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 Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.16) USER MOD Single : A 10 LYS NZ :NH3+ -165:sc= 0.838 (180deg=0.708) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 142:sc= 0 (180deg=-0.52) USER MOD Single : A 22 SER OG : rot 82:sc= 0.678 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.58 USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0663) USER MOD Single : A 30 THR OG1 : rot 82:sc= 2.35 USER MOD Single : A 32 THR OG1 : rot -77:sc= 0.984 USER MOD Single : A 33 SER OG : rot 83:sc= 1.17 USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 0.57 (180deg=0.494) USER MOD Single : A 36 SER OG : rot 75:sc= 1.19 USER MOD Single : A 37 LYS NZ :NH3+ 138:sc= 0.328 (180deg=-0.784) USER MOD Single : A 40 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0423 X(o=-0.042,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -149:sc= 0 (180deg=-0.291) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -15.103 8.131 10.616 1.00 0.00 N ATOM 19 CA ALA A 2 -14.339 6.909 10.387 1.00 0.00 C ATOM 20 C ALA A 2 -15.007 6.030 9.327 1.00 0.00 C ATOM 21 O ALA A 2 -14.367 5.632 8.359 1.00 0.00 O ATOM 22 CB ALA A 2 -14.168 6.151 11.706 1.00 0.00 C ATOM 0 HA ALA A 2 -13.353 7.179 10.008 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.597 5.239 11.530 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.637 6.780 12.421 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.148 5.894 12.107 1.00 0.00 H new ATOM 28 N SER A 3 -16.309 5.775 9.484 1.00 0.00 N ATOM 29 CA SER A 3 -17.092 5.007 8.523 1.00 0.00 C ATOM 30 C SER A 3 -16.943 5.576 7.105 1.00 0.00 C ATOM 31 O SER A 3 -16.740 4.830 6.150 1.00 0.00 O ATOM 32 CB SER A 3 -18.561 4.982 8.966 1.00 0.00 C ATOM 33 OG SER A 3 -19.331 4.156 8.117 1.00 0.00 O ATOM 0 H SER A 3 -16.848 6.099 10.287 1.00 0.00 H new ATOM 0 HA SER A 3 -16.717 3.984 8.495 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.629 4.620 9.992 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.964 5.995 8.958 1.00 0.00 H new ATOM 0 HG SER A 3 -20.263 4.154 8.420 1.00 0.00 H new ATOM 39 N VAL A 4 -17.021 6.901 6.963 1.00 0.00 N ATOM 40 CA VAL A 4 -16.914 7.557 5.669 1.00 0.00 C ATOM 41 C VAL A 4 -15.518 7.305 5.101 1.00 0.00 C ATOM 42 O VAL A 4 -15.380 6.887 3.953 1.00 0.00 O ATOM 43 CB VAL A 4 -17.224 9.060 5.796 1.00 0.00 C ATOM 44 CG1 VAL A 4 -17.320 9.709 4.410 1.00 0.00 C ATOM 45 CG2 VAL A 4 -18.537 9.300 6.553 1.00 0.00 C ATOM 0 H VAL A 4 -17.160 7.543 7.743 1.00 0.00 H new ATOM 0 HA VAL A 4 -17.649 7.143 4.979 1.00 0.00 H new ATOM 0 HB VAL A 4 -16.407 9.512 6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -17.540 10.771 4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -16.373 9.587 3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -18.116 9.231 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -18.725 10.371 6.624 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -19.358 8.822 6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -18.462 8.877 7.555 1.00 0.00 H new ATOM 55 N LEU A 5 -14.481 7.528 5.914 1.00 0.00 N ATOM 56 CA LEU A 5 -13.106 7.265 5.504 1.00 0.00 C ATOM 57 C LEU A 5 -12.951 5.814 5.037 1.00 0.00 C ATOM 58 O LEU A 5 -12.402 5.565 3.967 1.00 0.00 O ATOM 59 CB LEU A 5 -12.113 7.591 6.630 1.00 0.00 C ATOM 60 CG LEU A 5 -12.184 9.044 7.132 1.00 0.00 C ATOM 61 CD1 LEU A 5 -11.155 9.239 8.250 1.00 0.00 C ATOM 62 CD2 LEU A 5 -11.924 10.065 6.017 1.00 0.00 C ATOM 0 H LEU A 5 -14.573 7.891 6.863 1.00 0.00 H new ATOM 0 HA LEU A 5 -12.875 7.921 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.298 6.919 7.468 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.102 7.389 6.277 1.00 0.00 H new ATOM 0 HG LEU A 5 -13.195 9.216 7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.200 10.267 8.611 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.376 8.557 9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.156 9.033 7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.986 11.074 6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.930 9.903 5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.671 9.945 5.232 1.00 0.00 H new ATOM 74 N GLU A 6 -13.455 4.859 5.823 1.00 0.00 N ATOM 75 CA GLU A 6 -13.443 3.444 5.478 1.00 0.00 C ATOM 76 C GLU A 6 -14.125 3.210 4.125 1.00 0.00 C ATOM 77 O GLU A 6 -13.549 2.562 3.255 1.00 0.00 O ATOM 78 CB GLU A 6 -14.102 2.624 6.596 1.00 0.00 C ATOM 79 CG GLU A 6 -13.242 2.608 7.869 1.00 0.00 C ATOM 80 CD GLU A 6 -14.015 2.038 9.055 1.00 0.00 C ATOM 81 OE1 GLU A 6 -14.228 0.806 9.051 1.00 0.00 O ATOM 82 OE2 GLU A 6 -14.390 2.843 9.936 1.00 0.00 O ATOM 0 H GLU A 6 -13.887 5.054 6.726 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.410 3.111 5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.083 3.041 6.824 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.263 1.602 6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.345 2.013 7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.912 3.621 8.100 1.00 0.00 H new ATOM 89 N GLU A 7 -15.337 3.738 3.930 1.00 0.00 N ATOM 90 CA GLU A 7 -16.048 3.600 2.662 1.00 0.00 C ATOM 91 C GLU A 7 -15.215 4.146 1.498 1.00 0.00 C ATOM 92 O GLU A 7 -15.018 3.454 0.500 1.00 0.00 O ATOM 93 CB GLU A 7 -17.419 4.288 2.738 1.00 0.00 C ATOM 94 CG GLU A 7 -18.407 3.508 3.616 1.00 0.00 C ATOM 95 CD GLU A 7 -18.823 2.190 2.969 1.00 0.00 C ATOM 96 OE1 GLU A 7 -19.615 2.259 2.004 1.00 0.00 O ATOM 97 OE2 GLU A 7 -18.332 1.141 3.439 1.00 0.00 O ATOM 0 H GLU A 7 -15.845 4.266 4.639 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.211 2.539 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.297 5.295 3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.829 4.390 1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.952 3.309 4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.291 4.118 3.798 1.00 0.00 H new ATOM 104 N LEU A 8 -14.714 5.378 1.617 1.00 0.00 N ATOM 105 CA LEU A 8 -13.885 5.982 0.579 1.00 0.00 C ATOM 106 C LEU A 8 -12.650 