USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 510 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 37 TYR OH : rot 3:sc= 1.21 USER MOD Set 1.2: A 55 MET CE :methyl -167:sc= -0.0836 (180deg=-0.392) USER MOD Set 2.1: A 29 ASN : amide:sc= 0.787 K(o=1.3,f=-2.6!) USER MOD Set 2.2: A 32 SER OG : rot 149:sc= 0.506 USER MOD Single : A 1 MET CE :methyl -172:sc= -0.0209 (180deg=-0.125) USER MOD Single : A 1 MET N :NH3+ -139:sc= 1.08 (180deg=0.0896) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 170:sc= 0.607 (180deg=0.506) USER MOD Single : A 12 THR OG1 : rot 58:sc= 0.0528 USER MOD Single : A 18 SER OG : rot 129:sc= 0.961 USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0.9 (180deg=0.835) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.927 K(o=0.93,f=0.25) USER MOD Single : A 35 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.18) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.356 X(o=0.36,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0.505 (180deg=0.497) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0.299 (180deg=0.242) USER MOD Single : A 51 ASN : amide:sc= 0.768 K(o=0.77,f=-0.49) USER MOD Single : A 52 TYR OH : rot -31:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.549 3.222 3.157 1.00 0.00 N ATOM 2 CA MET A 1 12.179 1.945 3.756 1.00 0.00 C ATOM 3 C MET A 1 11.254 1.140 2.820 1.00 0.00 C ATOM 4 O MET A 1 10.192 0.671 3.228 1.00 0.00 O ATOM 5 CB MET A 1 11.615 2.163 5.181 1.00 0.00 C ATOM 6 CG MET A 1 10.307 2.973 5.320 1.00 0.00 C ATOM 7 SD MET A 1 10.294 4.731 4.851 1.00 0.00 S ATOM 8 CE MET A 1 11.624 5.379 5.894 1.00 0.00 C ATOM 0 H1 MET A 1 13.554 3.414 3.342 1.00 0.00 H new ATOM 0 H2 MET A 1 12.387 3.184 2.130 1.00 0.00 H new ATOM 0 H3 MET A 1 11.970 3.980 3.571 1.00 0.00 H new ATOM 0 HA MET A 1 13.068 1.326 3.877 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.452 1.183 5.631 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.383 2.662 5.773 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.545 2.470 4.725 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.991 2.909 6.361 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.643 6.467 5.826 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.452 5.083 6.929 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.580 4.978 5.556 1.00 0.00 H new ATOM 19 N GLU A 2 11.674 0.960 1.556 1.00 0.00 N ATOM 20 CA GLU A 2 10.881 0.344 0.493 1.00 0.00 C ATOM 21 C GLU A 2 10.500 -1.119 0.785 1.00 0.00 C ATOM 22 O GLU A 2 11.264 -1.862 1.403 1.00 0.00 O ATOM 23 CB GLU A 2 11.595 0.502 -0.863 1.00 0.00 C ATOM 24 CG GLU A 2 12.950 -0.222 -0.952 1.00 0.00 C ATOM 25 CD GLU A 2 13.591 -0.045 -2.330 1.00 0.00 C ATOM 26 OE1 GLU A 2 14.017 1.096 -2.616 1.00 0.00 O ATOM 27 OE2 GLU A 2 13.637 -1.046 -3.078 1.00 0.00 O ATOM 0 H GLU A 2 12.601 1.249 1.243 1.00 0.00 H new ATOM 0 HA GLU A 2 9.932 0.878 0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.942 0.125 -1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.750 1.563 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.621 0.164 -0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.811 -1.284 -0.748 1.00 0.00 H new ATOM 34 N ALA A 3 9.299 -1.512 0.335 1.00 0.00 N ATOM 35 CA ALA A 3 8.700 -2.838 0.495 1.00 0.00 C ATOM 36 C ALA A 3 8.449 -3.503 -0.871 1.00 0.00 C ATOM 37 O ALA A 3 8.753 -2.931 -1.918 1.00 0.00 O ATOM 38 CB ALA A 3 7.397 -2.692 1.300 1.00 0.00 C ATOM 0 H ALA A 3 8.689 -0.875 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 3 9.387 -3.489 1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.937 -3.672 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.619 -2.264 2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.710 -2.036 0.765 1.00 0.00 H new ATOM 44 N ILE A 4 7.866 -4.712 -0.853 1.00 0.00 N ATOM 45 CA ILE A 4 7.351 -5.419 -2.031 1.00 0.00 C ATOM 46 C ILE A 4 5.855 -5.712 -1.829 1.00 0.00 C ATOM 47 O ILE A 4 5.402 -5.918 -0.704 1.00 0.00 O ATOM 48 CB ILE A 4 8.211 -6.683 -2.343 1.00 0.00 C ATOM 49 CG1 ILE A 4 7.494 -8.034 -2.132 1.00 0.00 C ATOM 50 CG2 ILE A 4 8.699 -6.625 -3.798 1.00 0.00 C ATOM 51 CD1 ILE A 4 8.425 -9.254 -2.165 1.00 0.00 C ATOM 0 H ILE A 4 7.737 -5.239 0.011 1.00 0.00 H new ATOM 0 HA ILE A 4 7.436 -4.792 -2.919 1.00 0.00 H new ATOM 0 HB ILE A 4 9.031 -6.651 -1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.977 -8.012 -1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.732 -8.152 -2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.300 -7.508 -4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.840 -6.596 -4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.304 -5.730 -3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.841 -10.161 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.923 -9.305 -3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.172 -9.163 -1.377 1.00 0.00 H new ATOM 63 N ALA A 5 5.082 -5.741 -2.919 1.00 0.00 N ATOM 64 CA ALA A 5 3.679 -6.141 -2.925 1.00 0.00 C ATOM 65 C ALA A 5 3.536 -7.645 -2.628 1.00 0.00 C ATOM 66 O ALA A 5 4.162 -8.467 -3.296 1.00 0.00 O ATOM 67 CB ALA A 5 3.084 -5.802 -4.293 1.00 0.00 C ATOM 0 H ALA A 5 5.427 -5.480 -3.843 1.00 0.00 H new ATOM 0 HA ALA A 5 3.142 -5.602 -2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.034 -6.095 -4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.166 -4.730 -4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.627 -6.340 -5.070 1.00 0.00 H new ATOM 73 N LYS A 6 2.701 -8.001 -1.640 1.00 0.00 N ATOM 74 CA LYS A 6 2.394 -9.380 -1.251 1.00 0.00 C ATOM 75 C LYS A 6 1.081 -9.870 -1.890 1.00 0.00 C ATOM 76 O LYS A 6 0.967 -11.049 -2.228 1.00 0.00 O ATOM 77 CB LYS A 6 2.356 -9.475 0.285 1.00 0.00 C ATOM 78 CG LYS A 6 2.337 -10.926 0.791 1.00 0.00 C ATOM 79 CD LYS A 6 2.429 -10.958 2.326 1.00 0.00 C ATOM 80 CE LYS A 6 2.677 -12.371 2.873 1.00 0.00 C ATOM 81 NZ LYS A 6 1.562 -13.287 2.574 1.00 0.00 N ATOM 0 H LYS A 6 2.206 -7.312 -1.073 1.00 0.00 H new ATOM 0 HA LYS A 6 3.178 -10.039 -1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.225 -8.962 0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.473 -8.954 0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.422 -11.420 0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.170 -11.480 0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.234 -10.300 2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.505 -10.565 2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.597 -12.769 2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.824 -12.321 3.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.773 -14.229 2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.688 -12.923 3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.437 -13.357 1.544 1.00 0.00 H new ATOM 95 N VAL A 7 0.091 -8.974 -2.038 1.00 0.00 N ATOM 96 CA VAL A 7 -1.234 -9.233 -2.605 1.00 0.00 C ATOM 97 C VAL A 7 -1.568 -8.162 -3.662 1.00 0.00 C ATOM 98 O VAL A 7 -1.149 -7.010 -3.543 1.00 0.00 O ATOM 99 CB VAL A 7 -2.285 -9.279 -1.471 1.00 0.00 C ATOM 100 CG1 VAL A 7 -3.684 -9.630 -2.007 1.00 0.00 C ATOM 101 CG2 VAL A 7 -1.910 -10.297 -0.379 1.00 0.00 C ATOM 0 H VAL A 7 0.203 -8.002 -1.750 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.244 -10.202 -3.105 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.301 -8.279 -1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.395 -9.653 -1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.995 -8.878 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.655 -10.608 -2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.675 -10.296 0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.839 -11.292 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.949 -10.024 0.058 1.00 0.00 H new ATOM 111 N ASP A 8 -2.328 -8.546 -4.700 1.00 0.00 N ATOM 112 CA ASP A 