USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 638 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 8 ASN :FLIP amide:sc= -3.03! C(o=-5.3!,f=-3!) USER MOD Single : A 13 LYS NZ :NH3+ -139:sc= 1.02 (180deg=-0.472) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 160:sc= -0.0645 (180deg=-0.524) USER MOD Single : A 25 SER OG : rot -129:sc= 0.00967 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 144:sc= 0.105 (180deg=-1.51!) USER MOD Single : A 32 MET CE :methyl -154:sc= -0.131 (180deg=-1.2) USER MOD Single : A 34 MET CE :methyl 159:sc= 0 (180deg=-0.197) USER MOD Single : A 40 THR OG1 : rot 70:sc= 0.771 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.131 USER MOD Single : A 64 SER OG : rot 31:sc= 1.13 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= -0.0334 (180deg=-0.196) USER MOD ----------------------------------------------------------------- ATOM 56 N GLY A 4 7.541 2.934 9.664 1.00 35.33 N ATOM 57 CA GLY A 4 6.793 2.397 8.549 1.00 11.11 C ATOM 58 C GLY A 4 7.350 1.099 8.014 1.00 64.44 C ATOM 59 O GLY A 4 8.566 0.906 7.951 1.00 55.43 O ATOM 0 HA2 GLY A 4 5.760 2.239 8.858 1.00 11.11 H new ATOM 0 HA3 GLY A 4 6.776 3.134 7.746 1.00 11.11 H new ATOM 63 N ILE A 5 6.450 0.208 7.639 1.00 62.50 N ATOM 64 CA ILE A 5 6.817 -1.027 6.977 1.00 54.14 C ATOM 65 C ILE A 5 6.430 -0.921 5.515 1.00 61.20 C ATOM 66 O ILE A 5 5.813 0.063 5.110 1.00 52.22 O ATOM 67 CB ILE A 5 6.119 -2.256 7.600 1.00 64.41 C ATOM 68 CG1 ILE A 5 4.594 -2.103 7.533 1.00 65.02 C ATOM 69 CG2 ILE A 5 6.579 -2.456 9.038 1.00 51.04 C ATOM 70 CD1 ILE A 5 3.839 -3.325 8.014 1.00 41.05 C ATOM 0 H ILE A 5 5.447 0.321 7.785 1.00 62.50 H new ATOM 0 HA ILE A 5 7.891 -1.169 7.093 1.00 54.14 H new ATOM 0 HB ILE A 5 6.397 -3.139 7.025 1.00 64.41 H new ATOM 0 HG12 ILE A 5 4.297 -1.243 8.134 1.00 65.02 H new ATOM 0 HG13 ILE A 5 4.304 -1.889 6.504 1.00 65.02 H new ATOM 0 HG21 ILE A 5 6.078 -3.326 9.463 1.00 51.04 H new ATOM 0 HG22 ILE A 5 7.657 -2.613 9.056 1.00 51.04 H new ATOM 0 HG23 ILE A 5 6.331 -1.572 9.626 1.00 51.04 H new ATOM 0 HD11 ILE A 5 2.767 -3.144 7.938 1.00 41.05 H new ATOM 0 HD12 ILE A 5 4.107 -4.184 7.398 1.00 41.05 H new ATOM 0 HD13 ILE A 5 4.100 -3.528 9.053 1.00 41.05 H new ATOM 82 N GLY A 6 6.782 -1.911 4.726 1.00 15.23 N ATOM 83 CA GLY A 6 6.405 -1.888 3.338 1.00 20.25 C ATOM 84 C GLY A 6 4.977 -2.347 3.150 1.00 55.54 C ATOM 85 O GLY A 6 4.486 -3.191 3.900 1.00 74.50 O ATOM 0 H GLY A 6 7.319 -2.727 5.018 1.00 15.23 H new ATOM 0 HA2 GLY A 6 6.520 -0.878 2.944 1.00 20.25 H new ATOM 0 HA3 GLY A 6 7.074 -2.531 2.766 1.00 20.25 H new ATOM 89 N LEU A 7 4.310 -1.793 2.153 1.00 62.21 N ATOM 90 CA LEU A 7 2.926 -2.146 1.850 1.00 74.43 C ATOM 91 C LEU A 7 2.811 -3.623 1.456 1.00 63.23 C ATOM 92 O LEU A 7 1.734 -4.215 1.499 1.00 53.24 O ATOM 93 CB LEU A 7 2.412 -1.243 0.728 1.00 33.55 C ATOM 94 CG LEU A 7 0.944 -1.420 0.352 1.00 1.11 C ATOM 95 CD1 LEU A 7 0.052 -1.196 1.561 1.00 2.21 C ATOM 96 CD2 LEU A 7 0.577 -0.457 -0.762 1.00 73.41 C ATOM 0 H LEU A 7 4.706 -1.089 1.531 1.00 62.21 H new ATOM 0 HA LEU A 7 2.316 -1.997 2.741 1.00 74.43 H new ATOM 0 HB2 LEU A 7 2.570 -0.205 1.022 1.00 33.55 H new ATOM 0 HB3 LEU A 7 3.019 -1.418 -0.160 1.00 33.55 H new ATOM 0 HG LEU A 7 0.793 -2.441 0.002 1.00 1.11 H new ATOM 0 HD11 LEU A 7 -0.991 -1.327 1.273 1.00 2.21 H new ATOM 0 HD12 LEU A 7 0.306 -1.916 2.339 1.00 2.21 H new ATOM 0 HD13 LEU A 7 0.200 -0.185 1.940 1.00 2.21 H new ATOM 0 HD21 LEU A 7 -0.472 -0.589 -1.026 1.00 73.41 H new ATOM 0 HD22 LEU A 7 0.741 0.567 -0.427 1.00 73.41 H new ATOM 0 HD23 LEU A 7 1.198 -0.657 -1.635 1.00 73.41 H new ATOM 108 N ASN A 8 3.942 -4.208 1.097 1.00 14.11 N ATOM 109 CA ASN A 8 4.013 -5.616 0.719 1.00 70.54 C ATOM 110 C ASN A 8 3.928 -6.516 1.951 1.00 15.32 C ATOM 111 O ASN A 8 3.778 -7.732 1.838 1.00 32.04 O ATOM 112 CB ASN A 8 5.326 -5.889 -0.024 1.00 22.25 C ATOM 113 CG ASN A 8 6.546 -5.771 0.879 1.00 54.34 C ATOM 114 OD1 ASN A 8 7.061 -4.560 1.029 1.00 10.34 O flip ATOM 115 ND2 ASN A 8 7.020 -6.760 1.437 1.00 11.13 N flip ATOM 0 H ASN A 8 4.838 -3.723 1.058 1.00 14.11 H new ATOM 0 HA ASN A 8 3.168 -5.838 0.067 1.00 70.54 H new ATOM 0 HB2 ASN A 8 5.294 -6.889 -0.456 1.00 22.25 H new ATOM 0 HB3 ASN A 8 5.423 -5.187 -0.853 1.00 22.25 H new ATOM 0 HD21 ASN A 8 6.596 -7.677 1.297 1.00 11.13 H new ATOM 0 HD22 ASN A 8 7.837 -6.663 2.039 1.00 11.13 H new ATOM 122 N GLU A 9 4.036 -5.908 3.125 1.00 53.03 N ATOM 123 CA GLU A 9 4.039 -6.641 4.374 1.00 43.20 C ATOM 124 C GLU A 9 2.677 -6.551 5.057 1.00 13.43 C ATOM 125 O GLU A 9 2.517 -6.963 6.208 1.00 11.32 O ATOM 126 CB GLU A 9 5.136 -6.079 5.276 1.00 22.43 C ATOM 127 CG GLU A 9 6.524 -6.188 4.666 1.00 64.15 C ATOM 128 CD GLU A 9 7.588 -5.470 5.466 1.00 5.11 C ATOM 129 OE1 GLU A 9 8.145 -6.076 6.403 1.00 73.43 O ATOM 130 OE2 GLU A 9 7.893 -4.305 5.144 1.00 34.24 O ATOM 0 H GLU A 9 4.123 -4.898 3.233 1.00 53.03 H new ATOM 0 HA GLU A 9 4.238 -7.694 4.176 1.00 43.20 H new ATOM 0 HB2 GLU A 9 4.921 -5.032 5.490 1.00 22.43 H new ATOM 0 HB3 GLU A 9 5.122 -6.609 6.229 1.00 22.43 H new ATOM 0 HG2 GLU A 9 6.793 -7.241 4.579 1.00 64.15 H new ATOM 0 HG3 GLU A 9 6.502 -5.780 3.655 1.00 64.15 H new ATOM 137 N VAL A 10 1.698 -6.016 4.336 1.00 22.24 N ATOM 138 CA VAL A 10 0.343 -5.878 4.853 1.00 1.13 C ATOM 139 C VAL A 10 -0.550 -6.961 4.247 1.00 24.05 C ATOM 140 O VAL A 10 -0.215 -7.538 3.211 1.00 61.12 O ATOM 141 CB VAL A 10 -0.242 -4.478 4.533 1.00 43.24 C ATOM 142 CG1 VAL A 10 -1.538 -4.230 5.289 1.00 42.35 C ATOM 143 CG2 VAL A 10 0.772 -3.387 4.848 1.00 72.54 C ATOM 0 H VAL A 10 1.820 -5.669 3.385 1.00 22.24 H new ATOM 0 HA VAL A 10 0.378 -5.991 5.937 1.00 1.13 H new ATOM 0 HB VAL A 10 -0.466 -4.451 3.467 1.00 43.24 H new ATOM 0 HG11 VAL A 10 -1.920 -3.240 5.041 1.00 42.35 H new ATOM 0 HG12 VAL A 10 -2.273 -4.984 5.007 1.00 42.35 H new ATOM 0 HG13 VAL A 10 -1.351 -4.289 6.361 1.00 42.35 H new ATOM 0 HG21 VAL A 10 0.342 -2.413 4.616 1.00 72.54 H new ATOM 0 HG22 VAL A 10 1.032 -3.427 5.906 1.00 72.54 H new ATOM 0 HG23 VAL A 10 1.669 -3.540 4.248 1.00 72.54 H new ATOM 153 N GLU A 11 -1.678 -7.238 4.888 1.00 32.35 N ATOM 154 CA GLU A 11 -2.577 -8.284 4.425 1.00 55.24 C ATOM 155 C GLU A 11 -3.887 -7.670 3.915 1.00 21.03 C ATOM 156 O GLU A 11 -4.033 -6.447 3.877 1.00 14.24 O ATOM 157 CB GLU A 11 -2.820 -9.306 5.547 1.00 71.11 C ATOM 158 CG GLU A 11 -3.441 -10.614 5.075 1.00 13.33 C ATOM 159 CD GLU A 11 -3.075 -11.788 5.958 1.00 73.33 C ATOM 160 OE1 GLU A 11 -3.723 -11.985 7.008 1.00 24.44 O ATOM 161 OE2 GLU A 11 -2.134 -12.526 5.595 1.00 44.32 O ATOM 0 H GLU A 11 -1.991 -6.753 5.729 1.00 32.35 H new ATOM 0 HA GLU A 11 -2.117 -8.814 3.590 1.00 55.24 H new ATOM 0 HB2 GLU A 11 -1.871 -9.523 6.037 1.00 71.11 H new ATOM 0 HB3 GLU A 11 -3.471 -8.857 6.297 1.00 71.11 H new ATOM 0 HG2 GLU A 11 -4.526 -10.508 5.050 1.00 13.33 H new ATOM 0 HG3 GLU A 11 -3.117 -10.818 4.054 1.00 13.33 H new ATOM 168 N ILE A 12 -4.826 -8.524 3.521 1.00 73.02 N ATOM 169 CA ILE A 12 -6.047 -8.091 2.853 1.00 52.15 C ATOM 170 C ILE A 12 -6.960 -7.273 3.765 1.00 61.13 C ATOM 171 O ILE A 12 -6.966 -7.454 4.986 1.00 20.14 O ATOM 172 CB ILE A 12 -6.842 -9.297 2.308 1.00 42.44 C ATOM 173 CG1 ILE A 12 -7.286 -10.216 3.451 1.00 60.13 C ATOM 174 CG2 ILE A 12 -5.999 -10.064 1.302 1.00 54.03 C ATOM 175 CD1 ILE A 12 -8.150 -11.377 3.004 1.00 21.52 C ATOM 0 H ILE A 12 -4.762 -9.533 3.656 1.00 73.02 H new ATOM 0 HA ILE A 12 -5.725 -7.454 2.029 1.00 52.15 H new ATOM 0 HB ILE A 12 -7.736 -8.926 1.807 1.00 42.44 H new ATOM 0 HG12 ILE A 12 -6.402 -10.607 3.955 1.00 60.13 H new ATOM 0 HG13 ILE A 12 -7.837 -9.627 4.185 1.00 60.13 H new ATOM 0 HG21 ILE A 12 -6.568 -10.913 0.923 1.00 54.03 H new ATOM 0 HG22 ILE A 12 -5.733 -9.407 0.474 1.00 54.03 H new ATOM 0 HG23 ILE A 12 -5.091 -10.423 1.787 1.00 54.03 H new ATOM 0 HD11 ILE A 12 -8.424 -11.981 3.869 1.00 21.52 H new ATOM 0 HD12 ILE A 12 -9.053 -10.996 2.527 1.00 21.52 H new ATOM 0 HD13 ILE A 12 -7.596 -11.991 2.294 1.00 21.52 H new ATOM 187 N LYS A 13 -7.714 -6.368 3.144 1.00 51.41 N ATOM 188 CA LYS A 13 -8.739 -5.567 3.815 1.00 12.42 C ATOM 189 C LYS A 13 -8.203 -4.861 5.055 1.00 42.04 C ATOM 190 O LYS A 13 -8.805 -4.906 6.125 1.00 51.13 O ATOM 191 CB LYS A 13 -9.960 -6.431 4.141 1.00 0.23 C ATOM 192 CG LYS A 13 -10.649 -6.962 2.892 1.00 44.41 C ATOM 193 CD LYS A 13 -11.928 -7.706 3.226 1.00 60.34 C ATOM 194 CE LYS A 13 -12.613 -8.227 1.972 1.00 42.01 C ATOM 195 NZ LYS A 13 -12.989 -7.132 1.038 1.00 23.21 N ATOM 0 H LYS A 13 -7.630 -6.167 2.148 1.00 51.41 H new ATOM 0 HA LYS A 13 -9.047 -4.781 3.126 