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 Single : A 1 GLY N :NH3+ -131:sc= 0.0557 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.736 K(o=0.74,f=-0.0056) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= 1.2 (180deg=1.01) USER MOD Single : A 17 ASN : amide:sc= -0.624 K(o=-0.62,f=-2.7!) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= -0.0482 (180deg=-0.256) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.121 K(o=-0.12,f=-0.7) USER MOD Single : A 35 HIS : no HD1:sc= -4! C(o=-4!,f=-8.4!) USER MOD Single : A 37 LYS NZ :NH3+ -141:sc= 1.16 (180deg=0.552) USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -0.0854 (180deg=-0.455) USER MOD Single : A 43 LYS NZ :NH3+ -134:sc= 0.917 (180deg=0.219) USER MOD Single : A 48 LYS NZ :NH3+ -176:sc=-0.00674 (180deg=-0.0175) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.379 -22.513 2.339 1.00 0.00 N ATOM 2 CA GLY A 1 19.347 -21.642 3.531 1.00 0.00 C ATOM 3 C GLY A 1 19.448 -22.435 4.814 1.00 0.00 C ATOM 4 O GLY A 1 19.969 -23.550 4.819 1.00 0.00 O ATOM 0 H1 GLY A 1 20.072 -22.143 1.657 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.651 -23.477 2.620 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.437 -22.533 1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.169 -20.928 3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.423 -21.064 3.533 1.00 0.00 H new ATOM 10 N SER A 2 18.965 -21.862 5.897 1.00 0.00 N ATOM 11 CA SER A 2 18.983 -22.520 7.194 1.00 0.00 C ATOM 12 C SER A 2 17.560 -22.653 7.723 1.00 0.00 C ATOM 13 O SER A 2 17.351 -22.810 8.914 1.00 0.00 O ATOM 14 CB SER A 2 19.819 -21.701 8.178 1.00 0.00 C ATOM 15 OG SER A 2 21.111 -21.427 7.654 1.00 0.00 O ATOM 0 H SER A 2 18.550 -20.930 5.907 1.00 0.00 H new ATOM 0 HA SER A 2 19.423 -23.511 7.085 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.308 -20.764 8.401 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.913 -22.244 9.118 1.00 0.00 H new ATOM 0 HG SER A 2 21.623 -20.901 8.303 1.00 0.00 H new ATOM 21 N VAL A 3 16.602 -22.634 6.805 1.00 0.00 N ATOM 22 CA VAL A 3 15.171 -22.648 7.124 1.00 0.00 C ATOM 23 C VAL A 3 14.819 -23.652 8.236 1.00 0.00 C ATOM 24 O VAL A 3 14.187 -23.292 9.235 1.00 0.00 O ATOM 25 CB VAL A 3 14.325 -22.958 5.864 1.00 0.00 C ATOM 26 CG1 VAL A 3 12.838 -22.818 6.159 1.00 0.00 C ATOM 27 CG2 VAL A 3 14.729 -22.054 4.708 1.00 0.00 C ATOM 0 H VAL A 3 16.794 -22.608 5.804 1.00 0.00 H new ATOM 0 HA VAL A 3 14.933 -21.649 7.489 1.00 0.00 H new ATOM 0 HB VAL A 3 14.518 -23.991 5.575 1.00 0.00 H new ATOM 0 HG11 VAL A 3 12.266 -23.041 5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 3 12.557 -23.514 6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 3 12.625 -21.799 6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 3 14.122 -22.289 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 3 14.573 -21.012 4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 3 15.781 -22.213 4.473 1.00 0.00 H new ATOM 37 N GLU A 4 15.244 -24.891 8.068 1.00 0.00 N ATOM 38 CA GLU A 4 14.943 -25.939 9.036 1.00 0.00 C ATOM 39 C GLU A 4 15.673 -25.740 10.382 1.00 0.00 C ATOM 40 O GLU A 4 15.033 -25.641 11.435 1.00 0.00 O ATOM 41 CB GLU A 4 15.250 -27.330 8.445 1.00 0.00 C ATOM 42 CG GLU A 4 16.648 -27.466 7.847 1.00 0.00 C ATOM 43 CD GLU A 4 16.935 -28.863 7.338 1.00 0.00 C ATOM 44 OE1 GLU A 4 16.618 -29.157 6.170 1.00 0.00 O ATOM 45 OE2 GLU A 4 17.483 -29.675 8.104 1.00 0.00 O ATOM 0 H GLU A 4 15.800 -25.200 7.270 1.00 0.00 H new ATOM 0 HA GLU A 4 13.876 -25.873 9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 4 15.128 -28.079 9.228 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.514 -27.554 7.673 1.00 0.00 H new ATOM 0 HG2 GLU A 4 16.758 -26.756 7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 4 17.388 -27.200 8.601 1.00 0.00 H new ATOM 52 N LYS A 5 16.995 -25.653 10.336 1.00 0.00 N ATOM 53 CA LYS A 5 17.822 -25.576 11.547 1.00 0.00 C ATOM 54 C LYS A 5 17.684 -24.231 12.278 1.00 0.00 C ATOM 55 O LYS A 5 17.876 -24.150 13.490 1.00 0.00 O ATOM 56 CB LYS A 5 19.287 -25.829 11.182 1.00 0.00 C ATOM 57 CG LYS A 5 20.215 -25.961 12.376 1.00 0.00 C ATOM 58 CD LYS A 5 21.654 -26.129 11.930 1.00 0.00 C ATOM 59 CE LYS A 5 22.585 -26.316 13.113 1.00 0.00 C ATOM 60 NZ LYS A 5 24.003 -26.392 12.690 1.00 0.00 N ATOM 0 H LYS A 5 17.528 -25.633 9.467 1.00 0.00 H new ATOM 0 HA LYS A 5 17.467 -26.344 12.234 1.00 0.00 H new ATOM 0 HB2 LYS A 5 19.349 -26.740 10.586 1.00 0.00 H new ATOM 0 HB3 LYS A 5 19.639 -25.012 10.552 1.00 0.00 H new ATOM 0 HG2 LYS A 5 20.127 -25.078 13.009 1.00 0.00 H new ATOM 0 HG3 LYS A 5 19.916 -26.817 12.981 1.00 0.00 H new ATOM 0 HD2 LYS A 5 21.732 -26.989 11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 5 21.963 -25.255 11.357 1.00 0.00 H new ATOM 0 HE2 LYS A 5 22.458 -25.488 13.810 1.00 0.00 H new ATOM 0 HE3 LYS A 5 22.316 -27.227 13.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 24.608 -26.520 13.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 24.130 -27.197 12.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 24.267 -25.512 12.202 1.00 0.00 H new ATOM 74 N LEU A 6 17.347 -23.189 11.545 1.00 0.00 N ATOM 75 CA LEU A 6 17.227 -21.845 12.125 1.00 0.00 C ATOM 76 C LEU A 6 15.812 -21.620 12.670 1.00 0.00 C ATOM 77 O LEU A 6 15.478 -20.531 13.157 1.00 0.00 O ATOM 78 CB LEU A 6 17.583 -20.780 11.071 1.00 0.00 C ATOM 79 CG LEU A 6 17.779 -19.352 11.567 1.00 0.00 C ATOM 80 CD1 LEU A 6 18.917 -19.281 12.577 1.00 0.00 C ATOM 81 CD2 LEU A 6 18.056 -18.438 10.387 1.00 0.00 C ATOM 0 H LEU A 6 17.149 -23.236 10.545 1.00 0.00 H new ATOM 0 HA LEU A 6 17.927 -21.757 12.956 1.00 0.00 H new ATOM 0 HB2 LEU A 6 18.499 -21.093 10.570 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.795 -20.772 10.318 1.00 0.00 H new ATOM 0 HG LEU A 6 16.868 -19.024 12.067 1.00 0.00 H new ATOM 0 HD11 LEU A 6 19.038 -18.252 12.917 1.00 0.00 H new ATOM 0 HD12 LEU A 6 18.687 -19.920 13.430 1.00 0.00 H new ATOM 0 HD13 LEU A 6 19.841 -19.620 12.108 1.00 0.00 H new ATOM 0 HD21 LEU A 6 18.196 -17.417 10.743 1.00 0.00 H new ATOM 0 HD22 LEU A 6 18.958 -18.770 9.873 1.00 0.00 H new ATOM 0 HD23 LEU A 6 17.213 -18.469 9.697 1.00 0.00 H new ATOM 93 N THR A 7 14.989 -22.667 12.575 1.00 0.00 N ATOM 94 CA THR A 7 13.615 -22.638 13.067 1.00 0.00 C ATOM 95 C THR A 7 12.756 -21.653 12.240 1.00 0.00 C ATOM 96 O THR A 7 11.660 -21.268 12.639 1.00 0.00 O ATOM 97 CB THR A 7 13.576 -22.269 14.582 1.00 0.00 C ATOM 98 OG1 THR A 7 14.559 -23.047 15.287 1.00 0.00 O ATOM 99 CG2 THR A 7 12.205 -22.553 15.190 