USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 501 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 4 THR OG1 : rot 180:sc= -0.137! USER MOD Single : A 5 GLN :FLIP amide:sc= -2.19 F(o=-3.8,f=-2.2) USER MOD Single : A 20 THR OG1 : rot -32:sc= -0.589 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 31 LYS NZ :NH3+ -131:sc= -6.83! (180deg=-10.2!) USER MOD Single : A 32 SER OG : rot 150:sc= -0.801 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -59:sc= -8.67! USER MOD Single : A 44 MET CE :methyl -165:sc= -12.9! (180deg=-16.3!) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.592 F(o=-1.7,f=-0.59) USER MOD Single : A 51 THR OG1 : rot 140:sc= -0.532 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= -0.021 (180deg=-0.021) USER MOD Single : A 55 TYR OH : rot -14:sc= -3.29! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 83:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0695 K(o=-0.07,f=-1.9!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 -9.758 1.694 -8.908 1.00 0.00 N ATOM 44 CA THR A 4 -10.422 1.958 -7.643 1.00 0.00 C ATOM 45 C THR A 4 -9.682 1.265 -6.497 1.00 0.00 C ATOM 46 O THR A 4 -8.617 0.684 -6.702 1.00 0.00 O ATOM 47 CB THR A 4 -11.883 1.521 -7.775 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.437 1.770 -6.486 1.00 0.00 O ATOM 49 CG2 THR A 4 -12.028 0.009 -7.958 1.00 0.00 C ATOM 0 HA THR A 4 -10.406 3.021 -7.403 1.00 0.00 H new ATOM 0 HB THR A 4 -12.340 2.034 -8.621 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.384 1.516 -6.482 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.084 -0.247 -8.046 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.503 -0.300 -8.862 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.601 -0.504 -7.096 1.00 0.00 H new ATOM 57 N GLN A 5 -10.276 1.349 -5.316 1.00 0.00 N ATOM 58 CA GLN A 5 -9.687 0.737 -4.137 1.00 0.00 C ATOM 59 C GLN A 5 -9.493 -0.765 -4.359 1.00 0.00 C ATOM 60 O GLN A 5 -8.364 -1.250 -4.392 1.00 0.00 O ATOM 61 CB GLN A 5 -10.540 1.003 -2.896 1.00 0.00 C ATOM 62 CG GLN A 5 -9.938 0.330 -1.661 1.00 0.00 C ATOM 63 CD GLN A 5 -8.917 1.245 -0.981 1.00 0.00 C ATOM 64 OE1 GLN A 5 -7.760 1.340 -1.629 1.00 0.00 O flip ATOM 65 NE2 GLN A 5 -9.165 1.827 0.063 1.00 0.00 N flip ATOM 0 H GLN A 5 -11.159 1.832 -5.150 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.709 1.188 -3.968 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.618 2.077 -2.727 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.552 0.632 -3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.731 0.078 -0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.458 -0.605 -1.950 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.075 1.710 0.509 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.462 2.431 0.490 1.00 0.00 H new ATOM 72 N GLU A 6 -10.613 -1.457 -4.503 1.00 0.00 N ATOM 73 CA GLU A 6 -10.582 -2.894 -4.721 1.00 0.00 C ATOM 74 C GLU A 6 -9.640 -3.234 -5.878 1.00 0.00 C ATOM 75 O GLU A 6 -9.199 -4.375 -6.009 1.00 0.00 O ATOM 76 CB GLU A 6 -11.987 -3.441 -4.979 1.00 0.00 C ATOM 77 CG GLU A 6 -12.520 -4.182 -3.751 1.00 0.00 C ATOM 78 CD GLU A 6 -13.970 -3.789 -3.459 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.221 -2.696 -2.928 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.852 -4.663 -3.807 1.00 0.00 O ATOM 0 H GLU A 6 -11.548 -1.050 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.204 -3.371 -3.817 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.659 -2.622 -5.234 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.967 -4.115 -5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.457 -5.258 -3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.897 -3.955 -2.886 1.00 0.00 H new ATOM 86 N GLU A 7 -9.360 -2.225 -6.689 1.00 0.00 N ATOM 87 CA GLU A 7 -8.479 -2.404 -7.830 1.00 0.00 C ATOM 88 C GLU A 7 -7.023 -2.487 -7.369 1.00 0.00 C ATOM 89 O GLU A 7 -6.273 -3.349 -7.824 1.00 0.00 O ATOM 90 CB GLU A 7 -8.667 -1.278 -8.849 1.00 0.00 C ATOM 91 CG GLU A 7 -9.313 -1.803 -10.133 1.00 0.00 C ATOM 92 CD GLU A 7 -10.813 -2.038 -9.935 1.00 0.00 C ATOM 93 OE1 GLU A 7 -11.226 -2.558 -8.889 1.00 0.00 O ATOM 94 OE2 GLU A 7 -11.558 -1.658 -10.918 1.00 0.00 O ATOM 0 H GLU A 7 -9.728 -1.280 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.738 -3.342 -8.321 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.290 -0.494 -8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.702 -0.828 -9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.157 -1.089 -10.942 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.832 -2.734 -10.432 1.00 0.00 H new ATOM 100 N ILE A 8 -6.667 -1.580 -6.471 1.00 0.00 N ATOM 101 CA ILE A 8 -5.314 -1.542 -5.943 1.00 0.00 C ATOM 102 C ILE A 8 -5.241 -2.391 -4.673 1.00 0.00 C ATOM 103 O ILE A 8 -4.170 -2.555 -4.091 1.00 0.00 O ATOM 104 CB ILE A 8 -4.858 -0.094 -5.741 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.387 0.807 -6.859 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.337 -0.011 -5.608 1.00 0.00 C ATOM 107 CD1 ILE A 8 -5.213 2.284 -6.500 1.00 0.00 C ATOM 0 H ILE A 8 -7.292 -0.866 -6.096 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.615 -1.977 -6.658 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.282 0.271 -4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.858 0.590 -7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.441 0.593 -7.035 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.040 1.028 -5.466 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.014 -0.601 -4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.871 -0.401 -6.513 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.597 2.903 -7.311 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.763 2.503 -5.585 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.155 2.499 -6.348 1.00 0.00 H new ATOM 118 N ILE A 9 -6.395 -2.909 -4.279 1.00 0.00 N ATOM 119 CA ILE A 9 -6.477 -3.738 -3.090 1.00 0.00 C ATOM 120 C ILE A 9 -6.637 -5.203 -3.502 1.00 0.00 C ATOM 121 O ILE A 9 -6.013 -6.089 -2.920 1.00 0.00 O ATOM 122 CB ILE A 9 -7.585 -3.237 -2.161 1.00 0.00 C ATOM 123 CG1 ILE A 9 -7.266 -1.835 -1.636 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.841 -4.230 -1.026 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.926 -1.597 -0.275 1.00 0.00 C ATOM 0 H ILE A 9 -7.282 -2.770 -4.763 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.554 -3.668 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.507 -3.164 -2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.187 -1.713 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.614 -1.088 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.633 -3.849 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.144 -5.190 -1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.929 -4.359 -0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.684 -0.594 0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.007 -1.696 -0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.557 -2.331 0.441 1.00 0.00 H new ATOM 136 N ALA A 10 -7.477 -5.412 -4.506 1.00 0.00 N ATOM 137 CA ALA A 10 -7.728 -6.754 -5.004 1.00 0.00 C ATOM 138 C ALA A 10 -6.783 -7.044 -6.172 1.00 0.00 C ATOM 139 O ALA A 10 -6.311 -8.170 -6.329 1.00 0.00 O ATOM 140 CB ALA A 10 -9.199 -6.886 -5.399 1.00 0.00 C ATOM 0 H ALA A 10 -7.992 -4.675 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.532 -7.494 -4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.387 -7.893 -5.772 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.828 -6.699 -4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.433 -6.161 -6.178 1.00 0.00 H new ATOM 146 N GLY A 11 -6.535 -6.011 -6.962 1.00 0.00 N ATOM 147 CA GLY A 11 -5.656 -6.140 -8.112 1.00 0.00 C ATOM 148 C GLY A 11 -4.208 -6.367 -7.671 1.00 0.00 C ATOM 149 O GLY A 11 -3.500 -7.190 -8.251 1.00 0.00 O ATOM 0 H GLY A 11 -6.928 -5.079 -6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.985 -6.972 -8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.717 -5.240 -8.724 1.00 0.00 H new ATOM 153 N ILE A 12 -3.811 -5.623 -6.650 1.00 0.00 N ATOM 154 CA ILE A 12 -2.460 -5.732 -6.124 1.00 0.00 C ATOM 155 C ILE A 12 -2.355 -6.988 -5.257 1.00 0.00 C ATOM 156 O ILE A 12 -1.477 -7.822 -5.470 1.00 0.00 O ATOM 157 CB ILE A 12 -2.063 -4.447 -5.396 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.931 -3.279 -6.376 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.788 -4.653 -4.577 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.725 -2.404 -6.029 1.00 0.00 C ATOM 0 H ILE A 12 -4.401 -4.942 -6.172 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.743 -5.844 -6.937 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.859 -4.192 -4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.827 -3.662 -7.391 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.839 -2.677 -6.354 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.528 -3.724 -4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.953 -5.437 -3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.027 -4.945 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.655 -1.582 -6.741 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.844 -2.003 -5.022 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.185 -3.003 -6.076 1.00 0.00 H new ATOM 171 N ALA A 13 -3.264 -7.083 -4.297 1.00 0.00 N ATOM 172 CA ALA A 13 -3.285 -8.223 -3.396 1.00 0.00 C ATOM 173 C ALA A 13 -3.021 -9.502 -4.193 1.00 0.00 C ATOM 174 O ALA A 13 -2.167 -10.305 -3.820 1.00 0.00 O ATOM 175 CB ALA A 13 -4.621 -8.263 -2.654 1.00 0.00 C ATOM 0 H ALA A 13 -3.991 -6.389 -4.124 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.499 -8.134 -2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.636 -9.118 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.746 -7.345 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.434 -8.355 -3.374 1.00 0.00 H new ATOM 181 N GLU A 14 -3.769 -9.651 -5.277 1.00 0.00 N ATOM 182 CA GLU A 14 -3.627 -10.819 -6.129 1.00 0.00 C ATOM 183 C GLU A 14 -2.186 -10.939 -6.630 1.00 0.00 C ATOM 184 O GLU A 14 -1.619 -12.030 -6.644 1.00 0.00 O ATOM 185 CB GLU A 14 -4.612 -10.766 -7.299 1.00 0.00 C ATOM 186 CG GLU A 14 -6.012 -11.194 -6.858 1.00 0.00 C ATOM 187 CD GLU A 14 -6.543 -12.326 -7.739 1.00 0.00 C ATOM 188 OE1 GLU A 14 -6.301 -13.507 -7.447 1.00 0.00 O ATOM 189 OE2 GLU A 14 -7.230 -11.944 -8.762 1.00 0.00 O ATOM 0 H GLU A 14 -4.475 -8.982 -5.584 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.861 -11.706 -5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.648 -9.754 -7.703 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.265 -11.417 -8.101 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.986 -11.520 -5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.689 -10.341 -6.908 1.00 0.00 H new ATOM 195 N ILE A 15 -1.636 -9.801 -7.028 1.00 0.00 N ATOM 196 CA ILE A 15 -0.271 -9.765 -7.528 1.00 0.00 C ATOM 197 C ILE A 15 0.694 -10.108 -6.391 1.00 0.00 C ATOM 198 O ILE A 15 1.587 -10.936 -6.560 1.00 0.00 O ATOM 199 CB ILE A 15 0.019 -8.419 -8.195 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.870 -8.212 -9.422 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.505 -8.285 -8.534 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.718 -6.794 -9.977 1.00 0.00 C ATOM 0 H ILE A 15 -2.110 -8.898 -7.015 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.130 -10.517 -8.304 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.223 -7.627 -7.486 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.608 -8.938 -10.192 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.911 -8.392 -9.155 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.685 -7.320 -9.007 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.095 -8.357 -7.620 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.796 -9.083 -9.217 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.361 -6.674 -10.849 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.004 -6.072 -9.213 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.320 -6.625 -10.265 1.00 0.00 H new ATOM 213 N ILE A 16 0.478 -9.457 -5.257 1.00 0.00 N ATOM 214 CA ILE A 16 1.318 -9.683 -4.093 1.00 0.00 C ATOM 215 C ILE A 16 1.361 -11.181 -3.786 1.00 0.00 C ATOM 216 O ILE A 16 2.382 -11.695 -3.330 1.00 0.00 O ATOM 217 CB ILE A 16 0.844 -8.827 -2.917 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.826 -7.344 -3.291 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.688 -9.094 -1.669 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.537 -6.473 -2.065 1.00 0.00 C ATOM 0 H ILE A 16 -0.266 -8.773 -5.120 1.00 0.00 H new ATOM 0 HA ILE A 16 2.342 -9.368 -4.294 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.181 -9.111 -2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.786 -7.063 -3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.068 -7.167 -4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.330 -8.473 -0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.605 -10.145 -1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.731 -8.855 -1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.530 -5.423 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.435 -6.740 -1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.310 -6.635 -1.314 1.00 0.00 H new ATOM 231 N GLU A 17 0.242 -11.840 -4.046 1.00 0.00 N ATOM 232 CA GLU A 17 0.140 -13.268 -3.803 1.00 0.00 C ATOM 233 C GLU A 17 0.870 -14.047 -4.899 1.00 0.00 C ATOM 234 O GLU A 17 0.844 -15.277 -4.914 1.00 0.00 O ATOM 235 CB GLU A 17 -1.323 -13.705 -3.701 1.00 0.00 C ATOM 236 CG GLU A 17 -1.432 -15.148 -3.207 1.00 0.00 C ATOM 237 CD GLU A 17 -2.005 -16.058 -4.295 1.00 0.00 C ATOM 238 OE1 GLU A 17 -1.281 -16.444 -5.226 1.00 0.00 O ATOM 239 OE2 GLU A 17 -3.250 -16.366 -4.151 1.00 0.00 O ATOM 0 H GLU A 17 -0.603 -11.411 -4.423 1.00 0.00 H new ATOM 0 HA GLU A 17 0.618 -13.488 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.857 -13.043 -3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.802 -13.614 -4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.448 -15.509 -2.907 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.069 -15.186 -2.323 1.00 0.00 H new ATOM 245 N GLU A 18 1.503 -13.299 -5.790 1.00 0.00 N ATOM 246 CA GLU A 18 2.239 -13.904 -6.888 1.00 0.00 C ATOM 247 C GLU A 18 3.742 -13.694 -6.699 1.00 0.00 C ATOM 248 O GLU A 18 4.525 -14.632 -6.835 1.00 0.00 O ATOM 249 CB GLU A 18 1.771 -13.347 -8.234 1.00 0.00 C ATOM 250 CG GLU A 18 0.256 -13.488 -8.390 1.00 0.00 C ATOM 251 CD GLU A 18 -0.092 -14.434 -9.541 1.00 0.00 C ATOM 252 OE1 GLU A 18 0.395 -14.246 -10.666 1.00 0.00 O ATOM 253 OE2 GLU A 18 -0.897 -15.394 -9.234 1.00 0.00 O ATOM 0 H GLU A 18 1.522 -12.279 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 18 2.040 -14.976 -6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.052 -12.297 -8.314 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.274 -13.875 -9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.175 -13.865 -7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.187 -12.509 -8.573 1.00 0.00 H new ATOM 259 N VAL A 19 4.100 -12.456 -6.389 1.00 0.00 N ATOM 260 CA VAL A 19 5.495 -12.111 -6.180 1.00 0.00 C ATOM 261 C VAL A 19 5.942 -12.619 -4.808 1.00 0.00 C ATOM 262 O VAL A 19 6.810 -13.487 -4.715 1.00 0.00 O ATOM 263 CB VAL A 19 5.692 -10.604 -6.352 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.170 -10.264 -6.563 1.00 0.00 C ATOM 265 CG2 VAL A 19 4.837 -10.066 -7.501 1.00 0.00 C ATOM 0 H VAL A 19 3.447 -11.680 -6.278 1.00 0.00 H new ATOM 0 HA VAL A 19 6.124 -12.596 -6.927 1.00 0.00 H new ATOM 0 HB VAL A 19 5.364 -10.117 -5.434 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.282 -9.186 -6.683 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.746 -10.595 -5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.535 -10.768 -7.458 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.996 -8.992 -7.601 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.120 -10.563 -8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.785 -10.259 -7.293 1.00 0.00 H new ATOM 275 N THR A 20 5.329 -12.059 -3.776 1.00 0.00 N ATOM 276 CA THR A 20 5.654 -12.444 -2.413 1.00 0.00 C ATOM 277 C THR A 20 4.963 -13.762 -2.053 1.00 0.00 C ATOM 278 O THR A 20 5.482 -14.541 -1.256 1.00 0.00 O ATOM 279 CB THR A 20 5.270 -11.286 -1.490 1.00 0.00 C ATOM 280 OG1 THR A 20 3.850 -11.225 -1.580 1.00 0.00 O ATOM 281 CG2 THR A 20 5.736 -9.930 -2.026 1.00 0.00 C ATOM 0 H THR A 20 4.609 -11.341 -3.856 1.00 0.00 H new ATOM 0 HA THR A 20 6.722 -12.630 -2.298 1.00 0.00 H new ATOM 0 HB THR A 20 5.699 -11.453 -0.502 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.567 -11.495 -2.479 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.438 -9.143 -1.333 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.821 -9.932 -2.127 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.281 -9.748 -3.000 1.00 0.00 H new ATOM 289 N GLY A 21 3.804 -13.970 -2.659 1.00 0.00 N ATOM 290 CA GLY A 21 3.037 -15.179 -2.412 1.00 0.00 C ATOM 291 C GLY A 21 2.185 -15.041 -1.150 1.00 0.00 C ATOM 292 O GLY A 21 1.816 -16.039 -0.533 1.00 0.00 O ATOM 0 H GLY A 21 3.377 -13.322 -3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.394 -15.387 -3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.713 -16.028 -2.307 1.00 0.00 H new ATOM 296 N ILE A 22 1.898 -13.795 -0.801 1.00 0.00 N ATOM 297 CA ILE A 22 1.097 -13.513 0.378 1.00 0.00 C ATOM 298 C ILE A 22 -0.385 -13.645 0.025 1.00 0.00 C ATOM 299 O ILE A 22 -0.746 -13.683 -1.150 1.00 0.00 O ATOM 300 CB ILE A 22 1.471 -12.151 0.966 1.00 0.00 C ATOM 301 CG1 ILE A 22 2.907 -12.156 1.494 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.467 -11.724 2.040 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.491 -10.743 1.511 1.00 0.00 C ATOM 0 H ILE A 22 2.206 -12.969 -1.314 1.00 0.00 H new ATOM 0 