1.00 12.42 H new ATOM 0 HB2 LYS A 13 -9.651 -7.269 4.766 1.00 0.23 H new ATOM 0 HB3 LYS A 13 -10.671 -5.844 4.723 1.00 0.23 H new ATOM 0 HG2 LYS A 13 -10.876 -6.133 2.222 1.00 44.41 H new ATOM 0 HG3 LYS A 13 -9.971 -7.627 2.358 1.00 44.41 H new ATOM 0 HD2 LYS A 13 -11.702 -8.539 3.892 1.00 60.34 H new ATOM 0 HD3 LYS A 13 -12.606 -7.043 3.764 1.00 60.34 H new ATOM 0 HE2 LYS A 13 -11.950 -8.925 1.462 1.00 42.01 H new ATOM 0 HE3 LYS A 13 -13.506 -8.784 2.254 1.00 42.01 H new ATOM 0 HZ1 LYS A 13 -13.932 -7.322 0.642 1.00 23.21 H new ATOM 0 HZ2 LYS A 13 -13.005 -6.228 1.552 1.00 23.21 H new ATOM 0 HZ3 LYS A 13 -12.294 -7.080 0.267 1.00 23.21 H new ATOM 209 N SER A 14 -7.069 -4.198 4.893 1.00 24.42 N ATOM 210 CA SER A 14 -6.496 -3.392 5.953 1.00 64.42 C ATOM 211 C SER A 14 -6.212 -1.987 5.431 1.00 12.05 C ATOM 212 O SER A 14 -6.016 -1.795 4.228 1.00 43.13 O ATOM 213 CB SER A 14 -5.212 -4.036 6.471 1.00 63.30 C ATOM 214 OG SER A 14 -5.445 -5.371 6.891 1.00 22.33 O ATOM 0 H SER A 14 -6.526 -4.204 4.030 1.00 24.42 H new ATOM 0 HA SER A 14 -7.206 -3.328 6.778 1.00 64.42 H new ATOM 0 HB2 SER A 14 -4.454 -4.025 5.688 1.00 63.30 H new ATOM 0 HB3 SER A 14 -4.819 -3.453 7.304 1.00 63.30 H new ATOM 0 HG SER A 14 -4.608 -5.762 7.217 1.00 22.33 H new ATOM 220 N LYS A 15 -6.208 -1.011 6.330 1.00 12.02 N ATOM 221 CA LYS A 15 -5.961 0.370 5.953 1.00 23.15 C ATOM 222 C LYS A 15 -4.640 0.860 6.516 1.00 15.15 C ATOM 223 O LYS A 15 -4.363 0.723 7.713 1.00 2.03 O ATOM 224 CB LYS A 15 -7.089 1.289 6.423 1.00 23.42 C ATOM 225 CG LYS A 15 -8.382 1.105 5.654 1.00 31.32 C ATOM 226 CD LYS A 15 -9.382 2.198 5.977 1.00 20.44 C ATOM 227 CE LYS A 15 -10.642 2.061 5.140 1.00 60.25 C ATOM 228 NZ LYS A 15 -11.556 3.215 5.330 1.00 51.43 N ATOM 0 H LYS A 15 -6.374 -1.153 7.326 1.00 12.02 H new ATOM 0 HA LYS A 15 -5.918 0.401 4.864 1.00 23.15 H new ATOM 0 HB2 LYS A 15 -7.277 1.108 7.481 1.00 23.42 H new ATOM 0 HB3 LYS A 15 -6.765 2.325 6.329 1.00 23.42 H new ATOM 0 HG2 LYS A 15 -8.173 1.106 4.584 1.00 31.32 H new ATOM 0 HG3 LYS A 15 -8.814 0.133 5.894 1.00 31.32 H new ATOM 0 HD2 LYS A 15 -9.640 2.156 7.035 1.00 20.44 H new ATOM 0 HD3 LYS A 15 -8.928 3.173 5.798 1.00 20.44 H new ATOM 0 HE2 LYS A 15 -10.372 1.980 4.087 1.00 60.25 H new ATOM 0 HE3 LYS A 15 -11.159 1.140 5.408 1.00 60.25 H new ATOM 0 HZ1 LYS A 15 -12.405 3.086 4.743 1.00 51.43 H new ATOM 0 HZ2 LYS A 15 -11.833 3.277 6.330 1.00 51.43 H new ATOM 0 HZ3 LYS A 15 -11.071 4.092 5.050 1.00 51.43 H new ATOM 242 N VAL A 16 -3.835 1.430 5.640 1.00 23.42 N ATOM 243 CA VAL A 16 -2.544 1.979 6.013 1.00 23.51 C ATOM 244 C VAL A 16 -2.334 3.313 5.322 1.00 25.45 C ATOM 245 O VAL A 16 -2.897 3.570 4.256 1.00 63.21 O ATOM 246 CB VAL A 16 -1.383 1.024 5.650 1.00 33.44 C ATOM 247 CG1 VAL A 16 -1.388 -0.206 6.547 1.00 65.32 C ATOM 248 CG2 VAL A 16 -1.474 0.614 4.189 1.00 11.12 C ATOM 0 H VAL A 16 -4.057 1.526 4.649 1.00 23.42 H new ATOM 0 HA VAL A 16 -2.544 2.112 7.095 1.00 23.51 H new ATOM 0 HB VAL A 16 -0.444 1.555 5.808 1.00 33.44 H new ATOM 0 HG11 VAL A 16 -0.562 -0.861 6.271 1.00 65.32 H new ATOM 0 HG12 VAL A 16 -1.275 0.101 7.587 1.00 65.32 H new ATOM 0 HG13 VAL A 16 -2.330 -0.740 6.427 1.00 65.32 H new ATOM 0 HG21 VAL A 16 -0.650 -0.058 3.948 1.00 11.12 H new ATOM 0 HG22 VAL A 16 -2.422 0.105 4.012 1.00 11.12 H new ATOM 0 HG23 VAL A 16 -1.415 1.501 3.558 1.00 11.12 H new ATOM 258 N LYS A 17 -1.545 4.165 5.937 1.00 1.21 N ATOM 259 CA LYS A 17 -1.278 5.477 5.387 1.00 34.24 C ATOM 260 C LYS A 17 0.121 5.530 4.813 1.00 74.42 C ATOM 261 O LYS A 17 1.062 4.972 5.378 1.00 23.22 O ATOM 262 CB LYS A 17 -1.475 6.539 6.466 1.00 10.21 C ATOM 263 CG LYS A 17 -1.143 7.965 6.049 1.00 14.22 C ATOM 264 CD LYS A 17 0.276 8.348 6.437 1.00 13.35 C ATOM 265 CE LYS A 17 0.527 9.834 6.247 1.00 64.34 C ATOM 266 NZ LYS A 17 -0.390 10.665 7.074 1.00 72.55 N ATOM 0 H LYS A 17 -1.075 3.973 6.822 1.00 1.21 H new ATOM 0 HA LYS A 17 -1.978 5.678 4.576 1.00 34.24 H new ATOM 0 HB2 LYS A 17 -2.513 6.508 6.797 1.00 10.21 H new ATOM 0 HB3 LYS A 17 -0.858 6.277 7.326 1.00 10.21 H new ATOM 0 HG2 LYS A 17 -1.266 8.067 4.971 1.00 14.22 H new ATOM 0 HG3 LYS A 17 -1.847 8.654 6.516 1.00 14.22 H new ATOM 0 HD2 LYS A 17 0.454 8.079 7.478 1.00 13.35 H new ATOM 0 HD3 LYS A 17 0.984 7.779 5.835 1.00 13.35 H new ATOM 0 HE2 LYS A 17 1.560 10.064 6.509 1.00 64.34 H new ATOM 0 HE3 LYS A 17 0.400 10.091 5.195 1.00 64.34 H new ATOM 0 HZ1 LYS A 17 0.012 11.618 7.187 1.00 72.55 H new ATOM 0 HZ2 LYS A 17 -1.315 10.733 6.604 1.00 72.55 H new ATOM 0 HZ3 LYS A 17 -0.508 10.226 8.009 1.00 72.55 H new ATOM 280 N VAL A 18 0.243 6.204 3.689 1.00 44.41 N ATOM 281 CA VAL A 18 1.519 6.317 3.005 1.00 30.40 C ATOM 282 C VAL A 18 2.397 7.347 3.698 1.00 34.32 C ATOM 283 O VAL A 18 2.254 8.553 3.475 1.00 73.11 O ATOM 284 CB VAL A 18 1.351 6.700 1.517 1.00 74.50 C ATOM 285 CG1 VAL A 18 2.704 6.768 0.820 1.00 22.10 C ATOM 286 CG2 VAL A 18 0.438 5.711 0.809 1.00 20.03 C ATOM 0 H VAL A 18 -0.528 6.685 3.226 1.00 44.41 H new ATOM 0 HA VAL A 18 1.993 5.337 3.047 1.00 30.40 H new ATOM 0 HB VAL A 18 0.892 7.688 1.471 1.00 74.50 H new ATOM 0 HG11 VAL A 18 2.561 7.039 -0.226 1.00 22.10 H new ATOM 0 HG12 VAL A 18 3.327 7.518 1.307 1.00 22.10 H new ATOM 0 HG13 VAL A 18 3.193 5.796 0.879 1.00 22.10 H new ATOM 0 HG21 VAL A 18 0.332 5.998 -0.237 1.00 20.03 H new ATOM 0 HG22 VAL A 18 0.868 4.711 0.869 1.00 20.03 H new ATOM 0 HG23 VAL A 18 -0.542 5.714 1.287 1.00 20.03 H new ATOM 296 N ILE A 19 3.255 6.864 4.585 1.00 51.31 N ATOM 297 CA ILE A 19 4.225 7.713 5.255 1.00 12.43 C ATOM 298 C ILE A 19 5.191 8.298 4.241 1.00 4.21 C ATOM 299 O ILE A 19 5.346 9.516 4.136 1.00 13.45 O ATOM 300 CB ILE A 19 5.050 6.936 6.298 1.00 5.21 C ATOM 301 CG1 ILE A 19 4.147 6.090 7.193 1.00 63.31 C ATOM 302 CG2 ILE A 19 5.877 7.901 7.138 1.00 13.42 C ATOM 303 CD1 ILE A 19 4.903 5.337 8.267 1.00 42.43 C ATOM 0 H ILE A 19 3.298 5.882 4.858 1.00 51.31 H new ATOM 0 HA ILE A 19 3.662 8.498 5.760 1.00 12.43 H new ATOM 0 HB ILE A 19 5.723 6.263 5.767 1.00 5.21 H new ATOM 0 HG12 ILE A 19 3.407 6.736 7.665 1.00 63.31 H new ATOM 0 HG13 ILE A 19 3.600 5.377 6.576 1.00 63.31 H new ATOM 0 HG21 ILE A 19 6.456 7.340 7.872 1.00 13.42 H new ATOM 0 HG22 ILE A 19 6.554 8.459 6.491 1.00 13.42 H new ATOM 0 HG23 ILE A 19 5.213 8.596 7.653 1.00 13.42 H new ATOM 0 HD11 ILE A 19 4.202 4.757 8.867 1.00 42.43 H new ATOM 0 HD12 ILE A 19 5.625 4.666 7.801 1.00 42.43 H new ATOM 0 HD13 ILE A 19 5.428 6.046 8.907 1.00 42.43 H new ATOM 315 N GLY A 20 5.833 7.417 3.489 1.00 13.02 N ATOM 316 CA GLY A 20 6.804 7.855 2.524 1.00 11.15 C ATOM 317 C GLY A 20 7.080 6.822 1.457 1.00 30.25 C ATOM 318 O GLY A 20 6.480 5.747 1.435 1.00 51.41 O ATOM 0 H GLY A 20 5.695 6.407 3.534 1.00 13.02 H new ATOM 0 HA2 GLY A 20 6.452 8.772 2.052 1.00 11.15 H new ATOM 0 HA3 GLY A 20 7.735 8.098 3.037 1.00 11.15 H new ATOM 322 N ILE A 21 8.007 7.164 0.588 1.00 2.44 N ATOM 323 CA ILE A 21 8.371 6.346 -0.558 1.00 5.22 C ATOM 324 C ILE A 21 9.888 6.173 -0.564 1.00 24.22 C ATOM 325 O ILE A 21 10.589 6.933 0.107 1.00 55.11 O ATOM 326 CB ILE A 21 7.912 7.002 -1.885 1.00 0.44 C ATOM 327 CG1 ILE A 21 6.459 7.479 -1.775 1.00 25.12 C ATOM 328 CG2 ILE A 21 8.046 6.025 -3.044 1.00 23.44 C ATOM 329 CD1 ILE A 21 5.956 8.217 -3.000 1.00 43.50 C ATOM 0 H ILE A 21 8.540 8.031 0.656 1.00 2.44 H new ATOM 0 HA ILE A 21 7.875 5.379 -0.478 1.00 5.22 H new ATOM 0 HB ILE A 21 8.554 7.862 -2.075 1.00 0.44 H new ATOM 0 HG12 ILE A 21 5.817 6.617 -1.595 1.00 25.12 H new ATOM 0 HG13 ILE A 21 6.367 8.132 -0.907 1.00 25.12 H new ATOM 0 HG21 ILE A 21 7.718 6.506 -3.965 1.00 23.44 H new ATOM 0 HG22 ILE A 21 9.088 5.720 -3.144 1.00 23.44 H new ATOM 0 HG23 ILE A 21 7.428 5.148 -2.853 1.00 23.44 H new ATOM 0 HD11 ILE A 21 4.921 8.521 -2.842 1.00 43.50 H new ATOM 0 HD12 ILE A 21 6.571 9.100 -3.171 1.00 43.50 H new ATOM 0 HD13 ILE A 21 6.013 7.561 -3.869 1.00 43.50 H new ATOM 341 N VAL A 22 10.392 5.178 -1.282 1.00 71.35 N ATOM 342 CA VAL A 22 11.828 4.928 -1.351 1.00 34.53 C ATOM 343 C VAL A 22 12.394 5.540 -2.634 1.00 31.54 C ATOM 344 O VAL A 22 12.402 4.920 -3.697 1.00 63.51 O ATOM 345 CB VAL A 22 12.165 3.422 -1.293 1.00 34.44 C ATOM 346 CG1 VAL A 22 13.672 3.202 -1.324 1.00 11.13 C ATOM 347 CG2 VAL A 22 11.559 2.782 -0.052 1.00 62.10 C ATOM 0 H VAL A 22 9.826 4.528 -1.827 1.00 71.35 H new ATOM 0 HA VAL A 22 12.286 5.395 -0.479 1.00 34.53 H new ATOM 0 HB VAL A 22 11.732 2.946 -2.173 1.00 34.44 H new ATOM 0 HG11 VAL A 22 13.885 2.134 -1.282 1.00 11.13 H new ATOM 0 HG12 VAL A 22 14.082 3.618 -2.245 1.00 11.13 H new ATOM 0 HG13 VAL A 22 