1.00 0.00 C ATOM 0 H THR A 7 15.259 -23.556 12.155 1.00 0.00 H new ATOM 0 HA THR A 7 13.193 -23.636 12.951 1.00 0.00 H new ATOM 0 HB THR A 7 13.786 -21.203 14.674 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.538 -22.816 16.239 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.213 -22.285 16.246 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.448 -21.964 14.672 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.974 -23.613 15.087 1.00 0.00 H new ATOM 107 N ALA A 8 13.252 -21.285 11.065 1.00 0.00 N ATOM 108 CA ALA A 8 12.521 -20.375 10.190 1.00 0.00 C ATOM 109 C ALA A 8 11.334 -21.091 9.574 1.00 0.00 C ATOM 110 O ALA A 8 10.340 -20.474 9.220 1.00 0.00 O ATOM 111 CB ALA A 8 13.425 -19.798 9.103 1.00 0.00 C ATOM 0 H ALA A 8 14.150 -21.599 10.698 1.00 0.00 H new ATOM 0 HA ALA A 8 12.160 -19.541 10.792 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.848 -19.125 8.469 1.00 0.00 H new ATOM 0 HB2 ALA A 8 14.245 -19.248 9.565 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.829 -20.609 8.497 1.00 0.00 H new ATOM 117 N ASP A 9 11.443 -22.410 9.475 1.00 0.00 N ATOM 118 CA ASP A 9 10.357 -23.241 8.938 1.00 0.00 C ATOM 119 C ASP A 9 9.133 -23.139 9.836 1.00 0.00 C ATOM 120 O ASP A 9 7.990 -23.236 9.377 1.00 0.00 O ATOM 121 CB ASP A 9 10.800 -24.709 8.816 1.00 0.00 C ATOM 122 CG ASP A 9 9.705 -25.606 8.282 1.00 0.00 C ATOM 123 OD1 ASP A 9 9.448 -25.583 7.066 1.00 0.00 O ATOM 124 OD2 ASP A 9 9.112 -26.360 9.076 1.00 0.00 O ATOM 0 H ASP A 9 12.271 -22.934 9.758 1.00 0.00 H new ATOM 0 HA ASP A 9 10.104 -22.876 7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 9 11.667 -24.769 8.158 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.116 -25.071 9.794 1.00 0.00 H new ATOM 129 N ALA A 10 9.383 -22.930 11.118 1.00 0.00 N ATOM 130 CA ALA A 10 8.308 -22.759 12.092 1.00 0.00 C ATOM 131 C ALA A 10 7.597 -21.442 11.844 1.00 0.00 C ATOM 132 O ALA A 10 6.386 -21.349 11.992 1.00 0.00 O ATOM 133 CB ALA A 10 8.838 -22.823 13.525 1.00 0.00 C ATOM 0 H ALA A 10 10.322 -22.874 11.513 1.00 0.00 H new ATOM 0 HA ALA A 10 7.599 -23.578 11.969 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.012 -22.692 14.224 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.309 -23.791 13.696 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.571 -22.031 13.677 1.00 0.00 H new ATOM 139 N GLU A 11 8.368 -20.432 11.449 1.00 0.00 N ATOM 140 CA GLU A 11 7.810 -19.117 11.102 1.00 0.00 C ATOM 141 C GLU A 11 6.885 -19.274 9.896 1.00 0.00 C ATOM 142 O GLU A 11 5.805 -18.690 9.838 1.00 0.00 O ATOM 143 CB GLU A 11 8.938 -18.109 10.790 1.00 0.00 C ATOM 144 CG GLU A 11 8.453 -16.704 10.462 1.00 0.00 C ATOM 145 CD GLU A 11 7.815 -16.007 11.645 1.00 0.00 C ATOM 146 OE1 GLU A 11 8.543 -15.354 12.417 1.00 0.00 O ATOM 147 OE2 GLU A 11 6.574 -16.076 11.789 1.00 0.00 O ATOM 0 H GLU A 11 9.382 -20.494 11.360 1.00 0.00 H new ATOM 0 HA GLU A 11 7.244 -18.730 11.949 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.610 -18.057 11.647 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.522 -18.484 9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.294 -16.109 10.107 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.732 -16.756 9.646 1.00 0.00 H new ATOM 154 N LEU A 12 7.328 -20.084 8.936 1.00 0.00 N ATOM 155 CA LEU A 12 6.518 -20.407 7.756 1.00 0.00 C ATOM 156 C LEU A 12 5.168 -20.975 8.181 1.00 0.00 C ATOM 157 O LEU A 12 4.139 -20.556 7.689 1.00 0.00 O ATOM 158 CB LEU A 12 7.240 -21.411 6.832 1.00 0.00 C ATOM 159 CG LEU A 12 8.259 -20.834 5.828 1.00 0.00 C ATOM 160 CD1 LEU A 12 9.191 -19.833 6.482 1.00 0.00 C ATOM 161 CD2 LEU A 12 9.062 -21.963 5.205 1.00 0.00 C ATOM 0 H LEU A 12 8.245 -20.531 8.950 1.00 0.00 H new ATOM 0 HA LEU A 12 6.363 -19.483 7.199 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.757 -22.137 7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.483 -21.958 6.270 1.00 0.00 H new ATOM 0 HG LEU A 12 7.702 -20.307 5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.893 -19.451 5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.609 -19.007 6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.742 -20.321 7.286 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.780 -21.551 4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.594 -22.506 5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.389 -22.644 4.684 1.00 0.00 H new ATOM 173 N GLN A 13 5.193 -21.926 9.112 1.00 0.00 N ATOM 174 CA GLN A 13 3.955 -22.531 9.644 1.00 0.00 C ATOM 175 C GLN A 13 3.145 -21.477 10.406 1.00 0.00 C ATOM 176 O GLN A 13 1.915 -21.384 10.267 1.00 0.00 O ATOM 177 CB GLN A 13 4.289 -23.717 10.579 1.00 0.00 C ATOM 178 CG GLN A 13 3.081 -24.315 11.299 1.00 0.00 C ATOM 179 CD GLN A 13 2.057 -24.903 10.352 1.00 0.00 C ATOM 180 OE1 GLN A 13 2.120 -26.082 10.005 1.00 0.00 O ATOM 181 NE2 GLN A 13 1.101 -24.096 9.941 1.00 0.00 N ATOM 0 H GLN A 13 6.051 -22.300 9.519 1.00 0.00 H new ATOM 0 HA GLN A 13 3.363 -22.904 8.808 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.772 -24.500 9.994 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.012 -23.384 11.324 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.422 -25.091 11.984 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.606 -23.542 11.904 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.085 -23.125 10.252 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.377 -24.442 9.312 1.00 0.00 H new ATOM 190 N ARG A 14 3.862 -20.688 11.183 1.00 0.00 N ATOM 191 CA ARG A 14 3.300 -19.606 12.002 1.00 0.00 C ATOM 192 C ARG A 14 2.464 -18.646 11.148 1.00 0.00 C ATOM 193 O ARG A 14 1.489 -18.072 11.619 1.00 0.00 O ATOM 194 CB ARG A 14 4.454 -18.867 12.707 1.00 0.00 C ATOM 195 CG ARG A 14 4.069 -17.718 13.616 1.00 0.00 C ATOM 196 CD ARG A 14 5.260 -17.365 14.493 1.00 0.00 C ATOM 197 NE ARG A 14 5.108 -16.105 15.220 1.00 0.00 N ATOM 198 CZ ARG A 14 4.688 -16.012 16.473 1.00 0.00 C ATOM 199 NH1 ARG A 14 4.162 -17.072 17.080 1.00 0.00 N ATOM 200 NH2 ARG A 14 4.781 -14.854 17.114 1.00 0.00 N ATOM 0 H ARG A 14 4.874 -20.775 11.272 1.00 0.00 H new ATOM 0 HA ARG A 14 2.631 -20.027 12.752 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.015 -19.593 13.295 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.131 -18.485 11.943 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.767 -16.854 13.024 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.215 -17.996 14.234 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.422 -18.170 15.210 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.153 -17.309 