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 2 SER OG : rot 175:sc= 1.07 USER MOD Set 1.2: A 29 LYS NZ :NH3+ -165:sc= 1.24 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 143:sc= 1.24 (180deg=0.655) USER MOD Single : A 5 LYS NZ :NH3+ -148:sc= 2.38 (180deg=2.11) USER MOD Single : A 7 THR OG1 : rot 25:sc= 0.801 USER MOD Single : A 13 GLN : amide:sc= 0.659 K(o=0.66,f=-1.7!) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0.68 (180deg=0.608) USER MOD Single : A 17 ASN : amide:sc= -0.0487 X(o=-0.049,f=-0.1) USER MOD Single : A 20 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.11) USER MOD Single : A 30 SER OG : rot 26:sc= 0.901 USER MOD Single : A 33 HIS : no HD1:sc= -0.533 X(o=-0.53,f=-0.068) USER MOD Single : A 35 HIS : no HD1:sc= 0.572 K(o=0.57,f=-3.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.122) USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= 1.14 (180deg=0.666) USER MOD Single : A 48 LYS NZ :NH3+ -121:sc= 1.15 (180deg=0.569) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.991 -25.260 -1.946 1.00 0.00 N ATOM 2 CA GLY A 1 7.190 -24.446 -1.642 1.00 0.00 C ATOM 3 C GLY A 1 6.844 -23.025 -1.248 1.00 0.00 C ATOM 4 O GLY A 1 7.388 -22.063 -1.801 1.00 0.00 O ATOM 0 H1 GLY A 1 6.199 -25.903 -2.737 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.727 -25.816 -1.108 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.203 -24.633 -2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.749 -24.917 -0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.844 -24.429 -2.514 1.00 0.00 H new ATOM 10 N SER A 2 5.951 -22.876 -0.293 1.00 0.00 N ATOM 11 CA SER A 2 5.539 -21.565 0.144 1.00 0.00 C ATOM 12 C SER A 2 5.873 -21.355 1.617 1.00 0.00 C ATOM 13 O SER A 2 6.820 -20.645 1.949 1.00 0.00 O ATOM 14 CB SER A 2 4.043 -21.374 -0.102 1.00 0.00 C ATOM 15 OG SER A 2 3.704 -21.716 -1.439 1.00 0.00 O ATOM 0 H SER A 2 5.498 -23.649 0.194 1.00 0.00 H new ATOM 0 HA SER A 2 6.086 -20.820 -0.434 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.474 -21.993 0.592 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.767 -20.338 0.094 1.00 0.00 H new ATOM 0 HG SER A 2 2.732 -21.665 -1.553 1.00 0.00 H new ATOM 21 N VAL A 3 5.132 -22.016 2.488 1.00 0.00 N ATOM 22 CA VAL A 3 5.314 -21.861 3.918 1.00 0.00 C ATOM 23 C VAL A 3 6.174 -23.001 4.480 1.00 0.00 C ATOM 24 O VAL A 3 6.522 -23.020 5.661 1.00 0.00 O ATOM 25 CB VAL A 3 3.944 -21.817 4.642 1.00 0.00 C ATOM 26 CG1 VAL A 3 3.250 -23.172 4.593 1.00 0.00 C ATOM 27 CG2 VAL A 3 4.095 -21.327 6.075 1.00 0.00 C ATOM 0 H VAL A 3 4.394 -22.669 2.226 1.00 0.00 H new ATOM 0 HA VAL A 3 5.830 -20.917 4.094 1.00 0.00 H new ATOM 0 HB VAL A 3 3.313 -21.103 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.292 -23.109 5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.085 -23.459 3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.876 -23.919 5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.118 -21.307 6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.756 -22.000 6.622 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.520 -20.323 6.073 1.00 0.00 H new ATOM 37 N GLU A 4 6.533 -23.933 3.616 1.00 0.00 N ATOM 38 CA GLU A 4 7.342 -25.079 4.015 1.00 0.00 C ATOM 39 C GLU A 4 8.829 -24.711 4.125 1.00 0.00 C ATOM 40 O GLU A 4 9.699 -25.581 4.070 1.00 0.00 O ATOM 41 CB GLU A 4 7.171 -26.231 3.021 1.00 0.00 C ATOM 42 CG GLU A 4 5.728 -26.549 2.676 1.00 0.00 C ATOM 43 CD GLU A 4 5.270 -25.847 1.421 1.00 0.00 C ATOM 44 OE1 GLU A 4 4.985 -24.637 1.473 1.00 0.00 O ATOM 45 OE2 GLU A 4 5.202 -26.499 0.363 1.00 0.00 O ATOM 0 H GLU A 4 6.278 -23.922 2.629 1.00 0.00 H new ATOM 0 HA GLU A 4 6.993 -25.394 4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.706 -25.986 2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.639 -27.125 3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.616 -27.626 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.086 -26.258 3.507 1.00 0.00 H new ATOM 52 N LYS A 5 9.111 -23.431 4.301 1.00 0.00 N ATOM 53 CA LYS A 5 10.485 -22.951 4.397 1.00 0.00 C ATOM 54 C LYS A 5 10.901 -22.794 5.858 1.00 0.00 C ATOM 55 O LYS A 5 11.699 -21.910 6.186 1.00 0.00 O ATOM 56 CB LYS A 5 10.631 -21.603 3.681 1.00 0.00 C ATOM 57 CG LYS A 5 10.161 -21.609 2.237 1.00 0.00 C ATOM 58 CD LYS A 5 10.644 -20.372 1.498 1.00 0.00 C ATOM 59 CE LYS A 5 10.078 -20.304 0.088 1.00 0.00 C ATOM 60 NZ LYS A 5 8.667 -19.857 0.085 1.00 0.00 N ATOM 0 H LYS A 5 8.404 -22.700 4.381 1.00 0.00 H new ATOM 0 HA LYS A 5 11.132 -23.687 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.067 -20.850 4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.678 -21.301 3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.530 -22.503 1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.072 -21.653 2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.351 -19.480 2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.733 -20.376 1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.678 -19.620 -0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.150 -21.286 -0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.162 -20.306 -0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.215 -20.127 0.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.631 -18.823 -0.024 1.00 0.00 H new ATOM 74 N LEU A 6 10.361 -23.663 6.730 1.00 0.00 N ATOM 75 CA LEU A 6 10.628 -23.608 8.166 1.00 0.00 C ATOM 76 C LEU A 6 10.000 -22.334 8.736 1.00 0.00 C ATOM 77 O LEU A 6 10.502 -21.730 9.685 1.00 0.00 O ATOM 78 CB LEU A 6 12.149 -23.659 8.439 1.00 0.00 C ATOM 79 CG LEU A 6 12.576 -23.791 9.906 1.00 0.00 C ATOM 80 CD1 LEU A 6 11.997 -25.052 10.522 1.00 0.00 C ATOM 81 CD2 LEU A 6 14.091 -23.790 10.017 1.00 0.00 C ATOM 0 H LEU A 6 9.731 -24.417 6.455 1.00 0.00 H new ATOM 0 HA LEU A 6 10.184 -24.473 8.658 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.567 -24.499 7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 6 12.599 -22.753 8.033 1.00 0.00 H new ATOM 0 HG LEU A 6 12.187 -22.934 10.456 1.00 0.00 H new ATOM 0 HD11 LEU A 6 12.312 -25.126 11.563 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.909 -25.014 10.474 1.00 0.00 H new ATOM 0 HD13 LEU A 6 12.354 -25.923 9.972 1.00 0.00 H new ATOM 0 HD21 LEU A 6 14.379 -23.884 11.064 1.00 0.00 H new ATOM 0 HD22 LEU A 6 14.498 -24.628 9.452 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.485 -22.856 9.615 1.00 0.00 H new ATOM 93 N THR A 7 8.876 -21.944 8.146 1.00 0.00 N ATOM 94 CA THR A 7 8.177 -20.745 8.532 1.00 0.00 C ATOM 95 C THR A 7 6.808 -21.083 9.150 1.00 0.00 C ATOM 96 O THR A 7 5.799 -20.463 