HA ILE A 22 1.304 -14.240 1.163 1.00 0.00 H new ATOM 0 HB ILE A 22 1.425 -11.410 0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.926 -12.573 2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.525 -12.801 0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.755 -10.753 2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.528 -11.654 1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.458 -12.461 2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.512 -10.776 1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.493 -10.338 0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.885 -10.106 2.155 1.00 0.00 H new ATOM 314 N GLU A 23 -1.205 -13.709 1.063 1.00 0.00 N ATOM 315 CA GLU A 23 -2.641 -13.837 0.878 1.00 0.00 C ATOM 316 C GLU A 23 -3.205 -12.572 0.227 1.00 0.00 C ATOM 317 O GLU A 23 -2.649 -11.487 0.385 1.00 0.00 O ATOM 318 CB GLU A 23 -3.342 -14.128 2.206 1.00 0.00 C ATOM 319 CG GLU A 23 -3.776 -15.593 2.286 1.00 0.00 C ATOM 320 CD GLU A 23 -3.329 -16.227 3.605 1.00 0.00 C ATOM 321 OE1 GLU A 23 -3.784 -15.807 4.679 1.00 0.00 O ATOM 322 OE2 GLU A 23 -2.478 -17.188 3.487 1.00 0.00 O ATOM 0 H GLU A 23 -0.902 -13.675 2.036 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.829 -14.681 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.671 -13.898 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.213 -13.481 2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.860 -15.660 2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.351 -16.148 1.449 1.00 0.00 H new ATOM 328 N PRO A 24 -4.332 -12.760 -0.512 1.00 0.00 N ATOM 329 CA PRO A 24 -4.977 -11.647 -1.188 1.00 0.00 C ATOM 330 C PRO A 24 -5.734 -10.766 -0.193 1.00 0.00 C ATOM 331 O PRO A 24 -5.511 -9.558 -0.133 1.00 0.00 O ATOM 332 CB PRO A 24 -5.886 -12.290 -2.224 1.00 0.00 C ATOM 333 CG PRO A 24 -6.067 -13.732 -1.781 1.00 0.00 C ATOM 334 CD PRO A 24 -5.018 -14.031 -0.722 1.00 0.00 C ATOM 0 HA PRO A 24 -4.265 -10.974 -1.665 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.845 -11.774 -2.276 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.442 -12.240 -3.218 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.069 -13.885 -1.379 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.957 -14.408 -2.629 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.476 -14.391 0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.326 -14.804 -1.057 1.00 0.00 H new ATOM 339 N SER A 25 -6.614 -11.404 0.563 1.00 0.00 N ATOM 340 CA SER A 25 -7.407 -10.694 1.553 1.00 0.00 C ATOM 341 C SER A 25 -6.491 -10.096 2.624 1.00 0.00 C ATOM 342 O SER A 25 -6.860 -9.129 3.290 1.00 0.00 O ATOM 343 CB SER A 25 -8.443 -11.618 2.196 1.00 0.00 C ATOM 344 OG SER A 25 -9.750 -11.051 2.173 1.00 0.00 O ATOM 0 H SER A 25 -6.796 -12.406 0.510 1.00 0.00 H new ATOM 0 HA SER A 25 -7.942 -9.889 1.050 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.453 -12.573 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.155 -11.824 3.227 1.00 0.00 H new ATOM 0 HG SER A 25 -10.383 -11.671 2.591 1.00 0.00 H new ATOM 349 N GLU A 26 -5.318 -10.695 2.756 1.00 0.00 N ATOM 350 CA GLU A 26 -4.347 -10.233 3.733 1.00 0.00 C ATOM 351 C GLU A 26 -3.932 -8.792 3.430 1.00 0.00 C ATOM 352 O GLU A 26 -3.844 -7.964 4.335 1.00 0.00 O ATOM 353 CB GLU A 26 -3.129 -11.158 3.777 1.00 0.00 C ATOM 354 CG GLU A 26 -2.389 -11.029 5.110 1.00 0.00 C ATOM 355 CD GLU A 26 -1.397 -12.178 5.299 1.00 0.00 C ATOM 356 OE1 GLU A 26 -1.803 -13.349 5.327 1.00 0.00 O ATOM 357 OE2 GLU A 26 -0.164 -11.819 5.419 1.00 0.00 O ATOM 0 H GLU A 26 -5.017 -11.497 2.202 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.814 -10.256 4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.447 -12.191 3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.453 -10.914 2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.859 -10.077 5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.107 -11.025 5.930 1.00 0.00 H new ATOM 363 N ILE A 27 -3.685 -8.538 2.153 1.00 0.00 N ATOM 364 CA ILE A 27 -3.280 -7.212 1.719 1.00 0.00 C ATOM 365 C ILE A 27 -4.372 -6.204 2.088 1.00 0.00 C ATOM 366 O ILE A 27 -5.558 -6.520 2.030 1.00 0.00 O ATOM 367 CB ILE A 27 -2.928 -7.219 0.230 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.494 -7.703 0.008 1.00 0.00 C ATOM 369 CG2 ILE A 27 -3.175 -5.847 -0.399 1.00 0.00 C ATOM 370 CD1 ILE A 27 -1.119 -8.788 1.018 1.00 0.00 C ATOM 0 H ILE A 27 -3.758 -9.228 1.405 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.371 -6.903 2.236 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.587 -7.926 -0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.391 -8.093 -1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.805 -6.863 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.917 -5.880 -1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.226 -5.581 -0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.558 -5.101 0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.095 -9.114 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.200 -8.388 2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.795 -9.636 0.908 1.00 0.00 H new ATOM 381 N THR A 28 -3.929 -5.012 2.459 1.00 0.00 N ATOM 382 CA THR A 28 -4.853 -3.956 2.837 1.00 0.00 C ATOM 383 C THR A 28 -4.111 -2.626 2.985 1.00 0.00 C ATOM 384 O THR A 28 -2.882 -2.595 2.992 1.00 0.00 O ATOM 385 CB THR A 28 -5.575 -4.394 4.114 1.00 0.00 C ATOM 386 OG1 THR A 28 -4.699 -5.357 4.695 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.853 -5.181 3.821 1.00 0.00 C ATOM 0 H THR A 28 -2.943 -4.754 2.506 1.00 0.00 H new ATOM 0 HA THR A 28 -5.602 -3.790 2.063 1.00 0.00 H new ATOM 0 HB THR A 28 -5.818 -3.517 4.714 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.089 -5.693 5.529 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.327 -5.468 4.760 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.538 -4.560 3.244 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.606 -6.076 3.251 1.00 0.00 H new ATOM 395 N PRO A 29 -4.911 -1.532 3.102 1.00 0.00 N ATOM 396 CA PRO A 29 -4.343 -0.203 3.250 1.00 0.00 C ATOM 397 C PRO A 29 -3.793 0.006 4.662 1.00 0.00 C ATOM 398 O PRO A 29 -4.085 1.013 5.304 1.00 0.00 O ATOM 399 CB PRO A 29 -5.477 0.749 2.907 1.00 0.00 C ATOM 400 CG PRO A 29 -6.756 -0.063 3.034 1.00 0.00 C ATOM 401 CD PRO A 29 -6.370 -1.531 3.097 1.00 0.00 C ATOM 0 HA PRO A 29 -3.488 -0.036 2.595 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.488 1.603 3.584 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.364 1.144 1.897 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.305 0.226 3.930 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.413 0.123 2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -6.769 -2.007 3.993 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -6.763 -2.081 2.242 1.00 0.00 H new ATOM 406 N GLU A 30 -3.006 -0.964 5.104 1.00 0.00 N ATOM 407 CA GLU A 30 -2.412 -0.900 6.429 1.00 0.00 C ATOM 408 C GLU A 30 -0.918 -1.223 6.358 1.00 0.00 C ATOM 409 O GLU A 30 -0.135 -0.737 7.172 1.00 0.00 O ATOM 410 CB GLU A 30 -3.132 -1.840 7.398 1.00 0.00 C ATOM 411 CG GLU A 30 -4.514 -1.295 7.766 1.00 0.00 C ATOM 412 CD GLU A 30 -4.613 -1.024 9.269 1.00 0.00 C ATOM 413 OE1 GLU A 30 -4.494 -1.956 10.077 1.00 0.00 O ATOM 414 OE2 GLU A 30 -4.822 0.209 9.587 1.00 0.00 O ATOM 0 H GLU A 30 -2.766 -1.798 4.569 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.525 0.116 6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.235 -2.826 6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.534 -1.965 8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.705 -0.375 7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.282 -2.010 7.470 1.00 0.00 H new ATOM 420 N LYS A 31 -0.569 -2.044 5.378 1.00 0.00 N ATOM 421 CA LYS A 31 0.816 -2.437 5.189 1.00 0.00 C ATOM 422 C LYS A 31 1.702 -1.190 5.191 1.00 0.00 C ATOM 423 O LYS A 31 1.202 -0.069 5.114 1.00 0.00 O ATOM 424 CB LYS A 31 0.963 -3.295 3.930 1.00 0.00 C ATOM 425 CG LYS A 31 0.141 -4.580 4.042 1.00 0.00 C ATOM 426 CD LYS A 31 1.050 -5.809 4.105 1.00 0.00 C ATOM 427 CE LYS A 31 0.508 -6.936 3.224 1.00 0.00 C ATOM 428 NZ LYS A 31 1.457 -8.072 3.194 1.00 0.00 N ATOM 0 H LYS A 31 -1.222 -2.448 4.707 1.00 0.00 H new ATOM 0 HA LYS A 31 1.149 -3.065 6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.638 -2.726 3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.013 -3.543 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.484 -4.539 4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.529 -4.663 3.187 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.055 -5.540 3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.130 -6.154 5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.457 -7.271 3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.341 -6.567 2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.620 -8.363 2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.359 -7.782 3.