USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 GLN : amide:sc= -9.75! C(o=-10!,f=-16!) USER MOD Set 1.2: A 86 MET CE :methyl -149:sc= -0.294 (180deg=0) USER MOD Single : A 3 MET CE :methyl -112:sc= -0.355 (180deg=-1.29) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.303 K(o=-0.3,f=-3.3!) USER MOD Single : A 7 GLN : amide:sc=-0.00696 K(o=-0.007,f=-2.3!) 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+ -160:sc= 0.414 (180deg=0.224) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.175 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 164:sc= 0.833 USER MOD Single : A 46 MET CE :methyl -154:sc= -2.12 (180deg=-4.09!) USER MOD Single : A 48 MET CE :methyl -162:sc=-0.00275 (180deg=-0.191) USER MOD Single : A 52 ASN : amide:sc= -1.11 K(o=-1.1,f=-5!) USER MOD Single : A 54 THR OG1 : rot -110:sc= -3.66! USER MOD Single : A 55 LYS NZ :NH3+ -119:sc= -0.0203 (180deg=-0.356) USER MOD Single : A 72 THR OG1 : rot -44:sc= 0.301 USER MOD Single : A 81 MET CE :methyl 150:sc= -5.45! (180deg=-7.01!) USER MOD Single : A 82 MET CE :methyl -156:sc= -9.75! (180deg=-11.2!) USER MOD Single : A 85 GLN : amide:sc= -0.584 K(o=-0.58,f=-1.4) USER MOD Single : A 87 LYS NZ :NH3+ -153:sc= 0.00497 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.505 -6.672 -11.310 1.00 0.00 N ATOM 25 CA MET A 3 64.272 -5.816 -10.110 1.00 0.00 C ATOM 26 C MET A 3 62.896 -5.149 -10.192 1.00 0.00 C ATOM 27 O MET A 3 62.235 -4.939 -9.194 1.00 0.00 O ATOM 28 CB MET A 3 65.377 -4.761 -10.156 1.00 0.00 C ATOM 29 CG MET A 3 66.592 -5.258 -9.369 1.00 0.00 C ATOM 30 SD MET A 3 67.797 -3.917 -9.209 1.00 0.00 S ATOM 31 CE MET A 3 67.632 -3.675 -7.423 1.00 0.00 C ATOM 0 HA MET A 3 64.292 -6.392 -9.185 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.658 -4.559 -11.190 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.016 -3.823 -9.734 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.283 -5.603 -8.382 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.045 -6.109 -9.877 1.00 0.00 H new ATOM 0 HE1 MET A 3 67.171 -2.707 -7.228 1.00 0.00 H new ATOM 0 HE2 MET A 3 67.008 -4.465 -7.005 1.00 0.00 H new ATOM 0 HE3 MET A 3 68.618 -3.707 -6.959 1.00 0.00 H new ATOM 41 N THR A 4 62.459 -4.815 -11.376 1.00 0.00 N ATOM 42 CA THR A 4 61.126 -4.161 -11.524 1.00 0.00 C ATOM 43 C THR A 4 60.070 -4.919 -10.717 1.00 0.00 C ATOM 44 O THR A 4 59.047 -4.376 -10.348 1.00 0.00 O ATOM 45 CB THR A 4 60.814 -4.234 -13.019 1.00 0.00 C ATOM 46 OG1 THR A 4 59.637 -3.486 -13.293 1.00 0.00 O ATOM 47 CG2 THR A 4 60.600 -5.693 -13.426 1.00 0.00 C ATOM 0 H THR A 4 62.967 -4.966 -12.247 1.00 0.00 H new ATOM 0 HA THR A 4 61.127 -3.135 -11.157 1.00 0.00 H new ATOM 0 HB THR A 4 61.648 -3.820 -13.585 1.00 0.00 H new ATOM 0 HG1 THR A 4 59.437 -3.531 -14.251 1.00 0.00 H new ATOM 