USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 605 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 MET CE :methyl 150:sc= -0.494 (180deg=-2.21!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -2.32 K(o=-2.3,f=-5.3!) USER MOD Single : A 7 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.4) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -17:sc= 0.192 USER MOD Single : A 46 MET CE :methyl 156:sc= -1.21 (180deg=-2.55!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -3.31! C(o=-3.3!,f=-6.2!) USER MOD Single : A 52 ASN : amide:sc= -0.0393 K(o=-0.039,f=-1.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -151:sc= -0.112 (180deg=-0.571) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 89:sc= 1.19 USER MOD Single : A 81 MET CE :methyl 160:sc= -6.87! (180deg=-9.28!) USER MOD Single : A 82 MET CE :methyl 149:sc= -0.738 (180deg=-2.34!) USER MOD Single : A 85 GLN : amide:sc= -0.0233 X(o=-0.023,f=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 -12.956 -3.653 -6.818 1.00 0.00 N ATOM 25 CA MET A 3 -11.845 -3.542 -5.832 1.00 0.00 C ATOM 26 C MET A 3 -12.110 -4.482 -4.651 1.00 0.00 C ATOM 27 O MET A 3 -11.299 -4.610 -3.756 1.00 0.00 O ATOM 28 CB MET A 3 -11.749 -2.101 -5.325 1.00 0.00 C ATOM 29 CG MET A 3 -10.326 -1.826 -4.833 1.00 0.00 C ATOM 30 SD MET A 3 -10.360 -0.509 -3.592 1.00 0.00 S ATOM 31 CE MET A 3 -11.337 -1.391 -2.349 1.00 0.00 C ATOM 0 HA MET A 3 -10.908 -3.820 -6.314 1.00 0.00 H new ATOM 0 HB2 MET A 3 -12.010 -1.406 -6.123 1.00 0.00 H new ATOM 0 HB3 MET A 3 -12.462 -1.941 -4.516 1.00 0.00 H new ATOM 0 HG2 MET A 3 -9.896 -2.732 -4.406 1.00 0.00 H new ATOM 0 HG3 MET A 3 -9.690 -1.536 -5.670 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.057 -1.045 -1.354 1.00 0.00 H new ATOM 0 HE2 MET A 3 -12.397 -1.198 -2.515 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.146 -2.461 -2.428 1.00 0.00 H new ATOM 41 N THR A 4 -13.238 -5.143 -4.641 1.00 0.00 N ATOM 42 CA THR A 4 -13.545 -6.072 -3.518 1.00 0.00 C ATOM 43 C THR A 4 -12.683 -7.327 -3.655 1.00 0.00 C ATOM 44 O THR A 4 -11.651 -7.453 -3.027 1.00 0.00 O ATOM 45 CB THR A 4 -15.023 -6.460 -3.564 1.00 0.00 C ATOM 46 OG1 THR A 4 -15.821 -5.306 -3.337 1.00 0.00 O ATOM 47 CG2 THR A 4 -15.311 -7.503 -2.484 1.00 0.00 C ATOM 0 H THR A 4 -13.957 -5.079 -5.361 1.00 0.00 H new ATOM 0 HA THR A 4 -13.331 -5.582 -2.568 1.00 0.00 H new ATOM 0 HB THR A 4 -15.260 -6.879 -4.542 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.769 -5.553 -3.368 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.365 -7.779 -2.517 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.698 -8.387 -2.659 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.076 -7.087 -1.504 1.00 0.00 H new ATOM 55 N ASP A 5 -13.091 -8.253 -4.478 1.00 0.00 N ATOM 56 CA ASP A 5 -12.283 -9.491 -4.656 1.00 0.00 C ATOM 57 C ASP A 5 -10.815 -9.100 -4.822 1.00 0.00 C ATOM 58 O ASP A 5 -9.918 -9.857 -4.509 1.00 0.00 O ATOM 59 CB ASP A 5 -12.759 -10.238 -5.904 1.00 0.00 C ATOM 60 CG ASP A 5 -12.579 -9.344 -7.132 1.00 0.00 C ATOM 61 OD1 ASP A 5 -13.304 -8.368 -7.241 1.00 0.00 O ATOM 62 OD2 ASP A 5 -11.721 -9.651 -7.944 1.00 0.00 O ATOM 0 H ASP A 5 -13.946 -8.206 -5.033 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.399 -10.138 -3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.193 -11.161 -6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.807 -10.519 -5.796 1.00 0.00 H new ATOM 67 N GLN A 6 -10.569 -7.916 -5.309 1.00 0.00 N ATOM 68 CA GLN A 6 -9.167 -7.456 -5.497 1.00 0.00 C ATOM 69 C GLN A 6 -8.357 -7.764 -4.236 1.00 0.00 C ATOM 70 O GLN A 6 -7.323 -8.402 -4.289 1.00 0.00 O ATOM 71 CB GLN A 6 -9.164 -5.947 -5.751 1.00 0.00 C ATOM 72 CG GLN A 6 -7.789 -5.514 -6.263 1.00 0.00 C ATOM 73 CD GLN A 6 -7.569 -4.034 -5.944 1.00 0.00 C ATOM 74 OE1 GLN A 6 -6.783 -3.697 -5.081 1.00 0.00 O ATOM 75 NE2 GLN A 6 -8.236 -3.130 -6.608 1.00 0.00 N ATOM 0 H GLN A 6 -11.284 -7.244 -5.586 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.721 -7.972 -6.348 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.932 -5.690 -6.480 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.405 -5.413 -4.832 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.009 -6.117 -5.798 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.721 -5.679 -7.338 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.896 -3.413 -7.333 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.097 -2.141 -6.402 1.00 0.00 H new ATOM 84 N GLN A 7 -8.819 -7.317 -3.101 1.00 0.00 N ATOM 85 CA GLN A 7 -8.079 -7.583 -1.835 1.00 0.00 C ATOM 86 C GLN A 7 -8.138 -9.077 -1.511 1.00 0.00 C ATOM 87 O GLN A 7 -7.265 -9.615 -0.858 1.00 0.00 O ATOM 88 CB GLN A 7 -8.721 -6.787 -0.696 1.00 0.00 C ATOM 89 CG GLN A 7 -8.761 -5.304 -1.069 1.00 0.00 C ATOM 90 CD GLN A 7 -9.999 -4.653 -0.452 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.898 -3.923 0.514 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.173 -4.889 -0.971 1.00 0.00 N ATOM 0 H GLN A 7 -9.679 -6.778 -2.995 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.038 -7.280 -1.951 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.730 -7.153 -0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.154 -6.926 0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.860 -4.805 -0.713 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.781 -5.192 -2.153 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.258 -5.502 -1.782 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.005 -4.461 -0.566 1.00 0.00 H new ATOM 101 N ALA A 8 -9.161 -9.752 -1.960 1.00 0.00 N ATOM 102 CA ALA A 8 -9.273 -11.211 -1.674 1.00 0.00 C ATOM 103 C ALA A 8 -8.115 -11.954 -2.344 1.00 0.00 C ATOM 104 O ALA A 8 -7.742 -13.037 -1.938 1.00 0.00 O ATOM 105 CB ALA A 8 -10.602 -11.737 -2.223 1.00 0.00 C ATOM 0 H ALA A 8 -9.923 -9.357 -2.512 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.234 -11.374 -0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.685 -12.804 -2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.427 -11.209 -1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.641 -11.574 -3.300 1.00 0.00 H new ATOM 111 N GLU A 9 -7.542 -11.381 -3.366 1.00 0.00 N ATOM 112 CA GLU A 9 -6.410 -12.055 -4.060 1.00 0.00 C ATOM 113 C GLU A 9 -5.121 -11.838 -3.264 1.00 0.00 C ATOM 114 O GLU A 9 -4.367 -12.760 -3.020 1.00 0.00 O ATOM 115 CB GLU A 9 -6.247 -11.463 -5.462 1.00 0.00 C ATOM 116 CG GLU A 9 -6.457 -12.559 -6.509 1.00 0.00 C ATOM 117 CD GLU A 9 -6.838 -11.920 -7.847 1.00 0.00 C ATOM 118 OE1 GLU A 9 -5.952 -11.404 -8.507 1.00 0.00 O ATOM 119 OE2 GLU A 9 -8.009 -11.958 -8.186 1.00 0.00 O ATOM 0 H GLU A 9 -7.809 -10.475 -3.750 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.615 -13.123 -4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.966 -10.658 -5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.254 -11.028 -5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.547 -13.149 -6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.241 -13.242 -6.184 1.00 0.00 H new ATOM 126 N ALA A 10 -4.861 -10.625 -2.861 1.00 0.00 N ATOM 127 CA ALA A 10 -3.621 -10.345 -2.084 1.00 0.00 C ATOM 128 C ALA A 10 -3.628 -11.159 -0.788 1.00 0.00 C ATOM 129 O ALA A 10 -2.683 -11.857 -0.476 1.00 0.00 O ATOM 130 CB ALA A 10 -3.564 -8.853 -1.746 1.00 0.00 C ATOM 0 H ALA A 10 -5.455 -9.814 -3.037 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.751 -10.622 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.658 -8.643 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.557 -8.271 -2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.437 -8.581 -1.152 1.00 0.00 H new ATOM 136 N ARG A 11 -4.686 -11.072 -0.028 1.00 0.00 N ATOM 137 CA ARG A 11 -4.754 -11.834 1.251 1.00 0.00 C ATOM 138 C ARG A 11 -4.571 -13.329 0.980 1.00 0.00 C ATOM 139 O ARG A 11 -4.094 -14.066 1.821 1.00 0.00 O ATOM 140 CB ARG A 11 -6.117 -11.598 1.906 1.00 0.00 C ATOM 141 CG ARG A 11 -5.925 -11.308 3.395 1.00 0.00 C ATOM 142 CD ARG A 11 -7.277 -10.977 4.030 1.00 0.00 C ATOM 143 NE ARG A 11 -7.091 -9.940 5.082 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.483 -10.174 6.305 1.00 0.00 C ATOM 145 NH1 ARG A 11 -7.402 -11.380 6.797 1.00 0.00 N ATOM 146 NH2 ARG A 11 -7.955 -9.200 7.035 1.00 0.00 N ATOM 0 H ARG A 11 -5.507 -10.505 -0.238 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.960 -11.493 1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.624 -10.762 1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.752 -12.474 1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.481 -12.172 3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.235 -10.475 3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.970 -10.618 3.269 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.717 -11.875 4.463 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.657 -9.047 4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.032 -12.140 6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.708 -11.563 7.753 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.017 -8.258 6.650 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.262 -9.381 7.991 1.00 0.00 H new ATOM 160 N ALA A 12 -4.950 -13.786 -0.181 1.00 0.00 N ATOM 161 CA ALA A 12 -4.801 -15.236 -0.494 1.00 0.00 C ATOM 162 C ALA A 12 -3.352 -15.670 -0.252 1.00 0.00 C ATOM 163 O ALA A 12 -3.054 -16.363 0.702 1.00 0.00 O ATOM 164 CB ALA A 12 -5.169 -15.482 -1.959 1.00 0.00 C ATOM 0 H ALA A 12 -5.356 -13.220 -0.926 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.463 -15.814 