14.130 3.697 -0.467 1.00 11.13 H new ATOM 0 HG21 VAL A 22 11.809 1.721 -0.031 1.00 62.10 H new ATOM 0 HG22 VAL A 22 11.958 3.266 0.839 1.00 62.10 H new ATOM 0 HG23 VAL A 22 10.476 2.899 -0.074 1.00 62.10 H new ATOM 357 N PRO A 23 12.832 6.807 -2.543 1.00 44.01 N ATOM 358 CA PRO A 23 13.163 7.632 -3.708 1.00 24.22 C ATOM 359 C PRO A 23 14.297 7.071 -4.559 1.00 50.42 C ATOM 360 O PRO A 23 15.061 6.213 -4.117 1.00 51.13 O ATOM 361 CB PRO A 23 13.580 8.971 -3.092 1.00 13.23 C ATOM 362 CG PRO A 23 13.988 8.642 -1.703 1.00 64.45 C ATOM 363 CD PRO A 23 13.095 7.517 -1.281 1.00 3.10 C ATOM 0 HA PRO A 23 12.317 7.693 -4.392 1.00 24.22 H new ATOM 0 HB2 PRO A 23 14.401 9.423 -3.648 1.00 13.23 H new ATOM 0 HB3 PRO A 23 12.756 9.685 -3.103 1.00 13.23 H new ATOM 0 HG2 PRO A 23 15.037 8.348 -1.661 1.00 64.45 H new ATOM 0 HG3 PRO A 23 13.872 9.503 -1.045 1.00 64.45 H new ATOM 0 HD2 PRO A 23 13.579 6.871 -0.549 1.00 3.10 H new ATOM 0 HD3 PRO A 23 12.175 7.882 -0.825 1.00 3.10 H new ATOM 371 N GLU A 24 14.378 7.576 -5.789 1.00 11.33 N ATOM 372 CA GLU A 24 15.423 7.212 -6.749 1.00 64.22 C ATOM 373 C GLU A 24 15.333 5.742 -7.173 1.00 5.13 C ATOM 374 O GLU A 24 16.179 5.248 -7.917 1.00 24.12 O ATOM 375 CB GLU A 24 16.806 7.517 -6.167 1.00 21.10 C ATOM 376 CG GLU A 24 17.879 7.734 -7.219 1.00 63.20 C ATOM 377 CD GLU A 24 19.233 8.015 -6.611 1.00 75.14 C ATOM 378 OE1 GLU A 24 19.484 9.171 -6.213 1.00 70.24 O ATOM 379 OE2 GLU A 24 20.059 7.084 -6.532 1.00 10.21 O ATOM 0 H GLU A 24 13.712 8.258 -6.153 1.00 11.33 H new ATOM 0 HA GLU A 24 15.268 7.815 -7.644 1.00 64.22 H new ATOM 0 HB2 GLU A 24 16.738 8.407 -5.541 1.00 21.10 H new ATOM 0 HB3 GLU A 24 17.107 6.694 -5.519 1.00 21.10 H new ATOM 0 HG2 GLU A 24 17.945 6.851 -7.854 1.00 63.20 H new ATOM 0 HG3 GLU A 24 17.592 8.567 -7.861 1.00 63.20 H new ATOM 386 N SER A 25 14.291 5.053 -6.726 1.00 1.34 N ATOM 387 CA SER A 25 14.086 3.660 -7.075 1.00 64.22 C ATOM 388 C SER A 25 13.540 3.513 -8.492 1.00 44.53 C ATOM 389 O SER A 25 13.384 2.399 -8.993 1.00 52.40 O ATOM 390 CB SER A 25 13.114 3.035 -6.083 1.00 41.45 C ATOM 391 OG SER A 25 13.793 2.407 -5.012 1.00 24.41 O ATOM 0 H SER A 25 13.572 5.443 -6.117 1.00 1.34 H new ATOM 0 HA SER A 25 15.048 3.149 -7.034 1.00 64.22 H new ATOM 0 HB2 SER A 25 12.449 3.804 -5.691 1.00 41.45 H new ATOM 0 HB3 SER A 25 12.489 2.304 -6.597 1.00 41.45 H new ATOM 0 HG SER A 25 13.456 1.494 -4.901 1.00 24.41 H new ATOM 397 N LYS A 26 13.254 4.649 -9.125 1.00 71.14 N ATOM 398 CA LYS A 26 12.606 4.702 -10.440 1.00 4.45 C ATOM 399 C LYS A 26 11.136 4.291 -10.342 1.00 4.14 C ATOM 400 O LYS A 26 10.266 4.962 -10.894 1.00 13.23 O ATOM 401 CB LYS A 26 13.339 3.854 -11.488 1.00 22.02 C ATOM 402 CG LYS A 26 12.704 3.939 -12.867 1.00 22.54 C ATOM 403 CD LYS A 26 13.497 3.175 -13.913 1.00 22.34 C ATOM 404 CE LYS A 26 12.820 3.253 -15.271 1.00 63.33 C ATOM 405 NZ LYS A 26 13.605 2.575 -16.332 1.00 15.21 N ATOM 0 H LYS A 26 13.466 5.569 -8.738 1.00 71.14 H new ATOM 0 HA LYS A 26 12.656 5.738 -10.775 1.00 4.45 H new ATOM 0 HB2 LYS A 26 14.377 4.180 -11.551 1.00 22.02 H new ATOM 0 HB3 LYS A 26 13.351 2.814 -11.163 1.00 22.02 H new ATOM 0 HG2 LYS A 26 11.689 3.543 -12.823 1.00 22.54 H new ATOM 0 HG3 LYS A 26 12.626 4.985 -13.165 1.00 22.54 H new ATOM 0 HD2 LYS A 26 14.505 3.584 -13.981 1.00 22.34 H new ATOM 0 HD3 LYS A 26 13.595 2.132 -13.611 1.00 22.34 H new ATOM 0 HE2 LYS A 26 11.831 2.799 -15.208 1.00 63.33 H new ATOM 0 HE3 LYS A 26 12.674 4.299 -15.542 1.00 63.33 H new ATOM 0 HZ1 LYS A 26 13.103 2.655 -17.240 1.00 15.21 H new ATOM 0 HZ2 LYS A 26 14.540 3.024 -16.412 1.00 15.21 H new ATOM 0 HZ3 LYS A 26 13.723 1.571 -16.089 1.00 15.21 H new ATOM 419 N VAL A 27 10.853 3.204 -9.628 1.00 5.44 N ATOM 420 CA VAL A 27 9.473 2.813 -9.361 1.00 74.20 C ATOM 421 C VAL A 27 8.806 3.845 -8.456 1.00 64.21 C ATOM 422 O VAL A 27 7.585 3.905 -8.357 1.00 72.33 O ATOM 423 CB VAL A 27 9.375 1.409 -8.721 1.00 31.21 C ATOM 424 CG1 VAL A 27 9.909 0.348 -9.670 1.00 2.31 C ATOM 425 CG2 VAL A 27 10.120 1.355 -7.397 1.00 74.04 C ATOM 0 H VAL A 27 11.556 2.583 -9.227 1.00 5.44 H new ATOM 0 HA VAL A 27 8.955 2.771 -10.319 1.00 74.20 H new ATOM 0 HB VAL A 27 8.322 1.206 -8.526 1.00 31.21 H new ATOM 0 HG11 VAL A 27 9.831 -0.633 -9.200 1.00 2.31 H new ATOM 0 HG12 VAL A 27 9.326 0.357 -10.591 1.00 2.31 H new ATOM 0 HG13 VAL A 27 10.954 0.558 -9.900 1.00 2.31 H new ATOM 0 HG21 VAL A 27 10.033 0.355 -6.971 1.00 74.04 H new ATOM 0 HG22 VAL A 27 11.172 1.589 -7.562 1.00 74.04 H new ATOM 0 HG23 VAL A 27 9.690 2.082 -6.708 1.00 74.04 H new ATOM 435 N ARG A 28 9.631 4.667 -7.813 1.00 15.21 N ATOM 436 CA ARG A 28 9.155 5.812 -7.049 1.00 44.22 C ATOM 437 C ARG A 28 8.347 6.729 -7.971 1.00 1.33 C ATOM 438 O ARG A 28 7.324 7.289 -7.577 1.00 75.21 O ATOM 439 CB ARG A 28 10.364 6.546 -6.444 1.00 1.43 C ATOM 440 CG ARG A 28 10.034 7.591 -5.382 1.00 32.32 C ATOM 441 CD ARG A 28 9.606 8.917 -5.989 1.00 1.34 C ATOM 442 NE ARG A 28 9.545 9.984 -4.990 1.00 53.55 N ATOM 443 CZ ARG A 28 9.141 11.226 -5.252 1.00 54.22 C ATOM 444 NH1 ARG A 28 8.754 11.557 -6.480 1.00 43.31 N ATOM 445 NH2 ARG A 28 9.144 12.136 -4.290 1.00 41.12 N ATOM 0 H ARG A 28 10.645 4.557 -7.808 1.00 15.21 H new ATOM 0 HA ARG A 28 8.506 5.490 -6.235 1.00 44.22 H new ATOM 0 HB2 ARG A 28 11.034 5.806 -6.005 1.00 1.43 H new ATOM 0 HB3 ARG A 28 10.912 7.033 -7.250 1.00 1.43 H new ATOM 0 HG2 ARG A 28 9.238 7.214 -4.740 1.00 32.32 H new ATOM 0 HG3 ARG A 28 10.906 7.749 -4.748 1.00 32.32 H new ATOM 0 HD2 ARG A 28 10.305 9.198 -6.777 1.00 1.34 H new ATOM 0 HD3 ARG A 28 8.628 8.802 -6.457 1.00 1.34 H new ATOM 0 HE ARG A 28 9.829 9.764 -4.035 1.00 53.55 H new ATOM 0 HH11 ARG A 28 8.766 10.859 -7.224 1.00 43.31 H new ATOM 0 HH12 ARG A 28 8.445 12.509 -6.678 1.00 43.31 H new ATOM 0 HH21 ARG A 28 9.455 11.885 -3.352 1.00 41.12 H new ATOM 0 HH22 ARG A 28 8.835 13.088 -4.487 1.00 41.12 H new ATOM 459 N ARG A 29 8.813 6.853 -9.212 1.00 72.40 N ATOM 460 CA ARG A 29 8.090 7.588 -10.244 1.00 60.02 C ATOM 461 C ARG A 29 6.772 6.890 -10.553 1.00 4.25 C ATOM 462 O ARG A 29 5.730 7.527 -10.634 1.00 64.12 O ATOM 463 CB ARG A 29 8.945 7.688 -11.518 1.00 11.44 C ATOM 464 CG ARG A 29 8.156 8.022 -12.780 1.00 23.52 C ATOM 465 CD ARG A 29 7.605 9.438 -12.766 1.00 71.42 C ATOM 466 NE ARG A 29 8.633 10.430 -13.070 1.00 63.11 N ATOM 467 CZ ARG A 29 8.384 11.597 -13.663 1.00 40.11 C ATOM 468 NH1 ARG A 29 7.152 11.893 -14.064 1.00 24.30 N ATOM 469 NH2 ARG A 29 9.374 12.450 -13.888 1.00 25.42 N ATOM 0 H ARG A 29 9.695 6.450 -9.527 1.00 72.40 H new ATOM 0 HA ARG A 29 7.881 8.594 -9.881 1.00 60.02 H new ATOM 0 HB2 ARG A 29 9.709 8.451 -11.369 1.00 11.44 H new ATOM 0 HB3 ARG A 29 9.464 6.741 -11.668 1.00 11.44 H new ATOM 0 HG2 ARG A 29 8.799 7.895 -13.651 1.00 23.52 H new ATOM 0 HG3 ARG A 29 7.332 7.316 -12.887 1.00 23.52 H new ATOM 0 HD2 ARG A 29 6.797 9.519 -13.493 1.00 71.42 H new ATOM 0 HD3 ARG A 29 7.175 9.650 -11.787 1.00 71.42 H new ATOM 0 HE ARG A 29 9.597 10.217 -12.814 1.00 63.11 H new ATOM 0 HH11 ARG A 29 6.394 11.226 -13.918 1.00 24.30 H new ATOM 0 HH12 ARG A 29 6.964 12.787 -14.518 1.00 24.30 H new ATOM 0 HH21 ARG A 29 10.325 12.213 -13.607 1.00 25.42 H new ATOM 0 HH22 ARG A 29 9.184 13.343 -14.342 1.00 25.42 H new ATOM 483 N LYS A 30 6.844 5.574 -10.717 1.00 42.23 N ATOM 484 CA LYS A 30 5.674 4.747 -11.013 1.00 4.22 C ATOM 485 C LYS A 30 4.585 4.947 -9.957 1.00 40.31 C ATOM 486 O LYS A 30 3.423 5.180 -10.283 1.00 53.13 O ATOM 487 CB LYS A 30 6.099 3.273 -11.072 1.00 21.25 C ATOM 488 CG LYS A 30 5.023 2.318 -11.569 1.00 5.10 C ATOM 489 CD LYS A 30 5.536 0.887 -11.602 1.00 40.00 C ATOM 490 CE LYS A 30 4.532 -0.061 -12.235 1.00 14.30 C ATOM 491 NZ LYS A 30 5.027 -1.463 -12.222 1.00 71.03 N ATOM 0 H LYS A 30 7.715 5.047 -10.649 1.00 42.23 H new ATOM 0 HA LYS A 30 5.262 5.045 -11.977 1.00 4.22 H new ATOM 0 HB2 LYS A 30 6.970 3.186 -11.721 1.00 21.25 H new ATOM 0 HB3 LYS A 30 6.412 2.959 -10.076 1.00 21.25 H new ATOM 0 HG2 LYS A 30 4.149 2.380 -10.920 1.00 5.10 H new ATOM 0 HG3 LYS A 30 4.701 2.615 -12.567 1.00 5.10 H new ATOM 0 HD2 LYS A 30 6.472 0.850 -12.160 1.00 40.00 H new ATOM 0 HD3 LYS A 30 5.757 0.557 -10.587 1.00 40.00 H new ATOM 0 HE2 LYS A 30 3.585 -0.003 -11.698 1.00 14.30 H new ATOM 0 HE3 LYS A 30 4.335 0.248 -13.262 1.00 14.30 H new ATOM 0 HZ1 LYS A 30 4.230 -2.111 -12.062 1.00 71.03 H new ATOM 0 HZ2 LYS A 30 5.474 -1.682 -13.135 1.00 71.03 H new ATOM 0 HZ3 LYS A 30 5.724 -1.578 -11.459 1.00 71.03 H new ATOM 505 N ILE A 31 4.981 4.870 -8.692 1.00 74.34 N ATOM 506 CA ILE A 31 4.061 5.065 -7.573 1.00 32.12 C