8.817 1.00 0.00 O ATOM 97 CB THR A 7 7.981 -19.838 7.302 1.00 0.00 C ATOM 98 OG1 THR A 7 7.520 -20.613 6.190 1.00 0.00 O ATOM 99 CG2 THR A 7 9.288 -19.163 6.934 1.00 0.00 C ATOM 0 H THR A 7 8.431 -22.458 7.386 1.00 0.00 H new ATOM 0 HA THR A 7 8.775 -20.224 9.280 1.00 0.00 H new ATOM 0 HB THR A 7 7.240 -19.077 7.548 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.057 -21.412 6.518 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.136 -18.525 6.063 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.633 -18.557 7.772 1.00 0.00 H new ATOM 0 HG23 THR A 7 10.036 -19.921 6.702 1.00 0.00 H new ATOM 107 N ALA A 8 6.790 -22.062 10.073 1.00 0.00 N ATOM 108 CA ALA A 8 5.540 -22.511 10.728 1.00 0.00 C ATOM 109 C ALA A 8 4.822 -21.362 11.443 1.00 0.00 C ATOM 110 O ALA A 8 3.617 -21.420 11.677 1.00 0.00 O ATOM 111 CB ALA A 8 5.812 -23.654 11.708 1.00 0.00 C ATOM 0 H ALA A 8 7.624 -22.559 10.384 1.00 0.00 H new ATOM 0 HA ALA A 8 4.883 -22.875 9.938 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.877 -23.964 12.174 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.247 -24.497 11.172 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.507 -23.316 12.477 1.00 0.00 H new ATOM 117 N ASP A 9 5.567 -20.309 11.762 1.00 0.00 N ATOM 118 CA ASP A 9 5.007 -19.126 12.422 1.00 0.00 C ATOM 119 C ASP A 9 3.961 -18.468 11.531 1.00 0.00 C ATOM 120 O ASP A 9 3.019 -17.841 12.009 1.00 0.00 O ATOM 121 CB ASP A 9 6.108 -18.105 12.740 1.00 0.00 C ATOM 122 CG ASP A 9 7.109 -18.606 13.749 1.00 0.00 C ATOM 123 OD1 ASP A 9 7.040 -18.178 14.916 1.00 0.00 O ATOM 124 OD2 ASP A 9 7.966 -19.434 13.381 1.00 0.00 O ATOM 0 H ASP A 9 6.568 -20.247 11.574 1.00 0.00 H new ATOM 0 HA ASP A 9 4.543 -19.452 13.353 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.630 -17.844 11.819 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.649 -17.191 13.116 1.00 0.00 H new ATOM 129 N ALA A 10 4.142 -18.618 10.233 1.00 0.00 N ATOM 130 CA ALA A 10 3.218 -18.038 9.254 1.00 0.00 C ATOM 131 C ALA A 10 1.913 -18.813 9.224 1.00 0.00 C ATOM 132 O ALA A 10 0.842 -18.237 9.025 1.00 0.00 O ATOM 133 CB ALA A 10 3.845 -17.986 7.861 1.00 0.00 C ATOM 0 H ALA A 10 4.919 -19.136 9.823 1.00 0.00 H new ATOM 0 HA ALA A 10 3.006 -17.014 9.563 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.134 -17.551 7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.747 -17.375 7.891 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.101 -18.995 7.539 1.00 0.00 H new ATOM 139 N GLU A 11 2.005 -20.115 9.462 1.00 0.00 N ATOM 140 CA GLU A 11 0.824 -20.979 9.489 1.00 0.00 C ATOM 141 C GLU A 11 -0.042 -20.602 10.677 1.00 0.00 C ATOM 142 O GLU A 11 -1.272 -20.709 10.639 1.00 0.00 O ATOM 143 CB GLU A 11 1.223 -22.463 9.585 1.00 0.00 C ATOM 144 CG GLU A 11 2.034 -22.975 8.401 1.00 0.00 C ATOM 145 CD GLU A 11 2.328 -24.452 8.491 1.00 0.00 C ATOM 146 OE1 GLU A 11 1.714 -25.235 7.728 1.00 0.00 O ATOM 147 OE2 GLU A 11 3.179 -24.844 9.312 1.00 0.00 O ATOM 0 H GLU A 11 2.885 -20.600 9.640 1.00 0.00 H new ATOM 0 HA GLU A 11 0.268 -20.839 8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.800 -22.613 10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.319 -23.064 9.678 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.490 -22.773 7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.973 -22.425 8.344 1.00 0.00 H new ATOM 154 N LEU A 12 0.620 -20.137 11.720 1.00 0.00 N ATOM 155 CA LEU A 12 -0.044 -19.706 12.940 1.00 0.00 C ATOM 156 C LEU A 12 -0.890 -18.476 12.649 1.00 0.00 C ATOM 157 O LEU A 12 -2.044 -18.378 13.067 1.00 0.00 O ATOM 158 CB LEU A 12 0.988 -19.365 14.039 1.00 0.00 C ATOM 159 CG LEU A 12 2.122 -20.382 14.279 1.00 0.00 C ATOM 160 CD1 LEU A 12 2.904 -20.025 15.523 1.00 0.00 C ATOM 161 CD2 LEU A 12 1.588 -21.799 14.359 1.00 0.00 C ATOM 0 H LEU A 12 1.636 -20.047 11.747 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.675 -20.521 13.295 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.441 -18.405 13.791 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.450 -19.230 14.978 1.00 0.00 H new ATOM 0 HG LEU A 12 2.798 -20.336 13.425 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.699 -20.755 15.675 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.339 -19.033 15.407 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.238 -20.030 16.386 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.414 -22.490 14.529 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.877 -21.874 15.182 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.089 -22.053 13.424 1.00 0.00 H new ATOM 173 N GLN A 13 -0.312 -17.554 11.891 1.00 0.00 N ATOM 174 CA GLN A 13 -0.987 -16.315 11.552 1.00 0.00 C ATOM 175 C GLN A 13 -2.039 -16.546 10.476 1.00 0.00 C ATOM 176 O GLN A 13 -2.915 -15.708 10.260 1.00 0.00 O ATOM 177 CB GLN A 13 0.019 -15.254 11.114 1.00 0.00 C ATOM 178 CG GLN A 13 1.101 -14.998 12.149 1.00 0.00 C ATOM 179 CD GLN A 13 1.913 -13.759 11.861 1.00 0.00 C ATOM 180 OE1 GLN A 13 1.575 -12.672 12.312 1.00 0.00 O ATOM 181 NE2 GLN A 13 2.987 -13.915 11.117 1.00 0.00 N ATOM 0 H GLN A 13 0.626 -17.644 11.500 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.496 -15.951 12.444 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.485 -15.567 10.179 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.509 -14.322 10.911 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.640 -14.903 13.132 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.767 -15.860 12.191 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.232 -14.839 10.762 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.575 -13.112 10.895 1.00 0.00 H new ATOM 190 N ARG A 14 -1.939 -17.683 9.799 1.00 0.00 N ATOM 191 CA ARG A 14 -2.930 -18.073 8.796 1.00 0.00 C ATOM 192 C ARG A 14 -4.223 -18.468 9.494 1.00 0.00 C ATOM 193 O ARG A 14 -5.309 -18.040 9.111 1.00 0.00 O ATOM 194 CB ARG A 14 -2.425 -19.259 7.950 1.00 0.00 C ATOM 195 CG ARG A 14 -3.410 -19.722 6.883 1.00 0.00 C ATOM 196 CD ARG A 14 -3.150 -21.166 6.483 1.00 0.00 C ATOM 197 NE ARG A 14 -1.758 -21.388 6.090 1.00 0.00 N ATOM 198 CZ ARG A 14 -1.117 -22.554 6.189 1.00 0.00 C ATOM 199 NH1 ARG A 14 -1.746 -23.634 6.637 1.00 0.00 N ATOM 200 NH2 ARG A 14 0.157 -22.632 5.849 1.00 0.00 N ATOM 0 H ARG A 14 -1.181 -18.354 9.924 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.103 -17.225 8.133 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.489 -18.976 7.468 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.202 -20.096 8.612 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.429 -19.624 