0 HG21 THR A 4 60.378 -5.745 -14.492 1.00 0.00 H new ATOM 0 HG22 THR A 4 61.503 -6.266 -13.216 1.00 0.00 H new ATOM 0 HG23 THR A 4 59.766 -6.110 -12.861 1.00 0.00 H new ATOM 55 N ASP A 5 60.309 -6.172 -10.440 1.00 0.00 N ATOM 56 CA ASP A 5 59.316 -6.963 -9.656 1.00 0.00 C ATOM 57 C ASP A 5 59.578 -6.805 -8.157 1.00 0.00 C ATOM 58 O ASP A 5 58.749 -6.308 -7.421 1.00 0.00 O ATOM 59 CB ASP A 5 59.537 -8.413 -10.092 1.00 0.00 C ATOM 60 CG ASP A 5 58.812 -9.353 -9.126 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.905 -8.894 -8.452 1.00 0.00 O ATOM 62 OD2 ASP A 5 59.176 -10.516 -9.078 1.00 0.00 O ATOM 0 H ASP A 5 61.146 -6.682 -10.721 1.00 0.00 H new ATOM 0 HA ASP A 5 58.292 -6.635 -9.833 1.00 0.00 H new ATOM 0 HB2 ASP A 5 59.166 -8.560 -11.106 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.603 -8.641 -10.107 1.00 0.00 H new ATOM 67 N GLN A 6 60.728 -7.220 -7.699 1.00 0.00 N ATOM 68 CA GLN A 6 61.043 -7.091 -6.247 1.00 0.00 C ATOM 69 C GLN A 6 61.010 -5.620 -5.828 1.00 0.00 C ATOM 70 O GLN A 6 61.002 -5.299 -4.657 1.00 0.00 O ATOM 71 CB GLN A 6 62.454 -7.659 -6.098 1.00 0.00 C ATOM 72 CG GLN A 6 62.385 -9.031 -5.426 1.00 0.00 C ATOM 73 CD GLN A 6 63.522 -9.912 -5.942 1.00 0.00 C ATOM 74 OE1 GLN A 6 64.209 -9.552 -6.877 1.00 0.00 O ATOM 75 NE2 GLN A 6 63.753 -11.062 -5.369 1.00 0.00 N ATOM 0 H GLN A 6 61.463 -7.642 -8.267 1.00 0.00 H new ATOM 0 HA GLN A 6 60.323 -7.616 -5.619 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.928 -7.745 -7.076 1.00 0.00 H new ATOM 0 HB3 GLN A 6 63.069 -6.982 -5.504 1.00 0.00 H new ATOM 0 HG2 GLN A 6 62.459 -8.921 -4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 6 61.424 -9.501 -5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 6 63.177 -11.365 -4.584 1.00 0.00 H new ATOM 0 HE22 GLN A 6 64.510 -11.657 -5.706 1.00 0.00 H new ATOM 84 N GLN A 7 60.990 -4.724 -6.776 1.00 0.00 N ATOM 85 CA GLN A 7 60.960 -3.275 -6.429 1.00 0.00 C ATOM 86 C GLN A 7 59.559 -2.865 -5.970 1.00 0.00 C ATOM 87 O GLN A 7 59.379 -1.832 -5.359 1.00 0.00 O ATOM 88 CB GLN A 7 61.333 -2.551 -7.722 1.00 0.00 C ATOM 89 CG GLN A 7 61.377 -1.043 -7.466 1.00 0.00 C ATOM 90 CD GLN A 7 60.263 -0.359 -8.262 1.00 0.00 C ATOM 91 OE1 GLN A 7 59.125 -0.781 -8.222 1.00 0.00 O ATOM 92 NE2 GLN A 7 60.546 0.687 -8.989 1.00 0.00 N ATOM 0 H GLN A 7 60.993 -4.932 -7.775 1.00 0.00 H new ATOM 0 HA GLN A 7 61.642 -3.034 -5.614 1.00 0.00 H new ATOM 0 HB2 GLN A 7 62.302 -2.899 -8.080 1.00 0.00 H new ATOM 0 HB3 GLN A 7 60.606 -2.778 -8.501 1.00 0.00 H new ATOM 0 HG2 GLN A 7 61.256 -0.840 -6.402 1.00 0.00 H new ATOM 0 HG3 GLN A 7 62.347 -0.642 -7.759 1.00 0.00 H new ATOM 0 HE21 GLN A 7 61.502 1.041 -9.022 1.00 0.00 H new ATOM 0 HE22 GLN A 7 59.811 1.150 -9.524 1.00 0.00 H new ATOM 101 N ALA A 8 58.566 -3.660 -6.264 1.00 0.00 