0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.060 -16.542 -2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.201 -15.178 -2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.508 -14.902 -2.603 1.00 0.00 H new ATOM 170 N PHE A 13 -2.449 -15.273 -1.107 1.00 0.00 N ATOM 171 CA PHE A 13 -1.022 -15.668 -0.926 1.00 0.00 C ATOM 172 C PHE A 13 -0.484 -15.073 0.378 1.00 0.00 C ATOM 173 O PHE A 13 0.451 -15.581 0.964 1.00 0.00 O ATOM 174 CB PHE A 13 -0.195 -15.141 -2.100 1.00 0.00 C ATOM 175 CG PHE A 13 1.173 -15.781 -2.084 1.00 0.00 C ATOM 176 CD1 PHE A 13 1.294 -17.174 -2.003 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.321 -14.982 -2.150 1.00 0.00 C ATOM 178 CE1 PHE A 13 2.561 -17.767 -1.988 1.00 0.00 C ATOM 179 CE2 PHE A 13 3.589 -15.575 -2.134 1.00 0.00 C ATOM 180 CZ PHE A 13 3.709 -16.968 -2.054 1.00 0.00 C ATOM 0 H PHE A 13 -2.638 -14.692 -1.924 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.952 -16.755 -0.886 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.699 -15.361 -3.041 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.101 -14.057 -2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.409 -17.791 -1.952 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.228 -13.908 -2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.654 -18.841 -1.926 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.474 -14.958 -2.183 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.687 -17.426 -2.043 1.00 0.00 H new ATOM 190 N LEU A 14 -1.063 -13.997 0.833 1.00 0.00 N ATOM 191 CA LEU A 14 -0.581 -13.367 2.093 1.00 0.00 C ATOM 192 C LEU A 14 -1.100 -14.158 3.296 1.00 0.00 C ATOM 193 O LEU A 14 -2.072 -13.787 3.922 1.00 0.00 O ATOM 194 CB LEU A 14 -1.092 -11.926 2.166 1.00 0.00 C ATOM 195 CG LEU A 14 0.030 -10.956 1.782 1.00 0.00 C ATOM 196 CD1 LEU A 14 1.019 -10.833 2.944 1.00 0.00 C ATOM 197 CD2 LEU A 14 0.765 -11.480 0.544 1.00 0.00 C ATOM 0 H LEU A 14 -1.850 -13.526 0.386 1.00 0.00 H new ATOM 0 HA LEU A 14 0.509 -13.369 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.941 -11.798 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.446 -11.707 3.173 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.400 -9.979 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.817 -10.143 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.500 -10.457 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.445 -11.812 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.562 -10.787 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.193 -12.459 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.064 -11.567 -0.286 1.00 0.00 H new ATOM 209 N SER A 15 -0.455 -15.247 3.623 1.00 0.00 N ATOM 210 CA SER A 15 -0.904 -16.068 4.785 1.00 0.00 C ATOM 211 C SER A 15 -1.296 -15.150 5.946 1.00 0.00 C ATOM 212 O SER A 15 -0.797 -14.050 6.076 1.00 0.00 O ATOM 213 CB SER A 15 0.237 -16.986 5.227 1.00 0.00 C ATOM 214 OG SER A 15 0.358 -18.062 4.305 1.00 0.00 O ATOM 0 H SER A 15 0.366 -15.604 3.134 1.00 0.00 H new ATOM 0 HA SER A 15 -1.766 -16.667 4.492 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.171 -16.427 5.275 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.043 -17.370 6.228 1.00 0.00 H new ATOM 0 HG SER A 15 1.089 -18.651 4.584 1.00 0.00 H new ATOM 220 N GLU A 16 -2.188 -15.594 6.789 1.00 0.00 N ATOM 221 CA GLU A 16 -2.616 -14.750 7.940 1.00 0.00 C ATOM 222 C GLU A 16 -1.406 -14.408 8.812 1.00 0.00 C ATOM 223 O GLU A 16 -1.177 -13.263 9.149 1.00 0.00 O ATOM 224 CB GLU A 16 -3.643 -15.517 8.777 1.00 0.00 C ATOM 225 CG GLU A 16 -4.398 -14.541 9.681 1.00 0.00 C ATOM 226 CD GLU A 16 -5.820 -14.351 9.152 1.00 0.00 C ATOM 227 OE1 GLU A 16 -5.961 -13.816 8.064 1.00 0.00 O ATOM 228 OE2 GLU A 16 -6.745 -14.744 9.843 1.00 0.00 O ATOM 0 H GLU A 16 -2.640 -16.507 6.730 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.061 -13.828 7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.342 -16.039 8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.143 -16.275 9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.426 -14.922 10.702 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.879 -13.583 9.713 1.00 0.00 H new ATOM 235 N GLU A 17 -0.632 -15.389 9.185 1.00 0.00 N ATOM 236 CA GLU A 17 0.556 -15.116 10.040 1.00 0.00 C ATOM 237 C GLU A 17 1.471 -14.101 9.349 1.00 0.00 C ATOM 238 O GLU A 17 2.310 -13.484 9.974 1.00 0.00 O ATOM 239 CB GLU A 17 1.324 -16.417 10.277 1.00 0.00 C ATOM 240 CG GLU A 17 2.178 -16.283 11.539 1.00 0.00 C ATOM 241 CD GLU A 17 1.272 -15.994 12.739 1.00 0.00 C ATOM 242 OE1 GLU A 17 0.547 -16.890 13.138 1.00 0.00 O ATOM 243 OE2 GLU A 17 1.321 -14.883 13.240 1.00 0.00 O ATOM 0 H GLU A 17 -0.771 -16.368 8.935 1.00 0.00 H new ATOM 0 HA GLU A 17 0.225 -14.709 10.995 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.627 -17.249 10.383 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.958 -16.639 9.418 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.742 -17.200 11.708 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.904 -15.480 11.416 1.00 0.00 H new ATOM 250 N MET A 18 1.318 -13.925 8.064 1.00 0.00 N ATOM 251 CA MET A 18 2.184 -12.952 7.339 1.00 0.00 C ATOM 252 C MET A 18 1.575 -11.550 7.431 1.00 0.00 C ATOM 253 O MET A 18 2.260 -10.582 7.693 1.00 0.00 O ATOM 254 CB MET A 18 2.293 -13.361 5.869 1.00 0.00 C ATOM 255 CG MET A 18 3.642 -12.905 5.310 1.00 0.00 C ATOM 256 SD MET A 18 4.429 -14.280 4.434 1.00 0.00 S ATOM 257 CE MET A 18 5.514 -13.285 3.382 1.00 0.00 C ATOM 0 H MET A 18 0.632 -14.412 7.486 1.00 0.00 H new ATOM 0 HA MET A 18 3.175 -12.947 7.792 1.00 0.00 H new ATOM 0 HB2 MET A 18 2.195 -14.442 5.773 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.480 -12.915 5.295 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.501 -12.062 4.634 1.00 0.00 H new ATOM 0 HG3 MET A 18 4.285 -12.560 6.120 1.00 0.00 H new ATOM 0 HE1 MET A 18 6.105 -13.942 2.744 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.911 -12.623 2.761 1.00 0.00 H new ATOM 0 HE3 MET A 18 6.180 -12.690 4.006 1.00 0.00 H new ATOM 267 N ILE A 19 0.292 -11.432 7.214 1.00 0.00 N ATOM 268 CA ILE A 19 -0.353 -10.090 7.287 1.00 0.00 C ATOM 269 C ILE A 19 -0.211 -9.535 8.704 1.00 0.00 C ATOM 270 O ILE A 19 -0.029 -8.350 8.902 1.00 0.00 O ATOM 271 CB ILE A 19 -1.838 -10.213 6.937 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.003 -11.087 5.693 1.00 0.00 C ATOM 273 CG2 ILE A 19 -2.415 -8.823 6.660 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.080 -12.140 5.957 1.00 0.00 C ATOM 0 H ILE A 19 -0.335 -12.205 6.990 1.00 0.00 H new ATOM 0 HA ILE A 19 0.131 -9.417 6.579 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.368 -10.669 7.773 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.281 -10.473 4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.058 -11.570 5.446 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.472 -8.911 6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.302 -8.199 7.546 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.882 -8.368 5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.201 -12.766 5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.783 -12.760 6.803 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.024 -11.645 6.184 1.00 0.00 H new ATOM 286 N ALA A 20 -0.292 -10.383 9.690 1.00 0.00 N ATOM 287 CA ALA A 20 -0.160 -9.909 11.094 1.00 0.00 C ATOM 288 C ALA A 20 1.190 -9.210 11.269 1.00 0.00 C ATOM 289 O ALA A 20 1.333 -8.307 12.068 1.00 0.00 O ATOM 290 CB ALA A 20 -0.247 -11.104 12.041 1.00 0.00 C ATOM 0 H ALA A 20 -0.444 -11.386 9.583 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.962 -9.207 11.322 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.151 -10.760 13.071 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.209 -11.601 11.913 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.556 -11.806 11.816 1.00 0.00 H new ATOM 296 N GLU A 21 2.179 -9.620 10.523 1.00 0.00 N ATOM 297 CA GLU A 21 3.517 -8.977 10.642 1.00 0.00 C ATOM 298 C GLU A 21 3.573 -7.758 9.718 1.00 0.00 C ATOM 299 O GLU A 21 4.308 -6.821 9.953 1.00 0.00 O ATOM 300 CB GLU A 21 4.605 -9.974 10.237 1.00 0.00 C ATOM 301 CG GLU A 21 4.552 -11.191 11.164 1.00 0.00 C ATOM 302 CD GLU A 21 5.971 -11.561 11.600 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.509 -10.867 12.447 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.495 -12.532 11.080 1.00 0.00 O ATOM 0 H GLU A 21 2.118 -10.372 9.837 1.00 0.00 H new ATOM 0 HA GLU A 21 3.681 -8.665 11.673 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.461 -10.285 9.202 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.586 -9.502 10.295 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.938 -10.970 12.037 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.086 -12.033 10.651 1.00 0.00 H new ATOM 311 N PHE A 22 2.796 -7.766 8.669 1.00 0.00 N ATOM 312 CA PHE A 22 2.796 -6.611 7.729 1.00 0.00 C ATOM 313 C PHE A 22 2.036 -5.442 8.360 1.00 0.00 C ATOM 314 O PHE A 22 2.234 -4.297 8.008 1.00 0.00 O ATOM 315 CB PHE A 22 2.109 -7.018 6.424 1.00 0.00 C ATOM 316 CG PHE A 22 2.698 -6.235 5.276 1.00 0.00 C ATOM 317 CD1 PHE A 22 2.153 -4.995 4.922 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.789 -6.750 4.565 1.00 0.00 C ATOM 319 CE1 PHE A 22 2.698 -4.270 3.855 1.00 0.00 C ATOM 320 CE2 PHE A 22 4.333 -6.025 3.498 1.00 0.00 C ATOM 321 CZ PHE A 22 3.789 -4.784 3.144 1.00 0.00 C ATOM 0 H PHE A 22 2.160 -8.525 8.423 1.00 0.00 H new ATOM 0 HA PHE A 22 3.823 -6.309 7.522 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.237 -8.087 6.252 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.037 -6.832 6.492 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.313 -4.598 5.472 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.210 -7.706 4.840 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.277 -3.314 3.581 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.173 -6.423 2.948 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.211 -4.224 2.323 1.00 0.00 H new ATOM 331 N LYS A 23 1.164 -5.725 9.291 1.00 0.00 N ATOM 332 CA LYS A 23 0.390 -4.632 9.943 1.00 0.00 C ATOM 333 C LYS A 23 1.346 -3.721 10.716 1.00 0.00 C ATOM 334 O LYS A 23 1.171 -2.521 10.764 1.00 0.00 O ATOM 335 CB LYS A 23 -0.634 -5.234 10.907 1.00 0.00 C ATOM 336 CG LYS A 23 -2.047 -4.904 10.421 1.00 0.00 C ATOM 337 CD LYS A 23 -3.047 -5.130 11.557 1.00 0.00 C ATOM 338 CE LYS A 23 -2.821 -6.511 12.172 1.00 0.00 C ATOM 339 NZ LYS A 23 -4.021 -6.905 12.963 1.00 0.00 N ATOM 0 H LYS A 23 0.955 -6.665 9.627 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.129 -4.051 9.181 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.502 -6.314 10.967 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.481 -4.838 11.911 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.094 -3.869 10.083 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.304 -5.530 9.567 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.929 -4.358 12.318 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.066 -5.052 11.179 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.633 -7.244 11.387 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.939 -6.496 12.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.868 -7.845 13.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.181 -6.210 13.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.853 -6.935 12.340 1.00 0.00 H new ATOM 353 N ALA A 24 2.357 -4.281 11.321 1.00 0.00 N ATOM 354 CA ALA A 24 3.323 -3.445 12.090 1.00 0.00 C ATOM 355 C ALA A 24 3.800 -2.284 11.216 1.00 0.00 C ATOM 356 O ALA A 24 3.892 -1.156 11.661 1.00 0.00 O ATOM 357 CB ALA A 24 4.522 -4.301 12.502 1.00 0.00 C ATOM 0 H ALA A 24 2.556 -5.281 11.316 1.00 0.00 H new ATOM 0 HA ALA A 24 2.835 -3.051 12.982 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.229 -3.691 13.064 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.182 -5.128 13.125 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.011 -4.695 11.611 1.00 0.00 H new ATOM 363 N ALA A 25 4.106 -2.549 9.975 1.00 0.00 N ATOM 364 CA ALA A 25 4.578 -1.460 9.075 1.00 0.00 C ATOM 365 C ALA A 25 3.401 -0.555 8.706 1.00 0.00 C ATOM 366 O ALA A 25 3.570 0.614 8.425 1.00 0.00 O ATOM 367 CB ALA A 25 5.171 -2.072 7.804 1.00 0.00 C ATOM 0 H ALA A 25 4.049 -3.473 9.546 1.00 0.00 H new ATOM 0 HA ALA A 25 5.340 -0.871 9.585 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.517 -1.276 7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.010 -2.716 8.067 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.409 -2.661 7.294 1.00 0.00 H new ATOM 373 N PHE A 26 2.209 -1.086 8.705 1.00 0.00 N ATOM 374 CA PHE A 26 1.024 -0.254 8.353 1.00 0.00 C ATOM 375 C PHE A 26 0.848 0.853 9.396 1.00 0.00 C ATOM 376 O PHE A 26 0.723 2.015 9.065 1.00 0.00 O ATOM 377 CB PHE A 26 -0.227 -1.134 8.326 1.00 0.00 C ATOM 378 CG PHE A 26 -1.445 -0.270 8.110 1.00 0.00 C ATOM 379 CD1 PHE A 26 -1.434 0.722 7.121 1.00 0.00 C ATOM 380 CD2 PHE A 26 -2.586 -0.458 8.899 1.00 0.00 C ATOM 381 CE1 PHE A 26 -2.563 1.524 6.921 1.00 0.00 C ATOM 382 CE2 PHE A 26 -3.716 0.345 8.699 1.00 0.00 C ATOM 383 CZ PHE A 26 -3.704 1.336 7.711 1.00 0.00 C ATOM 0 H PHE A 26 2.005 -2.059 8.932 1.00 0.00 H new ATOM 0 HA PHE A 26 1.174 0.194 7.371 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.147 -1.874 7.530 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.319 -1.683 9.263 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.554 0.868 6.513 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.595 -1.222 9.662 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.555 2.288 6.158 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.597 0.199 9.307 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.575 1.956 7.558 1.00 0.00 H new ATOM 393 N ASP A 27 0.838 0.501 10.653 1.00 0.00 N ATOM 394 CA ASP A 27 0.669 1.532 11.717 1.00 0.00 C ATOM 395 C ASP A 27 1.864 2.488 11.698 1.00 0.00 C ATOM 396 O ASP A 27 1.748 3.648 12.042 1.00 0.00 O ATOM 397 CB ASP A 27 0.588 0.845 13.082 1.00 0.00 C ATOM 398 CG ASP A 27 -0.494 1.517 13.930 1.00 0.00 C ATOM 399 OD1 ASP A 27 -1.006 2.537 13.502 1.00 0.00 O ATOM 400 OD2 ASP A 27 -0.790 1.000 14.996 1.00 0.00 O ATOM 0 H ASP A 27 0.940 -0.457 10.989 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.247 2.094 11.536 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.360 -0.213 12.955 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.551 0.905 13.589 1.00 0.00 H new ATOM 405 N MET A 28 3.013 2.012 11.301 1.00 0.00 N ATOM 406 CA MET A 28 4.212 2.896 11.264 1.00 0.00 C ATOM 407 C MET A 28 3.968 4.050 10.290 1.00 0.00 C ATOM 408 O MET A 28 4.587 5.091 10.378 1.00 0.00 O ATOM 409 CB MET A 28 5.427 2.089 10.802 1.00 0.00 C ATOM 410 CG MET A 28 6.266 1.688 12.017 1.00 0.00 C ATOM 411 SD MET A 28 7.251 3.104 12.566 1.00 0.00 S ATOM 412 CE MET A 28 8.807 2.618 11.780 1.00 0.00 C ATOM 0 H MET A 28 3.173 1.050 11.001 1.00 0.00 H new ATOM 0 HA MET A 28 4.398 3.296 12.261 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.102 1.200 10.262 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.028 2.680 10.111 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.617 1.348 12.824 1.00 0.00 H new ATOM 0 HG3 MET A 28 6.920 0.854 11.761 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.571 3.366 11.993 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.126 1.652 12.171 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.662 2.544 10.702 1.00 0.00 H new ATOM 422 N PHE A 29 3.069 3.873 9.362 1.00 0.00 N ATOM 423 CA PHE A 29 2.786 4.961 8.383 1.00 0.00 C ATOM 424 C PHE A 29 1.691 5.874 8.935 1.00 0.00 C ATOM 425 O PHE A 29 1.855 7.075 9.016 1.00 0.00 O ATOM 426 CB PHE A 29 2.324 4.346 7.060 1.00 0.00 C ATOM 427 CG PHE A 29 3.264 3.230 6.674 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.647 3.423 6.760 1.00 0.00 C ATOM 429 CD2 PHE A 29 2.753 2.004 6.233 1.00 0.00 C ATOM 430 CE1 PHE A 29 5.521 2.388 6.404 1.00 0.00 C ATOM 431 CE2 PHE A 29 3.627 0.970 5.877 1.00 0.00 C ATOM 432 CZ PHE A 29 5.010 1.162 5.962 1.00 0.00 C ATOM 0 H PHE A 29 2.518 3.023 9.239 1.00 0.00 H new ATOM 0 HA PHE A 29 3.691 5.545 8.216 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.308 3.964 7.159 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.304 5.107 6.279 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.040 4.369 7.101 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.685 1.856 6.167 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.589 2.536 6.470 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.233 0.024 5.537 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.684 0.364 5.687 1.00 0.00 H new ATOM 442 N ASP A 30 0.577 5.316 9.320 1.00 0.00 N ATOM 443 CA ASP A 30 -0.523 6.155 9.870 1.00 0.00 C ATOM 444 C ASP A 30 -0.100 6.719 11.228 1.00 0.00 C ATOM 445 O ASP A 30 0.094 5.990 12.180 1.00 0.00 O ATOM 446 CB ASP A 30 -1.780 5.300 10.042 1.00 0.00 C ATOM 447 CG ASP A 30 -2.809 6.067 10.874 1.00 0.00 C ATOM 448 OD1 ASP A 30 -3.236 7.119 10.428 1.00 0.00 O ATOM 449 OD2 ASP A 30 -3.153 5.590 11.943 1.00 0.00 O ATOM 0 H ASP A 30 0.381 4.316 9.277 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.734 6.975 9.184 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.199 5.050 9.067 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.529 4.359 10.532 1.00 0.00 H new ATOM 454 N ALA A 31 0.045 8.012 11.325 1.00 0.00 N ATOM 455 CA ALA A 31 0.455 8.618 12.623 1.00 0.00 C ATOM 456 C ALA A 31 -0.629 9.588 13.102 1.00 0.00 C ATOM 457 O ALA A 31 -0.516 10.190 14.151 1.00 0.00 O ATOM 458 CB ALA A 31 1.773 9.373 12.440 1.00 0.00 C ATOM 0 H ALA A 31 -0.102 8.674 10.563 1.00 0.00 H new ATOM 0 HA ALA A 31 0.588 7.830 13.365 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.073 9.816 13.389 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.545 8.681 12.103 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.641 10.160 11.697 1.00 0.00 H new ATOM 464 N ASP A 32 -1.681 9.744 12.344 1.00 0.00 N ATOM 465 CA ASP A 32 -2.769 10.673 12.762 1.00 0.00 C ATOM 466 C ASP A 32 -3.909 9.871 13.393 1.00 0.00 C ATOM 467 O ASP A 32 -4.988 10.381 13.623 1.00 0.00 O ATOM 468 CB ASP A 32 -3.291 11.435 11.541 1.00 0.00 C ATOM 469 CG ASP A 32 -3.681 10.441 10.445 1.00 0.00 C ATOM 470 OD1 ASP A 32 -4.466 9.552 10.730 1.00 0.00 O ATOM 471 OD2 ASP A 32 -3.186 10.587 9.339 1.00 0.00 O ATOM 0 H ASP A 32 -1.833 9.269 11.454 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.379 11.384 13.490 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.153 12.042 11.819 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.526 12.118 11.171 1.00 0.00 H new ATOM 476 N GLY A 33 -3.677 8.618 13.678 1.00 0.00 N ATOM 477 CA GLY A 33 -4.745 7.783 14.296 1.00 0.00 C ATOM 478 C GLY A 33 -5.979 7.773 13.393 1.00 0.00 C ATOM 479 O GLY A 33 -7.101 7.803 13.857 1.00 0.00 O ATOM 0 H GLY A 33 -2.793 8.137 13.509 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.384 6.766 14.445 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.005 8.177 15.279 1.00 0.00 H new ATOM 483 N GLY