5.110 0.309 1.00 0.00 C ATOM 107 O LEU A 8 -12.300 4.863 -0.844 1.00 0.00 O ATOM 108 CB LEU A 8 -13.496 7.415 0.971 1.00 0.00 C ATOM 109 CG LEU A 8 -14.698 8.367 1.107 1.00 0.00 C ATOM 110 CD1 LEU A 8 -14.237 9.635 1.832 1.00 0.00 C ATOM 111 CD2 LEU A 8 -15.291 8.765 -0.248 1.00 0.00 C ATOM 0 H LEU A 8 -14.871 5.977 2.428 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.458 6.039 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.955 7.389 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.811 7.814 0.223 1.00 0.00 H new ATOM 0 HG LEU A 8 -15.474 7.843 1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.078 10.321 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.858 9.372 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.446 10.116 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.135 9.437 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.531 9.270 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.630 7.872 -0.773 1.00 0.00 H new ATOM 123 N GLN A 9 -11.997 4.618 1.365 1.00 0.00 N ATOM 124 CA GLN A 9 -10.838 3.748 1.240 1.00 0.00 C ATOM 125 C GLN A 9 -11.202 2.456 0.502 1.00 0.00 C ATOM 126 O GLN A 9 -10.470 2.032 -0.388 1.00 0.00 O ATOM 127 CB GLN A 9 -10.240 3.469 2.629 1.00 0.00 C ATOM 128 CG GLN A 9 -8.897 2.724 2.561 1.00 0.00 C ATOM 129 CD GLN A 9 -7.829 3.482 1.775 1.00 0.00 C ATOM 130 OE1 GLN A 9 -7.201 2.932 0.878 1.00 0.00 O ATOM 131 NE2 GLN A 9 -7.618 4.757 2.093 1.00 0.00 N ATOM 0 H GLN A 9 -12.262 4.816 2.330 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.078 4.251 0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.100 4.413 3.156 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.948 2.880 3.213 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.536 2.546 3.574 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.053 1.748 2.102 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.155 5.191 2.844 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.920 5.300 1.586 1.00 0.00 H new ATOM 140 N LYS A 10 -12.322 1.822 0.856 1.00 0.00 N ATOM 141 CA LYS A 10 -12.781 0.628 0.161 1.00 0.00 C ATOM 142 C LYS A 10 -13.028 0.953 -1.314 1.00 0.00 C ATOM 143 O LYS A 10 -12.609 0.202 -2.191 1.00 0.00 O ATOM 144 CB LYS A 10 -14.023 0.038 0.848 1.00 0.00 C ATOM 145 CG LYS A 10 -14.668 -1.120 0.067 1.00 0.00 C ATOM 146 CD LYS A 10 -13.696 -2.272 -0.238 1.00 0.00 C ATOM 147 CE LYS A 10 -14.363 -3.311 -1.145 1.00 0.00 C ATOM 148 NZ LYS A 10 -13.397 -4.337 -1.579 1.00 0.00 N ATOM 0 H LYS A 10 -12.926 2.120 1.622 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.008 -0.139 0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.745 -0.315 1.841 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.761 0.828 0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.511 -1.508 0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.069 -0.736 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.800 -1.881 -0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.378 -2.743 0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.188 -3.786 -0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.789 -2.816 -2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.794 -4.872 -2.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.512 -3.878 -1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.202 -4.986 -0.790 1.00 0.00 H new ATOM 162 N ASP A 11 -13.698 2.071 -1.597 1.00 0.00 N ATOM 163 CA ASP A 11 -13.945 2.509 -2.965 1.00 0.00 C ATOM 164 C ASP A 11 -12.617 2.615 -3.731 1.00 0.00 C ATOM 165 O ASP A 11 -12.456 2.014 -4.794 1.00 0.00 O ATOM 166 CB ASP A 11 -14.736 3.828 -2.940 1.00 0.00 C ATOM 167 CG ASP A 11 -15.318 4.221 -4.294 1.00 0.00 C ATOM 168 OD1 ASP A 11 -15.082 3.476 -5.267 1.00 0.00 O ATOM 169 OD2 ASP A 11 -16.004 5.266 -4.328 1.00 0.00 O ATOM 0 H ASP A 11 -14.082 2.693 -0.886 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.552 1.777 -3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.547 3.741 -2.217 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.082 4.627 -2.590 1.00 0.00 H new ATOM 174 N LEU A 12 -11.645 3.331 -3.153 1.00 0.00 N ATOM 175 CA LEU A 12 -10.284 3.459 -3.673 1.00 0.00 C ATOM 176 C LEU A 12 -9.698 2.073 -3.965 1.00 0.00 C ATOM 177 O LEU A 12 -9.273 1.791 -5.084 1.00 0.00 O ATOM 178 CB LEU A 12 -9.434 4.262 -2.671 1.00 0.00 C ATOM 179 CG LEU A 12 -8.119 4.836 -3.228 1.00 0.00 C ATOM 180 CD1 LEU A 12 -7.572 5.856 -2.221 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.044 3.766 -3.460 1.00 0.00 C ATOM 0 H LEU A 12 -11.790 3.850 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.288 4.003 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.037 5.086 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.199 3.619 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.345 5.288 -4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.639 6.275 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.299 6.656 -2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.389 5.363 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.142 4.235 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.814 3.271 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.411 3.030 -4.176 1.00 0.00 H new ATOM 193 N GLU A 13 -9.689 1.198 -2.959 1.00 0.00 N ATOM 194 CA GLU A 13 -9.202 -0.168 -3.077 1.00 0.00 C ATOM 195 C GLU A 13 -9.871 -0.879 -4.258 1.00 0.00 C ATOM 196 O GLU A 13 -9.191 -1.527 -5.051 1.00 0.00 O ATOM 197 CB GLU A 13 -9.394 -0.883 -1.729 1.00 0.00 C ATOM 198 CG GLU A 13 -8.784 -2.294 -1.669 1.00 0.00 C ATOM 199 CD GLU A 13 -9.698 -3.418 -2.163 1.00 0.00 C ATOM 200 OE1 GLU A 13 -10.874 -3.133 -2.479 1.00 0.00 O ATOM 201 OE2 GLU A 13 -9.203 -4.564 -2.186 1.00 0.00 O ATOM 0 H GLU A 13 -10.027 1.427 -2.024 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.135 -0.180 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.950 -0.274 -0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.461 -0.952 -1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.870 -2.303 -2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.498 -2.506 -0.639 1.00 0.00 H new ATOM 208 N GLU A 14 -11.191 -0.742 -4.393 1.00 0.00 N ATOM 209 CA GLU A 14 -11.944 -1.382 -5.455 1.00 0.00 C ATOM 210 C GLU A 14 -11.452 -0.901 -6.823 1.00 0.00 C ATOM 211 O GLU A 14 -11.112 -1.728 -7.672 1.00 0.00 O ATOM 212 CB GLU A 14 -13.450 -1.153 -5.247 1.00 0.00 C ATOM 213 CG GLU A 14 -14.310 -2.069 -6.131 1.00 0.00 C ATOM 214 CD GLU A 14 -14.128 -3.547 -5.788 1.00 0.00 C ATOM 215 OE1 GLU A 14 -14.476 -3.914 -4.644 1.00 0.00 O ATOM 216 OE2 GLU A 14 -13.641 -4.280 -6.676 1.00 0.00 O ATOM 0 H GLU A 14 -11.763 -0.180 -3.763 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.778 -2.459 -5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.699 -1.325 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.690 -0.112 -5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.360 -1.799 -6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.051 -1.907 -7.177 1.00 0.00 H new ATOM 223 N VAL A 15 -11.389 0.419 -7.053 1.00 0.00 N ATOM 224 CA VAL A 15 -10.858 0.905 -8.328 1.00 0.00 C ATOM 225 C VAL A 15 -9.423 0.433 -8.539 1.00 0.00 C ATOM 226 O VAL A 15 -9.098 -0.021 -9.630 1.00 0.00 O ATOM 227 CB VAL A 15 -11.029 2.419 -8.558 1.00 0.00 C ATOM 228 CG1 VAL A 15 -10.553 3.314 -7.412 1.00 0.00 C ATOM 229 CG2 VAL A 15 -10.284 2.867 -9.822 1.00 0.00 C ATOM 0 H VAL A 15 -11.687 1.142 -6.399 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.478 0.452 -9.102 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.108 2.544 -8.646 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.718 4.359 -7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.112 3.075 -6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.490 3.147 -7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.419 3.939 -9.963 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.222 2.646 -9.716 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.681 2.334 -10.686 1.00 0.00 H new ATOM 239 N LYS A 16 -8.565 0.517 -7.521 1.00 0.00 N ATOM 240 CA LYS A 16 -7.185 0.066 -7.636 1.00 0.00 C ATOM 241 C LYS A 16 -7.134 -1.392 -8.118 1.00 0.00 C ATOM 242 O LYS A 16 -6.471 -1.697 -9.108 1.00 0.00 O ATOM 243 CB LYS A 16 -6.473 0.289 -6.295 1.00 0.00 C ATOM 244 CG LYS A 16 -4.991 -0.100 -6.336 1.00 0.00 C ATOM 245 CD LYS A 16 -4.222 0.479 -5.139 1.00 0.00 C ATOM 246 CE LYS A 16 -4.855 0.097 -3.795 1.00 0.00 C ATOM 247 NZ LYS A 16 -4.008 0.516 -2.665 1.00 0.00 N ATOM 0 H LYS A 16 -8.807 0.896 -6.605 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.654 0.648 -8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.561 1.338 -6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.975 -0.292 -5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.899 -1.186 -6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.545 0.259 -7.264 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.192 0.123 -5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.186 1.565 -5.225 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.837 0.562 -3.708 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.009 -0.981 -3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.463 0.244 -1.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.080 0.053 -2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.882 1.548 -2.689 1.00 0.00 H new ATOM 261 N VAL A 17 -7.857 -2.284 -7.435 1.00 0.00 N ATOM 262 CA VAL A 17 -7.958 -3.690 -7.800 1.00 0.00 C ATOM 263 C VAL A 17 -8.449 -3.841 -9.243 1.00 0.00 C ATOM 264 O VAL A 17 -7.788 -4.488 -10.060 1.00 0.00 O ATOM 265 CB VAL A 17 -8.863 -4.416 -6.784 1.00 0.00 C ATOM 266 CG1 VAL A 17 -9.316 -5.797 -7.272 1.00 0.00 C ATOM 267 CG2 VAL A 17 -8.110 -4.601 -5.461 1.00 0.00 C ATOM 0 H VAL A 17 -8.394 -2.041 -6.602 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.973 -4.156 -7.762 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.748 -3.793 -6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.950 -6.260 -6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.878 -5.689 -8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.443 -6.425 -7.448 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.752 -5.114 -4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.212 -5.194 -5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.830 -3.626 -5.063 1.00 0.00 H new ATOM 277 N LEU A 18 -9.610 -3.265 -9.566 1.00 0.00 N ATOM 278 CA LEU A 18 -10.185 -3.419 -10.895 1.00 0.00 C ATOM 279 C LEU A 18 -9.250 -2.893 -11.976 1.00 0.00 C ATOM 280 O LEU A 18 -9.122 -3.531 -13.013 1.00 0.00 O ATOM 281 CB LEU A 18 -11.549 -2.735 -11.003 1.00 0.00 C ATOM 282 CG LEU A 18 -12.678 -3.490 -10.286 1.00 0.00 C ATOM 283 CD1 LEU A 18 -13.972 -2.717 -10.537 1.00 0.00 C ATOM 284 CD2 LEU A 18 -12.866 -4.917 -10.822 1.00 0.00 C ATOM 0 H LEU A 18 -10.163 -2.693 -8.928 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.324 -4.489 -11.052 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.475 -1.730 -10.588 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.808 -2.626 -12.056 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.425 -3.564 -9.228 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.800 -3.224 -10.042 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.875 -1.707 -10.140 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.165 -2.669 -11.609 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.676 -5.405 -10.280 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.111 -4.878 -11.883 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.944 -5.482 -10.683 1.00 0.00 H new ATOM 296 N LEU A 19 -8.613 -1.746 -11.747 1.00 0.00 N ATOM 297 CA LEU A 19 -7.656 -1.148 -12.664 1.00 0.00 C ATOM 298 C LEU A 19 -6.476 -2.095 -12.873 1.00 0.00 C ATOM 299 O LEU A 19 -6.102 -2.386 -14.008 1.00 0.00 O ATOM 300 CB LEU A 19 -7.234 0.216 -12.097 1.00 0.00 C ATOM 301 CG LEU A 19 -6.259 0.991 -12.997 1.00 0.00 C ATOM 302 CD1 LEU A 19 -6.533 2.493 -12.868 1.00 0.00 C ATOM 303 CD2 LEU A 19 -4.791 0.725 -12.631 