATOM 0 HB2 GLU A 31 29.377 8.538 7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 31 29.202 10.133 8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 31 29.168 10.575 6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 31 30.830 10.928 6.438 1.00 0.00 H new ATOM 505 N ARG A 32 30.920 11.410 9.635 1.00 0.00 N ATOM 506 CA ARG A 32 31.307 12.751 10.090 1.00 0.00 C ATOM 507 C ARG A 32 32.639 12.781 10.833 1.00 0.00 C ATOM 508 O ARG A 32 33.343 13.790 10.804 1.00 0.00 O ATOM 509 CB ARG A 32 30.202 13.371 10.945 1.00 0.00 C ATOM 510 CG ARG A 32 28.997 13.833 10.143 1.00 0.00 C ATOM 511 CD ARG A 32 29.406 14.861 9.102 1.00 0.00 C ATOM 512 NE ARG A 32 28.267 15.428 8.394 1.00 0.00 N ATOM 513 CZ ARG A 32 28.343 16.494 7.598 1.00 0.00 C ATOM 514 NH1 ARG A 32 29.508 17.099 7.409 1.00 0.00 N ATOM 515 NH2 ARG A 32 27.255 16.952 6.996 1.00 0.00 N ATOM 0 H ARG A 32 29.977 11.138 9.912 1.00 0.00 H new ATOM 0 HA ARG A 32 31.446 13.348 9.189 1.00 0.00 H new ATOM 0 HB2 ARG A 32 29.876 12.642 11.687 1.00 0.00 H new ATOM 0 HB3 ARG A 32 30.611 14.221 11.492 1.00 0.00 H new ATOM 0 HG2 ARG A 32 28.531 12.978 9.653 1.00 0.00 H new ATOM 0 HG3 ARG A 32 28.252 14.263 10.812 1.00 0.00 H new ATOM 0 HD2 ARG A 32 29.962 15.663 9.588 1.00 0.00 H new ATOM 0 HD3 ARG A 32 30.080 14.396 8.383 1.00 0.00 H new ATOM 0 HE ARG A 32 27.357 14.983 8.514 1.00 0.00 H new ATOM 0 HH11 ARG A 32 30.346 16.748 7.873 1.00 0.00 H new ATOM 0 HH12 ARG A 32 29.566 17.915 6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 32 26.358 16.489 7.142 1.00 0.00 H new ATOM 0 HH22 ARG A 32 27.314 17.768 6.387 1.00 0.00 H new ATOM 529 N HIS A 33 32.987 11.689 11.489 1.00 0.00 N ATOM 530 CA HIS A 33 34.246 11.627 12.225 1.00 0.00 C ATOM 531 C HIS A 33 35.443 11.663 11.274 1.00 0.00 C ATOM 532 O HIS A 33 36.383 12.425 11.480 1.00 0.00 O ATOM 533 CB HIS A 33 34.310 10.379 13.112 1.00 0.00 C ATOM 534 CG HIS A 33 33.346 10.399 14.261 1.00 0.00 C ATOM 535 ND1 HIS A 33 32.874 9.255 14.872 1.00 0.00 N ATOM 536 CD2 HIS A 33 32.764 11.434 14.913 1.00 0.00 C ATOM 537 CE1 HIS A 33 32.048 9.581 15.843 1.00 0.00 C ATOM 538 NE2 HIS A 33 31.962 10.900 15.892 1.00 0.00 N ATOM 0 H HIS A 33 32.425 10.839 11.530 1.00 0.00 H new ATOM 0 HA HIS A 33 34.291 12.506 12.868 1.00 0.00 H new ATOM 0 HB2 HIS A 33 34.112 9.500 12.499 1.00 0.00 H new ATOM 0 HB3 HIS A 33 35.322 10.274 13.502 1.00 0.00 H new ATOM 0 HD2 HIS A 33 32.904 12.484 14.702 1.00 0.00 H new ATOM 0 HE1 HIS A 33 31.529 8.889 16.490 1.00 0.00 H new ATOM 0 HE2 HIS A 33 31.393 11.433 16.549 1.00 0.00 H new ATOM 546 N ASP A 34 35.390 10.855 10.226 1.00 0.00 N ATOM 547 CA ASP A 34 36.502 10.780 9.263 1.00 0.00 C ATOM 548 C ASP A 34 36.334 11.806 8.140 1.00 0.00 C ATOM 549 O ASP A 34 37.313 12.369 7.644 1.00 0.00 O ATOM 550 CB ASP A 34 36.623 9.364 8.677 1.00 0.00 C ATOM 551 CG ASP A 34 37.850 9.203 7.803 1.00 0.00 C ATOM 552 OD1 ASP A 34 38.964 9.060 8.355 1.00 0.00 O ATOM 553 OD2 ASP A 34 37.710 9.211 6.563 