USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 401 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 32 THR OG1 : rot -79:sc= 1.13 USER MOD Set 1.2: A 33 SER OG : rot 86:sc= 1.01 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0556 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 172:sc=-0.000386 (180deg=-0.0839) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 81:sc= 0.786 USER MOD Single : A 23 THR OG1 : rot -89:sc= 2.31 USER MOD Single : A 25 LYS NZ :NH3+ -128:sc= -0.0136 (180deg=-0.793) USER MOD Single : A 30 THR OG1 : rot -72:sc= 1.09 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0.372 (180deg=0.372) USER MOD Single : A 36 SER OG : rot 72:sc= 1.24 USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0912) USER MOD Single : A 40 THR OG1 : rot 76:sc= 1.26 USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0148) USER MOD Single : A 44 ASN : amide:sc= 0.763 K(o=0.76,f=-0.3) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 0.0615 (180deg=-0.00533) USER MOD Single : A 46 MET CE :methyl 164:sc= 0 (180deg=-0.104) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -15.482 8.332 10.577 1.00 0.00 N ATOM 19 CA ALA A 2 -14.601 7.181 10.409 1.00 0.00 C ATOM 20 C ALA A 2 -15.175 6.167 9.415 1.00 0.00 C ATOM 21 O ALA A 2 -14.483 5.731 8.499 1.00 0.00 O ATOM 22 CB ALA A 2 -14.333 6.534 11.769 1.00 0.00 C ATOM 0 HA ALA A 2 -13.656 7.529 9.991 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.675 5.675 11.640 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.858 7.259 12.430 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.275 6.206 12.208 1.00 0.00 H new ATOM 28 N SER A 3 -16.453 5.817 9.568 1.00 0.00 N ATOM 29 CA SER A 3 -17.151 4.924 8.656 1.00 0.00 C ATOM 30 C SER A 3 -17.120 5.447 7.215 1.00 0.00 C ATOM 31 O SER A 3 -16.914 4.682 6.276 1.00 0.00 O ATOM 32 CB SER A 3 -18.589 4.762 9.156 1.00 0.00 C ATOM 33 OG SER A 3 -18.577 4.624 10.566 1.00 0.00 O ATOM 0 H SER A 3 -17.034 6.151 10.337 1.00 0.00 H new ATOM 0 HA SER A 3 -16.650 3.956 8.640 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.187 5.627 8.868 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.051 3.888 8.697 1.00 0.00 H new ATOM 0 HG SER A 3 -19.495 4.522 10.892 1.00 0.00 H new ATOM 39 N VAL A 4 -17.324 6.754 7.032 1.00 0.00 N ATOM 40 CA VAL A 4 -17.309 7.366 5.711 1.00 0.00 C ATOM 41 C VAL A 4 -15.901 7.231 5.131 1.00 0.00 C ATOM 42 O VAL A 4 -15.738 6.752 4.011 1.00 0.00 O ATOM 43 CB VAL A 4 -17.768 8.834 5.784 1.00 0.00 C ATOM 44 CG1 VAL A 4 -17.836 9.448 4.382 1.00 0.00 C ATOM 45 CG2 VAL A 4 -19.147 8.958 6.447 1.00 0.00 C ATOM 0 H VAL A 4 -17.503 7.410 7.793 1.00 0.00 H new ATOM 0 HA VAL A 4 -18.011 6.856 5.051 1.00 0.00 H new ATOM 0 HB VAL A 4 -17.035 9.370 6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -18.162 10.485 4.455 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -16.850 9.409 3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -18.545 8.887 3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -19.441 10.007 6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -19.880 8.395 5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -19.100 8.560 7.461 1.00 0.00 H new ATOM 55 N LEU A 5 -14.885 7.629 5.904 1.00 0.00 N ATOM 56 CA LEU A 5 -13.493 7.500 5.494 1.00 0.00 C ATOM 57 C LEU A 5 -13.190 6.054 5.089 1.00 0.00 C ATOM 58 O LEU A 5 -12.617 5.817 4.028 1.00 0.00 O ATOM 59 CB LEU A 5 -12.544 7.969 6.608 1.00 0.00 C ATOM 60 CG LEU A 5 -12.731 9.437 7.029 1.00 0.00 C ATOM 61 CD1 LEU A 5 -11.765 9.758 8.173 1.00 0.00 C ATOM 62 CD2 LEU A 5 -12.480 10.410 5.872 1.00 0.00 C ATOM 0 H LEU A 5 -15.009 8.047 6.826 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.329 8.142 4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.687 7.333 7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.516 7.828 6.275 1.00 0.00 H new ATOM 0 HG LEU A 5 -13.766 9.561 7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.893 10.797 8.476 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.974 9.105 9.020 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.740 9.601 7.838 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.624 11.433 6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.459 10.290 5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.178 10.200 5.062 1.00 0.00 H new ATOM 74 N GLU A 6 -13.601 5.091 5.920 1.00 0.00 N ATOM 75 CA GLU A 6 -13.444 3.671 5.646 1.00 0.00 C ATOM 76 C GLU A 6 -14.071 3.313 4.296 1.00 0.00 C ATOM 77 O GLU A 6 -13.401 2.736 3.442 1.00 0.00 O ATOM 78 CB GLU A 6 -14.041 2.852 6.800 1.00 0.00 C ATOM 79 CG GLU A 6 -13.800 1.346 6.627 1.00 0.00 C ATOM 80 CD GLU A 6 -14.348 0.552 7.809 1.00 0.00 C ATOM 81 OE1 GLU A 6 -15.547 0.738 8.113 1.00 0.00 O ATOM 82 OE2 GLU A 6 -13.559 -0.222 8.392 1.00 0.00 O ATOM 0 H GLU A 6 -14.057 5.285 6.811 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.384 3.426 5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.604 3.182 7.742 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.113 3.042 6.862 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.274 1.004 5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.731 1.157 6.525 1.00 0.00 H new ATOM 89 N GLU A 7 -15.348 3.649 4.088 1.00 0.00 N ATOM 90 CA GLU A 7 -16.026 3.341 2.834 1.00 0.00 C ATOM 91 C GLU A 7 -15.310 3.975 1.637 1.00 0.00 C ATOM 92 O GLU A 7 -15.074 3.307 0.632 1.00 0.00 O ATOM 93 CB GLU A 7 -17.500 3.768 2.906 1.00 0.00 C ATOM 94 CG GLU A 7 -18.308 2.872 3.857 1.00 0.00 C ATOM 95 CD GLU A 7 -18.424 1.443 3.338 1.00 0.00 C ATOM 96 OE1 GLU A 7 -19.204 1.252 2.380 1.00 0.00 O ATOM 97 OE2 GLU A 7 -17.723 0.571 3.895 1.00 0.00 O ATOM 0 H GLU A 7 -15.928 4.133 4.773 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.993 2.262 2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.562 4.803 3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.939 3.729 1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.833 2.864 4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.305 3.291 3.990 1.00 0.00 