7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.329 -19.079 6.007 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.400 -21.823 7.316 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.807 -21.436 5.656 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.240 -20.594 5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.727 -23.577 6.909 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.248 -24.521 6.709 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.647 -21.803 5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.651 -23.521 5.923 1.00 0.00 H new ATOM 214 N LEU A 15 -4.083 -19.265 10.546 1.00 0.00 N ATOM 215 CA LEU A 15 -5.224 -19.739 11.312 1.00 0.00 C ATOM 216 C LEU A 15 -5.794 -18.612 12.166 1.00 0.00 C ATOM 217 O LEU A 15 -6.997 -18.551 12.413 1.00 0.00 O ATOM 218 CB LEU A 15 -4.809 -20.921 12.196 1.00 0.00 C ATOM 219 CG LEU A 15 -5.934 -21.588 12.989 1.00 0.00 C ATOM 220 CD1 LEU A 15 -6.977 -22.178 12.053 1.00 0.00 C ATOM 221 CD2 LEU A 15 -5.371 -22.661 13.906 1.00 0.00 C ATOM 0 H LEU A 15 -3.182 -19.598 10.889 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.997 -20.073 10.620 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.339 -21.675 11.564 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.050 -20.576 12.898 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.419 -20.828 13.602 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.768 -22.647 12.639 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.403 -21.386 11.437 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.509 -22.925 11.411 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.184 -23.126 14.464 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.860 -23.417 13.310 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.665 -22.210 14.603 1.00 0.00 H new ATOM 233 N LYS A 16 -4.916 -17.727 12.610 1.00 0.00 N ATOM 234 CA LYS A 16 -5.320 -16.568 13.409 1.00 0.00 C ATOM 235 C LYS A 16 -5.946 -15.503 12.498 1.00 0.00 C ATOM 236 O LYS A 16 -6.701 -14.642 12.953 1.00 0.00 O ATOM 237 CB LYS A 16 -4.105 -16.003 14.169 1.00 0.00 C ATOM 238 CG LYS A 16 -4.431 -14.921 15.184 1.00 0.00 C ATOM 239 CD LYS A 16 -3.221 -14.630 16.057 1.00 0.00 C ATOM 240 CE LYS A 16 -3.488 -13.517 17.053 1.00 0.00 C ATOM 241 NZ LYS A 16 -3.672 -12.212 16.383 1.00 0.00 N ATOM 0 H LYS A 16 -3.913 -17.785 12.433 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.066 -16.874 14.142 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.603 -16.823 14.683 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.397 -15.600 13.445 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.742 -14.012 14.669 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.268 -15.238 15.806 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.936 -15.535 16.594 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.377 -14.355 15.425 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.379 -13.756 17.634 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.657 -13.451 17.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.969 -11.502 17.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.775 -11.916 15.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.402 -12.299 15.647 1.00 0.00 H new ATOM 255 N ASN A 17 -5.608 -15.602 11.200 1.00 0.00 N ATOM 256 CA ASN A 17 -6.123 -14.731 10.116 1.00 0.00 C ATOM 257 C ASN A 17 -6.246 -13.252 10.503 1.00 0.00 C ATOM 258 O ASN A 17 -7.181 -12.575 10.081 1.00 0.00 O ATOM 259 CB ASN A 17 -7.468 -15.263 9.554 1.00 0.00 C ATOM 260 CG ASN A 17 -8.602 -15.312 10.571 1.00 0.00 C ATOM 261 OD1 ASN A 17 -8.812 -16.325 11.240 1.00 0.00 O ATOM 262 ND2 ASN A 17 -9.345 -14.227 10.685 1.00 0.00 N ATOM 0 H ASN A 17 -4.952 -16.307 10.862 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.367 -14.774 9.332 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.773 -14.633 8.719 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.310 -16.265 9.156 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.123 -14.209 11.344 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.141 -13.407 10.114 1.00 0.00 H new ATOM 269 N GLU A 18 -5.282 -12.736 11.260 1.00 0.00 N ATOM 270 CA GLU A 18 -5.335 -11.340 11.663 1.00 0.00 C ATOM 271 C GLU A 18 -5.130 -10.409 10.461 1.00 0.00 C ATOM 272 O GLU A 18 -6.046 -9.686 10.072 1.00 0.00 O ATOM 273 CB GLU A 18 -4.351 -11.039 12.808 1.00 0.00 C ATOM 274 CG GLU A 18 -2.903 -11.427 12.547 1.00 0.00 C ATOM 275 CD GLU A 18 -2.042 -11.199 13.760 1.00 0.00 C ATOM 276 OE1 GLU A 18 -1.644 -10.048 14.000 1.00 0.00 O ATOM 277 OE2 GLU A 18 -1.785 -12.166 14.495 1.00 0.00 O ATOM 0 H GLU A 18 -4.471 -13.253 11.600 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.334 -11.145 12.054 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.389 -9.972 13.025 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.692 -11.559 13.703 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.853 -12.476 12.257 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.515 -10.846 11.710 1.00 0.00 H new ATOM 284 N ARG A 19 -3.938 -10.420 9.880 1.00 0.00 N ATOM 285 CA ARG A 19 -3.667 -9.627 8.686 1.00 0.00 C ATOM 286 C ARG A 19 -3.490 -10.533 7.480 1.00 0.00 C ATOM 287 O ARG A 19 -3.215 -10.060 6.384 1.00 0.00 O ATOM 288 CB ARG A 19 -2.382 -8.806 8.862 1.00 0.00 C ATOM 289 CG ARG A 19 -2.427 -7.777 9.971 1.00 0.00 C ATOM 290 CD ARG A 19 -1.088 -7.064 10.094 1.00 0.00 C ATOM 291 NE ARG A 19 -1.128 -5.980 11.067 1.00 0.00 N ATOM 292 CZ ARG A 19 -0.109 -5.157 11.321 1.00 0.00 C ATOM 293 NH1 ARG A 19 1.058 -5.313 10.698 1.00 0.00 N ATOM 294 NH2 ARG A 19 -0.253 -4.181 12.205 1.00 0.00 N ATOM 0 H ARG A 19 -3.145 -10.967 10.214 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.514 -8.959 8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.555 -9.490 9.055 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.162 -8.297 7.923 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.215 -7.051 9.769 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.675 -8.262 10.915 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.321 -7.782 10.384 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.800 -6.666 9.121 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.993 -5.841 11.589 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.178 -6.066 10.021 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.832 -4.679 10.898 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.142 -4.060 12.690 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.525 -3.551 12.400 1.00 0.00 H new ATOM 308 N HIS A 20 -3.676 -11.844 7.688 1.00 0.00 