1.00 0.00 O ATOM 0 H ASP A 34 34.602 10.244 10.013 1.00 0.00 H new ATOM 0 HA ASP A 34 37.420 11.013 9.802 1.00 0.00 H new ATOM 0 HB2 ASP A 34 36.662 8.639 9.490 1.00 0.00 H new ATOM 0 HB3 ASP A 34 35.731 9.139 8.092 1.00 0.00 H new ATOM 558 N HIS A 35 35.079 12.063 7.774 1.00 0.00 N ATOM 559 CA HIS A 35 34.720 13.015 6.692 1.00 0.00 C ATOM 560 C HIS A 35 35.313 14.405 6.934 1.00 0.00 C ATOM 561 O HIS A 35 35.539 15.164 5.990 1.00 0.00 O ATOM 562 CB HIS A 35 33.179 13.114 6.547 1.00 0.00 C ATOM 563 CG HIS A 35 32.707 14.120 5.538 1.00 0.00 C ATOM 564 ND1 HIS A 35 32.144 15.330 5.889 1.00 0.00 N ATOM 565 CD2 HIS A 35 32.704 14.087 4.188 1.00 0.00 C ATOM 566 CE1 HIS A 35 31.816 15.995 4.799 1.00 0.00 C ATOM 567 NE2 HIS A 35 32.145 15.265 3.755 1.00 0.00 N ATOM 0 H HIS A 35 34.271 11.622 8.213 1.00 0.00 H new ATOM 0 HA HIS A 35 35.145 12.628 5.766 1.00 0.00 H new ATOM 0 HB2 HIS A 35 32.790 12.134 6.272 1.00 0.00 H new ATOM 0 HB3 HIS A 35 32.752 13.365 7.518 1.00 0.00 H new ATOM 0 HD2 HIS A 35 33.072 13.285 3.565 1.00 0.00 H new ATOM 0 HE1 HIS A 35 31.356 16.972 4.768 1.00 0.00 H new ATOM 0 HE2 HIS A 35 32.007 15.531 2.780 1.00 0.00 H new ATOM 575 N ASP A 36 35.564 14.729 8.193 1.00 0.00 N ATOM 576 CA ASP A 36 36.138 16.032 8.554 1.00 0.00 C ATOM 577 C ASP A 36 37.524 16.206 7.924 1.00 0.00 C ATOM 578 O ASP A 36 37.955 17.322 7.633 1.00 0.00 O ATOM 579 CB ASP A 36 36.228 16.192 10.084 1.00 0.00 C ATOM 580 CG ASP A 36 36.707 17.569 10.502 1.00 0.00 C ATOM 581 OD1 ASP A 36 35.881 18.507 10.535 1.00 0.00 O ATOM 582 OD2 ASP A 36 37.913 17.723 10.807 1.00 0.00 O ATOM 0 H ASP A 36 35.382 14.114 8.986 1.00 0.00 H new ATOM 0 HA ASP A 36 35.476 16.806 8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 36 35.248 16.004 10.523 1.00 0.00 H new ATOM 0 HB3 ASP A 36 36.907 15.439 10.485 1.00 0.00 H new ATOM 587 N LYS A 37 38.195 15.093 7.685 1.00 0.00 N ATOM 588 CA LYS A 37 39.522 15.100 7.100 1.00 0.00 C ATOM 589 C LYS A 37 39.453 14.569 5.677 1.00 0.00 C ATOM 590 O LYS A 37 40.136 15.062 4.774 1.00 0.00 O ATOM 591 CB LYS A 37 40.482 14.244 7.934 1.00 0.00 C ATOM 592 CG LYS A 37 40.603 14.672 9.392 1.00 0.00 C ATOM 593 CD LYS A 37 41.157 16.083 9.520 1.00 0.00 C ATOM 594 CE LYS A 37 41.359 16.476 10.978 1.00 0.00 C ATOM 595 NZ LYS A 37 40.088 16.449 11.746 1.00 0.00 N ATOM 0 H LYS A 37 37.835 14.161 7.891 1.00 0.00 H new ATOM 0 HA LYS A 37 39.897 16.123 7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 37 40.148 13.207 7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 37 41.470 14.277 7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 37 39.624 14.621 9.869 1.00 0.00 H new ATOM 0 HG3 LYS A 37 41.253 13.976 9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 37 42.107 16.151 8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 37 40.475 16.787 9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 37 42.076 15.797 11.440 1.00 0.00 H new ATOM 0 HE3 LYS A 37 41.790 17.476 11.