ATOM 507 C ILE A 31 3.427 6.457 -7.616 1.00 72.31 C ATOM 508 O ILE A 31 2.207 6.602 -7.510 1.00 21.33 O ATOM 509 CB ILE A 31 4.795 4.877 -6.226 1.00 62.23 C ATOM 510 CG1 ILE A 31 5.413 3.478 -6.154 1.00 5.11 C ATOM 511 CG2 ILE A 31 3.844 5.098 -5.058 1.00 12.44 C ATOM 512 CD1 ILE A 31 6.348 3.280 -4.980 1.00 52.20 C ATOM 0 H ILE A 31 5.942 4.672 -8.412 1.00 74.34 H new ATOM 0 HA ILE A 31 3.273 4.317 -7.662 1.00 32.12 H new ATOM 0 HB ILE A 31 5.592 5.618 -6.160 1.00 62.23 H new ATOM 0 HG12 ILE A 31 4.613 2.740 -6.097 1.00 5.11 H new ATOM 0 HG13 ILE A 31 5.959 3.285 -7.077 1.00 5.11 H new ATOM 0 HG21 ILE A 31 4.382 4.961 -4.120 1.00 12.44 H new ATOM 0 HG22 ILE A 31 3.443 6.111 -5.102 1.00 12.44 H new ATOM 0 HG23 ILE A 31 3.025 4.381 -5.115 1.00 12.44 H new ATOM 0 HD11 ILE A 31 6.745 2.265 -4.998 1.00 52.20 H new ATOM 0 HD12 ILE A 31 7.170 3.993 -5.046 1.00 52.20 H new ATOM 0 HD13 ILE A 31 5.803 3.440 -4.050 1.00 52.20 H new ATOM 524 N MET A 32 4.265 7.470 -7.791 1.00 11.13 N ATOM 525 CA MET A 32 3.804 8.855 -7.839 1.00 31.03 C ATOM 526 C MET A 32 2.894 9.084 -9.047 1.00 3.51 C ATOM 527 O MET A 32 1.898 9.803 -8.964 1.00 54.24 O ATOM 528 CB MET A 32 5.007 9.803 -7.895 1.00 54.15 C ATOM 529 CG MET A 32 4.882 11.023 -6.993 1.00 52.34 C ATOM 530 SD MET A 32 3.643 12.202 -7.568 1.00 64.31 S ATOM 531 CE MET A 32 3.794 13.484 -6.325 1.00 54.32 C ATOM 0 H MET A 32 5.273 7.360 -7.903 1.00 11.13 H new ATOM 0 HA MET A 32 3.229 9.060 -6.936 1.00 31.03 H new ATOM 0 HB2 MET A 32 5.904 9.250 -7.617 1.00 54.15 H new ATOM 0 HB3 MET A 32 5.144 10.138 -8.923 1.00 54.15 H new ATOM 0 HG2 MET A 32 4.625 10.698 -5.985 1.00 52.34 H new ATOM 0 HG3 MET A 32 5.849 11.522 -6.930 1.00 52.34 H new ATOM 0 HE1 MET A 32 2.852 14.026 -6.245 1.00 54.32 H new ATOM 0 HE2 MET A 32 4.036 13.032 -5.363 1.00 54.32 H new ATOM 0 HE3 MET A 32 4.587 14.176 -6.610 1.00 54.32 H new ATOM 541 N ASP A 33 3.243 8.452 -10.161 1.00 15.11 N ATOM 542 CA ASP A 33 2.484 8.572 -11.405 1.00 65.41 C ATOM 543 C ASP A 33 1.094 7.960 -11.260 1.00 43.21 C ATOM 544 O ASP A 33 0.127 8.439 -11.860 1.00 15.12 O ATOM 545 CB ASP A 33 3.247 7.889 -12.543 1.00 74.50 C ATOM 546 CG ASP A 33 2.546 8.004 -13.881 1.00 11.31 C ATOM 547 OD1 ASP A 33 2.689 9.055 -14.543 1.00 74.20 O ATOM 548 OD2 ASP A 33 1.869 7.040 -14.285 1.00 33.41 O ATOM 0 H ASP A 33 4.058 7.843 -10.230 1.00 15.11 H new ATOM 0 HA ASP A 33 2.363 9.630 -11.636 1.00 65.41 H new ATOM 0 HB2 ASP A 33 4.241 8.329 -12.621 1.00 74.50 H new ATOM 0 HB3 ASP A 33 3.383 6.835 -12.300 1.00 74.50 H new ATOM 553 N MET A 34 1.000 6.908 -10.449 1.00 22.22 N ATOM 554 CA MET A 34 -0.277 6.258 -10.164 1.00 24.43 C ATOM 555 C MET A 34 -1.192 7.175 -9.362 1.00 13.35 C ATOM 556 O MET A 34 -2.403 6.960 -9.298 1.00 2.32 O ATOM 557 CB MET A 34 -0.063 4.950 -9.396 1.00 12.23 C ATOM 558 CG MET A 34 -0.163 3.702 -10.261 1.00 3.10 C ATOM 559 SD MET A 34 1.046 3.664 -11.599 1.00 21.22 S ATOM 560 CE MET A 34 0.634 2.107 -12.384 1.00 62.54 C ATOM 0 H MET A 34 1.799 6.486 -9.975 1.00 22.22 H new ATOM 0 HA MET A 34 -0.751 6.037 -11.120 1.00 24.43 H new ATOM 0 HB2 MET A 34 0.919 4.974 -8.923 1.00 12.23 H new ATOM 0 HB3 MET A 34 -0.800 4.885 -8.596 1.00 12.23 H new ATOM 0 HG2 MET A 34 -0.028 2.821 -9.633 1.00 3.10 H new ATOM 0 HG3 MET A 34 -1.166 3.641 -10.684 1.00 3.10 H new ATOM 0 HE1 MET A 34 1.009 2.105 -13.407 1.00 62.54 H new ATOM 0 HE2 MET A 34 1.090 1.288 -11.829 1.00 62.54 H new ATOM 0 HE3 MET A 34 -0.449 1.980 -12.394 1.00 62.54 H new ATOM 570 N GLY A 35 -0.612 8.197 -8.752 1.00 12.13 N ATOM 571 CA GLY A 35 -1.400 9.140 -7.988 1.00 71.31 C ATOM 572 C GLY A 35 -1.262 8.936 -6.493 1.00 14.14 C ATOM 573 O GLY A 35 -2.035 9.490 -5.711 1.00 22.41 O ATOM 0 H GLY A 35 0.389 8.390 -8.772 1.00 12.13 H new ATOM 0 HA2 GLY A 35 -1.094 10.155 -8.243 1.00 71.31 H new ATOM 0 HA3 GLY A 35 -2.449 9.044 -8.269 1.00 71.31 H new ATOM 577 N ILE A 36 -0.281 8.136 -6.096 1.00 52.11 N ATOM 578 CA ILE A 36 -0.022 7.897 -4.684 1.00 14.13 C ATOM 579 C ILE A 36 0.994 8.898 -4.165 1.00 20.01 C ATOM 580 O ILE A 36 2.082 9.052 -4.728 1.00 3.43 O ATOM 581 CB ILE A 36 0.499 6.473 -4.424 1.00 61.22 C ATOM 582 CG1 ILE A 36 -0.430 5.445 -5.067 1.00 22.25 C ATOM 583 CG2 ILE A 36 0.615 6.220 -2.926 1.00 74.05 C ATOM 584 CD1 ILE A 36 0.086 4.022 -4.995 1.00 35.42 C ATOM 0 H ILE A 36 0.347 7.643 -6.731 1.00 52.11 H new ATOM 0 HA ILE A 36 -0.970 8.013 -4.159 1.00 14.13 H new ATOM 0 HB ILE A 36 1.488 6.375 -4.871 1.00 61.22 H new ATOM 0 HG12 ILE A 36 -1.403 5.493 -4.578 1.00 22.25 H new ATOM 0 HG13 ILE A 36 -0.584 5.713 -6.112 1.00 22.25 H new ATOM 0 HG21 ILE A 36 0.985 5.209 -2.755 1.00 74.05 H new ATOM 0 HG22 ILE A 36 1.308 6.938 -2.488 1.00 74.05 H new ATOM 0 HG23 ILE A 36 -0.365 6.331 -2.461 1.00 74.05 H new ATOM 0 HD11 ILE A 36 -0.628 3.351 -5.472 1.00 35.42 H new ATOM 0 HD12 ILE A 36 1.045 3.956 -5.509 1.00 35.42 H new ATOM 0 HD13 ILE A 36 0.213 3.733 -3.952 1.00 35.42 H new ATOM 596 N VAL A 37 0.632 9.576 -3.095 1.00 33.42 N ATOM 597 CA VAL A 37 1.478 10.610 -2.527 1.00 42.21 C ATOM 598 C VAL A 37 1.574 10.467 -1.014 1.00 51.22 C ATOM 599 O VAL A 37 0.845 9.681 -0.402 1.00 11.44 O ATOM 600 CB VAL A 37 0.965 12.030 -2.871 1.00 4.14 C ATOM 601 CG1 VAL A 37 0.944 12.257 -4.377 1.00 64.24 C ATOM 602 CG2 VAL A 37 -0.415 12.268 -2.280 1.00 75.42 C ATOM 0 H VAL A 37 -0.247 9.430 -2.598 1.00 33.42 H new ATOM 0 HA VAL A 37 2.466 10.481 -2.968 1.00 42.21 H new ATOM 0 HB VAL A 37 1.657 12.746 -2.428 1.00 4.14 H new ATOM 0 HG11 VAL A 37 0.579 13.262 -4.588 1.00 64.24 H new ATOM 0 HG12 VAL A 37 1.952 12.145 -4.776 1.00 64.24 H new ATOM 0 HG13 VAL A 37 0.285 11.526 -4.846 1.00 64.24 H new ATOM 0 HG21 VAL A 37 -0.752 13.272 -2.536 1.00 75.42 H new ATOM 0 HG22 VAL A 37 -1.115 11.536 -2.684 1.00 75.42 H new ATOM 0 HG23 VAL A 37 -0.369 12.166 -1.196 1.00 75.42 H new ATOM 612 N ARG A 38 2.482 11.224 -0.420 1.00 64.11 N ATOM 613 CA ARG A 38 2.634 11.245 1.026 1.00 20.10 C ATOM 614 C ARG A 38 1.351 11.735 1.693 1.00 15.43 C ATOM 615 O ARG A 38 1.000 12.914 1.597 1.00 61.32 O ATOM 616 CB ARG A 38 3.806 12.148 1.413 1.00 41.24 C ATOM 617 CG ARG A 38 4.005 12.301 2.914 1.00 3.51 C ATOM 618 CD ARG A 38 5.155 13.245 3.225 1.00 22.14 C ATOM 619 NE ARG A 38 5.321 13.463 4.660 1.00 73.35 N ATOM 620 CZ ARG A 38 6.456 13.869 5.225 1.00 71.03 C ATOM 621 NH1 ARG A 38 7.519 14.141 4.475 1.00 20.12 N ATOM 622 NH2 ARG A 38 6.516 14.030 6.542 1.00 3.33 N ATOM 0 H ARG A 38 3.128 11.835 -0.920 1.00 64.11 H new ATOM 0 HA ARG A 38 2.836 10.231 1.370 1.00 20.10 H new ATOM 0 HB2 ARG A 38 4.720 11.746 0.976 1.00 41.24 H new ATOM 0 HB3 ARG A 38 3.650 13.134 0.976 1.00 41.24 H new ATOM 0 HG2 ARG A 38 3.089 12.679 3.368 1.00 3.51 H new ATOM 0 HG3 ARG A 38 4.202 11.325 3.358 1.00 3.51 H new ATOM 0 HD2 ARG A 38 6.078 12.838 2.812 1.00 22.14 H new ATOM 0 HD3 ARG A 38 4.980 14.201 2.732 1.00 22.14 H new ATOM 0 HE ARG A 38 4.518 13.294 5.266 1.00 73.35 H new ATOM 0 HH11 ARG A 38 7.468 14.039 3.461 1.00 20.12 H new ATOM 0 HH12 ARG A 38 8.386 14.452 4.913 1.00 20.12 H new ATOM 0 HH21 ARG A 38 5.694 13.843 7.117 1.00 3.33 H new ATOM 0 HH22 ARG A 38 7.384 14.341 6.979 1.00 3.33 H new ATOM 636 N GLY A 39 0.649 10.824 2.354 1.00 34.33 N ATOM 637 CA GLY A 39 -0.572 11.187 3.045 1.00 1.52 C ATOM 638 C GLY A 39 -1.791 10.445 2.529 1.00 63.12 C ATOM 639 O GLY A 39 -2.865 10.518 3.131 1.00 12.12 O ATOM 0 H GLY A 39 0.904 9.839 2.424 1.00 34.33 H new ATOM 0 HA2 GLY A 39 -0.454 10.984 4.109 1.00 1.52 H new ATOM 0 HA3 GLY A 39 -0.736 12.260 2.941 1.00 1.52 H new ATOM 643 N THR A 40 -1.639 9.738 1.417 1.00 24.50 N ATOM 644 CA THR A 40 -2.740 8.970 0.854 1.00 70.33 C ATOM 645 C THR A 40 -3.044 7.747 1.718 1.00 62.11 C ATOM 646 O THR A 40 -2.155 7.194 2.374 1.00 42.23 O ATOM 647 CB THR A 40 -2.422 8.509 -0.581 1.00 71.45 C ATOM 648 OG1 THR A 40 -1.870 9.598 -1.329 1.00 33.25 O ATOM 649 CG2 THR A 40 -3.671 8.003 -1.289 1.00 75.52 C ATOM 0 H THR A 40 -0.768 9.681 0.889 1.00 24.50 H new ATOM 0 HA THR A 40 -3.612 9.623 0.830 1.00 70.33 H new ATOM 0 HB THR A 40 -1.702 7.693 -0.518 1.00 71.45 H new ATOM 0 HG1 THR A 40 -0.971 9.801 -0.996 1.00 33.25 H new ATOM 0 HG21 THR A 40 -3.413 7.685 -2.299 1.00 75.52 H new ATOM 0 HG22 THR A 40 -4.085 7.159 -0.738 1.00 75.52 H new ATOM 0 HG23 THR A 40 -4.411 8.802 -1.338 1.00 75.52 H new ATOM 657 N GLU A 41 -4.305 7.349 1.726 1.00 74.13 N ATOM 658 CA GLU A 41 -4.743 6.171 2.446 1.00 33.33 C ATOM 659 C GLU A 41 -4.847 4.990 1.501 1.00 32.12 C ATOM 660 O GLU A 41 -5.412 5.097 0.410 1.00 25.54 O ATOM 661 CB GLU A 41 -6.093 6.427 3.105 1.00 53.51 C ATOM 