N ATOM 102 CA ALA A 8 57.176 -3.306 -5.848 1.00 0.00 C ATOM 103 C ALA A 8 56.878 -3.840 -4.442 1.00 0.00 C ATOM 104 O ALA A 8 56.777 -3.090 -3.492 1.00 0.00 O ATOM 105 CB ALA A 8 56.269 -3.982 -6.877 1.00 0.00 C ATOM 0 H ALA A 8 58.656 -4.539 -6.774 1.00 0.00 H new ATOM 0 HA ALA A 8 57.026 -2.227 -5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 8 55.227 -3.768 -6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 8 56.500 -3.601 -7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.433 -5.059 -6.854 1.00 0.00 H new ATOM 111 N GLU A 9 56.729 -5.128 -4.306 1.00 0.00 N ATOM 112 CA GLU A 9 56.426 -5.710 -2.965 1.00 0.00 C ATOM 113 C GLU A 9 57.351 -5.116 -1.899 1.00 0.00 C ATOM 114 O GLU A 9 56.969 -4.949 -0.757 1.00 0.00 O ATOM 115 CB GLU A 9 56.681 -7.209 -3.118 1.00 0.00 C ATOM 116 CG GLU A 9 55.416 -7.893 -3.642 1.00 0.00 C ATOM 117 CD GLU A 9 55.795 -9.199 -4.343 1.00 0.00 C ATOM 118 OE1 GLU A 9 56.320 -9.129 -5.442 1.00 0.00 O ATOM 119 OE2 GLU A 9 55.554 -10.248 -3.768 1.00 0.00 O ATOM 0 H GLU A 9 56.804 -5.805 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 9 55.405 -5.497 -2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 9 57.510 -7.379 -3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 9 56.969 -7.639 -2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 9 54.731 -8.095 -2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 9 54.894 -7.234 -4.336 1.00 0.00 H new ATOM 126 N ALA A 10 58.565 -4.801 -2.256 1.00 0.00 N ATOM 127 CA ALA A 10 59.508 -4.224 -1.255 1.00 0.00 C ATOM 128 C ALA A 10 58.834 -3.089 -0.473 1.00 0.00 C ATOM 129 O ALA A 10 59.211 -2.784 0.640 1.00 0.00 O ATOM 130 CB ALA A 10 60.685 -3.693 -2.075 1.00 0.00 C ATOM 0 H ALA A 10 58.945 -4.917 -3.195 1.00 0.00 H new ATOM 0 HA ALA A 10 59.827 -4.962 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.424 -3.251 -1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.141 -4.513 -2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.329 -2.936 -2.774 1.00 0.00 H new ATOM 136 N ARG A 11 57.837 -2.464 -1.043 1.00 0.00 N ATOM 137 CA ARG A 11 57.146 -1.354 -0.319 1.00 0.00 C ATOM 138 C ARG A 11 55.922 -1.898 0.418 1.00 0.00 C ATOM 139 O ARG A 11 55.742 -1.677 1.599 1.00 0.00 O ATOM 140 CB ARG A 11 56.696 -0.358 -1.395 1.00 0.00 C ATOM 141 CG ARG A 11 57.774 -0.186 -2.468 1.00 0.00 C ATOM 142 CD ARG A 11 57.121 -0.301 -3.847 1.00 0.00 C ATOM 143 NE ARG A 11 56.877 1.104 -4.272 1.00 0.00 N ATOM 144 CZ ARG A 11 55.667 1.496 -4.564 1.00 0.00 C ATOM 145 NH1 ARG A 11 55.192 1.306 -5.765 1.00 0.00 N ATOM 146 NH2 ARG A 11 54.932 2.076 -3.656 1.00 0.00 N ATOM 0 H ARG A 11 57.472 -2.672 -1.973 1.00 0.00 H new ATOM 0 HA ARG A 11 57.804 -0.886 0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 11 55.772 -0.707 -1.855 