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 40.183 17.041 12.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 39.316 16.816 11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 39.873 15.471 12.028 1.00 0.00 H new ATOM 609 N LYS A 38 38.621 13.565 5.480 1.00 0.00 N ATOM 610 CA LYS A 38 38.435 12.986 4.175 1.00 0.00 C ATOM 611 C LYS A 38 37.178 13.534 3.530 1.00 0.00 C ATOM 612 O LYS A 38 36.070 13.046 3.775 1.00 0.00 O ATOM 613 CB LYS A 38 38.381 11.449 4.243 1.00 0.00 C ATOM 614 CG LYS A 38 38.184 10.776 2.890 1.00 0.00 C ATOM 615 CD LYS A 38 39.257 11.192 1.901 1.00 0.00 C ATOM 616 CE LYS A 38 39.035 10.557 0.544 1.00 0.00 C ATOM 617 NZ LYS A 38 40.025 11.029 -0.447 1.00 0.00 N ATOM 0 H LYS A 38 38.062 13.135 6.217 1.00 0.00 H new ATOM 0 HA LYS A 38 39.294 13.260 3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 38 39.306 11.082 4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 38 37.568 11.153 4.906 1.00 0.00 H new ATOM 0 HG2 LYS A 38 38.203 9.693 3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 38 37.202 11.034 2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 38 39.260 12.277 1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 38 40.237 10.905 2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 38 39.099 9.473 0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 38 38.029 10.789 0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 39.843 10.574 -1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 39.947 12.061 -0.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 40.983 10.785 -0.124 1.00 0.00 H new ATOM 631 N GLU A 39 37.351 14.593 2.759 1.00 0.00 N ATOM 632 CA GLU A 39 36.247 15.183 2.012 1.00 0.00 C ATOM 633 C GLU A 39 35.569 14.127 1.140 1.00 0.00 C ATOM 634 O GLU A 39 36.234 13.359 0.427 1.00 0.00 O ATOM 635 CB GLU A 39 36.718 16.365 1.142 1.00 0.00 C ATOM 636 CG GLU A 39 37.655 15.980 0.005 1.00 0.00 C ATOM 637 CD GLU A 39 37.912 17.122 -0.942 1.00 0.00 C ATOM 638 OE1 GLU A 39 37.219 17.213 -1.970 1.00 0.00 O ATOM 639 OE2 GLU A 39 38.814 17.933 -0.668 1.00 0.00 O ATOM 0 H GLU A 39 38.246 15.065 2.632 1.00 0.00 H new ATOM 0 HA GLU A 39 35.527 15.565 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 39 35.843 16.862 0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 39 37.221 17.091 1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 39 38.602 15.636 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 39 37.227 15.144 -0.547 1.00 0.00 H new ATOM 646 N ALA A 40 34.260 14.095 1.206 1.00 0.00 N ATOM 647 CA ALA A 40 33.463 13.133 0.476 1.00 0.00 C ATOM 648 C ALA A 40 31.997 13.522 0.570 1.00 0.00 C ATOM 649 O ALA A 40 31.678 14.670 0.898 1.00 0.00 O ATOM 650 CB ALA A 40 33.680 11.726 1.034 1.00 0.00 C ATOM 0 H ALA A 40 33.711 14.741 1.773 1.00 0.00 H new ATOM 0 HA ALA A 40 33.769 13.132 -0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 40 33.073 11.015 0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 40 34.732 11.457 