USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 MET CE :methyl 172:sc=-0.000716 (180deg=0) USER MOD Set 1.2: A 54 MET CE :methyl 173:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -149:sc= -0.32 (180deg=-1.54!) USER MOD Single : A 4 LYS NZ :NH3+ 158:sc= -0.142 (180deg=-0.378) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.23) USER MOD Single : A 30 MET CE :methyl -177:sc= 0 (180deg=-0.0178) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0775 X(o=-0.077,f=0) USER MOD Single : A 42 MET CE :methyl -165:sc= -0.564 (180deg=-0.842) USER MOD Single : A 44 ASN : amide:sc= -0.103 K(o=-0.1,f=-9.1!) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= 1.14 (180deg=0.929) USER MOD Single : A 51 TYR OH : rot 169:sc= 0 USER MOD Single : A 58 THR OG1 : rot -90:sc= -0.0334 USER MOD Single : A 62 ASN : amide:sc=-0.00867 X(o=-0.0087,f=-0.48) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0488 USER MOD Single : A 73 LYS NZ :NH3+ 154:sc= -1.15 (180deg=-3.61!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N LYS A 2 3.836 -8.133 8.425 1.00 0.00 N ATOM 32 CA LYS A 2 2.823 -7.143 8.108 1.00 0.00 C ATOM 33 C LYS A 2 3.212 -6.515 6.777 1.00 0.00 C ATOM 34 O LYS A 2 4.208 -5.791 6.727 1.00 0.00 O ATOM 35 CB LYS A 2 2.708 -6.069 9.194 1.00 0.00 C ATOM 36 CG LYS A 2 1.382 -5.319 8.984 1.00 0.00 C ATOM 37 CD LYS A 2 0.161 -6.026 9.596 1.00 0.00 C ATOM 38 CE LYS A 2 0.033 -5.823 11.113 1.00 0.00 C ATOM 39 NZ LYS A 2 0.897 -6.716 11.917 1.00 0.00 N ATOM 0 HA LYS A 2 1.846 -7.623 8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.735 -6.524 10.184 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.549 -5.378 9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.467 -4.323 9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.215 -5.188 7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.743 -5.658 9.111 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.225 -7.093 9.384 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.276 -4.788 11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.005 -5.982 11.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.434 -6.921 12.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.054 -7.605 11.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.811 -6.251 12.091 1.00 0.00 H new ATOM 53 N VAL A 3 2.488 -6.807 5.704 1.00 0.00 N ATOM 54 CA VAL A 3 2.672 -6.105 4.449 1.00 0.00 C ATOM 55 C VAL A 3 2.025 -4.728 4.606 1.00 0.00 C ATOM 56 O VAL A 3 0.809 -4.651 4.775 1.00 0.00 O ATOM 57 CB VAL A 3 2.097 -6.925 3.268 1.00 0.00 C ATOM 58 CG1 VAL A 3 2.766 -6.546 1.940 1.00 0.00 C ATOM 59 CG2 VAL A 3 2.278 -8.440 3.433 1.00 0.00 C ATOM 0 H VAL A 3 1.767 -7.528 5.682 1.00 0.00 H new ATOM 0 HA VAL A 3 3.728 -5.975 4.213 1.00 0.00 H new ATOM 0 HB VAL A 3 1.034 -6.683 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.337 -7.141 1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.600 -5.488 1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.837 -6.739 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.853 -8.953 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.340 -8.674 3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.770 -8.771 4.339 1.00 0.00 H new ATOM 69 N LYS A 4 2.829 -3.660 4.641 1.00 0.00 N ATOM 70 CA LYS A 4 2.372 -2.285 4.846 1.00 0.00 C ATOM 71 C LYS A 4 2.014 -1.629 3.520 1.00 0.00 C ATOM 72 O LYS A 4 2.644 -0.642 3.149 1.00 0.00 O ATOM 73 CB LYS A 4 3.474 -1.477 5.566 1.00 0.00 C ATOM 74 CG LYS A 4 3.979 -2.101 6.869 1.00 0.00 C ATOM 75 CD LYS A 4 2.882 -2.525 7.849 1.00 0.00 C ATOM 76 CE LYS A 4 2.228 -1.442 8.722 1.00 0.00 C ATOM 77 NZ LYS A 4 1.783 -0.223 8.014 1.00 0.00 N ATOM 0 H LYS A 4 3.840 -3.732 4.525 1.00 0.00 H new ATOM 0 HA LYS A 4 1.475 -2.301 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.318 -1.355 4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.091 -0.479 5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.585 -2.973 6.626 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.634 -1.386 7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.093 -3.011 7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.303 -3.279 8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.367 -1.880 9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.937 -1.150 9.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.052 0.258 8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.593 0.416 7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.390 -0.484 7.087 1.00 0.00 H new ATOM 91 N ILE A 5 1.030 -2.154 2.792 1.00 0.00 N ATOM 92 CA ILE A 5 0.682 -1.545 1.519 1.00 0.00 C ATOM 93 C ILE A 5 0.092 -0.166 1.804 1.00 0.00 C ATOM 94 O ILE A 5 -0.758 -0.005 2.686 1.00 0.00 O ATOM 95 CB ILE A 5 -0.256 -2.426 0.675 1.00 0.00 C ATOM 96 CG1 ILE A 5 0.361 -3.818 0.406 1.00 0.00 C ATOM 97 CG2 ILE A 5 -0.597 -1.775 -0.677 1.00 0.00 C ATOM 98 CD1 ILE A 5 -0.271 -4.896 1.286 1.00 0.00 C ATOM 0 H ILE A 5 0.479 -2.972 3.053 1.00 0.00 H new ATOM 0 HA ILE A 5 1.579 -1.440 0.909 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.169 -2.537 1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.226 -4.079 -0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.435 -3.782 0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.261 -2.431 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.091 -0.819 -0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.320 -1.613 -1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.189 -5.860 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.113 -4.648 2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.341 -4.950 1.083 1.00 0.00 H new ATOM 110 N GLU A 6 0.509 0.826 1.022 1.00 0.00 N ATOM 111 CA GLU A 6 -0.053 2.168 1.065 1.00 0.00 C ATOM 112 C GLU A 6 -0.226 2.638 -0.373 1.00 0.00 C ATOM 113 O GLU A 6 0.576 2.302 -1.249 1.00 0.00 O ATOM 114 CB GLU A 6 0.795 3.112 1.943 1.00 0.00 C ATOM 115 CG GLU A 6 0.784 2.603 3.400 1.00 0.00 C ATOM 116 CD GLU A 6 0.975 3.623 4.514 1.00 0.00 C ATOM 117 OE1 GLU A 6 0.886 4.845 4.272 1.00 0.00 O ATOM 118 OE2 GLU A 6 1.069 3.157 5.678 1.00 0.00 O ATOM 0 H GLU A 6 1.254 0.717 0.334 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.031 2.170 1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.818 3.154 1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.397 4.126 1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.166 2.097 3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.567 1.851 3.497 1.00 0.00 H new ATOM 125 N LEU A 7 -1.327 3.343 -0.632 1.00 0.00 N ATOM 126 CA LEU A 7 -1.881 3.495 -1.971 1.00 0.00 C ATOM 127 C LEU A 7 -2.144 4.982 -2.225 1.00 0.00 C ATOM 128 O LEU A 7 -3.257 5.461 -2.000 1.00 0.00 O ATOM 129 CB LEU A 7 -3.156 2.626 -2.027 1.00 0.00 C ATOM 130 CG LEU A 7 -3.627 2.145 -3.408 1.00 0.00 C ATOM 131 CD1 LEU A 7 -3.608 3.242 -4.469 1.00 0.00 C ATOM 132 CD2 LEU A 7 -2.824 0.926 -3.859 1.00 0.00 C ATOM 0 H LEU A 7 -1.861 3.827 0.089 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.204 3.162 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.992 1.748 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.969 3.192 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.672 1.856 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.952 2.835 -5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.266 4.055 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.592 3.621 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.174 0.602 -4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.768 1.188 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.957 0.117 -3.141 1.00 0.00 H new ATOM 144 N PHE A 8 -1.122 5.715 -2.670 1.00 0.00 N ATOM 145 CA PHE A 8 -1.070 7.173 -2.679 1.00 0.00 C ATOM 146 C PHE A 8 -1.178 7.671 -4.132 1.00 0.00 C ATOM 147 O PHE A 8 -0.180 7.861 -4.832 1.00 0.00 O ATOM 148 CB PHE A 8 0.176 7.612 -1.887 1.00 0.00 C ATOM 149 CG PHE A 8 0.164 9.011 -1.309 1.00 0.00 C ATOM 150 CD1 PHE A 8 0.282 10.131 -2.149 1.00 0.00 C ATOM 151 CD2 PHE A 8 0.149 9.188 0.088 1.00 0.00 C ATOM 152 CE1 PHE A 8 0.360 11.418 -1.591 1.00 0.00 C ATOM 153 CE2 PHE A 8 0.227 10.477 0.644 1.00 0.00 C ATOM 154 CZ PHE A 8 0.337 11.596 -0.198 1.00 0.00 C ATOM 0 H PHE A 8 -0.276 5.290 -3.048 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.913 7.642 -2.171 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.322 6.908 -1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.043 7.523 -2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.313 10.003 -3.221 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.077 8.328 0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.438 12.278 -2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.202 10.607 1.716 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.404 12.588 0.224 1.00 0.00 H new ATOM 164 N THR A 9 -2.410 7.796 -4.639 1.00 0.00 N ATOM 165 CA THR A 9 -2.697 7.994 -6.072 1.00 0.00 C ATOM 166 C THR A 9 -3.814 9.026 -6.274 1.00 0.00 C ATOM 167 O THR A 9 -4.328 9.541 -5.293 1.00 0.00 O ATOM 168 CB THR A 9 -3.041 6.640 -6.718 1.00 0.00 C ATOM 169 OG1 THR A 9 -4.139 6.028 -6.066 