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.060 -8.870 3.729 1.00 0.00 H new ATOM 437 N SER A 32 3.003 -1.427 5.280 1.00 0.00 N ATOM 438 CA SER A 32 3.962 -0.337 5.292 1.00 0.00 C ATOM 439 C SER A 32 5.057 -0.591 4.254 1.00 0.00 C ATOM 440 O SER A 32 6.161 -0.061 4.368 1.00 0.00 O ATOM 441 CB SER A 32 4.580 -0.162 6.682 1.00 0.00 C ATOM 442 OG SER A 32 4.683 1.211 7.051 1.00 0.00 O ATOM 0 H SER A 32 3.414 -2.358 5.344 1.00 0.00 H new ATOM 0 HA SER A 32 3.436 0.583 5.038 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.974 -0.691 7.418 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.570 -0.617 6.699 1.00 0.00 H new ATOM 0 HG SER A 32 4.609 1.294 8.025 1.00 0.00 H new ATOM 447 N PHE A 33 4.712 -1.402 3.265 1.00 0.00 N ATOM 448 CA PHE A 33 5.652 -1.733 2.207 1.00 0.00 C ATOM 449 C PHE A 33 6.646 -2.799 2.670 1.00 0.00 C ATOM 450 O PHE A 33 7.001 -3.696 1.907 1.00 0.00 O ATOM 451 CB PHE A 33 6.417 -0.451 1.871 1.00 0.00 C ATOM 452 CG PHE A 33 6.613 -0.218 0.372 1.00 0.00 C ATOM 453 CD1 PHE A 33 5.535 -0.171 -0.456 1.00 0.00 C ATOM 454 CD2 PHE A 33 7.866 -0.057 -0.134 1.00 0.00 C ATOM 455 CE1 PHE A 33 5.717 0.045 -1.848 1.00 0.00 C ATOM 456 CE2 PHE A 33 8.048 0.159 -1.524 1.00 0.00 C ATOM 457 CZ PHE A 33 6.969 0.206 -2.353 1.00 0.00 C ATOM 0 H PHE A 33 3.795 -1.840 3.174 1.00 0.00 H new ATOM 0 HA PHE A 33 5.116 -2.126 1.343 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.883 0.400 2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.394 -0.486 2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.540 -0.298 -0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.722 -0.094 0.523 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.861 0.081 -2.505 1.00 0.00 H new ATOM 0 HE2 PHE A 33 9.043 0.286 -1.925 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.108 0.371 -3.411 1.00 0.00 H new ATOM 466 N VAL A 34 7.068 -2.667 3.919 1.00 0.00 N ATOM 467 CA VAL A 34 8.014 -3.608 4.493 1.00 0.00 C ATOM 468 C VAL A 34 7.618 -3.904 5.942 1.00 0.00 C ATOM 469 O VAL A 34 7.450 -5.063 6.318 1.00 0.00 O ATOM 470 CB VAL A 34 9.438 -3.065 4.362 1.00 0.00 C ATOM 471 CG1 VAL A 34 10.190 -3.171 5.691 1.00 0.00 C ATOM 472 CG2 VAL A 34 10.198 -3.780 3.244 1.00 0.00 C ATOM 0 H VAL A 34 6.772 -1.922 4.550 1.00 0.00 H new ATOM 0 HA VAL A 34 7.989 -4.553 3.950 1.00 0.00 H new ATOM 0 HB VAL A 34 9.370 -2.010 4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.200 -2.778 5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.665 -2.595 6.453 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.241 -4.216 5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.207 -3.374 3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.250 -4.846 3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.679 -3.630 2.297 1.00 0.00 H new ATOM 482 N ASP A 35 7.481 -2.837 6.714 1.00 0.00 N ATOM 483 CA ASP A 35 7.107 -2.967 8.112 1.00 0.00 C ATOM 484 C ASP A 35 6.082 -4.093 8.259 1.00 0.00 C ATOM 485 O ASP A 35 6.039 -4.768 9.285 1.00 0.00 O ATOM 486 CB ASP A 35 6.472 -1.677 8.634 1.00 0.00 C ATOM 487 CG ASP A 35 6.595 -1.462 10.145 1.00 0.00 C ATOM 488 OD1 ASP A 35 7.703 -1.299 10.679 1.00 0.00 O ATOM 489 OD2 ASP A 35 5.477 -1.466 10.788 1.00 0.00 O ATOM 0 H ASP A 35 7.622 -1.878 6.398 1.00 0.00 H new ATOM 0 HA ASP A 35 8.010 -3.182 8.684 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.931 -0.831 8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.415 -1.676 8.367 1.00 0.00 H new ATOM 494 N ASP A 36 5.280 -4.259 7.217 1.00 0.00 N ATOM 495 CA ASP A 36 4.258 -5.291 7.216 1.00 0.00 C ATOM 496 C ASP A 36 4.685 -6.426 6.283 1.00 0.00 C ATOM 497 O ASP A 36 4.939 -7.542 6.733 1.00 0.00 O ATOM 498 CB ASP A 36 2.921 -4.742 6.713 1.00 0.00 C ATOM 499 CG ASP A 36 1.712 -5.083 7.586 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.993 -6.061 7.328 1.00 0.00 O ATOM 501 OD2 ASP A 36 1.516 -4.287 8.582 1.00 0.00 O ATOM 0 H ASP A 36 5.318 -3.696 6.368 1.00 0.00 H new ATOM 0 HA ASP A 36 4.139 -5.648 8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.998 -3.658 6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.744 -5.124 5.708 1.00 0.00 H new ATOM 506 N LEU A 37 4.750 -6.101 5.000 1.00 0.00 N ATOM 507 CA LEU A 37 5.141 -7.079 4.000 1.00 0.00 C ATOM 508 C LEU A 37 6.314 -7.905 4.531 1.00 0.00 C ATOM 509 O LEU A 37 6.236 -9.130 4.597 1.00 0.00 O ATOM 510 CB LEU A 37 5.429 -6.393 2.663 1.00 0.00 C ATOM 511 CG LEU A 37 4.212 -5.841 1.916 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.643 -4.946 0.752 1.00 0.00 C ATOM 513 CD2 LEU A 37 3.291 -6.973 1.459 1.00 0.00 C ATOM 0 H LEU A 37 4.538 -5.174 4.630 1.00 0.00 H new ATOM 0 HA LEU A 37 4.323 -7.773 3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.124 -5.573 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.937 -7.106 2.013 1.00 0.00 H new ATOM 0 HG LEU A 37 3.640 -5.219 2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.760 -4.567 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.228 -4.109 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.249 -5.524 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.434 -6.554 0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.838 -7.640 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.944 -7.533 2.328 1.00 0.00 H new ATOM 524 N ASP A 38 7.374 -7.200 4.898 1.00 0.00 N ATOM 525 CA ASP A 38 8.562 -7.853 5.422 1.00 0.00 C ATOM 526 C ASP A 38 9.245 -8.638 4.301 1.00 0.00 C ATOM 527 O ASP A 38 10.112 -9.471 4.560 1.00 0.00 O ATOM 528 CB ASP A 38 8.203 -8.837 6.537 1.00 0.00 C ATOM 529 CG ASP A 38 9.198 -8.892 7.697 1.00 0.00 C ATOM 530 OD1 ASP A 38 10.122 -9.719 7.709 1.00 0.00 O ATOM 531 OD2 ASP A 38 8.993 -8.026 8.632 1.00 0.00 O ATOM 0 H ASP A 38 7.435 -6.183 4.843 1.00 0.00 H new ATOM 0 HA ASP A 38 9.222 -7.082 5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.222 -8.573 6.932 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.115 -9.834 6.106 1.00 0.00 H new ATOM 536 N ILE A 39 8.829 -8.343 3.078 1.00 0.00 N ATOM 537 CA ILE A 39 9.389 -9.011 1.915 1.00 0.00 C ATOM 538 C ILE A 39 10.513 -8.151 1.331 1.00 0.00 C ATOM 539 O ILE A 39 11.325 -8.636 0.545 1.00 0.00 O ATOM 540 CB ILE A 39 8.287 -9.349 0.909 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.598 -10.654 0.173 1.00 0.00 C ATOM 542 CG2 ILE A 39 8.053 -8.187 -0.059 1.00 0.00 C ATOM 543 CD1 ILE A 39 9.974 -10.594 -0.494 1.00 0.00 C ATOM 0 H ILE A 39 8.111 -7.650 2.867 1.00 0.00 H new ATOM 0 HA ILE A 39 9.832 -9.965 2.200 1.00 0.00 H new ATOM 0 HB ILE A 39 7.358 -9.503 1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.566 -11.488 0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.833 -10.842 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.265 -8.453 -0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.755 -7.301 0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.973 -7.978 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.170 -11.534 -1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.995 -9.775 -1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.739 -10.430 0.265 1.00 0.00 H new ATOM 554 N ASP A 40 10.523 -6.891 1.740 1.00 0.00 N ATOM 555 CA ASP A 40 11.533 -5.960 1.267 1.00 0.00 C ATOM 556 C ASP A 40 11.033 -5.273 -0.005 1.00 0.00 C ATOM 557 O ASP A 40 9.881 -5.449 -0.397 1.00 0.00 O ATOM 558 CB ASP A 40 12.837 -6.686 0.931 1.00 0.00 C ATOM 559 CG ASP A 40 14.105 -5.842 1.078 1.00 0.00 C ATOM 560 OD1 ASP A 40 15.184 -6.360 1.399 1.00 0.00 O ATOM 561 OD2 ASP A 40 13.950 -4.583 0.844 1.00 0.00 O ATOM 0 H ASP A 40 9.848 -6.493 2.393 1.00 0.00 H new ATOM 0 HA ASP A 40 11.718 -5.233 2.058 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.924 -7.561 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.778 -7.050 -0.095 1.00 0.00 H new ATOM 566 N SER A 41 11.925 -4.507 -0.615 1.00 0.00 N ATOM 567 CA SER A 41 11.589 -3.793 -1.836 1.00 0.00 C ATOM 568 C SER A 41 11.914 -4.658 -3.054 1.00 0.00 C ATOM 569 O SER A 41 11.764 -4.215 -4.192 1.00 0.00 O ATOM 570 CB SER A 41 12.333 -2.459 -1.917 1.00 0.00 C ATOM 571 OG SER A 41 13.714 -2.637 -2.218 1.00 0.00 O ATOM 0 H SER A 41 12.880 -4.365 -0.287 1.00 0.00 H new ATOM 0 HA SER A 41 10.520 -3.581 -1.825 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.873 -1.833 -2.681 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.234 -1.930 -0.969 1.00 0.00 H new ATOM 0 HG SER A 41 14.154 -1.763 -2.263 1.00 0.00 H new ATOM 576 N LEU A 42 12.354 -5.876 -2.776 1.00 0.00 N ATOM 577 CA LEU A 42 12.702 -6.807 -3.836 1.00 0.00 C ATOM 578 C LEU A 42 11.429 -7.246 -4.561 1.00 0.00 C ATOM 579 O LEU A 42 11.211 -6.883 -5.715 1.00 0.00 O ATOM 580 CB LEU A 42 13.525 -7.970 -3.278 1.00 0.00 C ATOM 581 CG LEU A 42 14.941 -8.120 -3.838 1.00 0.00 C ATOM 582 CD1 LEU A 42 14.908 -8.564 -5.302 1.00 0.00 C ATOM 583 CD2 LEU A 42 15.745 -6.832 -3.647 1.00 0.00 C ATOM 0 H LEU A 42 12.478 -6.240 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 