1.00 0.00 C ATOM 0 H LEU A 19 -8.754 -1.198 -10.899 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.099 -0.985 -13.646 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.125 0.823 -11.936 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.771 0.065 -11.122 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.419 0.650 -14.020 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.842 3.045 -13.506 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.557 2.704 -13.175 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.394 2.800 -11.831 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.141 1.295 -13.295 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.612 1.029 -11.600 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.576 -0.338 -12.738 1.00 0.00 H new ATOM 315 N GLU A 20 -5.890 -2.568 -11.768 1.00 0.00 N ATOM 316 CA GLU A 20 -4.748 -3.468 -11.776 1.00 0.00 C ATOM 317 C GLU A 20 -5.055 -4.720 -12.602 1.00 0.00 C ATOM 318 O GLU A 20 -4.244 -5.134 -13.426 1.00 0.00 O ATOM 319 CB GLU A 20 -4.377 -3.819 -10.327 1.00 0.00 C ATOM 320 CG GLU A 20 -3.094 -4.654 -10.228 1.00 0.00 C ATOM 321 CD GLU A 20 -2.803 -5.029 -8.780 1.00 0.00 C ATOM 322 OE1 GLU A 20 -3.458 -5.981 -8.301 1.00 0.00 O ATOM 323 OE2 GLU A 20 -1.946 -4.351 -8.174 1.00 0.00 O ATOM 0 H GLU A 20 -6.207 -2.327 -10.829 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.895 -2.978 -12.245 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.251 -2.899 -9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.199 -4.369 -9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.196 -5.558 -10.829 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.256 -4.091 -10.638 1.00 0.00 H new ATOM 330 N LYS A 21 -6.212 -5.341 -12.355 1.00 0.00 N ATOM 331 CA LYS A 21 -6.593 -6.578 -13.023 1.00 0.00 C ATOM 332 C LYS A 21 -7.075 -6.325 -14.455 1.00 0.00 C ATOM 333 O LYS A 21 -6.562 -6.904 -15.412 1.00 0.00 O ATOM 334 CB LYS A 21 -7.682 -7.279 -12.200 1.00 0.00 C ATOM 335 CG LYS A 21 -7.111 -7.826 -10.888 1.00 0.00 C ATOM 336 CD LYS A 21 -8.238 -8.418 -10.031 1.00 0.00 C ATOM 337 CE LYS A 21 -7.686 -9.311 -8.910 1.00 0.00 C ATOM 338 NZ LYS A 21 -6.668 -8.628 -8.091 1.00 0.00 N ATOM 0 H LYS A 21 -6.904 -4.998 -11.689 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.715 -7.220 -13.092 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.489 -6.578 -11.986 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.114 -8.094 -12.781 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.363 -8.590 -11.098 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.607 -7.029 -10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.828 -7.611 -9.597 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.909 -8.999 -10.663 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.507 -9.632 -8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.252 -10.210 -9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.782 -8.904 -7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.719 -8.899 -8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.784 -7.598 -8.181 1.00 0.00 H new ATOM 352 N SER A 22 -8.098 -5.485 -14.598 1.00 0.00 N ATOM 353 CA SER A 22 -8.841 -5.275 -15.831 1.00 0.00 C ATOM 354 C SER A 22 -8.120 -4.301 -16.763 1.00 0.00 C ATOM 355 O SER A 22 -8.677 -3.278 -17.158 1.00 0.00 O ATOM 356 CB SER A 22 -10.260 -4.789 -15.494 1.00 0.00 C ATOM 357 OG SER A 22 -10.742 -5.392 -14.311 1.00 0.00 O ATOM 0 H SER A 22 -8.442 -4.912 -13.827 1.00 0.00 H new ATOM 0 HA SER A 22 -8.910 -6.222 -16.366 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.257 -3.705 -15.377 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.931 -5.019 -16.321 1.00 0.00 H new ATOM 0 HG SER A 22 -10.393 -4.910 -13.532 1.00 0.00 H new ATOM 363 N THR A 23 -6.902 -4.642 -17.179 1.00 0.00 N ATOM 364 CA THR A 23 -6.007 -3.779 -17.948 1.00 0.00 C ATOM 365 C THR A 23 -6.497 -3.425 -19.370 1.00 0.00 C ATOM 366 O THR A 23 -5.735 -2.895 -20.178 1.00 0.00 O ATOM 367 CB THR A 23 -4.645 -4.482 -18.019 1.00 0.00 C ATOM 368 OG1 THR A 23 -4.846 -5.809 -18.476 1.00 0.00 O ATOM 369 CG2 THR A 23 -3.976 -4.538 -16.644 1.00 0.00 C ATOM 0 H THR A 23 -6.497 -5.558 -16.984 1.00 0.00 H new ATOM 0 HA THR A 23 -5.958 -2.820 -17.432 1.00 0.00 H new ATOM 0 HB THR A 23 -4.000 -3.922 -18.697 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.983 -6.271 -18.528 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.013 -5.042 -16.728 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.824 -3.525 -16.272 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.614 -5.087 -15.951 1.00 0.00 H new ATOM 377 N ARG A 24 -7.755 -3.699 -19.712 1.00 0.00 N ATOM 378 CA ARG A 24 -8.259 -3.609 -21.072 1.00 0.00 C ATOM 379 C ARG A 24 -8.798 -2.198 -21.311 1.00 0.00 C ATOM 380 O ARG A 24 -10.004 -2.020 -21.468 1.00 0.00 O ATOM 381 CB ARG A 24 -9.334 -4.690 -21.301 1.00 0.00 C ATOM 382 CG ARG A 24 -8.809 -6.139 -21.345 1.00 0.00 C ATOM 383 CD ARG A 24 -8.028 -6.538 -20.088 1.00 0.00 C ATOM 384 NE ARG A 24 -7.985 -7.987 -19.871 1.00 0.00 N ATOM 385 CZ ARG A 24 -7.482 -8.517 -18.746 1.00 0.00 C ATOM 386 NH1 ARG A 24 -6.684 -7.779 -17.963 1.00 0.00 N ATOM 387 NH2 ARG A 24 -7.796 -9.768 -18.400 1.00 0.00 N ATOM 0 H ARG A 24 -8.460 -3.994 -19.037 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.459 -3.791 -21.790 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.078 -4.614 -20.508 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.846 -4.477 -22.239 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.651 -6.820 -21.473 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.166 -6.259 -22.217 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.009 -6.158 -20.165 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.481 -6.060 -19.219 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.347 -8.609 -20.594 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.461 -6.818 -18.223 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.299 -8.178 -17.107 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.418 -10.320 -18.991 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.414 -10.172 -17.545 1.00 0.00 H new ATOM 401 N LYS A 25 -7.911 -1.195 -21.304 1.00 0.00 N ATOM 402 CA LYS A 25 -8.188 0.223 -21.580 1.00 0.00 C ATOM 403 C LYS A 25 -8.993 0.922 -20.476 1.00 0.00 C ATOM 404 O LYS A 25 -8.664 2.048 -20.096 1.00 0.00 O ATOM 405 CB LYS A 25 -8.834 0.415 -22.965 1.00 0.00 C ATOM 406 CG LYS A 25 -9.124 1.881 -23.330 1.00 0.00 C ATOM 407 CD LYS A 25 -7.864 2.759 -23.357 1.00 0.00 C ATOM 408 CE LYS A 25 -8.187 4.180 -23.835 1.00 0.00 C ATOM 409 NZ LYS A 25 -9.078 4.887 -22.897 1.00 0.00 N ATOM 0 H LYS A 25 -6.926 -1.359 -21.094 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.216 0.717 -21.590 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.177 -0.013 -23.722 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.767 -0.147 -22.999 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.605 1.917 -24.308 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.832 2.294 -22.611 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.424 2.799 -22.360 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.120 2.311 -24.016 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.261 4.743 -23.950 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.657 4.134 -24.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.177 5.879 -23.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.013 4.431 -22.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.674 4.850 -21.940 1.00 0.00 H new ATOM 423 N ARG A 26 -10.036 0.270 -19.951 1.00 0.00 N ATOM 424 CA ARG A 26 -10.985 0.831 -18.996 1.00 0.00 C ATOM 425 C ARG A 26 -10.350 1.438 -17.746 1.00 0.00 C ATOM 426 O ARG A 26 -11.049 2.130 -17.011 1.00 0.00 O ATOM 427 CB ARG A 26 -12.033 -0.212 -18.592 1.00 0.00 C ATOM 428 CG ARG A 26 -11.432 -1.469 -17.940 1.00 0.00 C ATOM 429 CD ARG A 26 -12.501 -2.212 -17.135 1.00 0.00 C ATOM 430 NE ARG A 26 -12.869 -1.437 -15.944 1.00 0.00 N ATOM 431 CZ ARG A 26 -13.540 -1.875 -14.875 1.00 0.00 C ATOM 432 NH1 ARG A 26 -13.863 -3.166 -14.729 1.00 0.00 N ATOM 433 NH2 ARG A 26 -13.883 -0.972 -13.956 1.00 0.00 N ATOM 0 H ARG A 26 -10.246 -0.699 -20.192 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.459 1.658 -19.525 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.739 0.245 -17.898 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.599 -0.507 -19.475 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.024 -2.126 -18.708 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.605 -1.189 -17.288 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.382 -2.380 -17.755 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.128 -3.192 -16.839 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.581 -0.458 -15.931 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.596 -3.843 -15.444 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.376 -3.473 -13.903 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.632 0.008 -14.086 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.396 -1.261 -13.123 1.00 0.00 H new ATOM 447 N LEU A 27 -9.063 1.182 -17.489 1.00 0.00 N ATOM 448 CA LEU A 27 -8.272 1.810 -16.443 1.00 0.00 C ATOM 449 C LEU A 27 -8.604 3.298 -16.352 1.00 0.00 C ATOM 450 O LEU A 27 -8.960 3.791 -15.288 1.00 0.00 O ATOM 451 CB LEU A 27 -6.767 1.651 -16.720 1.00 0.00 C ATOM 452 CG LEU A 27 -6.288 0.201 -16.915 1.00 0.00 C ATOM 453 CD1 LEU A 27 -6.491 -0.274 -18.362 1.00 0.00 C ATOM 454 CD2 LEU A 27 -4.790 0.111 -16.607 1.00 0.00 C ATOM 0 H LEU A 27 -8.529 0.503 -18.030 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.515 1.318 -15.501 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.515 2.223 -17.613 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.212 2.092 -15.892 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.873 -0.427 -16.243 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.141 -1.302 -18.460 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.550 -0.225 -18.616 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.926 0.368 -19.038 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.451 -0.916 -16.745 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.240 0.768 -17.280 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.612 0.416 -15.576 1.00 0.00 H new ATOM 466 N ARG A 28 -8.497 4.009 -17.479 1.00 0.00 N ATOM 467 CA ARG A 28 -8.665 5.455 -17.513 1.00 0.00 C ATOM 468 C ARG A 28 -10.092 5.840 -17.115 1.00 0.00 C ATOM 469 O ARG A 28 -10.308 6.659 -16.217 1.00 0.00 O ATOM 470 CB ARG A 28 -8.292 5.968 -18.913 1.00 0.00 C ATOM 471 CG ARG A 28 -8.435 7.489 -19.082 1.00 0.00 C ATOM 472 CD ARG A 28 -7.754 8.294 -17.969 1.00 0.00 C ATOM 473 NE ARG A 28 -6.365 7.867 -17.752 1.00 0.00 N ATOM 474 CZ ARG A 28 -5.647 8.142 -16.654 1.00 0.00 C ATOM 475 NH1 ARG A 28 -6.147 8.928 -15.695 1.00 0.00 N ATOM 476 NH2 ARG A 28 -4.421 7.625 -16.521 1.00 0.00 N ATOM 0 H ARG A 28 -8.292 3.594 -18.388 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.001 5.926 -16.788 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.262 5.684 -19.130 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.922 5.470 -19.650 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.011 7.781 -20.043 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.494 7.746 -19.110 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.772 9.353 -18.225 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.317 8.180 -17.043 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.916 7.323 -18.489 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.082 9.324 -15.796 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.594 9.132 -14.863 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.038 7.026 -17.252 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.869 7.830 -15.688 1.00 0.00 H new ATOM 490 N ASP A 29 -11.071 5.241 -17.794 1.00 0.00 N ATOM 491 CA ASP A 29 -12.491 5.497 -17.577 1.00 0.00 C ATOM 