N ATOM 309 CA HIS A 20 -3.397 -12.836 6.639 1.00 0.00 C ATOM 310 C HIS A 20 -1.967 -12.663 6.151 1.00 0.00 C ATOM 311 O HIS A 20 -1.691 -12.700 4.953 1.00 0.00 O ATOM 312 CB HIS A 20 -4.384 -12.720 5.463 1.00 0.00 C ATOM 313 CG HIS A 20 -5.703 -13.382 5.708 1.00 0.00 C ATOM 314 ND1 HIS A 20 -5.827 -14.728 5.975 1.00 0.00 N ATOM 315 CD2 HIS A 20 -6.959 -12.885 5.716 1.00 0.00 C ATOM 316 CE1 HIS A 20 -7.101 -15.027 6.133 1.00 0.00 C ATOM 317 NE2 HIS A 20 -7.807 -13.929 5.983 1.00 0.00 N ATOM 0 H HIS A 20 -4.015 -12.240 8.565 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.523 -13.831 7.067 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -4.553 -11.665 5.247 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.928 -13.158 4.575 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.242 -11.857 5.544 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -7.497 -16.008 6.349 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.822 -13.864 6.054 1.00 0.00 H new ATOM 325 N GLU A 21 -1.062 -12.493 7.117 1.00 0.00 N ATOM 326 CA GLU A 21 0.363 -12.230 6.854 1.00 0.00 C ATOM 327 C GLU A 21 0.973 -13.255 5.893 1.00 0.00 C ATOM 328 O GLU A 21 1.862 -12.928 5.123 1.00 0.00 O ATOM 329 CB GLU A 21 1.163 -12.194 8.172 1.00 0.00 C ATOM 330 CG GLU A 21 2.598 -11.710 8.020 1.00 0.00 C ATOM 331 CD GLU A 21 2.681 -10.306 7.454 1.00 0.00 C ATOM 332 OE1 GLU A 21 1.997 -9.404 7.981 1.00 0.00 O ATOM 333 OE2 GLU A 21 3.440 -10.092 6.490 1.00 0.00 O ATOM 0 H GLU A 21 -1.293 -12.533 8.110 1.00 0.00 H new ATOM 0 HA GLU A 21 0.423 -11.254 6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.646 -11.546 8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.173 -13.194 8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.092 -11.736 8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.141 -12.394 7.368 1.00 0.00 H new ATOM 340 N GLU A 22 0.467 -14.483 5.921 1.00 0.00 N ATOM 341 CA GLU A 22 0.998 -15.528 5.048 1.00 0.00 C ATOM 342 C GLU A 22 0.690 -15.214 3.581 1.00 0.00 C ATOM 343 O GLU A 22 1.512 -15.456 2.702 1.00 0.00 O ATOM 344 CB GLU A 22 0.452 -16.912 5.420 1.00 0.00 C ATOM 345 CG GLU A 22 1.094 -18.040 4.630 1.00 0.00 C ATOM 346 CD GLU A 22 0.490 -19.382 4.935 1.00 0.00 C ATOM 347 OE1 GLU A 22 1.037 -20.109 5.768 1.00 0.00 O ATOM 348 OE2 GLU A 22 -0.547 -19.721 4.332 1.00 0.00 O ATOM 0 H GLU A 22 -0.298 -14.778 6.528 1.00 0.00 H new ATOM 0 HA GLU A 22 2.079 -15.549 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.613 -17.085 6.484 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.625 -16.927 5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.992 -17.835 3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.161 -18.069 4.849 1.00 0.00 H new ATOM 355 N ALA A 23 -0.488 -14.653 3.327 1.00 0.00 N ATOM 356 CA ALA A 23 -0.885 -14.302 1.963 1.00 0.00 C ATOM 357 C ALA A 23 -0.050 -13.140 1.446 1.00 0.00 C ATOM 358 O ALA A 23 0.406 -13.150 0.305 1.00 0.00 O ATOM 359 CB ALA A 23 -2.378 -13.965 1.885 1.00 0.00 C ATOM 0 H ALA A 23 -1.182 -14.432 4.041 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.705 -15.171 1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.640 -13.709 0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.963 -14.828 2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.594 -13.119 2.537 1.00 0.00 H new ATOM 365 N GLU A 24 0.158 -12.139 2.293 1.00 0.00 N ATOM 366 CA GLU A 24 0.973 -10.990 1.918 1.00 0.00 C ATOM 367 C GLU A 24 2.438 -11.391 1.805 1.00 0.00 C ATOM 368 O GLU A 24 3.197 -10.800 1.047 1.00 0.00 O ATOM 369 CB GLU A 24 0.792 -9.837 2.907 1.00 0.00 C ATOM 370 CG GLU A 24 -0.640 -9.327 2.983 1.00 0.00 C ATOM 371 CD GLU A 24 -0.771 -8.064 3.803 1.00 0.00 C ATOM 372 OE1 GLU A 24 -0.788 -6.965 3.211 1.00 0.00 O ATOM 373 OE2 GLU A 24 -0.869 -8.161 5.037 1.00 0.00 O ATOM 0 H GLU A 24 -0.224 -12.099 3.238 1.00 0.00 H new ATOM 0 HA GLU A 24 0.638 -10.640 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.106 -10.165 3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.448 -9.015 2.620 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.008 -9.139 1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.274 -10.102 3.414 1.00 0.00 H new ATOM 380 N LEU A 25 2.820 -12.406 2.562 1.00 0.00 N ATOM 381 CA LEU A 25 4.167 -12.942 2.501 1.00 0.00 C ATOM 382 C LEU A 25 4.358 -13.693 1.187 1.00 0.00 C ATOM 383 O LEU A 25 5.371 -13.542 0.520 1.00 0.00 O ATOM 384 CB LEU A 25 4.417 -13.876 3.686 1.00 0.00 C ATOM 385 CG LEU A 25 5.812 -14.488 3.783 1.00 0.00 C ATOM 386 CD1 LEU A 25 6.866 -13.401 3.949 1.00 0.00 C ATOM 387 CD2 LEU A 25 5.870 -15.478 4.934 1.00 0.00 C ATOM 0 H LEU A 25 2.210 -12.877 3.230 1.00 0.00 H new ATOM 0 HA LEU A 25 4.883 -12.121 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.222 -13.323 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.690 -14.687 3.642 1.00 0.00 H new ATOM 0 HG LEU A 25 6.024 -15.022 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.853 -13.859 4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.835 -12.730 3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.665 -12.836 4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.870 -15.908 4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.640 -14.965 5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.142 -16.272 4.768 1.00 0.00 H new ATOM 399 N GLU A 26 3.348 -14.485 0.818 1.00 0.00 N ATOM 400 CA GLU A 26 3.358 -15.252 -0.431 1.00 0.00 C ATOM 401 C GLU A 26 3.516 -14.324 -1.646 1.00 0.00 C ATOM 402 O GLU A 26 3.934 -14.755 -2.726 1.00 0.00 O ATOM 403 CB GLU A 26 2.075 -16.071 -0.554 1.00 0.00 C ATOM 404 CG GLU A 26 2.066 -17.030 -1.727 1.00 0.00 C ATOM 405 CD GLU A 26 0.739 -17.718 -1.894 1.00 0.00 C ATOM 406 OE1 GLU A 26 -0.171 -17.117 -2.493 1.00 0.00 O ATOM 407 OE2 GLU A 26 0.596 -18.865 -1.432 1.00 0.00 O ATOM 0 H GLU A 26 2.503 -14.613 1.374 1.00 0.00 H new ATOM 0 HA GLU A 26 4.212 -15.930 -0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.928 -16.637 0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.229 -15.390 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.308 -16.486 -2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.846 -17.779 -1.587 1.00 0.00 H new ATOM 414 N ARG A 27 3.166 -13.055 -1.461 1.00 0.00 N ATOM 415 CA ARG A 27 3.350 -12.044 -2.508 1.00 0.00 C ATOM 416 C ARG A 27 4.828 -11.975 -2.900 1.00 0.00 C ATOM 417 O ARG A 27 5.173 -11.719 -4.058 1.00 0.00 O ATOM 418 CB ARG A 27 2.866 -10.666 -2.026 1.00 0.00 C ATOM 419 CG ARG A 27 3.006 -9.561 -3.055 1.00 0.00 C ATOM 420 CD ARG A 27 2.638 -8.215 -2.458 1.00 0.00 C ATOM 421 NE ARG