42 13.339 -6.322 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.594 -7.854 -2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.982 -8.896 -3.465 1.00 0.00 H new ATOM 0 HG LEU A 42 15.450 -8.903 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 42 15.927 -8.663 -5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.398 -9.524 -5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 42 14.375 -7.821 -5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.748 -6.965 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 42 15.249 -6.013 -4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.812 -6.599 -2.584 1.00 0.00 H new ATOM 594 N SER A 43 10.621 -8.023 -3.854 1.00 0.00 N ATOM 595 CA SER A 43 9.376 -8.517 -4.416 1.00 0.00 C ATOM 596 C SER A 43 8.453 -7.343 -4.753 1.00 0.00 C ATOM 597 O SER A 43 7.982 -7.225 -5.884 1.00 0.00 O ATOM 598 CB SER A 43 8.679 -9.479 -3.452 1.00 0.00 C ATOM 599 OG SER A 43 7.466 -9.994 -3.995 1.00 0.00 O ATOM 0 H SER A 43 10.805 -8.322 -2.896 1.00 0.00 H new ATOM 0 HA SER A 43 9.607 -9.065 -5.329 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.350 -10.305 -3.216 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.467 -8.963 -2.516 1.00 0.00 H new ATOM 0 HG SER A 43 6.858 -9.253 -4.198 1.00 0.00 H new ATOM 604 N MET A 44 8.222 -6.506 -3.752 1.00 0.00 N ATOM 605 CA MET A 44 7.365 -5.347 -3.929 1.00 0.00 C ATOM 606 C MET A 44 7.650 -4.653 -5.262 1.00 0.00 C ATOM 607 O MET A 44 6.731 -4.166 -5.921 1.00 0.00 O ATOM 608 CB MET A 44 7.594 -4.362 -2.781 1.00 0.00 C ATOM 609 CG MET A 44 6.487 -4.476 -1.731 1.00 0.00 C ATOM 610 SD MET A 44 6.374 -2.960 -0.796 1.00 0.00 S ATOM 611 CE MET A 44 8.072 -2.791 -0.273 1.00 0.00 C ATOM 0 H MET A 44 8.614 -6.608 -2.816 1.00 0.00 H new ATOM 0 HA MET A 44 6.328 -5.682 -3.930 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.561 -4.557 -2.317 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.627 -3.345 -3.171 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.534 -4.685 -2.217 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.694 -5.311 -1.062 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.134 -2.057 0.530 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.440 -3.753 0.085 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.681 -2.460 -1.115 1.00 0.00 H new ATOM 619 N VAL A 45 8.924 -4.629 -5.620 1.00 0.00 N ATOM 620 CA VAL A 45 9.341 -4.002 -6.863 1.00 0.00 C ATOM 621 C VAL A 45 8.561 -4.617 -8.026 1.00 0.00 C ATOM 622 O VAL A 45 8.150 -3.911 -8.945 1.00 0.00 O ATOM 623 CB VAL A 45 10.858 -4.125 -7.028 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.213 -4.767 -8.370 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.538 -2.763 -6.875 1.00 0.00 C ATOM 0 H VAL A 45 9.683 -5.034 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 45 9.115 -2.936 -6.848 1.00 0.00 H new ATOM 0 HB VAL A 45 11.230 -4.776 -6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.296 -4.843 -8.462 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.774 -5.763 -8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.822 -4.153 -9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.615 -2.878 -6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.158 -2.079 -7.634 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.326 -2.360 -5.885 1.00 0.00 H new ATOM 635 N GLU A 46 8.381 -5.927 -7.949 1.00 0.00 N ATOM 636 CA GLU A 46 7.658 -6.646 -8.984 1.00 0.00 C ATOM 637 C GLU A 46 6.172 -6.279 -8.945 1.00 0.00 C ATOM 638 O GLU A 46 5.603 -5.874 -9.957 1.00 0.00 O ATOM 639 CB GLU A 46 7.853 -8.157 -8.841 1.00 0.00 C ATOM 640 CG GLU A 46 8.505 -8.745 -10.095 1.00 0.00 C ATOM 641 CD GLU A 46 9.559 -9.791 -9.724 1.00 0.00 C ATOM 642 OE1 GLU A 46 9.280 -10.696 -8.923 1.00 0.00 O ATOM 643 OE2 GLU A 46 10.702 -9.642 -10.304 1.00 0.00 O ATOM 0 H GLU A 46 8.724 -6.510 -7.185 1.00 0.00 H new ATOM 0 HA GLU A 46 8.061 -6.351 -9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.475 -8.367 -7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.890 -8.637 -8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.742 -9.200 -10.727 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.967 -7.948 -10.677 1.00 0.00 H new ATOM 649 N ILE A 47 5.587 -6.437 -7.766 1.00 0.00 N ATOM 650 CA ILE A 47 4.180 -6.128 -7.582 1.00 0.00 C ATOM 651 C ILE A 47 3.844 -4.835 -8.329 1.00 0.00 C ATOM 652 O ILE A 47 2.798 -4.737 -8.969 1.00 0.00 O ATOM 653 CB ILE A 47 3.830 -6.086 -6.094 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.608 -7.496 -5.543 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.629 -5.175 -5.838 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.274 -7.661 -4.175 1.00 0.00 C ATOM 0 H ILE A 47 6.062 -6.775 -6.929 1.00 0.00 H new ATOM 0 HA ILE A 47 3.559 -6.915 -8.010 1.00 0.00 H new ATOM 0 HB ILE A 47 4.677 -5.660 -5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.539 -7.693 -5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.013 -8.230 -6.239 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.402 -5.164 -4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.862 -4.163 -6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.766 -5.548 -6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.101 -8.672 -3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.346 -7.487 -4.269 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.850 -6.941 -3.475 1.00 0.00 H new ATOM 667 N ALA A 48 4.751 -3.875 -8.223 1.00 0.00 N ATOM 668 CA ALA A 48 4.564 -2.593 -8.880 1.00 0.00 C ATOM 669 C ALA A 48 4.880 -2.738 -10.370 1.00 0.00 C ATOM 670 O ALA A 48 4.110 -2.289 -11.218 1.00 0.00 O ATOM 671 CB ALA A 48 5.438 -1.538 -8.200 1.00 0.00 C ATOM 0 H ALA A 48 5.618 -3.960 -7.692 1.00 0.00 H new ATOM 0 HA ALA A 48 3.528 -2.265 -8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.297 -0.576 -8.693 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.155 -1.453 -7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.485 -1.832 -8.271 1.00 0.00 H new ATOM 677 N VAL A 49 6.013 -3.367 -10.644 1.00 0.00 N ATOM 678 CA VAL A 49 6.440 -3.577 -12.017 1.00 0.00 C ATOM 679 C VAL A 49 5.269 -4.130 -12.832 1.00 0.00 C ATOM 680 O VAL A 49 5.226 -3.968 -14.051 1.00 0.00 O ATOM 681 CB VAL A 49 7.671 -4.485 -12.050 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.281 -5.926 -12.382 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.716 -3.958 -13.036 1.00 0.00 C ATOM 0 H VAL A 49 6.649 -3.738 -9.938 1.00 0.00 H new ATOM 0 HA VAL A 49 6.737 -2.632 -12.472 1.00 0.00 H new ATOM 0 HB VAL A 49 8.117 -4.480 -11.055 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.175 -6.550 -12.399 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.592 -6.300 -11.625 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.799 -5.956 -13.359 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.580 -4.622 -13.040 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.285 -3.918 -14.036 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.028 -2.958 -12.735 1.00 0.00 H new ATOM 693 N GLN A 50 4.348 -4.769 -12.126 1.00 0.00 N ATOM 694 CA GLN A 50 3.179 -5.346 -12.770 1.00 0.00 C ATOM 695 C GLN A 50 2.028 -4.340 -12.778 1.00 0.00 C ATOM 696 O GLN A 50 1.549 -3.946 -13.841 1.00 0.00 O ATOM 697 CB GLN A 50 2.765 -6.650 -12.084 1.00 0.00 C ATOM 698 CG GLN A 50 3.918 -7.654 -12.073 1.00 0.00 C ATOM 699 CD GLN A 50 3.438 -9.035 -11.618 1.00 0.00 C ATOM 700 OE1 GLN A 50 3.783 -9.343 -10.371 1.00 0.00 O flip ATOM 701 NE2 GLN A 50 2.798 -9.770 -12.351 1.00 0.00 N flip ATOM 0 H GLN A 50 4.387 -4.900 -11.115 1.00 0.00 H new ATOM 0 HA GLN A 50 3.435 -5.583 -13.803 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.449 -6.443 -11.062 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.908 -7.081 -12.601 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.352 -7.726 -13.070 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.706 -7.301 -11.407 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.567 -9.470 -13.298 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.493 -10.684 -12.017 1.00 0.00 H new ATOM 708 N THR A 51 1.615 -3.951 -11.580 1.00 0.00 N ATOM 709 CA THR A 51 0.527 -2.999 -11.436 1.00 0.00 C ATOM 710 C THR A 51 0.800 -1.747 -12.272 1.00 0.00 C ATOM 711 O THR A 51 -0.124 -1.145 -12.818 1.00 0.00 O ATOM 712 CB THR A 51 0.349 -2.706 -9.945 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.361 -3.839 -9.452 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.598 -1.532 -9.687 1.00 0.00 C ATOM 0 H THR A 51 2.015 -4.278 -10.700 1.00 0.00 H new ATOM 0 HA THR A 51 -0.409 -3.408 -11.816 1.00 0.00 H new ATOM 0 HB THR A 51 1.320 -2.493 -9.499 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.005 -4.092 -8.575 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.689 -1.367 -8.613 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.201 -0.634 -10.160 