13.871 1.00 0.00 H new ATOM 0 HE ARG A 14 5.341 -15.241 14.730 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.082 -17.958 16.581 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.839 -16.999 18.045 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.175 -14.040 16.642 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.459 -14.778 18.079 1.00 0.00 H new ATOM 214 N LEU A 15 2.874 -18.452 9.914 1.00 0.00 N ATOM 215 CA LEU A 15 2.117 -17.632 8.974 1.00 0.00 C ATOM 216 C LEU A 15 1.151 -18.478 8.150 1.00 0.00 C ATOM 217 O LEU A 15 0.021 -18.061 7.873 1.00 0.00 O ATOM 218 CB LEU A 15 3.063 -16.882 8.045 1.00 0.00 C ATOM 219 CG LEU A 15 4.116 -16.031 8.736 1.00 0.00 C ATOM 220 CD1 LEU A 15 4.975 -15.318 7.710 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.461 -15.040 9.691 1.00 0.00 C ATOM 0 H LEU A 15 3.731 -18.850 9.530 1.00 0.00 H new ATOM 0 HA LEU A 15 1.535 -16.916 9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.568 -17.606 7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.471 -16.239 7.393 1.00 0.00 H new ATOM 0 HG LEU A 15 4.763 -16.683 9.323 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.724 -14.713 8.220 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.472 -16.053 7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.347 -14.675 7.094 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.230 -14.440 10.176 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.789 -14.387 9.134 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.894 -15.584 10.447 1.00 0.00 H new ATOM 233 N LYS A 16 1.616 -19.675 7.786 1.00 0.00 N ATOM 234 CA LYS A 16 0.895 -20.620 6.888 1.00 0.00 C ATOM 235 C LYS A 16 -0.574 -20.833 7.257 1.00 0.00 C ATOM 236 O LYS A 16 -1.387 -21.178 6.391 1.00 0.00 O ATOM 237 CB LYS A 16 1.614 -21.986 6.824 1.00 0.00 C ATOM 238 CG LYS A 16 1.164 -22.871 5.664 1.00 0.00 C ATOM 239 CD LYS A 16 1.332 -22.164 4.320 1.00 0.00 C ATOM 240 CE LYS A 16 2.767 -21.691 4.108 1.00 0.00 C ATOM 241 NZ LYS A 16 2.915 -20.916 2.855 1.00 0.00 N ATOM 0 H LYS A 16 2.516 -20.033 8.104 1.00 0.00 H new ATOM 0 HA LYS A 16 0.909 -20.145 5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.688 -21.816 6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.445 -22.518 7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.742 -23.795 5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.119 -23.149 5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.049 -22.841 3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.656 -21.310 4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.075 -21.076 4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.433 -22.553 4.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.812 -20.390 2.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.913 -21.566 2.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.124 -20.247 2.765 1.00 0.00 H new ATOM 255 N ASN A 17 -0.924 -20.629 8.518 1.00 0.00 N ATOM 256 CA ASN A 17 -2.320 -20.800 8.955 1.00 0.00 C ATOM 257 C ASN A 17 -3.250 -19.749 8.333 1.00 0.00 C ATOM 258 O ASN A 17 -4.453 -19.752 8.601 1.00 0.00 O ATOM 259 CB ASN A 17 -2.447 -20.782 10.481 1.00 0.00 C ATOM 260 CG ASN A 17 -1.870 -19.537 11.103 1.00 0.00 C ATOM 261 OD1 ASN A 17 -2.535 -18.511 11.211 1.00 0.00 O ATOM 262 ND2 ASN A 17 -0.638 -19.628 11.539 1.00 0.00 N ATOM 0 H ASN A 17 -0.278 -20.348 9.255 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.633 -21.782 8.599 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.499 -20.864 10.754 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.942 -21.656 10.893 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.196 -18.826 11.989 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.121 -20.500 11.429 1.00 0.00 H new ATOM 269 N GLU A 18 -2.673 -18.838 7.525 1.00 0.00 N ATOM 270 CA GLU A 18 -3.431 -17.830 6.787 1.00 0.00 C ATOM 271 C GLU A 18 -3.890 -16.701 7.730 1.00 0.00 C ATOM 272 O GLU A 18 -5.085 -16.477 7.915 1.00 0.00 O ATOM 273 CB GLU A 18 -4.631 -18.481 6.065 1.00 0.00 C ATOM 274 CG GLU A 18 -5.321 -17.589 5.051 1.00 0.00 C ATOM 275 CD GLU A 18 -6.427 -18.315 4.326 1.00 0.00 C ATOM 276 OE1 GLU A 18 -6.164 -18.869 3.240 1.00 0.00 O ATOM 277 OE2 GLU A 18 -7.563 -18.355 4.844 1.00 0.00 O ATOM 0 H GLU A 18 -1.666 -18.787 7.371 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.783 -17.389 6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.287 -19.384 5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.362 -18.792 6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.731 -16.714 5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.590 -17.227 4.329 1.00 0.00 H new ATOM 284 N ARG A 19 -2.920 -15.991 8.340 1.00 0.00 N ATOM 285 CA ARG A 19 -3.235 -14.927 9.263 1.00 0.00 C ATOM 286 C ARG A 19 -2.666 -13.581 8.759 1.00 0.00 C ATOM 287 O ARG A 19 -1.774 -13.001 9.376 1.00 0.00 O ATOM 288 CB ARG A 19 -2.691 -15.251 10.664 1.00 0.00 C ATOM 289 CG ARG A 19 -3.308 -14.394 11.760 1.00 0.00 C ATOM 290 CD ARG A 19 -3.038 -14.954 13.147 1.00 0.00 C ATOM 291 NE ARG A 19 -1.662 -14.734 13.599 1.00 0.00 N ATOM 292 CZ ARG A 19 -1.337 -14.150 14.763 1.00 0.00 C ATOM 293 NH1 ARG A 19 -2.290 -13.671 15.566 1.00 0.00 N ATOM 294 NH2 ARG A 19 -0.062 -14.047 15.121 1.00 0.00 N ATOM 0 H ARG A 19 -1.922 -16.148 8.199 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.320 -14.838 9.326 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.878 -16.302 10.885 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.610 -15.112 10.668 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.909 -13.382 11.695 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.384 -14.324 11.602 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.725 -14.495 13.858 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.247 -16.024 13.147 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.904 -15.044 12.991 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.271 -13.748 15.296 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.037 -13.228 16.449 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.670 -14.412 14.511 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.185 -13.603 16.006 1.00 0.00 H new ATOM 308 N HIS A 20 -3.149 -13.142 7.579 1.00 0.00 N ATOM 309 CA HIS A 20 -2.827 -11.834 6.979 1.00 0.00 C ATOM 310 C HIS A 20 -1.465 -11.799 6.324 1.00 0.00 C ATOM 311 O HIS A 20 -1.342 -11.480 5.137 1.00 0.00 O ATOM 312 CB HIS A 20 -2.969 -10.680 7.995 1.00 0.00 C ATOM 313 CG HIS A 20 -4.368 -10.454 8.469 1.00 0.00 C ATOM 314 ND1 HIS A 20 -4.795 -10.763 9.744 1.00 0.00 N ATOM 315 CD2 HIS A 20 -5.443 -9.934 7.835 1.00 0.00 C ATOM 316 CE1 HIS A 20 -6.071 -10.444 9.868 1.00 0.00 C ATOM 317 NE2 HIS A 20 -6.486 -9.939 8.727 1.00 0.00 N ATOM 0 H HIS A 20 -3.785 -13.698 7.007 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.565 -11.689 6.190 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.334 -10.888 8.856 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.598 -9.762 7.540 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.475 -9.580 6.815 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.671 -10.576 10.756 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -7.431 -9.605 8.536 1.00 0.00 H new ATOM 325 N GLU A 21 -0.461 -12.155 7.066 1.00 0.00 N ATOM 326 CA GLU A 21 0.910 -12.056 6.568 1.00 0.00 C ATOM 327 C GLU A 21 1.262 -13.227 5.657 1.00 0.00 C ATOM 328 O GLU A 21 2.211 -13.157 4.883 1.00 0.00 O ATOM 329 CB GLU A 21 1.918 -11.895 7.718 1.00 0.00 C ATOM 330 CG GLU A 21 3.334 -11.581 7.253 1.00 0.00 C ATOM 331 CD GLU A 21 4.066 -10.657 8.196 1.00 0.00 C ATOM 332 OE1 GLU A 21 4.463 -11.103 9.284 1.00 0.00 O ATOM 333 OE2 GLU A 21 4.243 -9.473 7.854 1.00 0.00 O ATOM 0 H GLU A 21 -0.546 -12.517 8.016 1.00 0.00 H new ATOM 0 HA GLU A 21 0.973 -11.153 5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.577 -11.098 8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.934 -12.812 8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.894 -12.511 7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.294 -11.126 6.263 1.00 0.00 H new ATOM 340 N GLU A 22 0.478 -14.291 5.733 1.00 0.00 N ATOM 341 CA GLU A 22 0.682 -15.451 4.856 1.00 0.00 C ATOM 342 C GLU A 22 0.472 -15.040 3.408 1.00 0.00 C ATOM 343 O GLU A 22 1.275 -15.364 2.537 1.00 0.00 O ATOM 344 CB GLU A 22 -0.266 -16.606 5.227 1.00 0.00 C ATOM 345 CG GLU A 22 -0.262 -17.781 4.246 1.00 0.00 C ATOM 346 CD GLU A 22 1.127 -18.325 3.941 1.00 0.00 C ATOM 347 OE1 GLU A 22 1.943 -18.438 4.859 1.00 0.00 O ATOM 348 OE2 GLU A 22 1.388 -18.669 2.762 1.00 0.00 O ATOM 0 H GLU A 22 -0.301 -14.383 6.385 1.00 0.00 H new ATOM 0 HA GLU A 22 1.704 -15.806 4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.005 -16.976 6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.281 -16.215 5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.875 -18.585 4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.731 -17.465 3.314 1.00 0.00 H new ATOM 355 N ALA A 23 -0.602 -14.295 3.166 1.00 0.00 N ATOM 356 CA ALA A 23 -0.905 -13.820 1.821 1.00 0.00 C ATOM 357 C ALA A 23 0.181 -12.874 1.338 1.00 0.00 C ATOM 358 O ALA A 23 0.587 -12.919 0.176 1.00 0.00 O ATOM 359 CB ALA A 23 -2.276 -13.142 1.770 1.00 0.00 C ATOM 0 H ALA A 23 -1.273 -14.009 3.879 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.936 -14.683 1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.474 -12.798 0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.045 -13.854 2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.286 -12.290 2.450 1.00 0.00 H new ATOM 365 N GLU A 24 0.671 -12.037 2.247 1.00 0.00 N ATOM 366 CA GLU A 24 1.731 -11.093 1.924 1.00 0.00 C ATOM 367 C GLU A 24 3.028 -11.829 1.607 1.00 0.00 C ATOM 368 O GLU A 24 3.742 -11.467 0.673 1.00 0.00 O ATOM 369 CB GLU A 24 1.944 -10.106 3.074 1.00 0.00 C ATOM 370 CG GLU A 24 0.711 -9.276 3.390 1.00 0.00 C ATOM 371 CD GLU A 24 0.935 -8.285 4.508 1.00 0.00 C ATOM 372 OE1 GLU A 24 0.641 -8.619 5.674 1.00 0.00 O ATOM 373 OE2 GLU A 24 1.383 -7.158 4.225 1.00 0.00 O ATOM 0 H GLU A 24 0.349 -11.995 3.214 1.00 0.00 H new ATOM 0 HA GLU A 24 1.429 -10.531 1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.241 -10.657 3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.768 -9.438 2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.402 -8.739 2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.108 -9.942 3.661 1.00 0.00 H new ATOM 380 N LEU A 25 3.318 -12.872 2.379 1.00 0.00 N ATOM 381 CA LEU A 25 4.509 -13.675 2.156 1.00 0.00 C ATOM 382 C LEU A 25 4.402 -14.431 0.841 1.00 0.00 C ATOM 383 O LEU A 25 5.347 -14.466 0.065 1.00 0.00 O ATOM 384 CB LEU A 25 4.738 -14.659 3.312 1.00 0.00 C ATOM 385 CG LEU A 25 5.973 -15.561 3.178 1.00 0.00 C ATOM 386 CD1 LEU A 25 7.252 -14.732 3.170 1.00 0.00 C ATOM 387 CD2 LEU A 25 6.010 -16.589 4.296 1.00 0.00 C ATOM 0 H LEU A 25 2.743 -13.178 3.164 1.00 0.00 H new ATOM 0 HA LEU A 25 5.363 -12.999 2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.824 -14.091 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.856 -15.292 3.407 1.00 0.00 H new ATOM 0 HG LEU A 25 5.904 -16.090 2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.113 -15.393 3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.231 -14.039 2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.327 -14.170 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.893 -17.218 4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.049 -16.079 5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.115 -17.209 4.250 1.00 0.00 H new ATOM 399 N GLU A 26 3.237 -15.024 0.593 1.00 0.00 N ATOM 400 CA GLU A 26 3.007 -15.760 -0.640 1.00 0.00 C ATOM 401 C GLU A 26 3.125 -14.827 -1.843 1.00 0.00 C ATOM 402 O GLU A 26 3.676 -15.203 -2.884 1.00 0.00 O ATOM 403 CB GLU A 26 1.637 -16.431 -0.621 1.00 0.00 C ATOM 404 CG GLU A 26 1.389 -17.338 -1.811 1.00 0.00 C ATOM 405 CD GLU A 26 0.035 -17.989 -1.769 1.00 0.00 C ATOM 406 OE1 GLU A 26 -0.912 -17.433 -2.357 1.00 0.00 O ATOM 407 OE2 GLU A 26 -0.091 -19.070 -1.149 1.00 0.00 O ATOM 0 H GLU A 26 2.441 -15.007 1.230 1.00 0.00 H new ATOM 0 HA GLU A 26 3.767 -16.537 -0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.539 -17.013 0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.865 -15.662 -0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.481 -16.759 -2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.158 -18.110 -1.842 1.00 0.00 H new ATOM 414 N ARG A 27 2.613 -13.609 -1.690 1.00 0.00 N ATOM 415 CA ARG A 27 2.711 -12.597 -2.740 1.00 0.00 C ATOM 416 C ARG A 27 4.170 -12.231 -2.957 1.00 0.00 C ATOM 417 O ARG A 27 4.637 -12.139 -4.086 1.00 0.00 O ATOM 418 CB ARG A 27 1.926 -11.330 -2.370 1.00 0.00 C ATOM 419 CG ARG A 27 1.931 -10.265 -3.458 1.00 0.00 C ATOM 420 CD ARG A 27 1.908 -8.870 -2.860 1.00 0.00 C ATOM 421 NE ARG A 27 3.170 -8.553 -2.174 1.00 0.00 N ATOM 422 CZ ARG A 27 3.265 -8.136 -0.908 1.00 0.00 C ATOM 423 NH1 ARG A 27 2.175 -7.980 -0.168 1.00 0.00 N ATOM 424 NH2 ARG A 27 4.458 -7.870 -0.385 1.00 0.00 N ATOM 0 H ARG A 27 2.126 -13.298 -0.850 1.00 0.00 H new ATOM 0 HA ARG A 