A 27 2.742 -7.134 -3.436 1.00 0.00 N ATOM 422 CZ ARG A 27 2.925 -5.852 -3.123 1.00 0.00 C ATOM 423 NH1 ARG A 27 3.054 -5.480 -1.852 1.00 0.00 N ATOM 424 NH2 ARG A 27 2.983 -4.941 -4.087 1.00 0.00 N ATOM 0 H ARG A 27 2.754 -12.698 -0.599 1.00 0.00 H new ATOM 0 HA ARG A 27 2.757 -12.328 -3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.819 -10.744 -1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.427 -10.389 -1.133 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.031 -9.531 -3.425 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.364 -9.772 -3.910 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.620 -8.257 -2.071 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.292 -8.003 -1.612 1.00 0.00 H new ATOM 0 HE ARG A 27 2.670 -7.377 -4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.013 -6.178 -1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.194 -4.497 -1.620 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.888 -5.224 -5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.123 -3.958 -3.852 1.00 0.00 H new ATOM 438 N LEU A 28 5.689 -12.240 -1.929 1.00 0.00 N ATOM 439 CA LEU A 28 7.129 -12.233 -2.156 1.00 0.00 C ATOM 440 C LEU A 28 7.518 -13.460 -2.964 1.00 0.00 C ATOM 441 O LEU A 28 8.370 -13.388 -3.845 1.00 0.00 O ATOM 442 CB LEU A 28 7.933 -12.197 -0.834 1.00 0.00 C ATOM 443 CG LEU A 28 8.002 -10.851 -0.074 1.00 0.00 C ATOM 444 CD1 LEU A 28 6.632 -10.386 0.404 1.00 0.00 C ATOM 445 CD2 LEU A 28 8.956 -10.968 1.103 1.00 0.00 C ATOM 0 H LEU A 28 5.415 -12.464 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 28 7.374 -11.325 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.507 -12.941 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.953 -12.512 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 28 8.372 -10.100 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.733 -9.438 0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.972 -10.256 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.209 -11.132 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.999 -10.016 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.604 -11.745 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.951 -11.227 0.741 1.00 0.00 H new ATOM 457 N LYS A 29 6.880 -14.586 -2.646 1.00 0.00 N ATOM 458 CA LYS A 29 7.090 -15.847 -3.373 1.00 0.00 C ATOM 459 C LYS A 29 6.858 -15.659 -4.868 1.00 0.00 C ATOM 460 O LYS A 29 7.666 -16.097 -5.694 1.00 0.00 O ATOM 461 CB LYS A 29 6.148 -16.948 -2.852 1.00 0.00 C ATOM 462 CG LYS A 29 6.198 -18.225 -3.671 1.00 0.00 C ATOM 463 CD LYS A 29 5.020 -19.130 -3.372 1.00 0.00 C ATOM 464 CE LYS A 29 5.014 -20.332 -4.297 1.00 0.00 C ATOM 465 NZ LYS A 29 3.814 -21.175 -4.108 1.00 0.00 N ATOM 0 H LYS A 29 6.206 -14.655 -1.883 1.00 0.00 H new ATOM 0 HA LYS A 29 8.123 -16.150 -3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.407 -17.178 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.126 -16.569 -2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.206 -17.976 -4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.127 -18.756 -3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.066 -19.464 -2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.090 -18.573 -3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.058 -19.992 -5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.908 -20.930 -4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.964 -22.099 -4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.642 -21.311 -3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.990 -20.708 -4.539 1.00 0.00 H new ATOM 479 N SER A 30 5.748 -15.015 -5.211 1.00 0.00 N ATOM 480 CA SER A 30 5.409 -14.772 -6.602 1.00 0.00 C ATOM 481 C SER A 30 6.416 -13.829 -7.261 1.00 0.00 C ATOM 482 O SER A 30 6.617 -13.866 -8.475 1.00 0.00 O ATOM 483 CB SER A 30 3.980 -14.230 -6.718 1.00 0.00 C ATOM 484 OG SER A 30 3.696 -13.286 -5.696 1.00 0.00 O ATOM 0 H SER A 30 5.069 -14.653 -4.542 1.00 0.00 H new ATOM 0 HA SER A 30 5.457 -15.721 -7.135 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.845 -13.763 -7.694 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.271 -15.056 -6.659 1.00 0.00 H new ATOM 0 HG SER A 30 4.531 -12.872 -5.392 1.00 0.00 H new ATOM 490 N GLU A 31 7.051 -12.996 -6.453 1.00 0.00 N ATOM 491 CA GLU A 31 8.058 -12.079 -6.948 1.00 0.00 C ATOM 492 C GLU A 31 9.388 -12.796 -7.131 1.00 0.00 C ATOM 493 O GLU A 31 9.873 -12.954 -8.253 1.00 0.00 O ATOM 494 CB GLU A 31 8.224 -10.901 -5.987 1.00 0.00 C ATOM 495 CG GLU A 31 7.011 -9.996 -5.916 1.00 0.00 C ATOM 496 CD GLU A 31 6.797 -9.215 -7.188 1.00 0.00 C ATOM 497 OE1 GLU A 31 7.023 -7.985 -7.179 1.00 0.00 O ATOM 498 OE2 GLU A 31 6.413 -9.822 -8.212 1.00 0.00 O ATOM 0 H GLU A 31 6.884 -12.938 -5.448 1.00 0.00 H new ATOM 0 HA GLU A 31 7.731 -11.699 -7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.438 -11.285 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.088 -10.312 -6.294 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.125 -10.597 -5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.127 -9.303 -5.083 1.00 0.00 H new ATOM 505 N ARG A 32 9.953 -13.256 -6.028 1.00 0.00 N ATOM 506 CA ARG A 32 11.237 -13.924 -6.035 1.00 0.00 C ATOM 507 C ARG A 32 11.424 -14.684 -4.719 1.00 0.00 C ATOM 508 O ARG A 32 11.378 -14.086 -3.642 1.00 0.00 O ATOM 509 CB ARG A 32 12.348 -12.886 -6.225 1.00 0.00 C ATOM 510 CG ARG A 32 13.744 -13.461 -6.344 1.00 0.00 C ATOM 511 CD ARG A 32 14.755 -12.364 -6.639 1.00 0.00 C ATOM 512 NE ARG A 32 14.549 -11.763 -7.965 1.00 0.00 N ATOM 513 CZ ARG A 32 14.603 -10.448 -8.231 1.00 0.00 C ATOM 514 NH1 ARG A 32 14.817 -9.572 -7.258 1.00 0.00 N ATOM 515 NH2 ARG A 32 14.438 -10.013 -9.475 1.00 0.00 N ATOM 0 H ARG A 32 9.531 -13.175 -5.103 1.00 0.00 H new ATOM 0 HA ARG A 32 11.281 -14.638 -6.857 1.00 0.00 H new ATOM 0 HB2 ARG A 32 12.133 -12.305 -7.121 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.326 -12.194 -5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 32 14.013 -13.970 -5.419 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.768 -14.208 -7.138 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.682 -11.590 -5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.763 -12.775 -6.581 1.00 0.00 H new ATOM 0 HE ARG A 32 14.350 -12.393 -8.742 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.942 -9.896 -6.299 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.857 -8.575 -7.469 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.270 -10.678 -10.230 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.479 -9.014 -9.676 