USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=12 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 16 LYS NZ :NH3+ 143:sc= 0.0594 (180deg=-0.204) USER MOD Set 1.2: A 20 HIS : no HE2:sc= -0.541 K(o=-0.48,f=-3.9) USER MOD Single : A 1 GLY N :NH3+ 172:sc= 0.581 (180deg=0.473) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0268) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 1.17 (180deg=1.11) USER MOD Single : A 30 SER OG : rot 137:sc= 1.19 USER MOD Single : A 33 HIS : no HD1:sc= -0.614 X(o=-0.61,f=-0.29) USER MOD Single : A 35 HIS : no HD1:sc=-0.000613 X(o=-0.00061,f=-0.085) USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= 1.13 (180deg=0.683) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= -0.0176 (180deg=-0.103) USER MOD Single : A 48 LYS NZ :NH3+ -114:sc= 0.0129 (180deg=-0.0419) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.644 -9.851 15.531 1.00 0.00 N ATOM 2 CA GLY A 1 -7.810 -8.970 15.354 1.00 0.00 C ATOM 3 C GLY A 1 -7.840 -8.357 13.977 1.00 0.00 C ATOM 4 O GLY A 1 -7.722 -9.060 12.973 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.580 -10.147 16.526 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.748 -10.690 14.926 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.778 -9.339 15.266 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.725 -9.539 15.519 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.786 -8.180 16.104 1.00 0.00 H new ATOM 10 N SER A 2 -7.990 -7.054 13.923 1.00 0.00 N ATOM 11 CA SER A 2 -8.006 -6.347 12.664 1.00 0.00 C ATOM 12 C SER A 2 -6.682 -5.626 12.428 1.00 0.00 C ATOM 13 O SER A 2 -6.350 -5.281 11.296 1.00 0.00 O ATOM 14 CB SER A 2 -9.165 -5.355 12.637 1.00 0.00 C ATOM 15 OG SER A 2 -10.403 -6.021 12.836 1.00 0.00 O ATOM 0 H SER A 2 -8.103 -6.458 14.743 1.00 0.00 H new ATOM 0 HA SER A 2 -8.143 -7.073 11.862 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.023 -4.602 13.412 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.178 -4.830 11.682 1.00 0.00 H new ATOM 0 HG SER A 2 -11.133 -5.367 12.817 1.00 0.00 H new ATOM 21 N VAL A 3 -5.930 -5.398 13.510 1.00 0.00 N ATOM 22 CA VAL A 3 -4.634 -4.712 13.431 1.00 0.00 C ATOM 23 C VAL A 3 -3.686 -5.345 12.404 1.00 0.00 C ATOM 24 O VAL A 3 -2.955 -4.632 11.713 1.00 0.00 O ATOM 25 CB VAL A 3 -3.928 -4.615 14.808 1.00 0.00 C ATOM 26 CG1 VAL A 3 -4.658 -3.633 15.709 1.00 0.00 C ATOM 27 CG2 VAL A 3 -3.833 -5.981 15.474 1.00 0.00 C ATOM 0 H VAL A 3 -6.197 -5.679 14.454 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.870 -3.702 13.094 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.914 -4.251 14.643 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.150 -3.576 16.672 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.664 -2.648 15.243 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.684 -3.970 15.859 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.333 -5.882 16.438 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.835 -6.383 15.624 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.262 -6.657 14.837 1.00 0.00 H new ATOM 37 N GLU A 4 -3.705 -6.667 12.290 1.00 0.00 N ATOM 38 CA GLU A 4 -2.859 -7.332 11.312 1.00 0.00 C ATOM 39 C GLU A 4 -3.420 -7.157 9.903 1.00 0.00 C ATOM 40 O GLU A 4 -2.671 -6.894 8.962 1.00 0.00 O ATOM 41 CB GLU A 4 -2.645 -8.827 11.637 1.00 0.00 C ATOM 42 CG GLU A 4 -3.915 -9.616 11.928 1.00 0.00 C ATOM 43 CD GLU A 4 -4.283 -9.602 13.394 1.00 0.00 C ATOM 44 OE1 GLU A 4 -4.007 -10.604 14.088 1.00 0.00 O ATOM 45 OE2 GLU A 4 -4.841 -8.595 13.861 1.00 0.00 O ATOM 0 H GLU A 4 -4.286 -7.289 12.852 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.880 -6.854 11.360 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.130 -9.295 10.798 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.983 -8.904 12.500 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.738 -9.201 11.346 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.781 -10.647 11.600 1.00 0.00 H new ATOM 52 N LYS A 5 -4.742 -7.308 9.766 1.00 0.00 N ATOM 53 CA LYS A 5 -5.428 -7.143 8.475 1.00 0.00 C ATOM 54 C LYS A 5 -4.900 -8.175 7.455 1.00 0.00 C ATOM 55 O LYS A 5 -4.884 -7.934 6.247 1.00 0.00 O ATOM 56 CB LYS A 5 -5.253 -5.693 7.955 1.00 0.00 C ATOM 57 CG LYS A 5 -6.080 -5.359 6.714 1.00 0.00 C ATOM 58 CD LYS A 5 -5.891 -3.913 6.286 1.00 0.00 C ATOM 59 CE LYS A 5 -6.475 -3.660 4.899 1.00 0.00 C ATOM 60 NZ LYS A 5 -7.930 -3.963 4.827 1.00 0.00 N ATOM 0 H LYS A 5 -5.364 -7.546 10.538 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.494 -7.322 8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.522 -5.000 8.752 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.200 -5.526 7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.794 -6.021 5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.135 -5.543 6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.369 -3.253 7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.829 -3.669 6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.311 -2.618 4.624 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.944 -4.270 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.298 -3.679 3.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.079 -4.983 4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.431 -3.438 5.572 1.00 0.00 H new ATOM 74 N LEU A 6 -4.468 -9.329 7.977 1.00 0.00 N ATOM 75 CA LEU A 6 -3.960 -10.435 7.156 1.00 0.00 C ATOM 76 C LEU A 6 -2.650 -10.052 6.460 1.00 0.00 C ATOM 77 O LEU A 6 -2.319 -10.579 5.398 1.00 0.00 O ATOM 78 CB LEU A 6 -5.011 -10.872 6.117 1.00 0.00 C ATOM 79 CG LEU A 6 -6.375 -11.293 6.682 1.00 0.00 C ATOM 80 CD1 LEU A 6 -7.328 -11.666 5.558 1.00 0.00 C ATOM 81 CD2 LEU A 6 -6.220 -12.449 7.656 1.00 0.00 C ATOM 0 H LEU A 6 -4.461 -9.522 8.978 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.758 -11.275 7.820 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.167 -10.050 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.603 -11.705 5.544 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.796 -10.445 7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.289 -11.961 5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.468 -10.808 4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.911 -12.496 4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.199 -12.731 8.044 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.774 -13.301 7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.576 -12.146 8.481 1.00 0.00 H new ATOM 93 N THR A 7 -1.906 -9.134 7.063 1.00 0.00 N ATOM 94 CA THR A 7 -0.659 -8.712 6.544 1.00 0.00 C ATOM 95 C THR A 7 0.255 -8.346 7.727 1.00 0.00 C ATOM 96 O THR A 7 0.144 -7.256 8.288 1.00 0.00 O ATOM 97 CB THR A 7 -0.847 -7.451 5.660 1.00 0.00 C ATOM 98 OG1 THR A 7 -1.832 -7.715 4.646 1.00 0.00 O ATOM 99 CG2 THR A 7 0.465 -7.057 4.994 1.00 0.00 C ATOM 0 H THR A 7 -2.174 -8.672 7.932 1.00 0.00 H new ATOM 0 HA THR A 7 -0.225 -9.511 5.943 1.00 0.00 H new ATOM 0 HB THR A 7 -1.178 -6.631 6.297 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.951 -6.917 4.090 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.309 -6.171 4.379 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.211 -6.842 5.759 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.815 -7.877 4.367 1.00 0.00 H new ATOM 107 N ALA A 8 1.138 -9.247 8.111 1.00 0.00 N ATOM 108 CA ALA A 8 2.117 -8.943 9.143 1.00 0.00 C ATOM 109 C ALA A 8 3.428 -8.590 8.495 1.00 0.00 C ATOM 110 O ALA A 8 4.286 -7.957 9.103 1.00 0.00 O ATOM 111 CB ALA A 8 2.287 -10.115 10.110 1.00 0.00 C ATOM 0 H ALA A 8 1.200 -10.191 7.728 1.00 0.00 H new ATOM 0 HA ALA A 8 1.762 -8.093 9.726 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.025 -9.856 10.869 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.333 -10.332 10.591 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.624 -10.994 9.561 1.00 0.00 H new ATOM 117 N ASP A 9 3.559 -8.988 7.229 1.00 0.00 N ATOM 118 CA ASP A 9 4.750 -8.718 6.422 1.00 0.00 C ATOM 119 C ASP A 9 5.058 -7.237 6.430 1.00 0.00 C ATOM 120 O ASP A 9 6.214 -6.828 6.375 1.00 0.00 O ATOM 121 CB ASP A 9 4.534 -9.181 4.979 1.00 0.00 C ATOM 122 CG ASP A 9 4.097 -10.624 4.890 1.00 0.00 C ATOM 123 OD1 ASP A 9 4.966 -11.513 4.862 1.00 0.00 O ATOM 124 OD2 ASP A 9 2.877 -10.875 4.858 1.00 0.00 O ATOM 0 H ASP A 9 2.838 -9.510 6.731 1.00 0.00 H new ATOM 0 HA ASP A 9 5.588 -9.267 6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.782 -8.548 4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.459 -9.050 4.417 1.00 0.00 H new ATOM 129 N ALA A 10 4.001 -6.443 6.478 1.00 0.00 N ATOM 130 CA ALA A 10 4.122 -4.977 6.560 1.00 0.00 C ATOM 131 C ALA A 10 5.053 -4.547 7.705 1.00 0.00 C ATOM 132 O ALA A 10 5.873 -3.645 7.545 1.00 0.00 O ATOM 133 CB ALA A 10 2.750 -4.330 6.736 1.00 0.00 C ATOM 0 H ALA A 10 3.039 -6.782 6.462 1.00 0.00 H new ATOM 0 HA ALA A 10 4.559 -4.637 5.621 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.863 -3.247 6.794 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.116 -4.583 5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.290 -4.697 7.654 1.00 0.00 H new ATOM 139 N GLU A 11 4.945 -5.220 8.844 1.00 0.00 N ATOM 140 CA GLU A 11 5.758 -4.884 10.012 1.00 0.00 C ATOM 141 C GLU A 11 7.130 -5.547 9.924 1.00 0.00 C ATOM 142 O GLU A 11 8.097 -5.085 10.528 1.00 0.00 O ATOM 143 CB GLU A 11 5.045 -5.287 11.305 1.00 0.00 C ATOM 144 CG GLU A 11 3.718 -4.573 11.518 1.00 0.00 C ATOM 145 CD GLU A 11 3.009 -5.026 12.771 1.00 0.00 C ATOM 146 OE1 GLU A 11 3.175 -4.375 13.824 1.00 0.00 O ATOM 147 OE2 GLU A 11 2.284 -6.037 12.715 1.00 0.00 O ATOM 0 H GLU A 11 4.304 -6.001 8.986 1.00 0.00 H new ATOM 0 HA GLU A 11 5.901 -3.804 10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.871 -6.363 11.294 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.700 -5.079 12.151 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.893 -3.498 11.572 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.073 -4.748 10.657 1.00 0.00 H new ATOM 154 N LEU A 12 7.204 -6.625 9.160 1.00 0.00 N ATOM 155 CA LEU A 12 8.473 -7.334 8.943 1.00 0.00 C ATOM 156 C LEU A 12 9.397 -6.475 8.097 1.00 0.00 C ATOM 157 O LEU A 12 10.559 -6.248 8.447 1.00 0.00 O ATOM 158 CB LEU A 12 8.252 -8.700 8.248 1.00 0.00 C ATOM 159 CG LEU A 12 7.871 -9.893 9.150 1.00 0.00 C ATOM 160 CD1 LEU A 12 6.726 -9.547 10.085 1.00 0.00 C ATOM 161 CD2 LEU A 12 7.499 -11.091 8.292 1.00 0.00 C ATOM 0 H LEU A 12 6.405 -7.035 8.676 1.00 0.00 H new ATOM 0 HA LEU A 12 8.925 -7.522 9.917 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.468 -8.577 7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.165 -8.959 7.712 1.00 0.00 H new ATOM 0 HG LEU A 12 8.737 -10.138 9.764 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.487 -10.412 10.703 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.017 -8.713 10.724 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.850 -9.267 9.500 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.231 -11.930 8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.651 -10.835 7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.348 -11.369 7.668 1.00 0.00 H new ATOM 173 N GLN A 13 8.860 -5.977 6.992 1.00 0.00 N ATOM 174 CA GLN A 13 9.611 -5.116 6.092 1.00 0.00 C ATOM 175 C GLN A 13 9.966 -3.807 6.776 1.00 0.00 C ATOM 176 O GLN A 13 10.992 -3.190 6.472 1.00 0.00 O ATOM 177 CB GLN A 13 8.811 -4.834 4.820 1.00 0.00 C ATOM 178 CG GLN A 13 8.498 -6.070 3.999 1.00 0.00 C ATOM 179 CD GLN A 13 7.669 -5.748 2.776 1.00 0.00 C ATOM 180 OE1 GLN A 13 8.204 -5.446 1.708 1.00 0.00 O ATOM 181 NE2 GLN A 13 6.361 -5.805 2.920 1.00 0.00 N ATOM 0 H GLN A 13 7.900 -6.157 6.697 1.00 0.00 H new ATOM 0 HA GLN A 13 10.531 -5.634 5.821 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.876 -4.346 5.093 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.369 -4.131 4.201 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.429 -6.544 3.690 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.964 -6.790 4.619 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.958 -6.059 3.822 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.751 -5.595 2.130 1.00 0.00 H new ATOM 190 N ARG A 14 9.127 -3.387 7.713 1.00 0.00 N ATOM 191 CA ARG A 14 9.380 -2.149 8.423 1.00 0.00 C ATOM 192 C ARG A 14 10.441 -2.341 9.498 1.00 0.00 C ATOM 193 O ARG A 14 11.122 -1.392 9.873 1.00 0.00 O ATOM 194 CB ARG A 14 8.110 -1.555 9.045 1.00 0.00 C ATOM 195 CG ARG A 14 8.334 -0.146 9.565 1.00 0.00 C ATOM 196 CD ARG A 14 7.118 0.425 10.261 1.00 0.00 C ATOM 197 NE ARG A 14 7.338 1.826 10.616 1.00 0.00 N ATOM 198 