1.00 0.00 O ATOM 170 CG2 THR A 9 -1.880 5.656 -6.661 1.00 0.00 C ATOM 0 H THR A 9 -3.250 7.763 -4.061 1.00 0.00 H new ATOM 0 HA THR A 9 -1.810 8.394 -6.564 1.00 0.00 H new ATOM 0 HB THR A 9 -3.279 6.865 -7.758 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.338 5.170 -6.496 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.175 4.717 -7.130 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.023 6.073 -7.191 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.609 5.473 -5.621 1.00 0.00 H new ATOM 178 N SER A 10 -4.240 9.348 -7.500 1.00 0.00 N ATOM 179 CA SER A 10 -5.444 10.162 -7.684 1.00 0.00 C ATOM 180 C SER A 10 -6.131 9.791 -9.002 1.00 0.00 C ATOM 181 O SER A 10 -6.064 10.543 -9.974 1.00 0.00 O ATOM 182 CB SER A 10 -5.078 11.646 -7.576 1.00 0.00 C ATOM 183 OG SER A 10 -6.181 12.416 -7.138 1.00 0.00 O ATOM 0 H SER A 10 -3.779 9.063 -8.364 1.00 0.00 H new ATOM 0 HA SER A 10 -6.170 9.960 -6.896 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.247 11.768 -6.881 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.739 12.011 -8.546 1.00 0.00 H new ATOM 0 HG SER A 10 -5.918 13.358 -7.077 1.00 0.00 H new ATOM 274 N PRO A 17 -11.450 -0.761 -8.489 1.00 0.00 N ATOM 275 CA PRO A 17 -11.057 -1.136 -7.142 1.00 0.00 C ATOM 276 C PRO A 17 -9.532 -1.013 -7.083 1.00 0.00 C ATOM 277 O PRO A 17 -8.834 -1.807 -7.708 1.00 0.00 O ATOM 278 CB PRO A 17 -11.565 -2.568 -6.933 1.00 0.00 C ATOM 279 CG PRO A 17 -11.875 -3.113 -8.326 1.00 0.00 C ATOM 280 CD PRO A 17 -12.001 -1.886 -9.223 1.00 0.00 C ATOM 0 HA PRO A 17 -11.471 -0.511 -6.351 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.814 -3.179 -6.433 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -12.455 -2.578 -6.303 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.082 -3.774 -8.674 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -12.797 -3.694 -8.324 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.462 -2.036 -10.159 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -13.044 -1.703 -9.481 1.00 0.00 H new ATOM 288 N ALA A 18 -9.015 0.023 -6.421 1.00 0.00 N ATOM 289 CA ALA A 18 -7.596 0.349 -6.426 1.00 0.00 C ATOM 290 C ALA A 18 -6.948 -0.388 -5.259 1.00 0.00 C ATOM 291 O ALA A 18 -6.514 -1.534 -5.392 1.00 0.00 O ATOM 292 CB ALA A 18 -7.421 1.875 -6.352 1.00 0.00 C ATOM 0 H ALA A 18 -9.579 0.663 -5.862 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.106 0.028 -7.345 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.359 2.120 -6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.903 2.339 -7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.877 2.249 -5.435 1.00 0.00 H new ATOM 298 N ALA A 19 -6.983 0.240 -4.081 1.00 0.00 N ATOM 299 CA ALA A 19 -6.611 -0.381 -2.826 1.00 0.00 C ATOM 300 C ALA A 19 -7.349 -1.711 -2.664 1.00 0.00 C ATOM 301 O ALA A 19 -6.706 -2.691 -2.323 1.00 0.00 O ATOM 302 CB ALA A 19 -6.907 0.598 -1.695 1.00 0.00 C ATOM 0 H ALA A 19 -7.277 1.211 -3.981 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.546 -0.611 -2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.633 0.146 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.330 1.511 -1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.970 0.838 -1.690 1.00 0.00 H new ATOM 308 N LYS A 20 -8.635 -1.793 -3.023 1.00 0.00 N ATOM 309 CA LYS A 20 -9.394 -3.048 -3.044 1.00 0.00 C ATOM 310 C LYS A 20 -8.708 -4.166 -3.839 1.00 0.00 C ATOM 311 O LYS A 20 -8.685 -5.298 -3.362 1.00 0.00 O ATOM 312 CB LYS A 20 -10.797 -2.786 -3.603 1.00 0.00 C ATOM 313 CG LYS A 20 -11.834 -2.413 -2.538 1.00 0.00 C ATOM 314 CD LYS A 20 -12.456 -3.641 -1.857 1.00 0.00 C ATOM 315 CE LYS A 20 -13.807 -3.247 -1.244 1.00 0.00 C ATOM 316 NZ LYS A 20 -14.701 -4.408 -1.075 1.00 0.00 N ATOM 0 H LYS A 20 -9.183 -0.982 -3.310 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.453 -3.401 -2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.740 -1.982 -4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.138 -3.676 -4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.362 -1.784 -1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.624 -1.820 -2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.592 -4.444 -2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.788 -4.020 -1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.641 -2.774 -0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.291 -2.507 -1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.601 -4.095 -0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.882 -4.845 -2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.251 -5.104 -0.446 1.00 0.00 H new ATOM 330 N ARG A 21 -8.172 -3.905 -5.039 1.00 0.00 N ATOM 331 CA ARG A 21 -7.441 -4.954 -5.754 1.00 0.00 C ATOM 332 C ARG A 21 -6.156 -5.274 -5.031 1.00 0.00 C ATOM 333 O ARG A 21 -5.825 -6.445 -4.930 1.00 0.00 O ATOM 334 CB ARG A 21 -7.096 -4.576 -7.197 1.00 0.00 C ATOM 335 CG ARG A 21 -8.271 -4.870 -8.128 1.00 0.00 C ATOM 336 CD ARG A 21 -7.920 -4.399 -9.549 1.00 0.00 C ATOM 337 NE ARG A 21 -9.007 -4.628 -10.518 1.00 0.00 N ATOM 338 CZ ARG A 21 -9.371 -5.808 -11.032 1.00 0.00 C ATOM 339 NH1 ARG A 21 -8.799 -6.938 -10.631 1.00 0.00 N ATOM 340 NH2 ARG A 21 -10.318 -5.838 -11.961 1.00 0.00 N ATOM 0 H ARG A 21 -8.228 -3.007 -5.520 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.106 -5.817 -5.783 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.840 -3.518 -7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.218 -5.133 -7.524 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.491 -5.938 -8.130 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.167 -4.361 -7.774 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.681 -3.336 -9.524 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.024 -4.919 -9.887 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.531 -3.809 -10.826 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.069 -6.915 -9.919 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.090 -7.828 -11.035 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.755 -4.970 -12.272 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.609 -6.729 -12.364 1.00 0.00 H new ATOM 354 N VAL A 22 -5.411 -4.275 -4.566 1.00 0.00 N ATOM 355 CA VAL A 22 -4.117 -4.564 -3.958 1.00 0.00 C ATOM 356 C VAL A 22 -4.305 -5.322 -2.623 1.00 0.00 C ATOM 357 O VAL A 22 -3.502 -6.203 -2.322 1.00 0.00 O ATOM 358 CB VAL A 22 -3.272 -3.279 -3.875 1.00 0.00 C ATOM 359 CG1 VAL A 22 -1.816 -3.597 -3.513 1.00 0.00 C ATOM 360 CG2 VAL A 22 -3.203 -2.535 -5.226 1.00 0.00 C ATOM 0 H VAL A 22 -5.670 -3.289 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.540 -5.244 -4.585 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.759 -2.666 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.243 -2.671 -3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.783 -4.098 -2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.386 -4.248 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.596 -1.636 -5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.755 -3.185 -5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.209 -2.257 -5.540 1.00 0.00 H new ATOM 370 N VAL A 23 -5.390 -5.061 -1.881 1.00 0.00 N ATOM 371 CA VAL A 23 -5.890 -5.883 -0.782 1.00 0.00 C ATOM 372 C VAL A 23 -6.050 -7.300 -1.298 1.00 0.00 C ATOM 373 O VAL A 23 -5.398 -8.195 -0.776 1.00 0.00 O ATOM 374 CB VAL A 23 -7.231 -5.328 -0.226 1.00 0.00 C ATOM 375 CG1 VAL A 23 -8.003 -6.322 0.654 1.00 0.00 C ATOM 376 CG2 VAL A 23 -7.068 -4.056 0.605 1.00 0.00 C ATOM 0 H VAL A 23 -5.965 -4.234 -2.041 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.183 -5.867 0.048 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.792 -5.121 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.926 -5.859 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.241 -7.213 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.391 -6.600 1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.044 -3.726 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.421 -4.259 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.622 -3.274 -0.010 1.00 0.00 H new ATOM 386 N GLU A 24 -6.919 -7.518 -2.288 1.00 0.00 N ATOM 387 CA GLU A 24 -7.297 -8.866 -2.670 1.00 0.00 C ATOM 388 C GLU A 24 -6.095 -9.649 -3.224 1.00 0.00 C ATOM 389 O GLU A 24 -5.954 -10.848 -2.962 1.00 0.00 O ATOM 390 CB GLU A 24 -8.490 -8.812 -3.641 1.00 0.00 C ATOM 391 CG GLU A 24 -9.115 -10.212 -3.677 1.00 0.00 C ATOM 392 CD GLU A 24 -10.486 -10.334 -4.340 1.00 0.00 C ATOM 393 OE1 GLU A 24 -11.215 -9.334 -4.526 1.00 0.00 O ATOM 394 OE2 GLU A 24 -10.853 -11.498 -4.631 1.00 0.00 O ATOM 0 H GLU A 24 -7.367 -6.780 -2.831 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.621 -9.418 -1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.221 -8.074 -3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.162 -8.512 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.426 -10.879 -4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.199 -10.574 -2.652 1.00 0.00 H new ATOM 401 N GLU A 25 -5.208 -8.958 -3.943 1.00 0.00 N ATOM 402 CA GLU A 25 -3.999 -9.519 -4.505 1.00 0.00 C ATOM 