492 C ASP A 29 -12.846 5.246 -16.110 1.00 0.00 C ATOM 493 O ASP A 29 -13.439 6.089 -15.434 1.00 0.00 O ATOM 494 CB ASP A 29 -13.324 4.589 -18.496 1.00 0.00 C ATOM 495 CG ASP A 29 -12.916 4.710 -19.961 1.00 0.00 C ATOM 496 OD1 ASP A 29 -11.825 4.189 -20.286 1.00 0.00 O ATOM 497 OD2 ASP A 29 -13.692 5.320 -20.727 1.00 0.00 O ATOM 0 H ASP A 29 -10.893 4.551 -18.524 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.714 6.537 -17.814 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.213 3.553 -18.176 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.379 4.843 -18.394 1.00 0.00 H new ATOM 502 N THR A 30 -12.455 4.070 -15.622 1.00 0.00 N ATOM 503 CA THR A 30 -12.675 3.630 -14.258 1.00 0.00 C ATOM 504 C THR A 30 -12.018 4.617 -13.289 1.00 0.00 C ATOM 505 O THR A 30 -12.677 5.082 -12.364 1.00 0.00 O ATOM 506 CB THR A 30 -12.160 2.190 -14.086 1.00 0.00 C ATOM 507 OG1 THR A 30 -12.770 1.342 -15.036 1.00 0.00 O ATOM 508 CG2 THR A 30 -12.486 1.636 -12.699 1.00 0.00 C ATOM 0 H THR A 30 -11.961 3.380 -16.188 1.00 0.00 H new ATOM 0 HA THR A 30 -13.741 3.616 -14.030 1.00 0.00 H new ATOM 0 HB THR A 30 -11.079 2.220 -14.221 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.304 1.424 -15.894 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.107 0.618 -12.616 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.018 2.261 -11.938 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.566 1.634 -12.553 1.00 0.00 H new ATOM 516 N LEU A 31 -10.741 4.950 -13.501 1.00 0.00 N ATOM 517 CA LEU A 31 -10.000 5.868 -12.644 1.00 0.00 C ATOM 518 C LEU A 31 -10.739 7.192 -12.549 1.00 0.00 C ATOM 519 O LEU A 31 -11.099 7.610 -11.453 1.00 0.00 O ATOM 520 CB LEU A 31 -8.561 6.037 -13.157 1.00 0.00 C ATOM 521 CG LEU A 31 -7.649 6.876 -12.239 1.00 0.00 C ATOM 522 CD1 LEU A 31 -6.190 6.551 -12.576 1.00 0.00 C ATOM 523 CD2 LEU A 31 -7.846 8.393 -12.394 1.00 0.00 C ATOM 0 H LEU A 31 -10.192 4.585 -14.279 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.932 5.456 -11.637 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.116 5.050 -13.286 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.592 6.504 -14.142 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.910 6.618 -11.213 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.530 7.136 -11.936 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.007 5.489 -12.413 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.994 6.797 -13.620 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.172 8.918 -11.718 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.629 8.685 -13.422 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.877 8.653 -12.153 1.00 0.00 H new ATOM 535 N THR A 32 -10.962 7.854 -13.685 1.00 0.00 N ATOM 536 CA THR A 32 -11.608 9.161 -13.710 1.00 0.00 C ATOM 537 C THR A 32 -12.972 9.106 -13.016 1.00 0.00 C ATOM 538 O THR A 32 -13.247 9.902 -12.115 1.00 0.00 O ATOM 539 CB THR A 32 -11.709 9.677 -15.153 1.00 0.00 C ATOM 540 OG1 THR A 32 -12.222 8.682 -16.016 1.00 0.00 O ATOM 541 CG2 THR A 32 -10.333 10.115 -15.661 1.00 0.00 C ATOM 0 H THR A 32 -10.701 7.500 -14.605 1.00 0.00 H new ATOM 0 HA THR A 32 -10.997 9.870 -13.152 1.00 0.00 H new ATOM 0 HB THR A 32 -12.389 10.529 -15.150 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.518 8.032 -16.220 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.422 10.478 -16.685 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.947 10.912 -15.026 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.649 9.267 -15.635 1.00 0.00 H new ATOM 549 N SER A 33 -13.816 8.153 -13.419 1.00 0.00 N ATOM 550 CA SER A 33 -15.146 7.999 -12.847 1.00 0.00 C ATOM 551 C SER A 33 -15.076 7.805 -11.331 1.00 0.00 C ATOM 552 O SER A 33 -15.715 8.540 -10.577 1.00 0.00 O ATOM 553 CB SER A 33 -15.878 6.836 -13.524 1.00 0.00 C ATOM 554 OG SER A 33 -15.943 7.059 -14.917 1.00 0.00 O ATOM 0 H SER A 33 -13.594 7.473 -14.146 1.00 0.00 H new ATOM 0 HA SER A 33 -15.710 8.913 -13.030 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.359 5.899 -13.320 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.883 6.739 -13.114 1.00 0.00 H new ATOM 0 HG SER A 33 -15.104 6.770 -15.334 1.00 0.00 H new ATOM 560 N GLU A 34 -14.306 6.813 -10.874 1.00 0.00 N ATOM 561 CA GLU A 34 -14.266 6.482 -9.460 1.00 0.00 C ATOM 562 C GLU A 34 -13.650 7.628 -8.662 1.00 0.00 C ATOM 563 O GLU A 34 -14.174 7.992 -7.617 1.00 0.00 O ATOM 564 CB GLU A 34 -13.532 5.160 -9.204 1.00 0.00 C ATOM 565 CG GLU A 34 -14.095 4.500 -7.936 1.00 0.00 C ATOM 566 CD GLU A 34 -15.321 3.646 -8.255 1.00 0.00 C ATOM 567 OE1 GLU A 34 -16.433 4.219 -8.256 1.00 0.00 O ATOM 568 OE2 GLU A 34 -15.118 2.441 -8.521 1.00 0.00 O ATOM 0 H GLU A 34 -13.709 6.233 -11.463 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.292 6.342 -9.120 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.652 4.493 -10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.463 5.341 -9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.327 3.880 -7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.363 5.269 -7.211 1.00 0.00 H new ATOM 575 N LYS A 35 -12.553 8.218 -9.150 1.00 0.00 N ATOM 576 CA LYS A 35 -11.966 9.404 -8.544 1.00 0.00 C ATOM 577 C LYS A 35 -13.042 10.474 -8.362 1.00 0.00 C ATOM 578 O LYS A 35 -13.200 11.008 -7.265 1.00 0.00 O ATOM 579 CB LYS A 35 -10.796 9.906 -9.402 1.00 0.00 C ATOM 580 CG LYS A 35 -10.184 11.197 -8.844 1.00 0.00 C ATOM 581 CD LYS A 35 -8.923 11.557 -9.637 1.00 0.00 C ATOM 582 CE LYS A 35 -8.312 12.882 -9.168 1.00 0.00 C ATOM 583 NZ LYS A 35 -9.173 14.034 -9.491 1.00 0.00 N ATOM 0 H LYS A 35 -12.053 7.883 -9.974 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.569 9.160 -7.559 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.028 9.134 -9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.143 10.080 -10.421 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.908 12.010 -8.905 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.938 11.068 -7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.187 10.760 -9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.168 11.625 -10.697 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.147 12.844 -8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.337 13.017 -9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.685 14.915 -9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.380 14.038 -10.