8 -2.695 -7.696 -5.833 1.00 0.00 C ATOM 113 C ASP A 8 -3.763 -6.658 -5.437 1.00 0.00 C ATOM 114 O ASP A 8 -4.955 -6.848 -5.692 1.00 0.00 O ATOM 115 CB ASP A 8 -3.163 -8.576 -7.011 1.00 0.00 C ATOM 116 CG ASP A 8 -2.094 -9.498 -7.607 1.00 0.00 C ATOM 117 OD1 ASP A 8 -0.935 -9.440 -7.148 1.00 0.00 O ATOM 118 OD2 ASP A 8 -2.451 -10.237 -8.550 1.00 0.00 O ATOM 0 H ASP A 8 -2.714 -9.487 -4.772 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.817 -7.133 -6.149 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.000 -9.188 -6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.540 -7.926 -7.801 1.00 0.00 H new ATOM 123 N PHE A 9 -3.318 -5.545 -4.838 1.00 0.00 N ATOM 124 CA PHE A 9 -4.154 -4.412 -4.446 1.00 0.00 C ATOM 125 C PHE A 9 -4.560 -3.588 -5.681 1.00 0.00 C ATOM 126 O PHE A 9 -3.918 -2.594 -6.013 1.00 0.00 O ATOM 127 CB PHE A 9 -3.417 -3.549 -3.406 1.00 0.00 C ATOM 128 CG PHE A 9 -4.252 -2.401 -2.865 1.00 0.00 C ATOM 129 CD1 PHE A 9 -5.490 -2.672 -2.237 1.00 0.00 C ATOM 130 CD2 PHE A 9 -3.876 -1.062 -3.119 1.00 0.00 C ATOM 131 CE1 PHE A 9 -6.365 -1.616 -1.907 1.00 0.00 C ATOM 132 CE2 PHE A 9 -4.735 -0.005 -2.757 1.00 0.00 C ATOM 133 CZ PHE A 9 -5.999 -0.286 -2.195 1.00 0.00 C ATOM 0 H PHE A 9 -2.334 -5.408 -4.607 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.069 -4.785 -3.987 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.105 -4.183 -2.576 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.510 -3.146 -3.858 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.766 -3.691 -2.009 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.929 -0.849 -3.591 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.313 -1.826 -1.435 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.427 1.019 -2.909 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.687 0.520 -1.985 1.00 0.00 H new ATOM 143 N LYS A 10 -5.638 -4.003 -6.357 1.00 0.00 N ATOM 144 CA LYS A 10 -6.097 -3.439 -7.626 1.00 0.00 C ATOM 145 C LYS A 10 -7.085 -2.274 -7.417 1.00 0.00 C ATOM 146 O LYS A 10 -8.246 -2.348 -7.816 1.00 0.00 O ATOM 147 CB LYS A 10 -6.628 -4.579 -8.524 1.00 0.00 C ATOM 148 CG LYS A 10 -7.783 -5.408 -7.923 1.00 0.00 C ATOM 149 CD LYS A 10 -8.182 -6.598 -8.814 1.00 0.00 C ATOM 150 CE LYS A 10 -7.085 -7.663 -8.992 1.00 0.00 C ATOM 151 NZ LYS A 10 -6.597 -8.192 -7.703 1.00 0.00 N ATOM 0 H LYS A 10 -6.231 -4.763 -6.024 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.260 -2.980 -8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.964 -4.149 -9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.802 -5.252 -8.756 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.488 -5.777 -6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.649 -4.763 -7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.066 -7.073 -8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.466 -6.220 -9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.474 -8.484 -9.594 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.250 -7.231 -9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.989 -9.018 -7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.051 -7.456 -7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.407 -8.475 -7.115 1.00 0.00 H new ATOM 165 N ALA A 11 -6.606 -1.170 -6.818 1.00 0.00 N ATOM 166 CA ALA A 11 -7.386 0.058 -6.628 1.00 0.00 C ATOM 167 C ALA A 11 -7.624 0.810 -7.951 1.00 0.00 C ATOM 168 O ALA A 11 -6.852 0.680 -8.902 1.00 0.00 O ATOM 169 CB ALA A 11 -6.704 0.972 -5.604 1.00 0.00 C ATOM 0 H ALA A 11 -5.657 -1.108 -6.450 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.364 -0.236 -6.247 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.295 1.878 -5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.623 0.452 -4.649 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.708 1.236 -5.959 1.00 0.00 H new ATOM 175 N THR A 12 -8.701 1.609 -7.995 1.00 0.00 N ATOM 176 CA THR A 12 -9.103 2.428 -9.143 1.00 0.00 C ATOM 177 C THR A 12 -9.513 3.835 -8.670 1.00 0.00 C ATOM 178 O THR A 12 -10.644 4.272 -8.883 1.00 0.00 O ATOM 179 CB THR A 12 -10.209 1.715 -9.955 1.00 0.00 C ATOM 180 OG1 THR A 12 -11.334 1.422 -9.147 1.00 0.00 O ATOM 181 CG2 THR A 12 -9.711 0.414 -10.602 1.00 0.00 C ATOM 0 H THR A 12 -9.337 1.704 -7.203 1.00 0.00 H new ATOM 0 HA THR A 12 -8.257 2.555 -9.819 1.00 0.00 H new ATOM 0 HB THR A 12 -10.496 2.409 -10.745 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.683 2.251 -8.759 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.524 -0.049 -11.161 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.886 0.637 -11.279 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.368 -0.270 -9.826 1.00 0.00 H new ATOM 189 N ALA A 13 -8.572 4.552 -8.036 1.00 0.00 N ATOM 190 CA ALA A 13 -8.751 5.910 -7.520 1.00 0.00 C ATOM 191 C ALA A 13 -7.389 6.603 -7.357 1.00 0.00 C ATOM 192 O ALA A 13 -6.409 5.960 -6.979 1.00 0.00 O ATOM 193 CB ALA A 13 -9.496 5.863 -6.177 1.00 0.00 C ATOM 0 H ALA A 13 -7.635 4.186 -7.865 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.344 6.485 -8.231 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.626 6.876 -5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.473 5.400 -6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.918 5.279 -5.461 1.00 0.00 H new ATOM 199 N ASP A 14 -7.328 7.919 -7.618 1.00 0.00 N ATOM 200 CA ASP A 14 -6.115 8.728 -7.480 1.00 0.00 C ATOM 201 C ASP A 14 -5.916 9.159 -6.011 1.00 0.00 C ATOM 202 O ASP A 14 -5.873 10.346 -5.690 1.00 0.00 O ATOM 203 CB ASP A 14 -6.177 9.899 -8.482 1.00 0.00 C ATOM 204 CG ASP A 14 -4.864 10.683 -8.579 1.00 0.00 C ATOM 205 OD1 ASP A 14 -3.803 10.021 -8.621 1.00 0.00 O ATOM 206 OD2 ASP A 14 -4.942 11.930 -8.626 1.00 0.00 O ATOM 0 H ASP A 14 -8.135 8.455 -7.936 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.228 8.145 -7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.435 9.512 -9.468 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.977 10.578 -8.188 1.00 0.00 H new ATOM 211 N ASP A 15 -5.787 8.160 -5.127 1.00 0.00 N ATOM 212 CA ASP A 15 -5.532 8.285 -3.693 1.00 0.00 C ATOM 213 C ASP A 15 -4.976 6.942 -3.191 1.00 0.00 C ATOM 214 O ASP A 15 -3.860 6.885 -2.678 1.00 0.00 O ATOM 215 CB ASP A 15 -6.812 8.725 -2.953 1.00 0.00 C ATOM 216 CG ASP A 15 -6.550 9.027 -1.476 1.00 0.00 C ATOM 217 OD1 ASP A 15 -5.714 9.919 -1.216 1.00 0.00 O ATOM 218 OD2 ASP A 15 -7.189 8.367 -0.628 1.00 0.00 O ATOM 0 H ASP A 15 -5.863 7.185 -5.416 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.793 9.060 -3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.223 9.612 -3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.564 7.941 -3.034 1.00 0.00 H new ATOM 223 N GLU A 16 -5.734 5.853 -3.397 1.00 0.00 N ATOM 224 CA GLU A 16 -5.296 4.476 -3.197 1.00 0.00 C ATOM 225 C GLU A 16 -4.307 4.143 -4.327 1.00 0.00 C ATOM 226 O GLU A 16 -4.688 4.147 -5.497 1.00 0.00 O ATOM 227 CB GLU A 16 -6.518 3.539 -3.230 1.00 0.00 C ATOM 228 CG GLU A 16 -7.352 3.568 -1.938 1.00 0.00 C ATOM 229 CD GLU A 16 -7.954 4.935 -1.625 1.00 0.00 C ATOM 230 OE1 GLU A 16 -8.697 5.446 -2.491 1.00 0.00 O ATOM 231 OE2 GLU A 16 -7.670 5.442 -0.517 1.00 0.00 O ATOM 0 H GLU A 16 -6.700 5.917 -3.718 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.808 4.347 -2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.155 3.816 -4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.178 2.519 -3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.156 2.837 -2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.723 3.258 -1.103 1.00 0.00 H new ATOM 238 N LEU A 17 -3.035 3.892 -3.980 1.00 0.00 N ATOM 239 CA LEU A 17 -1.914 3.771 -4.916 1.00 0.00 C ATOM 240 C LEU A 17 -2.219 2.880 -6.136 1.00 0.00 C ATOM 241 O LEU A 17 -2.104 3.336 -7.274 1.00 0.00 O ATOM 242 CB LEU A 17 -0.644 3.289 -4.179 1.00 0.00 C