662 CG GLU A 41 -6.027 7.355 4.306 1.00 3.13 C ATOM 663 CD GLU A 41 -7.398 7.671 4.863 1.00 30.43 C ATOM 664 OE1 GLU A 41 -8.022 6.777 5.465 1.00 31.31 O ATOM 665 OE2 GLU A 41 -7.858 8.822 4.700 1.00 21.41 O ATOM 0 H GLU A 41 -5.053 7.836 1.232 1.00 74.13 H new ATOM 0 HA GLU A 41 -4.010 5.943 3.220 1.00 33.33 H new ATOM 0 HB2 GLU A 41 -6.772 6.853 2.366 1.00 53.51 H new ATOM 0 HB3 GLU A 41 -6.520 5.474 3.418 1.00 53.51 H new ATOM 0 HG2 GLU A 41 -5.418 6.895 5.084 1.00 3.13 H new ATOM 0 HG3 GLU A 41 -5.531 8.282 4.019 1.00 3.13 H new ATOM 672 N ILE A 42 -4.296 3.877 1.926 1.00 44.23 N ATOM 673 CA ILE A 42 -4.276 2.674 1.125 1.00 73.13 C ATOM 674 C ILE A 42 -5.223 1.633 1.709 1.00 55.02 C ATOM 675 O ILE A 42 -5.088 1.246 2.872 1.00 64.32 O ATOM 676 CB ILE A 42 -2.851 2.087 1.061 1.00 44.35 C ATOM 677 CG1 ILE A 42 -1.886 3.074 0.394 1.00 1.13 C ATOM 678 CG2 ILE A 42 -2.848 0.750 0.332 1.00 61.11 C ATOM 679 CD1 ILE A 42 -2.216 3.383 -1.051 1.00 64.20 C ATOM 0 H ILE A 42 -3.848 3.779 2.837 1.00 44.23 H new ATOM 0 HA ILE A 42 -4.600 2.934 0.117 1.00 73.13 H new ATOM 0 HB ILE A 42 -2.509 1.916 2.082 1.00 44.35 H new ATOM 0 HG12 ILE A 42 -1.885 4.004 0.962 1.00 1.13 H new ATOM 0 HG13 ILE A 42 -0.876 2.668 0.446 1.00 1.13 H new ATOM 0 HG21 ILE A 42 -1.832 0.356 0.299 1.00 61.11 H new ATOM 0 HG22 ILE A 42 -3.494 0.047 0.859 1.00 61.11 H new ATOM 0 HG23 ILE A 42 -3.216 0.889 -0.685 1.00 61.11 H new ATOM 0 HD11 ILE A 42 -1.486 4.088 -1.448 1.00 64.20 H new ATOM 0 HD12 ILE A 42 -2.187 2.463 -1.635 1.00 64.20 H new ATOM 0 HD13 ILE A 42 -3.213 3.820 -1.111 1.00 64.20 H new ATOM 691 N TYR A 43 -6.190 1.197 0.915 1.00 13.12 N ATOM 692 CA TYR A 43 -7.081 0.131 1.336 1.00 63.32 C ATOM 693 C TYR A 43 -6.807 -1.108 0.508 1.00 0.24 C ATOM 694 O TYR A 43 -7.040 -1.121 -0.701 1.00 70.35 O ATOM 695 CB TYR A 43 -8.549 0.540 1.191 1.00 74.45 C ATOM 696 CG TYR A 43 -9.518 -0.448 1.812 1.00 15.21 C ATOM 697 CD1 TYR A 43 -9.358 -0.870 3.125 1.00 4.55 C ATOM 698 CD2 TYR A 43 -10.586 -0.962 1.088 1.00 1.23 C ATOM 699 CE1 TYR A 43 -10.233 -1.767 3.702 1.00 65.11 C ATOM 700 CE2 TYR A 43 -11.469 -1.862 1.661 1.00 40.11 C ATOM 701 CZ TYR A 43 -11.285 -2.262 2.969 1.00 3.31 C ATOM 702 OH TYR A 43 -12.156 -3.157 3.551 1.00 31.41 O ATOM 0 H TYR A 43 -6.375 1.564 -0.019 1.00 13.12 H new ATOM 0 HA TYR A 43 -6.895 -0.077 2.390 1.00 63.32 H new ATOM 0 HB2 TYR A 43 -8.693 1.517 1.653 1.00 74.45 H new ATOM 0 HB3 TYR A 43 -8.784 0.650 0.132 1.00 74.45 H new ATOM 0 HD1 TYR A 43 -8.532 -0.488 3.706 1.00 4.55 H new ATOM 0 HD2 TYR A 43 -10.730 -0.655 0.063 1.00 1.23 H new ATOM 0 HE1 TYR A 43 -10.092 -2.079 4.726 1.00 65.11 H new ATOM 0 HE2 TYR A 43 -12.298 -2.249 1.087 1.00 40.11 H new ATOM 0 HH TYR A 43 -12.845 -3.411 2.903 1.00 31.41 H new ATOM 712 N ILE A 44 -6.279 -2.133 1.147 1.00 74.42 N ATOM 713 CA ILE A 44 -6.038 -3.391 0.469 1.00 73.20 C ATOM 714 C ILE A 44 -7.357 -4.125 0.285 1.00 14.33 C ATOM 715 O ILE A 44 -8.057 -4.396 1.253 1.00 62.24 O ATOM 716 CB ILE A 44 -5.054 -4.288 1.256 1.00 75.20 C ATOM 717 CG1 ILE A 44 -3.724 -3.563 1.478 1.00 73.13 C ATOM 718 CG2 ILE A 44 -4.824 -5.609 0.528 1.00 33.03 C ATOM 719 CD1 ILE A 44 -3.023 -3.164 0.196 1.00 71.32 C ATOM 0 H ILE A 44 -6.010 -2.120 2.131 1.00 74.42 H new ATOM 0 HA ILE A 44 -5.588 -3.171 -0.499 1.00 73.20 H new ATOM 0 HB ILE A 44 -5.497 -4.505 2.228 1.00 75.20 H new ATOM 0 HG12 ILE A 44 -3.904 -2.670 2.076 1.00 73.13 H new ATOM 0 HG13 ILE A 44 -3.062 -4.207 2.058 1.00 73.13 H new ATOM 0 HG21 ILE A 44 -4.129 -6.223 1.100 1.00 33.03 H new ATOM 0 HG22 ILE A 44 -5.772 -6.136 0.423 1.00 33.03 H new ATOM 0 HG23 ILE A 44 -4.407 -5.412 -0.460 1.00 33.03 H new ATOM 0 HD11 ILE A 44 -2.089 -2.656 0.435 1.00 71.32 H new ATOM 0 HD12 ILE A 44 -2.810 -4.055 -0.395 1.00 71.32 H new ATOM 0 HD13 ILE A 44 -3.665 -2.494 -0.376 1.00 71.32 H new ATOM 731 N GLU A 45 -7.709 -4.416 -0.955 1.00 14.33 N ATOM 732 CA GLU A 45 -8.933 -5.148 -1.238 1.00 22.13 C ATOM 733 C GLU A 45 -8.673 -6.637 -1.041 1.00 51.15 C ATOM 734 O GLU A 45 -9.368 -7.315 -0.283 1.00 45.42 O ATOM 735 CB GLU A 45 -9.398 -4.877 -2.674 1.00 3.11 C ATOM 736 CG GLU A 45 -10.911 -4.808 -2.839 1.00 42.34 C ATOM 737 CD GLU A 45 -11.626 -6.041 -2.325 1.00 1.32 C ATOM 738 OE1 GLU A 45 -11.791 -7.009 -3.097 1.00 25.43 O ATOM 739 OE2 GLU A 45 -12.038 -6.041 -1.147 1.00 52.43 O ATOM 0 H GLU A 45 -7.167 -4.158 -1.780 1.00 14.33 H new ATOM 0 HA GLU A 45 -9.719 -4.819 -0.559 1.00 22.13 H new ATOM 0 HB2 GLU A 45 -8.964 -3.936 -3.013 1.00 3.11 H new ATOM 0 HB3 GLU A 45 -9.008 -5.661 -3.324 1.00 3.11 H new ATOM 0 HG2 GLU A 45 -11.288 -3.932 -2.312 1.00 42.34 H new ATOM 0 HG3 GLU A 45 -11.149 -4.672 -3.894 1.00 42.34 H new ATOM 746 N GLY A 46 -7.639 -7.122 -1.710 1.00 55.31 N ATOM 747 CA GLY A 46 -7.259 -8.511 -1.613 1.00 65.14 C ATOM 748 C GLY A 46 -5.955 -8.759 -2.329 1.00 40.03 C ATOM 749 O GLY A 46 -5.374 -7.834 -2.897 1.00 73.40 O ATOM 0 H GLY A 46 -7.049 -6.565 -2.328 1.00 55.31 H new ATOM 0 HA2 GLY A 46 -7.164 -8.795 -0.565 1.00 65.14 H new ATOM 0 HA3 GLY A 46 -8.040 -9.138 -2.043 1.00 65.14 H new ATOM 753 N LYS A 47 -5.482 -9.989 -2.301 1.00 73.13 N ATOM 754 CA LYS A 47 -4.260 -10.343 -3.000 1.00 24.22 C ATOM 755 C LYS A 47 -4.574 -11.389 -4.054 1.00 43.14 C ATOM 756 O LYS A 47 -5.584 -12.089 -3.956 1.00 15.13 O ATOM 757 CB LYS A 47 -3.211 -10.882 -2.019 1.00 62.31 C ATOM 758 CG LYS A 47 -2.932 -9.951 -0.845 1.00 70.45 C ATOM 759 CD LYS A 47 -1.922 -10.550 0.126 1.00 20.11 C ATOM 760 CE LYS A 47 -0.525 -10.574 -0.464 1.00 5.12 C ATOM 761 NZ LYS A 47 0.453 -11.225 0.449 1.00 30.01 N ATOM 0 H LYS A 47 -5.924 -10.761 -1.802 1.00 73.13 H new ATOM 0 HA LYS A 47 -3.852 -9.452 -3.477 1.00 24.22 H new ATOM 0 HB2 LYS A 47 -3.547 -11.845 -1.635 1.00 62.31 H new ATOM 0 HB3 LYS A 47 -2.281 -11.061 -2.558 1.00 62.31 H new ATOM 0 HG2 LYS A 47 -2.556 -8.998 -1.218 1.00 70.45 H new ATOM 0 HG3 LYS A 47 -3.863 -9.742 -0.318 1.00 70.45 H new ATOM 0 HD2 LYS A 47 -1.917 -9.971 1.050 1.00 20.11 H new ATOM 0 HD3 LYS A 47 -2.225 -11.564 0.387 1.00 20.11 H new ATOM 0 HE2 LYS A 47 -0.542 -11.105 -1.416 1.00 5.12 H new ATOM 0 HE3 LYS A 47 -0.202 -9.554 -0.674 1.00 5.12 H new ATOM 0 HZ1 LYS A 47 1.395 -11.221 0.009 1.00 30.01 H new ATOM 0 HZ2 LYS A 47 0.489 -10.704 1.348 1.00 30.01 H new ATOM 0 HZ3 LYS A 47 0.160 -12.206 0.629 1.00 30.01 H new ATOM 775 N ALA A 48 -3.728 -11.482 -5.066 1.00 1.23 N ATOM 776 CA ALA A 48 -3.887 -12.496 -6.092 1.00 44.24 C ATOM 777 C ALA A 48 -3.694 -13.885 -5.489 1.00 53.42 C ATOM 778 O ALA A 48 -3.058 -14.026 -4.442 1.00 25.13 O ATOM 779 CB ALA A 48 -2.895 -12.261 -7.222 1.00 32.12 C ATOM 0 H ALA A 48 -2.925 -10.867 -5.198 1.00 1.23 H new ATOM 0 HA ALA A 48 -4.896 -12.431 -6.500 1.00 44.24 H new ATOM 0 HB1 ALA A 48 -3.024 -13.028 -7.985 1.00 32.12 H new ATOM 0 HB2 ALA A 48 -3.070 -11.279 -7.661 1.00 32.12 H new ATOM 0 HB3 ALA A 48 -1.879 -12.307 -6.830 1.00 32.12 H new ATOM 785 N PRO A 49 -4.238 -14.930 -6.129 1.00 73.31 N ATOM 786 CA PRO A 49 -4.080 -16.317 -5.665 1.00 44.22 C ATOM 787 C PRO A 49 -2.616 -16.754 -5.593 1.00 52.23 C ATOM 788 O PRO A 49 -2.295 -17.795 -5.023 1.00 72.31 O ATOM 789 CB PRO A 49 -4.822 -17.138 -6.721 1.00 54.33 C ATOM 790 CG PRO A 49 -5.771 -16.180 -7.351 1.00 74.13 C ATOM 791 CD PRO A 49 -5.078 -14.850 -7.336 1.00 5.21 C ATOM 0 HA PRO A 49 -4.465 -16.444 -4.653 1.00 44.22 H new ATOM 0 HB2 PRO A 49 -4.132 -17.552 -7.456 1.00 54.33 H new ATOM 0 HB3 PRO A 49 -5.350 -17.978 -6.270 1.00 54.33 H new ATOM 0 HG2 PRO A 49 -6.014 -16.483 -8.369 1.00 74.13 H new ATOM 0 HG3 PRO A 49 -6.709 -16.138 -6.798 1.00 74.13 H new ATOM 0 HD2 PRO A 49 -4.480 -14.696 -8.234 1.00 5.21 H new ATOM 0 HD3 PRO A 49 -5.788 -14.025 -7.280 1.00 5.21 H new ATOM 799 N MET A 50 -1.737 -15.953 -6.182 1.00 43.30 N ATOM 800 CA MET A 50 -0.309 -16.241 -6.179 1.00 71.33 C ATOM 801 C MET A 50 0.400 -15.417 -5.107 1.00 1.15 C ATOM 802 O MET A 50 1.609 -15.535 -4.918 1.00 45.34 O ATOM 803 CB MET A 50 0.296 -15.924 -7.548 1.00 24.55 C ATOM 804 CG MET A 50 -0.434 -16.576 -8.710 1.00 44.43 C ATOM 805 SD MET A 50 -0.500 -18.372 -8.575 1.00 61.42 S ATOM 806 CE MET A 50 -1.466 -18.774 -10.029 1.00 13.51 C ATOM 0 H MET A 50 -1.990 -15.094 -6.670 1.00 43.30 H new ATOM 0 HA MET A 50 -0.174 -17.300 -5.961 1.00 71.33 H new ATOM 0 HB2 MET A 50 0.297 -14.844 -7.693 1.00 24.55 H new ATOM 0 HB3 MET A 50 1.337 -16.248 -7.558 1.00 24.55 H new ATOM 0 HG2 MET A 50 -1.449 -16.183 -8.762 1.00 44.43 H new ATOM 0 HG3 MET A 50 0.061 -16.304 -9.642 1.00 44.43 H new ATOM 0 HE1 MET A 50 -1.598 -19.854 -10.091 1.00 13.51 H new ATOM 0 