403 C GLU A 25 -3.088 -10.015 -3.395 1.00 0.00 C ATOM 404 O GLU A 25 -2.653 -11.163 -3.434 1.00 0.00 O ATOM 405 CB GLU A 25 -3.262 -8.505 -5.400 1.00 0.00 C ATOM 406 CG GLU A 25 -2.049 -9.162 -6.091 1.00 0.00 C ATOM 407 CD GLU A 25 -2.477 -10.010 -7.296 1.00 0.00 C ATOM 408 OE1 GLU A 25 -3.336 -10.914 -7.150 1.00 0.00 O ATOM 409 OE2 GLU A 25 -1.987 -9.780 -8.420 1.00 0.00 O ATOM 0 H GLU A 25 -5.323 -7.966 -4.150 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.283 -10.362 -5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.946 -8.113 -6.152 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.929 -7.658 -4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.353 -8.389 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.517 -9.788 -5.375 1.00 0.00 H new ATOM 416 N VAL A 26 -2.778 -9.165 -2.415 1.00 0.00 N ATOM 417 CA VAL A 26 -1.929 -9.586 -1.315 1.00 0.00 C ATOM 418 C VAL A 26 -2.674 -10.633 -0.488 1.00 0.00 C ATOM 419 O VAL A 26 -2.047 -11.589 -0.053 1.00 0.00 O ATOM 420 CB VAL A 26 -1.456 -8.367 -0.504 1.00 0.00 C ATOM 421 CG1 VAL A 26 -0.641 -8.783 0.732 1.00 0.00 C ATOM 422 CG2 VAL A 26 -0.566 -7.480 -1.390 1.00 0.00 C ATOM 0 H VAL A 26 -3.099 -8.198 -2.365 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.019 -10.058 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.344 -7.829 -0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.326 -7.893 1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.256 -9.407 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.238 -9.345 0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.229 -6.615 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.299 -8.052 -1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.136 -7.143 -2.256 1.00 0.00 H new ATOM 432 N ALA A 27 -3.993 -10.525 -0.313 1.00 0.00 N ATOM 433 CA ALA A 27 -4.786 -11.481 0.442 1.00 0.00 C ATOM 434 C ALA A 27 -4.779 -12.871 -0.195 1.00 0.00 C ATOM 435 O ALA A 27 -4.962 -13.855 0.520 1.00 0.00 O ATOM 436 CB ALA A 27 -6.225 -10.987 0.577 1.00 0.00 C ATOM 0 H ALA A 27 -4.542 -9.758 -0.700 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.330 -11.565 1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.807 -11.713 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.234 -10.029 1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.663 -10.866 -0.414 1.00 0.00 H new ATOM 442 N ASN A 28 -4.554 -12.992 -1.509 1.00 0.00 N ATOM 443 CA ASN A 28 -4.289 -14.297 -2.133 1.00 0.00 C ATOM 444 C ASN A 28 -3.162 -15.033 -1.410 1.00 0.00 C ATOM 445 O ASN A 28 -3.191 -16.258 -1.288 1.00 0.00 O ATOM 446 CB ASN A 28 -3.864 -14.163 -3.605 1.00 0.00 C ATOM 447 CG ASN A 28 -5.009 -13.786 -4.531 1.00 0.00 C ATOM 448 OD1 ASN A 28 -6.085 -14.379 -4.469 1.00 0.00 O ATOM 449 ND2 ASN A 28 -4.822 -12.842 -5.434 1.00 0.00 N ATOM 0 H ASN A 28 -4.550 -12.206 -2.160 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.226 -14.851 -2.066 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.081 -13.409 -3.682 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.432 -15.107 -3.938 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.571 -12.602 -6.083 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.928 -12.352 -5.482 1.00 0.00 H new ATOM 456 N GLU A 29 -2.151 -14.290 -0.975 1.00 0.00 N ATOM 457 CA GLU A 29 -0.861 -14.791 -0.545 1.00 0.00 C ATOM 458 C GLU A 29 -0.775 -14.726 0.983 1.00 0.00 C ATOM 459 O GLU A 29 -0.574 -15.745 1.643 1.00 0.00 O ATOM 460 CB GLU A 29 0.210 -13.949 -1.263 1.00 0.00 C ATOM 461 CG GLU A 29 1.431 -14.770 -1.666 1.00 0.00 C ATOM 462 CD GLU A 29 2.273 -15.220 -0.476 1.00 0.00 C ATOM 463 OE1 GLU A 29 2.976 -14.371 0.117 1.00 0.00 O ATOM 464 OE2 GLU A 29 2.230 -16.427 -0.146 1.00 0.00 O ATOM 0 H GLU A 29 -2.217 -13.274 -0.911 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.706 -15.837 -0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.227 -13.494 -2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.524 -13.135 -0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.103 -15.648 -2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.052 -14.179 -2.339 1.00 0.00 H new ATOM 471 N MET A 30 -1.000 -13.542 1.549 1.00 0.00 N ATOM 472 CA MET A 30 -1.023 -13.225 2.966 1.00 0.00 C ATOM 473 C MET A 30 -2.424 -12.734 3.333 1.00 0.00 C ATOM 474 O MET A 30 -2.614 -11.530 3.497 1.00 0.00 O ATOM 475 CB MET A 30 0.058 -12.181 3.295 1.00 0.00 C ATOM 476 CG MET A 30 1.448 -12.761 3.035 1.00 0.00 C ATOM 477 SD MET A 30 2.803 -11.684 3.531 1.00 0.00 S ATOM 478 CE MET A 30 4.152 -12.688 2.879 1.00 0.00 C ATOM 0 H MET A 30 -1.185 -12.717 0.978 1.00 0.00 H new ATOM 0 HA MET A 30 -0.799 -14.112 3.558 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.091 -11.288 2.687 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.027 -11.875 4.338 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.539 -13.708 3.566 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.544 -12.981 1.972 1.00 0.00 H new ATOM 0 HE1 MET A 30 5.105 -12.222 3.128 1.00 0.00 H new ATOM 0 HE2 MET A 30 4.109 -13.685 3.318 1.00 0.00 H new ATOM 0 HE3 MET A 30 4.058 -12.765 1.796 1.00 0.00 H new ATOM 488 N PRO A 31 -3.410 -13.626 3.526 1.00 0.00 N ATOM 489 CA PRO A 31 -4.771 -13.279 3.949 1.00 0.00 C ATOM 490 C PRO A 31 -4.835 -12.786 5.408 1.00 0.00 C ATOM 491 O PRO A 31 -5.859 -12.953 6.069 1.00 0.00 O ATOM 492 CB PRO A 31 -5.587 -14.563 3.727 1.00 0.00 C ATOM 493 CG PRO A 31 -4.556 -15.660 3.947 1.00 0.00 C ATOM 494 CD PRO A 31 -3.293 -15.066 3.344 1.00 0.00 C ATOM 0 HA PRO A 31 -5.167 -12.441 3.376 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.417 -14.641 4.429 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.013 -14.603 2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.429 -15.889 5.005 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.842 -16.588 3.452 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.403 -15.452 3.840 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.205 -15.322 2.288 1.00 0.00 H new ATOM 502 N ASP A 32 -3.760 -12.213 5.953 1.00 0.00 N ATOM 503 CA ASP A 32 -3.671 -11.850 7.363 1.00 0.00 C ATOM 504 C ASP A 32 -2.784 -10.631 7.550 1.00 0.00 C ATOM 505 O ASP A 32 -3.242 -9.606 8.049 1.00 0.00 O ATOM 506 CB ASP A 32 -3.139 -13.020 8.189 1.00 0.00 C ATOM 507 CG ASP A 32 -3.169 -12.648 9.668 1.00 0.00 C ATOM 508 OD1 ASP A 32 -4.266 -12.321 10.178 1.00 0.00 O ATOM 509 OD2 ASP A 32 -2.119 -12.729 10.337 1.00 0.00 O ATOM 0 H ASP A 32 -2.920 -11.987 5.420 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.674 -11.606 7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.745 -13.909 8.014 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.121 -13.262 7.884 1.00 0.00 H new ATOM 514 N ALA A 33 -1.533 -10.702 7.095 1.00 0.00 N ATOM 515 CA ALA A 33 -0.550 -9.629 7.225 1.00 0.00 C ATOM 516 C ALA A 33 -0.891 -8.370 6.402 1.00 0.00 C ATOM 517 O ALA A 33 -0.111 -7.425 6.405 1.00 0.00 O ATOM 518 CB ALA A 33 0.810 -10.191 6.794 1.00 0.00 C ATOM 0 H ALA A 33 -1.168 -11.525 6.616 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.542 -9.302 8.265 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.569 -9.413 6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.077 -11.030 7.436 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.752 -10.530 5.760 1.00 0.00 H new ATOM 524 N VAL A 34 -1.983 -8.382 5.643 1.00 0.00 N ATOM 525 CA VAL A 34 -2.331 -7.453 4.581 1.00 0.00 C ATOM 526 C VAL A 34 -2.938 -6.151 5.145 1.00 0.00 C ATOM 527 O VAL A 34 -4.158 -6.028 5.286 1.00 0.00 O ATOM 528 CB VAL A 34 -3.192 -8.252 3.568 1.00 0.00 C ATOM 529 CG1 VAL A 34 -4.418 -8.975 4.160 1.00 0.00 C ATOM 530 CG2 VAL A 34 -3.616 -7.407 2.362 1.00 0.00 C ATOM 0 H VAL A 34 -2.700 -9.097 5.767 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.465 -7.073 4.039 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.512 -9.038 3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.948 -9.502 3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.090 -9.691 4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.084 -8.245 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.216 -8.015 1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.204 -6.555 2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.729 -7.049 1.839 1.00 0.00 H new ATOM 540 N GLU A 35 -2.092 -5.168 5.477 1.00 0.00 N ATOM 541 CA GLU A 35 -2.510 -3.818 5.854 1.00 0.00 C ATOM 542 C GLU A 35 -2.503 -2.960 4.586 1.00 0.00 C ATOM 543 O GLU A 35 -1.482 -2.928 3.902 1.00 0.00 O ATOM 544 CB GLU A 35 -1.542 -3.262 6.915 1.00 0.00 C ATOM 545 CG GLU A 35 -1.919 -1.871 7.445 1.00 0.00 C ATOM 546 CD GLU A 35 -3.156 -1.912 8.343 1.00 0.00 C ATOM 547 OE1 GLU A 35 -4.297 -1.884 7.822 1.00 0.00 O ATOM 548 OE2 GLU A 35 -3.002 -1.989 9.583 1.00 0.00 O ATOM 0 H GLU A 35 -1.080 -5.294 5.490 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.511 -3.816 6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.500 -3.958 7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.540 -3.216 6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.080 -1.457 