0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 40 33.390 11.702 2.084 1.00 0.00 H new ATOM 656 N GLU A 41 31.110 12.584 0.304 1.00 0.00 N ATOM 657 CA GLU A 41 29.695 12.863 0.359 1.00 0.00 C ATOM 658 C GLU A 41 29.025 12.164 1.548 1.00 0.00 C ATOM 659 O GLU A 41 28.900 12.749 2.623 1.00 0.00 O ATOM 660 CB GLU A 41 29.017 12.512 -0.977 1.00 0.00 C ATOM 661 CG GLU A 41 29.507 11.220 -1.622 1.00 0.00 C ATOM 662 CD GLU A 41 28.821 10.939 -2.936 1.00 0.00 C ATOM 663 OE1 GLU A 41 27.664 10.459 -2.915 1.00 0.00 O ATOM 664 OE2 GLU A 41 29.431 11.192 -3.997 1.00 0.00 O ATOM 0 H GLU A 41 31.346 11.625 0.049 1.00 0.00 H new ATOM 0 HA GLU A 41 29.569 13.934 0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.942 12.435 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 41 29.175 13.333 -1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 41 30.583 11.282 -1.783 1.00 0.00 H new ATOM 0 HG3 GLU A 41 29.334 10.388 -0.940 1.00 0.00 H new ATOM 671 N ARG A 42 28.624 10.916 1.357 1.00 0.00 N ATOM 672 CA ARG A 42 27.981 10.144 2.357 1.00 0.00 C ATOM 673 C ARG A 42 27.857 8.730 1.837 1.00 0.00 C ATOM 674 O ARG A 42 27.278 8.484 0.772 1.00 0.00 O ATOM 675 CB ARG A 42 26.597 10.745 2.671 1.00 0.00 C ATOM 676 CG ARG A 42 25.708 9.902 3.573 1.00 0.00 C ATOM 677 CD ARG A 42 24.420 10.649 3.897 1.00 0.00 C ATOM 678 NE ARG A 42 23.313 9.750 4.236 1.00 0.00 N ATOM 679 CZ ARG A 42 22.159 9.696 3.554 1.00 0.00 C ATOM 680 NH1 ARG A 42 21.961 10.491 2.508 1.00 0.00 N ATOM 681 NH2 ARG A 42 21.212 8.846 3.915 1.00 0.00 N ATOM 0 H ARG A 42 28.749 10.420 0.475 1.00 0.00 H new ATOM 0 HA ARG A 42 28.557 10.145 3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 42 26.741 11.719 3.139 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.073 10.917 1.731 1.00 0.00 H new ATOM 0 HG2 ARG A 42 25.474 8.957 3.083 1.00 0.00 H new ATOM 0 HG3 ARG A 42 26.238 9.661 4.495 1.00 0.00 H new ATOM 0 HD2 ARG A 42 24.599 11.328 4.731 1.00 0.00 H new ATOM 0 HD3 ARG A 42 24.136 11.262 3.042 1.00 0.00 H new ATOM 0 HE ARG A 42 23.427 9.129 5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 42 22.688 11.146 2.220 1.00 0.00 H new ATOM 0 HH12 ARG A 42 21.082 10.446 1.993 1.00 0.00 H new ATOM 0 HH21 ARG A 42 21.358 8.229 4.714 1.00 0.00 H new ATOM 0 HH22 ARG A 42 20.336 8.807 3.394 1.00 0.00 H new ATOM 695 N LYS A 43 28.403 7.832 2.575 1.00 0.00 N ATOM 696 CA LYS A 43 28.370 6.413 2.256 1.00 0.00 C ATOM 697 C LYS A 43 27.100 5.774 2.782 1.00 0.00 C ATOM 698 O LYS A 43 26.662 4.734 2.294 1.00 0.00 O ATOM 699 CB LYS A 43 29.591 5.719 2.857 1.00 0.00 C ATOM 700 CG LYS A 43 30.905 6.374 2.475 1.00 0.00 C ATOM 701 CD LYS A 43 32.078 5.743 3.201 1.00 0.00 C ATOM 702 CE LYS A 43 33.374 6.469 2.882 1.00 0.00 C ATOM 703 NZ LYS A 43 33.635 6.521 1.422 1.00 0.00 N ATOM 0 H LYS A 43 28.900 8.046 3.439 1.00 0.00 H new ATOM 0 HA LYS A 43 28.388 6.301 1.172 1.00 0.00 H new ATOM 0 HB2 LYS A 43 29.499 5.713 3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 