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.580 -1.758 -10.104 1.00 0.00 H new ATOM 722 N GLU A 52 2.075 -1.392 -12.348 1.00 0.00 N ATOM 723 CA GLU A 52 2.482 -0.222 -13.109 1.00 0.00 C ATOM 724 C GLU A 52 2.521 -0.548 -14.603 1.00 0.00 C ATOM 725 O GLU A 52 2.808 0.321 -15.424 1.00 0.00 O ATOM 726 CB GLU A 52 3.836 0.302 -12.626 1.00 0.00 C ATOM 727 CG GLU A 52 3.684 1.102 -11.330 1.00 0.00 C ATOM 728 CD GLU A 52 4.902 0.913 -10.424 1.00 0.00 C ATOM 729 OE1 GLU A 52 5.505 -0.170 -10.413 1.00 0.00 O ATOM 730 OE2 GLU A 52 5.218 1.944 -9.716 1.00 0.00 O ATOM 0 H GLU A 52 2.839 -1.894 -11.895 1.00 0.00 H new ATOM 0 HA GLU A 52 1.746 0.566 -12.948 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.517 -0.534 -12.464 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.282 0.932 -13.396 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.560 2.160 -11.563 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.783 0.784 -10.805 1.00 0.00 H new ATOM 736 N ASP A 53 2.228 -1.803 -14.910 1.00 0.00 N ATOM 737 CA ASP A 53 2.226 -2.255 -16.291 1.00 0.00 C ATOM 738 C ASP A 53 0.810 -2.686 -16.680 1.00 0.00 C ATOM 739 O ASP A 53 0.206 -2.105 -17.580 1.00 0.00 O ATOM 740 CB ASP A 53 3.153 -3.457 -16.478 1.00 0.00 C ATOM 741 CG ASP A 53 4.163 -3.323 -17.621 1.00 0.00 C ATOM 742 OD1 ASP A 53 5.383 -3.319 -17.398 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.644 -3.216 -18.797 1.00 0.00 O ATOM 0 H ASP A 53 1.990 -2.521 -14.226 1.00 0.00 H new ATOM 0 HA ASP A 53 2.572 -1.432 -16.916 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.698 -3.624 -15.549 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.543 -4.343 -16.654 1.00 0.00 H new ATOM 748 N LYS A 54 0.322 -3.701 -15.982 1.00 0.00 N ATOM 749 CA LYS A 54 -1.012 -4.216 -16.244 1.00 0.00 C ATOM 750 C LYS A 54 -1.980 -3.045 -16.425 1.00 0.00 C ATOM 751 O LYS A 54 -2.833 -3.073 -17.310 1.00 0.00 O ATOM 752 CB LYS A 54 -1.432 -5.196 -15.146 1.00 0.00 C ATOM 753 CG LYS A 54 -1.102 -6.637 -15.543 1.00 0.00 C ATOM 754 CD LYS A 54 -1.536 -7.618 -14.453 1.00 0.00 C ATOM 755 CE LYS A 54 -0.343 -8.056 -13.602 1.00 0.00 C ATOM 756 NZ LYS A 54 -0.669 -9.283 -12.841 1.00 0.00 N ATOM 0 H LYS A 54 0.826 -4.180 -15.236 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.025 -4.787 -17.172 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.923 -4.945 -14.215 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.502 -5.102 -14.959 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.602 -6.884 -16.480 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.031 -6.733 -15.719 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.289 -7.151 -13.817 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.002 -8.491 -14.909 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.520 -8.237 -14.242 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.067 -7.257 -12.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.153 -9.565 -12.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.479 -9.099 -12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.910 -10.048 -13.503 1.00 0.00 H new ATOM 765 N TYR A 55 -1.814 -2.044 -15.572 1.00 0.00 N ATOM 766 CA TYR A 55 -2.663 -0.867 -15.628 1.00 0.00 C ATOM 767 C TYR A 55 -1.929 0.308 -16.279 1.00 0.00 C ATOM 768 O TYR A 55 -2.475 0.979 -17.153 1.00 0.00 O ATOM 769 CB TYR A 55 -2.984 -0.510 -14.175 1.00 0.00 C ATOM 770 CG TYR A 55 -4.363 -0.985 -13.709 1.00 0.00 C ATOM 771 CD1 TYR A 55 -5.492 -0.622 -14.414 1.00 0.00 C ATOM 772 CD2 TYR A 55 -4.475 -1.774 -12.583 1.00 0.00 C ATOM 773 CE1 TYR A 55 -6.789 -1.069 -13.974 1.00 0.00 C ATOM 774 CE2 TYR A 55 -5.771 -2.221 -12.144 1.00 0.00 C ATOM 775 CZ TYR A 55 -6.864 -1.847 -12.861 1.00 0.00 C ATOM 776 OH TYR A 55 -8.089 -2.268 -12.446 1.00 0.00 O ATOM 0 H TYR A 55 -1.105 -2.024 -14.839 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.558 -1.067 -16.218 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.223 -0.945 -13.528 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.924 0.572 -14.055 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.404 -0.003 -15.295 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.591 -2.056 -12.031 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.681 -0.793 -14.516 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.873 -2.840 -11.265 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.785 -1.753 -12.905 1.00 0.00 H new ATOM 785 N GLY A 56 -0.701 0.520 -15.826 1.00 0.00 N ATOM 786 CA GLY A 56 0.113 1.602 -16.353 1.00 0.00 C ATOM 787 C GLY A 56 0.124 2.797 -15.397 1.00 0.00 C ATOM 788 O GLY A 56 0.195 3.945 -15.833 1.00 0.00 O ATOM 0 H GLY A 56 -0.251 -0.039 -15.101 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.132 1.250 -16.513 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.273 1.912 -17.324 1.00 0.00 H new ATOM 792 N VAL A 57 0.053 2.485 -14.111 1.00 0.00 N ATOM 793 CA VAL A 57 0.053 3.519 -13.090 1.00 0.00 C ATOM 794 C VAL A 57 1.452 4.129 -12.989 1.00 0.00 C ATOM 795 O VAL A 57 2.449 3.450 -13.227 1.00 0.00 O ATOM 796 CB VAL A 57 -0.444 2.942 -11.762 1.00 0.00 C ATOM 797 CG1 VAL A 57 -1.838 2.330 -11.918 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.545 1.918 -11.204 1.00 0.00 C ATOM 0 H VAL A 57 -0.005 1.532 -13.753 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.634 4.322 -13.359 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.516 3.761 -11.047 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.168 1.927 -10.960 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.537 3.098 -12.249 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.803 1.529 -12.656 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.167 1.524 -10.260 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.664 1.102 -11.916 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.510 2.397 -11.037 1.00 0.00 H new ATOM 808 N LYS A 58 1.482 5.407 -12.638 1.00 0.00 N ATOM 809 CA LYS A 58 2.742 6.117 -12.503 1.00 0.00 C ATOM 810 C LYS A 58 3.094 6.246 -11.020 1.00 0.00 C ATOM 811 O LYS A 58 2.363 6.876 -10.257 1.00 0.00 O ATOM 812 CB LYS A 58 2.682 7.456 -13.240 1.00 0.00 C ATOM 813 CG LYS A 58 1.550 8.331 -12.698 1.00 0.00 C ATOM 814 CD LYS A 58 0.407 8.436 -13.711 1.00 0.00 C ATOM 815 CE LYS A 58 -0.929 8.054 -13.071 1.00 0.00 C ATOM 816 NZ LYS A 58 -1.845 7.485 -14.084 1.00 0.00 N ATOM 0 H LYS A 58 0.653 5.969 -12.443 1.00 0.00 H new ATOM 0 HA LYS A 58 3.549 5.555 -12.974 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.633 7.977 -13.132 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.533 7.282 -14.306 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.176 7.911 -11.764 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.932 9.326 -12.470 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.351 9.454 -14.098 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.608 7.783 -14.560 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.763 7.329 -12.274 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.384 8.932 -12.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.747 7.231 -13.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.017 8.188 -14.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.416 6.635 -14.502 1.00 0.00 H new ATOM 825 N ILE A 59 4.213 5.638 -10.655 1.00 0.00 N ATOM 826 CA ILE A 59 4.671 5.678 -9.277 1.00 0.00 C ATOM 827 C ILE A 59 6.190 5.496 -9.243 1.00 0.00 C ATOM 828 O ILE A 59 6.682 4.430 -8.879 1.00 0.00 O ATOM 829 CB ILE A 59 3.910 4.654 -8.430 1.00 0.00 C ATOM 830 CG1 ILE A 59 2.416 4.984 -8.385 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.515 4.543 -7.030 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.677 4.043 -7.431 1.00 0.00 C ATOM 0 H ILE A 59 4.816 5.115 -11.290 1.00 0.00 H new ATOM 0 HA ILE A 59 4.456 6.650 -8.832 1.00 0.00 H new ATOM 0 HB ILE A 59 4.011 3.677 -8.902 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.277 6.016 -8.064 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.991 4.901 -9.385 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.956 3.809 -6.449 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.556 4.228 -7.107 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.465 5.512 -6.534 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.617 4.298 -7.417 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.798 3.014 -7.769 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.089 4.146 -6.427 1.00 0.00 H new ATOM 843 N PRO A 60 6.907 6.582 -9.637 1.00 0.00 N ATOM 844 CA PRO A 60 8.360 6.553 -9.655 1.00 0.00 C ATOM 845 C PRO A 60 8.928 6.649 -8.237 1.00 0.00 C ATOM 846 O PRO A 60 8.187 6.875 -7.282 1.00 0.00 O ATOM 847 CB PRO A 60 8.766 7.721 -10.538 1.00 0.00 C ATOM 848 CG PRO A 60 7.553 8.636 -10.603 1.00 0.00 C ATOM 849 CD PRO A 60 6.356 7.861 -10.074 1.00 0.00 C ATOM 0 HA PRO A 60 8.757 5.617 -10.048 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.628 8.244 -10.123 1.00 