27 2.284 -13.014 -3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.895 -11.605 -2.148 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.347 -10.907 -1.458 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.818 -10.382 -4.081 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.066 -10.400 -4.107 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.728 -8.139 -3.648 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.080 -8.789 -2.155 1.00 0.00 H new ATOM 0 HE ARG A 27 4.036 -8.659 -2.703 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.257 -8.179 -0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.255 -7.661 0.798 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.300 -7.984 -0.950 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.532 -7.552 0.581 1.00 0.00 H new ATOM 438 N LEU A 28 4.886 -12.050 -1.856 1.00 0.00 N ATOM 439 CA LEU A 28 6.302 -11.691 -1.899 1.00 0.00 C ATOM 440 C LEU A 28 7.106 -12.810 -2.548 1.00 0.00 C ATOM 441 O LEU A 28 8.001 -12.561 -3.355 1.00 0.00 O ATOM 442 CB LEU A 28 6.830 -11.414 -0.482 1.00 0.00 C ATOM 443 CG LEU A 28 8.263 -10.910 -0.396 1.00 0.00 C ATOM 444 CD1 LEU A 28 8.398 -9.573 -1.105 1.00 0.00 C ATOM 445 CD2 LEU A 28 8.693 -10.797 1.057 1.00 0.00 C ATOM 0 H LEU A 28 4.508 -12.146 -0.913 1.00 0.00 H new ATOM 0 HA LEU A 28 6.413 -10.784 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.178 -10.680 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.752 -12.332 0.100 1.00 0.00 H new ATOM 0 HG LEU A 28 8.918 -11.626 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.429 -9.226 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.125 -9.688 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.737 -8.844 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.720 -10.435 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.038 -10.099 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.630 -11.776 1.532 1.00 0.00 H new ATOM 457 N LYS A 29 6.768 -14.038 -2.187 1.00 0.00 N ATOM 458 CA LYS A 29 7.394 -15.229 -2.760 1.00 0.00 C ATOM 459 C LYS A 29 7.156 -15.270 -4.266 1.00 0.00 C ATOM 460 O LYS A 29 8.026 -15.678 -5.040 1.00 0.00 O ATOM 461 CB LYS A 29 6.828 -16.498 -2.096 1.00 0.00 C ATOM 462 CG LYS A 29 7.377 -17.795 -2.650 1.00 0.00 C ATOM 463 CD LYS A 29 6.764 -18.992 -1.944 1.00 0.00 C ATOM 464 CE LYS A 29 7.260 -20.299 -2.530 1.00 0.00 C ATOM 465 NZ LYS A 29 8.736 -20.401 -2.481 1.00 0.00 N ATOM 0 H LYS A 29 6.053 -14.242 -1.489 1.00 0.00 H new ATOM 0 HA LYS A 29 8.467 -15.188 -2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.037 -16.457 -1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.744 -16.499 -2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.171 -17.854 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.460 -17.815 -2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.007 -18.953 -0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.678 -18.946 -2.024 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.820 -21.132 -1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.924 -20.384 -3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.023 -21.380 -2.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.152 -19.766 -3.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.072 -20.128 -1.535 1.00 0.00 H new ATOM 479 N SER A 30 5.973 -14.833 -4.668 1.00 0.00 N ATOM 480 CA SER A 30 5.609 -14.769 -6.073 1.00 0.00 C ATOM 481 C SER A 30 6.435 -13.692 -6.771 1.00 0.00 C ATOM 482 O SER A 30 6.956 -13.903 -7.871 1.00 0.00 O ATOM 483 CB SER A 30 4.101 -14.482 -6.237 1.00 0.00 C ATOM 484 OG SER A 30 3.723 -14.446 -7.604 1.00 0.00 O ATOM 0 H SER A 30 5.242 -14.514 -4.032 1.00 0.00 H new ATOM 0 HA SER A 30 5.820 -15.735 -6.533 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.525 -15.250 -5.720 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.858 -13.529 -5.766 1.00 0.00 H new ATOM 0 HG SER A 30 2.763 -14.264 -7.673 1.00 0.00 H new ATOM 490 N GLU A 31 6.582 -12.553 -6.106 1.00 0.00 N ATOM 491 CA GLU A 31 7.339 -11.439 -6.646 1.00 0.00 C ATOM 492 C GLU A 31 8.814 -11.809 -6.786 1.00 0.00 C ATOM 493 O GLU A 31 9.376 -11.740 -7.884 1.00 0.00 O ATOM 494 CB GLU A 31 7.173 -10.195 -5.769 1.00 0.00 C ATOM 495 CG GLU A 31 5.733 -9.709 -5.668 1.00 0.00 C ATOM 496 CD GLU A 31 5.595 -8.437 -4.868 1.00 0.00 C ATOM 497 OE1 GLU A 31 5.440 -8.517 -3.629 1.00 0.00 O ATOM 498 OE2 GLU A 31 5.636 -7.340 -5.476 1.00 0.00 O ATOM 0 H GLU A 31 6.182 -12.379 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 31 6.949 -11.209 -7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.545 -10.414 -4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.791 -9.392 -6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.339 -9.545 -6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.124 -10.488 -5.210 1.00 0.00 H new ATOM 505 N ARG A 32 9.433 -12.214 -5.680 1.00 0.00 N ATOM 506 CA ARG A 32 10.834 -12.618 -5.682 1.00 0.00 C ATOM 507 C ARG A 32 11.065 -13.773 -4.717 1.00 0.00 C ATOM 508 O ARG A 32 10.903 -13.622 -3.505 1.00 0.00 O ATOM 509 CB ARG A 32 11.763 -11.452 -5.314 1.00 0.00 C ATOM 510 CG ARG A 32 11.818 -10.342 -6.349 1.00 0.00 C ATOM 511 CD ARG A 32 13.030 -9.456 -6.141 1.00 0.00 C ATOM 512 NE ARG A 32 14.282 -10.206 -6.289 1.00 0.00 N ATOM 513 CZ ARG A 32 15.469 -9.792 -5.838 1.00 0.00 C ATOM 514 NH1 ARG A 32 15.579 -8.614 -5.231 1.00 0.00 N ATOM 515 NH2 ARG A 32 16.550 -10.551 -6.006 1.00 0.00 N ATOM 0 H ARG A 32 8.982 -12.271 -4.767 1.00 0.00 H new ATOM 0 HA ARG A 32 11.071 -12.940 -6.696 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.437 -11.030 -4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.770 -11.840 -5.162 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.849 -10.775 -7.349 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.911 -9.741 -6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.009 -8.637 -6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.988 -9.010 -5.147 1.00 0.00 H new ATOM 0 HE ARG A 32 14.243 -11.105 -6.769 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.756 -8.024 -5.109 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.487 -8.300 -4.887 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.473 -11.451 -6.480 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.455 -10.233 -5.661 1.00 0.00 H new ATOM 529 N HIS A 33 11.471 -14.923 -5.254 1.00 0.00 N ATOM 530 CA HIS A 33 11.728 -16.110 -4.430 1.00 0.00 C ATOM 531 C HIS A 33 12.941 -15.898 -3.524 1.00 0.00 C ATOM 532 O HIS A 33 13.112 -16.593 -2.520 1.00 0.00 