43 29.604 4.678 2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 43 31.055 6.289 1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 43 30.863 7.438 2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 43 31.900 5.767 4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 43 32.165 4.695 2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 43 33.329 7.483 3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 43 34.203 5.968 3.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 34.612 6.837 1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 33.503 5.575 1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 32.974 7.188 0.975 1.00 0.00 H new ATOM 717 N ALA A 44 26.509 6.409 3.781 1.00 0.00 N ATOM 718 CA ALA A 44 25.288 5.900 4.404 1.00 0.00 C ATOM 719 C ALA A 44 24.160 5.751 3.383 1.00 0.00 C ATOM 720 O ALA A 44 23.404 4.784 3.424 1.00 0.00 O ATOM 721 CB ALA A 44 24.860 6.786 5.568 1.00 0.00 C ATOM 0 H ALA A 44 26.853 7.281 4.182 1.00 0.00 H new ATOM 0 HA ALA A 44 25.507 4.908 4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 44 23.950 6.386 6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 44 25.651 6.810 6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 44 24.673 7.797 5.206 1.00 0.00 H new ATOM 727 N LEU A 45 24.070 6.707 2.451 1.00 0.00 N ATOM 728 CA LEU A 45 23.068 6.686 1.365 1.00 0.00 C ATOM 729 C LEU A 45 23.121 5.388 0.533 1.00 0.00 C ATOM 730 O LEU A 45 22.172 5.054 -0.180 1.00 0.00 O ATOM 731 CB LEU A 45 23.267 7.907 0.447 1.00 0.00 C ATOM 732 CG LEU A 45 22.324 8.011 -0.758 1.00 0.00 C ATOM 733 CD1 LEU A 45 20.878 8.126 -0.306 1.00 0.00 C ATOM 734 CD2 LEU A 45 22.705 9.197 -1.628 1.00 0.00 C ATOM 0 H LEU A 45 24.687 7.519 2.423 1.00 0.00 H new ATOM 0 HA LEU A 45 22.084 6.726 1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 45 23.155 8.809 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 45 24.293 7.895 0.079 1.00 0.00 H new ATOM 0 HG LEU A 45 22.423 7.100 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 45 20.229 8.198 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 45 20.607 7.245 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 45 20.759 9.018 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 45 22.026 9.257 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 45 22.636 10.114 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 45 23.727 9.072 -1.987 1.00 0.00 H new ATOM 746 N GLU A 46 24.207 4.650 0.646 1.00 0.00 N ATOM 747 CA GLU A 46 24.353 3.434 -0.133 1.00 0.00 C ATOM 748 C GLU A 46 23.727 2.269 0.624 1.00 0.00 C ATOM 749 O GLU A 46 23.198 1.338 0.034 1.00 0.00 O ATOM 750 CB GLU A 46 25.826 3.133 -0.436 1.00 0.00 C ATOM 751 CG GLU A 46 26.017 1.926 -1.338 1.00 0.00 C ATOM 752 CD GLU A 46 27.457 1.506 -1.454 1.00 0.00 C ATOM 753 OE1 GLU A 46 28.079 1.786 -2.495 1.00 0.00 O ATOM 754 OE2 GLU A 46 27.975 0.885 -0.503 1.00 0.00 O ATOM 0 H GLU A 46 24.992 4.865 1.260 1.00 0.00 H new ATOM 0 HA GLU A 