H new ATOM 104 N LEU A 8 -14.949 5.257 1.726 1.00 0.00 N ATOM 105 CA LEU A 8 -14.225 5.916 0.647 1.00 0.00 C ATOM 106 C LEU A 8 -12.895 5.203 0.377 1.00 0.00 C ATOM 107 O LEU A 8 -12.569 4.921 -0.775 1.00 0.00 O ATOM 108 CB LEU A 8 -14.037 7.409 0.955 1.00 0.00 C ATOM 109 CG LEU A 8 -15.365 8.189 0.998 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.098 9.601 1.526 1.00 0.00 C ATOM 111 CD2 LEU A 8 -16.029 8.305 -0.381 1.00 0.00 C ATOM 0 H LEU A 8 -15.146 5.853 2.530 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.814 5.851 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.529 7.515 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -13.387 7.851 0.199 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.042 7.638 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -16.033 10.160 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.675 9.541 2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.395 10.109 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.960 8.864 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.359 8.825 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -16.240 7.308 -0.768 1.00 0.00 H new ATOM 123 N GLN A 9 -12.134 4.873 1.426 1.00 0.00 N ATOM 124 CA GLN A 9 -10.894 4.118 1.292 1.00 0.00 C ATOM 125 C GLN A 9 -11.148 2.768 0.611 1.00 0.00 C ATOM 126 O GLN A 9 -10.413 2.381 -0.295 1.00 0.00 O ATOM 127 CB GLN A 9 -10.225 3.961 2.664 1.00 0.00 C ATOM 128 CG GLN A 9 -8.876 3.239 2.550 1.00 0.00 C ATOM 129 CD GLN A 9 -8.137 3.240 3.882 1.00 0.00 C ATOM 130 OE1 GLN A 9 -8.233 2.293 4.654 1.00 0.00 O ATOM 131 NE2 GLN A 9 -7.390 4.305 4.167 1.00 0.00 N ATOM 0 H GLN A 9 -12.364 5.123 2.388 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.207 4.669 0.650 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.077 4.943 3.113 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.883 3.403 3.330 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.037 2.212 2.221 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.263 3.725 1.791 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.330 5.078 3.504 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.878 4.348 5.048 1.00 0.00 H new ATOM 140 N LYS A 10 -12.195 2.050 1.020 1.00 0.00 N ATOM 141 CA LYS A 10 -12.580 0.812 0.361 1.00 0.00 C ATOM 142 C LYS A 10 -12.813 1.077 -1.127 1.00 0.00 C ATOM 143 O LYS A 10 -12.284 0.358 -1.968 1.00 0.00 O ATOM 144 CB LYS A 10 -13.825 0.211 1.017 1.00 0.00 C ATOM 145 CG LYS A 10 -14.077 -1.211 0.496 1.00 0.00 C ATOM 146 CD LYS A 10 -15.552 -1.560 0.699 1.00 0.00 C ATOM 147 CE LYS A 10 -15.886 -2.964 0.182 1.00 0.00 C ATOM 148 NZ LYS A 10 -15.161 -4.013 0.921 1.00 0.00 N ATOM 0 H LYS A 10 -12.790 2.310 1.807 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.774 0.086 0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.698 0.190 2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.691 0.839 0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.816 -1.277 -0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.445 -1.924 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.797 -1.496 1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.172 -0.827 0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -16.959 -3.136 0.268 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.637 -3.029 -0.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.515 -4.948 0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.145 -3.947 0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.311 -3.885 1.942 1.00 0.00 H new ATOM 162 N ASP A 11 -13.575 2.115 -1.473 1.00 0.00 N ATOM 163 CA ASP A 11 -13.812 2.441 -2.874 1.00 0.00 C ATOM 164 C ASP A 11 -12.494 2.755 -3.600 1.00 0.00 C ATOM 165 O ASP A 11 -12.307 2.369 -4.751 1.00 0.00 O ATOM 166 CB ASP A 11 -14.839 3.567 -3.000 1.00 0.00 C ATOM 167 CG ASP A 11 -15.412 3.608 -4.413 1.00 0.00 C ATOM 168 OD1 ASP A 11 -16.231 2.715 -4.717 1.00 0.00 O ATOM 169 OD2 ASP A 11 -15.030 4.532 -5.159 1.00 0.00 O ATOM 0 H ASP A 11 -14.033 2.737 -0.808 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.236 1.568 -3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.643 3.417 -2.279 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.372 4.523 -2.762 1.00 0.00 H new ATOM 174 N LEU A 12 -11.553 3.407 -2.910 1.00 0.00 N ATOM 175 CA LEU A 12 -10.187 3.613 -3.378 1.00 0.00 C ATOM 176 C LEU A 12 -9.549 2.253 -3.710 1.00 0.00 C ATOM 177 O LEU A 12 -8.960 2.067 -4.777 1.00 0.00 O ATOM 178 CB LEU A 12 -9.383 4.403 -2.330 1.00 0.00 C ATOM 179 CG LEU A 12 -8.406 5.422 -2.934 1.00 0.00 C ATOM 180 CD1 LEU A 12 -7.753 6.220 -1.800 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.314 4.747 -3.767 1.00 0.00 C ATOM 0 H LEU A 12 -11.728 3.813 -1.991 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.188 4.208 -4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.077 4.926 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.824 3.701 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.971 6.078 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.057 6.946 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.523 6.742 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.214 5.540 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.646 5.506 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.745 4.064 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.772 4.190 -4.584 1.00 0.00 H new ATOM 193 N GLU A 13 -9.694 1.278 -2.806 1.00 0.00 N ATOM 194 CA GLU A 13 -9.212 -0.072 -3.055 1.00 0.00 C ATOM 195 C GLU A 13 -9.900 -0.647 -4.298 1.00 0.00 C ATOM 196 O GLU A 13 -9.232 -1.210 -5.162 1.00 0.00 O ATOM 197 CB GLU A 13 -9.407 -0.951 -1.810 1.00 0.00 C ATOM 198 CG GLU A 13 -8.659 -2.284 -1.925 1.00 0.00 C ATOM 199 CD GLU A 13 -8.878 -3.140 -0.681 1.00 0.00 C ATOM 200 OE1 GLU A 13 -10.030 -3.595 -0.504 1.00 0.00 O ATOM 201 OE2 GLU A 13 -7.897 -3.311 0.075 1.00 0.00 O ATOM 0 H GLU A 13 -10.142 1.405 -1.898 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.141 -0.049 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.057 -0.414 -0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.470 -1.143 -1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.003 -2.823 -2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.594 -2.097 -2.060 1.00 0.00 H new ATOM 208 N GLU A 14 -11.222 -0.496 -4.409 1.00 0.00 N ATOM 209 CA GLU A 14 -11.977 -0.977 -5.559 1.00 0.00 C ATOM 210 C GLU A 14 -11.428 -0.396 -6.867 1.00 0.00 C ATOM 211 O GLU A 14 -11.117 -1.167 -7.773 1.00 0.00 O ATOM 212 CB GLU A 14 -13.481 -0.717 -5.390 1.00 0.00 C ATOM 213 CG GLU A 14 -14.062 -1.544 -4.234 1.00 0.00 C ATOM 214 CD GLU A 14 -15.516 -1.179 -3.944 1.00 0.00 C ATOM 215 OE1 GLU A 14 -16.334 -1.330 -4.876 1.00 0.00 O ATOM 216 OE2 GLU A 14 -15.781 -0.771 -2.792 1.00 0.00 O ATOM 0 H GLU A 14 -11.795 -0.036 -3.702 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.850 -2.058 -5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.650 0.343 -5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.002 -0.965 -6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.996 -2.604 -4.478 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.463 -1.385 -3.338 1.00 0.00 H new ATOM 223 N VAL A 15 -11.277 0.932 -6.982 1.00 0.00 N ATOM 224 CA VAL A 15 -10.710 1.504 -8.204 1.00 0.00 C ATOM 225 C VAL A 15 -9.323 0.920 -8.482 1.00 0.00 C ATOM 226 O VAL A 15 -9.066 0.514 -9.612 1.00 0.00 O ATOM 227 CB VAL A 15 -10.736 3.048 -8.250 1.00 0.00 C ATOM 228 CG1 VAL A 15 -9.970 3.729 -7.123 1.00 0.00 C ATOM 229 CG2 VAL A 15 -10.209 3.577 -9.590 1.00 0.00 C ATOM 0 H VAL A 15 -11.532 1.610 -6.264 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.368 1.207 -9.021 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.789 3.301 -8.123 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.043 4.811 -7.236 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.396 3.435 -6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.923 3.430 -7.162 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.241 4.667 -9.589 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.181 3.244 -9.734 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.830 3.197 -10.401 1.00 0.00 H new ATOM 239 N LYS A 16 -8.443 0.841 -7.474 1.00 0.00 N ATOM 240 CA LYS A 16 -7.130 0.235 -7.689 1.00 0.00 C ATOM 241 C LYS A 16 -7.261 -1.188 -8.248 1.00 0.00 C ATOM 242 O LYS A 16 -6.746 -1.489 -9.324 1.00 0.00 O ATOM 243 CB LYS A 16 -6.300 0.246 -6.400 1.00 0.00 C ATOM 244 CG LYS A 16 -5.767 1.649 -6.096 1.00 0.00 C ATOM 245 CD LYS A 16 -4.894 1.612 -4.837 1.00 0.00 C ATOM 246 CE LYS A 16 -4.156 2.943 -4.664 1.00 0.00 C ATOM 247 NZ LYS A 16 -3.357 2.959 -3.427 1.00 0.00 N ATOM 0 H LYS A 16 -8.613 1.180 -6.527 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.604 0.836 -8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.912 -0.102 -5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.466 -0.450 -6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.186 2.018 -6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.598 2.340 -5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.514 1.415 -3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.175 0.796 -4.908 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.505 3.114 -5.521 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.877 3.760 -4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.870 3.874 -3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.983 2.820 -2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.653 2.194 -3.458 1.00 0.00 H new ATOM 261 N VAL A 17 -7.965 -2.058 -7.524 1.00 0.00 N ATOM 262 CA VAL A 17 -8.166 -3.451 -7.899 1.00 0.00 C ATOM 263 C VAL A 17 -8.711 -3.553 -9.328 1.00 0.00 C ATOM 264 O VAL A 17 -8.130 -4.254 -10.159 1.00 0.00 O ATOM 265 CB VAL A 17 -9.070 -4.139 -6.859 1.00 0.00 C ATOM 266 CG1 VAL A 17 -9.552 -5.516 -7.329 1.00 0.00 C ATOM 267 CG2 VAL A 17 -8.302 -4.328 -5.542 1.00 0.00 C ATOM 0 H VAL A 17 -8.418 -1.807 -6.645 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.211 -3.977 -7.900 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.937 -3.494 -6.719 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.186 -5.961 -6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.122 -5.407 -8.252 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.692 -6.161 -7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.947 -4.815 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.423 -4.947 -5.719 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.990 -3.356 -5.160 1.00 0.00 H new ATOM 277 N LEU A 18 -9.818 -2.864 -9.624 1.00 0.00 N ATOM 278 CA LEU A 18 -10.402 -2.897 -10.958 1.00 0.00 C ATOM 279 C LEU A 18 -9.407 -2.409 -12.003 1.00 0.00 C ATOM 280 O LEU A 18 -9.281 -3.042 -13.044 1.00 0.00 O ATOM 281 CB LEU A 18 -11.680 -2.058 -11.053 1.00 0.00 C ATOM 282 CG LEU A 18 -12.903 -2.628 -10.320 1.00 0.00 C ATOM 283 CD1 LEU A 18 -14.106 -1.782 -10.743 1.00 0.00 C ATOM 284 CD2 LEU A 18 -13.187 -4.094 -10.674 1.00 0.00 C ATOM 0 H LEU A 18 -10.322 -2.280 -8.957 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.659 -3.938 -11.154 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.471 -1.064 -10.656 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.935 -1.934 -12.106 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.713 -2.594 -9.247 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -15.003 -2.151 -10.246 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.937 -0.743 -10.462 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.236 -1.849 -11.823 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -14.063 -4.438 -10.124 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.374 -4.180 -11.744 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.326 -4.706 -10.406 1.00 0.00 H new ATOM 296 N LEU A 19 -8.727 -1.291 -11.749 1.00 0.00 N ATOM 297 CA LEU A 19 -7.757 -0.724 -12.674 1.00 0.00 C ATOM 298 C LEU A 19 -6.668 -1.748 -12.999 1.00 0.00 C ATOM 299 O LEU A 19 -6.361 -1.981 -14.167 1.00 0.00 O ATOM 300 CB LEU A 19 -7.204 0.575 -12.070 1.00 0.00 C ATOM 