ATOM 243 CG LEU A 17 0.660 3.944 -4.677 1.00 0.00 C ATOM 244 CD1 LEU A 17 1.862 3.186 -4.107 1.00 0.00 C ATOM 245 CD2 LEU A 17 0.795 4.067 -6.198 1.00 0.00 C ATOM 0 H LEU A 17 -2.753 3.764 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.739 4.770 -5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.756 3.492 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.561 2.208 -4.291 1.00 0.00 H new ATOM 0 HG LEU A 17 0.626 4.971 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.784 3.649 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.831 3.221 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.828 2.148 -4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.746 4.540 -6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.757 3.075 -6.648 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.022 4.673 -6.588 1.00 0.00 H new ATOM 257 N SER A 18 -2.599 1.620 -5.867 1.00 0.00 N ATOM 258 CA SER A 18 -2.834 0.528 -6.813 1.00 0.00 C ATOM 259 C SER A 18 -1.514 -0.161 -7.201 1.00 0.00 C ATOM 260 O SER A 18 -0.568 0.513 -7.610 1.00 0.00 O ATOM 261 CB SER A 18 -3.635 0.970 -8.051 1.00 0.00 C ATOM 262 OG SER A 18 -4.175 -0.169 -8.691 1.00 0.00 O ATOM 0 H SER A 18 -2.761 1.320 -4.906 1.00 0.00 H new ATOM 0 HA SER A 18 -3.457 -0.204 -6.300 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.435 1.649 -7.757 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.990 1.516 -8.739 1.00 0.00 H new ATOM 0 HG SER A 18 -5.134 -0.035 -8.842 1.00 0.00 H new ATOM 268 N PHE A 19 -1.444 -1.495 -7.060 1.00 0.00 N ATOM 269 CA PHE A 19 -0.239 -2.295 -7.296 1.00 0.00 C ATOM 270 C PHE A 19 -0.543 -3.795 -7.471 1.00 0.00 C ATOM 271 O PHE A 19 -1.637 -4.264 -7.156 1.00 0.00 O ATOM 272 CB PHE A 19 0.779 -2.054 -6.165 1.00 0.00 C ATOM 273 CG PHE A 19 0.315 -2.406 -4.758 1.00 0.00 C ATOM 274 CD1 PHE A 19 0.388 -3.739 -4.296 1.00 0.00 C ATOM 275 CD2 PHE A 19 -0.119 -1.388 -3.879 1.00 0.00 C ATOM 276 CE1 PHE A 19 0.133 -4.037 -2.940 1.00 0.00 C ATOM 277 CE2 PHE A 19 -0.434 -1.697 -2.540 1.00 0.00 C ATOM 278 CZ PHE A 19 -0.275 -3.014 -2.060 1.00 0.00 C ATOM 0 H PHE A 19 -2.245 -2.057 -6.772 1.00 0.00 H new ATOM 0 HA PHE A 19 0.195 -1.967 -8.241 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.678 -2.631 -6.384 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.064 -1.002 -6.179 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.640 -4.533 -4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.209 -0.372 -4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.250 -5.047 -2.577 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.798 -0.923 -1.880 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.465 -3.238 -1.021 1.00 0.00 H new ATOM 288 N LYS A 20 0.459 -4.543 -7.964 1.00 0.00 N ATOM 289 CA LYS A 20 0.433 -5.993 -8.178 1.00 0.00 C ATOM 290 C LYS A 20 1.641 -6.660 -7.493 1.00 0.00 C ATOM 291 O LYS A 20 2.707 -6.054 -7.390 1.00 0.00 O ATOM 292 CB LYS A 20 0.394 -6.285 -9.691 1.00 0.00 C ATOM 293 CG LYS A 20 0.100 -7.766 -9.978 1.00 0.00 C ATOM 294 CD LYS A 20 -0.052 -8.039 -11.481 1.00 0.00 C ATOM 295 CE LYS A 20 -0.323 -9.525 -11.769 1.00 0.00 C ATOM 296 NZ LYS A 20 -1.621 -9.980 -11.231 1.00 0.00 N ATOM 0 H LYS A 20 1.351 -4.129 -8.236 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.464 -6.417 -7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.369 -5.665 -10.161 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.349 -6.010 -10.139 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.906 -8.380 -9.577 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.813 -8.062 -9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.869 -7.437 -11.879 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.855 -7.728 -12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.301 -9.692 -12.846 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.476 -10.127 -11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.801 -10.957 -11.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.598 -9.943 -10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.379 -9.361 -11.583 1.00 0.00 H new ATOM 310 N ARG A 21 1.473 -7.911 -7.030 1.00 0.00 N ATOM 311 CA ARG A 21 2.470 -8.716 -6.316 1.00 0.00 C ATOM 312 C ARG A 21 3.873 -8.655 -6.953 1.00 0.00 C ATOM 313 O ARG A 21 4.019 -8.822 -8.164 1.00 0.00 O ATOM 314 CB ARG A 21 1.966 -10.164 -6.207 1.00 0.00 C ATOM 315 CG ARG A 21 2.905 -11.081 -5.405 1.00 0.00 C ATOM 316 CD ARG A 21 2.370 -12.518 -5.317 1.00 0.00 C ATOM 317 NE ARG A 21 1.091 -12.585 -4.587 1.00 0.00 N ATOM 318 CZ ARG A 21 -0.149 -12.571 -5.111 1.00 0.00 C ATOM 319 NH1 ARG A 21 -0.360 -12.498 -6.430 1.00 0.00 N ATOM 320 NH2 ARG A 21 -1.203 -12.618 -4.291 1.00 0.00 N ATOM 0 H ARG A 21 0.592 -8.410 -7.152 1.00 0.00 H new ATOM 0 HA ARG A 21 2.588 -8.291 -5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.982 -10.164 -5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.840 -10.573 -7.209 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.890 -11.089 -5.872 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.032 -10.679 -4.400 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.236 -12.917 -6.322 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.106 -13.149 -4.819 1.00 0.00 H new ATOM 0 HE ARG A 21 1.152 -12.649 -3.571 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.432 -12.451 -7.071 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.313 -12.489 -6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.062 -12.664 -3.282 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.148 -12.608 -4.674 1.00 0.00 H new ATOM 334 N GLY A 22 4.897 -8.414 -6.121 1.00 0.00 N ATOM 335 CA GLY A 22 6.300 -8.299 -6.511 1.00 0.00 C ATOM 336 C GLY A 22 6.726 -6.907 -7.002 1.00 0.00 C ATOM 337 O GLY A 22 7.927 -6.677 -7.150 1.00 0.00 O ATOM 0 H GLY A 22 4.759 -8.290 -5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.922 -8.573 -5.659 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.503 -9.024 -7.300 1.00 0.00 H new ATOM 341 N ASP A 23 5.790 -5.968 -7.230 1.00 0.00 N ATOM 342 CA ASP A 23 6.105 -4.576 -7.527 1.00 0.00 C ATOM 343 C ASP A 23 6.751 -3.926 -6.294 1.00 0.00 C ATOM 344 O ASP A 23 6.298 -4.125 -5.165 1.00 0.00 O ATOM 345 CB ASP A 23 4.831 -3.826 -7.964 1.00 0.00 C ATOM 346 CG ASP A 23 5.075 -2.473 -8.628 1.00 0.00 C ATOM 347 OD1 ASP A 23 6.256 -2.100 -8.801 1.00 0.00 O ATOM 348 OD2 ASP A 23 4.052 -1.846 -8.978 1.00 0.00 O ATOM 0 H ASP A 23 4.789 -6.164 -7.211 1.00 0.00 H new ATOM 0 HA ASP A 23 6.815 -4.524 -8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.274 -4.458 -8.656 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.198 -3.676 -7.090 1.00 0.00 H new ATOM 353 N ILE A 24 7.828 -3.171 -6.521 1.00 0.00 N ATOM 354 CA ILE A 24 8.604 -2.492 -5.487 1.00 0.00 C ATOM 355 C ILE A 24 7.869 -1.207 -5.077 1.00 0.00 C ATOM 356 O ILE A 24 7.805 -0.255 -5.855 1.00 0.00 O ATOM 357 CB ILE A 24 10.046 -2.213 -5.979 1.00 0.00 C ATOM 358 CG1 ILE A 24 10.754 -3.534 -6.358 1.00 0.00 C ATOM 359 CG2 ILE A 24 10.847 -1.464 -4.895 1.00 0.00 C ATOM 360 CD1 ILE A 24 12.158 -3.333 -6.945 1.00 0.00 C ATOM 0 H ILE A 24 8.194 -3.012 -7.460 1.00 0.00 H new ATOM 0 HA ILE A 24 8.695 -3.131 -4.608 1.00 0.00 H new ATOM 0 HB ILE A 24 9.993 -1.584 -6.868 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.827 -4.165 -5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.140 -4.071 -7.082 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.858 -1.275 -5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.358 -0.516 -4.672 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.892 -2.071 -3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.593 -4.303 -7.187 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.091 -2.729 -7.850 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.788 -2.824 -6.215 1.00 0.00 H new ATOM 372 N LEU A 25 7.372 -1.162 -3.834 1.00 0.00 N ATOM 373 CA LEU A 25 6.695 -0.004 -3.259 1.00 0.00 C ATOM 374 C LEU A 25 7.762 0.877 -2.604 1.00 0.00 C ATOM 375 O LEU A 25 8.418 0.459 -1.650 1.00 0.00 O ATOM 376 CB LEU A 25 5.657 -0.443 -2.203 1.00 0.00 C ATOM 377 CG LEU A 25 4.296 -0.917 -2.750 1.00 0.00 C ATOM 378 CD1 LEU A 25 3.587 0.184 -3.547 1.00 0.00 C ATOM 379 CD2 LEU A 25 4.396 -2.189 -3.597 1.00 0.00 C ATOM 0 H LEU A 25 7.434 -1.950 -3.190 1.00 0.00 H new ATOM 0 HA LEU A 25 6.164 0.542 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.089 -1.250 -1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.483 0.392 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 25 3.700 -1.156 -1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.632 -0.191 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.415 1.046 -2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.210 0.481 -4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.404 -2.469 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.048 -2.007 -4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.807 -2.997 -2.992 1.00 0.00 H new ATOM 391 N LYS A 26 7.918 2.104 -3.117 1.00 0.00 N ATOM 392 CA LYS A 26 8.925 3.068 -2.690 1.00 0.00 C ATOM 393 C LYS A 26 8.283 3.876 -1.557 1.00 0.00 C ATOM 394 O LYS A 26 7.603 4.869 -1.812 1.00 0.00 O ATOM 395 CB LYS A 26 9.321 3.945 -3.894 1.00 0.00 C ATOM 396 CG LYS A 26 9.873 3.115 -5.067 1.00 0.00 C ATOM 397 CD LYS A 26 10.011 3.977 -6.331 1.00 0.00 C ATOM 398 CE LYS A 26 10.438 3.114 -7.526 1.00 0.00 C ATOM 399 NZ LYS A 26 10.480 3.900 -8.773 1.00 0.00 N ATOM 0 H LYS A 26 7.324 2.459 -3.866 1.00 0.00 H new ATOM 0 HA LYS A 26 9.842 2.600 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.452 4.511 -4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.072 4.670 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.844 2.699 -4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.209 2.274 -5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.062 4.467 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.745 4.765 -6.163 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.421 2.684 -7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.743 2.282 -7.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.772 3.287 -9.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.536 4.290 -8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.162 4.679 -8.670 1.00 0.00 H new ATOM 413 N VAL A 27 8.514 3.455 -0.305 1.00 0.00 N ATOM 414 CA VAL A 27 7.798 3.958 0.867 1.00 0.00 C ATOM 415 C VAL A 27 8.484 5.190 1.461 1.00 0.00 C ATOM 416 O VAL A 27 9.710 5.283 1.525 1.00 0.00 O ATOM 417 CB VAL A 27 7.666 2.841 1.927 1.00 0.00 C ATOM 418 CG1 VAL A 27 7.008 3.335 3.227 1.00 0.00 C ATOM 419 CG2 VAL A 27 6.822 1.672 1.402 1.00 0.00 C ATOM 0 H VAL A 27 9.213 2.747 -0.080 1.00 0.00 H new ATOM 0 HA VAL A 27 6.801 4.264 0.548 1.00 0.00 H new ATOM 0 HB VAL A 27 8.686 2.519 2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.940 2.510 3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.609 4.136 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.008 3.709 3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.748 0.903 2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.824 2.029 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.294 1.253 0.513 1.00 0.00 H new ATOM 429 N LEU A 28 7.635 6.133 1.885 1.00 0.00 N ATOM 430 CA LEU A 28 7.982 7.439 2.435 1.00 0.00 C ATOM 431 C LEU A 28 7.683 7.466 3.944 1.00 0.00 C ATOM 432 O LEU A 28 8.552 7.811 4.743 1.00 0.00 O ATOM 433 CB LEU A 28 7.204 8.541 1.684 1.00 0.00 C ATOM 434 CG LEU A 28 7.289 8.458 0.143 1.00 0.00 C ATOM 435 CD1 LEU A 28 6.459 9.589 -0.485 1.00 0.00 C ATOM 436 CD2 LEU A 28 8.734 8.529 -0.376 1.00 0.00 C ATOM 0 H LEU A 28 6.626 5.991 1.849 1.00 0.00 H new ATOM 0 HA LEU A 28 9.048 7.626 2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.156 8.492 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.580 9.513 2.003 1.00 0.00 H new ATOM 0 HG LEU A 28 6.888 7.487 -0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.522 9.526 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.418 9.492 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.847 10.552 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.733 8.466 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.186 9.472 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.309 7.699 0.035 1.00 0.00 H new ATOM 448 N ASN A 29 6.448 7.101 4.324 1.00 0.00 N ATOM 449 CA ASN A 29 5.948 7.074 5.699 1.00 0.00 C ATOM 450 C ASN A 29 6.205 5.704 6.353 1.00 0.00 C ATOM 451 O ASN A 29 5.984 4.668 5.728 1.00 0.00 O ATOM 452 CB ASN A 29 4.443 7.399 5.672 1.00 0.00 C ATOM 453 CG ASN A 29 3.803 7.427 7.063 1.00 0.00 C ATOM 454 OD1 ASN A 29 3.700 8.482 7.683 1.00 0.00 O ATOM 455 ND2 ASN A 29 3.363 6.269 7.557 1.00 0.00 N ATOM 0 H ASN A 29 5.744 6.805 3.648 1.00 0.00 H new ATOM 0 HA ASN A 29 6.475 7.817 6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.296 8.367 5.193 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.930 6.659 5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.925 6.241 8.478 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.465 5.411 7.014 1.00 0.00 H new ATOM 462 N GLU A 30 6.610 5.711 7.631 1.00 0.00 N ATOM 463 CA GLU A 30 6.802 4.530 8.471 1.00 0.00 C ATOM 464 C GLU A 30 5.426 3.989 8.922 1.00 0.00 C ATOM 465 O GLU A 30 4.591 3.685 8.072 1.00 0.00 O ATOM 466 CB GLU A 30 7.755 4.877 9.639 1.00 0.00 C ATOM 467 CG GLU A 30 9.137 5.405 9.198 1.00 0.00 C ATOM 468 CD GLU A 30 9.168 6.859 8.704 1.00 0.00 C ATOM 469 OE1 GLU A 30 8.186 7.592 8.960 1.00 0.00 O ATOM 470 OE2 GLU A 30 10.192 7.220 8.085 1.00 0.00 O ATOM 0 H GLU A 30 6.820 6.579 8.124 1.00 0.00 H new ATOM 0 HA GLU A 30 7.281 3.725 7.914 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.278 5.626 10.271 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.898 3.987 10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.826 5.311 10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.514 4.762 8.403 1.00 0.00 H new ATOM 477 N GLU A 31 5.160 3.894 10.235 1.00 0.00 N ATOM 478 CA GLU A 31 3.837 3.602 10.793 1.00 0.00 C ATOM 479 C GLU A 31 2.993 4.886 10.792 1.00 0.00 C ATOM 480 O GLU A 31 2.134 5.064 9.929 1.00 0.00 O ATOM 481 CB GLU A 31 3.975 2.980 12.200 1.00 0.00 C ATOM 482 CG GLU A 31 4.359 1.489 12.162 1.00 0.00 C ATOM 483 CD GLU A 31 3.183 0.588 11.771 1.00 0.00 C ATOM 484 OE1 GLU A 31 2.283 0.413 12.622 1.00 0.00 O ATOM 485 OE2 GLU A 31 3.179 0.088 10.626 1.00 0.00 O ATOM 0 H GLU A 31 5.876 4.021 10.950 1.00 0.00 H new ATOM 0 HA GLU A 31 3.321 2.866 10.176 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.730 3.530 12.762 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.033 3.094 12.736 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.174 1.345 11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.732 1.189 13.141 1.00 0.00 H new ATOM 492 N SER A 32 3.255 5.777 11.757 1.00 0.00 N ATOM 493 CA SER A 32 2.590 7.072 11.935 1.00 0.00 C ATOM 494 C SER A 32 1.073 6.895 12.165 1.00 0.00 C ATOM 495 O SER A 32 0.656 5.947 12.832 1.00 0.00 O ATOM 496 CB SER A 32 2.931 8.015 10.759 1.00 0.00 C ATOM 497 OG SER A 32 4.318 8.029 10.477 1.00 0.00 O ATOM 0 H SER A 32 3.968 5.606 12.466 1.00 0.00 H new ATOM 0 HA SER A 32 2.970 7.549 12.838 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.383 7.700 9.871 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.599 9.026 10.996 1.00 0.00 H new ATOM 0 HG SER A 32 4.456 8.191 9.520 1.00 0.00 H new ATOM 503 N ASP A 33 0.245 7.787 11.600 1.00 0.00 N ATOM 504 CA ASP A 33 -1.210 7.675 11.559 1.00 0.00 C ATOM 505 C ASP A 33 -1.656 6.580 10.568 1.00 