1.00 0.00 H new ATOM 529 N HIS A 33 11.649 -15.995 -4.814 1.00 0.00 N ATOM 530 CA HIS A 33 11.780 -16.858 -3.626 1.00 0.00 C ATOM 531 C HIS A 33 12.923 -16.411 -2.728 1.00 0.00 C ATOM 532 O HIS A 33 12.859 -16.566 -1.508 1.00 0.00 O ATOM 533 CB HIS A 33 11.970 -18.330 -4.014 1.00 0.00 C ATOM 534 CG HIS A 33 10.775 -18.955 -4.665 1.00 0.00 C ATOM 535 ND1 HIS A 33 9.844 -19.706 -3.975 1.00 0.00 N ATOM 536 CD2 HIS A 33 10.367 -18.952 -5.952 1.00 0.00 C ATOM 537 CE1 HIS A 33 8.921 -20.135 -4.814 1.00 0.00 C ATOM 538 NE2 HIS A 33 9.215 -19.692 -6.017 1.00 0.00 N ATOM 0 H HIS A 33 11.745 -16.489 -5.701 1.00 0.00 H new ATOM 0 HA HIS A 33 10.847 -16.763 -3.071 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.820 -18.408 -4.691 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.221 -18.900 -3.119 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.858 -18.458 -6.778 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.069 -20.746 -4.557 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.673 -19.870 -6.862 1.00 0.00 H new ATOM 546 N ASP A 34 13.970 -15.857 -3.335 1.00 0.00 N ATOM 547 CA ASP A 34 15.117 -15.349 -2.580 1.00 0.00 C ATOM 548 C ASP A 34 14.672 -14.297 -1.580 1.00 0.00 C ATOM 549 O ASP A 34 15.061 -14.328 -0.413 1.00 0.00 O ATOM 550 CB ASP A 34 16.172 -14.750 -3.516 1.00 0.00 C ATOM 551 CG ASP A 34 16.820 -15.774 -4.408 1.00 0.00 C ATOM 552 OD1 ASP A 34 17.988 -16.124 -4.158 1.00 0.00 O ATOM 553 OD2 ASP A 34 16.169 -16.225 -5.368 1.00 0.00 O ATOM 0 H ASP A 34 14.050 -15.748 -4.346 1.00 0.00 H new ATOM 0 HA ASP A 34 15.560 -16.190 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.707 -13.982 -4.133 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.940 -14.258 -2.920 1.00 0.00 H new ATOM 558 N HIS A 35 13.849 -13.369 -2.050 1.00 0.00 N ATOM 559 CA HIS A 35 13.316 -12.302 -1.204 1.00 0.00 C ATOM 560 C HIS A 35 12.272 -12.868 -0.252 1.00 0.00 C ATOM 561 O HIS A 35 12.217 -12.491 0.922 1.00 0.00 O ATOM 562 CB HIS A 35 12.707 -11.172 -2.071 1.00 0.00 C ATOM 563 CG HIS A 35 12.084 -10.043 -1.291 1.00 0.00 C ATOM 564 ND1 HIS A 35 11.006 -9.324 -1.756 1.00 0.00 N ATOM 565 CD2 HIS A 35 12.394 -9.509 -0.084 1.00 0.00 C ATOM 566 CE1 HIS A 35 10.679 -8.400 -0.870 1.00 0.00 C ATOM 567 NE2 HIS A 35 11.504 -8.493 0.155 1.00 0.00 N ATOM 0 H HIS A 35 13.533 -13.331 -3.019 1.00 0.00 H new ATOM 0 HA HIS A 35 14.132 -11.877 -0.619 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.488 -10.764 -2.712 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.950 -11.604 -2.726 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.194 -9.825 0.569 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.872 -7.689 -0.968 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.483 -7.906 0.989 1.00 0.00 H new ATOM 575 N ASP A 36 11.463 -13.782 -0.769 1.00 0.00 N ATOM 576 CA ASP A 36 10.399 -14.429 0.013 1.00 0.00 C ATOM 577 C ASP A 36 10.948 -15.077 1.275 1.00 0.00 C ATOM 578 O ASP A 36 10.561 -14.710 2.381 1.00 0.00 O ATOM 579 CB ASP A 36 9.645 -15.473 -0.841 1.00 0.00 C ATOM 580 CG ASP A 36 8.631 -16.275 -0.046 1.00 0.00 C ATOM 581 OD1 ASP A 36 7.466 -15.861 0.020 1.00 0.00 O ATOM 582 OD2 ASP A 36 9.002 -17.344 0.481 1.00 0.00 O ATOM 0 H ASP A 36 11.518 -14.100 -1.737 1.00 0.00 H new ATOM 0 HA ASP A 36 9.697 -13.651 0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.135 -14.964 -1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.367 -16.155 -1.290 1.00 0.00 H new ATOM 587 N LYS A 37 11.891 -15.998 1.110 1.00 0.00 N ATOM 588 CA LYS A 37 12.440 -16.727 2.253 1.00 0.00 C ATOM 589 C LYS A 37 13.260 -15.808 3.147 1.00 0.00 C ATOM 590 O LYS A 37 13.339 -16.014 4.362 1.00 0.00 O ATOM 591 CB LYS A 37 13.300 -17.919 1.800 1.00 0.00 C ATOM 592 CG LYS A 37 13.698 -18.842 2.945 1.00 0.00 C ATOM 593 CD LYS A 37 14.616 -19.964 2.487 1.00 0.00 C ATOM 594 CE LYS A 37 15.976 -19.437 2.063 1.00 0.00 C ATOM 595 NZ LYS A 37 16.910 -20.536 1.716 1.00 0.00 N ATOM 0 H LYS A 37 12.289 -16.257 0.207 1.00 0.00 H new ATOM 0 HA LYS A 37 11.595 -17.110 2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.750 -18.493 1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.201 -17.545 1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.197 -18.261 3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.801 -19.269 3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.741 -20.685 3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.155 -20.495 1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.858 -18.776 1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.402 -18.839 2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.827 -20.136 1.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.043 -21.153 2.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.516 -21.091 0.930 1.00 0.00 H new ATOM 609 N LYS A 38 13.863 -14.787 2.544 1.00 0.00 N ATOM 610 CA LYS A 38 14.705 -13.841 3.282 1.00 0.00 C ATOM 611 C LYS A 38 13.899 -13.148 4.378 1.00 0.00 C ATOM 612 O LYS A 38 14.345 -13.055 5.528 1.00 0.00 O ATOM 613 CB LYS A 38 15.339 -12.807 2.334 1.00 0.00 C ATOM 614 CG LYS A 38 16.430 -11.973 2.970 1.00 0.00 C ATOM 615 CD LYS A 38 17.046 -11.021 1.961 1.00 0.00 C ATOM 616 CE LYS A 38 18.259 -10.311 2.535 1.00 0.00 C ATOM 617 NZ LYS A 38 17.923 -9.538 3.752 1.00 0.00 N ATOM 0 H LYS A 38 13.786 -14.591 1.546 1.00 0.00 H new ATOM 0 HA LYS A 38 15.513 -14.403 3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.752 -13.327 1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.558 -12.143 1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.019 -11.407 3.806 1.00 0.00 H new ATOM 0 HG3 LYS A 38 17.202 -12.627 3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 38 17.336 -11.574 1.067 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.304 -10.285 1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 38 19.030 -11.044 2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.677 -9.641 1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.730 -8.937 4.