O ATOM 533 CB HIS A 33 11.918 -17.376 -5.298 1.00 0.00 C ATOM 534 CG HIS A 33 13.109 -17.340 -6.223 1.00 0.00 C ATOM 535 ND1 HIS A 33 14.413 -17.476 -5.788 1.00 0.00 N ATOM 536 CD2 HIS A 33 13.182 -17.181 -7.565 1.00 0.00 C ATOM 537 CE1 HIS A 33 15.228 -17.398 -6.824 1.00 0.00 C ATOM 538 NE2 HIS A 33 14.510 -17.221 -7.908 1.00 0.00 N ATOM 0 H HIS A 33 11.629 -15.061 -6.252 1.00 0.00 H new ATOM 0 HA HIS A 33 10.850 -16.263 -3.802 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.014 -18.239 -4.639 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.018 -17.528 -5.894 1.00 0.00 H new ATOM 0 HD2 HIS A 33 12.350 -17.047 -8.240 1.00 0.00 H new ATOM 0 HE1 HIS A 33 16.305 -17.468 -6.786 1.00 0.00 H new ATOM 0 HE2 HIS A 33 14.880 -17.128 -8.854 1.00 0.00 H new ATOM 546 N ASP A 34 13.783 -14.947 -3.892 1.00 0.00 N ATOM 547 CA ASP A 34 14.967 -14.616 -3.110 1.00 0.00 C ATOM 548 C ASP A 34 14.556 -13.966 -1.804 1.00 0.00 C ATOM 549 O ASP A 34 15.069 -14.296 -0.735 1.00 0.00 O ATOM 550 CB ASP A 34 15.873 -13.661 -3.891 1.00 0.00 C ATOM 551 CG ASP A 34 16.255 -14.195 -5.248 1.00 0.00 C ATOM 552 OD1 ASP A 34 17.389 -14.688 -5.401 1.00 0.00 O ATOM 553 OD2 ASP A 34 15.422 -14.114 -6.176 1.00 0.00 O ATOM 0 H ASP A 34 13.668 -14.385 -4.735 1.00 0.00 H new ATOM 0 HA ASP A 34 15.515 -15.535 -2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.366 -12.704 -4.012 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.777 -13.471 -3.313 1.00 0.00 H new ATOM 558 N HIS A 35 13.597 -13.054 -1.897 1.00 0.00 N ATOM 559 CA HIS A 35 13.107 -12.339 -0.725 1.00 0.00 C ATOM 560 C HIS A 35 12.261 -13.279 0.134 1.00 0.00 C ATOM 561 O HIS A 35 12.078 -13.047 1.317 1.00 0.00 O ATOM 562 CB HIS A 35 12.300 -11.083 -1.135 1.00 0.00 C ATOM 563 CG HIS A 35 12.093 -10.075 -0.026 1.00 0.00 C ATOM 564 ND1 HIS A 35 11.453 -8.869 -0.223 1.00 0.00 N ATOM 565 CD2 HIS A 35 12.434 -10.097 1.287 1.00 0.00 C ATOM 566 CE1 HIS A 35 11.408 -8.201 0.917 1.00 0.00 C ATOM 567 NE2 HIS A 35 11.992 -8.922 1.848 1.00 0.00 N ATOM 0 H HIS A 35 13.143 -12.792 -2.772 1.00 0.00 H new ATOM 0 HA HIS A 35 13.961 -11.999 -0.139 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.813 -10.592 -1.962 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.325 -11.399 -1.507 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.957 -10.892 1.798 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.966 -7.226 1.059 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.100 -8.654 2.826 1.00 0.00 H new ATOM 575 N ASP A 36 11.760 -14.343 -0.485 1.00 0.00 N ATOM 576 CA ASP A 36 10.977 -15.372 0.230 1.00 0.00 C ATOM 577 C ASP A 36 11.778 -15.948 1.398 1.00 0.00 C ATOM 578 O ASP A 36 11.322 -15.942 2.539 1.00 0.00 O ATOM 579 CB ASP A 36 10.543 -16.503 -0.732 1.00 0.00 C ATOM 580 CG ASP A 36 9.994 -17.727 -0.015 1.00 0.00 C ATOM 581 OD1 ASP A 36 8.858 -17.679 0.476 1.00 0.00 O ATOM 582 OD2 ASP A 36 10.698 -18.762 0.023 1.00 0.00 O ATOM 0 H ASP A 36 11.877 -14.525 -1.482 1.00 0.00 H new ATOM 0 HA ASP A 36 10.081 -14.895 0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.784 -16.119 -1.413 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.397 -16.800 -1.341 1.00 0.00 H new ATOM 587 N LYS A 37 12.987 -16.414 1.112 1.00 0.00 N ATOM 588 CA LYS A 37 13.839 -16.985 2.150 1.00 0.00 C ATOM 589 C LYS A 37 14.493 -15.896 2.972 1.00 0.00 C ATOM 590 O LYS A 37 14.654 -16.032 4.182 1.00 0.00 O ATOM 591 CB LYS A 37 14.913 -17.896 1.546 1.00 0.00 C ATOM 592 CG LYS A 37 14.361 -19.109 0.824 1.00 0.00 C ATOM 593 CD LYS A 37 13.513 -19.964 1.750 1.00 0.00 C ATOM 594 CE LYS A 37 12.986 -21.192 1.038 1.00 0.00 C ATOM 595 NZ LYS A 37 12.262 -20.834 -0.203 1.00 0.00 N ATOM 0 H LYS A 37 13.398 -16.409 0.179 1.00 0.00 H new ATOM 0 HA LYS A 37 13.202 -17.584 2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.517 -17.315 0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.579 -18.232 2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.761 -18.787 -0.027 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.183 -19.704 0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.106 -20.268 2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.678 -19.375 2.129 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.815 -21.857 0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.320 -21.741 1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.428 -21.447 -0.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.958 -19.841 -0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.891 -20.963 -1.021 1.00 0.00 H new ATOM 609 N LYS A 38 14.865 -14.814 2.308 1.00 0.00 N ATOM 610 CA LYS A 38 15.527 -13.694 2.979 1.00 0.00 C ATOM 611 C LYS A 38 14.620 -13.066 4.041 1.00 0.00 C ATOM 612 O LYS A 38 15.079 -12.710 5.126 1.00 0.00 O ATOM 613 CB LYS A 38 15.977 -12.631 1.963 1.00 0.00 C ATOM 614 CG LYS A 38 16.800 -11.504 2.565 1.00 0.00 C ATOM 615 CD LYS A 38 18.052 -12.029 3.247 1.00 0.00 C ATOM 616 CE LYS A 38 18.969 -10.895 3.671 1.00 0.00 C ATOM 617 NZ LYS A 38 19.473 -10.132 2.500 1.00 0.00 N ATOM 0 H LYS A 38 14.723 -14.682 1.307 1.00 0.00 H new ATOM 0 HA LYS A 38 16.411 -14.089 3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 38 16.562 -13.116 1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.095 -12.206 1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 38 17.080 -10.799 1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.194 -10.956 3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 38 17.772 -12.619 4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 38 18.585 -12.696 2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 38 18.432 -10.223 4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 38 19.811 -11.298 4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 20.319 -9.594 2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 19.716 -10.792 1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 18.737 -9.475 2.171 1.00 0.00 H new ATOM 631 N GLU A 39 13.335 -12.948 3.732 1.00 0.00 N ATOM 632 CA GLU A 39 12.394 -12.357 4.675 1.00 0.00 C ATOM 633 C GLU A 39 12.056 -13.351 5.762 1.00 0.00 C ATOM 634 O GLU A 39 11.977 -12.993 6.926 1.00 0.00 O ATOM 635 CB GLU A 39 11.110 -11.886 3.989 1.00 0.00 C ATOM 636 CG GLU A 39 10.274 -10.962 4.853 1.00 0.00 C ATOM 637 CD GLU A 39 11.004 -9.677 5.174 1.00 0.00 C ATOM 638 OE1 GLU A 39 11.004 -8.767 4.319 1.00 0.00 O ATOM 639 OE2 GLU A 39 11.587 -9.564 6.271 1.00 0.00 O ATOM 0 H GLU A 39 12.924 -13.249 2.848 1.00 0.00 H new ATOM 0 HA GLU A 39 12.877 -11.482 