0.00 C ATOM 506 O ASP A 33 -0.847 6.012 9.833 1.00 0.00 O ATOM 507 CB ASP A 33 -1.805 9.046 11.177 1.00 0.00 C ATOM 508 CG ASP A 33 -1.420 10.148 12.166 1.00 0.00 C ATOM 509 OD1 ASP A 33 -0.332 10.733 11.969 1.00 0.00 O ATOM 510 OD2 ASP A 33 -2.217 10.381 13.100 1.00 0.00 O ATOM 0 H ASP A 33 0.588 8.633 11.145 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.577 7.383 12.543 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.463 9.322 10.180 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.891 8.967 11.131 1.00 0.00 H new ATOM 515 N GLN A 34 -2.970 6.310 10.545 1.00 0.00 N ATOM 516 CA GLN A 34 -3.649 5.396 9.626 1.00 0.00 C ATOM 517 C GLN A 34 -3.176 3.933 9.770 1.00 0.00 C ATOM 518 O GLN A 34 -2.331 3.603 10.604 1.00 0.00 O ATOM 519 CB GLN A 34 -3.499 5.913 8.178 1.00 0.00 C ATOM 520 CG GLN A 34 -4.012 7.351 7.984 1.00 0.00 C ATOM 521 CD GLN A 34 -3.784 7.859 6.557 1.00 0.00 C ATOM 522 OE1 GLN A 34 -2.998 8.776 6.336 1.00 0.00 O ATOM 523 NE2 GLN A 34 -4.475 7.280 5.575 1.00 0.00 N ATOM 0 H GLN A 34 -3.617 6.747 11.202 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.707 5.381 9.889 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.448 5.869 7.892 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.041 5.248 7.505 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.076 7.390 8.216 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.508 8.013 8.688 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.122 6.520 5.786 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.357 7.597 4.613 1.00 0.00 H new ATOM 532 N ASN A 35 -3.740 3.044 8.941 1.00 0.00 N ATOM 533 CA ASN A 35 -3.292 1.659 8.758 1.00 0.00 C ATOM 534 C ASN A 35 -2.804 1.445 7.307 1.00 0.00 C ATOM 535 O ASN A 35 -2.920 0.347 6.759 1.00 0.00 O ATOM 536 CB ASN A 35 -4.436 0.700 9.145 1.00 0.00 C ATOM 537 CG ASN A 35 -4.910 0.771 10.603 1.00 0.00 C ATOM 538 OD1 ASN A 35 -5.986 0.271 10.919 1.00 0.00 O ATOM 539 ND2 ASN A 35 -4.137 1.370 11.510 1.00 0.00 N ATOM 0 H ASN A 35 -4.546 3.278 8.361 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.445 1.446 9.410 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.288 0.903 8.497 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.114 -0.320 8.938 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.437 1.418 12.484 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.246 1.780 11.230 1.00 0.00 H new ATOM 546 N TRP A 36 -2.268 2.511 6.688 1.00 0.00 N ATOM 547 CA TRP A 36 -1.775 2.558 5.316 1.00 0.00 C ATOM 548 C TRP A 36 -0.563 3.503 5.247 1.00 0.00 C ATOM 549 O TRP A 36 -0.547 4.529 5.930 1.00 0.00 O ATOM 550 CB TRP A 36 -2.859 3.069 4.343 1.00 0.00 C ATOM 551 CG TRP A 36 -4.210 2.409 4.277 1.00 0.00 C ATOM 552 CD1 TRP A 36 -5.112 2.273 5.277 1.00 0.00 C ATOM 553 CD2 TRP A 36 -4.915 2.001 3.074 1.00 0.00 C ATOM 554 NE1 TRP A 36 -6.287 1.740 4.789 1.00 0.00 N ATOM 555 CE2 TRP A 36 -6.242 1.605 3.419 1.00 0.00 C ATOM 556 CE3 TRP A 36 -4.577 2.003 1.707 1.00 0.00 C ATOM 557 CZ2 TRP A 36 -7.188 1.232 2.446 1.00 0.00 C ATOM 558 CZ3 TRP A 36 -5.507 1.623 0.719 1.00 0.00 C ATOM 559 CH2 TRP A 36 -6.815 1.239 1.086 1.00 0.00 C ATOM 0 H TRP A 36 -2.165 3.407 7.164 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.495 1.546 5.022 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.028 4.121 4.575 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.434 3.028 3.340 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.937 2.543 6.308 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.086 1.480 5.368 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.583 2.302 1.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -8.187 0.944 2.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.218 1.626 -0.322 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.528 0.951 0.327 1.00 0.00 H new ATOM 570 N TYR A 37 0.434 3.182 4.407 1.00 0.00 N ATOM 571 CA TYR A 37 1.621 4.023 4.188 1.00 0.00 C ATOM 572 C TYR A 37 1.494 4.811 2.879 1.00 0.00 C ATOM 573 O TYR A 37 0.852 4.345 1.940 1.00 0.00 O ATOM 574 CB TYR A 37 2.905 3.175 4.102 1.00 0.00 C ATOM 575 CG TYR A 37 3.180 2.141 5.179 1.00 0.00 C ATOM 576 CD1 TYR A 37 2.566 2.214 6.450 1.00 0.00 C ATOM 577 CD2 TYR A 37 4.144 1.139 4.926 1.00 0.00 C ATOM 578 CE1 TYR A 37 2.914 1.290 7.457 1.00 0.00 C ATOM 579 CE2 TYR A 37 4.502 0.225 5.938 1.00 0.00 C ATOM 580 CZ TYR A 37 3.900 0.311 7.209 1.00 0.00 C ATOM 581 OH TYR A 37 4.280 -0.548 8.196 1.00 0.00 O ATOM 0 H TYR A 37 0.439 2.324 3.856 1.00 0.00 H new ATOM 0 HA TYR A 37 1.684 4.702 5.038 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.892 2.656 3.144 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.751 3.861 4.082 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.830 2.978 6.650 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.608 1.073 3.953 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.425 1.332 8.419 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.237 -0.541 5.739 1.00 0.00 H new ATOM 0 HH TYR A 37 3.745 -0.380 9.000 1.00 0.00 H new ATOM 591 N LYS A 38 2.175 5.962 2.785 1.00 0.00 N ATOM 592 CA LYS A 38 2.329 6.702 1.536 1.00 0.00 C ATOM 593 C LYS A 38 3.592 6.201 0.820 1.00 0.00 C ATOM 594 O LYS A 38 4.670 6.144 1.419 1.00 0.00 O ATOM 595 CB LYS A 38 2.406 8.217 1.785 1.00 0.00 C ATOM 596 CG LYS A 38 1.034 8.816 2.126 1.00 0.00 C ATOM 597 CD LYS A 38 1.101 10.350 2.092 1.00 0.00 C ATOM 598 CE LYS A 38 -0.287 10.967 2.305 1.00 0.00 C ATOM 599 NZ LYS A 38 -0.254 12.434 2.163 1.00 0.00 N ATOM 0 H LYS A 38 2.635 6.404 3.581 1.00 0.00 H new ATOM 0 HA LYS A 38 1.455 6.528 0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.101 8.415 2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.806 8.710 0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.288 8.462 1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.718 8.480 3.114 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.783 10.705 2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.506 10.679 1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.988 10.546 1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.655 10.705 3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.208 12.819 2.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.396 12.836 2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.073 12.683 1.208 1.00 0.00 H new ATOM 613 N ALA A 39 3.435 5.817 -0.454 1.00 0.00 N ATOM 614 CA ALA A 39 4.488 5.255 -1.291 1.00 0.00 C ATOM 615 C ALA A 39 4.272 5.592 -2.771 1.00 0.00 C ATOM 616 O ALA A 39 3.139 5.789 -3.211 1.00 0.00 O ATOM 617 CB ALA A 39 4.540 3.736 -1.089 1.00 0.00 C ATOM 0 H ALA A 39 2.541 5.894 -0.940 1.00 0.00 H new ATOM 0 HA ALA A 39 5.439 5.697 -0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.327 3.313 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.749 3.515 -0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.581 3.299 -1.367 1.00 0.00 H new ATOM 623 N GLU A 40 5.374 5.624 -3.534 1.00 0.00 N ATOM 624 CA GLU A 40 5.416 5.933 -4.961 1.00 0.00 C ATOM 625 C GLU A 40 5.575 4.670 -5.825 1.00 0.00 C ATOM 626 O GLU A 40 6.210 3.692 -5.424 1.00 0.00 O ATOM 627 CB GLU A 40 6.565 6.918 -5.245 1.00 0.00 C ATOM 628 CG GLU A 40 6.159 8.350 -4.879 1.00 0.00 C ATOM 629 CD GLU A 40 7.324 9.329 -5.027 1.00 0.00 C ATOM 630 OE1 GLU A 40 7.509 9.826 -6.160 1.00 0.00 O ATOM 631 OE2 GLU A 40 8.021 9.551 -4.013 1.00 0.00 O ATOM 0 H GLU A 40 6.299 5.426 -3.151 1.00 0.00 H new ATOM 0 HA GLU A 40 4.463 6.389 -5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.447 6.628 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.838 6.871 -6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.335 8.668 -5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.794 8.373 -3.852 1.00 0.00 H new ATOM 638 N LEU A 41 5.022 4.748 -7.043 1.00 0.00 N ATOM 639 CA LEU A 41 5.195 3.795 -8.144 1.00 0.00 C ATOM 640 C LEU A 41 5.346 4.588 -9.459 1.00 0.00 C ATOM 641 O LEU A 41 6.294 5.362 -9.596 1.00 0.00 O ATOM 642 CB LEU A 41 4.048 2.753 -8.166 1.00 0.00 C ATOM 643 CG LEU A 41 4.211 1.586 -7.178 1.00 0.00 C ATOM 644 CD1 LEU A 41 2.918 0.760 -7.146 1.00 0.00 C ATOM 645 CD2 LEU A 41 5.349 0.656 -7.625 1.00 0.00 C ATOM 0 H LEU A 41 4.408 5.521 -7.299 1.00 0.00 H new ATOM 0 HA LEU A 41 6.103 3.208 -8.006 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.109 3.264 -7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.966 2.347 -9.174 1.00 0.00 H new ATOM 0 HG LEU A 41 4.435 2.000 -6.195 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.032 -0.068 -6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.090 1.393 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.712 0.367 -8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.450 -0.164 -6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.124 0.254 -8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.283 1.217 -7.666 1.00 0.00 H new ATOM 657 N ASN A 42 4.437 4.393 -10.428 1.00 0.00 N ATOM 658 CA ASN A 42 4.467 4.969 -11.764 1.00 0.00 C ATOM 659 C ASN A 42 4.057 6.454 -11.731 1.00 0.00 C ATOM 660 O ASN A 42 2.949 6.813 -12.130 1.00 0.00 O ATOM 661 CB ASN A 42 3.598 4.108 -12.706 1.00 0.00 C ATOM 662 CG ASN A 42 3.811 4.439 -14.188 1.00 0.00 C ATOM 663 OD1 ASN A 42 4.471 3.696 -14.908 1.00 0.00 O ATOM 664 ND2 ASN A 42 3.251 5.552 -14.658 1.00 0.00 N ATOM 0 H ASN A 42 3.622 3.797 -10.284 1.00 0.00 H new ATOM 0 HA ASN A 42 5.483 4.957 -12.158 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.824 3.055 -12.539 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.547 4.252 -12.455 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.366 5.805 -15.639 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.707 6.151 -14.037 1.00 0.00 H new ATOM 671 N GLY A 43 4.963 7.314 -11.245 1.00 0.00 N ATOM 672 CA GLY A 43 4.802 8.765 -11.176 1.00 0.00 C ATOM 673 C GLY A 43 3.561 9.234 -10.399 1.00 0.00 C ATOM 674 O GLY A 43 2.964 10.247 -10.761 1.00 0.00 O ATOM 0 H GLY A 43 5.861 7.001 -10.876 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.689 9.194 -10.711 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.751 9.161 -12.190 1.00 0.00 H new ATOM 678 N LYS A 44 3.180 8.512 -9.334 1.00 0.00 N ATOM 679 CA LYS A 44 2.109 8.888 -8.412 1.00 0.00 C ATOM 680 C LYS A 44 2.396 8.332 -7.008 1.00 0.00 C ATOM 681 O LYS A 44 2.712 7.149 -6.868 1.00 0.00 O ATOM 682 CB LYS A 44 0.729 8.446 -8.946 1.00 0.00 C ATOM 683 CG LYS A 44 0.540 6.921 -9.046 1.00 0.00 C ATOM 684 CD LYS A 44 -0.787 6.517 -9.716 1.00 0.00 C ATOM 685 CE LYS A 44 -2.058 6.953 -8.963 1.00 0.00 C ATOM 686 NZ LYS A 44 -2.175 6.335 -7.628 1.00 0.00 N ATOM 0 H LYS A 44 3.624 7.627 -9.088 1.00 0.00 H new ATOM 0 HA LYS A 44 2.078 9.975 -8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.045 8.853 -8.296 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.579 8.883 -9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.369 6.495 -9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.581 6.490 -8.046 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.814 6.942 -10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.804 5.433 -9.829 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.057 8.038 -8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.934 6.692 -9.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.080 6.611 -7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.136 5.300 -7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.391 6.659 -7.026 1.00 0.00 H new ATOM 700 N ASP A 45 2.260 9.181 -5.979 1.00 0.00 N ATOM 701 CA ASP A 45 2.293 8.803 -4.570 1.00 0.00 C ATOM 702 C ASP A 45 0.859 8.534 -4.087 1.00 0.00 C ATOM 703 O ASP A 45 -0.015 9.390 -4.234 1.00 0.00 O ATOM 704 CB ASP A 45 2.972 9.912 -3.748 1.00 0.00 C ATOM 705 CG ASP A 45 2.998 9.595 -2.249 1.00 0.00 C ATOM 706 OD1 ASP A 45 3.627 8.577 -1.891 1.00 0.00 O ATOM 707 OD2 ASP A 45 2.371 10.364 -1.486 1.00 0.00 O ATOM 0 H ASP A 45 2.120 10.182 -6.116 1.00 0.00 H new ATOM 0 HA ASP A 45 2.876 7.891 -4.437 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.992 10.052 -4.105 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.446 10.853 -3.909 1.00 0.00 H new ATOM 712 N GLY A 46 0.619 7.348 -3.511 1.00 0.00 N ATOM 713 CA GLY A 46 -0.676 6.953 -2.961 1.00 0.00 C ATOM 714 C GLY A 46 -0.566 5.983 -1.780 1.00 0.00 C ATOM 715 O GLY A 46 0.527 5.578 -1.382 1.00 0.00 O ATOM 0 H GLY A 46 1.334 6.627 -3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.213 7.845 -2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.270 6.489 -3.748 1.00 0.00 H new ATOM 719 N PHE A 47 -1.727 5.605 -1.226 1.00 0.00 N ATOM 720 CA PHE A 47 -1.850 4.822 0.001 1.00 0.00 C ATOM 721 C PHE A 47 -1.859 3.314 -0.298 1.00 0.00 C ATOM 722 O PHE A 47 -2.563 2.860 -1.201 1.00 0.00 O ATOM 723 CB PHE A 47 -3.119 5.238 0.766 1.00 0.00 C ATOM 724 CG PHE A 47 -3.073 6.624 1.387 1.00 0.00 C ATOM 725 CD1 PHE A 47 -2.239 6.863 2.504 1.00 0.00 C ATOM 726 CD2 PHE A 47 -3.943 7.641 0.934 1.00 0.00 C ATOM 727 CE1 PHE A 47 -2.293 8.101 3.177 1.00 0.00 C ATOM 728 CE2 PHE A 47 -4.003 8.876 1.613 1.00 0.00 C ATOM 729 CZ PHE A 47 -3.189 9.101 2.743 1.00 0.00 C ATOM 0 H PHE A 47 -2.630 5.845 -1.635 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.981 5.025 0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.968 5.191 0.084 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.304 4.509 1.555 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.559 6.095 2.842 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.563 7.472 0.066 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.649 8.284 4.024 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.673 9.650 1.268 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.252 10.038 3.276 1.00 0.00 H new ATOM 739 N ILE A 48 -1.089 2.544 0.489 1.00 0.00 N ATOM 740 CA ILE A 48 -0.943 1.089 0.394 1.00 0.00 C ATOM 741 C ILE A 48 -1.466 0.435 1.685 1.00 0.00 C ATOM 742 O ILE A 48 -1.014 0.825 2.763 1.00 0.00 O ATOM 743 CB ILE A 48 0.535 0.713 0.111 1.00 0.00 C ATOM 744 CG1 ILE A 48 1.477 0.891 1.321 1.00 0.00 C ATOM 745 CG2 ILE A 48 1.040 1.502 -1.106 1.00 0.00 C ATOM 746 CD1 ILE A 48 2.967 0.865 0.960 1.00 0.00 C ATOM 0 H ILE A 48 -0.527 2.941 1.242 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.536 0.713 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 48 0.552 -0.356 -0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.249 1.838 1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.275 0.101 2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.079 1.238 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.430 1.258 -1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.970 2.570 -0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.563 0.996 1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.213 -0.092 0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.186 1.672 0.261 1.00 0.00 H new ATOM 758 N PRO A 49 -2.388 -0.550 1.628 1.00 0.00 N ATOM 759 CA PRO A 49 -2.810 -1.305 2.806 1.00 0.00 C ATOM 760 C PRO A 49 -1.611 -2.009 3.460 1.00 0.00 C ATOM 761 O PRO A 49 -0.882 -2.731 2.778 1.00 0.00 O ATOM 762 CB PRO A 49 -3.843 -2.331 2.317 1.00 0.00 C ATOM 763 CG PRO A 49 -4.320 -1.776 0.980 1.00 0.00 C ATOM 764 CD PRO A 49 -3.102 -1.019 0.449 1.00 0.00 C ATOM 0 HA PRO A 49 -3.239 -0.646 3.561 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.398 -3.319 2.202 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.668 -2.433 3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.624 -2.573 0.301 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.179 -1.117 1.103 