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.092 -8.941 3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.711 -10.193 4.532 1.00 0.00 H new ATOM 631 N GLU A 39 12.715 -12.668 4.024 1.00 0.00 N ATOM 632 CA GLU A 39 11.847 -12.042 5.006 1.00 0.00 C ATOM 633 C GLU A 39 11.085 -13.082 5.809 1.00 0.00 C ATOM 634 O GLU A 39 11.062 -13.017 7.019 1.00 0.00 O ATOM 635 CB GLU A 39 10.859 -11.039 4.375 1.00 0.00 C ATOM 636 CG GLU A 39 11.476 -9.694 4.016 1.00 0.00 C ATOM 637 CD GLU A 39 10.429 -8.644 3.667 1.00 0.00 C ATOM 638 OE1 GLU A 39 10.495 -8.075 2.552 1.00 0.00 O ATOM 639 OE2 GLU A 39 9.535 -8.382 4.506 1.00 0.00 O ATOM 0 H GLU A 39 12.339 -12.700 3.076 1.00 0.00 H new ATOM 0 HA GLU A 39 12.501 -11.483 5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.434 -11.483 3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.034 -10.874 5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.076 -9.339 4.853 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.152 -9.823 3.171 1.00 0.00 H new ATOM 646 N ALA A 40 10.515 -14.064 5.118 1.00 0.00 N ATOM 647 CA ALA A 40 9.646 -15.090 5.744 1.00 0.00 C ATOM 648 C ALA A 40 10.211 -15.663 7.049 1.00 0.00 C ATOM 649 O ALA A 40 9.558 -15.590 8.098 1.00 0.00 O ATOM 650 CB ALA A 40 9.361 -16.231 4.765 1.00 0.00 C ATOM 0 H ALA A 40 10.633 -14.183 4.112 1.00 0.00 H new ATOM 0 HA ALA A 40 8.720 -14.574 5.998 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.722 -16.972 5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.858 -15.836 3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.300 -16.699 4.469 1.00 0.00 H new ATOM 656 N GLU A 41 11.418 -16.212 6.987 1.00 0.00 N ATOM 657 CA GLU A 41 12.026 -16.875 8.149 1.00 0.00 C ATOM 658 C GLU A 41 12.231 -15.933 9.337 1.00 0.00 C ATOM 659 O GLU A 41 11.991 -16.310 10.477 1.00 0.00 O ATOM 660 CB GLU A 41 13.354 -17.534 7.773 1.00 0.00 C ATOM 661 CG GLU A 41 13.224 -18.639 6.739 1.00 0.00 C ATOM 662 CD GLU A 41 14.493 -19.451 6.602 1.00 0.00 C ATOM 663 OE1 GLU A 41 15.378 -19.060 5.813 1.00 0.00 O ATOM 664 OE2 GLU A 41 14.616 -20.489 7.289 1.00 0.00 O ATOM 0 H GLU A 41 11.999 -16.215 6.149 1.00 0.00 H new ATOM 0 HA GLU A 41 11.317 -17.641 8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.031 -16.770 7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.812 -17.945 8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.402 -19.298 7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.969 -18.202 5.774 1.00 0.00 H new ATOM 671 N ARG A 42 12.653 -14.714 9.066 1.00 0.00 N ATOM 672 CA ARG A 42 12.960 -13.761 10.140 1.00 0.00 C ATOM 673 C ARG A 42 11.729 -12.956 10.565 1.00 0.00 C ATOM 674 O ARG A 42 11.526 -12.691 11.751 1.00 0.00 O ATOM 675 CB ARG A 42 14.086 -12.806 9.707 1.00 0.00 C ATOM 676 CG ARG A 42 14.492 -11.811 10.778 1.00 0.00 C ATOM 677 CD ARG A 42 15.577 -10.873 10.282 1.00 0.00 C ATOM 678 NE ARG A 42 16.828 -11.578 9.989 1.00 0.00 N ATOM 679 CZ ARG A 42 17.970 -10.968 9.676 1.00 0.00 C ATOM 680 NH1 ARG A 42 18.018 -9.642 9.596 1.00 0.00 N ATOM 681 NH2 ARG A 42 19.065 -11.682 9.444 1.00 0.00 N ATOM 0 H ARG A 42 12.794 -14.352 8.123 1.00 0.00 H new ATOM 0 HA ARG A 42 13.289 -14.343 11.001 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.958 -13.394 9.421 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.765 -12.260 8.820 1.00 0.00 H new ATOM 0 HG2 ARG A 42 13.622 -11.232 11.087 1.00 0.00 H new ATOM 0 HG3 ARG A 42 14.847 -12.347 11.658 1.00 0.00 H new ATOM 0 HD2 ARG A 42 15.231 -10.363 9.383 1.00 0.00 H new ATOM 0 HD3 ARG A 42 15.762 -10.105 11.033 1.00 0.00 H new ATOM 0 HE ARG A 42 16.824 -12.597 10.027 1.00 0.00 H new ATOM 0 HH11 ARG A 42 17.179 -9.090 9.774 1.00 0.00 H new ATOM 0 HH12 ARG A 42 18.894 -9.177 9.356 1.00 0.00 H new ATOM 0 HH21 ARG A 42 19.033 -12.700 9.505 1.00 0.00 H new ATOM 0 HH22 ARG A 42 19.938 -11.213 9.204 1.00 0.00 H new ATOM 695 N LYS A 43 10.914 -12.600 9.593 1.00 0.00 N ATOM 696 CA LYS A 43 9.733 -11.743 9.806 1.00 0.00 C ATOM 697 C LYS A 43 8.809 -12.322 10.875 1.00 0.00 C ATOM 698 O LYS A 43 8.523 -11.677 11.888 1.00 0.00 O ATOM 699 CB LYS A 43 8.937 -11.577 8.490 1.00 0.00 C ATOM 700 CG LYS A 43 8.176 -10.276 8.369 1.00 0.00 C ATOM 701 CD LYS A 43 9.126 -9.105 8.160 1.00 0.00 C ATOM 702 CE LYS A 43 8.375 -7.844 7.771 1.00 0.00 C ATOM 703 NZ LYS A 43 7.710 -7.991 6.454 1.00 0.00 N ATOM 0 H LYS A 43 11.040 -12.891 8.624 1.00 0.00 H new ATOM 0 HA LYS A 43 10.096 -10.772 10.142 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.628 -11.657 7.651 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.232 -12.404 8.402 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.478 -10.336 7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.584 -10.112 9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.692 -8.926 9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.848 -9.355 7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.630 -7.614 8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.067 -7.003 7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.472 -7.051 6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.351 -8.476 5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.840 -8.550 6.565 1.00 0.00 H new ATOM 717 N ALA A 44 8.377 -13.551 10.659 1.00 0.00 N ATOM 718 CA ALA A 44 7.410 -14.182 11.546 1.00 0.00 C ATOM 719 C ALA A 44 8.057 -14.751 12.809 1.00 0.00 C ATOM 720 O ALA A 44 7.373 -15.002 13.805 1.00 0.00 O ATOM 721 CB ALA A 44 6.622 -15.261 10.809 1.00 0.00 C ATOM 0 H ALA A 44 8.679 -14.134 9.878 1.00 0.00 H new ATOM 0 HA ALA A 44 6.720 -13.402 11.867 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.906 -15.719 11.491 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.089 -14.813 9.970 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.308 -16.023 10.438 1.00 0.00 H new ATOM 727 N LEU A 45 9.361 -14.933 12.781 1.00 0.00 N ATOM 728 CA LEU A 45 10.065 -15.514 13.919 1.00 0.00 C ATOM 729 C LEU A 45 10.423 -14.460 14.956 1.00 0.00 C ATOM 730 O LEU A 45 10.168 -14.638 16.151 1.00 0.00 O ATOM 731 CB LEU A 45 11.332 -16.238 13.460 1.00 0.00 C ATOM 732 CG LEU A 45 12.159 -16.905 14.562 1.00 0.00 C ATOM 733 CD1 LEU A 45 11.394 -18.060 15.193 1.00 0.00 C ATOM 734 CD2 LEU A 45 13.494 -17.380 14.011 1.00 0.00 C ATOM 0 H LEU A 45 9.957 -14.690 11.990 1.00 0.00 H new ATOM 0 HA LEU A 45 9.389 -16.233 14.383 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.049 -17.000 12.734 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.967 -15.522 12.939 1.00 0.00 H new ATOM 0 HG LEU A 45 12.351 -16.165 15.339 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.003 -18.517 15.973 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.467 -17.688 15.628 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.163 -18.804 14.430 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.069 -17.852 14.808 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.322 -18.101 13.212 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.049 -16.528 13.618 1.00 0.00 H new ATOM 746 N GLU A 46 11.002 -13.368 14.501 1.00 0.00 N ATOM 747 CA GLU A 46 11.454 -12.321 15.402 1.00 0.00 C ATOM 748 C GLU A 46 10.302 -11.551 