CZ ARG A 14 7.583 2.272 11.851 1.00 0.00 C ATOM 199 NH1 ARG A 14 7.610 1.430 12.877 1.00 0.00 N ATOM 200 NH2 ARG A 14 7.813 3.563 12.050 1.00 0.00 N ATOM 0 H ARG A 14 8.279 -3.879 7.993 1.00 0.00 H new ATOM 0 HA ARG A 14 9.745 -1.440 7.680 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.313 -1.544 8.301 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.774 -2.193 9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.175 -0.149 10.258 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.609 0.503 8.734 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.247 0.342 9.610 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.901 -0.154 11.159 1.00 0.00 H new ATOM 0 HE ARG A 14 7.302 2.514 9.864 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.443 0.435 12.725 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.798 1.778 13.817 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.802 4.210 11.262 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.001 3.908 12.991 1.00 0.00 H new ATOM 214 N LEU A 15 10.602 -3.567 9.983 1.00 0.00 N ATOM 215 CA LEU A 15 11.599 -3.842 11.008 1.00 0.00 C ATOM 216 C LEU A 15 12.992 -3.645 10.427 1.00 0.00 C ATOM 217 O LEU A 15 13.888 -3.108 11.084 1.00 0.00 O ATOM 218 CB LEU A 15 11.443 -5.270 11.547 1.00 0.00 C ATOM 219 CG LEU A 15 12.289 -5.611 12.772 1.00 0.00 C ATOM 220 CD1 LEU A 15 11.834 -4.799 13.976 1.00 0.00 C ATOM 221 CD2 LEU A 15 12.222 -7.101 13.070 1.00 0.00 C ATOM 0 H LEU A 15 10.060 -4.379 9.686 1.00 0.00 H new ATOM 0 HA LEU A 15 11.453 -3.150 11.838 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.394 -5.432 11.796 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.693 -5.969 10.749 1.00 0.00 H new ATOM 0 HG LEU A 15 13.326 -5.353 12.558 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.447 -5.054 14.840 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.938 -3.736 13.758 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.790 -5.024 14.193 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.831 -7.325 13.946 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.188 -7.387 13.264 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.599 -7.661 12.214 1.00 0.00 H new ATOM 233 N LYS A 16 13.158 -4.066 9.180 1.00 0.00 N ATOM 234 CA LYS A 16 14.420 -3.875 8.472 1.00 0.00 C ATOM 235 C LYS A 16 14.606 -2.388 8.165 1.00 0.00 C ATOM 236 O LYS A 16 15.725 -1.873 8.148 1.00 0.00 O ATOM 237 CB LYS A 16 14.464 -4.712 7.177 1.00 0.00 C ATOM 238 CG LYS A 16 15.762 -4.569 6.394 1.00 0.00 C ATOM 239 CD LYS A 16 15.780 -5.473 5.171 1.00 0.00 C ATOM 240 CE LYS A 16 17.034 -5.255 4.334 1.00 0.00 C ATOM 241 NZ LYS A 16 18.278 -5.469 5.117 1.00 0.00 N ATOM 0 H LYS A 16 12.437 -4.541 8.637 1.00 0.00 H new ATOM 0 HA LYS A 16 15.237 -4.217 9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.317 -5.762 7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.631 -4.419 6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.887 -3.532 6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 16 16.606 -4.812 7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.729 -6.515 5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.897 -5.281 4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.022 -5.935 3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.029 -4.241 3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.994 -5.922 4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.638 -4.553 5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.074 -6.082 5.932 1.00 0.00 H new ATOM 255 N ASN A 17 13.487 -1.699 7.959 1.00 0.00 N ATOM 256 CA ASN A 17 13.505 -0.252 7.706 1.00 0.00 C ATOM 257 C ASN A 17 13.983 0.475 8.953 1.00 0.00 C ATOM 258 O ASN A 17 14.834 1.361 8.881 1.00 0.00 O ATOM 259 CB ASN A 17 12.113 0.263 7.293 1.00 0.00 C ATOM 260 CG ASN A 17 12.089 1.769 7.080 1.00 0.00 C ATOM 261 OD1 ASN A 17 11.843 2.536 8.008 1.00 0.00 O ATOM 262 ND2 ASN A 17 12.332 2.198 5.858 1.00 0.00 N ATOM 0 H ASN A 17 12.555 -2.114 7.961 1.00 0.00 H new ATOM 0 HA ASN A 17 14.190 -0.055 6.881 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.802 -0.236 6.375 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.388 -0.004 8.062 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.320 3.198 5.657 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.532 1.530 5.113 1.00 0.00 H new ATOM 269 N GLU A 18 13.437 0.070 10.103 1.00 0.00 N ATOM 270 CA GLU A 18 13.830 0.621 11.392 1.00 0.00 C ATOM 271 C GLU A 18 15.326 0.492 11.596 1.00 0.00 C ATOM 272 O GLU A 18 15.982 1.426 12.066 1.00 0.00 O ATOM 273 CB GLU A 18 13.088 -0.092 12.525 1.00 0.00 C ATOM 274 CG GLU A 18 11.663 0.389 12.736 1.00 0.00 C ATOM 275 CD GLU A 18 11.614 1.807 13.261 1.00 0.00 C ATOM 276 OE1 GLU A 18 12.203 2.064 14.337 1.00 0.00 O ATOM 277 OE2 GLU A 18 10.994 2.664 12.621 1.00 0.00 O ATOM 0 H GLU A 18 12.713 -0.646 10.161 1.00 0.00 H new ATOM 0 HA GLU A 18 13.565 1.678 11.404 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.071 -1.162 12.316 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.646 0.043 13.451 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.118 0.333 11.794 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.157 -0.275 13.437 1.00 0.00 H new ATOM 284 N ARG A 19 15.869 -0.664 11.231 1.00 0.00 N ATOM 285 CA ARG A 19 17.301 -0.894 11.360 1.00 0.00 C ATOM 286 C ARG A 19 18.078 0.006 10.407 1.00 0.00 C ATOM 287 O ARG A 19 19.105 0.544 10.773 1.00 0.00 O ATOM 288 CB ARG A 19 17.676 -2.372 11.138 1.00 0.00 C ATOM 289 CG ARG A 19 19.168 -2.641 11.293 1.00 0.00 C ATOM 290 CD ARG A 19 19.482 -4.126 11.270 1.00 0.00 C ATOM 291 NE ARG A 19 20.929 -4.378 11.313 1.00 0.00 N ATOM 292 CZ ARG A 19 21.501 -5.394 11.969 1.00 0.00 C ATOM 293 NH1 ARG A 19 20.758 -6.241 12.672 1.00 0.00 N ATOM 294 NH2 ARG A 19 22.820 -5.554 11.929 1.00 0.00 N ATOM 0 H ARG A 19 15.344 -1.449 10.847 1.00 0.00 H new ATOM 0 HA ARG A 19 17.576 -0.643 12.384 1.00 0.00 H new ATOM 0 HB2 ARG A 19 17.126 -2.990 11.847 1.00 0.00 H new ATOM 0 HB3 ARG A 19 17.360 -2.675 10.140 1.00 0.00 H new ATOM 0 HG2 ARG A 19 19.712 -2.143 10.490 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.519 -2.210 12.231 1.00 0.00 H new ATOM 0 HD2 ARG A 19 19.003 -4.612 12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 