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.471 -1.668 -0.159 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.404 -0.185 -0.184 1.00 0.00 H new ATOM 772 N LYS A 50 -1.421 -1.815 4.773 1.00 0.00 N ATOM 773 CA LYS A 50 -0.355 -2.452 5.555 1.00 0.00 C ATOM 774 C LYS A 50 -0.319 -3.986 5.369 1.00 0.00 C ATOM 775 O LYS A 50 0.757 -4.580 5.333 1.00 0.00 O ATOM 776 CB LYS A 50 -0.519 -2.052 7.034 1.00 0.00 C ATOM 777 CG LYS A 50 0.725 -2.365 7.882 1.00 0.00 C ATOM 778 CD LYS A 50 0.521 -2.065 9.378 1.00 0.00 C ATOM 779 CE LYS A 50 0.034 -0.631 9.643 1.00 0.00 C ATOM 780 NZ LYS A 50 0.057 -0.297 11.079 1.00 0.00 N ATOM 0 H LYS A 50 -2.015 -1.200 5.330 1.00 0.00 H new ATOM 0 HA LYS A 50 0.609 -2.096 5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.734 -0.985 7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.379 -2.575 7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.987 -3.416 7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.568 -1.781 7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.202 -2.770 9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.460 -2.227 9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.663 0.072 9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.980 -0.516 9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.181 0.708 11.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.638 -0.884 11.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.006 -0.479 11.463 1.00 0.00 H new ATOM 794 N ASN A 51 -1.498 -4.614 5.229 1.00 0.00 N ATOM 795 CA ASN A 51 -1.688 -6.052 5.034 1.00 0.00 C ATOM 796 C ASN A 51 -1.249 -6.537 3.637 1.00 0.00 C ATOM 797 O ASN A 51 -0.629 -7.594 3.526 1.00 0.00 O ATOM 798 CB ASN A 51 -3.167 -6.408 5.293 1.00 0.00 C ATOM 799 CG ASN A 51 -3.658 -6.053 6.702 1.00 0.00 C ATOM 800 OD1 ASN A 51 -2.871 -5.845 7.622 1.00 0.00 O ATOM 801 ND2 ASN A 51 -4.976 -5.976 6.885 1.00 0.00 N ATOM 0 H ASN A 51 -2.382 -4.106 5.250 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.046 -6.568 5.748 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.788 -5.890 4.562 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.307 -7.477 5.130 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.350 -5.740 7.804 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.610 -6.153 6.106 1.00 0.00 H new ATOM 808 N TYR A 52 -1.591 -5.794 2.569 1.00 0.00 N ATOM 809 CA TYR A 52 -1.357 -6.189 1.173 1.00 0.00 C ATOM 810 C TYR A 52 0.122 -6.111 0.743 1.00 0.00 C ATOM 811 O TYR A 52 0.473 -6.701 -0.279 1.00 0.00 O ATOM 812 CB TYR A 52 -2.264 -5.384 0.215 1.00 0.00 C ATOM 813 CG TYR A 52 -3.712 -5.861 0.123 1.00 0.00 C ATOM 814 CD1 TYR A 52 -4.528 -5.923 1.277 1.00 0.00 C ATOM 815 CD2 TYR A 52 -4.234 -6.306 -1.115 1.00 0.00 C ATOM 816 CE1 TYR A 52 -5.826 -6.468 1.202 1.00 0.00 C ATOM 817 CE2 TYR A 52 -5.552 -6.800 -1.200 1.00 0.00 C ATOM 818 CZ TYR A 52 -6.340 -6.907 -0.037 1.00 0.00 C ATOM 819 OH TYR A 52 -7.592 -7.441 -0.115 1.00 0.00 O ATOM 0 H TYR A 52 -2.046 -4.885 2.656 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.624 -7.244 1.109 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.263 -4.341 0.532 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.826 -5.414 -0.783 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.155 -5.551 2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.618 -6.267 -2.001 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.428 -6.550 2.095 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.957 -7.096 -2.156 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.805 -7.900 0.724 1.00 0.00 H new ATOM 829 N ILE A 53 0.989 -5.417 1.499 1.00 0.00 N ATOM 830 CA ILE A 53 2.441 -5.439 1.303 1.00 0.00 C ATOM 831 C ILE A 53 3.128 -6.506 2.173 1.00 0.00 C ATOM 832 O ILE A 53 2.573 -7.020 3.144 1.00 0.00 O ATOM 833 CB ILE A 53 3.069 -4.046 1.523 1.00 0.00 C ATOM 834 CG1 ILE A 53 2.758 -3.479 2.922 1.00 0.00 C ATOM 835 CG2 ILE A 53 2.660 -3.099 0.384 1.00 0.00 C ATOM 836 CD1 ILE A 53 3.630 -2.275 3.294 1.00 0.00 C ATOM 0 H ILE A 53 0.694 -4.819 2.271 1.00 0.00 H new ATOM 0 HA ILE A 53 2.611 -5.716 0.263 1.00 0.00 H new ATOM 0 HB ILE A 53 4.154 -4.147 1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.709 -3.186 2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.899 -4.264 3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.108 -2.119 0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.007 -3.502 -0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.574 -3.003 0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.360 -1.924 4.290 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.680 -2.569 3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.471 -1.474 2.572 1.00 0.00 H new ATOM 848 N GLU A 54 4.371 -6.809 1.789 1.00 0.00 N ATOM 849 CA GLU A 54 5.300 -7.746 2.410 1.00 0.00 C ATOM 850 C GLU A 54 6.062 -7.102 3.582 1.00 0.00 C ATOM 851 O GLU A 54 6.450 -7.798 4.518 1.00 0.00 O ATOM 852 CB GLU A 54 6.248 -8.232 1.298 1.00 0.00 C ATOM 853 CG GLU A 54 7.109 -9.454 1.644 1.00 0.00 C ATOM 854 CD GLU A 54 6.264 -10.708 1.883 1.00 0.00 C ATOM 855 OE1 GLU A 54 5.828 -11.303 0.873 1.00 0.00 O ATOM 856 OE2 GLU A 54 6.055 -11.047 3.068 1.00 0.00 O ATOM 0 H GLU A 54 4.784 -6.367 0.968 1.00 0.00 H new ATOM 0 HA GLU A 54 4.764 -8.589 2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.653 -8.468 0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.910 -7.410 1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.813 -9.642 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.699 -9.240 2.535 1.00 0.00 H new ATOM 863 N MET A 55 6.278 -5.775 3.521 1.00 0.00 N ATOM 864 CA MET A 55 7.001 -4.974 4.510 1.00 0.00 C ATOM 865 C MET A 55 8.451 -5.469 4.631 1.00 0.00 C ATOM 866 O MET A 55 8.903 -5.900 5.691 1.00 0.00 O ATOM 867 CB MET A 55 6.215 -4.941 5.832 1.00 0.00 C ATOM 868 CG MET A 55 6.668 -3.808 6.765 1.00 0.00 C ATOM 869 SD MET A 55 5.840 -3.739 8.380 1.00 0.00 S ATOM 870 CE MET A 55 4.100 -3.718 7.874 1.00 0.00 C ATOM 0 H MET A 55 5.935 -5.212 2.743 1.00 0.00 H new ATOM 0 HA MET A 55 7.076 -3.935 4.189 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.153 -4.825 5.615 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.333 -5.896 6.344 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.741 -3.906 6.931 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.510 -2.857 6.255 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.477 -3.446 8.726 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.962 -2.989 7.076 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.813 -4.707 7.515 1.00 0.00 H new ATOM 937 N PRO B 3 -7.618 -11.514 2.614 1.00 0.00 N ATOM 938 CA PRO B 3 -6.919 -10.499 3.398 1.00 0.00 C ATOM 939 C PRO B 3 -7.736 -9.190 3.427 1.00 0.00 C ATOM 940 O PRO B 3 -8.081 -8.673 2.364 1.00 0.00 O ATOM 941 CB PRO B 3 -5.558 -10.318 2.712 1.00 0.00 C ATOM 942 CG PRO B 3 -5.841 -10.693 1.257 1.00 0.00 C ATOM 943 CD PRO B 3 -6.898 -11.791 1.380 1.00 0.00 C ATOM 0 HA PRO B 3 -6.788 -10.792 4.440 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -5.197 -9.293 2.800 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -4.797 -10.963 3.152 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.210 -9.841 0.686 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -4.944 -11.052 0.752 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -7.572 -11.782 0.524 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.435 -12.777 1.411 1.00 0.00 H new ATOM 951 N PRO B 4 -8.073 -8.648 4.614 1.00 0.00 N ATOM 952 CA PRO B 4 -8.912 -7.460 4.743 1.00 0.00 C ATOM 953 C PRO B 4 -8.123 -6.177 4.426 1.00 0.00 C ATOM 954 O PRO B 4 -6.932 -6.083 4.720 1.00 0.00 O ATOM 955 CB PRO B 4 -9.404 -7.477 6.195 1.00 0.00 C ATOM 956 CG PRO B 4 -8.242 -8.135 6.940 1.00 0.00 C ATOM 957 CD