16.023 1.00 0.00 C ATOM 749 O GLU A 46 10.308 -11.291 17.223 1.00 0.00 O ATOM 750 CB GLU A 46 12.406 -11.350 14.694 1.00 0.00 C ATOM 751 CG GLU A 46 13.727 -11.976 14.277 1.00 0.00 C ATOM 752 CD GLU A 46 14.499 -12.524 15.456 1.00 0.00 C ATOM 753 OE1 GLU A 46 14.925 -11.726 16.320 1.00 0.00 O ATOM 754 OE2 GLU A 46 14.690 -13.751 15.527 1.00 0.00 O ATOM 0 H GLU A 46 11.172 -13.180 13.513 1.00 0.00 H new ATOM 0 HA GLU A 46 11.991 -12.823 16.207 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.910 -10.950 13.810 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.607 -10.507 15.355 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.537 -12.779 13.565 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.334 -11.231 13.763 1.00 0.00 H new ATOM 761 N ASP A 47 9.308 -11.200 15.223 1.00 0.00 N ATOM 762 CA ASP A 47 8.228 -10.361 15.730 1.00 0.00 C ATOM 763 C ASP A 47 6.857 -10.787 15.191 1.00 0.00 C ATOM 764 O ASP A 47 5.863 -10.099 15.421 1.00 0.00 O ATOM 765 CB ASP A 47 8.523 -8.892 15.347 1.00 0.00 C ATOM 766 CG ASP A 47 7.563 -7.880 15.955 1.00 0.00 C ATOM 767 OD1 ASP A 47 7.780 -7.473 17.115 1.00 0.00 O ATOM 768 OD2 ASP A 47 6.599 -7.468 15.267 1.00 0.00 O ATOM 0 H ASP A 47 9.224 -11.473 14.244 1.00 0.00 H new ATOM 0 HA ASP A 47 8.185 -10.472 16.814 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.538 -8.645 15.658 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.491 -8.799 14.261 1.00 0.00 H new ATOM 773 N LYS A 48 6.783 -11.956 14.527 1.00 0.00 N ATOM 774 CA LYS A 48 5.534 -12.411 13.869 1.00 0.00 C ATOM 775 C LYS A 48 5.159 -11.513 12.681 1.00 0.00 C ATOM 776 O LYS A 48 5.035 -11.988 11.552 1.00 0.00 O ATOM 777 CB LYS A 48 4.364 -12.527 14.866 1.00 0.00 C ATOM 778 CG LYS A 48 4.442 -13.748 15.772 1.00 0.00 C ATOM 779 CD LYS A 48 4.212 -15.036 14.990 1.00 0.00 C ATOM 780 CE LYS A 48 4.298 -16.257 15.891 1.00 0.00 C ATOM 781 NZ LYS A 48 5.673 -16.475 16.405 1.00 0.00 N ATOM 0 H LYS A 48 7.566 -12.602 14.430 1.00 0.00 H new ATOM 0 HA LYS A 48 5.731 -13.410 13.481 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.336 -11.630 15.484 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.427 -12.559 14.309 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.419 -13.783 16.255 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.698 -13.664 16.564 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.233 -15.003 14.512 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.952 -15.117 14.194 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.612 -16.137 16.730 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.974 -17.139 15.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.009 -17.414 16.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.307 -15.744 16.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.668 -16.420 17.444 1.00 0.00 H new ATOM 795 N LEU A 49 4.994 -10.230 12.942 1.00 0.00 N ATOM 796 CA LEU A 49 4.664 -9.268 11.914 1.00 0.00 C ATOM 797 C LEU A 49 5.922 -8.534 11.474 1.00 0.00 C ATOM 798 O LEU A 49 6.227 -8.468 10.284 1.00 0.00 O ATOM 799 CB LEU A 49 3.623 -8.268 12.429 1.00 0.00 C ATOM 800 CG LEU A 49 2.283 -8.869 12.862 1.00 0.00 C ATOM 801 CD1 LEU A 49 1.393 -7.801 13.471 1.00 0.00 C ATOM 802 CD2 LEU A 49 1.585 -9.531 11.682 1.00 0.00 C ATOM 0 H LEU A 49 5.086 -9.827 13.875 1.00 0.00 H new ATOM 0 HA LEU A 49 4.241 -9.797 11.060 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.050 -7.731 13.276 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.435 -7.532 11.647 1.00 0.00 H new ATOM 0 HG LEU A 49 2.478 -9.630 13.618 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.445 -8.246 13.773 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.886 -7.370 14.343 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.208 -7.018 12.735 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.635 -9.952 12.011 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.404 -8.790 10.904 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.216 -10.326 11.285 1.00 0.00 H new ATOM 814 N ALA A 50 6.644 -7.971 12.460 1.00 0.00 N ATOM 815 CA ALA A 50 7.903 -7.252 12.219 1.00 0.00 C ATOM 816 C ALA A 50 7.696 -6.055 11.298 1.00 0.00 C ATOM 817 O ALA A 50 8.629 -5.584 10.645 1.00 0.00 O ATOM 818 CB ALA A 50 8.960 -8.195 11.654 1.00 0.00 C ATOM 0 H ALA A 50 6.370 -8.003 13.442 1.00 0.00 H new ATOM 0 HA ALA A 50 8.257 -6.871 13.177 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.885 -7.644 11.482 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.145 -9.002 12.363 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.607 -8.614 10.712 1.00 0.00 H new ATOM 824 N ASP A 51 6.475 -5.554 11.268 1.00 0.00 N ATOM 825 CA ASP A 51 6.135 -4.416 10.438 1.00 0.00 C ATOM 826 C ASP A 51 6.163 -3.147 11.267 1.00 0.00 C ATOM 827 O ASP A 51 5.609 -3.106 12.369 1.00 0.00 O ATOM 828 CB ASP A 51 4.751 -4.607 9.810 1.00 0.00 C ATOM 829 CG ASP A 51 4.375 -3.484 8.866 1.00 0.00 C ATOM 830 OD1 ASP A 51 4.904 -3.448 7.740 1.00 0.00 O ATOM 831 OD2 ASP A 51 3.540 -2.637 9.239 1.00 0.00 O ATOM 0 H ASP A 51 5.697 -5.922 11.815 1.00 0.00 H new ATOM 0 HA ASP A 51 6.869 -4.334 9.637 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.730 -5.553 9.269 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.004 -4.676 10.601 1.00 0.00 H new ATOM 836 N TYR A 52 6.814 -2.126 10.756 1.00 0.00 N ATOM 837 CA TYR A 52 6.914 -0.872 11.467 1.00 0.00 C ATOM 838 C TYR A 52 5.820 0.072 11.011 1.00 0.00 C ATOM 839 O TYR A 52 5.931 0.623 9.901 1.00 0.00 O ATOM 840 CB TYR A 52 8.294 -0.238 11.267 1.00 0.00 C ATOM 841 CG TYR A 52 8.519 1.000 12.108 1.00 0.00 C ATOM 842 CD1 TYR A 52 8.751 0.899 13.474 1.00 0.00 C ATOM 843 CD2 TYR A 52 8.501 2.267 11.538 1.00 0.00 C ATOM 844 CE1 TYR A 52 8.956 2.023 14.247 1.00 0.00 C ATOM 845 CE2 TYR A 52 8.706 3.396 12.305 1.00 0.00 C ATOM 846 CZ TYR A 52 8.932 3.268 13.657 1.00 0.00 C ATOM 847 OH TYR A 52 9.137 4.392 14.427 1.00 0.00 O ATOM 848 OXT TYR A 52 4.838 0.247 11.759 1.00 0.00 O ATOM 0 H TYR A 52 7.282 -2.140 9.850 1.00 0.00 H new ATOM 0 HA TYR A 52 6.788 -1.067 12.532 1.00 0.00 H new ATOM 0 HB2 TYR A 52 9.061 -0.974 11.507 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.417 0.020 10.215 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.771 -0.076 13.939 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.324 2.370 10.478 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.134 1.928 15.308 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.689 4.374 11.847 1.00 0.00 H new ATOM 0 HH TYR A 52 9.090 5.190 13.860 1.00 0.00 H new TER 858 TYR A 52