A 34 -5.782 7.729 12.104 1.00 0.00 N ATOM 484 CA GLY A 34 -6.946 7.717 11.173 1.00 0.00 C ATOM 485 C GLY A 34 -7.071 6.335 10.529 1.00 0.00 C ATOM 486 O GLY A 34 -8.140 5.922 10.124 1.00 0.00 O ATOM 0 H GLY A 34 -4.866 7.701 11.655 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.860 7.962 11.714 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.817 8.478 10.403 1.00 0.00 H new ATOM 490 N GLY A 35 -5.986 5.618 10.431 1.00 0.00 N ATOM 491 CA GLY A 35 -6.041 4.263 9.813 1.00 0.00 C ATOM 492 C GLY A 35 -5.904 4.389 8.295 1.00 0.00 C ATOM 493 O GLY A 35 -6.674 3.825 7.544 1.00 0.00 O ATOM 0 H GLY A 35 -5.063 5.912 10.752 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.242 3.638 10.210 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.983 3.775 10.065 1.00 0.00 H new ATOM 497 N ASP A 36 -4.929 5.128 7.839 1.00 0.00 N ATOM 498 CA ASP A 36 -4.742 5.292 6.371 1.00 0.00 C ATOM 499 C ASP A 36 -3.462 6.090 6.106 1.00 0.00 C ATOM 500 O ASP A 36 -3.005 6.843 6.944 1.00 0.00 O ATOM 501 CB ASP A 36 -5.941 6.041 5.783 1.00 0.00 C ATOM 502 CG ASP A 36 -6.976 5.034 5.279 1.00 0.00 C ATOM 503 OD1 ASP A 36 -6.617 3.880 5.107 1.00 0.00 O ATOM 504 OD2 ASP A 36 -8.110 5.433 5.073 1.00 0.00 O ATOM 0 H ASP A 36 -4.254 5.625 8.421 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.663 4.311 5.903 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.386 6.688 6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.616 6.684 4.965 1.00 0.00 H new ATOM 509 N ILE A 37 -2.880 5.931 4.949 1.00 0.00 N ATOM 510 CA ILE A 37 -1.630 6.679 4.632 1.00 0.00 C ATOM 511 C ILE A 37 -1.890 7.626 3.459 1.00 0.00 C ATOM 512 O ILE A 37 -2.578 7.287 2.517 1.00 0.00 O ATOM 513 CB ILE A 37 -0.520 5.693 4.251 1.00 0.00 C ATOM 514 CG1 ILE A 37 -0.727 4.370 4.993 1.00 0.00 C ATOM 515 CG2 ILE A 37 0.842 6.279 4.635 1.00 0.00 C ATOM 516 CD1 ILE A 37 0.198 3.304 4.404 1.00 0.00 C ATOM 0 H ILE A 37 -3.216 5.315 4.209 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.320 7.252 5.506 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.553 5.516 3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.519 4.500 6.055 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.766 4.052 4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.630 5.577 4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.996 7.219 4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.871 6.459 5.710 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.051 2.362 4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.031 3.167 3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.235 3.622 4.512 1.00 0.00 H new ATOM 528 N SER A 38 -1.347 8.811 3.506 1.00 0.00 N ATOM 529 CA SER A 38 -1.567 9.774 2.391 1.00 0.00 C ATOM 530 C SER A 38 -0.317 9.825 1.509 1.00 0.00 C ATOM 531 O SER A 38 0.653 9.138 1.753 1.00 0.00 O ATOM 532 CB SER A 38 -1.844 11.164 2.964 1.00 0.00 C ATOM 533 OG SER A 38 -3.064 11.137 3.692 1.00 0.00 O ATOM 0 H SER A 38 -0.761 9.154 4.267 1.00 0.00 H new ATOM 0 HA SER A 38 -2.420 9.451 1.795 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.025 11.471 3.615 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.904 11.897 2.159 1.00 0.00 H new ATOM 0 HG SER A 38 -3.244 12.026 4.062 1.00 0.00 H new ATOM 539 N THR A 39 -0.332 10.636 0.486 1.00 0.00 N ATOM 540 CA THR A 39 0.856 10.727 -0.409 1.00 0.00 C ATOM 541 C THR A 39 2.019 11.369 0.352 1.00 0.00 C ATOM 542 O THR A 39 3.146 11.369 -0.105 1.00 0.00 O ATOM 543 CB THR A 39 0.513 11.583 -1.631 1.00 0.00 C ATOM 544 OG1 THR A 39 0.248 12.916 -1.217 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.722 11.008 -2.328 1.00 0.00 C ATOM 0 H THR A 39 -1.115 11.239 0.232 1.00 0.00 H new ATOM 0 HA THR A 39 1.141 9.727 -0.735 1.00 0.00 H new ATOM 0 HB THR A 39 1.354 11.579 -2.324 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.030 13.464 -1.999 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.966 11.618 -3.198 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.517 9.986 -2.647 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.564 11.010 -1.636 1.00 0.00 H new ATOM 553 N LYS A 40 1.757 11.917 1.507 1.00 0.00 N ATOM 554 CA LYS A 40 2.850 12.558 2.292 1.00 0.00 C ATOM 555 C LYS A 40 3.560 11.499 3.139 1.00 0.00 C ATOM 556 O LYS A 40 4.709 11.177 2.914 1.00 0.00 O ATOM 557 CB LYS A 40 2.258 13.633 3.208 1.00 0.00 C ATOM 558 CG LYS A 40 2.531 15.018 2.615 1.00 0.00 C ATOM 559 CD LYS A 40 3.230 15.891 3.659 1.00 0.00 C ATOM 560 CE LYS A 40 4.725 15.961 3.347 1.00 0.00 C ATOM 561 NZ LYS A 40 5.175 17.382 3.392 1.00 0.00 N ATOM 0 H LYS A 40 0.834 11.949 1.941 1.00 0.00 H new ATOM 0 HA LYS A 40 3.566 13.016 1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.185 13.479 3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.696 13.559 4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.154 14.928 1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.596 15.483 2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.800 16.893 3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.075 15.479 4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.286 15.367 4.069 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.922 15.537 2.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.192 17.431 3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.647 17.936 2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.000 17.772 4.340 1.00 0.00 H new ATOM 575 N GLU A 41 2.884 10.956 4.115 1.00 0.00 N ATOM 576 CA GLU A 41 3.521 9.919 4.978 1.00 0.00 C ATOM 577 C GLU A 41 3.867 8.692 4.133 1.00 0.00 C ATOM 578 O GLU A 41 4.741 7.920 4.473 1.00 0.00 O ATOM 579 CB GLU A 41 2.552 9.514 6.090 1.00 0.00 C ATOM 580 CG GLU A 41 3.207 8.455 6.978 1.00 0.00 C ATOM 581 CD GLU A 41 3.422 9.025 8.382 1.00 0.00 C ATOM 582 OE1 GLU A 41 2.558 9.751 8.843 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.448 8.726 8.971 1.00 0.00 O ATOM 0 H GLU A 41 1.919 11.185 4.352 1.00 0.00 H new ATOM 0 HA GLU A 41 4.431 10.325 5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.281 10.386 6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.630 9.123 5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.577 7.567 7.028 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.161 8.146 6.550 1.00 0.00 H new ATOM 590 N LEU A 42 3.188 8.504 3.034 1.00 0.00 N ATOM 591 CA LEU A 42 3.480 7.325 2.171 1.00 0.00 C ATOM 592 C LEU A 42 4.818 7.533 1.460 1.00 0.00 C ATOM 593 O LEU A 42 5.566 6.601 1.239 1.00 0.00 O ATOM 594 CB LEU A 42 2.368 7.165 1.133 1.00 0.00 C ATOM 595 CG LEU A 42 2.796 6.144 0.079 1.00 0.00 C ATOM 596 CD1 LEU A 42 1.565 5.402 -0.443 1.00 0.00 C ATOM 597 CD2 LEU A 42 3.484 6.869 -1.080 1.00 0.00 C ATOM 0 H LEU A 42 2.444 9.116 2.697 1.00 0.00 H new ATOM 0 HA LEU A 42 3.533 6.427 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.448 6.839 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.157 8.124 0.660 1.00 0.00 H new ATOM 0 HG LEU A 42 3.488 5.429 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.871 4.674 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.073 4.887 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.872 6.115 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.790 6.143 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.791 7.583 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.361 7.398 -0.708 1.00 0.00 H new ATOM 609 N GLY A 43 5.126 8.749 1.101 1.00 0.00 N ATOM 610 CA GLY A 43 6.416 9.015 0.404 1.00 0.00 C ATOM 611 C GLY A 43 7.538 9.148 1.436 1.00 0.00 C ATOM 612 O GLY A 43 8.704 9.169 1.100 1.00 0.00 O ATOM 0 H GLY A 43 4.541 9.569 1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.640 8.205 -0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.341 9.928 -0.186 1.00 0.00 H new ATOM 616 N THR A 44 7.193 9.236 2.692 1.00 0.00 N ATOM 617 CA THR A 44 8.240 9.368 3.744 1.00 0.00 C ATOM 618 C THR A 44 8.864 7.999 4.022 1.00 0.00 C ATOM 619 O THR A 44 10.031 7.891 4.344 1.00 0.00 O ATOM 620 CB THR A 44 7.607 9.908 5.029 1.00 0.00 C ATOM 621 OG1 THR A 44 6.570 9.031 5.449 1.00 0.00 O ATOM 622 CG2 THR A 44 7.027 11.299 4.770 1.00 0.00 C ATOM 0 H THR A 44 6.232 9.222 3.034 1.00 0.00 H new ATOM 0 HA THR A 44 9.013 10.056 3.400 1.00 0.00 H new ATOM 0 HB THR A 44 8.366 9.974 5.808 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.316 8.445 4.706 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.577 11.682 5.686 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.823 11.971 4.448 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.267 11.237 3.991 1.00 0.00 H new ATOM 630 N VAL A 45 8.096 6.951 3.898 1.00 0.00 N ATOM 631 CA VAL A 45 8.647 5.590 4.153 1.00 0.00 C ATOM 632 C VAL A 45 9.628 5.226 3.039 1.00 0.00 C ATOM 633 O VAL A 45 10.646 4.605 3.273 1.00 0.00 O ATOM 634 CB VAL A 45 7.506 4.570 4.183 1.00 0.00 C ATOM 635 CG1 VAL A 45 6.608 4.767 2.962 1.00 0.00 C ATOM 636 CG2 VAL A 45 8.091 3.155 4.158 1.00 0.00 C ATOM 0 H VAL A 45 7.112 6.978 3.631 1.00 0.00 H new ATOM 0 HA VAL A 45 9.163 5.580 5.113 1.00 0.00 H new ATOM 0 HB VAL A 45 6.919 4.710 5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.797 4.040 2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.192 5.775 2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.194 4.628 2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.281 2.426 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.677 3.020 3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.732 3.011 5.028 1.00 0.00 H new ATOM 646 N MET A 46 9.333 5.615 1.830 1.00 