8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.104 -1.202 6.605 1.00 0.00 H new ATOM 555 N VAL A 36 -3.609 -2.287 4.240 1.00 0.00 N ATOM 556 CA VAL A 36 -3.699 -1.502 3.005 1.00 0.00 C ATOM 557 C VAL A 36 -4.366 -0.153 3.265 1.00 0.00 C ATOM 558 O VAL A 36 -5.589 -0.086 3.417 1.00 0.00 O ATOM 559 CB VAL A 36 -4.403 -2.280 1.875 1.00 0.00 C ATOM 560 CG1 VAL A 36 -4.195 -1.550 0.534 1.00 0.00 C ATOM 561 CG2 VAL A 36 -3.909 -3.729 1.763 1.00 0.00 C ATOM 0 H VAL A 36 -4.459 -2.272 4.804 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.682 -1.311 2.663 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.464 -2.320 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.694 -2.103 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.615 -0.546 0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.129 -1.484 0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.437 -4.232 0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.839 -3.734 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.100 -4.252 2.700 1.00 0.00 H new ATOM 571 N GLU A 37 -3.591 0.930 3.288 1.00 0.00 N ATOM 572 CA GLU A 37 -4.134 2.276 3.407 1.00 0.00 C ATOM 573 C GLU A 37 -4.435 2.809 2.011 1.00 0.00 C ATOM 574 O GLU A 37 -3.517 2.920 1.195 1.00 0.00 O ATOM 575 CB GLU A 37 -3.132 3.176 4.139 1.00 0.00 C ATOM 576 CG GLU A 37 -2.983 2.796 5.619 1.00 0.00 C ATOM 577 CD GLU A 37 -4.213 3.230 6.418 1.00 0.00 C ATOM 578 OE1 GLU A 37 -4.260 4.430 6.785 1.00 0.00 O ATOM 579 OE2 GLU A 37 -5.134 2.414 6.654 1.00 0.00 O ATOM 0 H GLU A 37 -2.574 0.896 3.225 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.057 2.262 3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.161 3.109 3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.456 4.214 4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.846 1.719 5.710 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.091 3.267 6.032 1.00 0.00 H new ATOM 586 N TYR A 38 -5.699 3.136 1.718 1.00 0.00 N ATOM 587 CA TYR A 38 -6.041 3.933 0.549 1.00 0.00 C ATOM 588 C TYR A 38 -5.979 5.401 0.928 1.00 0.00 C ATOM 589 O TYR A 38 -6.696 5.834 1.834 1.00 0.00 O ATOM 590 CB TYR A 38 -7.428 3.602 -0.024 1.00 0.00 C ATOM 591 CG TYR A 38 -7.716 4.164 -1.421 1.00 0.00 C ATOM 592 CD1 TYR A 38 -6.698 4.405 -2.371 1.00 0.00 C ATOM 593 CD2 TYR A 38 -9.046 4.433 -1.789 1.00 0.00 C ATOM 594 CE1 TYR A 38 -6.995 4.892 -3.654 1.00 0.00 C ATOM 595 CE2 TYR A 38 -9.354 4.935 -3.068 1.00 0.00 C ATOM 596 CZ TYR A 38 -8.330 5.166 -4.008 1.00 0.00 C ATOM 597 OH TYR A 38 -8.627 5.638 -5.250 1.00 0.00 O ATOM 0 H TYR A 38 -6.501 2.856 2.282 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.320 3.698 -0.234 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.539 2.518 -0.057 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.185 3.979 0.663 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.670 4.210 -2.105 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.842 4.252 -1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.201 5.056 -4.368 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.381 5.144 -3.330 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.595 5.772 -5.326 1.00 0.00 H new ATOM 607 N ILE A 39 -5.156 6.174 0.226 1.00 0.00 N ATOM 608 CA ILE A 39 -5.129 7.625 0.364 1.00 0.00 C ATOM 609 C ILE A 39 -5.043 8.236 -1.026 1.00 0.00 C ATOM 610 O ILE A 39 -3.967 8.283 -1.615 1.00 0.00 O ATOM 611 CB ILE A 39 -4.015 8.121 1.321 1.00 0.00 C ATOM 612 CG1 ILE A 39 -2.597 7.516 1.167 1.00 0.00 C ATOM 613 CG2 ILE A 39 -4.484 8.033 2.780 1.00 0.00 C ATOM 614 CD1 ILE A 39 -2.341 6.075 1.643 1.00 0.00 C ATOM 0 H ILE A 39 -4.489 5.811 -0.455 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.051 7.958 0.841 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.868 9.154 1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.332 7.565 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.903 8.166 1.700 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.690 8.385 3.439 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.370 8.653 2.915 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.725 6.998 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.299 5.811 1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.553 6.001 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.989 5.390 1.096 1.00 0.00 H new ATOM 626 N ASN A 40 -6.167 8.684 -1.593 1.00 0.00 N ATOM 627 CA ASN A 40 -6.021 9.524 -2.775 1.00 0.00 C ATOM 628 C ASN A 40 -5.418 10.866 -2.361 1.00 0.00 C ATOM 629 O ASN A 40 -5.658 11.345 -1.252 1.00 0.00 O ATOM 630 CB ASN A 40 -7.278 9.689 -3.641 1.00 0.00 C ATOM 631 CG ASN A 40 -8.385 10.481 -2.967 1.00 0.00 C ATOM 632 OD1 ASN A 40 -9.184 9.899 -2.236 1.00 0.00 O ATOM 633 ND2 ASN A 40 -8.488 11.776 -3.203 1.00 0.00 N ATOM 0 H ASN A 40 -7.119 8.496 -1.280 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.343 8.995 -3.445 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.004 10.185 -4.572 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.658 8.702 -3.905 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.242 12.314 -2.775 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.814 12.238 -3.813 1.00 0.00 H new ATOM 640 N VAL A 41 -4.656 11.471 -3.271 1.00 0.00 N ATOM 641 CA VAL A 41 -4.084 12.804 -3.147 1.00 0.00 C ATOM 642 C VAL A 41 -5.250 13.739 -2.821 1.00 0.00 C ATOM 643 O VAL A 41 -6.235 13.760 -3.569 1.00 0.00 O ATOM 644 CB VAL A 41 -3.352 13.156 -4.463 1.00 0.00 C ATOM 645 CG1 VAL A 41 -2.792 14.580 -4.549 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.179 12.195 -4.730 1.00 0.00 C ATOM 0 H VAL A 41 -4.412 11.022 -4.154 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.338 12.888 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.139 13.063 -5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.300 14.720 -5.511 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.606 15.298 -4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.071 14.737 -3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.687 12.472 -5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.464 12.257 -3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.555 11.175 -4.807 1.00 0.00 H new ATOM 656 N MET A 42 -5.169 14.472 -1.707 1.00 0.00 N ATOM 657 CA MET A 42 -6.286 15.157 -1.057 1.00 0.00 C ATOM 658 C MET A 42 -5.730 15.904 0.162 1.00 0.00 C ATOM 659 O MET A 42 -5.217 17.009 -0.022 1.00 0.00 O ATOM 660 CB MET A 42 -7.417 14.161 -0.700 1.00 0.00 C ATOM 661 CG MET A 42 -8.775 14.836 -0.476 1.00 0.00 C ATOM 662 SD MET A 42 -9.896 14.825 -1.911 1.00 0.00 S ATOM 663 CE MET A 42 -9.008 15.884 -3.085 1.00 0.00 C ATOM 0 H MET A 42 -4.286 14.609 -1.214 1.00 0.00 H new ATOM 0 HA MET A 42 -6.745 15.881 -1.730 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.512 13.428 -1.501 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.138 13.614 0.201 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.274 14.343 0.358 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.603 15.870 -0.178 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.682 16.182 -3.888 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.643 16.772 -2.569 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.165 15.335 -3.504 1.00 0.00 H new ATOM 673 N GLU A 43 -5.749 15.343 1.378 1.00 0.00 N ATOM 674 CA GLU A 43 -5.088 15.950 2.538 1.00 0.00 C ATOM 675 C GLU A 43 -3.569 15.999 2.327 1.00 0.00 C ATOM 676 O GLU A 43 -2.924 16.973 2.721 1.00 0.00 O ATOM 677 CB GLU A 43 -5.431 15.156 3.809 1.00 0.00 C ATOM 678 CG GLU A 43 -4.716 15.724 5.044 1.00 0.00 C ATOM 679 CD GLU A 43 -5.044 14.968 6.325 1.00 0.00 C ATOM 680 OE1 GLU A 43 -4.968 13.719 6.337 1.00 0.00 O ATOM 681 OE2 GLU A 43 -5.232 15.637 7.369 1.00 0.00 O ATOM 0 H GLU A 43 -6.220 14.462 1.584 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.448 16.972 2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.509 15.176 3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.149 14.112 3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.639 15.695 4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.992 16.771 5.167 1.00 0.00 H new ATOM 688 N ASN A 44 -3.021 14.963 1.680 1.00 0.00 N ATOM 689 CA ASN A 44 -1.595 14.739 1.450 1.00 0.00 C ATOM 690 C ASN A 44 -0.798 14.783 2.765 1.00 0.00 C ATOM 691 O ASN A 44 -0.171 15.803 3.056 1.00 0.00 O ATOM 692 CB ASN A 44 -1.055 15.706 0.375 1.00 0.00 C ATOM 693 CG ASN A 44 -1.181 15.110 -1.013 1.00 0.00 C ATOM 694 OD1 ASN A 44 -2.277 14.733 -1.406 1.00 0.00 O ATOM 695 ND2 ASN A 44 -0.099 15.015 -1.776 1.00 0.00 N ATOM 0 H ASN A 44 -3.595 14.220 1.282 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.461 13.731 1.056 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.603 16.647 0.420 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.010 15.936 0.581 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.169 14.620 -2.714 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.803 15.337 -1.424 1.00 0.00 H new ATOM 702 N PRO A 45 -0.805 13.705 3.577 1.00 0.00 N ATOM 703 CA PRO A 45 0.027 13.605 4.777 1.00 0.00 C ATOM 704 C PRO A 45 1.510 13.419 4.414 