301 CG LEU A 19 -6.155 1.268 -12.952 1.00 0.00 C ATOM 302 CD1 LEU A 19 -6.352 2.784 -12.888 1.00 0.00 C ATOM 303 CD2 LEU A 19 -4.728 0.931 -12.504 1.00 0.00 C ATOM 0 H LEU A 19 -8.837 -0.753 -10.889 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.229 -0.476 -13.625 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.030 1.264 -11.894 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.761 0.354 -11.099 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.289 0.909 -13.972 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.607 3.274 -13.514 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.350 3.037 -13.246 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.240 3.122 -11.858 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.014 1.439 -13.152 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.583 1.260 -11.475 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.572 -0.146 -12.567 1.00 0.00 H new ATOM 315 N GLU A 20 -6.100 -2.371 -11.963 1.00 0.00 N ATOM 316 CA GLU A 20 -5.064 -3.382 -12.105 1.00 0.00 C ATOM 317 C GLU A 20 -5.578 -4.582 -12.905 1.00 0.00 C ATOM 318 O GLU A 20 -4.947 -4.999 -13.876 1.00 0.00 O ATOM 319 CB GLU A 20 -4.567 -3.807 -10.716 1.00 0.00 C ATOM 320 CG GLU A 20 -3.777 -2.683 -10.030 1.00 0.00 C ATOM 321 CD GLU A 20 -3.443 -3.046 -8.586 1.00 0.00 C ATOM 322 OE1 GLU A 20 -4.303 -2.783 -7.717 1.00 0.00 O ATOM 323 OE2 GLU A 20 -2.336 -3.589 -8.379 1.00 0.00 O ATOM 0 H GLU A 20 -6.354 -2.181 -10.993 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.226 -2.959 -12.660 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.418 -4.086 -10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.936 -4.691 -10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.857 -2.492 -10.582 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.358 -1.761 -10.051 1.00 0.00 H new ATOM 330 N LYS A 21 -6.707 -5.165 -12.494 1.00 0.00 N ATOM 331 CA LYS A 21 -7.235 -6.358 -13.144 1.00 0.00 C ATOM 332 C LYS A 21 -7.665 -6.057 -14.583 1.00 0.00 C ATOM 333 O LYS A 21 -7.281 -6.759 -15.517 1.00 0.00 O ATOM 334 CB LYS A 21 -8.397 -6.929 -12.320 1.00 0.00 C ATOM 335 CG LYS A 21 -7.886 -7.527 -11.003 1.00 0.00 C ATOM 336 CD LYS A 21 -9.055 -8.072 -10.176 1.00 0.00 C ATOM 337 CE LYS A 21 -8.530 -8.810 -8.939 1.00 0.00 C ATOM 338 NZ LYS A 21 -9.632 -9.221 -8.051 1.00 0.00 N ATOM 0 H LYS A 21 -7.270 -4.827 -11.714 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.446 -7.109 -13.195 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.122 -6.142 -12.111 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.916 -7.695 -12.896 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.175 -8.327 -11.211 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.352 -6.766 -10.433 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.707 -7.253 -9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.656 -8.748 -10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.964 -9.688 -9.250 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.842 -8.165 -8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.244 -9.718 -7.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.156 -8.380 -7.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.275 -9.856 -8.566 1.00 0.00 H new ATOM 352 N SER A 22 -8.463 -5.007 -14.763 1.00 0.00 N ATOM 353 CA SER A 22 -9.094 -4.635 -16.022 1.00 0.00 C ATOM 354 C SER A 22 -8.123 -3.836 -16.895 1.00 0.00 C ATOM 355 O SER A 22 -8.485 -2.801 -17.460 1.00 0.00 O ATOM 356 CB SER A 22 -10.381 -3.844 -15.728 1.00 0.00 C ATOM 357 OG SER A 22 -11.080 -4.412 -14.640 1.00 0.00 O ATOM 0 H SER A 22 -8.696 -4.368 -14.003 1.00 0.00 H new ATOM 0 HA SER A 22 -9.360 -5.533 -16.580 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.133 -2.806 -15.505 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.019 -3.836 -16.612 1.00 0.00 H new ATOM 0 HG SER A 22 -10.674 -4.115 -13.799 1.00 0.00 H new ATOM 363 N THR A 23 -6.896 -4.336 -17.050 1.00 0.00 N ATOM 364 CA THR A 23 -5.760 -3.665 -17.673 1.00 0.00 C ATOM 365 C THR A 23 -5.892 -3.529 -19.205 1.00 0.00 C ATOM 366 O THR A 23 -4.885 -3.472 -19.906 1.00 0.00 O ATOM 367 CB THR A 23 -4.473 -4.424 -17.262 1.00 0.00 C ATOM 368 OG1 THR A 23 -4.784 -5.627 -16.574 1.00 0.00 O ATOM 369 CG2 THR A 23 -3.564 -3.565 -16.378 1.00 0.00 C ATOM 0 H THR A 23 -6.658 -5.273 -16.725 1.00 0.00 H new ATOM 0 HA THR A 23 -5.720 -2.636 -17.315 1.00 0.00 H new ATOM 0 HB THR A 23 -3.944 -4.660 -18.185 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.865 -5.444 -15.615 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.673 -4.133 -16.112 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.272 -2.666 -16.921 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.099 -3.283 -15.471 1.00 0.00 H new ATOM 377 N ARG A 24 -7.113 -3.489 -19.747 1.00 0.00 N ATOM 378 CA ARG A 24 -7.373 -3.437 -21.182 1.00 0.00 C ATOM 379 C ARG A 24 -7.451 -1.991 -21.672 1.00 0.00 C ATOM 380 O ARG A 24 -6.847 -1.630 -22.678 1.00 0.00 O ATOM 381 CB ARG A 24 -8.669 -4.200 -21.520 1.00 0.00 C ATOM 382 CG ARG A 24 -8.842 -5.530 -20.771 1.00 0.00 C ATOM 383 CD ARG A 24 -7.771 -6.582 -21.084 1.00 0.00 C ATOM 384 NE ARG A 24 -7.780 -7.617 -20.038 1.00 0.00 N ATOM 385 CZ ARG A 24 -7.136 -7.511 -18.866 1.00 0.00 C ATOM 386 NH1 ARG A 24 -6.066 -6.718 -18.738 1.00 0.00 N ATOM 387 NH2 ARG A 24 -7.585 -8.184 -17.804 1.00 0.00 N ATOM 0 H ARG A 24 -7.964 -3.492 -19.185 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.543 -3.920 -21.698 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.521 -3.559 -21.296 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.690 -4.396 -22.592 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.836 -5.332 -19.699 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.821 -5.944 -21.013 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.962 -7.032 -22.058 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.789 -6.112 -21.137 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.310 -8.470 -20.216 