HE2 MET A 50 -2.442 -18.293 -9.962 1.00 13.51 H new ATOM 0 HE3 MET A 50 -0.947 -18.420 -10.920 1.00 13.51 H new ATOM 816 N GLY A 51 -0.361 -14.572 -4.417 1.00 11.34 N ATOM 817 CA GLY A 51 0.213 -13.687 -3.415 1.00 25.34 C ATOM 818 C GLY A 51 0.659 -12.367 -4.015 1.00 44.22 C ATOM 819 O GLY A 51 0.883 -11.387 -3.304 1.00 73.33 O ATOM 0 H GLY A 51 -1.370 -14.483 -4.534 1.00 11.34 H new ATOM 0 HA2 GLY A 51 -0.522 -13.500 -2.632 1.00 25.34 H new ATOM 0 HA3 GLY A 51 1.064 -14.177 -2.943 1.00 25.34 H new ATOM 823 N ASP A 52 0.771 -12.357 -5.333 1.00 60.24 N ATOM 824 CA ASP A 52 1.190 -11.186 -6.089 1.00 23.00 C ATOM 825 C ASP A 52 0.543 -11.239 -7.467 1.00 41.53 C ATOM 826 O ASP A 52 0.467 -12.311 -8.070 1.00 54.01 O ATOM 827 CB ASP A 52 2.722 -11.149 -6.209 1.00 45.20 C ATOM 828 CG ASP A 52 3.225 -10.121 -7.209 1.00 40.33 C ATOM 829 OD1 ASP A 52 3.231 -8.912 -6.889 1.00 11.31 O ATOM 830 OD2 ASP A 52 3.646 -10.524 -8.314 1.00 55.24 O ATOM 0 H ASP A 52 0.572 -13.170 -5.915 1.00 60.24 H new ATOM 0 HA ASP A 52 0.874 -10.279 -5.574 1.00 23.00 H new ATOM 0 HB2 ASP A 52 3.150 -10.933 -5.230 1.00 45.20 H new ATOM 0 HB3 ASP A 52 3.080 -12.136 -6.503 1.00 45.20 H new ATOM 835 N PRO A 53 0.038 -10.104 -7.978 1.00 22.05 N ATOM 836 CA PRO A 53 0.095 -8.807 -7.295 1.00 55.21 C ATOM 837 C PRO A 53 -1.011 -8.624 -6.252 1.00 71.10 C ATOM 838 O PRO A 53 -1.669 -9.584 -5.841 1.00 10.02 O ATOM 839 CB PRO A 53 -0.084 -7.822 -8.447 1.00 64.41 C ATOM 840 CG PRO A 53 -0.958 -8.537 -9.418 1.00 12.54 C ATOM 841 CD PRO A 53 -0.629 -10.002 -9.287 1.00 32.32 C ATOM 0 HA PRO A 53 1.018 -8.682 -6.729 1.00 55.21 H new ATOM 0 HB2 PRO A 53 -0.544 -6.894 -8.108 1.00 64.41 H new ATOM 0 HB3 PRO A 53 0.874 -7.558 -8.895 1.00 64.41 H new ATOM 0 HG2 PRO A 53 -2.010 -8.354 -9.201 1.00 12.54 H new ATOM 0 HG3 PRO A 53 -0.777 -8.187 -10.434 1.00 12.54 H new ATOM 0 HD2 PRO A 53 -1.528 -10.618 -9.326 1.00 32.32 H new ATOM 0 HD3 PRO A 53 0.022 -10.338 -10.094 1.00 32.32 H new ATOM 849 N ILE A 54 -1.207 -7.382 -5.828 1.00 1.01 N ATOM 850 CA ILE A 54 -2.184 -7.059 -4.800 1.00 64.24 C ATOM 851 C ILE A 54 -3.239 -6.105 -5.363 1.00 44.02 C ATOM 852 O ILE A 54 -2.940 -5.290 -6.234 1.00 22.34 O ATOM 853 CB ILE A 54 -1.497 -6.404 -3.577 1.00 51.34 C ATOM 854 CG1 ILE A 54 -0.317 -7.261 -3.106 1.00 54.14 C ATOM 855 CG2 ILE A 54 -2.494 -6.208 -2.442 1.00 33.42 C ATOM 856 CD1 ILE A 54 0.488 -6.633 -1.988 1.00 51.10 C ATOM 0 H ILE A 54 -0.696 -6.575 -6.186 1.00 1.01 H new ATOM 0 HA ILE A 54 -2.662 -7.985 -4.480 1.00 64.24 H new ATOM 0 HB ILE A 54 -1.121 -5.426 -3.878 1.00 51.34 H new ATOM 0 HG12 ILE A 54 -0.693 -8.228 -2.771 1.00 54.14 H new ATOM 0 HG13 ILE A 54 0.342 -7.451 -3.953 1.00 54.14 H new ATOM 0 HG21 ILE A 54 -1.991 -5.746 -1.592 1.00 33.42 H new ATOM 0 HG22 ILE A 54 -3.306 -5.563 -2.778 1.00 33.42 H new ATOM 0 HG23 ILE A 54 -2.899 -7.175 -2.143 1.00 33.42 H new ATOM 0 HD11 ILE A 54 1.305 -7.299 -1.709 1.00 51.10 H new ATOM 0 HD12 ILE A 54 0.895 -5.680 -2.324 1.00 51.10 H new ATOM 0 HD13 ILE A 54 -0.156 -6.468 -1.124 1.00 51.10 H new ATOM 868 N ALA A 55 -4.470 -6.217 -4.885 1.00 53.22 N ATOM 869 CA ALA A 55 -5.536 -5.317 -5.302 1.00 5.11 C ATOM 870 C ALA A 55 -5.714 -4.205 -4.275 1.00 1.22 C ATOM 871 O ALA A 55 -6.009 -4.470 -3.110 1.00 43.53 O ATOM 872 CB ALA A 55 -6.836 -6.083 -5.492 1.00 24.31 C ATOM 0 H ALA A 55 -4.756 -6.923 -4.207 1.00 53.22 H new ATOM 0 HA ALA A 55 -5.262 -4.869 -6.257 1.00 5.11 H new ATOM 0 HB1 ALA A 55 -7.622 -5.395 -5.804 1.00 24.31 H new ATOM 0 HB2 ALA A 55 -6.699 -6.848 -6.257 1.00 24.31 H new ATOM 0 HB3 ALA A 55 -7.120 -6.556 -4.552 1.00 24.31 H new ATOM 878 N LEU A 56 -5.525 -2.966 -4.706 1.00 33.41 N ATOM 879 CA LEU A 56 -5.583 -1.824 -3.806 1.00 21.24 C ATOM 880 C LEU A 56 -6.723 -0.892 -4.191 1.00 62.31 C ATOM 881 O LEU A 56 -7.151 -0.863 -5.343 1.00 4.23 O ATOM 882 CB LEU A 56 -4.273 -1.024 -3.845 1.00 24.31 C ATOM 883 CG LEU A 56 -3.015 -1.729 -3.326 1.00 31.11 C ATOM 884 CD1 LEU A 56 -2.506 -2.765 -4.314 1.00 42.21 C ATOM 885 CD2 LEU A 56 -1.937 -0.703 -3.032 1.00 43.01 C ATOM 0 H LEU A 56 -5.329 -2.726 -5.678 1.00 33.41 H new ATOM 0 HA LEU A 56 -5.744 -2.215 -2.801 1.00 21.24 H new ATOM 0 HB2 LEU A 56 -4.091 -0.721 -4.876 1.00 24.31 H new ATOM 0 HB3 LEU A 56 -4.415 -0.112 -3.265 1.00 24.31 H new ATOM 0 HG LEU A 56 -3.275 -2.254 -2.407 1.00 31.11 H new ATOM 0 HD11 LEU A 56 -1.613 -3.244 -3.912 1.00 42.21 H new ATOM 0 HD12 LEU A 56 -3.277 -3.517 -4.482 1.00 42.21 H new ATOM 0 HD13 LEU A 56 -2.262 -2.278 -5.258 1.00 42.21 H new ATOM 0 HD21 LEU A 56 -1.044 -1.208 -2.663 1.00 43.01 H new ATOM 0 HD22 LEU A 56 -1.695 -0.158 -3.944 1.00 43.01 H new ATOM 0 HD23 LEU A 56 -2.296 -0.004 -2.277 1.00 43.01 H new ATOM 897 N ARG A 57 -7.217 -0.140 -3.224 1.00 2.10 N ATOM 898 CA ARG A 57 -8.158 0.928 -3.503 1.00 2.23 C ATOM 899 C ARG A 57 -7.667 2.212 -2.858 1.00 72.20 C ATOM 900 O ARG A 57 -7.728 2.381 -1.639 1.00 41.52 O ATOM 901 CB ARG A 57 -9.562 0.573 -3.014 1.00 22.45 C ATOM 902 CG ARG A 57 -10.665 1.078 -3.930 1.00 1.13 C ATOM 903 CD ARG A 57 -11.335 2.333 -3.394 1.00 70.10 C ATOM 904 NE ARG A 57 -12.223 2.033 -2.273 1.00 34.00 N ATOM 905 CZ ARG A 57 -13.513 1.721 -2.410 1.00 33.21 C ATOM 906 NH1 ARG A 57 -14.081 1.730 -3.614 1.00 0.41 N ATOM 907 NH2 ARG A 57 -14.236 1.416 -1.340 1.00 74.23 N ATOM 0 H ARG A 57 -6.981 -0.250 -2.238 1.00 2.10 H new ATOM 0 HA ARG A 57 -8.220 1.070 -4.582 1.00 2.23 H new ATOM 0 HB2 ARG A 57 -9.644 -0.510 -2.922 1.00 22.45 H new ATOM 0 HB3 ARG A 57 -9.708 0.990 -2.017 1.00 22.45 H new ATOM 0 HG2 ARG A 57 -10.248 1.285 -4.916 1.00 1.13 H new ATOM 0 HG3 ARG A 57 -11.414 0.296 -4.058 1.00 1.13 H new ATOM 0 HD2 ARG A 57 -10.573 3.045 -3.075 1.00 70.10 H new ATOM 0 HD3 ARG A 57 -11.904 2.811 -4.191 1.00 70.10 H new ATOM 0 HE ARG A 57 -11.834 2.064 -1.331 1.00 34.00 H new ATOM 0 HH11 ARG A 57 -13.530 1.976 -4.436 1.00 0.41 H new ATOM 0 HH12 ARG A 57 -15.067 1.491 -3.714 1.00 0.41 H new ATOM 0 HH21 ARG A 57 -13.805 1.420 -0.415 1.00 74.23 H new ATOM 0 HH22 ARG A 57 -15.222 1.177 -1.442 1.00 74.23 H new ATOM 921 N LEU A 58 -7.155 3.097 -3.689 1.00 74.24 N ATOM 922 CA LEU A 58 -6.556 4.342 -3.236 1.00 44.22 C ATOM 923 C LEU A 58 -6.890 5.458 -4.207 1.00 33.35 C ATOM 924 O LEU A 58 -7.301 5.184 -5.338 1.00 65.20 O ATOM 925 CB LEU A 58 -5.022 4.217 -3.020 1.00 3.23 C ATOM 926 CG LEU A 58 -4.119 3.784 -4.207 1.00 22.11 C ATOM 927 CD1 LEU A 58 -4.511 2.426 -4.761 1.00 33.42 C ATOM 928 CD2 LEU A 58 -4.087 4.829 -5.315 1.00 74.14 C ATOM 0 H LEU A 58 -7.141 2.975 -4.702 1.00 74.24 H new ATOM 0 HA LEU A 58 -6.981 4.583 -2.262 1.00 44.22 H new ATOM 0 HB2 LEU A 58 -4.661 5.184 -2.670 1.00 3.23 H new ATOM 0 HB3 LEU A 58 -4.862 3.505 -2.210 1.00 3.23 H new ATOM 0 HG LEU A 58 -3.110 3.697 -3.803 1.00 22.11 H new ATOM 0 HD11 LEU A 58 -3.851 2.167 -5.589 1.00 33.42 H new ATOM 0 HD12 LEU A 58 -4.422 1.674 -3.977 1.00 33.42 H new ATOM 0 HD13 LEU A 58 -5.541 2.461 -5.115 1.00 33.42 H new ATOM 0 HD21 LEU A 58 -3.443 4.483 -6.123 1.00 74.14 H new ATOM 0 HD22 LEU A 58 -5.096 4.986 -5.697 1.00 74.14 H new ATOM 0 HD23 LEU A 58 -3.699 5.767 -4.919 1.00 74.14 H new ATOM 940 N ARG A 59 -6.769 6.703 -3.738 1.00 12.34 N ATOM 941 CA ARG A 59 -7.039 7.893 -4.552 1.00 64.41 C ATOM 942 C ARG A 59 -8.549 8.069 -4.717 1.00 30.24 C ATOM 943 O ARG A 59 -9.114 9.098 -4.344 1.00 11.41 O ATOM 944 CB ARG A 59 -6.340 7.781 -5.921 1.00 72.11 C ATOM 945 CG ARG A 59 -5.698 9.066 -6.423 1.00 1.24 C ATOM 946 CD ARG A 59 -6.726 10.085 -6.890 1.00 62.34 C ATOM 947 NE ARG A 59 -6.084 11.273 -7.451 1.00 30.45 N ATOM 948 CZ ARG A 59 -6.638 12.482 -7.473 1.00 52.24 C ATOM 949 NH1 ARG A 59 -7.879 12.664 -7.036 1.00 63.34 N ATOM 950 NH2 ARG A 59 -5.953 13.509 -7.959 1.00 33.52 N ATOM 0 H ARG A 59 -6.481 6.915 -2.783 1.00 12.34 H new ATOM 0 HA ARG A 59 -6.639 8.772 -4.047 1.00 64.41 H new ATOM 0 HB2 ARG A 59 -5.572 7.010 -5.858 1.00 72.11 H new ATOM 0 HB3 ARG A 59 -7.069 7.445 -6.658 1.00 72.11 H new ATOM 0 HG2 ARG A 59 -5.094 9.502 -5.627 1.00 1.24 H new ATOM 0 HG3 ARG A 59 -5.022 8.834 -7.245 1.00 1.24 H new ATOM 0 HD2 ARG A 59 -7.375 9.632 -7.640 1.00 62.34 H new ATOM 0 HD3 ARG A 59 -7.360 10.374 -6.052 1.00 62.34 H new ATOM 0 HE ARG A 59 -5.152 11.168 -7.851 1.00 30.45 H new ATOM 0 HH11 ARG A 59 -8.415 11.873 -6.680 1.00 63.34 H new ATOM 0 HH12 ARG A 59 -8.296 13.595 -7.057 1.00 63.34 H new ATOM 0 HH21 ARG A 59 -5.007 13.369 -8.313 1.00 33.52 H new ATOM 0 HH22 ARG A 59 -6.373 14.438 -7.978 1.00 33.52 H new ATOM 964 N GLY A 60 -9.193 7.040 -5.248 1.00 45.34 N ATOM 965 CA GLY A 60 -10.633 7.043 -5.406 