1.00 0.00 C ATOM 705 O PRO A 45 1.827 12.863 3.356 1.00 0.00 O ATOM 706 CB PRO A 45 -0.498 12.380 5.524 1.00 0.00 C ATOM 707 CG PRO A 45 -1.002 11.484 4.400 1.00 0.00 C ATOM 708 CD PRO A 45 -1.596 12.491 3.416 1.00 0.00 C ATOM 0 HA PRO A 45 -0.028 14.512 5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.286 11.895 6.106 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.295 12.642 6.220 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.196 10.904 3.950 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.748 10.772 4.752 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.541 12.119 2.393 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.648 12.677 3.631 1.00 0.00 H new ATOM 716 N GLN A 46 2.426 13.770 5.329 1.00 0.00 N ATOM 717 CA GLN A 46 3.863 13.635 5.076 1.00 0.00 C ATOM 718 C GLN A 46 4.275 12.175 4.927 1.00 0.00 C ATOM 719 O GLN A 46 5.321 11.910 4.352 1.00 0.00 O ATOM 720 CB GLN A 46 4.746 14.241 6.177 1.00 0.00 C ATOM 721 CG GLN A 46 4.576 15.741 6.429 1.00 0.00 C ATOM 722 CD GLN A 46 5.378 16.591 5.445 1.00 0.00 C ATOM 723 OE1 GLN A 46 5.308 16.417 4.231 1.00 0.00 O ATOM 724 NE2 GLN A 46 6.150 17.543 5.943 1.00 0.00 N ATOM 0 H GLN A 46 2.195 14.148 6.248 1.00 0.00 H new ATOM 0 HA GLN A 46 4.022 14.186 4.149 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.544 13.712 7.108 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.789 14.052 5.923 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.520 16.002 6.354 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.890 15.974 7.446 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.203 17.681 6.952 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.693 18.139 5.318 1.00 0.00 H new ATOM 733 N LYS A 47 3.480 11.223 5.424 1.00 0.00 N ATOM 734 CA LYS A 47 3.885 9.824 5.500 1.00 0.00 C ATOM 735 C LYS A 47 4.352 9.243 4.165 1.00 0.00 C ATOM 736 O LYS A 47 5.196 8.352 4.191 1.00 0.00 O ATOM 737 CB LYS A 47 2.809 8.980 6.208 1.00 0.00 C ATOM 738 CG LYS A 47 1.375 9.034 5.671 1.00 0.00 C ATOM 739 CD LYS A 47 1.120 8.324 4.336 1.00 0.00 C ATOM 740 CE LYS A 47 -0.347 7.907 4.162 1.00 0.00 C ATOM 741 NZ LYS A 47 -0.732 6.820 5.086 1.00 0.00 N ATOM 0 H LYS A 47 2.542 11.403 5.783 1.00 0.00 H new ATOM 0 HA LYS A 47 4.780 9.782 6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.134 7.940 6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.784 9.283 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.713 8.600 6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.090 10.080 5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.406 8.984 3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.755 7.441 4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.991 8.770 4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.511 7.583 3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.630 6.399 4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.009 6.090 5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.847 7.204 6.046 1.00 0.00 H new ATOM 755 N ALA A 48 3.814 9.679 3.018 1.00 0.00 N ATOM 756 CA ALA A 48 4.442 9.442 1.718 1.00 0.00 C ATOM 757 C ALA A 48 5.386 10.564 1.283 1.00 0.00 C ATOM 758 O ALA A 48 6.414 10.312 0.667 1.00 0.00 O ATOM 759 CB ALA A 48 3.392 9.175 0.646 1.00 0.00 C ATOM 0 H ALA A 48 2.939 10.201 2.968 1.00 0.00 H new ATOM 0 HA ALA A 48 5.060 8.553 1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.885 9.002 -0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.809 8.295 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.730 10.037 0.563 1.00 0.00 H new ATOM 765 N MET A 49 5.002 11.823 1.514 1.00 0.00 N ATOM 766 CA MET A 49 5.717 12.988 0.988 1.00 0.00 C ATOM 767 C MET A 49 7.123 13.154 1.577 1.00 0.00 C ATOM 768 O MET A 49 7.926 13.925 1.053 1.00 0.00 O ATOM 769 CB MET A 49 4.879 14.257 1.179 1.00 0.00 C ATOM 770 CG MET A 49 3.538 14.104 0.453 1.00 0.00 C ATOM 771 SD MET A 49 2.594 15.626 0.229 1.00 0.00 S ATOM 772 CE MET A 49 3.494 16.370 -1.155 1.00 0.00 C ATOM 0 H MET A 49 4.183 12.063 2.073 1.00 0.00 H new ATOM 0 HA MET A 49 5.862 12.815 -0.078 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.710 14.437 2.241 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.417 15.122 0.791 1.00 0.00 H new ATOM 0 HG2 MET A 49 3.724 13.665 -0.527 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.924 13.395 1.008 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.954 17.248 -1.510 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.490 16.666 -0.825 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.581 15.645 -1.964 1.00 0.00 H new ATOM 782 N GLU A 50 7.446 12.424 2.638 1.00 0.00 N ATOM 783 CA GLU A 50 8.774 12.287 3.202 1.00 0.00 C ATOM 784 C GLU A 50 9.737 11.551 2.253 1.00 0.00 C ATOM 785 O GLU A 50 10.952 11.683 2.405 1.00 0.00 O ATOM 786 CB GLU A 50 8.662 11.561 4.548 1.00 0.00 C ATOM 787 CG GLU A 50 8.184 10.105 4.411 1.00 0.00 C ATOM 788 CD GLU A 50 7.925 9.445 5.765 1.00 0.00 C ATOM 789 OE1 GLU A 50 7.339 10.081 6.669 1.00 0.00 O ATOM 790 OE2 GLU A 50 8.374 8.292 5.960 1.00 0.00 O ATOM 0 H GLU A 50 6.748 11.885 3.151 1.00 0.00 H new ATOM 0 HA GLU A 50 9.196 13.281 3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.633 11.573 5.042 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.970 12.105 5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.270 10.080 3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.933 9.530 3.867 1.00 0.00 H new ATOM 797 N TYR A 51 9.240 10.774 1.283 1.00 0.00 N ATOM 798 CA TYR A 51 10.081 10.078 0.310 1.00 0.00 C ATOM 799 C TYR A 51 10.568 11.071 -0.759 1.00 0.00 C ATOM 800 O TYR A 51 10.125 12.225 -0.801 1.00 0.00 O ATOM 801 CB TYR A 51 9.317 8.900 -0.326 1.00 0.00 C ATOM 802 CG TYR A 51 8.516 7.991 0.597 1.00 0.00 C ATOM 803 CD1 TYR A 51 8.966 7.683 1.895 1.00 0.00 C ATOM 804 CD2 TYR A 51 7.295 7.450 0.142 1.00 0.00 C ATOM 805 CE1 TYR A 51 8.188 6.879 2.745 1.00 0.00 C ATOM 806 CE2 TYR A 51 6.514 6.637 0.983 1.00 0.00 C ATOM 807 CZ TYR A 51 6.955 6.355 2.296 1.00 0.00 C ATOM 808 OH TYR A 51 6.237 5.515 3.090 1.00 0.00 O ATOM 0 H TYR A 51 8.241 10.612 1.153 1.00 0.00 H new ATOM 0 HA TYR A 51 10.951 9.666 0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.633 9.307 -1.071 1.00 0.00 H new ATOM 0 HB3 TYR A 51 10.039 8.282 -0.860 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.915 8.067 2.239 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.957 7.662 -0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.534 6.661 3.745 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.580 6.229 0.626 1.00 0.00 H new ATOM 0 HH TYR A 51 5.344 5.387 2.707 1.00 0.00 H new ATOM 818 N GLY A 52 11.477 10.638 -1.633 1.00 0.00 N ATOM 819 CA GLY A 52 12.029 11.461 -2.699 1.00 0.00 C ATOM 820 C GLY A 52 11.059 11.542 -3.871 1.00 0.00 C ATOM 821 O GLY A 52 10.497 12.607 -4.119 1.00 0.00 O ATOM 0 H GLY A 52 11.854 9.690 -1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.237 12.462 -2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 52 12.978 11.043 -3.034 1.00 0.00 H new ATOM 825 N ILE A 53 10.821 10.442 -4.589 1.00 0.00 N ATOM 826 CA ILE A 53 9.891 10.383 -5.713 1.00 0.00 C ATOM 827 C ILE A 53 8.514 10.003 -5.175 1.00 0.00 C ATOM 828 O ILE A 53 8.040 8.868 -5.269 1.00 0.00 O ATOM 829 CB ILE A 53 10.445 9.545 -6.886 1.00 0.00 C ATOM 830 CG1 ILE A 53 9.501 9.704 -8.097 1.00 0.00 C ATOM 831 CG2 ILE A 53 10.721 8.061 -6.583 1.00 0.00 C ATOM 832 CD1 ILE A 53 10.198 9.401 -9.425 1.00 0.00 C ATOM 0 H ILE A 53 11.280 9.551 -4.399 1.00 0.00 H new ATOM 0 HA ILE A 53 9.769 11.358 -6.184 1.00 0.00 H new ATOM 0 HB ILE A 53 11.436 9.944 -7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.647 9.037 -7.978 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.111 10.722 -8.119 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.106 7.573 -7.478 1.00 0.00 H new ATOM 0 HG22 ILE A 53 11.456 7.984 -5.782 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.796 7.575 -6.274 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.490 9.528 -10.244 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.036 10.085 -9.560 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.565 8.375 -9.418 1.00 0.00 H new ATOM 844 N MET A 54 7.900 10.993 -4.540 1.00 0.00 N ATOM 845 CA MET A 54 6.659 10.877 -3.779 1.00 0.00 C ATOM 846 C MET A 54 5.408 11.389 -4.507 1.00 0.00 C ATOM 847 O MET A 54 4.322 11.314 -3.930 1.00 0.00 O ATOM 848 CB MET A 54 6.845 11.525 -2.395 1.00 0.00 C ATOM 849 CG MET A 54 7.300 12.990 -2.373 1.00 0.00 C ATOM 850 SD MET A 54 6.041 14.221 -2.784 1.00 0.00 S ATOM 851 CE MET A 54 6.847 15.721 -2.161 1.00 0.00 C ATOM 0 H MET A 54 8.270 11.944 -4.540 1.00 0.00 H new ATOM 0 HA MET A 54 6.460 9.812 -3.656 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.900 11.455 -1.857 1.00 0.00 H new ATOM 0 HB3 MET A 54 7.573 10.935 -1.838 1.00 0.00 H new ATOM 0 HG2 MET A 54 7.687 13.214 -1.379 1.00 0.00 H new ATOM 0 HG3 MET A 54 8.130 13.102 -3.071 1.00 0.00 H new ATOM 0 HE1 MET A 54 6.260 16.594 -2.446 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.919 15.671 -1.075 