19 19.062 -4.573 10.369 1.00 0.00 H new ATOM 0 HE ARG A 19 21.539 -3.735 10.808 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.746 -6.119 12.714 1.00 0.00 H new ATOM 0 HH12 ARG A 19 21.199 -7.014 13.170 1.00 0.00 H new ATOM 0 HH21 ARG A 19 23.397 -4.902 11.398 1.00 0.00 H new ATOM 0 HH22 ARG A 19 23.255 -6.329 12.430 1.00 0.00 H new ATOM 308 N HIS A 20 17.573 0.175 9.179 1.00 0.00 N ATOM 309 CA HIS A 20 18.224 1.065 8.198 1.00 0.00 C ATOM 310 C HIS A 20 18.283 2.490 8.731 1.00 0.00 C ATOM 311 O HIS A 20 19.293 3.176 8.590 1.00 0.00 O ATOM 312 CB HIS A 20 17.492 1.054 6.847 1.00 0.00 C ATOM 313 CG HIS A 20 17.605 -0.229 6.085 1.00 0.00 C ATOM 314 ND1 HIS A 20 16.983 -0.435 4.873 1.00 0.00 N ATOM 315 CD2 HIS A 20 18.266 -1.380 6.363 1.00 0.00 C ATOM 316 CE1 HIS A 20 17.251 -1.644 4.440 1.00 0.00 C ATOM 317 NE2 HIS A 20 18.030 -2.243 5.323 1.00 0.00 N ATOM 0 H HIS A 20 16.728 -0.284 8.840 1.00 0.00 H new ATOM 0 HA HIS A 20 19.236 0.690 8.042 1.00 0.00 H new ATOM 0 HB2 HIS A 20 16.437 1.267 7.019 1.00 0.00 H new ATOM 0 HB3 HIS A 20 17.884 1.863 6.230 1.00 0.00 H new ATOM 0 HD1 HIS A 20 16.403 0.248 4.387 1.00 0.00 H new ATOM 0 HD2 HIS A 20 18.866 -1.580 7.239 1.00 0.00 H new ATOM 0 HE1 HIS A 20 16.895 -2.077 3.517 1.00 0.00 H new ATOM 325 N GLU A 21 17.190 2.920 9.347 1.00 0.00 N ATOM 326 CA GLU A 21 17.103 4.256 9.945 1.00 0.00 C ATOM 327 C GLU A 21 18.215 4.440 10.983 1.00 0.00 C ATOM 328 O GLU A 21 18.913 5.459 10.999 1.00 0.00 O ATOM 329 CB GLU A 21 15.718 4.459 10.597 1.00 0.00 C ATOM 330 CG GLU A 21 15.513 5.823 11.234 1.00 0.00 C ATOM 331 CD GLU A 21 15.571 6.951 10.234 1.00 0.00 C ATOM 332 OE1 GLU A 21 15.007 6.808 9.133 1.00 0.00 O ATOM 333 OE2 GLU A 21 16.161 8.000 10.552 1.00 0.00 O ATOM 0 H GLU A 21 16.342 2.362 9.449 1.00 0.00 H new ATOM 0 HA GLU A 21 17.230 5.003 9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.949 4.307 9.840 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.573 3.692 11.358 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.547 5.841 11.739 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.275 5.981 11.997 1.00 0.00 H new ATOM 340 N GLU A 22 18.388 3.426 11.818 1.00 0.00 N ATOM 341 CA GLU A 22 19.409 3.451 12.864 1.00 0.00 C ATOM 342 C GLU A 22 20.801 3.187 12.285 1.00 0.00 C ATOM 343 O GLU A 22 21.810 3.556 12.883 1.00 0.00 O ATOM 344 CB GLU A 22 19.086 2.438 13.970 1.00 0.00 C ATOM 345 CG GLU A 22 17.797 2.745 14.725 1.00 0.00 C ATOM 346 CD GLU A 22 17.553 1.796 15.877 1.00 0.00 C ATOM 347 OE1 GLU A 22 16.663 0.921 15.764 1.00 0.00 O ATOM 348 OE2 GLU A 22 18.247 1.918 16.905 1.00 0.00 O ATOM 0 H GLU A 22 17.833 2.570 11.794 1.00 0.00 H new ATOM 0 HA GLU A 22 19.408 4.449 13.302 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.011 1.444 13.529 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.914 2.411 14.678 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.837 3.766 15.104 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.956 2.694 14.034 1.00 0.00 H new ATOM 355 N ALA A 23 20.839 2.593 11.102 1.00 0.00 N ATOM 356 CA ALA A 23 22.101 2.265 10.436 1.00 0.00 C ATOM 357 C ALA A 23 22.677 3.503 9.788 1.00 0.00 C ATOM 358 O ALA A 23 23.895 3.698 9.749 1.00 0.00 O ATOM 359 CB ALA A 23 21.900 1.171 9.387 1.00 0.00 C ATOM 0 H ALA A 23 20.007 2.325 10.576 1.00 0.00 H new ATOM 0 HA ALA A 23 22.798 1.892 11.187 1.00 0.00 H new ATOM 0 HB1 ALA A 23 22.853 0.947 8.908 1.00 0.00 H new ATOM 0 HB2 ALA A 23 21.515 0.272 9.868 1.00 0.00 H new ATOM 0 HB3 ALA A 23 21.188 1.513 8.636 1.00 0.00 H new ATOM 365 N GLU A 24 21.793 4.341 9.274 1.00 0.00 N ATOM 366 CA GLU A 24 22.206 5.589 8.655 1.00 0.00 C ATOM 367 C GLU A 24 22.822 6.488 9.716 1.00 0.00 C ATOM 368 O GLU A 24 23.843 7.139 9.485 1.00 0.00 O ATOM 369 CB GLU A 24 21.017 6.288 7.975 1.00 0.00 C ATOM 370 CG GLU A 24 21.433 7.325 6.952 1.00 0.00 C ATOM 371 CD GLU A 24 22.208 6.712 5.809 1.00 0.00 C ATOM 372 OE1 GLU A 24 21.579 6.312 4.810 1.00 0.00 O ATOM 373 OE2 GLU A 24 23.452 6.611 5.912 1.00 0.00 O ATOM 0 H GLU A 24 20.786 4.180 9.273 1.00 0.00 H new ATOM 0 HA GLU A 24 22.945 5.377 7.883 1.00 0.00 H new ATOM 0 HB2 GLU A 24 20.394 5.538 7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.402 6.767 8.737 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.547 7.826 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 24 22.043 8.088 7.436 1.00 0.00 H new ATOM 380 N LEU A 25 22.199 6.496 10.889 1.00 0.00 N ATOM 381 CA LEU A 25 22.691 7.258 12.027 1.00 0.00 C ATOM 382 C LEU A 25 24.079 6.773 12.451 1.00 0.00 C ATOM 383 O LEU A 25 24.955 7.579 12.774 1.00 0.00 O ATOM 384 CB LEU A 25 21.716 7.148 13.200 1.00 0.00 C ATOM 385 CG LEU A 25 20.296 7.653 12.932 1.00 0.00 C ATOM 386 CD1 LEU A 25 19.401 7.394 14.133 1.00 0.00 C ATOM 387 CD2 LEU A 25 20.310 9.136 12.587 1.00 0.00 C ATOM 0 H LEU A 25 21.342 5.976 11.076 1.00 0.00 H new ATOM 0 HA LEU A 25 22.770 8.303 11.727 1.00 0.00 H new ATOM 0 HB2 LEU A 25 21.659 6.103 13.504 1.00 0.00 H new ATOM 0 HB3 LEU A 25 22.126 7.704 14.043 1.00 0.00 H new ATOM 0 HG LEU A 25 19.894 7.106 12.079 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.396 7.760 13.923 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.363 6.323 14.334 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.802 7.913 15.004 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.291 9.476 12.400 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.733 9.699 13.419 1.00 0.00 H new ATOM 0 HD23 LEU A 25 20.915 9.296 11.695 1.00 0.00 H new ATOM 399 N GLU A 26 24.277 5.453 12.438 1.00 0.00 N ATOM 400 CA GLU A 26 25.568 4.870 12.805 1.00 0.00 C ATOM 401 C GLU A 26 26.647 5.266 11.806 1.00 0.00 C ATOM 402 O GLU A 26 27.765 5.605 12.189 1.00 0.00 O ATOM 403 CB GLU A 26 25.479 3.340 12.908 1.00 0.00 C ATOM 404 CG GLU A 26 24.629 2.837 14.069 1.00 0.00 C ATOM 405 CD GLU A 26 25.086 3.383 15.406 1.00 0.00 C ATOM 406 OE1 GLU A 26 26.000 2.797 16.015 1.00 0.00 O ATOM 407 OE2 GLU A 26 24.527 4.401 15.862 1.00 0.00 O ATOM 0 H GLU A 26 23.564 4.771 12.179 1.00 0.00 H new ATOM 0 HA GLU A 26 25.838 5.264 13.785 1.00 0.00 H new ATOM 0 HB2 GLU A 26 25.069 2.948 11.977 1.00 0.00 H new ATOM 0 HB3 GLU A 26 26.486 2.935 13.008 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.589 3.119 