46 23.841 3.574 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 46 26.279 4.006 -0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 46 26.356 2.965 0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 46 25.430 1.093 -0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 46 25.629 2.155 -2.331 1.00 0.00 H new ATOM 761 N ASP A 47 23.779 2.353 1.941 1.00 0.00 N ATOM 762 CA ASP A 47 23.280 1.285 2.804 1.00 0.00 C ATOM 763 C ASP A 47 21.830 1.531 3.221 1.00 0.00 C ATOM 764 O ASP A 47 21.107 0.604 3.576 1.00 0.00 O ATOM 765 CB ASP A 47 24.174 1.129 4.034 1.00 0.00 C ATOM 766 CG ASP A 47 23.758 -0.024 4.921 1.00 0.00 C ATOM 767 OD1 ASP A 47 23.940 -1.188 4.515 1.00 0.00 O ATOM 768 OD2 ASP A 47 23.278 0.227 6.045 1.00 0.00 O ATOM 0 H ASP A 47 24.163 3.153 2.444 1.00 0.00 H new ATOM 0 HA ASP A 47 23.306 0.357 2.232 1.00 0.00 H new ATOM 0 HB2 ASP A 47 25.204 0.979 3.712 1.00 0.00 H new ATOM 0 HB3 ASP A 47 24.152 2.052 4.613 1.00 0.00 H new ATOM 773 N LYS A 48 21.403 2.784 3.151 1.00 0.00 N ATOM 774 CA LYS A 48 20.042 3.158 3.551 1.00 0.00 C ATOM 775 C LYS A 48 19.104 3.101 2.339 1.00 0.00 C ATOM 776 O LYS A 48 17.959 3.549 2.389 1.00 0.00 O ATOM 777 CB LYS A 48 20.030 4.572 4.183 1.00 0.00 C ATOM 778 CG LYS A 48 18.679 4.992 4.760 1.00 0.00 C ATOM 779 CD LYS A 48 18.715 6.412 5.294 1.00 0.00 C ATOM 780 CE LYS A 48 17.339 6.874 5.743 1.00 0.00 C ATOM 781 NZ LYS A 48 16.412 7.057 4.595 1.00 0.00 N ATOM 0 H LYS A 48 21.974 3.562 2.822 1.00 0.00 H new ATOM 0 HA LYS A 48 19.690 2.448 4.300 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.778 4.609 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 48 20.330 5.298 3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.913 4.912 3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.397 4.309 5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.410 6.469 6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.091 7.083 4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.919 6.144 6.435 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.432 7.814 6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.560 7.561 4.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.884 7.611 3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.143 6.127 4.215 1.00 0.00 H new ATOM 795 N LEU A 49 19.588 2.518 1.267 1.00 0.00 N ATOM 796 CA LEU A 49 18.827 2.412 0.051 1.00 0.00 C ATOM 797 C LEU A 49 19.330 1.219 -0.751 1.00 0.00 C ATOM 798 O LEU A 49 18.640 0.207 -0.865 1.00 0.00 O ATOM 799 CB LEU A 49 18.960 3.702 -0.758 1.00 0.00 C ATOM 800 CG LEU A 49 18.109 3.797 -2.017 1.00 0.00 C ATOM 801 CD1 LEU A 49 16.631 3.870 -1.663 1.00 0.00 C ATOM 802 CD2 LEU A 49 18.527 4.999 -2.838 1.00 0.00 C ATOM 0 H LEU A 49 20.519 2.105 1.217 1.00 0.00 H new ATOM 0 HA LEU A 49 17.773 2.262 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.707 4.541 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 49 20.006 3.822 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 