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.847 15.801 -2.588 1.00 0.00 H new ATOM 861 N ALA A 55 5.519 11.867 -5.753 1.00 0.00 N ATOM 862 CA ALA A 55 4.415 12.456 -6.517 1.00 0.00 C ATOM 863 C ALA A 55 3.204 11.519 -6.675 1.00 0.00 C ATOM 864 O ALA A 55 2.235 11.639 -5.923 1.00 0.00 O ATOM 865 CB ALA A 55 4.929 12.983 -7.865 1.00 0.00 C ATOM 0 H ALA A 55 6.399 11.854 -6.268 1.00 0.00 H new ATOM 0 HA ALA A 55 4.035 13.298 -5.938 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.101 13.418 -8.425 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.690 13.744 -7.692 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.361 12.161 -8.436 1.00 0.00 H new ATOM 871 N VAL A 56 3.240 10.593 -7.635 1.00 0.00 N ATOM 872 CA VAL A 56 2.096 9.788 -8.079 1.00 0.00 C ATOM 873 C VAL A 56 2.561 8.809 -9.178 1.00 0.00 C ATOM 874 O VAL A 56 3.505 9.141 -9.900 1.00 0.00 O ATOM 875 CB VAL A 56 0.984 10.731 -8.638 1.00 0.00 C ATOM 876 CG1 VAL A 56 1.378 11.456 -9.936 1.00 0.00 C ATOM 877 CG2 VAL A 56 -0.359 10.023 -8.858 1.00 0.00 C ATOM 0 H VAL A 56 4.096 10.374 -8.144 1.00 0.00 H new ATOM 0 HA VAL A 56 1.693 9.221 -7.240 1.00 0.00 H new ATOM 0 HB VAL A 56 0.868 11.475 -7.850 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.555 12.092 -10.262 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.261 12.069 -9.757 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.598 10.721 -10.711 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.086 10.735 -9.247 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.229 9.210 -9.572 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.717 9.620 -7.911 1.00 0.00 H new ATOM 887 N PRO A 57 1.927 7.638 -9.376 1.00 0.00 N ATOM 888 CA PRO A 57 1.072 6.911 -8.445 1.00 0.00 C ATOM 889 C PRO A 57 1.961 6.270 -7.371 1.00 0.00 C ATOM 890 O PRO A 57 2.507 5.195 -7.574 1.00 0.00 O ATOM 891 CB PRO A 57 0.323 5.862 -9.286 1.00 0.00 C ATOM 892 CG PRO A 57 1.245 5.632 -10.478 1.00 0.00 C ATOM 893 CD PRO A 57 1.977 6.954 -10.658 1.00 0.00 C ATOM 0 HA PRO A 57 0.352 7.548 -7.931 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.157 4.943 -8.725 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.656 6.225 -9.600 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.942 4.816 -10.288 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.679 5.367 -11.371 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.009 6.786 -10.967 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.505 7.555 -11.436 1.00 0.00 H new ATOM 901 N THR A 58 2.144 6.943 -6.242 1.00 0.00 N ATOM 902 CA THR A 58 3.065 6.559 -5.184 1.00 0.00 C ATOM 903 C THR A 58 2.470 5.341 -4.470 1.00 0.00 C ATOM 904 O THR A 58 1.465 5.476 -3.776 1.00 0.00 O ATOM 905 CB THR A 58 3.223 7.814 -4.304 1.00 0.00 C ATOM 906 OG1 THR A 58 3.880 8.808 -5.061 1.00 0.00 O ATOM 907 CG2 THR A 58 3.986 7.637 -2.992 1.00 0.00 C ATOM 0 H THR A 58 1.636 7.802 -6.032 1.00 0.00 H new ATOM 0 HA THR A 58 4.056 6.253 -5.518 1.00 0.00 H new ATOM 0 HB THR A 58 2.207 8.080 -4.011 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.849 8.727 -4.936 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.029 8.590 -2.465 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.476 6.901 -2.371 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.999 7.293 -3.203 1.00 0.00 H new ATOM 915 N ILE A 59 3.028 4.139 -4.640 1.00 0.00 N ATOM 916 CA ILE A 59 2.534 2.958 -3.933 1.00 0.00 C ATOM 917 C ILE A 59 3.636 2.539 -2.963 1.00 0.00 C ATOM 918 O ILE A 59 4.819 2.731 -3.243 1.00 0.00 O ATOM 919 CB ILE A 59 2.157 1.843 -4.938 1.00 0.00 C ATOM 920 CG1 ILE A 59 1.344 2.304 -6.167 1.00 0.00 C ATOM 921 CG2 ILE A 59 1.431 0.685 -4.235 1.00 0.00 C ATOM 922 CD1 ILE A 59 0.011 2.978 -5.872 1.00 0.00 C ATOM 0 H ILE A 59 3.819 3.960 -5.259 1.00 0.00 H new ATOM 0 HA ILE A 59 1.621 3.168 -3.376 1.00 0.00 H new ATOM 0 HB ILE A 59 3.116 1.506 -5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.958 2.995 -6.745 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.158 1.437 -6.800 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.179 -0.083 -4.966 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.081 0.259 -3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.518 1.057 -3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.470 3.258 -6.809 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.632 2.288 -5.326 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.180 3.871 -5.270 1.00 0.00 H new ATOM 934 N VAL A 60 3.307 1.847 -1.883 1.00 0.00 N ATOM 935 CA VAL A 60 4.284 1.190 -1.028 1.00 0.00 C ATOM 936 C VAL A 60 3.766 -0.234 -0.835 1.00 0.00 C ATOM 937 O VAL A 60 2.548 -0.437 -0.874 1.00 0.00 O ATOM 938 CB VAL A 60 4.622 2.014 0.246 1.00 0.00 C ATOM 939 CG1 VAL A 60 4.332 3.523 0.127 1.00 0.00 C ATOM 940 CG2 VAL A 60 4.059 1.454 1.546 1.00 0.00 C ATOM 0 H VAL A 60 2.343 1.724 -1.572 1.00 0.00 H new ATOM 0 HA VAL A 60 5.276 1.128 -1.476 1.00 0.00 H new ATOM 0 HB VAL A 60 5.704 1.900 0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.597 4.019 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.921 3.944 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.272 3.675 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.349 2.099 2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.972 1.411 1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.453 0.451 1.711 1.00 0.00 H new ATOM 950 N ILE A 61 4.672 -1.216 -0.795 1.00 0.00 N ATOM 951 CA ILE A 61 4.327 -2.646 -0.771 1.00 0.00 C ATOM 952 C ILE A 61 4.593 -3.253 0.607 1.00 0.00 C ATOM 953 O ILE A 61 3.955 -2.788 1.543 1.00 0.00 O ATOM 954 CB ILE A 61 4.897 -3.374 -2.009 1.00 0.00 C ATOM 955 CG1 ILE A 61 6.356 -2.977 -2.343 1.00 0.00 C ATOM 956 CG2 ILE A 61 3.915 -3.051 -3.146 1.00 0.00 C ATOM 957 CD1 ILE A 61 6.955 -3.750 -3.523 1.00 0.00 C ATOM 0 H ILE A 61 5.677 -1.041 -0.778 1.00 0.00 H new ATOM 0 HA ILE A 61 3.253 -2.790 -0.887 1.00 0.00 H new ATOM 0 HB ILE A 61 4.972 -4.447 -1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.390 -1.910 -2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.977 -3.139 -1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.250 -3.533 -4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.922 -3.418 -2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.875 -1.972 -3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.978 -3.416 -3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.955 -4.816 -3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.359 -3.568 -4.417 1.00 0.00 H new ATOM 969 N ASN A 62 5.461 -4.260 0.805 1.00 0.00 N ATOM 970 CA ASN A 62 5.756 -4.694 2.183 1.00 0.00 C ATOM 971 C ASN A 62 6.201 -3.536 3.077 1.00 0.00 C ATOM 972 O ASN A 62 5.852 -3.508 4.257 1.00 0.00 O ATOM 973 CB ASN A 62 6.774 -5.838 2.257 1.00 0.00 C ATOM 974 CG ASN A 62 6.723 -6.458 3.649 1.00 0.00 C ATOM 975 OD1 ASN A 62 5.871 -7.307 3.904 1.00 0.00 O ATOM 976 ND2 ASN A 62 7.571 -6.062 4.578 1.00 0.00 N ATOM 0 H ASN A 62 5.950 -4.768 0.069 1.00 0.00 H new ATOM 0 HA ASN A 62 4.808 -5.077 2.562 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.550 -6.591 1.501 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.776 -5.464 2.048 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.523 -6.460 5.516 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.275 -5.357 4.359 1.00 0.00 H new ATOM 983 N GLY A 63 6.899 -2.561 2.495 1.00 0.00 N ATOM 984 CA GLY A 63 7.122 -1.251 3.081 1.00 0.00 C ATOM 985 C GLY A 63 7.775 -0.301 2.087 1.00 0.00 C ATOM 986 O GLY A 63 7.572 0.908 2.189 1.00 0.00 O ATOM 0 H GLY A 63 7.334 -2.669 1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.172 -0.834 3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.755 -1.348 3.963 1.00 0.00 H new ATOM 990 N ASP A 64 8.553 -0.829 1.133 1.00 0.00 N ATOM 991 CA ASP A 64 9.299 0.022 0.210 1.00 0.00 C ATOM 992 C ASP A 64 8.369 0.695 -0.801 1.00 0.00 C ATOM 993 O ASP A 64 7.265 0.204 -1.074 1.00 0.00 O ATOM 994 CB ASP A 64 10.450 -0.734 -0.454 1.00 0.00 C ATOM 995 CG ASP A 64 11.645 0.207 -0.560 1.00 0.00 C ATOM 996 OD1 ASP A 64 11.602 1.160 -1.367 1.00 0.00 O ATOM 997 OD2 ASP A 64 12.576 0.057 0.264 1.00 0.00 O ATOM 0 H ASP A 64 8.679 -1.830 0.984 1.00 0.00 H new ATOM 0 HA ASP A 64 9.758 0.822 0.791 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.712 -1.616 0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.154 -1.084 -1.443 1.00 0.00 H new ATOM 1002 N VAL A 65 8.831 1.805 -1.369 1.00 0.00 N ATOM 1003 CA VAL A 65 8.019 2.842 -1.989 1.00 0.00 C ATOM 1004 C VAL A 65 8.400 2.926 -3.468 1.00 0.00 C ATOM 1005 O VAL A 65 9.577 3.034 -3.813 1.00 0.00 O ATOM 1006 CB VAL A 65 8.164 4.154 -1.173 1.00 0.00 C ATOM 1007 CG1 VAL A 65 8.162 3.904 0.350 1.00 0.00 C ATOM 1008 CG2 VAL A 65 9.444 4.936 -1.462 1.00 0.00 C ATOM 0 H VAL A 65 9.829 2.014 -1.410 1.00 0.00 H new ATOM 0 HA VAL A 65 6.952 2.619 -1.971 1.00 0.00 H new ATOM 0 HB VAL A 65 7.296 4.732 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.266 4.854 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.224 3.430 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.995 