0.00 H new ATOM 0 HB3 PRO A 60 9.050 7.378 -11.533 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.720 9.534 -10.008 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.375 8.961 -11.628 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.876 8.388 -9.249 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.600 7.723 -10.847 1.00 0.00 H new ATOM 854 N ASP A 61 10.238 6.472 -8.146 1.00 0.00 N ATOM 855 CA ASP A 61 10.913 6.536 -6.862 1.00 0.00 C ATOM 856 C ASP A 61 10.631 7.890 -6.208 1.00 0.00 C ATOM 857 O ASP A 61 10.429 7.969 -4.997 1.00 0.00 O ATOM 858 CB ASP A 61 12.428 6.398 -7.029 1.00 0.00 C ATOM 859 CG ASP A 61 13.003 5.040 -6.623 1.00 0.00 C ATOM 860 OD1 ASP A 61 13.237 4.166 -7.471 1.00 0.00 O ATOM 861 OD2 ASP A 61 13.215 4.893 -5.359 1.00 0.00 O ATOM 0 H ASP A 61 10.849 6.284 -8.941 1.00 0.00 H new ATOM 0 HA ASP A 61 10.542 5.718 -6.245 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.682 6.586 -8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.915 7.173 -6.438 1.00 0.00 H new ATOM 866 N GLU A 62 10.626 8.922 -7.039 1.00 0.00 N ATOM 867 CA GLU A 62 10.372 10.269 -6.557 1.00 0.00 C ATOM 868 C GLU A 62 9.211 10.265 -5.559 1.00 0.00 C ATOM 869 O GLU A 62 9.132 11.133 -4.690 1.00 0.00 O ATOM 870 CB GLU A 62 10.093 11.224 -7.719 1.00 0.00 C ATOM 871 CG GLU A 62 10.029 12.673 -7.235 1.00 0.00 C ATOM 872 CD GLU A 62 11.302 13.434 -7.608 1.00 0.00 C ATOM 873 OE1 GLU A 62 12.388 12.837 -7.659 1.00 0.00 O ATOM 874 OE2 GLU A 62 11.136 14.689 -7.850 1.00 0.00 O ATOM 0 H GLU A 62 10.794 8.852 -8.043 1.00 0.00 H new ATOM 0 HA GLU A 62 11.266 10.625 -6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.874 11.123 -8.473 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.151 10.955 -8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.163 13.169 -7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.893 12.693 -6.154 1.00 0.00 H new ATOM 880 N ASP A 63 8.339 9.280 -5.719 1.00 0.00 N ATOM 881 CA ASP A 63 7.187 9.153 -4.843 1.00 0.00 C ATOM 882 C ASP A 63 7.301 7.854 -4.042 1.00 0.00 C ATOM 883 O ASP A 63 6.971 7.820 -2.858 1.00 0.00 O ATOM 884 CB ASP A 63 5.887 9.099 -5.648 1.00 0.00 C ATOM 885 CG ASP A 63 4.859 10.174 -5.290 1.00 0.00 C ATOM 886 OD1 ASP A 63 4.978 11.336 -5.708 1.00 0.00 O ATOM 887 OD2 ASP A 63 3.889 9.774 -4.539 1.00 0.00 O ATOM 0 H ASP A 63 8.407 8.563 -6.442 1.00 0.00 H new ATOM 0 HA ASP A 63 7.168 10.021 -4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.129 9.188 -6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.430 8.119 -5.507 1.00 0.00 H new ATOM 892 N LEU A 64 7.770 6.817 -4.721 1.00 0.00 N ATOM 893 CA LEU A 64 7.932 5.520 -4.088 1.00 0.00 C ATOM 894 C LEU A 64 8.744 5.684 -2.801 1.00 0.00 C ATOM 895 O LEU A 64 8.676 4.839 -1.908 1.00 0.00 O ATOM 896 CB LEU A 64 8.535 4.515 -5.071 1.00 0.00 C ATOM 897 CG LEU A 64 8.116 3.056 -4.880 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.540 2.540 -3.504 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.616 2.881 -5.122 1.00 0.00 C ATOM 0 H LEU A 64 8.043 6.849 -5.703 1.00 0.00 H new ATOM 0 HA LEU A 64 6.962 5.111 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.266 4.820 -6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.621 4.573 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 64 8.634 2.451 -5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.230 1.501 -3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.624 2.608 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.069 3.143 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.344 1.835 -4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.059 3.500 -4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.374 3.184 -6.141 1.00 0.00 H new ATOM 910 N ALA A 65 9.493 6.775 -2.745 1.00 0.00 N ATOM 911 CA ALA A 65 10.316 7.060 -1.583 1.00 0.00 C ATOM 912 C ALA A 65 9.415 7.435 -0.404 1.00 0.00 C ATOM 913 O ALA A 65 9.756 7.176 0.749 1.00 0.00 O ATOM 914 CB ALA A 65 11.318 8.164 -1.926 1.00 0.00 C ATOM 0 H ALA A 65 9.547 7.473 -3.487 1.00 0.00 H new ATOM 0 HA ALA A 65 10.888 6.179 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.936 8.378 -1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.953 7.836 -2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.780 9.065 -2.220 1.00 0.00 H new ATOM 920 N GLY A 66 8.283 8.037 -0.736 1.00 0.00 N ATOM 921 CA GLY A 66 7.330 8.451 0.281 1.00 0.00 C ATOM 922 C GLY A 66 6.293 7.355 0.538 1.00 0.00 C ATOM 923 O GLY A 66 6.136 6.897 1.668 1.00 0.00 O ATOM 0 H GLY A 66 8.004 8.248 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.857 8.682 1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.828 9.365 -0.036 1.00 0.00 H new ATOM 927 N LEU A 67 5.613 6.966 -0.530 1.00 0.00 N ATOM 928 CA LEU A 67 4.596 5.933 -0.434 1.00 0.00 C ATOM 929 C LEU A 67 5.071 4.843 0.528 1.00 0.00 C ATOM 930 O LEU A 67 6.061 4.164 0.261 1.00 0.00 O ATOM 931 CB LEU A 67 4.231 5.410 -1.825 1.00 0.00 C ATOM 932 CG LEU A 67 3.988 6.472 -2.899 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.307 5.864 -4.127 1.00 0.00 C ATOM 934 CD2 LEU A 67 3.198 7.654 -2.332 1.00 0.00 C ATOM 0 H LEU A 67 5.746 7.348 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 67 3.674 6.343 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.032 4.754 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.333 4.799 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 67 4.955 6.857 -3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.146 6.640 -4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.942 5.083 -4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.348 5.435 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.039 8.395 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.234 7.304 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.758 8.107 -1.513 1.00 0.00 H new ATOM 945 N ARG A 68 4.344 4.709 1.627 1.00 0.00 N ATOM 946 CA ARG A 68 4.679 3.714 2.630 1.00 0.00 C ATOM 947 C ARG A 68 3.631 2.598 2.641 1.00 0.00 C ATOM 948 O ARG A 68 3.973 1.421 2.541 1.00 0.00 O ATOM 949 CB ARG A 68 4.760 4.340 4.024 1.00 0.00 C ATOM 950 CG ARG A 68 6.184 4.263 4.577 1.00 0.00 C ATOM 951 CD ARG A 68 6.185 3.740 6.015 1.00 0.00 C ATOM 952 NE ARG A 68 6.412 4.858 6.960 1.00 0.00 N ATOM 953 CZ ARG A 68 6.412 4.723 8.304 1.00 0.00 C ATOM 954 NH1 ARG A 68 6.197 3.518 8.873 1.00 0.00 N ATOM 955 NH2 ARG A 68 6.625 5.789 9.052 1.00 0.00 N ATOM 0 H ARG A 68 3.523 5.274 1.845 1.00 0.00 H new ATOM 0 HA ARG A 68 5.654 3.301 2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.439 5.381 3.978 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.076 3.825 4.698 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.788 3.609 3.948 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.645 5.250 4.545 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.234 3.254 6.235 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.963 2.987 6.136 1.00 0.00 H new ATOM 0 HE ARG A 68 6.578 5.787 6.572 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.033 2.699 8.287 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.199 3.426 9.889 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.786 6.696 8.614 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.629 5.706 10.069 1.00 0.00 H new ATOM 964 N THR A 69 2.377 3.008 2.762 1.00 0.00 N ATOM 965 CA THR A 69 1.279 2.058 2.787 1.00 0.00 C ATOM 966 C THR A 69 0.488 2.122 1.478 1.00 0.00 C ATOM 967 O THR A 69 0.609 3.085 0.722 1.00 0.00 O ATOM 968 CB THR A 69 0.428 2.350 4.025 1.00 0.00 C ATOM 969 OG1 THR A 69 -0.090 3.657 3.789 1.00 0.00 O ATOM 970 CG2 THR A 69 1.273 2.507 5.291 1.00 0.00 C ATOM 0 H THR A 69 2.097 3.986 2.844 1.00 0.00 H new ATOM 0 HA THR A 69 1.645 1.034 2.860 1.00 0.00 H new ATOM 0 HB THR A 69 -0.294 1.546 4.168 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.656 3.926 4.543 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.621 2.713 6.140 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.828 1.587 5.474 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.972 3.333 5.162 1.00 0.00 H new ATOM 978 N VAL A 70 -0.304 1.085 1.251 1.00 0.00 N ATOM 979 CA VAL A 70 -1.115 1.011 0.047 1.00 0.00 C ATOM 980 C VAL A 70 -1.949 2.288 -0.080 1.00 0.00 C ATOM 981 O VAL A 70 -2.087 2.837 -1.170 1.00 0.00 O ATOM 982 CB VAL A 70 -1.965 -0.260 0.066 1.00 0.00 C ATOM 983 CG1 VAL A 70 -2.636 -0.491 -1.290 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.128 -1.473 0.478 1.00 0.00 C ATOM 0 H VAL A 70 -0.402 0.288 1.880 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.481 0.948 -0.838 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.751 -0.127 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.234 -1.401 -1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.280 0.356 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.872 -0.593 -2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.756 -2.364 