13.902 1.00 0.00 H new ATOM 0 HG3 GLU A 26 24.664 1.748 14.095 1.00 0.00 H new ATOM 414 N ARG A 27 26.303 5.253 10.521 1.00 0.00 N ATOM 415 CA ARG A 27 27.263 5.638 9.481 1.00 0.00 C ATOM 416 C ARG A 27 27.532 7.141 9.541 1.00 0.00 C ATOM 417 O ARG A 27 28.586 7.614 9.128 1.00 0.00 O ATOM 418 CB ARG A 27 26.783 5.225 8.081 1.00 0.00 C ATOM 419 CG ARG A 27 27.840 5.415 6.998 1.00 0.00 C ATOM 420 CD ARG A 27 27.401 4.818 5.671 1.00 0.00 C ATOM 421 NE ARG A 27 27.077 3.392 5.788 1.00 0.00 N ATOM 422 CZ ARG A 27 27.974 2.394 5.734 1.00 0.00 C ATOM 423 NH1 ARG A 27 29.269 2.660 5.567 1.00 0.00 N ATOM 424 NH2 ARG A 27 27.571 1.134 5.843 1.00 0.00 N ATOM 0 H ARG A 27 25.382 4.985 10.174 1.00 0.00 H new ATOM 0 HA ARG A 27 28.194 5.105 9.673 1.00 0.00 H new ATOM 0 HB2 ARG A 27 26.480 4.178 8.103 1.00 0.00 H new ATOM 0 HB3 ARG A 27 25.899 5.807 7.822 1.00 0.00 H new ATOM 0 HG2 ARG A 27 28.042 6.478 6.869 1.00 0.00 H new ATOM 0 HG3 ARG A 27 28.773 4.950 7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 27 26.529 5.358 5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 27 28.194 4.950 4.935 1.00 0.00 H new ATOM 0 HE ARG A 27 26.098 3.140 5.920 1.00 0.00 H new ATOM 0 HH11 ARG A 27 29.584 3.626 5.479 1.00 0.00 H new ATOM 0 HH12 ARG A 27 29.945 1.897 5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 27 26.581 0.924 5.968 1.00 0.00 H new ATOM 0 HH22 ARG A 27 28.252 0.375 5.802 1.00 0.00 H new ATOM 438 N LEU A 28 26.579 7.879 10.088 1.00 0.00 N ATOM 439 CA LEU A 28 26.735 9.322 10.265 1.00 0.00 C ATOM 440 C LEU A 28 27.686 9.574 11.430 1.00 0.00 C ATOM 441 O LEU A 28 28.343 10.611 11.518 1.00 0.00 O ATOM 442 CB LEU A 28 25.372 9.998 10.525 1.00 0.00 C ATOM 443 CG LEU A 28 25.390 11.524 10.631 1.00 0.00 C ATOM 444 CD1 LEU A 28 25.895 12.142 9.339 1.00 0.00 C ATOM 445 CD2 LEU A 28 24.003 12.049 10.968 1.00 0.00 C ATOM 0 H LEU A 28 25.688 7.507 10.418 1.00 0.00 H new ATOM 0 HA LEU A 28 27.147 9.753 9.353 1.00 0.00 H new ATOM 0 HB2 LEU A 28 24.691 9.717 9.722 1.00 0.00 H new ATOM 0 HB3 LEU A 28 24.959 9.594 11.449 1.00 0.00 H new ATOM 0 HG LEU A 28 26.070 11.806 11.435 1.00 0.00 H new ATOM 0 HD11 LEU A 28 25.901 13.228 9.433 1.00 0.00 H new ATOM 0 HD12 LEU A 28 26.907 11.790 9.138 1.00 0.00 H new ATOM 0 HD13 LEU A 28 25.240 11.853 8.517 1.00 0.00 H new ATOM 0 HD21 LEU A 28 24.033 13.136 11.040 1.00 0.00 H new ATOM 0 HD22 LEU A 28 23.303 11.756 10.185 1.00 0.00 H new ATOM 0 HD23 LEU A 28 23.677 11.631 11.921 1.00 0.00 H new ATOM 457 N LYS A 29 27.755 8.594 12.315 1.00 0.00 N ATOM 458 CA LYS A 29 28.638 8.638 13.471 1.00 0.00 C ATOM 459 C LYS A 29 30.021 8.139 13.077 1.00 0.00 C ATOM 460 O LYS A 29 31.009 8.436 13.734 1.00 0.00 O ATOM 461 CB LYS A 29 28.064 7.773 14.611 1.00 0.00 C ATOM 462 CG LYS A 29 28.918 7.722 15.871 1.00 0.00 C ATOM 463 CD LYS A 29 28.271 6.849 16.942 1.00 0.00 C ATOM 464 CE LYS A 29 27.991 5.442 16.425 1.00 0.00 C ATOM 465 NZ LYS A 29 27.334 4.593 17.443 1.00 0.00 N ATOM 0 H LYS A 29 27.198 7.742 12.253 1.00 0.00 H new ATOM 0 HA LYS A 29 28.717 9.667 13.822 1.00 0.00 H new ATOM 0 HB2 LYS A 29 27.077 8.153 14.874 1.00 0.00 H new ATOM 0 HB3 LYS A 29 27.926 6.757 14.242 1.00 0.00 H new ATOM 0 HG2 LYS A 29 29.906 7.331 15.628 1.00 0.00 H new ATOM 0 HG3 LYS A 29 29.060 8.731 16.258 1.00 0.00 H new ATOM 0 HD2 LYS A 29 28.925 6.794 17.812 1.00 0.00 H new ATOM 0 HD3 LYS A 29 27.339 7.308 17.273 1.00 0.00 H new ATOM 0 HE2 LYS A 29 27.357 5.501 15.540 1.00 0.00 H new ATOM 0 HE3 LYS A 29 28.927 4.977 16.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 26.907 3.765 16.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 28.039 4.276 18.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 26.593 5.140 17.926 1.00 0.00 H new ATOM 479 N SER A 30 30.067 7.387 11.984 1.00 0.00 N ATOM 480 CA SER A 30 31.311 6.806 11.469 1.00 0.00 C ATOM 481 C SER A 30 32.385 7.873 11.263 1.00 0.00 C ATOM 482 O SER A 30 33.509 7.729 11.741 1.00 0.00 O ATOM 483 CB SER A 30 31.052 6.053 10.151 1.00 0.00 C ATOM 484 OG SER A 30 32.242 5.498 9.640 1.00 0.00 O ATOM 0 H SER A 30 29.244 7.160 11.426 1.00 0.00 H new ATOM 0 HA SER A 30 31.677 6.100 12.215 1.00 0.00 H new ATOM 0 HB2 SER A 30 30.321 5.262 10.318 1.00 0.00 H new ATOM 0 HB3 SER A 30 30.621 6.735 9.418 1.00 0.00 H new ATOM 0 HG SER A 30 32.068 4.588 9.321 1.00 0.00 H new ATOM 490 N GLU A 31 32.024 8.950 10.571 1.00 0.00 N ATOM 491 CA GLU A 31 32.962 10.035 10.306 1.00 0.00 C ATOM 492 C GLU A 31 33.496 10.615 11.607 1.00 0.00 C ATOM 493 O GLU A 31 34.704 10.845 11.752 1.00 0.00 O ATOM 494 CB GLU A 31 32.296 11.125 9.478 1.00 0.00 C ATOM 495 CG GLU A 31 33.257 12.196 9.002 1.00 0.00 C ATOM 496 CD GLU A 31 32.575 13.257 8.186 1.00 0.00 C ATOM 497 OE1 GLU A 31 32.439 14.394 8.677 1.00 0.00 O ATOM 498 OE2 GLU A 31 32.168 12.961 7.046 1.00 0.00 O ATOM 0 H GLU A 31 31.091 9.094 10.185 1.00 0.00 H new ATOM 0 HA GLU A 31 33.800 9.629 9.740 1.00 0.00 H new ATOM 0 HB2 GLU A 31 31.815 10.670 8.613 1.00 0.00 H new ATOM 0 HB3 GLU A 31 31.510 11.592 10.071 1.00 0.00 H new ATOM 0 HG2 GLU A 31 33.738 12.658 9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 31 34.045 11.735 8.407 1.00 0.00 H new ATOM 505 N ARG A 32 32.600 10.837 12.554 1.00 0.00 N ATOM 506 CA ARG A 32 32.983 11.362 13.845 1.00 0.00 C ATOM 507 C ARG A 32 33.833 10.351 14.599 1.00 0.00 C ATOM 508 O ARG A 32 34.754 10.718 15.296 1.00 0.00 O ATOM 509 CB ARG A 32 31.746 11.755 14.666 1.00 0.00 C ATOM 510 CG ARG A 32 32.074 12.252 16.068 1.00 0.00 C ATOM 511 CD ARG A 32 30.892 12.963 16.709 1.00 0.00 C ATOM 512 NE ARG A 32 29.727 12.089 16.894 1.00 0.00 N ATOM 513 CZ ARG A 32 28.760 12.322 17.795 1.00 0.00 C ATOM 514 NH1 ARG A 32 28.834 13.388 18.590 1.00 0.00 N ATOM 515 NH2 ARG A 32 27.718 11.497 17.895 1.00 0.00 N ATOM 0 H ARG A 32 31.601 10.660 12.448 1.00 0.00 H new ATOM 0 HA ARG A 32 33.579 12.261 13.685 1.00 0.00 H new ATOM 0 HB2 ARG A 32 31.199 12.533 14.133 1.00 0.00 H new ATOM 0 HB3 ARG A 32 31.082 10.894 14.741 1.00 0.00 H new ATOM 0 HG2 ARG A 32 32.372 11.409 16.691 1.00 0.00 H new ATOM 0 HG3 ARG A 32 32.925 12.931 16.022 1.00 0.00 H new ATOM 0 HD2 ARG A 32 31.197 13.362 17.676 1.00 0.00 H new ATOM 0 HD3 ARG A 32 30.607 13.813 16.089 1.00 0.00 H new ATOM 0 HE ARG A 32 29.648 11.259 16.306 1.00 