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.063 13.963 -8.958 1.00 0.00 H new ATOM 597 N SER A 36 -13.795 10.770 -9.427 1.00 0.00 N ATOM 598 CA SER A 36 -14.882 11.733 -9.350 1.00 0.00 C ATOM 599 C SER A 36 -15.869 11.350 -8.243 1.00 0.00 C ATOM 600 O SER A 36 -16.166 12.179 -7.387 1.00 0.00 O ATOM 601 CB SER A 36 -15.573 11.893 -10.708 1.00 0.00 C ATOM 602 OG SER A 36 -14.624 12.261 -11.689 1.00 0.00 O ATOM 0 H SER A 36 -13.666 10.353 -10.349 1.00 0.00 H new ATOM 0 HA SER A 36 -14.463 12.705 -9.089 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.059 10.959 -10.991 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.354 12.651 -10.642 1.00 0.00 H new ATOM 0 HG SER A 36 -14.081 11.481 -11.928 1.00 0.00 H new ATOM 608 N LYS A 37 -16.367 10.108 -8.235 1.00 0.00 N ATOM 609 CA LYS A 37 -17.269 9.625 -7.189 1.00 0.00 C ATOM 610 C LYS A 37 -16.683 9.843 -5.790 1.00 0.00 C ATOM 611 O LYS A 37 -17.332 10.453 -4.942 1.00 0.00 O ATOM 612 CB LYS A 37 -17.611 8.143 -7.409 1.00 0.00 C ATOM 613 CG LYS A 37 -18.507 7.888 -8.628 1.00 0.00 C ATOM 614 CD LYS A 37 -19.909 8.521 -8.571 1.00 0.00 C ATOM 615 CE LYS A 37 -20.743 8.094 -7.352 1.00 0.00 C ATOM 616 NZ LYS A 37 -20.494 8.936 -6.168 1.00 0.00 N ATOM 0 H LYS A 37 -16.156 9.414 -8.952 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.188 10.207 -7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.685 7.580 -7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.107 7.758 -6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.996 8.261 -9.516 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.620 6.811 -8.754 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.806 9.606 -8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.452 8.258 -9.479 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.802 8.138 -7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.517 7.056 -7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -21.396 9.146 -5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.867 8.432 -5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.043 9.825 -6.463 1.00 0.00 H new ATOM 630 N ILE A 38 -15.466 9.356 -5.549 1.00 0.00 N ATOM 631 CA ILE A 38 -14.766 9.465 -4.272 1.00 0.00 C ATOM 632 C ILE A 38 -14.710 10.933 -3.841 1.00 0.00 C ATOM 633 O ILE A 38 -15.160 11.280 -2.748 1.00 0.00 O ATOM 634 CB ILE A 38 -13.369 8.815 -4.396 1.00 0.00 C ATOM 635 CG1 ILE A 38 -13.529 7.288 -4.515 1.00 0.00 C ATOM 636 CG2 ILE A 38 -12.454 9.141 -3.204 1.00 0.00 C ATOM 637 CD1 ILE A 38 -12.251 6.570 -4.958 1.00 0.00 C ATOM 0 H ILE A 38 -14.925 8.861 -6.258 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.301 8.926 -3.490 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.896 9.226 -5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.845 6.888 -3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.324 7.069 -5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.487 8.658 -3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.315 10.220 -3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -12.911 8.776 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.439 5.498 -5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.945 6.942 -5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.458 6.758 -4.234 1.00 0.00 H new ATOM 649 N GLU A 39 -14.163 11.800 -4.697 1.00 0.00 N ATOM 650 CA GLU A 39 -14.035 13.219 -4.397 1.00 0.00 C ATOM 651 C GLU A 39 -15.404 13.854 -4.136 1.00 0.00 C ATOM 652 O GLU A 39 -15.559 14.610 -3.179 1.00 0.00 O ATOM 653 CB GLU A 39 -13.283 13.923 -5.531 1.00 0.00 C ATOM 654 CG GLU A 39 -11.808 13.493 -5.539 1.00 0.00 C ATOM 655 CD GLU A 39 -11.015 14.162 -6.658 1.00 0.00 C ATOM 656 OE1 GLU A 39 -11.561 14.248 -7.780 1.00 0.00 O ATOM 657 OE2 GLU A 39 -9.865 14.562 -6.380 1.00 0.00 O ATOM 0 H GLU A 39 -13.799 11.535 -5.612 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.456 13.338 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.745 13.681 -6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.353 15.004 -5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.355 13.739 -4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.748 12.410 -5.652 1.00 0.00 H new ATOM 664 N THR A 40 -16.397 13.541 -4.971 1.00 0.00 N ATOM 665 CA THR A 40 -17.758 14.034 -4.814 1.00 0.00 C ATOM 666 C THR A 40 -18.298 13.646 -3.438 1.00 0.00 C ATOM 667 O THR A 40 -18.756 14.511 -2.697 1.00 0.00 O ATOM 668 CB THR A 40 -18.644 13.515 -5.958 1.00 0.00 C ATOM 669 OG1 THR A 40 -18.143 13.999 -7.185 1.00 0.00 O ATOM 670 CG2 THR A 40 -20.096 13.983 -5.842 1.00 0.00 C ATOM 0 H THR A 40 -16.273 12.933 -5.780 1.00 0.00 H new ATOM 0 HA THR A 40 -17.764 15.123 -4.871 1.00 0.00 H new ATOM 0 HB THR A 40 -18.625 12.427 -5.903 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.376 13.456 -7.462 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.674 13.586 -6.677 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.520 13.625 -4.904 1.00 0.00 H new ATOM 0 HG23 THR A 40 -20.130 15.072 -5.863 1.00 0.00 H new ATOM 678 N GLU A 41 -18.232 12.360 -3.086 1.00 0.00 N ATOM 679 CA GLU A 41 -18.659 11.865 -1.786 1.00 0.00 C ATOM 680 C GLU A 41 -17.942 12.627 -0.671 1.00 0.00 C ATOM 681 O GLU A 41 -18.593 13.228 0.177 1.00 0.00 O ATOM 682 CB GLU A 41 -18.393 10.359 -1.687 1.00 0.00 C ATOM 683 CG GLU A 41 -19.403 9.560 -2.519 1.00 0.00 C ATOM 684 CD GLU A 41 -18.970 8.106 -2.687 1.00 0.00 C ATOM 685 OE1 GLU A 41 -18.494 7.534 -1.682 1.00 0.00 O ATOM 686 OE2 GLU A 41 -19.129 7.596 -3.817 1.00 0.00 O ATOM 0 H GLU A 41 -17.877 11.631 -3.704 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.730 12.030 -1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.382 10.142 -2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.448 10.045 -0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.380 9.596 -2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.514 10.023 -3.500 1.00 0.00 H new ATOM 693 N LEU A 42 -16.609 12.617 -0.678 1.00 0.00 N ATOM 694 CA LEU A 42 -15.805 13.303 0.325 1.00 0.00 C ATOM 695 C LEU A 42 -16.259 14.762 0.489 1.00 0.00 C ATOM 696 O LEU A 42 -16.615 15.192 1.585 1.00 0.00 O ATOM 697 CB LEU A 42 -14.325 13.170 -0.067 1.00 0.00 C ATOM 698 CG LEU A 42 -13.347 13.887 0.878 1.00 0.00 C ATOM 699 CD1 LEU A 42 -13.391 13.291 2.290 1.00 0.00 C ATOM 700 CD2 LEU A 42 -11.926 13.754 0.316 1.00 0.00 C ATOM 0 H LEU A 42 -16.057 12.130 -1.384 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.941 12.844 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.066 12.112 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.192 13.565 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.638 14.935 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.687 13.822 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.398 13.390 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.119 12.236 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.224 14.259 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.661 12.699 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.882 14.209 -0.674 1.00 0.00 H new ATOM 712 N LYS A 43 -16.268 15.528 -0.603 1.00 0.00 N ATOM 713 CA LYS A 43 -16.565 16.953 -0.563 1.00 0.00 C ATOM 714 C LYS A 43 -18.024 17.218 -0.159 1.00 0.00 C ATOM 715 O LYS A 43 -18.315 18.161 0.583 1.00 0.00 O ATOM 716 CB LYS A 43 -16.198 17.569 -1.920 1.00 0.00 C ATOM 717 CG LYS A 43 -16.235 19.102 -1.940 1.00 0.00 C ATOM 718 CD LYS A 43 -15.324 19.720 -0.870 1.00 0.00 C ATOM 719 CE LYS A 43 -15.194 21.228 -1.081 1.00 0.00 C ATOM 720 NZ LYS A 43 -14.356 21.848 -0.039 1.00 0.00 N ATOM 0 H LYS A 43 -16.069 15.174 -1.539 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.963 17.434 0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.198 17.236 -2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.884 17.189 -2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.930 19.458 -2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -17.259 19.441 -1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.730 19.520 0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.339 19.255 -0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.761 21.423 -2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.184 21.684 -1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.288 22.871 -0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.783 21.682 0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.404 21.429 -0.064 1.00 0.00 H new ATOM 734 N ASN A 44 -18.949 16.379 -0.630 1.00 0.00 N ATOM 735 CA ASN A 44 -20.345 16.394 -0.211 1.00 0.00 C ATOM 736 C ASN A 44 -20.444 16.189 1.301 1.00 0.00 C ATOM 737 O ASN A 44 -21.133 16.937 1.990 1.00 0.00 O ATOM 738 CB ASN A 44 -21.115 15.310 -0.975 1.00 0.00 C ATOM 739 CG ASN A 44 -22.495 15.055 -0.385 1.00 0.00 C ATOM 740 OD1 ASN A 44 -23.464 15.721 -0.731 1.00 0.00 O ATOM 741 ND2 ASN A 44 -22.604 14.069 0.502 1.00 0.00 N ATOM 0 H ASN A 44 -18.742 15.660 -1.324 1.00 0.00 H new ATOM 0 HA ASN A 44 -20.790 17.362 -0.442 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -21.218 15.608 -2.018 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -20.541 14.384 -0.963 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -23.512 13.851 0.913 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -21.780 13.532 0.771 1.00 0.00 H new ATOM 748 N LYS A 45 -19.754 15.176 1.828 1.00 0.00 N ATOM 749 CA LYS A 45 -19.762 14.901 3.256 1.00 0.00 C ATOM 750 C LYS A 45 -19.108 16.049 4.033 1.00 0.00 C ATOM 751 O LYS A 45 -19.550 16.353 5.139 1.00 0.00 O ATOM 752 CB LYS A 45 -19.124 13.534 3.544 1.00 0.00 C ATOM 753 CG LYS A 45 -19.913 12.363 2.922 1.00 0.00 C ATOM 754 CD LYS A 45 -21.264 12.052 3.585 1.00 0.00 C ATOM 755 CE LYS A 45 -21.081 11.349 4.931 1.00 0.00 C ATOM 756 NZ LYS A 45 -22.378 11.039 5.558 1.00 0.00 N ATOM 0 H LYS A 45 -19.182 14.533 1.280 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.793 14.843 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.105 13.525 3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -19.057 13.389 4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.087 12.583 1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.293 11.467 2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -21.821 12.978 3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.859 11.423 2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -20.515 10.428 4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -20.496 11.983 5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.218 10.563 6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.907 11.921 5.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -22.926 10.414 4.932 1.00 0.00 H new ATOM 770 N MET A 46 -18.097 16.722 3.465 1.00 0.00 N ATOM 771 CA MET A 46 -17.580 17.946 4.067 1.00 0.00 C ATOM 772 C MET A 46 -18.664 19.029 4.125 1.00 0.00 C ATOM 773 O MET A 46 -18.879 19.613 5.185 1.00 0.00 O ATOM 774 CB MET A 46 -16.340 18.460 3.322 1.00 0.00 C ATOM 775 CG MET A 46 -15.100 17.594 3.558 1.00 0.00 C ATOM 776 SD MET A 46 -13.644 18.156 2.637 1.00 0.00 S ATOM 777 CE MET A 46 -12.412 16.995 3.260 1.00 0.00 C ATOM 0 H MET A 46 -17.631 16.440 2.603 1.00 0.00 H new ATOM 0 HA MET A 46 -17.279 17.706 5.087 1.00 0.00 H new ATOM 0 HB2 MET A 46 -16.554 18.496 2.254 1.00 0.00 H new ATOM 0 HB3 MET A 46 -16.129 19.481 3.640 1.00 0.00 H new ATOM 0 HG2 MET A 46 -14.867 17.588 4.623 1.00 0.00 H new ATOM 0 HG3 MET A 46 -15.325 16.566 3.275 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.433 17.474 3.269 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.677 16.692 4.273 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.380 16.117 2.615 1.00 0.00 H new