0.00 N ATOM 647 CA MET A 46 10.250 5.300 0.700 1.00 0.00 C ATOM 648 C MET A 46 11.287 6.415 0.576 1.00 0.00 C ATOM 649 O MET A 46 12.326 6.249 -0.033 1.00 0.00 O ATOM 650 CB MET A 46 9.447 5.200 -0.598 1.00 0.00 C ATOM 651 CG MET A 46 9.550 3.778 -1.154 1.00 0.00 C ATOM 652 SD MET A 46 8.426 2.690 -0.243 1.00 0.00 S ATOM 653 CE MET A 46 6.889 3.551 -0.652 1.00 0.00 C ATOM 0 H MET A 46 8.495 6.138 1.576 1.00 0.00 H new ATOM 0 HA MET A 46 10.751 4.350 0.885 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.403 5.455 -0.413 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.825 5.916 -1.328 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.299 3.772 -2.215 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.574 3.415 -1.067 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.051 2.858 -0.570 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.742 4.381 0.039 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.946 3.933 -1.671 1.00 0.00 H new ATOM 663 N ARG A 47 11.012 7.554 1.152 1.00 0.00 N ATOM 664 CA ARG A 47 11.978 8.685 1.073 1.00 0.00 C ATOM 665 C ARG A 47 13.231 8.340 1.876 1.00 0.00 C ATOM 666 O ARG A 47 14.342 8.566 1.439 1.00 0.00 O ATOM 667 CB ARG A 47 11.333 9.946 1.653 1.00 0.00 C ATOM 668 CG ARG A 47 12.402 11.022 1.851 1.00 0.00 C ATOM 669 CD ARG A 47 12.590 11.289 3.345 1.00 0.00 C ATOM 670 NE ARG A 47 14.019 11.612 3.613 1.00 0.00 N ATOM 671 CZ ARG A 47 14.358 12.192 4.731 1.00 0.00 C ATOM 672 NH1 ARG A 47 13.695 13.232 5.154 1.00 0.00 N ATOM 673 NH2 ARG A 47 15.360 11.731 5.429 1.00 0.00 N ATOM 0 H ARG A 47 10.158 7.749 1.675 1.00 0.00 H new ATOM 0 HA ARG A 47 12.250 8.860 0.032 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.555 10.311 0.982 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.852 9.717 2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.344 10.699 1.408 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.108 11.940 1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.953 12.115 3.661 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.289 10.415 3.923 1.00 0.00 H new ATOM 0 HE ARG A 47 14.733 11.380 2.922 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.911 13.592 4.611 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.961 13.685 6.028 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.879 10.917 5.100 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.624 12.185 6.303 1.00 0.00 H new ATOM 687 N MET A 48 13.064 7.797 3.050 1.00 0.00 N ATOM 688 CA MET A 48 14.249 7.441 3.879 1.00 0.00 C ATOM 689 C MET A 48 14.770 6.065 3.459 1.00 0.00 C ATOM 690 O MET A 48 15.958 5.808 3.482 1.00 0.00 O ATOM 691 CB MET A 48 13.850 7.415 5.357 1.00 0.00 C ATOM 692 CG MET A 48 12.953 6.206 5.628 1.00 0.00 C ATOM 693 SD MET A 48 13.978 4.777 6.058 1.00 0.00 S ATOM 694 CE MET A 48 13.658 4.794 7.839 1.00 0.00 C ATOM 0 H MET A 48 12.159 7.585 3.471 1.00 0.00 H new ATOM 0 HA MET A 48 15.034 8.183 3.732 1.00 0.00 H new ATOM 0 HB2 MET A 48 14.741 7.367 5.983 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.326 8.334 5.618 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.261 6.428 6.440 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.350 5.983 4.748 1.00 0.00 H new ATOM 0 HE1 MET A 48 14.203 3.979 8.314 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.988 5.744 8.259 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.590 4.669 8.018 1.00 0.00 H new ATOM 704 N LEU A 49 13.893 5.179 3.076 1.00 0.00 N ATOM 705 CA LEU A 49 14.339 3.821 2.655 1.00 0.00 C ATOM 706 C LEU A 49 14.603 3.807 1.146 1.00 0.00 C ATOM 707 O LEU A 49 14.672 2.761 0.533 1.00 0.00 O ATOM 708 CB LEU A 49 13.249 2.802 2.992 1.00 0.00 C ATOM 709 CG LEU A 49 13.813 1.386 2.860 1.00 0.00 C ATOM 710 CD1 LEU A 49 13.429 0.567 4.094 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.236 0.722 1.608 1.00 0.00 C ATOM 0 H LEU A 49 12.886 5.337 3.036 1.00 0.00 H new ATOM 0 HA LEU A 49 15.257 3.563 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.884 2.966 4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.398 2.929 2.323 1.00 0.00 H new ATOM 0 HG LEU A 49 14.899 1.434 2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.831 -0.442 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.839 1.040 4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.343 0.519 4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.637 -0.287 1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.150 0.674 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.509 1.305 0.728 1.00 0.00 H new ATOM 723 N GLY A 50 14.745 4.955 0.537 1.00 0.00 N ATOM 724 CA GLY A 50 14.999 4.983 -0.933 1.00 0.00 C ATOM 725 C GLY A 50 15.508 6.364 -1.355 1.00 0.00 C ATOM 726 O GLY A 50 16.660 6.698 -1.157 1.00 0.00 O ATOM 0 H GLY A 50 14.697 5.868 0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.732 4.221 -1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.082 4.745 -1.473 1.00 0.00 H new ATOM 730 N GLN A 51 14.661 7.167 -1.940 1.00 0.00 N ATOM 731 CA GLN A 51 15.091 8.524 -2.384 1.00 0.00 C ATOM 732 C GLN A 51 13.984 9.506 -2.061 1.00 0.00 C ATOM 733 O GLN A 51 12.833 9.125 -1.972 1.00 0.00 O ATOM 734 CB GLN A 51 15.287 8.546 -3.903 1.00 0.00 C ATOM 735 CG GLN A 51 15.385 7.120 -4.450 1.00 0.00 C ATOM 736 CD GLN A 51 16.716 6.496 -4.027 1.00 0.00 C ATOM 737 OE1 GLN A 51 17.573 7.171 -3.492 1.00 0.00 O ATOM 738 NE2 GLN A 51 16.927 5.227 -4.246 1.00 0.00 N ATOM 0 H GLN A 51 13.685 6.940 -2.130 1.00 0.00 H new ATOM 0 HA GLN A 51 16.023 8.783 -1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 51 14.454 9.067 -4.376 1.00 0.00 H new ATOM 0 HB3 GLN A 51 16.192 9.100 -4.151 1.00 0.00 H new ATOM 0 HG2 GLN A 51 14.556 6.519 -4.077 1.00 0.00 H new ATOM 0 HG3 GLN A 51 15.307 7.131 -5.537 1.00 0.00 H new ATOM 0 HE21 GLN A 51 16.207 4.660 -4.695 1.00 0.00 H new ATOM 0 HE22 GLN A 51 17.811 4.802 -3.968 1.00 0.00 H new ATOM 747 N ASN A 52 14.272 10.769 -1.920 1.00 0.00 N ATOM 748 CA ASN A 52 13.140 11.672 -1.654 1.00 0.00 C ATOM 749 C ASN A 52 12.288 11.643 -2.921 1.00 0.00 C ATOM 750 O ASN A 52 12.798 11.853 -4.003 1.00 0.00 O ATOM 751 CB ASN A 52 13.648 13.093 -1.411 1.00 0.00 C ATOM 752 CG ASN A 52 14.275 13.182 -0.019 1.00 0.00 C ATOM 753 OD1 ASN A 52 15.076 12.347 0.353 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.942 14.164 0.772 1.00 0.00 N ATOM 0 H ASN A 52 15.198 11.193 -1.975 1.00 0.00 H new ATOM 0 HA ASN A 52 12.578 11.364 -0.773 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.383 13.362 -2.170 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.826 13.804 -1.497 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.354 14.231 1.703 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.270 14.865 0.460 1.00 0.00 H new ATOM 761 N PRO A 53 11.025 11.388 -2.763 1.00 0.00 N ATOM 762 CA PRO A 53 10.096 11.331 -3.892 1.00 0.00 C ATOM 763 C PRO A 53 9.444 12.699 -4.121 1.00 0.00 C ATOM 764 O PRO A 53 9.749 13.664 -3.448 1.00 0.00 O ATOM 765 CB PRO A 53 9.068 10.306 -3.417 1.00 0.00 C ATOM 766 CG PRO A 53 9.134 10.304 -1.867 1.00 0.00 C ATOM 767 CD PRO A 53 10.408 11.065 -1.469 1.00 0.00 C ATOM 0 HA PRO A 53 10.566 11.067 -4.839 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.068 10.570 -3.763 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.293 9.317 -3.816 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.251 10.782 -1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.159 9.284 -1.484 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.178 11.964 -0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.066 10.454 -0.851 1.00 0.00 H new ATOM 775 N THR A 54 8.548 12.786 -5.064 1.00 0.00 N ATOM 776 CA THR A 54 7.871 14.085 -5.337 1.00 0.00 C ATOM 777 C THR A 54 6.434 14.022 -4.816 1.00 0.00 C ATOM 778 O THR A 54 5.881 12.957 -4.625 1.00 0.00 O ATOM 779 CB THR A 54 7.856 14.342 -6.845 1.00 0.00 C ATOM 780 OG1 THR A 54 9.086 13.911 -7.410 1.00 0.00 O ATOM 781 CG2 THR A 54 7.667 15.837 -7.110 1.00 0.00 C ATOM 0 H THR A 54 8.254 12.011 -5.659 1.00 0.00 H new ATOM 0 HA THR A 54 8.407 14.892 -4.837 1.00 0.00 H new ATOM 0 HB THR A 54 7.033 13.789 -7.299 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.077 14.074 -8.376 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.657 16.018 -8.185 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.722 16.167 -6.678 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.487 16.393 -6.657 1.00 0.00 H new ATOM 789 N LYS A 55 5.823 15.150 -4.585 1.00 0.00 N ATOM 790 CA LYS A 55 4.421 15.140 -4.079 1.00 0.00 C ATOM 791 C LYS A 55 3.526 14.439 -5.097 1.00 0.00 C ATOM 792 O LYS A 55 2.590 13.749 -4.746 1.00 0.00 O ATOM 793 CB LYS A 55 3.930 16.575 -3.886 1.00 0.00 C ATOM 794 CG LYS A 55 2.509 16.556 -3.315 1.00 0.00 C ATOM 795 CD LYS A 55 2.438 15.567 -2.148 1.00 0.00 C ATOM 796 CE LYS A 55 1.471 16.095 -1.087 1.00 0.00 C ATOM 797 NZ LYS A 55 2.056 17.302 -0.438 1.00 0.00 N ATOM 0 H LYS A 55 6.231 16.075 -4.724 1.00 0.00 H new ATOM 0 HA LYS A 55 4.385 14.614 -3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.597 17.111 -3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.944 17.107 -4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.229 17.554 -2.977 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.798 16.271 -4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.106 14.592 -2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.429 15.428 -1.715 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.513 16.343 -1.544 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.278 15.325 -0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.706 17.375 0.