49 18.266 2.898 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 49 16.041 3.937 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.344 2.975 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 49 16.447 4.750 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 49 17.912 5.058 -3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 49 18.395 5.906 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 49 19.575 4.899 -3.121 1.00 0.00 H new ATOM 814 N ALA A 50 20.541 1.369 -1.307 1.00 0.00 N ATOM 815 CA ALA A 50 21.227 0.305 -2.058 1.00 0.00 C ATOM 816 C ALA A 50 20.620 0.157 -3.439 1.00 0.00 C ATOM 817 O ALA A 50 20.562 -0.936 -4.003 1.00 0.00 O ATOM 818 CB ALA A 50 21.210 -1.022 -1.295 1.00 0.00 C ATOM 0 H ALA A 50 21.076 2.236 -1.249 1.00 0.00 H new ATOM 0 HA ALA A 50 22.272 0.593 -2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 50 21.725 -1.784 -1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 50 21.714 -0.897 -0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 50 20.179 -1.331 -1.125 1.00 0.00 H new ATOM 824 N ASP A 51 20.214 1.280 -3.993 1.00 0.00 N ATOM 825 CA ASP A 51 19.606 1.308 -5.311 1.00 0.00 C ATOM 826 C ASP A 51 20.467 2.089 -6.283 1.00 0.00 C ATOM 827 O ASP A 51 20.239 2.044 -7.489 1.00 0.00 O ATOM 828 CB ASP A 51 18.186 1.887 -5.264 1.00 0.00 C ATOM 829 CG ASP A 51 17.157 0.886 -4.764 1.00 0.00 C ATOM 830 OD1 ASP A 51 16.668 0.072 -5.585 1.00 0.00 O ATOM 831 OD2 ASP A 51 16.822 0.909 -3.564 1.00 0.00 O ATOM 0 H ASP A 51 20.294 2.194 -3.548 1.00 0.00 H new ATOM 0 HA ASP A 51 19.534 0.278 -5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 51 18.177 2.764 -4.616 1.00 0.00 H new ATOM 0 HB3 ASP A 51 17.903 2.224 -6.261 1.00 0.00 H new ATOM 836 N TYR A 52 21.457 2.811 -5.740 1.00 0.00 N ATOM 837 CA TYR A 52 22.408 3.596 -6.535 1.00 0.00 C ATOM 838 C TYR A 52 21.723 4.656 -7.383 1.00 0.00 C ATOM 839 O TYR A 52 21.513 5.770 -6.869 1.00 0.00 O ATOM 840 CB TYR A 52 23.306 2.691 -7.386 1.00 0.00 C ATOM 841 CG TYR A 52 24.350 1.961 -6.569 1.00 0.00 C ATOM 842 CD1 TYR A 52 24.046 0.775 -5.914 1.00 0.00 C ATOM 843 CD2 TYR A 52 25.635 2.470 -6.441 1.00 0.00 C ATOM 844 CE1 TYR A 52 24.993 0.119 -5.155 1.00 0.00 C ATOM 845 CE2 TYR A 52 26.587 1.816 -5.687 1.00 0.00 C ATOM 846 CZ TYR A 52 26.261 0.643 -5.045 1.00 0.00 C ATOM 847 OH TYR A 52 27.206 -0.004 -4.282 1.00 0.00 O ATOM 848 OXT TYR A 52 21.410 4.391 -8.560 1.00 0.00 O ATOM 0 H TYR A 52 21.620 2.866 -4.735 1.00 0.00 H new ATOM 0 HA TYR A 52 23.044 4.127 -5.827 1.00 0.00 H new ATOM 0 HB2 TYR A 52 22.687 1.962 -7.910 1.00 0.00 H new ATOM 0 HB3 TYR A 52 23.803 3.293 -8.147 1.00 0.00 H new ATOM 0 HD1 TYR A 52 23.053 0.360 -6.000 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.893 3.393 -6.940 1.00 0.00 H new ATOM 0 HE1 TYR A 52 24.741 -0.801 -4.649 1.00 0.00 H new ATOM 0 HE2 TYR A 52 27.584 2.223 -5.601 1.00 0.00 H new ATOM 0 HH TYR A 52 27.788 0.657 -3.852 1.00 0.00 H new TER 858 TYR A 52