0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.311 -1.609 -0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.719 -1.311 1.475 1.00 0.00 H new ATOM 994 N GLY A 71 -2.484 2.720 1.052 1.00 0.00 N ATOM 995 CA GLY A 71 -3.301 3.922 1.082 1.00 0.00 C ATOM 996 C GLY A 71 -2.537 5.120 0.516 1.00 0.00 C ATOM 997 O GLY A 71 -3.120 5.977 -0.146 1.00 0.00 O ATOM 0 H GLY A 71 -2.368 2.260 1.955 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.211 3.761 0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.607 4.133 2.107 1.00 0.00 H new ATOM 1001 N ASP A 72 -1.242 5.141 0.796 1.00 0.00 N ATOM 1002 CA ASP A 72 -0.390 6.219 0.322 1.00 0.00 C ATOM 1003 C ASP A 72 0.096 5.895 -1.091 1.00 0.00 C ATOM 1004 O ASP A 72 0.321 6.798 -1.896 1.00 0.00 O ATOM 1005 CB ASP A 72 0.838 6.385 1.220 1.00 0.00 C ATOM 1006 CG ASP A 72 1.342 7.822 1.365 1.00 0.00 C ATOM 1007 OD1 ASP A 72 1.276 8.622 0.419 1.00 0.00 O ATOM 1008 OD2 ASP A 72 1.825 8.116 2.525 1.00 0.00 O ATOM 0 H ASP A 72 -0.762 4.428 1.345 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.972 7.140 0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.600 5.997 2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.646 5.771 0.823 1.00 0.00 H new ATOM 1013 N VAL A 73 0.246 4.605 -1.351 1.00 0.00 N ATOM 1014 CA VAL A 73 0.702 4.151 -2.653 1.00 0.00 C ATOM 1015 C VAL A 73 -0.468 4.184 -3.639 1.00 0.00 C ATOM 1016 O VAL A 73 -0.269 4.069 -4.847 1.00 0.00 O ATOM 1017 CB VAL A 73 1.342 2.767 -2.530 1.00 0.00 C ATOM 1018 CG1 VAL A 73 2.048 2.372 -3.829 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.306 2.711 -1.343 1.00 0.00 C ATOM 0 H VAL A 73 0.059 3.859 -0.681 1.00 0.00 H new ATOM 0 HA VAL A 73 1.473 4.817 -3.041 1.00 0.00 H new ATOM 0 HB VAL A 73 0.546 2.045 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.494 1.384 -3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.325 2.351 -4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.828 3.099 -4.055 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.747 1.716 -1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.096 3.450 -1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.763 2.927 -0.423 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.662 4.342 -3.086 1.00 0.00 N ATOM 1030 CA VAL A 74 -2.863 4.391 -3.901 1.00 0.00 C ATOM 1031 C VAL A 74 -3.246 5.851 -4.149 1.00 0.00 C ATOM 1032 O VAL A 74 -3.500 6.245 -5.286 1.00 0.00 O ATOM 1033 CB VAL A 74 -3.980 3.584 -3.236 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.304 3.760 -3.985 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -3.601 2.105 -3.131 1.00 0.00 C ATOM 0 H VAL A 74 -1.823 4.438 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.684 3.932 -4.873 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.114 3.967 -2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.081 3.176 -3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.585 4.813 -3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.189 3.416 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.412 1.554 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.426 1.703 -4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.694 2.003 -2.535 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.276 6.614 -3.067 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.623 8.022 -3.153 1.00 0.00 C ATOM 1047 C ALA A 75 -2.897 8.651 -4.344 1.00 0.00 C ATOM 1048 O ALA A 75 -3.529 9.222 -5.230 1.00 0.00 O ATOM 1049 CB ALA A 75 -3.283 8.713 -1.831 1.00 0.00 C ATOM 0 H ALA A 75 -3.066 6.284 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.693 8.144 -3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.543 9.770 -1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.847 8.249 -1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.216 8.614 -1.632 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.578 8.524 -4.325 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.759 9.073 -5.393 1.00 0.00 C ATOM 1057 C TYR A 76 -1.311 8.682 -6.764 1.00 0.00 C ATOM 1058 O TYR A 76 -1.109 9.396 -7.745 1.00 0.00 O ATOM 1059 CB TYR A 76 0.630 8.452 -5.219 1.00 0.00 C ATOM 1060 CG TYR A 76 1.697 9.051 -6.138 1.00 0.00 C ATOM 1061 CD1 TYR A 76 1.587 10.359 -6.561 1.00 0.00 C ATOM 1062 CD2 TYR A 76 2.770 8.283 -6.541 1.00 0.00 C ATOM 1063 CE1 TYR A 76 2.592 10.923 -7.425 1.00 0.00 C ATOM 1064 CE2 TYR A 76 3.775 8.847 -7.405 1.00 0.00 C ATOM 1065 CZ TYR A 76 3.637 10.139 -7.804 1.00 0.00 C ATOM 1066 OH TYR A 76 4.586 10.670 -8.620 1.00 0.00 O ATOM 0 H TYR A 76 -1.057 8.050 -3.588 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.741 10.162 -5.342 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.946 8.576 -4.183 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.564 7.380 -5.406 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.748 10.960 -6.245 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.856 7.259 -6.209 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.518 11.946 -7.764 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.619 8.256 -7.729 1.00 0.00 H new ATOM 0 HH TYR A 76 5.229 11.181 -8.085 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.999 7.550 -6.789 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.582 7.055 -8.024 1.00 0.00 C ATOM 1077 C ILE A 77 -3.814 7.894 -8.373 1.00 0.00 C ATOM 1078 O ILE A 77 -3.777 8.702 -9.299 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.869 5.556 -7.920 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.716 4.825 -7.229 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -3.185 4.960 -9.292 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -1.897 3.308 -7.321 1.00 0.00 C ATOM 0 H ILE A 77 -2.166 6.961 -5.973 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.877 7.164 -8.848 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.755 5.420 -7.300 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.771 5.111 -7.690 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.664 5.126 -6.183 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.385 3.894 -9.188 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.062 5.454 -9.710 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.334 5.107 -9.957 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.065 2.811 -6.822 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.832 3.023 -6.838 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.924 3.008 -8.368 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.876 7.671 -7.613 1.00 0.00 N ATOM 1094 CA GLN A 78 -6.117 8.397 -7.829 1.00 0.00 C ATOM 1095 C GLN A 78 -5.885 9.901 -7.684 1.00 0.00 C ATOM 1096 O GLN A 78 -6.237 10.676 -8.572 1.00 0.00 O ATOM 1097 CB GLN A 78 -7.208 7.916 -6.870 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.432 6.408 -7.007 1.00 0.00 C ATOM 1099 CD GLN A 78 -7.955 5.811 -5.700 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -8.153 6.496 -4.710 1.00 0.00 O ATOM 1101 NE2 GLN A 78 -8.169 4.499 -5.751 1.00 0.00 N ATOM 0 H GLN A 78 -4.903 6.998 -6.847 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.458 8.198 -8.845 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.926 8.154 -5.844 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -8.138 8.446 -7.076 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.143 6.214 -7.810 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.497 5.922 -7.285 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.982 3.985 -6.612 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.520 4.007 -4.929 1.00 0.00 H new ATOM 1108 N LYS A 79 -5.291 10.271 -6.558 1.00 0.00 N ATOM 1109 CA LYS A 79 -5.008 11.670 -6.285 1.00 0.00 C ATOM 1110 C LYS A 79 -4.589 12.363 -7.583 1.00 0.00 C ATOM 1111 O LYS A 79 -4.933 13.522 -7.812 1.00 0.00 O ATOM 1112 CB LYS A 79 -3.980 11.798 -5.160 1.00 0.00 C ATOM 1113 CG LYS A 79 -4.505 11.179 -3.864 1.00 0.00 C ATOM 1114 CD LYS A 79 -5.395 12.167 -3.106 1.00 0.00 C ATOM 1115 CE LYS A 79 -4.555 13.253 -2.429 1.00 0.00 C ATOM 1116 NZ LYS A 79 -5.133 14.590 -2.688 1.00 0.00 N ATOM 0 H LYS A 79 -4.998 9.626 -5.824 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.903 12.178 -5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.053 11.306 -5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.745 12.850 -4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.070 10.275 -4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.667 10.881 -3.234 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.103 12.627 -3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.980 11.634 -2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.511 13.071 -1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.531 13.214 -2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.552 15.316 -2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.152 14.767 -3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.102 14.628 -2.312 1.00 0.00 H new