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.093 17.223 -0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.778 18.151 -0.970 1.00 0.00 H new ATOM 811 N GLU A 56 3.806 14.612 -6.359 1.00 0.00 N ATOM 812 CA GLU A 56 2.970 13.958 -7.399 1.00 0.00 C ATOM 813 C GLU A 56 3.543 12.576 -7.715 1.00 0.00 C ATOM 814 O GLU A 56 2.909 11.761 -8.355 1.00 0.00 O ATOM 815 CB GLU A 56 2.963 14.815 -8.667 1.00 0.00 C ATOM 816 CG GLU A 56 4.373 14.866 -9.259 1.00 0.00 C ATOM 817 CD GLU A 56 4.443 15.971 -10.315 1.00 0.00 C ATOM 818 OE1 GLU A 56 3.548 16.031 -11.141 1.00 0.00 O ATOM 819 OE2 GLU A 56 5.392 16.736 -10.279 1.00 0.00 O ATOM 0 H GLU A 56 4.577 15.178 -6.713 1.00 0.00 H new ATOM 0 HA GLU A 56 1.949 13.853 -7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.267 14.399 -9.395 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.618 15.823 -8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.103 15.054 -8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.626 13.905 -9.706 1.00 0.00 H new ATOM 826 N GLU A 57 4.739 12.303 -7.266 1.00 0.00 N ATOM 827 CA GLU A 57 5.351 10.973 -7.538 1.00 0.00 C ATOM 828 C GLU A 57 4.513 9.889 -6.861 1.00 0.00 C ATOM 829 O GLU A 57 4.231 8.857 -7.438 1.00 0.00 O ATOM 830 CB GLU A 57 6.774 10.941 -6.979 1.00 0.00 C ATOM 831 CG GLU A 57 7.508 9.710 -7.517 1.00 0.00 C ATOM 832 CD GLU A 57 8.263 9.027 -6.375 1.00 0.00 C ATOM 833 OE1 GLU A 57 7.741 9.010 -5.273 1.00 0.00 O ATOM 834 OE2 GLU A 57 9.350 8.531 -6.622 1.00 0.00 O ATOM 0 H GLU A 57 5.317 12.944 -6.723 1.00 0.00 H new ATOM 0 HA GLU A 57 5.382 10.796 -8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.308 11.848 -7.263 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.747 10.914 -5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.796 9.015 -7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.204 10.003 -8.303 1.00 0.00 H new ATOM 841 N LEU A 58 4.106 10.118 -5.643 1.00 0.00 N ATOM 842 CA LEU A 58 3.279 9.103 -4.932 1.00 0.00 C ATOM 843 C LEU A 58 1.895 9.052 -5.577 1.00 0.00 C ATOM 844 O LEU A 58 1.183 8.076 -5.462 1.00 0.00 O ATOM 845 CB LEU A 58 3.142 9.487 -3.455 1.00 0.00 C ATOM 846 CG LEU A 58 4.509 9.426 -2.763 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.287 8.198 -3.244 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.302 10.694 -3.093 1.00 0.00 C ATOM 0 H LEU A 58 4.310 10.963 -5.110 1.00 0.00 H new ATOM 0 HA LEU A 58 3.758 8.126 -5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.728 10.492 -3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.445 8.812 -2.959 1.00 0.00 H new ATOM 0 HG LEU A 58 4.361 9.354 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.256 8.164 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.725 7.295 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.434 8.260 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.274 10.653 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.443 10.765 -4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.754 11.568 -2.740 1.00 0.00 H new ATOM 860 N ASP A 59 1.514 10.097 -6.261 1.00 0.00 N ATOM 861 CA ASP A 59 0.179 10.109 -6.921 1.00 0.00 C ATOM 862 C ASP A 59 0.173 9.090 -8.063 1.00 0.00 C ATOM 863 O ASP A 59 -0.855 8.547 -8.417 1.00 0.00 O ATOM 864 CB ASP A 59 -0.101 11.506 -7.478 1.00 0.00 C ATOM 865 CG ASP A 59 -1.251 12.146 -6.698 1.00 0.00 C ATOM 866 OD1 ASP A 59 -2.374 11.702 -6.867 1.00 0.00 O ATOM 867 OD2 ASP A 59 -0.989 13.069 -5.945 1.00 0.00 O ATOM 0 H ASP A 59 2.070 10.942 -6.391 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.592 9.849 -6.196 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.793 12.125 -7.402 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.356 11.443 -8.536 1.00 0.00 H new ATOM 872 N ALA A 60 1.314 8.824 -8.637 1.00 0.00 N ATOM 873 CA ALA A 60 1.377 7.838 -9.752 1.00 0.00 C ATOM 874 C ALA A 60 0.885 6.481 -9.248 1.00 0.00 C ATOM 875 O ALA A 60 0.264 5.726 -9.970 1.00 0.00 O ATOM 876 CB ALA A 60 2.822 7.709 -10.241 1.00 0.00 C ATOM 0 H ALA A 60 2.206 9.247 -8.382 1.00 0.00 H new ATOM 0 HA ALA A 60 0.748 8.175 -10.576 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.867 6.987 -11.057 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.175 8.678 -10.594 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.455 7.369 -9.421 1.00 0.00 H new ATOM 882 N ILE A 61 1.150 6.171 -8.010 1.00 0.00 N ATOM 883 CA ILE A 61 0.694 4.868 -7.449 1.00 0.00 C ATOM 884 C ILE A 61 -0.703 5.045 -6.859 1.00 0.00 C ATOM 885 O ILE A 61 -1.514 4.141 -6.869 1.00 0.00 O ATOM 886 CB ILE A 61 1.650 4.422 -6.342 1.00 0.00 C ATOM 887 CG1 ILE A 61 3.071 4.875 -6.669 1.00 0.00 C ATOM 888 CG2 ILE A 61 1.624 2.902 -6.218 1.00 0.00 C ATOM 889 CD1 ILE A 61 3.491 5.946 -5.669 1.00 0.00 C ATOM 0 H ILE A 61 1.664 6.765 -7.360 1.00 0.00 H new ATOM 0 HA ILE A 61 0.677 4.117 -8.238 1.00 0.00 H new ATOM 0 HB ILE A 61 1.333 4.871 -5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.756 4.028 -6.624 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.117 5.269 -7.684 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.307 2.590 -5.428 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.613 2.574 -5.975 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.933 2.455 -7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.505 6.276 -5.894 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.810 6.794 -5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.459 5.534 -4.660 1.00 0.00 H new ATOM 901 N ILE A 62 -0.987 6.208 -6.341 1.00 0.00 N ATOM 902 CA ILE A 62 -2.327 6.454 -5.745 1.00 0.00 C ATOM 903 C ILE A 62 -3.406 6.072 -6.759 1.00 0.00 C ATOM 904 O ILE A 62 -4.447 5.553 -6.408 1.00 0.00 O ATOM 905 CB ILE A 62 -2.458 7.936 -5.379 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.634 8.219 -4.121 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.925 8.278 -5.109 1.00 0.00 C ATOM 908 CD1 ILE A 62 -2.077 7.280 -2.997 1.00 0.00 C ATOM 0 H ILE A 62 -0.345 7.000 -6.305 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.447 5.852 -4.845 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.094 8.545 -6.206 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.573 8.079 -4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.764 9.257 -3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.011 9.333 -4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.516 8.075 -6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.294 7.670 -4.283 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.490 7.482 -2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.133 7.442 -2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.924 6.246 -3.305 1.00 0.00 H new ATOM 920 N GLU A 63 -3.162 6.321 -8.018 1.00 0.00 N ATOM 921 CA GLU A 63 -4.170 5.967 -9.056 1.00 0.00 C ATOM 922 C GLU A 63 -4.102 4.464 -9.329 1.00 0.00 C ATOM 923 O GLU A 63 -5.095 3.830 -9.621 1.00 0.00 O ATOM 924 CB GLU A 63 -3.868 6.737 -10.345 1.00 0.00 C ATOM 925 CG GLU A 63 -4.976 7.761 -10.599 1.00 0.00 C ATOM 926 CD GLU A 63 -4.928 8.214 -12.060 1.00 0.00 C ATOM 927 OE1 GLU A 63 -3.895 8.716 -12.471 1.00 0.00 O ATOM 928 OE2 GLU A 63 -5.927 8.051 -12.743 1.00 0.00 O ATOM 0 H GLU A 63 -2.309 6.754 -8.371 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.168 6.230 -8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.905 7.240 -10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.797 6.047 -11.185 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.949 7.323 -10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.852 8.618 -9.937 1.00 0.00 H new ATOM 935 N GLU A 64 -2.934 3.890 -9.231 1.00 0.00 N ATOM 936 CA GLU A 64 -2.797 2.426 -9.480 1.00 0.00 C ATOM 937 C GLU A 64 -3.497 1.655 -8.359 1.00 0.00 C ATOM 938 O GLU A 64 -3.703 0.461 -8.449 1.00 0.00 O ATOM 939 CB GLU A 64 -1.314 2.049 -9.507 1.00 0.00 C ATOM 940 CG GLU A 64 -1.173 0.526 -9.476 1.00 0.00 C ATOM 941 CD GLU A 64 -1.981 -0.087 -10.623 1.00 0.00 C ATOM 942 OE1 GLU A 64 -1.770 0.321 -11.754 1.00 0.00 O ATOM 943 OE2 GLU A 64 -2.796 -0.952 -10.351 1.00 0.00 O ATOM 0 H GLU A 64 -2.068 4.372 -8.989 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.253 2.175 -10.438 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.842 2.450 -10.404 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.800 2.490 -8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.124 0.246 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.526 0.137 -8.521 1.00 0.00 H new ATOM 950 N VAL A 65 -3.866 2.329 -7.305 1.00 0.00 N ATOM 951 CA VAL A 65 -4.554 1.637 -6.178 1.00 0.00 C ATOM 952 C VAL A 65 -5.725 2.499 -5.702 1.00 0.00 C ATOM 953 O VAL A 65 -6.875 2.129 -5.829 1.00 0.00 O ATOM 954 CB VAL A 65 -3.574 1.424 -5.018 1.00 0.00 C ATOM 955 CG1 VAL A 65 -3.880 0.090 -4.333 1.00 0.00 C ATOM 956 CG2 VAL A 65 -2.136 1.403 -5.545 1.00 0.00 C ATOM 0 H VAL A 65 -3.721 3.330 -7.175 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.920 0.668 -6.518 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.683 2.240 -4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.184 -0.063 -3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.900 0.103 -3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.774 -0.722 -5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.446 1.251 -4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.024 0.591 -6.263 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.913 2.352 -6.033 