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.729 -6.183 -19.538 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.587 -6.648 -17.840 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.413 -8.774 -17.887 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.100 -8.108 -16.910 1.00 0.00 H new ATOM 401 N LYS A 25 -8.256 -1.186 -20.973 1.00 0.00 N ATOM 402 CA LYS A 25 -8.640 0.177 -21.340 1.00 0.00 C ATOM 403 C LYS A 25 -9.405 0.796 -20.167 1.00 0.00 C ATOM 404 O LYS A 25 -9.206 1.961 -19.823 1.00 0.00 O ATOM 405 CB LYS A 25 -9.499 0.156 -22.617 1.00 0.00 C ATOM 406 CG LYS A 25 -9.841 1.570 -23.109 1.00 0.00 C ATOM 407 CD LYS A 25 -10.797 1.591 -24.313 1.00 0.00 C ATOM 408 CE LYS A 25 -10.240 0.903 -25.568 1.00 0.00 C ATOM 409 NZ LYS A 25 -10.527 -0.543 -25.594 1.00 0.00 N ATOM 0 H LYS A 25 -8.677 -1.483 -20.093 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.755 0.779 -21.548 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.967 -0.381 -23.402 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.421 -0.393 -22.424 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.290 2.131 -22.290 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.919 2.084 -23.380 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.731 1.106 -24.030 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.036 2.626 -24.555 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.667 1.371 -26.455 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.162 1.057 -25.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.645 -1.069 -25.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.937 -0.832 -24.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.201 -0.749 -26.358 1.00 0.00 H new ATOM 423 N ARG A 26 -10.259 -0.027 -19.544 1.00 0.00 N ATOM 424 CA ARG A 26 -11.068 0.291 -18.374 1.00 0.00 C ATOM 425 C ARG A 26 -10.311 1.063 -17.293 1.00 0.00 C ATOM 426 O ARG A 26 -10.950 1.803 -16.546 1.00 0.00 O ATOM 427 CB ARG A 26 -11.655 -0.995 -17.778 1.00 0.00 C ATOM 428 CG ARG A 26 -12.528 -1.816 -18.742 1.00 0.00 C ATOM 429 CD ARG A 26 -13.640 -0.992 -19.400 1.00 0.00 C ATOM 430 NE ARG A 26 -14.457 -0.304 -18.392 1.00 0.00 N ATOM 431 CZ ARG A 26 -15.323 0.687 -18.652 1.00 0.00 C ATOM 432 NH1 ARG A 26 -15.515 1.109 -19.907 1.00 0.00 N ATOM 433 NH2 ARG A 26 -15.996 1.252 -17.647 1.00 0.00 N ATOM 0 H ARG A 26 -10.407 -0.984 -19.865 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.864 0.949 -18.723 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.836 -1.623 -17.429 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.251 -0.734 -16.904 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.895 -2.246 -19.518 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.975 -2.648 -18.198 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.201 -0.260 -20.078 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.273 -1.645 -20.001 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.359 -0.602 -17.421 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.001 0.677 -20.675 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.175 1.863 -20.096 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.850 0.930 -16.690 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.656 2.006 -17.836 1.00 0.00 H new ATOM 447 N LEU A 27 -8.983 0.910 -17.197 1.00 0.00 N ATOM 448 CA LEU A 27 -8.134 1.750 -16.353 1.00 0.00 C ATOM 449 C LEU A 27 -8.594 3.209 -16.402 1.00 0.00 C ATOM 450 O LEU A 27 -8.839 3.827 -15.371 1.00 0.00 O ATOM 451 CB LEU A 27 -6.659 1.717 -16.793 1.00 0.00 C ATOM 452 CG LEU A 27 -6.051 0.325 -17.025 1.00 0.00 C ATOM 453 CD1 LEU A 27 -6.002 0.019 -18.528 1.00 0.00 C ATOM 454 CD2 LEU A 27 -4.609 0.299 -16.503 1.00 0.00 C ATOM 0 H LEU A 27 -8.468 0.193 -17.708 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.221 1.347 -15.344 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.564 2.290 -17.715 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.064 2.229 -16.036 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.665 -0.410 -16.505 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.570 -0.969 -18.684 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.012 0.042 -18.937 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.389 0.767 -19.032 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.180 -0.689 -16.669 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.017 1.045 -17.033 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.604 0.523 -15.436 1.00 0.00 H new ATOM 466 N ARG A 28 -8.716 3.747 -17.620 1.00 0.00 N ATOM 467 CA ARG A 28 -9.099 5.130 -17.857 1.00 0.00 C ATOM 468 C ARG A 28 -10.447 5.414 -17.196 1.00 0.00 C ATOM 469 O ARG A 28 -10.581 6.318 -16.370 1.00 0.00 O ATOM 470 CB ARG A 28 -9.221 5.359 -19.368 1.00 0.00 C ATOM 471 CG ARG A 28 -7.890 5.249 -20.118 1.00 0.00 C ATOM 472 CD ARG A 28 -8.132 5.152 -21.630 1.00 0.00 C ATOM 473 NE ARG A 28 -8.947 6.271 -22.134 1.00 0.00 N ATOM 474 CZ ARG A 28 -10.272 6.260 -22.359 1.00 0.00 C ATOM 475 NH1 ARG A 28 -11.016 5.175 -22.115 1.00 0.00 N ATOM 476 NH2 ARG A 28 -10.858 7.365 -22.829 1.00 0.00 N ATOM 0 H ARG A 28 -8.547 3.220 -18.477 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.345 5.795 -17.436 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.921 4.633 -19.781 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.646 6.347 -19.543 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.269 6.117 -19.898 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.343 4.371 -19.774 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.174 5.139 -22.150 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.631 4.210 -21.857 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.456 7.143 -22.332 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.579 4.329 -21.749 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.020 5.194 -22.295 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.301 8.200 -23.011 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.863 7.374 -23.005 1.00 0.00 H new ATOM 490 N ASP A 29 -11.452 