0.00 H new ATOM 0 HH11 ARG A 32 29.625 14.027 18.514 1.00 0.00 H new ATOM 0 HH12 ARG A 32 28.099 13.565 19.275 1.00 0.00 H new ATOM 0 HH21 ARG A 32 27.652 10.683 17.285 1.00 0.00 H new ATOM 0 HH22 ARG A 32 26.987 11.680 18.582 1.00 0.00 H new ATOM 529 N HIS A 33 33.526 9.074 14.420 1.00 0.00 N ATOM 530 CA HIS A 33 34.259 7.997 15.076 1.00 0.00 C ATOM 531 C HIS A 33 35.724 7.998 14.657 1.00 0.00 C ATOM 532 O HIS A 33 36.621 7.883 15.498 1.00 0.00 O ATOM 533 CB HIS A 33 33.612 6.637 14.755 1.00 0.00 C ATOM 534 CG HIS A 33 34.295 5.463 15.400 1.00 0.00 C ATOM 535 ND1 HIS A 33 34.006 5.037 16.674 1.00 0.00 N ATOM 536 CD2 HIS A 33 35.258 4.628 14.939 1.00 0.00 C ATOM 537 CE1 HIS A 33 34.752 3.999 16.975 1.00 0.00 C ATOM 538 NE2 HIS A 33 35.523 3.726 15.942 1.00 0.00 N ATOM 0 H HIS A 33 32.766 8.755 13.819 1.00 0.00 H new ATOM 0 HA HIS A 33 34.214 8.163 16.152 1.00 0.00 H new ATOM 0 HB2 HIS A 33 32.570 6.658 15.075 1.00 0.00 H new ATOM 0 HB3 HIS A 33 33.611 6.494 13.674 1.00 0.00 H new ATOM 0 HD2 HIS A 33 35.728 4.664 13.967 1.00 0.00 H new ATOM 0 HE1 HIS A 33 34.736 3.460 17.911 1.00 0.00 H new ATOM 0 HE2 HIS A 33 36.205 2.969 15.894 1.00 0.00 H new ATOM 546 N ASP A 34 35.961 8.126 13.358 1.00 0.00 N ATOM 547 CA ASP A 34 37.322 8.133 12.830 1.00 0.00 C ATOM 548 C ASP A 34 38.091 9.351 13.318 1.00 0.00 C ATOM 549 O ASP A 34 39.208 9.229 13.830 1.00 0.00 O ATOM 550 CB ASP A 34 37.333 8.099 11.296 1.00 0.00 C ATOM 551 CG ASP A 34 36.740 6.832 10.720 1.00 0.00 C ATOM 552 OD1 ASP A 34 37.209 5.724 11.077 1.00 0.00 O ATOM 553 OD2 ASP A 34 35.819 6.932 9.877 1.00 0.00 O ATOM 0 H ASP A 34 35.232 8.226 12.651 1.00 0.00 H new ATOM 0 HA ASP A 34 37.811 7.231 13.199 1.00 0.00 H new ATOM 0 HB2 ASP A 34 36.777 8.957 10.917 1.00 0.00 H new ATOM 0 HB3 ASP A 34 38.360 8.204 10.945 1.00 0.00 H new ATOM 558 N HIS A 35 37.481 10.525 13.189 1.00 0.00 N ATOM 559 CA HIS A 35 38.136 11.777 13.577 1.00 0.00 C ATOM 560 C HIS A 35 38.187 11.945 15.093 1.00 0.00 C ATOM 561 O HIS A 35 38.932 12.775 15.610 1.00 0.00 O ATOM 562 CB HIS A 35 37.456 12.984 12.925 1.00 0.00 C ATOM 563 CG HIS A 35 37.525 12.960 11.430 1.00 0.00 C ATOM 564 ND1 HIS A 35 38.665 12.616 10.736 1.00 0.00 N ATOM 565 CD2 HIS A 35 36.582 13.212 10.493 1.00 0.00 C ATOM 566 CE1 HIS A 35 38.419 12.657 9.441 1.00 0.00 C ATOM 567 NE2 HIS A 35 37.164 13.016 9.263 1.00 0.00 N ATOM 0 H HIS A 35 36.537 10.639 12.820 1.00 0.00 H new ATOM 0 HA HIS A 35 39.163 11.724 13.215 1.00 0.00 H new ATOM 0 HB2 HIS A 35 36.411 13.016 13.234 1.00 0.00 H new ATOM 0 HB3 HIS A 35 37.924 13.898 13.290 1.00 0.00 H new ATOM 0 HD2 HIS A 35 35.561 13.512 10.677 1.00 0.00 H new ATOM 0 HE1 HIS A 35 39.128 12.434 8.657 1.00 0.00 H new ATOM 0 HE2 HIS A 35 36.701 13.130 8.361 1.00 0.00 H new ATOM 575 N ASP A 36 37.394 11.153 15.798 1.00 0.00 N ATOM 576 CA ASP A 36 37.384 11.173 17.270 1.00 0.00 C ATOM 577 C ASP A 36 38.689 10.633 17.809 1.00 0.00 C ATOM 578 O ASP A 36 39.210 11.108 18.820 1.00 0.00 O ATOM 579 CB ASP A 36 36.214 10.345 17.831 1.00 0.00 C ATOM 580 CG ASP A 36 36.289 10.175 19.330 1.00 0.00 C ATOM 581 OD1 ASP A 36 36.027 11.156 20.061 1.00 0.00 O ATOM 582 OD2 ASP A 36 36.606 9.053 19.787 1.00 0.00 O ATOM 0 H ASP A 36 36.745 10.484 15.383 1.00 0.00 H new ATOM 0 HA ASP A 36 37.259 12.208 17.588 1.00 0.00 H new ATOM 0 HB2 ASP A 36 35.273 10.830 17.571 1.00 0.00 H new ATOM 0 HB3 ASP A 36 36.209 9.363 17.358 1.00 0.00 H new ATOM 587 N LYS A 37 39.217 9.644 17.123 1.00 0.00 N ATOM 588 CA LYS A 37 40.451 9.011 17.525 1.00 0.00 C ATOM 589 C LYS A 37 41.576 9.394 16.575 1.00 0.00 C ATOM 590 O LYS A 37 42.701 8.908 16.695 1.00 0.00 O ATOM 591 CB LYS A 37 40.242 7.502 17.598 1.00 0.00 C ATOM 592 CG LYS A 37 39.177 7.128 18.620 1.00 0.00 C ATOM 593 CD LYS A 37 38.649 5.726 18.426 1.00 0.00 C ATOM 594 CE LYS A 37 37.556 5.412 19.442 1.00 0.00 C ATOM 595 NZ LYS A 37 36.433 6.398 19.388 1.00 0.00 N ATOM 0 H LYS A 37 38.804 9.258 16.274 1.00 0.00 H new ATOM 0 HA LYS A 37 40.743 9.358 18.516 1.00 0.00 H new ATOM 0 HB2 LYS A 37 39.952 7.127 16.617 1.00 0.00 H new ATOM 0 HB3 LYS A 37 41.183 7.017 17.859 1.00 0.00 H new ATOM 0 HG2 LYS A 37 39.594 7.219 19.623 1.00 0.00 H new ATOM 0 HG3 LYS A 37 38.351 7.836 18.553 1.00 0.00 H new ATOM 0 HD2 LYS A 37 38.254 5.618 17.416 1.00 0.00 H new ATOM 0 HD3 LYS A 37 39.463 5.009 18.528 1.00 0.00 H new ATOM 0 HE2 LYS A 37 37.167 4.411 19.257 1.00 0.00 H new ATOM 0 HE3 LYS A 37 37.985 5.407 20.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 35.600 6.003 19.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 36.721 7.278 19.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 36.195 6.600 18.396 1.00 0.00 H new ATOM 609 N LYS A 38 41.232 10.281 15.631 1.00 0.00 N ATOM 610 CA LYS A 38 42.159 10.870 14.639 1.00 0.00 C ATOM 611 C LYS A 38 42.753 9.844 13.658 1.00 0.00 C ATOM 612 O LYS A 38 42.571 9.955 12.448 1.00 0.00 O ATOM 613 CB LYS A 38 43.281 11.672 15.335 1.00 0.00 C ATOM 614 CG LYS A 38 42.780 12.819 16.210 1.00 0.00 C ATOM 615 CD LYS A 38 42.030 13.872 15.403 1.00 0.00 C ATOM 616 CE LYS A 38 42.945 14.599 14.430 1.00 0.00 C ATOM 617 NZ LYS A 38 42.202 15.589 13.618 1.00 0.00 N ATOM 0 H LYS A 38 40.276 10.622 15.529 1.00 0.00 H new ATOM 0 HA LYS A 38 41.554 11.549 14.038 1.00 0.00 H new ATOM 0 HB2 LYS A 38 43.871 10.992 15.950 1.00 0.00 H new ATOM 0 HB3 LYS A 38 43.949 12.075 14.574 1.00 0.00 H new ATOM 0 HG2 LYS A 38 42.125 12.423 16.986 1.00 0.00 H new ATOM 0 HG3 LYS A 38 43.626 13.285 16.715 1.00 0.00 H new ATOM 0 HD2 LYS A 38 41.218 13.397 14.852 1.00 0.00 H new ATOM 0 HD3 LYS A 38 41.575 14.594 16.082 1.00 0.00 H new ATOM 0 HE2 LYS A 38 43.738 15.103 14.983 1.00 0.00 H new ATOM 0 HE3 LYS A 38 43.426 13.875 13.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 42.857 16.065 12.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 41.462 15.104 13.