1.00 74.12 C ATOM 966 C GLY A 60 -11.121 5.826 -6.168 1.00 64.12 C ATOM 967 O GLY A 60 -12.323 5.645 -6.361 1.00 44.22 O ATOM 0 H GLY A 60 -8.735 6.190 -5.577 1.00 45.34 H new ATOM 0 HA2 GLY A 60 -11.106 7.070 -4.424 1.00 74.12 H new ATOM 0 HA3 GLY A 60 -10.939 7.947 -5.932 1.00 74.12 H new ATOM 971 N TYR A 61 -10.189 4.975 -6.584 1.00 75.34 N ATOM 972 CA TYR A 61 -10.514 3.843 -7.440 1.00 3.54 C ATOM 973 C TYR A 61 -9.698 2.607 -7.084 1.00 33.23 C ATOM 974 O TYR A 61 -8.620 2.701 -6.496 1.00 12.24 O ATOM 975 CB TYR A 61 -10.292 4.215 -8.909 1.00 64.24 C ATOM 976 CG TYR A 61 -9.158 5.195 -9.130 1.00 21.25 C ATOM 977 CD1 TYR A 61 -7.832 4.788 -9.058 1.00 60.43 C ATOM 978 CD2 TYR A 61 -9.420 6.534 -9.398 1.00 0.05 C ATOM 979 CE1 TYR A 61 -6.800 5.686 -9.250 1.00 31.31 C ATOM 980 CE2 TYR A 61 -8.394 7.437 -9.591 1.00 44.10 C ATOM 981 CZ TYR A 61 -7.087 7.008 -9.515 1.00 31.21 C ATOM 982 OH TYR A 61 -6.065 7.904 -9.701 1.00 41.41 O ATOM 0 H TYR A 61 -9.201 5.049 -6.341 1.00 75.34 H new ATOM 0 HA TYR A 61 -11.565 3.600 -7.280 1.00 3.54 H new ATOM 0 HB2 TYR A 61 -10.090 3.307 -9.477 1.00 64.24 H new ATOM 0 HB3 TYR A 61 -11.212 4.643 -9.308 1.00 64.24 H new ATOM 0 HD1 TYR A 61 -7.604 3.753 -8.849 1.00 60.43 H new ATOM 0 HD2 TYR A 61 -10.444 6.873 -9.456 1.00 0.05 H new ATOM 0 HE1 TYR A 61 -5.774 5.354 -9.193 1.00 31.31 H new ATOM 0 HE2 TYR A 61 -8.614 8.473 -9.800 1.00 44.10 H new ATOM 0 HH TYR A 61 -6.438 8.793 -9.879 1.00 41.41 H new ATOM 992 N SER A 62 -10.248 1.451 -7.417 1.00 65.41 N ATOM 993 CA SER A 62 -9.592 0.182 -7.206 1.00 64.24 C ATOM 994 C SER A 62 -8.689 -0.171 -8.387 1.00 73.30 C ATOM 995 O SER A 62 -9.085 -0.021 -9.545 1.00 12.51 O ATOM 996 CB SER A 62 -10.656 -0.893 -7.051 1.00 1.02 C ATOM 997 OG SER A 62 -11.800 -0.390 -6.383 1.00 43.54 O ATOM 0 H SER A 62 -11.171 1.372 -7.845 1.00 65.41 H new ATOM 0 HA SER A 62 -8.975 0.247 -6.310 1.00 64.24 H new ATOM 0 HB2 SER A 62 -10.942 -1.270 -8.033 1.00 1.02 H new ATOM 0 HB3 SER A 62 -10.247 -1.735 -6.493 1.00 1.02 H new ATOM 0 HG SER A 62 -12.469 -1.101 -6.298 1.00 43.54 H new ATOM 1003 N LEU A 63 -7.490 -0.644 -8.088 1.00 43.34 N ATOM 1004 CA LEU A 63 -6.558 -1.109 -9.109 1.00 52.43 C ATOM 1005 C LEU A 63 -5.504 -2.019 -8.485 1.00 30.54 C ATOM 1006 O LEU A 63 -5.273 -1.977 -7.276 1.00 41.41 O ATOM 1007 CB LEU A 63 -5.907 0.071 -9.856 1.00 22.34 C ATOM 1008 CG LEU A 63 -5.639 1.338 -9.032 1.00 23.55 C ATOM 1009 CD1 LEU A 63 -4.603 1.086 -7.951 1.00 0.24 C ATOM 1010 CD2 LEU A 63 -5.188 2.467 -9.946 1.00 2.40 C ATOM 0 H LEU A 63 -7.134 -0.717 -7.135 1.00 43.34 H new ATOM 0 HA LEU A 63 -7.118 -1.685 -9.846 1.00 52.43 H new ATOM 0 HB2 LEU A 63 -4.960 -0.271 -10.275 1.00 22.34 H new ATOM 0 HB3 LEU A 63 -6.548 0.339 -10.696 1.00 22.34 H new ATOM 0 HG LEU A 63 -6.568 1.626 -8.540 1.00 23.55 H new ATOM 0 HD11 LEU A 63 -4.436 2.003 -7.386 1.00 0.24 H new ATOM 0 HD12 LEU A 63 -4.961 0.306 -7.279 1.00 0.24 H new ATOM 0 HD13 LEU A 63 -3.667 0.768 -8.411 1.00 0.24 H new ATOM 0 HD21 LEU A 63 -5.000 3.362 -9.353 1.00 2.40 H new ATOM 0 HD22 LEU A 63 -4.273 2.174 -10.461 1.00 2.40 H new ATOM 0 HD23 LEU A 63 -5.967 2.675 -10.679 1.00 2.40 H new ATOM 1022 N SER A 64 -4.880 -2.850 -9.301 1.00 52.04 N ATOM 1023 CA SER A 64 -3.909 -3.806 -8.800 1.00 73.42 C ATOM 1024 C SER A 64 -2.482 -3.352 -9.074 1.00 55.11 C ATOM 1025 O SER A 64 -2.097 -3.094 -10.217 1.00 1.34 O ATOM 1026 CB SER A 64 -4.146 -5.186 -9.414 1.00 64.12 C ATOM 1027 OG SER A 64 -3.279 -6.157 -8.851 1.00 33.32 O ATOM 0 H SER A 64 -5.028 -2.882 -10.310 1.00 52.04 H new ATOM 0 HA SER A 64 -4.041 -3.869 -7.720 1.00 73.42 H new ATOM 0 HB2 SER A 64 -5.182 -5.484 -9.254 1.00 64.12 H new ATOM 0 HB3 SER A 64 -3.991 -5.138 -10.492 1.00 64.12 H new ATOM 0 HG SER A 64 -3.085 -5.922 -7.920 1.00 33.32 H new ATOM 1033 N LEU A 65 -1.712 -3.261 -8.005 1.00 73.35 N ATOM 1034 CA LEU A 65 -0.290 -2.969 -8.088 1.00 55.31 C ATOM 1035 C LEU A 65 0.488 -4.194 -7.643 1.00 51.33 C ATOM 1036 O LEU A 65 -0.042 -5.043 -6.926 1.00 70.45 O ATOM 1037 CB LEU A 65 0.092 -1.760 -7.220 1.00 43.43 C ATOM 1038 CG LEU A 65 0.026 -0.392 -7.911 1.00 3.32 C ATOM 1039 CD1 LEU A 65 0.959 -0.350 -9.112 1.00 14.44 C ATOM 1040 CD2 LEU A 65 -1.396 -0.062 -8.331 1.00 21.04 C ATOM 0 H LEU A 65 -2.054 -3.387 -7.053 1.00 73.35 H new ATOM 0 HA LEU A 65 -0.045 -2.720 -9.121 1.00 55.31 H new ATOM 0 HB2 LEU A 65 -0.566 -1.739 -6.351 1.00 43.43 H new ATOM 0 HB3 LEU A 65 1.106 -1.909 -6.849 1.00 43.43 H new ATOM 0 HG LEU A 65 0.352 0.362 -7.194 1.00 3.32 H new ATOM 0 HD11 LEU A 65 0.896 0.629 -9.587 1.00 14.44 H new ATOM 0 HD12 LEU A 65 1.983 -0.529 -8.784 1.00 14.44 H new ATOM 0 HD13 LEU A 65 0.667 -1.120 -9.827 1.00 14.44 H new ATOM 0 HD21 LEU A 65 -1.415 0.913 -8.818 1.00 21.04 H new ATOM 0 HD22 LEU A 65 -1.756 -0.821 -9.025 1.00 21.04 H new ATOM 0 HD23 LEU A 65 -2.039 -0.040 -7.451 1.00 21.04 H new ATOM 1052 N ARG A 66 1.736 -4.293 -8.057 1.00 2.42 N ATOM 1053 CA ARG A 66 2.527 -5.473 -7.761 1.00 1.30 C ATOM 1054 C ARG A 66 3.198 -5.338 -6.404 1.00 44.51 C ATOM 1055 O ARG A 66 3.359 -4.231 -5.880 1.00 54.54 O ATOM 1056 CB ARG A 66 3.584 -5.713 -8.847 1.00 73.14 C ATOM 1057 CG ARG A 66 3.028 -6.197 -10.185 1.00 73.45 C ATOM 1058 CD ARG A 66 2.164 -5.144 -10.866 1.00 2.31 C ATOM 1059 NE ARG A 66 1.869 -5.488 -12.256 1.00 23.33 N ATOM 1060 CZ ARG A 66 0.667 -5.368 -12.819 1.00 61.51 C ATOM 1061 NH1 ARG A 66 -0.375 -4.972 -12.096 1.00 2.45 N ATOM 1062 NH2 ARG A 66 0.506 -5.655 -14.105 1.00 73.13 N ATOM 0 H ARG A 66 2.222 -3.576 -8.596 1.00 2.42 H new ATOM 0 HA ARG A 66 1.854 -6.330 -7.739 1.00 1.30 H new ATOM 0 HB2 ARG A 66 4.133 -4.786 -9.011 1.00 73.14 H new ATOM 0 HB3 ARG A 66 4.301 -6.447 -8.480 1.00 73.14 H new ATOM 0 HG2 ARG A 66 3.854 -6.467 -10.843 1.00 73.45 H new ATOM 0 HG3 ARG A 66 2.439 -7.100 -10.026 1.00 73.45 H new ATOM 0 HD2 ARG A 66 1.230 -5.031 -10.315 1.00 2.31 H new ATOM 0 HD3 ARG A 66 2.673 -4.181 -10.832 1.00 2.31 H new ATOM 0 HE ARG A 66 2.632 -5.843 -12.832 1.00 23.33 H new ATOM 0 HH11 ARG A 66 -0.257 -4.758 -11.106 1.00 2.45 H new ATOM 0 HH12 ARG A 66 -1.293 -4.882 -12.531 1.00 2.45 H new ATOM 0 HH21 ARG A 66 1.302 -5.967 -14.661 1.00 73.13 H new ATOM 0 HH22 ARG A 66 -0.414 -5.563 -14.537 1.00 73.13 H new ATOM 1076 N LYS A 67 3.582 -6.471 -5.839 1.00 70.03 N ATOM 1077 CA LYS A 67 4.305 -6.501 -4.578 1.00 32.25 C ATOM 1078 C LYS A 67 5.611 -5.714 -4.704 1.00 33.11 C ATOM 1079 O LYS A 67 6.105 -5.152 -3.728 1.00 72.11 O ATOM 1080 CB LYS A 67 4.557 -7.964 -4.174 1.00 61.14 C ATOM 1081 CG LYS A 67 5.341 -8.159 -2.880 1.00 22.20 C ATOM 1082 CD LYS A 67 6.845 -8.138 -3.117 1.00 10.43 C ATOM 1083 CE LYS A 67 7.278 -9.224 -4.092 1.00 74.20 C ATOM 1084 NZ LYS A 67 8.731 -9.147 -4.393 1.00 50.33 N ATOM 0 H LYS A 67 3.402 -7.392 -6.239 1.00 70.03 H new ATOM 0 HA LYS A 67 3.713 -6.027 -3.795 1.00 32.25 H new ATOM 0 HB2 LYS A 67 3.595 -8.467 -4.076 1.00 61.14 H new ATOM 0 HB3 LYS A 67 5.094 -8.459 -4.983 1.00 61.14 H new ATOM 0 HG2 LYS A 67 5.074 -7.374 -2.172 1.00 22.20 H new ATOM 0 HG3 LYS A 67 5.059 -9.108 -2.424 1.00 22.20 H new ATOM 0 HD2 LYS A 67 7.138 -7.163 -3.505 1.00 10.43 H new ATOM 0 HD3 LYS A 67 7.365 -8.273 -2.168 1.00 10.43 H new ATOM 0 HE2 LYS A 67 7.045 -10.203 -3.673 1.00 74.20 H new ATOM 0 HE3 LYS A 67 6.710 -9.130 -5.017 1.00 74.20 H new ATOM 0 HZ1 LYS A 67 8.988 -9.902 -5.060 1.00 50.33 H new ATOM 0 HZ2 LYS A 67 8.949 -8.222 -4.816 1.00 50.33 H new ATOM 0 HZ3 LYS A 67 9.274 -9.262 -3.514 1.00 50.33 H new ATOM 1098 N SER A 68 6.154 -5.671 -5.917 1.00 60.01 N ATOM 1099 CA SER A 68 7.360 -4.902 -6.196 1.00 50.12 C ATOM 1100 C SER A 68 7.158 -3.416 -5.876 1.00 20.03 C ATOM 1101 O SER A 68 7.996 -2.801 -5.213 1.00 51.31 O ATOM 1102 CB SER A 68 7.765 -5.087 -7.659 1.00 23.22 C ATOM 1103 OG SER A 68 7.961 -6.462 -7.956 1.00 50.24 O ATOM 0 H SER A 68 5.774 -6.163 -6.726 1.00 60.01 H new ATOM 0 HA SER A 68 8.160 -5.271 -5.555 1.00 50.12 H new ATOM 0 HB2 SER A 68 6.993 -4.676 -8.310 1.00 23.22 H new ATOM 0 HB3 SER A 68 8.681 -4.532 -7.861 1.00 23.22 H new ATOM 0 HG SER A 68 8.218 -6.560 -8.897 1.00 50.24 H new ATOM 1109 N GLU A 69 6.037 -2.849 -6.327 1.00 24.32 N ATOM 1110 CA GLU A 69 5.712 -1.456 -6.019 1.00 61.13 C ATOM 1111 C GLU A 69 5.401 -1.303 -4.536 1.00 24.23 C ATOM 1112 O GLU A 69 5.840 -0.355 -3.888 1.00 43.32 O ATOM 1113 CB GLU A 69 4.517 -0.954 -6.841 1.00 70.02 C ATOM 1114 CG GLU A 69 4.803 -0.766 -8.323 1.00 70.02 C ATOM 1115 CD GLU A 69 4.761 -2.059 -9.106 1.00 74.14 C ATOM 1116 OE1 GLU A 69 3.654 -2.591 -9.311 1.00 52.02 O ATOM 1117 OE2 GLU A 69 5.827 -2.526 -9.555 1.00 23.43 O ATOM 0 H GLU A 69 5.345 -3.329 -6.902 1.00 24.32 H new ATOM 0 HA GLU A 69 6.583 -0.855 -6.280 1.00 61.13 H new ATOM 0 HB2 GLU A 69 3.694 -1.660 -6.730 1.00 70.02 H new ATOM 0 HB3 GLU A 69 4.180 -0.004 -6.426 1.00 70.02 H new ATOM 0 HG2 GLU A 69 4.075 -0.071 -8.742 1.00 70.02 H new ATOM 0 HG3 GLU A 69 5.785 -0.308 -8.442 1.00 70.02 H new ATOM 1124 N ALA A 70 4.654 -2.263 -4.003 1.00 22.32 N ATOM 1125 CA ALA A 70 4.272 -2.268 -2.596 1.00 60.34 C ATOM 1126 C ALA A 70 5.500 -2.342 -1.687 1.00 55.44 C ATOM 1127 O ALA A 70 5.442 -1.985 -0.510 1.00 11.23 O ATOM 1128 CB ALA A 70 3.329 -3.430 -2.316 1.00 65.34 C ATOM 0 H ALA A 70 4.297 -3.058 -4.533 1.00 22.32 H new ATOM 0 HA ALA A 70 3.756 -1.332 -2.380 1.00 60.34 H new ATOM 0 HB1 ALA A 70 3.049 -3.426 -1.263 1.00 65.34 H new ATOM 0 HB2 ALA A 70 2.434 -3.328 -2.930 1.00 65.34 H new ATOM 0 HB3 ALA A 70 3.828 -4.369 -2.555 1.00 65.34 H new ATOM 1134 N LYS A 71 6.608 -2.823 -2.233 1.00 64.23 N ATOM 1135 CA LYS A 71 7.839 -2.959 -1.469 1.00 43.12 C ATOM 1136 C LYS A 71 8.557 -1.615 -1.348 1.00 32.24 C ATOM 1137 O LYS A 71 9.406 -1.429 -0.474 1.00 72.33 O ATOM 1138 CB LYS A 71 8.757 -3.993 -2.129 1.00 73.42 C ATOM 1139 CG LYS A 71 9.886 -4.457 -1.230 1.00 55.12 C ATOM 1140 CD LYS A 71 10.843 -5.373 -1.964 1.00 60.12 C ATOM 1141 CE LYS A 71 11.896 -5.935 -1.027 1.00 31.52 C ATOM 1142 NZ LYS A 71 12.643 -4.866 -0.310 1.00 15.52 N ATOM 0 H LYS A 71 6.679 -3.126 -3.204 1.00 64.23 H new ATOM 0 HA LYS A 71 7.584 -3.300 -0.466 1.00 43.12 H new ATOM 0 HB2 LYS A 71 8.163 -4.856 -2.429 1.00 73.42 H new ATOM 0 HB3 LYS A 71 9.179 -3.565 -3.038 1.00 73.42 H new ATOM 0 HG2 LYS A 71 10.429 -3.591 -0.851 1.00 55.12 H new ATOM 0 HG3 LYS A 71 9.473 -4.978 -0.366 1.00 55.12 H new ATOM 0 HD2 LYS A 71 10.287 -6.191 -2.423 1.00 60.12 H new ATOM 0 HD3 LYS A 71 11.327 -4.824 -2.772 1.00 60.12 H new ATOM 0 HE2 LYS A 71 11.419 -6.592 -0.300 1.00 31.52 H new ATOM 0 HE3 LYS A 71 12.597 -6.546 -1.596 1.00 31.52 H new ATOM 0 HZ1 LYS A 71 13.457 -5.283 0.185 1.00 15.52 H new ATOM 0 HZ2 LYS A 71 12.979 -4.159 -0.994 1.00 15.52 H new ATOM 0 HZ3 LYS A 71 12.015 -4.408 0.381 1.00 15.52 H new ATOM 1156 N ASP A 72 8.202 -0.679 -2.219 1.00 0.42 N ATOM 1157 CA ASP A 72 8.848 0.633 -2.242 1.00 61.23 C ATOM 1158 C ASP A 72 8.017 1.654 -1.469 1.00 43.20 C ATOM 1159 O ASP A 72 8.463 2.769 -1.202 1.00 33.14 O ATOM 1160 CB ASP A 72 9.048 1.094 -3.689 1.00 42.32 C ATOM 1161 CG ASP A 72 10.174 2.094 -3.829 1.00 74.41 C ATOM 1162 OD1 ASP A 72 11.346 1.652 -3.889 1.00 43.41 O ATOM 1163 OD2 ASP A 72 9.898 3.307 -3.888 1.00 50.34 O ATOM 0 H ASP A 72 7.471 -0.801 -2.920 1.00 0.42 H new ATOM 0 HA ASP A 72 9.822 0.550 -1.761 1.00 61.23 H new ATOM 0 HB2 ASP A 72 9.256 0.228 -4.317 1.00 42.32 H new ATOM 0 HB3 ASP A 72 8.123 1.539 -4.056 1.00 42.32 H new ATOM 1168 N ILE A 73 6.804 1.258 -1.101 1.00 63.31 N ATOM 1169 CA ILE A 73 5.906 2.128 -0.354 1.00 2.14 C ATOM 1170 C ILE A 73 5.992 1.828 1.140 1.00 13.34 C ATOM 1171 O ILE A 73 5.746 0.698 1.566 1.00 54.24 O ATOM 1172 CB ILE A 73 4.440 1.961 -0.813 1.00 70.24 C ATOM 1173 CG1 ILE A 73 4.327 2.163 -2.325 1.00 74.24 C ATOM 1174 CG2 ILE A 73 3.537 2.948 -0.083 1.00 70.12 C ATOM 1175 CD1 ILE A 73 2.940 1.908 -2.878 1.00 0.05 C ATOM 0 H ILE A 73 6.420 0.336 -1.309 1.00 63.31 H new ATOM 0 HA ILE A 73 6.220 3.154 -0.546 1.00 2.14 H new ATOM 0 HB ILE A 73 4.118 0.948 -0.571 1.00 70.24 H new ATOM 0 HG12 ILE A 73 4.622 3.184 -2.568 1.00 74.24 H new ATOM 0 HG13 ILE A 73 5.034 1.500 -2.824 1.00 74.24 H new ATOM 0 HG21 ILE A 73 2.508 2.817 -0.418 1.00 70.12 H new ATOM 0 HG22 ILE A 73 3.594 2.768 0.991 1.00 70.12 H new ATOM 0 HG23 ILE A 73 3.862 3.966 -0.298 1.00 70.12 H new ATOM 0 HD11 ILE A 73 2.942 2.072 -3.956 1.00 0.05 H new ATOM 0 HD12 ILE A 73 2.648 0.879 -2.668 1.00 0.05 H new ATOM 0 HD13 ILE A 73 2.230 2.589 -2.409 1.00 0.05 H new ATOM 1187 N LEU A 74 6.335 2.839 1.927 1.00 40.42 N ATOM 1188 CA LEU A 74 6.419 2.692 3.371 1.00 61.45 C ATOM 1189 C LEU A 74 5.150 3.234 4.022 1.00 22.02 C ATOM 1190 O LEU A 74 4.835 4.420 3.898 1.00 54.51 O ATOM 1191 CB LEU A 74 7.642 3.435 3.905 1.00 24.35 C ATOM 1192 CG LEU A 74 8.989 2.948 3.365 1.00 42.01 C ATOM 1193 CD1 LEU A 74 10.118 3.811 3.907 1.00 21.34 C ATOM 1194 CD2 LEU A 74 9.215 1.489 3.731 1.00 33.15 C ATOM 0 H LEU A 74 6.560 3.774 1.586 1.00 40.42 H new ATOM 0 HA LEU A 74 6.519 1.634 3.614 1.00 61.45 H new ATOM 0 HB2 LEU A 74 7.536 4.494 3.669 1.00 24.35 H new ATOM 0 HB3 LEU A 74 7.653 3.350 4.992 1.00 24.35 H new ATOM 0 HG LEU A 74 8.976 3.032 2.278 1.00 42.01 H new ATOM 0 HD11 LEU A 74 11.070 3.453 3.515 1.00 21.34 H new ATOM 0 HD12 LEU A 74 9.965 4.846 3.600 1.00 21.34 H new ATOM 0 HD13 LEU A 74 10.130 3.754 4.995 1.00 21.34 H new ATOM 0 HD21 LEU A 74 10.177 1.160 3.339 1.00 33.15 H new ATOM 0 HD22 LEU A 74 9.209 1.381 4.816 1.00 33.15 H new ATOM 0 HD23 LEU A 74 8.421 0.879 3.301 1.00 33.15 H new ATOM 1206 N VAL A 75 4.428 2.366 4.716 1.00 31.32 N ATOM 1207 CA VAL A 75 3.131 2.725 5.273 1.00 11.23 C ATOM 1208 C VAL A 75 3.058 2.491 6.779 1.00 63.41 C ATOM 1209 O VAL A 75 3.839 1.723 7.350 1.00 65.40 O ATOM 1210 CB VAL A 75 1.992 1.933 4.595 1.00 34.41 C ATOM 1211 CG1 VAL A 75 1.849 2.337 3.136 1.00 12.33 C ATOM 1212 CG2 VAL A 75 2.231 0.433 4.714 1.00 23.30 C ATOM 0 H VAL A 75 4.718 1.407 4.907 1.00 31.32 H new ATOM 0 HA VAL A 75 3.008 3.791 5.080 1.00 11.23 H new ATOM 0 HB VAL A 75 1.061 2.172 5.109 1.00 34.41 H new ATOM 0 HG11 VAL A 75 1.041 1.767 2.678 1.00 12.33 H new ATOM 0 HG12 VAL A 75 1.622 3.401 3.074 1.00 12.33 H new ATOM 0 HG13 VAL A 75 2.781 2.133 2.609 1.00 12.33 H new ATOM 0 HG21 VAL A 75 1.416 -0.105 4.229 1.00 23.30 H new ATOM 0 HG22 VAL A 75 3.174 0.175 4.231 1.00 23.30 H new ATOM 0 HG23 VAL A 75 2.274 0.154 5.767 1.00 23.30 H new ATOM 1222 N GLU A 76 2.113 3.172 7.411 1.00 52.54 N ATOM 1223 CA GLU A 76 1.850 3.005 8.831 1.00 32.43 C ATOM 1224 C GLU A 76 0.493 2.350 9.039 1.00 54.13 C ATOM 1225 O GLU A 76 -0.473 2.676 8.347 1.00 11.40 O ATOM 1226 CB GLU A 76 1.903 4.357 9.552 1.00 61.40 C ATOM 1227 CG GLU A 76 1.047 5.437 8.903 1.00 60.14 C ATOM 1228 CD GLU A 76 1.107 6.757 9.645 1.00 24.23 C ATOM 1229 OE1 GLU A 76 2.161 7.422 9.607 1.00 40.35 O ATOM 1230 OE2 GLU A 76 0.104 7.132 10.286 1.00 31.11 O ATOM 0 H GLU A 76 1.508 3.855 6.954 1.00 52.54 H new ATOM 0 HA GLU A 76 2.621 2.360 9.252 1.00 32.43 H new ATOM 0 HB2 GLU A 76 1.578 4.221 10.583 1.00 61.40 H new ATOM 0 HB3 GLU A 76 2.937 4.699 9.586 1.00 61.40 H new ATOM 0 HG2 GLU A 76 1.377 5.588 7.875 1.00 60.14 H new ATOM 0 HG3 GLU A 76 0.012 5.097 8.859 1.00 60.14 H new ATOM 1237 N VAL A 77 0.426 1.420 9.979 1.00 71.31 N ATOM 1238 CA VAL A 77 -0.818 0.722 10.268 1.00 12.33 C ATOM 1239 C VAL A 77 -1.766 1.631 11.044 1.00 23.13 C ATOM 1240 O VAL A 77 -1.421 2.126 12.120 1.00 3.05 O ATOM 1241 CB VAL A 77 -0.568 -0.574 11.071 1.00 44.34 C ATOM 1242 CG1 VAL A 77 -1.864 -1.344 11.278 1.00 32.24 C ATOM 1243 CG2 VAL A 77 0.466 -1.444 10.374 1.00 72.25 C ATOM 0 H VAL A 77 1.217 1.131 10.554 1.00 71.31 H new ATOM 0 HA VAL A 77 -1.272 0.450 9.315 1.00 12.33 H new ATOM 0 HB VAL A 77 -0.180 -0.295 12.051 1.00 44.34 H new ATOM 0 HG11 VAL A 77 -1.661 -2.252 11.846 1.00 32.24 H new ATOM 0 HG12 VAL A 77 -2.572 -0.723 11.827 1.00 32.24 H new ATOM 0 HG13 VAL A 77 -2.288 -1.609 10.310 1.00 32.24 H new ATOM 0 HG21 VAL A 77 0.628 -2.352 10.955 1.00 72.25 H new ATOM 0 HG22 VAL A 77 0.108 -1.709 9.379 1.00 72.25 H new ATOM 0 HG23 VAL A 77 1.404 -0.896 10.288 1.00 72.25 H new ATOM 1253 N LEU A 78 -2.947 1.865 10.487 1.00 65.10 N ATOM 1254 CA LEU A 78 -3.917 2.753 11.113 1.00 42.42 C ATOM 1255 C LEU A 78 -4.974 1.969 11.872 1.00 3.21 C ATOM 1256 O LEU A 78 -5.583 2.467 12.819 1.00 71.34 O ATOM 1257 CB LEU A 78 -4.592 3.629 10.055 1.00 2.23 C ATOM 1258 CG LEU A 78 -3.648 4.497 9.221 1.00 10.32 C ATOM 1259 CD1 LEU A 78 -4.425 5.234 8.143 1.00 63.13 C ATOM 1260 CD2 LEU A 78 -2.901 5.484 10.108 1.00 2.25 C ATOM 0 H LEU A 78 -3.255 1.454 9.606 1.00 65.10 H new ATOM 0 HA LEU A 78 -3.380 3.384 11.822 1.00 42.42 H new ATOM 0 HB2 LEU A 78 -5.156 2.985 9.381 1.00 2.23 H new ATOM 0 HB3 LEU A 78 -5.312 4.279 10.552 1.00 2.23 H new ATOM 0 HG LEU A 78 -2.916 3.848 8.741 1.00 10.32 H new ATOM 0 HD11 LEU A 78 -3.741 5.848 7.557 1.00 63.13 H new ATOM 0 HD12 LEU A 78 -4.915 4.512 7.490 1.00 63.13 H new ATOM 0 HD13 LEU A 78 -5.177 5.871 8.608 1.00 63.13 H new ATOM 0 HD21 LEU A 78 -2.235 6.092 9.495 1.00 2.25 H new ATOM 0 HD22 LEU A 78 -3.617 6.130 10.617 1.00 2.25 H new ATOM 0 HD23 LEU A 78 -2.316 4.938 10.848 1.00 2.25 H new