4.639 -17.606 1.00 0.00 N ATOM 491 CA ASP A 29 -12.842 4.816 -17.231 1.00 0.00 C ATOM 492 C ASP A 29 -12.979 4.776 -15.714 1.00 0.00 C ATOM 493 O ASP A 29 -13.570 5.675 -15.115 1.00 0.00 O ATOM 494 CB ASP A 29 -13.697 3.718 -17.880 1.00 0.00 C ATOM 495 CG ASP A 29 -13.577 3.699 -19.402 1.00 0.00 C ATOM 496 OD1 ASP A 29 -12.490 3.303 -19.881 1.00 0.00 O ATOM 497 OD2 ASP A 29 -14.572 4.074 -20.060 1.00 0.00 O ATOM 0 H ASP A 29 -11.308 3.845 -18.230 1.00 0.00 H new ATOM 0 HA ASP A 29 -13.192 5.786 -17.584 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.397 2.748 -17.484 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.741 3.866 -17.604 1.00 0.00 H new ATOM 502 N THR A 30 -12.428 3.727 -15.100 1.00 0.00 N ATOM 503 CA THR A 30 -12.469 3.547 -13.659 1.00 0.00 C ATOM 504 C THR A 30 -11.728 4.680 -12.966 1.00 0.00 C ATOM 505 O THR A 30 -12.318 5.325 -12.106 1.00 0.00 O ATOM 506 CB THR A 30 -11.932 2.173 -13.241 1.00 0.00 C ATOM 507 OG1 THR A 30 -10.656 1.922 -13.792 1.00 0.00 O ATOM 508 CG2 THR A 30 -12.912 1.077 -13.655 1.00 0.00 C ATOM 0 H THR A 30 -11.941 2.980 -15.595 1.00 0.00 H new ATOM 0 HA THR A 30 -13.511 3.580 -13.342 1.00 0.00 H new ATOM 0 HB THR A 30 -11.829 2.172 -12.156 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.741 1.762 -14.755 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.520 0.106 -13.353 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.874 1.247 -13.171 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.042 1.095 -14.737 1.00 0.00 H new ATOM 516 N LEU A 31 -10.467 4.941 -13.332 1.00 0.00 N ATOM 517 CA LEU A 31 -9.693 6.022 -12.739 1.00 0.00 C ATOM 518 C LEU A 31 -10.525 7.298 -12.736 1.00 0.00 C ATOM 519 O LEU A 31 -10.848 7.813 -11.670 1.00 0.00 O ATOM 520 CB LEU A 31 -8.358 6.191 -13.482 1.00 0.00 C ATOM 521 CG LEU A 31 -7.366 7.212 -12.895 1.00 0.00 C ATOM 522 CD1 LEU A 31 -7.730 8.674 -13.184 1.00 0.00 C ATOM 523 CD2 LEU A 31 -7.131 7.010 -11.394 1.00 0.00 C ATOM 0 H LEU A 31 -9.964 4.410 -14.042 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.449 5.783 -11.704 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.864 5.220 -13.520 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.575 6.479 -14.511 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.433 7.009 -13.420 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.983 9.330 -12.737 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.757 8.836 -14.262 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.709 8.896 -12.759 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.424 7.757 -11.033 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.075 7.117 -10.860 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.726 6.013 -11.220 1.00 0.00 H new ATOM 535 N THR A 32 -10.905 7.787 -13.919 1.00 0.00 N ATOM 536 CA THR A 32 -11.660 9.026 -14.029 1.00 0.00 C ATOM 537 C THR A 32 -12.953 8.951 -13.210 1.00 0.00 C ATOM 538 O THR A 32 -13.126 9.690 -12.239 1.00 0.00 O ATOM 539 CB THR A 32 -11.935 9.349 -15.505 1.00 0.00 C ATOM 540 OG1 THR A 32 -12.544 8.250 -16.153 1.00 0.00 O ATOM 541 CG2 THR A 32 -10.641 9.716 -16.240 1.00 0.00 C ATOM 0 H THR A 32 -10.699 7.339 -14.812 1.00 0.00 H new ATOM 0 HA THR A 32 -11.065 9.840 -13.615 1.00 0.00 H new ATOM 0 HB THR A 32 -12.611 10.203 -15.531 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.862 7.582 -16.374 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.866 9.940 -17.283 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.191 10.591 -15.770 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.945 8.879 -16.191 1.00 0.00 H new ATOM 549 N SER A 33 -13.868 8.068 -13.608 1.00 0.00 N ATOM 550 CA SER A 33 -15.215 8.030 -13.061 1.00 0.00 C ATOM 551 C SER A 33 -15.196 7.758 -11.558 1.00 0.00 C ATOM 552 O SER A 33 -15.829 8.472 -10.779 1.00 0.00 O ATOM 553 CB SER A 33 -16.049 6.975 -13.797 1.00 0.00 C ATOM 554 OG SER A 33 -15.900 7.120 -15.196 1.00 0.00 O ATOM 0 H SER A 33 -13.691 7.360 -14.320 1.00 0.00 H new ATOM 0 HA SER A 33 -15.674 9.007 -13.210 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.735 5.976 -13.493 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.099 7.076 -13.524 1.00 0.00 H new ATOM 0 HG SER A 33 -15.107 6.628 -15.493 1.00 0.00 H new ATOM 560 N GLU A 34 -14.487 6.706 -11.150 1.00 0.00 N ATOM 561 CA GLU A 34 -14.503 6.246 -9.776 1.00 0.00 C ATOM 562 C GLU A 34 -13.775 7.257 -8.882 1.00 0.00 C ATOM 563 O GLU A 34 -14.294 7.615 -7.825 1.00 0.00 O ATOM 564 CB GLU A 34 -13.985 4.801 -9.687 1.00 0.00 C ATOM 565 CG GLU A 34 -14.475 4.093 -8.412 1.00 0.00 C ATOM 566 CD GLU A 34 -14.217 2.584 -8.413 1.00 0.00 C ATOM 567 OE1 GLU A 34 -13.927 2.043 -9.503 1.00 0.00 O ATOM 568 OE2 GLU A 34 -14.309 1.993 -7.316 1.00 0.00 O ATOM 0 H GLU A 34 -13.889 6.155 -11.766 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.523 6.200 -9.395 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.316 4.242 -10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.895 4.804 -9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.982 4.537 -7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.544 4.271 -8.296 1.00 0.00 H new ATOM 575 N LYS A 35 -12.619 7.786 -9.311 1.00 0.00 N ATOM 576 CA LYS A 35 -11.963 8.851 -8.555 1.00 0.00 C ATOM 577 C LYS A 35 -12.899 10.056 -8.427 1.00 0.00 C ATOM 578 O LYS A 35 -13.047 10.601 -7.335 1.00 0.00 O ATOM 579 CB LYS A 35 -10.624 9.244 -9.189 1.00 0.00 C ATOM 580 CG LYS A 35 -9.794 10.155 -8.274 1.00 0.00 C ATOM 581 CD LYS A 35 -8.431 10.505 -8.895 1.00 0.00 C ATOM 582 CE LYS A 35 -8.523 11.405 -10.135 1.00 0.00 C ATOM 583 NZ LYS A 35 -9.113 12.721 -9.826 1.00 0.00 N ATOM 0 H LYS A 35 -12.132 7.498 -10.160 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.743 8.479 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.054 8.343 -9.416 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.808 9.753 -10.135 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.349 11.072 -8.075 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.640 9.662 -7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.817 11.001 -8.143 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.919 9.582 -9.166 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.527 11.545 -10.555 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.124 10.909 -10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.155 13.295 -10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.074 12.591 -9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.527 13.207 -9.118 1.00 0.00 H new ATOM 597 N SER A 36 -13.549 10.460 -9.524 1.00 0.00 N ATOM 598 CA SER A 36 -14.512 11.553 -9.476 1.00 0.00 C ATOM 599 C SER A 36 -15.596 11.277 -8.432 1.00 0.00 C ATOM 600 O SER A 36 -15.873 12.143 -7.603 1.00 0.00 O ATOM 601 CB SER A 36 -15.114 11.831 -10.857 1.00 0.00 C ATOM 602 OG SER A 36 -14.092 12.192 -11.763 1.00 0.00 O ATOM 0 H SER A 36 -13.423 10.046 -10.448 1.00 0.00 H new ATOM 0 HA SER A 36 -13.981 12.455 -9.172 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.638 10.947 -11.220 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.850 12.632 -10.788 1.00 0.00 H new ATOM 0 HG SER A 36 -13.554 11.403 -11.980 1.00 0.00 H new ATOM 608 N LYS A 37 -16.202 10.084 -8.444 1.00 0.00 N ATOM 609 CA LYS A 37 -17.176 9.696 -7.429 1.00 0.00 C ATOM 610 C LYS A 37 -16.591 9.838 -6.018 1.00 0.00 C ATOM 611 O LYS A 37 -17.214 10.474 -5.168 1.00 0.00 O ATOM 612 CB LYS A 37 -17.691 8.271 -7.683 1.00 0.00 C ATOM 613 CG LYS A 37 -18.590 8.166 -8.923 1.00 0.00 C ATOM 614 CD LYS A 37 -20.014 8.675 -8.642 1.00 0.00 C ATOM 615 CE LYS A 37 -20.911 8.588 -9.884 1.00 0.00 C ATOM 616 NZ LYS A 37 -21.101 7.198 -10.336 1.00 0.00 N ATOM 0 H LYS A 37 -16.030 9.370 -9.152 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.026 10.374 -7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.840 7.600 -7.801 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.247 7.931 -6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.153 8.742 -9.739 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.634 7.128 -9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.455 8.091 -7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -19.969 9.709 -8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.881 9.032 -9.661 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.470 9.174 -10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -21.830 7.171 -11.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.205 6.831 -10.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -21.402 6.610 -9.533 1.00 0.00 H new ATOM 630 N ILE A 38 -15.403 9.277 -5.763 1.00 0.00 N ATOM 631 CA ILE A 38 -14.747 9.391 -4.458 1.00 0.00 C ATOM 632 C ILE A 38 -14.642 10.866 -4.052 1.00 0.00 C ATOM 633 O ILE A 38 -15.107 11.245 -2.980 1.00 0.00 O ATOM 634 CB ILE A 38 -13.373 8.687 -4.456 1.00 0.00 C ATOM 635 CG1 ILE A 38 -13.570 7.166 -4.585 1.00 0.00 C ATOM 636 CG2 ILE A 38 -12.584 8.995 -3.172 1.00 0.00 C ATOM 637 CD1 ILE A 38 -12.263 6.406 -4.833 1.00 0.00 C ATOM 0 H ILE A 38 -14.875 8.737 -6.449 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.356 8.880 -3.713 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.801 9.063 -5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -14.035 6.788 -3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.261 6.964 -5.403 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.622 8.483 -3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.421 10.070 -3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.149 8.650 -2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.472 5.339 -4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.807 6.758 -5.759 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.578 6.579 -4.003 1.00 0.00 H new ATOM 649 N GLU A 39 -14.029 11.694 -4.901 1.00 0.00 N ATOM 650 CA GLU A 39 -13.822 13.109 -4.620 1.00 0.00 C ATOM 651 C GLU A 39 -15.159 13.806 -4.347 1.00 0.00 C ATOM 652 O GLU A 39 -15.302 14.527 -3.360 1.00 0.00 O ATOM 653 CB GLU A 39 -13.077 13.762 -5.792 1.00 0.00 C ATOM 654 CG GLU A 39 -11.632 13.249 -5.885 1.00 0.00 C ATOM 655 CD GLU A 39 -10.931 13.747 -7.145 1.00 0.00 C ATOM 656 OE1 GLU A 39 -11.459 13.459 -8.242 1.00 0.00 O ATOM 657 OE2 GLU A 39 -9.870 14.391 -6.997 1.00 0.00 O ATOM 0 H GLU A 39 -13.662 11.397 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.212 13.213 -3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.602 13.550 -6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.074 14.845 -5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.074 13.574 -5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.633 12.159 -5.877 1.00 0.00 H new ATOM 664 N THR A 40 -16.142 13.577 -5.217 1.00 0.00 N ATOM 665 CA THR A 40 -17.480 14.135 -5.088 1.00 0.00 C ATOM 666 C THR A 40 -18.067 13.780 -3.720 1.00 0.00 C ATOM 667 O THR A 40 -18.504 14.663 -2.984 1.00 0.00 O ATOM 668 CB THR A 40 -18.361 13.638 -6.245 1.00 0.00 C ATOM 669 OG1 THR A 40 -17.797 14.058 -7.469 1.00 0.00 O ATOM 670 CG2 THR A 40 -19.787 14.185 -6.183 1.00 0.00 C ATOM 0 H THR A 40 -16.025 12.989 -6.042 1.00 0.00 H new ATOM 0 HA THR A 40 -17.437 15.222 -5.149 1.00 0.00 H new ATOM 0 HB THR A 40 -18.405 12.552 -6.163 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.020 13.499 -7.680 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.361 13.800 -7.025 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.256 13.872 -5.250 1.00 0.00 H new ATOM 0 HG23 THR A 40 -19.761 15.274 -6.229 1.00 0.00 H new ATOM 678 N GLU A 41 -18.080 12.492 -3.370 1.00 0.00 N ATOM 679 CA GLU A 41 -18.657 12.067 -2.107 1.00 0.00 C ATOM 680 C GLU A 41 -17.855 12.583 -0.916 1.00 0.00 C ATOM 681 O GLU A 41 -18.452 12.986 0.075 1.00 0.00 O ATOM 682 CB GLU A 41 -18.866 10.550 -2.061 1.00 0.00 C ATOM 683 CG GLU A 41 -20.020 10.109 -2.976 1.00 0.00 C ATOM 684 CD GLU A 41 -21.380 10.713 -2.606 1.00 0.00 C ATOM 685 OE1 GLU A 41 -21.546 11.133 -1.436 1.00 0.00 O ATOM 686 OE2 GLU A 41 -22.238 10.755 -3.513 1.00 0.00 O ATOM 0 H GLU A 41 -17.700 11.737 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.646 