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 41.764 16.294 14.245 1.00 0.00 H new ATOM 631 N GLU A 39 43.439 8.855 14.186 1.00 0.00 N ATOM 632 CA GLU A 39 44.144 7.870 13.367 1.00 0.00 C ATOM 633 C GLU A 39 43.228 6.734 12.915 1.00 0.00 C ATOM 634 O GLU A 39 43.664 5.841 12.175 1.00 0.00 O ATOM 635 CB GLU A 39 45.354 7.305 14.136 1.00 0.00 C ATOM 636 CG GLU A 39 44.997 6.405 15.321 1.00 0.00 C ATOM 637 CD GLU A 39 46.198 6.042 16.158 1.00 0.00 C ATOM 638 OE1 GLU A 39 46.707 6.919 16.883 1.00 0.00 O ATOM 639 OE2 GLU A 39 46.631 4.878 16.106 1.00 0.00 O ATOM 0 H GLU A 39 43.529 8.703 15.191 1.00 0.00 H new ATOM 0 HA GLU A 39 44.492 8.383 12.470 1.00 0.00 H new ATOM 0 HB2 GLU A 39 45.976 6.739 13.442 1.00 0.00 H new ATOM 0 HB3 GLU A 39 45.957 8.137 14.499 1.00 0.00 H new ATOM 0 HG2 GLU A 39 44.262 6.910 15.947 1.00 0.00 H new ATOM 0 HG3 GLU A 39 44.528 5.493 14.951 1.00 0.00 H new ATOM 646 N ALA A 40 41.958 6.774 13.353 1.00 0.00 N ATOM 647 CA ALA A 40 40.984 5.731 13.012 1.00 0.00 C ATOM 648 C ALA A 40 41.567 4.337 13.323 1.00 0.00 C ATOM 649 O ALA A 40 41.718 3.507 12.421 1.00 0.00 O ATOM 650 CB ALA A 40 40.598 5.835 11.537 1.00 0.00 C ATOM 0 H ALA A 40 41.585 7.518 13.943 1.00 0.00 H new ATOM 0 HA ALA A 40 40.087 5.873 13.615 1.00 0.00 H new ATOM 0 HB1 ALA A 40 39.875 5.056 11.294 1.00 0.00 H new ATOM 0 HB2 ALA A 40 40.157 6.813 11.344 1.00 0.00 H new ATOM 0 HB3 ALA A 40 41.487 5.710 10.919 1.00 0.00 H new ATOM 656 N GLU A 41 41.926 4.110 14.610 1.00 0.00 N ATOM 657 CA GLU A 41 42.553 2.860 15.071 1.00 0.00 C ATOM 658 C GLU A 41 41.861 1.602 14.548 1.00 0.00 C ATOM 659 O GLU A 41 42.518 0.606 14.264 1.00 0.00 O ATOM 660 CB GLU A 41 42.578 2.822 16.593 1.00 0.00 C ATOM 661 CG GLU A 41 43.313 3.983 17.226 1.00 0.00 C ATOM 662 CD GLU A 41 43.384 3.864 18.725 1.00 0.00 C ATOM 663 OE1 GLU A 41 44.293 3.176 19.222 1.00 0.00 O ATOM 664 OE2 GLU A 41 42.526 4.453 19.413 1.00 0.00 O ATOM 0 H GLU A 41 41.786 4.793 15.354 1.00 0.00 H new ATOM 0 HA GLU A 41 43.565 2.859 14.667 1.00 0.00 H new ATOM 0 HB2 GLU A 41 41.553 2.810 16.963 1.00 0.00 H new ATOM 0 HB3 GLU A 41 43.044 1.891 16.915 1.00 0.00 H new ATOM 0 HG2 GLU A 41 44.323 4.036 16.820 1.00 0.00 H new ATOM 0 HG3 GLU A 41 42.813 4.915 16.961 1.00 0.00 H new ATOM 671 N ARG A 42 40.551 1.652 14.412 1.00 0.00 N ATOM 672 CA ARG A 42 39.804 0.540 13.971 1.00 0.00 C ATOM 673 C ARG A 42 38.440 1.009 13.552 1.00 0.00 C ATOM 674 O ARG A 42 37.717 1.658 14.308 1.00 0.00 O ATOM 675 CB ARG A 42 39.699 -0.521 15.082 1.00 0.00 C ATOM 676 CG ARG A 42 39.224 0.027 16.420 1.00 0.00 C ATOM 677 CD ARG A 42 39.254 -1.033 17.504 1.00 0.00 C ATOM 678 NE ARG A 42 38.286 -2.105 17.267 1.00 0.00 N ATOM 679 CZ ARG A 42 37.205 -2.320 18.024 1.00 0.00 C ATOM 680 NH1 ARG A 42 36.908 -1.486 19.017 1.00 0.00 N ATOM 681 NH2 ARG A 42 36.413 -3.360 17.776 1.00 0.00 N ATOM 0 H ARG A 42 39.991 2.481 14.611 1.00 0.00 H new ATOM 0 HA ARG A 42 40.306 0.077 13.122 1.00 0.00 H new ATOM 0 HB2 ARG A 42 39.014 -1.304 14.758 1.00 0.00 H new ATOM 0 HB3 ARG A 42 40.675 -0.987 15.218 1.00 0.00 H new ATOM 0 HG2 ARG A 42 39.855 0.866 16.714 1.00 0.00 H new ATOM 0 HG3 ARG A 42 38.210 0.412 16.316 1.00 0.00 H new ATOM 0 HD2 ARG A 42 40.256 -1.459 17.563 1.00 0.00 H new ATOM 0 HD3 ARG A 42 39.048 -0.568 18.468 1.00 0.00 H new ATOM 0 HE ARG A 42 38.446 -2.727 16.475 1.00 0.00 H new ATOM 0 HH11 ARG A 42 37.505 -0.680 19.202 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.083 -1.652 19.593 1.00 0.00 H new ATOM 0 HH21 ARG A 42 36.630 -3.995 17.008 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.589 -3.523 18.354 1.00 0.00 H new ATOM 695 N LYS A 43 38.120 0.696 12.357 1.00 0.00 N ATOM 696 CA LYS A 43 36.832 1.023 11.783 1.00 0.00 C ATOM 697 C LYS A 43 35.809 -0.055 12.116 1.00 0.00 C ATOM 698 O LYS A 43 34.616 0.141 11.956 1.00 0.00 O ATOM 699 CB LYS A 43 36.952 1.194 10.271 1.00 0.00 C ATOM 700 CG LYS A 43 38.037 2.179 9.854 1.00 0.00 C ATOM 701 CD LYS A 43 37.977 2.478 8.366 1.00 0.00 C ATOM 702 CE LYS A 43 36.793 3.368 8.024 1.00 0.00 C ATOM 703 NZ LYS A 43 36.938 4.727 8.603 1.00 0.00 N ATOM 0 H LYS A 43 38.742 0.196 11.721 1.00 0.00 H new ATOM 0 HA LYS A 43 36.492 1.965 12.213 1.00 0.00 H new ATOM 0 HB2 LYS A 43 37.160 0.224 9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 43 35.994 1.531 9.875 1.00 0.00 H new ATOM 0 HG2 LYS A 43 37.924 3.106 10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 43 39.016 1.771 10.105 1.00 0.00 H new ATOM 0 HD2 LYS A 43 38.901 2.964 8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 43 37.904 1.544 7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 43 36.696 3.443 6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 43 35.876 2.911 8.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 36.119 5.308 8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 36.988 4.659 9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 37.809 5.167 8.242 1.00 0.00 H new ATOM 717 N ALA A 44 36.293 -1.189 12.609 1.00 0.00 N ATOM 718 CA ALA A 44 35.437 -2.340 12.961 1.00 0.00 C ATOM 719 C ALA A 44 34.310 -1.980 13.934 1.00 0.00 C ATOM 720 O ALA A 44 33.347 -2.732 14.074 1.00 0.00 O ATOM 721 CB ALA A 44 36.271 -3.487 13.527 1.00 0.00 C ATOM 0 H ALA A 44 37.286 -1.347 12.780 1.00 0.00 H new ATOM 0 HA ALA A 44 34.965 -2.659 12.032 1.00 0.00 H new ATOM 0 HB1 ALA A 44 35.618 -4.322 13.778 1.00 0.00 H new ATOM 0 HB2 ALA A 44 37.000 -3.808 12.783 1.00 0.00 H new ATOM 0 HB3 ALA A 44 36.791 -3.151 14.424 1.00 0.00 H new ATOM 727 N LEU A 45 34.417 -0.835 14.594 1.00 0.00 N ATOM 728 CA LEU A 45 33.429 -0.454 15.588 1.00 0.00 C ATOM 729 C LEU A 45 32.302 0.346 14.916 1.00 0.00 C ATOM 730 O LEU A 45 31.148 0.277 15.333 1.00 0.00 O ATOM 731 CB LEU A 45 34.100 0.354 16.722 1.00 0.00 C ATOM 732 CG LEU A 45 33.323 0.457 18.054 1.00 0.00 C ATOM 733 CD1 LEU A 45 34.267 0.813 19.191 1.00 0.00 C ATOM 734 CD2 LEU A 45 32.211 1.496 17.967 1.00 0.00 C ATOM 0 H LEU A 45 35.171 -0.161 14.460 1.00 0.00 H new ATOM 0 HA LEU A 45 32.993 -1.349 16.032 1.00 0.00 H new ATOM 0 HB2 LEU A 45 35.072 -0.093 16.929 1.00 0.00 H new ATOM 0 HB3 LEU A 45 34.285 1.364 16.357 1.00 0.00 H new ATOM 0 HG LEU A 45 32.871 -0.516 18.250 1.00 0.00 H new ATOM 0 HD11 LEU A 45 33.705 0.882 20.122 1.00 0.00 H new ATOM 0 HD12 LEU A 45 35.031 0.041 19.285 1.00 0.00 H new ATOM 0 HD13 LEU A 45 34.743 1.771 18.982 1.00 0.00 H new ATOM 0 HD21 LEU A 45 31.683 1.545 18.919 1.00 0.00 H new ATOM 0 HD22 LEU A 45 32.641 2.471 17.740 1.00 0.00 H new ATOM 0 HD23 LEU A 45 31.512 1.216 17.179 1.00 0.00 H new ATOM 746 N GLU A 46 32.642 1.081 13.849 1.00 0.00 N ATOM 747 CA GLU A 46 31.647 1.875 13.125 1.00 0.00 C ATOM 748 