1.00 0.00 H new ATOM 966 N ASP A 66 -5.439 3.651 -5.160 1.00 0.00 N ATOM 967 CA ASP A 66 -6.532 4.544 -4.681 1.00 0.00 C ATOM 968 C ASP A 66 -7.326 5.056 -5.884 1.00 0.00 C ATOM 969 O ASP A 66 -7.055 6.114 -6.416 1.00 0.00 O ATOM 970 CB ASP A 66 -5.925 5.729 -3.926 1.00 0.00 C ATOM 971 CG ASP A 66 -7.036 6.692 -3.502 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.601 6.483 -2.442 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.301 7.621 -4.245 1.00 0.00 O ATOM 0 H ASP A 66 -4.495 4.013 -5.028 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.194 3.991 -4.015 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.383 5.375 -3.049 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.204 6.246 -4.559 1.00 0.00 H new ATOM 978 N GLU A 67 -8.303 4.311 -6.322 1.00 0.00 N ATOM 979 CA GLU A 67 -9.109 4.752 -7.495 1.00 0.00 C ATOM 980 C GLU A 67 -10.216 5.700 -7.033 1.00 0.00 C ATOM 981 O GLU A 67 -10.689 6.530 -7.784 1.00 0.00 O ATOM 982 CB GLU A 67 -9.733 3.531 -8.172 1.00 0.00 C ATOM 983 CG GLU A 67 -10.220 3.915 -9.570 1.00 0.00 C ATOM 984 CD GLU A 67 -9.145 3.564 -10.600 1.00 0.00 C ATOM 985 OE1 GLU A 67 -8.034 3.267 -10.190 1.00 0.00 O ATOM 986 OE2 GLU A 67 -9.450 3.599 -11.780 1.00 0.00 O ATOM 0 H GLU A 67 -8.578 3.416 -5.918 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.462 5.271 -8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.001 2.726 -8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.565 3.157 -7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.146 3.388 -9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.442 4.982 -9.609 1.00 0.00 H new ATOM 993 N ASP A 68 -10.636 5.587 -5.803 1.00 0.00 N ATOM 994 CA ASP A 68 -11.714 6.486 -5.302 1.00 0.00 C ATOM 995 C ASP A 68 -11.346 7.941 -5.606 1.00 0.00 C ATOM 996 O ASP A 68 -11.980 8.595 -6.408 1.00 0.00 O ATOM 997 CB ASP A 68 -11.872 6.303 -3.791 1.00 0.00 C ATOM 998 CG ASP A 68 -13.156 6.991 -3.327 1.00 0.00 C ATOM 999 OD1 ASP A 68 -13.133 8.200 -3.172 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -14.141 6.297 -3.134 1.00 0.00 O ATOM 0 H ASP A 68 -10.281 4.913 -5.125 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.653 6.238 -5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.905 5.242 -3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.012 6.725 -3.271 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.326 8.451 -4.972 1.00 0.00 N ATOM 1006 CA GLY A 69 -9.921 9.862 -5.229 1.00 0.00 C ATOM 1007 C GLY A 69 -9.417 10.497 -3.931 1.00 0.00 C ATOM 1008 O GLY A 69 -8.830 11.561 -3.937 1.00 0.00 O ATOM 0 H GLY A 69 -9.756 7.953 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.140 9.894 -5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.767 10.429 -5.618 1.00 0.00 H new ATOM 1012 N SER A 70 -9.641 9.854 -2.817 1.00 0.00 N ATOM 1013 CA SER A 70 -9.175 10.422 -1.522 1.00 0.00 C ATOM 1014 C SER A 70 -7.672 10.697 -1.592 1.00 0.00 C ATOM 1015 O SER A 70 -7.139 11.484 -0.834 1.00 0.00 O ATOM 1016 CB SER A 70 -9.459 9.426 -0.395 1.00 0.00 C ATOM 1017 OG SER A 70 -10.411 9.988 0.498 1.00 0.00 O ATOM 0 H SER A 70 -10.127 8.960 -2.749 1.00 0.00 H new ATOM 0 HA SER A 70 -9.705 11.354 -1.326 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.838 8.491 -0.807 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.538 9.190 0.138 1.00 0.00 H new ATOM 0 HG SER A 70 -10.597 9.352 1.220 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.982 10.057 -2.497 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.513 10.285 -2.613 1.00 0.00 C ATOM 1025 C GLY A 71 -4.794 9.585 -1.460 1.00 0.00 C ATOM 1026 O GLY A 71 -3.771 10.039 -0.986 1.00 0.00 O ATOM 0 H GLY A 71 -7.371 9.387 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.150 9.903 -3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.298 11.353 -2.594 1.00 0.00 H new ATOM 1030 N THR A 72 -5.320 8.482 -1.003 1.00 0.00 N ATOM 1031 CA THR A 72 -4.666 7.752 0.121 1.00 0.00 C ATOM 1032 C THR A 72 -5.125 6.292 0.111 1.00 0.00 C ATOM 1033 O THR A 72 -6.174 5.966 -0.409 1.00 0.00 O ATOM 1034 CB THR A 72 -5.047 8.401 1.458 1.00 0.00 C ATOM 1035 OG1 THR A 72 -5.166 7.394 2.453 1.00 0.00 O ATOM 1036 CG2 THR A 72 -6.379 9.143 1.321 1.00 0.00 C ATOM 0 H THR A 72 -6.175 8.054 -1.359 1.00 0.00 H new ATOM 0 HA THR A 72 -3.584 7.797 -0.001 1.00 0.00 H new ATOM 0 HB THR A 72 -4.272 9.112 1.744 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.294 7.246 2.875 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.641 9.600 2.275 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.287 9.918 0.560 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.159 8.440 1.030 1.00 0.00 H new ATOM 1044 N ILE A 73 -4.347 5.409 0.677 1.00 0.00 N ATOM 1045 CA ILE A 73 -4.739 3.973 0.691 1.00 0.00 C ATOM 1046 C ILE A 73 -4.574 3.403 2.102 1.00 0.00 C ATOM 1047 O ILE A 73 -3.732 3.835 2.863 1.00 0.00 O ATOM 1048 CB ILE A 73 -3.844 3.195 -0.276 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -3.846 3.886 -1.641 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -4.374 1.768 -0.427 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -2.410 4.005 -2.156 1.00 0.00 C ATOM 0 H ILE A 73 -3.458 5.621 1.130 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.781 3.882 0.385 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.827 3.165 0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.451 3.317 -2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.297 4.875 -1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.736 1.214 -1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.373 1.275 0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.391 1.797 -0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.412 4.497 -3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.819 4.592 -1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.975 3.010 -2.254 1.00 0.00 H new ATOM 1063 N ASP A 74 -5.369 2.428 2.454 1.00 0.00 N ATOM 1064 CA ASP A 74 -5.251 1.824 3.811 1.00 0.00 C ATOM 1065 C ASP A 74 -4.194 0.720 3.777 1.00 0.00 C ATOM 1066 O ASP A 74 -3.296 0.736 2.958 1.00 0.00 O ATOM 1067 CB ASP A 74 -6.599 1.228 4.224 1.00 0.00 C ATOM 1068 CG ASP A 74 -6.922 0.029 3.332 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -6.364 -0.046 2.250 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -7.721 -0.795 3.747 1.00 0.00 O ATOM 0 H ASP A 74 -6.094 2.025 1.861 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.960 2.590 4.530 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.567 0.919 5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.383 1.980 4.138 1.00 0.00 H new ATOM 1075 N PHE A 75 -4.288 -0.241 4.655 1.00 0.00 N ATOM 1076 CA PHE A 75 -3.282 -1.338 4.658 1.00 0.00 C ATOM 1077 C PHE A 75 -3.762 -2.467 3.735 1.00 0.00 C ATOM 1078 O PHE A 75 -2.975 -3.220 3.198 1.00 0.00 O ATOM 1079 CB PHE A 75 -3.080 -1.843 6.103 1.00 0.00 C ATOM 1080 CG PHE A 75 -3.809 -3.153 6.337 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -5.208 -3.179 6.375 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -3.081 -4.335 6.515 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -5.879 -4.389 6.590 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -3.753 -5.545 6.731 1.00 0.00 C ATOM 1085 CZ PHE A 75 -5.151 -5.572 6.768 1.00 0.00 C ATOM 0 H PHE A 75 -5.015 -0.313 5.367 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.324 -0.974 4.286 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.016 -1.977 6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.441 -1.093 6.806 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.769 -2.267 6.239 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.002 -4.314 6.486 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.958 -4.410 6.619 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.192 -6.457 6.869 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.669 -6.505 6.934 1.00 0.00 H new ATOM 1095 N GLU A 76 -5.050 -2.586 3.549 1.00 0.00 N ATOM 1096 CA GLU A 76 -5.580 -3.662 2.665 1.00 0.00 C ATOM 1097 C GLU A 76 -5.149 -3.396 1.221 1.00 0.00 C ATOM 1098 O GLU A 76 -4.317 -4.091 0.674 1.00 0.00 O ATOM 1099 CB GLU A 76 -7.107 -3.681 2.745 1.00 0.00 C ATOM 1100 CG GLU A 76 -7.543 -4.175 4.127 1.00 0.00 C ATOM 1101 CD GLU A 76 -9.066 -4.309 4.164 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -9.695 -3.967 3.176 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -9.577 -4.753 5.178 1.00 0.00 O ATOM 0 H GLU A 76 -5.757 -1.984 3.971 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.186 -4.625 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.503 -2.682 2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.514 -4.331 1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.077 -5.136 4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.210 -3.478 4.896 1.00 0.00 H new ATOM 1110 N GLU A 77 -5.709 -2.393 0.600 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.330 -2.084 -0.808 1.00 0.00 C ATOM 1112 C GLU A 77 -3.810 -2.166 -0.956 1.00 0.00 C ATOM 1113 O GLU A 77 -3.297 -2.701 -1.919 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.802 -0.673 -1.165 1.00 0.00 C ATOM 1115 CG GLU A 77 -7.138 -0.754 -1.903 1.00 0.00 C ATOM 1116 CD GLU A 77 -7.301 0.475 -2.802 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -7.065 1.570 -2.322 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -7.656 0.296 -3.955 1.00 0.00 O ATOM 0 H GLU A 77 -6.412 -1.775 1.006 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.800 -2.804 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.910 -0.074 -0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.059 -0.177 -1.789 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.180 -1.664 -2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.958 -0.805 -1.187 1.00 0.00 H new ATOM 1125 N PHE A 78 -3.084 -1.640 -0.009 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.597 -1.687 -0.097 1.00 0.00 C ATOM 1127 C PHE A 78 -1.142 -3.136 -0.290 1.00 0.00 C ATOM 1128 O PHE A 78 -0.377 -3.441 -1.183 1.00 0.00 O ATOM 1129 CB PHE A 78 -0.994 -1.125 1.194 1.00 0.00 C ATOM 1130 CG PHE A 78 0.516 -1.229 1.147 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.171 -1.475 -0.068 1.00 0.00 C ATOM 1132 CD2 PHE A 78 1.259 -1.080 2.323 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.567 -1.571 -0.104 1.00 0.00 C ATOM 1134 CE2 PHE A 78 2.656 -1.177 2.287 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.309 -1.422 1.073 1.00 0.00 C ATOM 0 H PHE A 78 -3.456 -1.180 0.822 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.262 -1.089 -0.944 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.291 -0.084 1.321 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.378 -1.674 2.054 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.598 -1.590 -0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.755 -0.890 3.259 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.071 -1.760 -1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.229 -1.063 3.195 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.386 -1.496 1.045 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.607 -4.029 0.540 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.201 -5.457 0.406 1.00 0.00 C ATOM 1147 C LEU A 79 -1.349 -5.900 -1.053 1.00 0.00 C ATOM 1148 O LEU A 79 -0.545 -6.652 -1.568 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.100 -6.323 1.292 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.282 -6.892 2.452 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.179 -5.849 3.566 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -1.974 -8.146 2.993 1.00 0.00 C ATOM 0 H LEU A 79 -2.251 -3.831 1.306 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.162 -5.569 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.930 -5.730 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.532 -7.134 0.706 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.282 -7.147 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.596 -6.256 4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.690 -4.954 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.178 -5.593 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.393 -8.554 3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.973 -7.888 3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.049 -8.891 2.201 1.00 0.00 H new ATOM 1164 N VAL A 80 -2.373 -5.443 -1.719 1.00 0.00 N ATOM 1165 CA VAL A 80 -2.579 -5.841 -3.141 1.00 0.00 C ATOM 1166 C VAL A 80 -1.364 -5.435 -3.978 1.00 0.00 C ATOM 1167 O VAL A 80 -0.768 -6.244 -4.661 1.00 0.00 O ATOM 1168 CB VAL A 80 -3.824 -5.139 -3.685 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -4.153 -5.682 -5.076 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -5.005 -5.398 -2.747 1.00 0.00 C ATOM 0 H VAL A 80 -3.077 -4.810 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.708 -6.922 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.636 -4.067 -3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.041 -5.180 -5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.313 -5.499 -5.746 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.341 -6.754 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.893 -4.898 -3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.191 -6.470 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.773 -5.010 -1.755 1.00 0.00 H new ATOM 1180 N MET A 81 -0.997 -4.184 -3.936 1.00 0.00 N ATOM 1181 CA MET A 81 0.172 -3.717 -4.734 1.00 0.00 C ATOM 1182 C MET A 81 1.346 -4.685 -4.559 1.00 0.00 C ATOM 1183 O MET A 81 2.025 -5.028 -5.506 1.00 0.00 O ATOM 1184 CB MET A 81 0.581 -2.323 -4.254 1.00 0.00 C ATOM 1185 CG MET A 81 1.948 -1.956 -4.834 1.00 0.00 C ATOM 1186 SD MET A 81 2.319 -0.222 -4.463 1.00 0.00 S ATOM 1187 CE MET A 81 1.610 -0.178 -2.798 1.00 0.00 C ATOM 0 H MET A 81 -1.458 -3.462 -3.382 1.00 0.00 H new ATOM 0 HA MET A 81 -0.101 -3.680 -5.789 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.164 -1.589 -4.562 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.620 -2.300 -3.165 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.718 -2.602 -4.412 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.952 -2.117 -5.912 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.027 0.665 -2.247 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.528 -0.067 -2.866 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.847 -1.105 -2.277 1.00 0.00 H new ATOM 1197 N MET A 82 1.595 -5.125 -3.355 1.00 0.00 N ATOM 1198 CA MET A 82 2.730 -6.064 -3.125 1.00 0.00 C ATOM 1199 C MET A 82 2.481 -7.378 -3.871 1.00 0.00 C ATOM 1200 O MET A 82 3.352 -7.896 -4.542 1.00 0.00 O ATOM 1201 CB MET A 82 2.861 -6.346 -1.628 1.00 0.00 C ATOM 1202 CG MET A 82 3.173 -5.042 -0.890 1.00 0.00 C ATOM 1203 SD MET A 82 4.699 -5.239 0.064 1.00 0.00 S ATOM 1204 CE MET A 82 5.756 -5.784 -1.301 1.00 0.00 C ATOM 0 H MET A 82 1.062 -4.875 -2.522 1.00 0.00 H new ATOM 0 HA MET A 82 3.650 -5.611 -3.496 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.937 -6.780 -1.246 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.652 -7.075 -1.452 1.00 0.00 H new ATOM 0 HG2 MET A 82 3.280 -4.225 -1.603 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.348 -4.780 -0.227 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.779 -5.453 -1.123 1.00 0.00 H new ATOM 0 HE2 MET A 82 5.733 -6.872 -1.367 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.393 -5.356 -2.235 1.00 0.00 H new ATOM 1214 N VAL A 83 1.302 -7.928 -3.755 1.00 0.00 N ATOM 1215 CA VAL A 83 1.007 -9.212 -4.453 1.00 0.00 C ATOM 1216 C VAL A 83 1.112 -9.014 -5.968 1.00 0.00 C ATOM 1217 O VAL A 83 1.194 -9.964 -6.721 1.00 0.00 O ATOM 1218 CB VAL A 83 -0.405 -9.678 -4.090 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -0.849 -10.781 -5.052 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -0.407 -10.223 -2.659 1.00 0.00 C ATOM 0 H VAL A 83 0.532 -7.544 -3.208 1.00 0.00 H new ATOM 0 HA VAL A 83 1.729 -9.967 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.093 -8.836 -4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.855 -11.110 -4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.847 -10.397 -6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.162 -11.624 -4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.412 -10.556 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.283 -11.064 -2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.094 -9.438 -1.970 1.00 0.00 H new ATOM 1230 N ARG A 84 1.115 -7.791 -6.425 1.00 0.00 N ATOM 1231 CA ARG A 84 1.219 -7.547 -7.892 1.00 0.00 C ATOM 1232 C ARG A 84 2.696 -7.467 -8.287 1.00 0.00 C ATOM 1233 O ARG A 84 3.296 -8.448 -8.678 1.00 0.00 O ATOM 1234 CB ARG A 84 0.521 -6.232 -8.245 1.00 0.00 C ATOM 1235 CG ARG A 84 -0.988 -6.470 -8.358 1.00 0.00 C ATOM 1236 CD ARG A 84 -1.545 -5.671 -9.536 1.00 0.00 C ATOM 1237 NE ARG A 84 -1.744 -4.252 -9.124 1.00 0.00 N ATOM 1238 CZ ARG A 84 -2.608 -3.505 -9.754 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -2.508 -3.336 -11.045 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -3.576 -2.930 -9.094 1.00 0.00 N ATOM 0 H ARG A 84 1.050 -6.953 -5.848 1.00 0.00 H new ATOM 0 HA ARG A 84 0.740 -8.363 -8.433 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.726 -5.483 -7.480 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.910 -5.842 -9.186 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.190 -7.532 -8.498 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.484 -6.170 -7.435 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.859 -5.723 -10.381 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.491 -6.101 -9.866 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.205 -3.865 -8.349 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.754 -3.788 -11.562 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.184 -2.752 -11.537 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.657 -3.065 -8.086 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.252 -2.346 -9.586 1.00 0.00 H new ATOM 1254 N GLN A 85 3.288 -6.309 -8.182 1.00 0.00 N ATOM 1255 CA GLN A 85 4.727 -6.174 -8.546 1.00 0.00 C ATOM 1256 C GLN A 85 5.587 -6.595 -7.352 1.00 0.00 C ATOM 1257 O GLN A 85 5.756 -5.853 -6.406 1.00 0.00 O ATOM 1258 CB GLN A 85 5.030 -4.719 -8.908 1.00 0.00 C ATOM 1259 CG GLN A 85 5.138 -4.581 -10.428 1.00 0.00 C ATOM 1260 CD GLN A 85 3.992 -3.709 -10.946 1.00 0.00 C ATOM 1261 OE1 GLN A 85 4.222 -2.687 -11.562 1.00 0.00 O ATOM 1262 NE2 GLN A 85 2.759 -4.071 -10.720 1.00 0.00 N ATOM 0 H GLN A 85 2.838 -5.452 -7.860 1.00 0.00 H new ATOM 0 HA GLN A 85 4.950 -6.810 -9.402 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.243 -4.068 -8.528 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.961 -4.402 -8.437 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.097 -4.137 -10.696 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.101 -5.565 -10.896 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.566 -4.929 -10.203 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.988 -3.496 -11.060 1.00 0.00 H new