12.519 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.948 10.046 -2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -19.075 10.242 -1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.780 10.384 -4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -20.097 9.022 -2.947 1.00 0.00 H new ATOM 693 N LEU A 42 -16.524 12.611 -0.995 1.00 0.00 N ATOM 694 CA LEU A 42 -15.705 13.216 0.046 1.00 0.00 C ATOM 695 C LEU A 42 -16.147 14.669 0.269 1.00 0.00 C ATOM 696 O LEU A 42 -16.487 15.063 1.386 1.00 0.00 O ATOM 697 CB LEU A 42 -14.221 13.103 -0.345 1.00 0.00 C ATOM 698 CG LEU A 42 -13.247 13.638 0.717 1.00 0.00 C ATOM 699 CD1 LEU A 42 -13.213 12.740 1.961 1.00 0.00 C ATOM 700 CD2 LEU A 42 -11.839 13.704 0.113 1.00 0.00 C ATOM 0 H LEU A 42 -15.993 12.220 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.836 12.690 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.987 12.057 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.060 13.646 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.588 14.627 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.513 13.152 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.208 12.692 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.893 11.737 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.140 14.083 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.530 12.707 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.844 14.370 -0.750 1.00 0.00 H new ATOM 712 N LYS A 43 -16.179 15.461 -0.805 1.00 0.00 N ATOM 713 CA LYS A 43 -16.555 16.866 -0.747 1.00 0.00 C ATOM 714 C LYS A 43 -17.971 17.032 -0.185 1.00 0.00 C ATOM 715 O LYS A 43 -18.214 17.894 0.662 1.00 0.00 O ATOM 716 CB LYS A 43 -16.412 17.478 -2.149 1.00 0.00 C ATOM 717 CG LYS A 43 -16.616 19.001 -2.196 1.00 0.00 C ATOM 718 CD LYS A 43 -15.658 19.800 -1.294 1.00 0.00 C ATOM 719 CE LYS A 43 -14.175 19.492 -1.537 1.00 0.00 C ATOM 720 NZ LYS A 43 -13.790 19.696 -2.945 1.00 0.00 N ATOM 0 H LYS A 43 -15.942 15.139 -1.743 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.890 17.399 -0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.420 17.243 -2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.134 17.005 -2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.494 19.340 -3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -17.642 19.227 -1.905 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.829 20.865 -1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.897 19.590 -0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.563 20.129 -0.898 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.968 18.461 -1.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.764 19.559 -3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.293 19.011 -3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.041 20.662 -3.237 1.00 0.00 H new ATOM 734 N ASN A 44 -18.918 16.219 -0.660 1.00 0.00 N ATOM 735 CA ASN A 44 -20.287 16.172 -0.158 1.00 0.00 C ATOM 736 C ASN A 44 -20.297 15.925 1.352 1.00 0.00 C ATOM 737 O ASN A 44 -20.867 16.700 2.113 1.00 0.00 O ATOM 738 CB ASN A 44 -21.048 15.065 -0.898 1.00 0.00 C ATOM 739 CG ASN A 44 -22.425 14.774 -0.313 1.00 0.00 C ATOM 740 OD1 ASN A 44 -23.105 15.664 0.187 1.00 0.00 O ATOM 741 ND2 ASN A 44 -22.854 13.515 -0.378 1.00 0.00 N ATOM 0 H ASN A 44 -18.747 15.562 -1.421 1.00 0.00 H new ATOM 0 HA ASN A 44 -20.777 17.129 -0.338 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -21.160 15.350 -1.944 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -20.454 14.151 -0.878 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -23.771 13.269 -0.006 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -22.265 12.797 -0.800 1.00 0.00 H new ATOM 748 N LYS A 45 -19.660 14.839 1.787 1.00 0.00 N ATOM 749 CA LYS A 45 -19.641 14.426 3.180 1.00 0.00 C ATOM 750 C LYS A 45 -18.952 15.470 4.062 1.00 0.00 C ATOM 751 O LYS A 45 -19.317 15.600 5.230 1.00 0.00 O ATOM 752 CB LYS A 45 -19.003 13.036 3.303 1.00 0.00 C ATOM 753 CG LYS A 45 -19.844 11.947 2.614 1.00 0.00 C ATOM 754 CD LYS A 45 -21.052 11.514 3.455 1.00 0.00 C ATOM 755 CE LYS A 45 -21.786 10.330 2.812 1.00 0.00 C ATOM 756 NZ LYS A 45 -22.340 10.673 1.489 1.00 0.00 N ATOM 0 H LYS A 45 -19.138 14.217 1.170 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.666 14.353 3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.006 13.056 2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.881 12.786 4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.191 12.317 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.215 11.079 2.414 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.720 11.238 4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.739 12.353 3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.099 9.490 2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.592 10.004 3.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.967 9.908 1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.881 11.558 1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.563 10.794 0.808 1.00 0.00 H new ATOM 770 N MET A 46 -17.982 16.224 3.528 1.00 0.00 N ATOM 771 CA MET A 46 -17.445 17.376 4.239 1.00 0.00 C ATOM 772 C MET A 46 -18.497 18.494 4.292 1.00 0.00 C ATOM 773 O MET A 46 -19.093 18.741 5.341 1.00 0.00 O ATOM 774 CB MET A 46 -16.160 17.872 3.557 1.00 0.00 C ATOM 775 CG MET A 46 -14.964 16.947 3.801 1.00 0.00 C ATOM 776 SD MET A 46 -13.442 17.502 2.985 1.00 0.00 S ATOM 777 CE MET A 46 -12.279 16.285 3.629 1.00 0.00 C ATOM 0 H MET A 46 -17.561 16.054 2.615 1.00 0.00 H new ATOM 0 HA MET A 46 -17.198 17.081 5.259 1.00 0.00 H new ATOM 0 HB2 MET A 46 -16.334 17.959 2.484 1.00 0.00 H new ATOM 0 HB3 MET A 46 -15.922 18.871 3.923 1.00 0.00 H new ATOM 0 HG2 MET A 46 -14.785 16.872 4.874 1.00 0.00 H new ATOM 0 HG3 MET A 46 -15.211 15.946 3.449 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.371 16.294 3.026 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.031 16.530 4.662 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.731 15.294 3.590 1.00 0.00 H new