C GLU A 46 30.924 1.022 12.100 1.00 0.00 C ATOM 749 O GLU A 46 29.812 1.345 11.679 1.00 0.00 O ATOM 750 CB GLU A 46 32.288 3.129 12.463 1.00 0.00 C ATOM 751 CG GLU A 46 33.435 2.860 11.468 1.00 0.00 C ATOM 752 CD GLU A 46 32.975 2.317 10.112 1.00 0.00 C ATOM 753 OE1 GLU A 46 32.127 2.963 9.460 1.00 0.00 O ATOM 754 OE2 GLU A 46 33.477 1.263 9.685 1.00 0.00 O ATOM 0 H GLU A 46 33.588 1.141 13.473 1.00 0.00 H new ATOM 0 HA GLU A 46 30.914 2.231 13.849 1.00 0.00 H new ATOM 0 HB2 GLU A 46 31.505 3.680 11.943 1.00 0.00 H new ATOM 0 HB3 GLU A 46 32.664 3.779 13.253 1.00 0.00 H new ATOM 0 HG2 GLU A 46 33.987 3.786 11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 46 34.129 2.149 11.915 1.00 0.00 H new ATOM 761 N ASP A 47 31.586 -0.050 11.678 1.00 0.00 N ATOM 762 CA ASP A 47 31.004 -0.989 10.716 1.00 0.00 C ATOM 763 C ASP A 47 29.662 -1.513 11.196 1.00 0.00 C ATOM 764 O ASP A 47 28.707 -1.596 10.419 1.00 0.00 O ATOM 765 CB ASP A 47 31.950 -2.161 10.446 1.00 0.00 C ATOM 766 CG ASP A 47 31.351 -3.166 9.489 1.00 0.00 C ATOM 767 OD1 ASP A 47 31.025 -2.783 8.344 1.00 0.00 O ATOM 768 OD2 ASP A 47 31.223 -4.345 9.865 1.00 0.00 O ATOM 0 H ASP A 47 32.528 -0.294 11.985 1.00 0.00 H new ATOM 0 HA ASP A 47 30.850 -0.441 9.787 1.00 0.00 H new ATOM 0 HB2 ASP A 47 32.886 -1.783 10.035 1.00 0.00 H new ATOM 0 HB3 ASP A 47 32.191 -2.656 11.387 1.00 0.00 H new ATOM 773 N LYS A 48 29.604 -1.895 12.467 1.00 0.00 N ATOM 774 CA LYS A 48 28.355 -2.347 13.081 1.00 0.00 C ATOM 775 C LYS A 48 27.236 -1.273 12.904 1.00 0.00 C ATOM 776 O LYS A 48 27.382 -0.151 13.385 1.00 0.00 O ATOM 777 CB LYS A 48 28.575 -2.632 14.583 1.00 0.00 C ATOM 778 CG LYS A 48 27.358 -3.210 15.292 1.00 0.00 C ATOM 779 CD LYS A 48 27.701 -3.668 16.705 1.00 0.00 C ATOM 780 CE LYS A 48 28.043 -2.500 17.621 1.00 0.00 C ATOM 781 NZ LYS A 48 26.849 -1.679 17.946 1.00 0.00 N ATOM 0 H LYS A 48 30.407 -1.902 13.095 1.00 0.00 H new ATOM 0 HA LYS A 48 28.040 -3.265 12.585 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.409 -3.326 14.692 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.865 -1.706 15.079 1.00 0.00 H new ATOM 0 HG2 LYS A 48 26.569 -2.459 15.333 1.00 0.00 H new ATOM 0 HG3 LYS A 48 26.968 -4.052 14.720 1.00 0.00 H new ATOM 0 HD2 LYS A 48 26.858 -4.219 17.121 1.00 0.00 H new ATOM 0 HD3 LYS A 48 28.545 -4.357 16.667 1.00 0.00 H new ATOM 0 HE2 LYS A 48 28.484 -2.879 18.543 1.00 0.00 H new ATOM 0 HE3 LYS A 48 28.795 -1.872 17.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 26.955 -0.732 17.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 25.998 -2.134 17.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 26.756 -1.595 18.978 1.00 0.00 H new ATOM 795 N LEU A 49 26.119 -1.619 12.231 1.00 0.00 N ATOM 796 CA LEU A 49 25.051 -0.659 11.979 1.00 0.00 C ATOM 797 C LEU A 49 23.861 -0.929 12.894 1.00 0.00 C ATOM 798 O LEU A 49 22.781 -0.369 12.700 1.00 0.00 O ATOM 799 CB LEU A 49 24.615 -0.740 10.515 1.00 0.00 C ATOM 800 CG LEU A 49 25.714 -0.479 9.478 1.00 0.00 C ATOM 801 CD1 LEU A 49 25.197 -0.753 8.077 1.00 0.00 C ATOM 802 CD2 LEU A 49 26.226 0.953 9.589 1.00 0.00 C ATOM 0 H LEU A 49 25.944 -2.552 11.859 1.00 0.00 H new ATOM 0 HA LEU A 49 25.426 0.343 12.187 1.00 0.00 H new ATOM 0 HB2 LEU A 49 24.198 -1.731 10.334 1.00 0.00 H new ATOM 0 HB3 LEU A 49 23.811 -0.021 10.354 1.00 0.00 H new ATOM 0 HG LEU A 49 26.544 -1.156 9.678 1.00 0.00 H new ATOM 0 HD11 LEU A 49 25.989 -0.563 7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 49 24.880 -1.793 8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 49 24.350 -0.100 7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 49 27.005 1.119 8.845 1.00 0.00 H new ATOM 0 HD22 LEU A 49 25.404 1.648 9.415 1.00 0.00 H new ATOM 0 HD23 LEU A 49 26.635 1.117 10.586 1.00 0.00 H new ATOM 814 N ALA A 50 24.111 -1.771 13.907 1.00 0.00 N ATOM 815 CA ALA A 50 23.106 -2.202 14.902 1.00 0.00 C ATOM 816 C ALA A 50 23.550 -3.476 15.599 1.00 0.00 C ATOM 817 O ALA A 50 24.318 -3.430 16.563 1.00 0.00 O ATOM 818 CB ALA A 50 21.719 -2.418 14.277 1.00 0.00 C ATOM 0 H ALA A 50 25.031 -2.181 14.065 1.00 0.00 H new ATOM 0 HA ALA A 50 23.024 -1.395 15.630 1.00 0.00 H new ATOM 0 HB1 ALA A 50 21.017 -2.734 15.049 1.00 0.00 H new ATOM 0 HB2 ALA A 50 21.372 -1.486 13.830 1.00 0.00 H new ATOM 0 HB3 ALA A 50 21.782 -3.188 13.508 1.00 0.00 H new ATOM 824 N ASP A 51 23.074 -4.615 15.078 1.00 0.00 N ATOM 825 CA ASP A 51 23.373 -5.941 15.629 1.00 0.00 C ATOM 826 C ASP A 51 22.965 -6.034 17.097 1.00 0.00 C ATOM 827 O ASP A 51 22.179 -5.208 17.583 1.00 0.00 O ATOM 828 CB ASP A 51 24.859 -6.300 15.447 1.00 0.00 C ATOM 829 CG ASP A 51 25.249 -6.440 13.987 1.00 0.00 C ATOM 830 OD1 ASP A 51 24.549 -7.168 13.246 1.00 0.00 O ATOM 831 OD2 ASP A 51 26.252 -5.826 13.572 1.00 0.00 O ATOM 0 H ASP A 51 22.468 -4.641 14.258 1.00 0.00 H new ATOM 0 HA ASP A 51 22.784 -6.669 15.071 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.475 -5.530 15.912 1.00 0.00 H new ATOM 0 HB3 ASP A 51 25.070 -7.234 15.967 1.00 0.00 H new ATOM 836 N TYR A 52 23.476 -7.050 17.786 1.00 0.00 N ATOM 837 CA TYR A 52 23.191 -7.274 19.201 1.00 0.00 C ATOM 838 C TYR A 52 21.715 -7.624 19.411 1.00 0.00 C ATOM 839 O TYR A 52 21.348 -8.794 19.160 1.00 0.00 O ATOM 840 CB TYR A 52 23.605 -6.051 20.046 1.00 0.00 C ATOM 841 CG TYR A 52 23.538 -6.277 21.541 1.00 0.00 C ATOM 842 CD1 TYR A 52 24.286 -7.278 22.141 1.00 0.00 C ATOM 843 CD2 TYR A 52 22.735 -5.482 22.350 1.00 0.00 C ATOM 844 CE1 TYR A 52 24.236 -7.484 23.503 1.00 0.00 C ATOM 845 CE2 TYR A 52 22.679 -5.685 23.714 1.00 0.00 C ATOM 846 CZ TYR A 52 23.432 -6.687 24.285 1.00 0.00 C ATOM 847 OH TYR A 52 23.384 -6.890 25.644 1.00 0.00 O ATOM 848 OXT TYR A 52 20.933 -6.750 19.828 1.00 0.00 O ATOM 0 H TYR A 52 24.102 -7.744 17.378 1.00 0.00 H new ATOM 0 HA TYR A 52 23.784 -8.124 19.538 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.623 -5.767 19.778 1.00 0.00 H new ATOM 0 HB3 TYR A 52 22.961 -5.211 19.788 1.00 0.00 H new ATOM 0 HD1 TYR A 52 24.918 -7.907 21.531 1.00 0.00 H new ATOM 0 HD2 TYR A 52 22.146 -4.694 21.905 1.00 0.00 H new ATOM 0 HE1 TYR A 52 24.826 -8.268 23.955 1.00 0.00 H new ATOM 0 HE2 TYR A 52 22.048 -5.062 24.330 1.00 0.00 H new ATOM 0 HH TYR A 52 22.770 -6.243 26.050 1.00 0.00 H new TER 858 TYR A 52