PRO B 4 -7.729 -9.167 5.932 1.00 0.00 C ATOM 0 HA PRO B 4 -9.742 -7.470 4.036 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -9.604 -6.472 6.566 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -10.327 -8.046 6.302 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -7.471 -7.412 7.205 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -8.571 -8.605 7.867 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -6.652 -9.304 6.028 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -8.191 -10.140 6.101 1.00 0.00 H new ATOM 965 N VAL B 5 -8.810 -5.185 3.842 1.00 0.00 N ATOM 966 CA VAL B 5 -8.305 -3.836 3.588 1.00 0.00 C ATOM 967 C VAL B 5 -8.714 -2.946 4.782 1.00 0.00 C ATOM 968 O VAL B 5 -9.912 -2.728 4.969 1.00 0.00 O ATOM 969 CB VAL B 5 -8.889 -3.313 2.253 1.00 0.00 C ATOM 970 CG1 VAL B 5 -8.491 -1.850 2.002 1.00 0.00 C ATOM 971 CG2 VAL B 5 -8.410 -4.157 1.060 1.00 0.00 C ATOM 0 H VAL B 5 -9.771 -5.310 3.522 1.00 0.00 H new ATOM 0 HA VAL B 5 -7.219 -3.827 3.495 1.00 0.00 H new ATOM 0 HB VAL B 5 -9.973 -3.388 2.341 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -8.917 -1.514 1.057 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -8.868 -1.226 2.812 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -7.405 -1.771 1.959 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.839 -3.762 0.139 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.322 -4.117 1.000 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -8.729 -5.191 1.194 1.00 0.00 H new ATOM 981 N PRO B 6 -7.768 -2.419 5.589 1.00 0.00 N ATOM 982 CA PRO B 6 -8.069 -1.544 6.727 1.00 0.00 C ATOM 983 C PRO B 6 -8.798 -0.241 6.331 1.00 0.00 C ATOM 984 O PRO B 6 -8.746 0.151 5.165 1.00 0.00 O ATOM 985 CB PRO B 6 -6.711 -1.226 7.368 1.00 0.00 C ATOM 986 CG PRO B 6 -5.833 -2.406 6.964 1.00 0.00 C ATOM 987 CD PRO B 6 -6.340 -2.703 5.555 1.00 0.00 C ATOM 0 HA PRO B 6 -8.754 -2.048 7.409 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -6.307 -0.282 7.001 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -6.791 -1.139 8.452 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -4.774 -2.149 6.972 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -5.960 -3.258 7.632 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -5.834 -2.082 4.816 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -6.152 -3.741 5.281 1.00 0.00 H new ATOM 995 N PRO B 7 -9.433 0.471 7.285 1.00 0.00 N ATOM 996 CA PRO B 7 -10.024 1.793 7.063 1.00 0.00 C ATOM 997 C PRO B 7 -9.031 2.782 6.429 1.00 0.00 C ATOM 998 O PRO B 7 -7.894 2.884 6.891 1.00 0.00 O ATOM 999 CB PRO B 7 -10.487 2.277 8.443 1.00 0.00 C ATOM 1000 CG PRO B 7 -10.738 0.977 9.205 1.00 0.00 C ATOM 1001 CD PRO B 7 -9.640 0.058 8.667 1.00 0.00 C ATOM 0 HA PRO B 7 -10.851 1.731 6.356 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -9.728 2.889 8.930 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -11.390 2.884 8.374 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -10.657 1.117 10.283 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -11.733 0.578 9.009 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -8.724 0.158 9.249 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -9.940 -0.988 8.724 1.00 0.00 H new ATOM 1009 N ARG B 8 -9.454 3.491 5.370 1.00 0.00 N ATOM 1010 CA ARG B 8 -8.630 4.415 4.582 1.00 0.00 C ATOM 1011 C ARG B 8 -7.895 5.430 5.470 1.00 0.00 C ATOM 1012 O ARG B 8 -6.667 5.424 5.541 1.00 0.00 O ATOM 1013 CB ARG B 8 -9.484 5.116 3.506 1.00 0.00 C ATOM 1014 CG ARG B 8 -9.997 4.142 2.430 1.00 0.00 C ATOM 1015 CD ARG B 8 -10.901 4.851 1.410 1.00 0.00 C ATOM 1016 NE ARG B 8 -10.158 5.851 0.623 1.00 0.00 N ATOM 1017 CZ ARG B 8 -10.679 6.834 -0.129 1.00 0.00 C ATOM 1018 NH1 ARG B 8 -12.002 6.999 -0.242 1.00 0.00 N ATOM 1019 NH2 ARG B 8 -9.867 7.668 -0.782 1.00 0.00 N ATOM 0 H ARG B 8 -10.413 3.433 5.029 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.862 3.829 4.078 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -10.333 5.605 3.983 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -8.892 5.898 3.030 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -9.150 3.690 1.914 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -10.550 3.332 2.906 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -11.340 4.113 0.739 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -11.725 5.338 1.931 1.00 0.00 H new ATOM 0 HE ARG B 8 -9.140 5.790 0.653 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -12.638 6.371 0.249 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -12.374 7.753 -0.819 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -8.856 7.557 -0.709 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -10.258 8.416 -1.355 1.00 0.00 H new ATOM 1033 N ARG B 9 -8.668 6.280 6.157 1.00 0.00 N ATOM 1034 CA ARG B 9 -8.197 7.276 7.117 1.00 0.00 C ATOM 1035 C ARG B 9 -9.109 7.207 8.353 1.00 0.00 C ATOM 1036 O ARG B 9 -10.117 7.911 8.418 1.00 0.00 O ATOM 1037 CB ARG B 9 -8.159 8.670 6.449 1.00 0.00 C ATOM 1038 CG ARG B 9 -7.190 9.672 7.108 1.00 0.00 C ATOM 1039 CD ARG B 9 -7.368 9.895 8.617 1.00 0.00 C ATOM 1040 NE ARG B 9 -8.726 10.356 8.951 1.00 0.00 N ATOM 1041 CZ ARG B 9 -9.175 10.669 10.177 1.00 0.00 C ATOM 1042 NH1 ARG B 9 -8.360 10.675 11.237 1.00 0.00 N ATOM 1043 NH2 ARG B 9 -10.464 10.976 10.346 1.00 0.00 N ATOM 0 H ARG B 9 -9.682 6.290 6.052 1.00 0.00 H new ATOM 0 HA ARG B 9 -7.177 7.075 7.444 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.879 8.549 5.402 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -9.164 9.093 6.464 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -6.170 9.330 6.930 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -7.296 10.633 6.605 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.160 8.966 9.148 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -6.641 10.629 8.963 1.00 0.00 H new ATOM 0 HE ARG B 9 -9.387 10.446 8.179 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -7.374 10.438 11.124 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -8.724 10.916 12.159 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -11.098 10.971 9.547 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -10.814 11.215 11.274 1.00 0.00 H new ATOM 1057 N ARG B 10 -8.752 6.335 9.310 1.00 0.00 N ATOM 1058 CA ARG B 10 -9.492 6.019 10.537 1.00 0.00 C ATOM 1059 C ARG B 10 -10.760 5.190 10.263 1.00 0.00 C ATOM 1060 O ARG B 10 -11.504 5.531 9.318 1.00 0.00 O ATOM 1061 CB ARG B 10 -9.758 7.283 11.387 1.00 0.00 C ATOM 1062 CG ARG B 10 -10.376 6.965 12.762 1.00 0.00 C ATOM 1063 CD ARG B 10 -11.915 6.997 12.742 1.00 0.00 C ATOM 1064 NE ARG B 10 -12.487 6.491 14.001 1.00 0.00 N ATOM 1065 CZ ARG B 10 -12.649 5.199 14.337 1.00 0.00 C ATOM 1066 NH1 ARG B 10 -12.272 4.204 13.525 1.00 0.00 N ATOM 1067 NH2 ARG B 10 -13.202 4.893 15.515 1.00 0.00 N ATOM 1068 OXT ARG B 10 -10.984 4.231 11.036 1.00 0.00 O ATOM 0 H ARG B 10 -7.886 5.801 9.241 1.00 0.00 H new ATOM 0 HA ARG B 10 -8.853 5.376 11.141 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -8.821 7.821 11.532 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -10.426 7.948 10.840 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -10.041 5.980 13.088 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -10.011 7.684 13.495 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -12.255 8.018 12.572 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -12.281 6.397 11.909 1.00 0.00 H new ATOM 0 HE ARG B 10 -12.789 7.187 14.683 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -11.848 4.416 12.622 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -12.409 3.234 13.809 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -13.496 5.636 16.149 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -13.330 3.916 15.780 1.00 0.00 H new