5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.368 -11.372 3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.513 -12.755 3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.341 -10.731 4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.011 -11.471 5.780 1.00 0.00 H new ATOM 646 N ALA A 40 11.862 -14.608 5.372 1.00 0.00 N ATOM 647 CA ALA A 40 11.557 -15.666 6.337 1.00 0.00 C ATOM 648 C ALA A 40 12.656 -15.753 7.383 1.00 0.00 C ATOM 649 O ALA A 40 12.387 -15.863 8.574 1.00 0.00 O ATOM 650 CB ALA A 40 11.381 -17.014 5.641 1.00 0.00 C ATOM 0 H ALA A 40 11.910 -14.920 4.402 1.00 0.00 H new ATOM 0 HA ALA A 40 10.617 -15.416 6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.155 -17.780 6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.561 -16.950 4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.300 -17.276 5.117 1.00 0.00 H new ATOM 656 N GLU A 41 13.895 -15.680 6.921 1.00 0.00 N ATOM 657 CA GLU A 41 15.054 -15.724 7.808 1.00 0.00 C ATOM 658 C GLU A 41 15.089 -14.489 8.712 1.00 0.00 C ATOM 659 O GLU A 41 15.231 -14.605 9.927 1.00 0.00 O ATOM 660 CB GLU A 41 16.357 -15.840 6.993 1.00 0.00 C ATOM 661 CG GLU A 41 17.617 -15.897 7.836 1.00 0.00 C ATOM 662 CD GLU A 41 18.857 -16.109 6.998 1.00 0.00 C ATOM 663 OE1 GLU A 41 19.364 -17.257 6.957 1.00 0.00 O ATOM 664 OE2 GLU A 41 19.323 -15.138 6.366 1.00 0.00 O ATOM 0 H GLU A 41 14.127 -15.589 5.932 1.00 0.00 H new ATOM 0 HA GLU A 41 14.968 -16.607 8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 41 16.307 -16.736 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.425 -14.989 6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.716 -14.970 8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.529 -16.705 8.563 1.00 0.00 H new ATOM 671 N ARG A 42 14.930 -13.312 8.113 1.00 0.00 N ATOM 672 CA ARG A 42 14.949 -12.054 8.870 1.00 0.00 C ATOM 673 C ARG A 42 13.811 -12.004 9.889 1.00 0.00 C ATOM 674 O ARG A 42 14.019 -11.663 11.052 1.00 0.00 O ATOM 675 CB ARG A 42 14.874 -10.833 7.930 1.00 0.00 C ATOM 676 CG ARG A 42 14.845 -9.500 8.664 1.00 0.00 C ATOM 677 CD ARG A 42 15.076 -8.331 7.721 1.00 0.00 C ATOM 678 NE ARG A 42 14.010 -8.166 6.728 1.00 0.00 N ATOM 679 CZ ARG A 42 13.996 -7.188 5.813 1.00 0.00 C ATOM 680 NH1 ARG A 42 15.000 -6.316 5.755 1.00 0.00 N ATOM 681 NH2 ARG A 42 12.990 -7.087 4.958 1.00 0.00 N ATOM 0 H ARG A 42 14.787 -13.198 7.110 1.00 0.00 H new ATOM 0 HA ARG A 42 15.896 -12.016 9.408 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.732 -10.849 7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.981 -10.916 7.310 1.00 0.00 H new ATOM 0 HG2 ARG A 42 13.883 -9.380 9.162 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.609 -9.496 9.441 1.00 0.00 H new ATOM 0 HD2 ARG A 42 15.164 -7.415 8.305 1.00 0.00 H new ATOM 0 HD3 ARG A 42 16.025 -8.472 7.204 1.00 0.00 H new ATOM 0 HE ARG A 42 13.237 -8.832 6.734 1.00 0.00 H new ATOM 0 HH11 ARG A 42 15.780 -6.393 6.407 1.00 0.00 H new ATOM 0 HH12 ARG A 42 14.989 -5.571 5.058 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.221 -7.756 4.994 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.984 -6.340 4.263 1.00 0.00 H new ATOM 695 N LYS A 43 12.620 -12.353 9.443 1.00 0.00 N ATOM 696 CA LYS A 43 11.439 -12.348 10.304 1.00 0.00 C ATOM 697 C LYS A 43 11.589 -13.353 11.444 1.00 0.00 C ATOM 698 O LYS A 43 11.258 -13.054 12.598 1.00 0.00 O ATOM 699 CB LYS A 43 10.172 -12.642 9.489 1.00 0.00 C ATOM 700 CG LYS A 43 8.905 -12.690 10.314 1.00 0.00 C ATOM 701 CD LYS A 43 7.697 -12.934 9.437 1.00 0.00 C ATOM 702 CE LYS A 43 6.464 -13.223 10.267 1.00 0.00 C ATOM 703 NZ LYS A 43 6.093 -12.089 11.137 1.00 0.00 N ATOM 0 H LYS A 43 12.438 -12.647 8.483 1.00 0.00 H new ATOM 0 HA LYS A 43 11.345 -11.353 10.740 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.063 -11.878 8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.296 -13.596 8.977 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.983 -13.480 11.061 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.783 -11.751 10.855 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.519 -12.061 8.809 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.893 -13.773 8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.630 -13.457 9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.641 -14.106 10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.883 -12.439 12.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.882 -11.413 11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.252 -11.615 10.750 1.00 0.00 H new ATOM 717 N ALA A 44 12.119 -14.531 11.126 1.00 0.00 N ATOM 718 CA ALA A 44 12.322 -15.575 12.132 1.00 0.00 C ATOM 719 C ALA A 44 13.328 -15.130 13.185 1.00 0.00 C ATOM 720 O ALA A 44 13.315 -15.614 14.305 1.00 0.00 O ATOM 721 CB ALA A 44 12.773 -16.888 11.496 1.00 0.00 C ATOM 0 H ALA A 44 12.415 -14.788 10.184 1.00 0.00 H new ATOM 0 HA ALA A 44 11.361 -15.746 12.617 1.00 0.00 H new ATOM 0 HB1 ALA A 44 12.914 -17.639 12.273 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.014 -17.231 10.793 1.00 0.00 H new ATOM 0 HB3 ALA A 44 13.714 -16.732 10.968 1.00 0.00 H new ATOM 727 N LEU A 45 14.208 -14.228 12.819 1.00 0.00 N ATOM 728 CA LEU A 45 15.185 -13.705 13.772 1.00 0.00 C ATOM 729 C LEU A 45 14.649 -12.485 14.496 1.00 0.00 C ATOM 730 O LEU A 45 15.176 -12.083 15.536 1.00 0.00 O ATOM 731 CB LEU A 45 16.538 -13.386 13.105 1.00 0.00 C ATOM 732 CG LEU A 45 17.540 -14.545 13.018 1.00 0.00 C ATOM 733 CD1 LEU A 45 16.928 -15.751 12.338 1.00 0.00 C ATOM 734 CD2 LEU A 45 18.799 -14.101 12.287 1.00 0.00 C ATOM 0 H LEU A 45 14.276 -13.838 11.879 1.00 0.00 H new ATOM 0 HA LEU A 45 15.359 -14.493 14.504 1.00 0.00 H new ATOM 0 HB2 LEU A 45 16.345 -13.023 12.095 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.006 -12.569 13.653 1.00 0.00 H new ATOM 0 HG LEU A 45 17.808 -14.836 14.034 1.00 0.00 H new ATOM 0 HD11 LEU A 45 17.663 -16.555 12.292 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.059 -16.086 12.904 1.00 0.00 H new ATOM 0 HD13 LEU A 45 16.621 -15.482 11.327 1.00 0.00 H new ATOM 0 HD21 LEU A 45 19.501 -14.933 12.233 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.540 -13.779 11.279 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.259 -13.273 12.825 1.00 0.00 H new ATOM 746 N GLU A 46 13.607 -11.902 13.954 1.00 0.00 N ATOM 747 CA GLU A 46 13.006 -10.724 14.548 1.00 0.00 C ATOM 748 C GLU A 46 11.975 -11.120 15.601 1.00 0.00 C ATOM 749 O GLU A 46 11.979 -10.594 16.717 1.00 0.00 O ATOM 750 CB GLU A 46 12.344 -9.846 13.470 1.00 0.00 C ATOM 751 CG GLU A 46 