3.251 0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.465 5.838 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.310 4.317 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.472 5.212 -2.516 1.00 0.00 H new ATOM 1018 N GLU A 66 7.426 2.705 -4.347 1.00 0.00 N ATOM 1019 CA GLU A 66 7.661 2.318 -5.731 1.00 0.00 C ATOM 1020 C GLU A 66 6.374 2.614 -6.534 1.00 0.00 C ATOM 1021 O GLU A 66 5.284 2.672 -5.950 1.00 0.00 O ATOM 1022 CB GLU A 66 8.049 0.818 -5.685 1.00 0.00 C ATOM 1023 CG GLU A 66 9.353 0.436 -6.382 1.00 0.00 C ATOM 1024 CD GLU A 66 9.172 0.107 -7.855 1.00 0.00 C ATOM 1025 OE1 GLU A 66 8.123 -0.465 -8.204 1.00 0.00 O ATOM 1026 OE2 GLU A 66 10.125 0.365 -8.627 1.00 0.00 O ATOM 0 H GLU A 66 6.437 2.792 -4.112 1.00 0.00 H new ATOM 0 HA GLU A 66 8.461 2.867 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.117 0.514 -4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.240 0.241 -6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.063 1.257 -6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.789 -0.425 -5.875 1.00 0.00 H new ATOM 1033 N PHE A 67 6.446 2.741 -7.857 1.00 0.00 N ATOM 1034 CA PHE A 67 5.336 3.112 -8.741 1.00 0.00 C ATOM 1035 C PHE A 67 5.694 2.541 -10.113 1.00 0.00 C ATOM 1036 O PHE A 67 6.832 2.672 -10.573 1.00 0.00 O ATOM 1037 CB PHE A 67 5.184 4.645 -8.780 1.00 0.00 C ATOM 1038 CG PHE A 67 6.296 5.458 -9.420 1.00 0.00 C ATOM 1039 CD1 PHE A 67 7.579 5.516 -8.843 1.00 0.00 C ATOM 1040 CD2 PHE A 67 6.028 6.194 -10.589 1.00 0.00 C ATOM 1041 CE1 PHE A 67 8.602 6.241 -9.476 1.00 0.00 C ATOM 1042 CE2 PHE A 67 7.041 6.945 -11.205 1.00 0.00 C ATOM 1043 CZ PHE A 67 8.333 6.949 -10.660 1.00 0.00 C ATOM 0 H PHE A 67 7.315 2.582 -8.367 1.00 0.00 H new ATOM 0 HA PHE A 67 4.380 2.717 -8.398 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.258 4.875 -9.306 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.063 4.994 -7.755 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.777 5.003 -7.913 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.036 6.181 -11.015 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.596 6.254 -9.053 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.826 7.518 -12.095 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.123 7.497 -11.151 1.00 0.00 H new ATOM 1053 N ILE A 68 4.749 1.865 -10.755 1.00 0.00 N ATOM 1054 CA ILE A 68 4.959 1.053 -11.946 1.00 0.00 C ATOM 1055 C ILE A 68 3.828 1.388 -12.916 1.00 0.00 C ATOM 1056 O ILE A 68 2.660 1.164 -12.592 1.00 0.00 O ATOM 1057 CB ILE A 68 5.000 -0.450 -11.561 1.00 0.00 C ATOM 1058 CG1 ILE A 68 6.195 -0.816 -10.646 1.00 0.00 C ATOM 1059 CG2 ILE A 68 4.969 -1.330 -12.818 1.00 0.00 C ATOM 1060 CD1 ILE A 68 7.570 -0.762 -11.333 1.00 0.00 C ATOM 0 H ILE A 68 3.777 1.868 -10.447 1.00 0.00 H new ATOM 0 HA ILE A 68 5.914 1.266 -12.425 1.00 0.00 H new ATOM 0 HB ILE A 68 4.104 -0.646 -10.972 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.203 -0.137 -9.793 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.040 -1.821 -10.253 1.00 0.00 H new ATOM 0 HG21 ILE A 68 4.998 -2.380 -12.528 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.054 -1.134 -13.377 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.832 -1.102 -13.443 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.346 -1.033 -10.617 1.00 0.00 H new ATOM 0 HD12 ILE A 68 7.587 -1.462 -12.168 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.753 0.247 -11.702 1.00 0.00 H new ATOM 1072 N GLY A 69 4.160 1.910 -14.098 1.00 0.00 N ATOM 1073 CA GLY A 69 3.169 2.225 -15.113 1.00 0.00 C ATOM 1074 C GLY A 69 2.355 3.464 -14.737 1.00 0.00 C ATOM 1075 O GLY A 69 2.759 4.274 -13.898 1.00 0.00 O ATOM 0 H GLY A 69 5.119 2.123 -14.372 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.666 2.391 -16.069 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.500 1.375 -15.245 1.00 0.00 H new ATOM 1079 N ALA A 70 1.232 3.642 -15.432 1.00 0.00 N ATOM 1080 CA ALA A 70 0.199 4.613 -15.102 1.00 0.00 C ATOM 1081 C ALA A 70 -0.775 4.157 -14.001 1.00 0.00 C ATOM 1082 O ALA A 70 -1.267 5.043 -13.296 1.00 0.00 O ATOM 1083 CB ALA A 70 -0.593 4.952 -16.369 1.00 0.00 C ATOM 0 H ALA A 70 1.013 3.096 -16.265 1.00 0.00 H new ATOM 0 HA ALA A 70 0.717 5.486 -14.704 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.369 5.679 -16.129 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.079 5.372 -17.117 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.054 4.046 -16.763 1.00 0.00 H new ATOM 1089 N PRO A 71 -1.161 2.868 -13.865 1.00 0.00 N ATOM 1090 CA PRO A 71 -2.111 2.463 -12.835 1.00 0.00 C ATOM 1091 C PRO A 71 -1.410 2.419 -11.467 1.00 0.00 C ATOM 1092 O PRO A 71 -0.400 3.084 -11.234 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.671 1.118 -13.324 1.00 0.00 C ATOM 1094 CG PRO A 71 -1.480 0.493 -14.041 1.00 0.00 C ATOM 1095 CD PRO A 71 -0.793 1.702 -14.667 1.00 0.00 C ATOM 0 HA PRO A 71 -2.936 3.159 -12.685 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.014 0.498 -12.496 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.520 1.254 -13.994 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.822 -0.034 -13.350 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.794 -0.229 -14.794 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.289 1.568 -14.678 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.109 1.831 -15.702 1.00 0.00 H new ATOM 1103 N THR A 72 -1.958 1.673 -10.517 1.00 0.00 N ATOM 1104 CA THR A 72 -1.225 1.206 -9.348 1.00 0.00 C ATOM 1105 C THR A 72 -0.129 0.212 -9.781 1.00 0.00 C ATOM 1106 O THR A 72 0.173 0.086 -10.969 1.00 0.00 O ATOM 1107 CB THR A 72 -2.279 0.622 -8.383 1.00 0.00 C ATOM 1108 OG1 THR A 72 -3.227 -0.203 -9.039 1.00 0.00 O ATOM 1109 CG2 THR A 72 -3.120 1.724 -7.736 1.00 0.00 C ATOM 0 H THR A 72 -2.933 1.372 -10.536 1.00 0.00 H new ATOM 0 HA THR A 72 -0.688 2.000 -8.830 1.00 0.00 H new ATOM 0 HB THR A 72 -1.694 0.058 -7.657 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.869 -0.548 -8.384 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.851 1.276 -7.063 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.471 2.394 -7.172 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.638 2.289 -8.511 1.00 0.00 H new ATOM 1117 N LYS A 73 0.535 -0.450 -8.829 1.00 0.00 N ATOM 1118 CA LYS A 73 1.854 -1.055 -9.013 1.00 0.00 C ATOM 1119 C LYS A 73 1.829 -2.384 -9.788 1.00 0.00 C ATOM 1120 O LYS A 73 2.427 -3.358 -9.345 1.00 0.00 O ATOM 1121 CB LYS A 73 2.470 -1.184 -7.620 1.00 0.00 C ATOM 1122 CG LYS A 73 3.940 -1.575 -7.672 1.00 0.00 C ATOM 1123 CD LYS A 73 4.840 -0.595 -6.945 1.00 0.00 C ATOM 1124 CE LYS A 73 4.607 -0.774 -5.430 1.00 0.00 C ATOM 1125 NZ LYS A 73 5.302 0.205 -4.564 1.00 0.00 N ATOM 0 H LYS A 73 0.161 -0.582 -7.889 1.00 0.00 H new ATOM 0 HA LYS A 73 2.468 -0.418 -9.649 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.367 -0.237 -7.091 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.918 -1.930 -7.049 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.062 -2.566 -7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.255 -1.645 -8.713 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.885 -0.778 -7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.615 0.428 -7.248 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.537 -0.712 -5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.926 -1.777 -5.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.782 0.308 -3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.267 -0.129 -4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.346 1.125 -5.046 1.00 0.00 H new ATOM 1139 N GLU A 74 1.162 -2.462 -10.932 1.00 0.00 N ATOM 1140 CA GLU A 74 0.689 -3.703 -11.535 1.00 0.00 C ATOM 1141 C GLU A 74 1.771 -4.789 -11.708 1.00 0.00 C ATOM 1142 O GLU A 74 1.509 -5.960 -11.419 1.00 0.00 O ATOM 1143 CB GLU A 74 -0.057 -3.359 -12.833 1.00 0.00 C ATOM 1144 CG GLU A 74 -1.191 -4.354 -13.116 1.00 0.00 C ATOM 1145 CD GLU A 74 -2.200 -3.764 -14.100 1.00 0.00 C ATOM 1146 OE1 GLU A 74 -3.013 -2.904 -13.676 1.00 0.00 O ATOM 1147 OE2 GLU A 74 -2.180 -4.122 -15.300 1.00 0.00 O ATOM 0 H GLU A 74 0.927 -1.637 -11.484 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.002 -4.178 -10.839 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.466 -2.351 -12.762 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.645 -3.360 -13.667 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.778 -5.277 -13.522 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.694 -4.613 -12.184 1.00 0.00 H new ATOM 1154 N ALA A 75 2.997 -4.442 -12.126 1.00 0.00 N ATOM 1155 CA ALA A 75 4.053 -5.448 -12.270 1.00 0.00 C ATOM 1156 C ALA A 75 4.538 -5.974 -10.915 1.00 0.00 C ATOM 1157 O ALA A 75 4.773 -7.174 -10.782 1.00 0.00 O ATOM 1158 CB ALA A 75 5.239 -4.922 -13.082 1.00 0.00 C ATOM 0 H ALA A 75 3.276 -3.491 -12.366 1.00 0.00 H new ATOM 0 HA ALA A 75 3.605 -6.278 -12.816 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.998 -5.700 -13.164 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.901 -4.639 -14.079 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.664 -4.052 -12.583 1.00 0.00 H new ATOM 1164 N LEU A 76 4.712 -5.107 -9.907 1.00 0.00 N ATOM 1165 CA LEU A 76 5.134 -5.568 -8.578 1.00 0.00 C ATOM 1166 C LEU A 76 3.959 -6.199 -7.818 1.00 0.00 C ATOM 1167 O LEU A 76 4.186 -7.063 -6.981 1.00 0.00 O ATOM 1168 CB LEU A 76 5.781 -4.429 -7.762 1.00 0.00 C ATOM 1169 CG LEU A 76 7.234 -4.633 -7.302 1.00 0.00 C ATOM 1170 CD1 LEU A 76 7.393 -5.837 -6.372 1.00 0.00 C ATOM 1171 CD2 LEU A 76 8.194 -4.753 -8.488 1.00 0.00 C ATOM 0 H LEU A 76 4.570 -4.100 -9.984 1.00 0.00 H new ATOM 0 HA LEU A 76 5.894 -6.336 -8.721 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.741 -3.519 -8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.168 -4.256 -6.878 1.00 0.00 H new ATOM 0 HG LEU A 76 7.495 -3.740 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.438 -5.934 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.778 -5.694 -5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.076 -6.742 -6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.210 -4.896 -8.121 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.907 -5.606 -9.103 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.149 -3.843 -9.086 1.00 0.00 H new ATOM 1183 N VAL A 77 2.713 -5.827 -8.117 1.00 0.00 N ATOM 1184 CA VAL A 77 1.487 -6.506 -7.686 1.00 0.00 C ATOM 1185 C VAL A 77 1.580 -7.971 -8.133 1.00 0.00 C ATOM 1186 O VAL A 77 1.460 -8.881 -7.309 1.00 0.00 O ATOM 1187 CB VAL A 77 0.276 -5.711 -8.233 1.00 0.00 C ATOM 1188 CG1 VAL A 77 -1.082 -6.412 -8.314 1.00 0.00 C ATOM 1189 CG2 VAL A 77 0.068 -4.447 -7.386 1.00 0.00 C ATOM 0 H VAL A 77 2.521 -5.007 -8.692 1.00 0.00 H new ATOM 0 HA VAL A 77 1.355 -6.531 -6.604 1.00 0.00 H new ATOM 0 HB VAL A 77 0.568 -5.531 -9.267 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.824 -5.722 -8.717 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.004 -7.282 -8.966 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.387 -6.731 -7.317 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.784 -3.887 -7.771 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.121 -4.730 -6.351 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.962 -3.825 -7.434 1.00 0.00 H new ATOM 1199 N GLU A 78 1.945 -8.202 -9.398 1.00 0.00 N ATOM 1200 CA GLU A 78 2.172 -9.545 -9.922 1.00 0.00 C ATOM 1201 C GLU A 78 3.350 -10.279 -9.248 1.00 0.00 C ATOM 1202 O GLU A 78 3.542 -11.472 -9.479 1.00 0.00 O ATOM 1203 CB GLU A 78 2.382 -9.478 -11.438 1.00 0.00 C ATOM 1204 CG GLU A 78 1.982 -10.787 -12.131 1.00 0.00 C ATOM 1205 CD GLU A 78 2.766 -10.989 -13.417 1.00 0.00 C ATOM 1206 OE1 GLU A 78 2.355 -10.484 -14.483 1.00 0.00 O ATOM 1207 OE2 GLU A 78 3.825 -11.657 -13.364 1.00 0.00 O ATOM 0 H GLU A 78 2.090 -7.461 -10.084 1.00 0.00 H new ATOM 0 HA GLU A 78 1.281 -10.129 -9.690 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.796 -8.656 -11.849 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.429 -9.261 -11.650 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.159 -11.626 -11.459 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.914 -10.774 -12.351 1.00 0.00 H new ATOM 1214 N ALA A 79 4.141 -9.611 -8.407 1.00 0.00 N ATOM 1215 CA ALA A 79 5.228 -10.232 -7.669 1.00 0.00 C ATOM 1216 C ALA A 79 4.798 -10.504 -6.227 1.00 0.00 C ATOM 1217 O ALA A 79 4.910 -11.637 -5.761 1.00 0.00 O ATOM 1218 CB ALA A 79 6.463 -9.346 -7.735 1.00 0.00 C ATOM 0 H ALA A 79 4.039 -8.613 -8.221 1.00 0.00 H new ATOM 0 HA ALA A 79 5.479 -11.192 -8.121 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.277 -9.814 -7.181 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.761 -9.214 -8.775 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.237 -8.374 -7.296 1.00 0.00 H new ATOM 1224 N ILE A 80 4.265 -9.509 -5.511 1.00 0.00 N ATOM 1225 CA ILE A 80 3.769 -9.699 -4.152 1.00 0.00 C ATOM 1226 C ILE A 80 2.641 -10.754 -4.100 1.00 0.00 C ATOM 1227 O ILE A 80 2.483 -11.393 -3.060 1.00 0.00 O ATOM 1228 CB ILE A 80 3.419 -8.336 -3.500 1.00 0.00 C ATOM 1229 CG1 ILE A 80 2.106 -7.760 -4.080 1.00 0.00 C ATOM 1230 CG2 ILE A 80 4.614 -7.367 -3.595 1.00 0.00 C ATOM 1231 CD1 ILE A 80 1.794 -6.316 -3.666 1.00 0.00 C ATOM 0 H ILE A 80 4.167 -8.555 -5.859 1.00 0.00 H new ATOM 0 HA ILE A 80 4.564 -10.120 -3.536 1.00 0.00 H new ATOM 0 HB ILE A 80 3.231 -8.488 -2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.155 -7.808 -5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.278 -8.398 -3.770 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.349 -6.416 -3.132 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.472 -7.796 -3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.867 -7.203 -4.642 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.855 -6.002 -4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.707 -6.259 -2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.597 -5.660 -4.001 1.00 0.00 H new ATOM 1243 N LYS A 81 1.925 -11.020 -5.210 1.00 0.00 N ATOM 1244 CA LYS A 81 0.985 -12.147 -5.287 1.00 0.00 C ATOM 1245 C LYS A 81 1.663 -13.512 -5.121 1.00 0.00 C ATOM 1246 O LYS A 81 1.000 -14.440 -4.665 1.00 0.00 O ATOM 1247 CB LYS A 81 0.154 -12.109 -6.590 1.00 0.00 C ATOM 1248 CG LYS A 81 0.865 -12.697 -7.823 1.00 0.00 C ATOM 1249 CD LYS A 81 0.111 -12.488 -9.145 1.00 0.00 C ATOM 1250 CE LYS A 81 -1.034 -13.485 -9.332 1.00 0.00 C ATOM 1251 NZ LYS A 81 -1.806 -13.239 -10.570 1.00 0.00 N ATOM 0 H LYS A 81 1.983 -10.467 -6.065 1.00 0.00 H new ATOM 0 HA LYS A 81 0.309 -12.024 -4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.775 -12.655 -6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.117 -11.075 -6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.854 -12.247 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.013 -13.766 -7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.287 -11.474 -9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.810 -12.582 -9.976 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.630 -14.497 -9.355 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.703 -13.429 -8.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.569 -13.941 -10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.216 -12.284 -10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.176 -13.319 -11.394 1.00 0.00 H new ATOM 1265 N LYS A 82 2.917 -13.687 -5.565 1.00 0.00 N ATOM 1266 CA LYS A 82 3.664 -14.939 -5.392 1.00 0.00 C ATOM 1267 C LYS A 82 4.485 -14.948 -4.111 1.00 0.00 C ATOM 1268 O LYS A 82 4.593 -15.980 -3.458 1.00 0.00 O ATOM 1269 CB LYS A 82 4.483 -15.319 -6.647 1.00 0.00 C ATOM 1270 CG LYS A 82 5.589 -14.390 -7.201 1.00 0.00 C ATOM 1271 CD LYS A 82 6.818 -14.209 -6.290 1.00 0.00 C ATOM 1272 CE LYS A 82 8.157 -14.164 -7.029 1.00 0.00 C ATOM 1273 NZ LYS A 82 8.633 -12.787 -7.268 1.00 0.00 N ATOM 0 H LYS A 82 3.441 -12.962 -6.055 1.00 0.00 H new ATOM 0 HA LYS A 82 2.925 -15.732 -5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.951 -16.281 -6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.769 -15.479 -7.455 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.924 -14.784 -8.160 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.153 -13.410 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.700 -13.286 -5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.843 -15.026 -5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.905 -14.707 -6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.057 -14.680 -7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.543 -12.817 -7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.935 -12.274 -7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.757 -12.300 -6.358 1.00 0.00 H new ATOM 1287 N ARG A 83 5.133 -13.823 -3.822 1.00 0.00 N ATOM 1288 CA ARG A 83 6.133 -13.522 -2.797 1.00 0.00 C ATOM 1289 C ARG A 83 7.160 -14.575 -2.361 1.00 0.00 C ATOM 1290 O ARG A 83 7.851 -14.333 -1.369 1.00 0.00 O ATOM 1291 CB ARG A 83 5.440 -12.843 -1.605 1.00 0.00 C ATOM 1292 CG ARG A 83 5.957 -11.408 -1.399 1.00 0.00 C ATOM 1293 CD ARG A 83 6.583 -11.188 -0.021 1.00 0.00 C ATOM 1294 NE ARG A 83 7.847 -11.926 0.148 1.00 0.00 N ATOM 1295 CZ ARG A 83 8.721 -11.748 1.145 1.00 0.00 C ATOM 1296 NH1 ARG A 83 8.490 -10.834 2.075 1.00 0.00 N ATOM 1297 NH2 ARG A 83 9.824 -12.480 1.223 1.00 0.00 N ATOM 0 H ARG A 83 4.944 -12.988 -4.376 1.00 0.00 H new ATOM 0 HA ARG A 83 6.818 -12.859 -3.326 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.363 -12.823 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.612 -13.427 -0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.696 -11.180 -2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.132 -10.708 -1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.765 -10.123 0.126 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.878 -11.500 0.749 1.00 0.00 H new ATOM 0 HE ARG A 83 8.074 -12.631 -0.553 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.645 -10.265 2.032 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.157 -10.699 2.835 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.016 -13.191 0.517 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.481 -12.332 1.989 1.00 0.00 H new