11.874 -8.493 13.980 1.00 0.00 C ATOM 752 CD GLU A 46 13.023 -7.576 14.340 1.00 0.00 C ATOM 753 OE1 GLU A 46 13.393 -6.729 13.502 1.00 0.00 O ATOM 754 OE2 GLU A 46 13.560 -7.693 15.460 1.00 0.00 O ATOM 0 H GLU A 46 13.153 -12.223 13.099 1.00 0.00 H new ATOM 0 HA GLU A 46 13.797 -10.149 15.029 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.053 -9.690 12.657 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.492 -10.382 13.052 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.258 -8.016 13.218 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.242 -8.639 14.856 1.00 0.00 H new ATOM 761 N ASP A 47 11.109 -12.059 15.252 1.00 0.00 N ATOM 762 CA ASP A 47 10.031 -12.464 16.154 1.00 0.00 C ATOM 763 C ASP A 47 10.058 -13.968 16.462 1.00 0.00 C ATOM 764 O ASP A 47 9.627 -14.384 17.534 1.00 0.00 O ATOM 765 CB ASP A 47 8.680 -12.076 15.543 1.00 0.00 C ATOM 766 CG ASP A 47 7.557 -12.020 16.560 1.00 0.00 C ATOM 767 OD1 ASP A 47 6.682 -12.913 16.549 1.00 0.00 O ATOM 768 OD2 ASP A 47 7.526 -11.057 17.360 1.00 0.00 O ATOM 0 H ASP A 47 11.127 -12.554 14.360 1.00 0.00 H new ATOM 0 HA ASP A 47 10.178 -11.942 17.100 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.773 -11.103 15.061 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.421 -12.794 14.765 1.00 0.00 H new ATOM 773 N LYS A 48 10.616 -14.765 15.536 1.00 0.00 N ATOM 774 CA LYS A 48 10.638 -16.240 15.630 1.00 0.00 C ATOM 775 C LYS A 48 9.271 -16.865 16.030 1.00 0.00 C ATOM 776 O LYS A 48 8.484 -17.223 15.163 1.00 0.00 O ATOM 777 CB LYS A 48 11.804 -16.749 16.513 1.00 0.00 C ATOM 778 CG LYS A 48 11.961 -18.266 16.509 1.00 0.00 C ATOM 779 CD LYS A 48 13.148 -18.720 17.349 1.00 0.00 C ATOM 780 CE LYS A 48 14.455 -18.081 16.886 1.00 0.00 C ATOM 781 NZ LYS A 48 14.803 -18.441 15.484 1.00 0.00 N ATOM 0 H LYS A 48 11.068 -14.405 14.695 1.00 0.00 H new ATOM 0 HA LYS A 48 10.825 -16.595 14.616 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.733 -16.296 16.168 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.646 -16.412 17.537 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.050 -18.726 16.891 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.088 -18.614 15.484 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.971 -18.466 18.394 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.236 -19.805 17.295 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.375 -16.997 16.970 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.262 -18.393 17.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.731 -18.038 15.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.841 -19.476 15.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.081 -18.061 14.839 1.00 0.00 H new ATOM 795 N LEU A 49 8.998 -16.991 17.333 1.00 0.00 N ATOM 796 CA LEU A 49 7.759 -17.595 17.805 1.00 0.00 C ATOM 797 C LEU A 49 7.226 -16.837 19.017 1.00 0.00 C ATOM 798 O LEU A 49 6.381 -17.346 19.754 1.00 0.00 O ATOM 799 CB LEU A 49 7.994 -19.068 18.187 1.00 0.00 C ATOM 800 CG LEU A 49 8.393 -20.016 17.050 1.00 0.00 C ATOM 801 CD1 LEU A 49 8.778 -21.377 17.603 1.00 0.00 C ATOM 802 CD2 LEU A 49 7.259 -20.158 16.045 1.00 0.00 C ATOM 0 H LEU A 49 9.623 -16.680 18.077 1.00 0.00 H new ATOM 0 HA LEU A 49 7.026 -17.544 17.000 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.773 -19.102 18.949 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.082 -19.451 18.646 1.00 0.00 H new ATOM 0 HG LEU A 49 9.256 -19.590 16.539 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.058 -22.037 16.782 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.621 -21.267 18.285 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.931 -21.805 18.139 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.563 -20.835 15.247 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.378 -20.560 16.545 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.023 -19.181 15.622 1.00 0.00 H new ATOM 814 N ALA A 50 7.718 -15.621 19.213 1.00 0.00 N ATOM 815 CA ALA A 50 7.325 -14.803 20.356 1.00 0.00 C ATOM 816 C ALA A 50 5.847 -14.432 20.304 1.00 0.00 C ATOM 817 O ALA A 50 5.424 -13.615 19.485 1.00 0.00 O ATOM 818 CB ALA A 50 8.183 -13.548 20.431 1.00 0.00 C ATOM 0 H ALA A 50 8.394 -15.176 18.592 1.00 0.00 H new ATOM 0 HA ALA A 50 7.485 -15.397 21.256 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.877 -12.949 21.289 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.230 -13.829 20.540 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.057 -12.966 19.518 1.00 0.00 H new ATOM 824 N ASP A 51 5.062 -15.047 21.166 1.00 0.00 N ATOM 825 CA ASP A 51 3.643 -14.758 21.233 1.00 0.00 C ATOM 826 C ASP A 51 3.250 -14.355 22.644 1.00 0.00 C ATOM 827 O ASP A 51 3.448 -15.108 23.600 1.00 0.00 O ATOM 828 CB ASP A 51 2.792 -15.952 20.739 1.00 0.00 C ATOM 829 CG ASP A 51 2.854 -17.169 21.648 1.00 0.00 C ATOM 830 OD1 ASP A 51 3.825 -17.948 21.547 1.00 0.00 O ATOM 831 OD2 ASP A 51 1.922 -17.361 22.458 1.00 0.00 O ATOM 0 H ASP A 51 5.383 -15.751 21.831 1.00 0.00 H new ATOM 0 HA ASP A 51 3.441 -13.921 20.565 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.754 -15.632 20.646 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.128 -16.237 19.742 1.00 0.00 H new ATOM 836 N TYR A 52 2.713 -13.156 22.762 1.00 0.00 N ATOM 837 CA TYR A 52 2.287 -12.595 24.035 1.00 0.00 C ATOM 838 C TYR A 52 1.752 -11.200 23.804 1.00 0.00 C ATOM 839 O TYR A 52 0.542 -10.996 23.969 1.00 0.00 O ATOM 840 CB TYR A 52 3.439 -12.550 25.053 1.00 0.00 C ATOM 841 CG TYR A 52 3.028 -12.019 26.411 1.00 0.00 C ATOM 842 CD1 TYR A 52 2.233 -12.776 27.257 1.00 0.00 C ATOM 843 CD2 TYR A 52 3.437 -10.762 26.844 1.00 0.00 C ATOM 844 CE1 TYR A 52 1.857 -12.300 28.497 1.00 0.00 C ATOM 845 CE2 TYR A 52 3.063 -10.279 28.084 1.00 0.00 C ATOM 846 CZ TYR A 52 2.273 -11.055 28.906 1.00 0.00 C ATOM 847 OH TYR A 52 1.897 -10.581 30.146 1.00 0.00 O ATOM 848 OXT TYR A 52 2.549 -10.324 23.402 1.00 0.00 O ATOM 0 H TYR A 52 2.557 -12.534 21.968 1.00 0.00 H new ATOM 0 HA TYR A 52 1.509 -13.236 24.449 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.846 -13.554 25.173 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.240 -11.926 24.656 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.902 -13.754 26.941 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.056 -10.154 26.201 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.238 -12.904 29.144 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.387 -9.301 28.407 1.00 0.00 H new ATOM 0 HH TYR A 52 2.274 -9.687 30.283 1.00 0.00 H new TER 858 TYR A 52