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.478 0.606 -0.935 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.262 0.783 -2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.547 -0.946 -2.352 1.00 0.00 H new ATOM 0 HD2 ARG A 11 57.772 -0.819 -4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.190 -0.866 -3.798 1.00 0.00 H new ATOM 0 HE ARG A 11 57.655 1.760 -4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 11 55.767 0.851 -6.475 1.00 0.00 H new ATOM 0 HH12 ARG A 11 54.246 1.612 -5.994 1.00 0.00 H new ATOM 0 HH21 ARG A 11 55.303 2.223 -2.717 1.00 0.00 H new ATOM 0 HH22 ARG A 11 53.986 2.382 -3.885 1.00 0.00 H new ATOM 160 N ALA A 12 55.076 -2.605 -0.280 1.00 0.00 N ATOM 161 CA ALA A 12 53.853 -3.165 0.362 1.00 0.00 C ATOM 162 C ALA A 12 54.234 -4.124 1.494 1.00 0.00 C ATOM 163 O ALA A 12 53.402 -4.528 2.283 1.00 0.00 O ATOM 164 CB ALA A 12 53.134 -3.914 -0.760 1.00 0.00 C ATOM 0 H ALA A 12 55.180 -2.820 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 12 53.227 -2.391 0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.218 -4.359 -0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.887 -3.218 -1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 12 53.783 -4.699 -1.148 1.00 0.00 H new ATOM 170 N PHE A 13 55.482 -4.491 1.583 1.00 0.00 N ATOM 171 CA PHE A 13 55.905 -5.421 2.667 1.00 0.00 C ATOM 172 C PHE A 13 55.321 -4.961 4.006 1.00 0.00 C ATOM 173 O PHE A 13 54.879 -5.760 4.808 1.00 0.00 O ATOM 174 CB PHE A 13 57.431 -5.332 2.686 1.00 0.00 C ATOM 175 CG PHE A 13 57.955 -5.933 3.967 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.566 -7.223 4.345 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.830 -5.199 4.776 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.050 -7.779 5.534 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.315 -5.756 5.966 1.00 0.00 C ATOM 180 CZ PHE A 13 58.926 -7.046 6.344 1.00 0.00 C ATOM 0 H PHE A 13 56.226 -4.188 0.954 1.00 0.00 H new ATOM 0 HA PHE A 13 55.559 -6.441 2.502 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.847 -5.859 1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.746 -4.292 2.604 1.00 0.00 H new ATOM 0 HD1 PHE A 13 56.892 -7.789 3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.131 -4.204 4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 13 57.748 -8.774 5.827 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.989 -5.190 6.592 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.301 -7.476 7.261 1.00 0.00 H new ATOM 190 N LEU A 14 55.312 -3.680 4.249 1.00 0.00 N ATOM 191 CA LEU A 14 54.753 -3.166 5.534 1.00 0.00 C ATOM 192 C LEU A 14 53.726 -2.063 5.258 1.00 0.00 C ATOM 193 O LEU A 14 53.428 -1.749 4.123 1.00 0.00 O ATOM 194 CB LEU A 14 55.953 -2.608 6.306 1.00 0.00 C ATOM 195 CG LEU A 14 56.893 -1.869 5.348 1.00 0.00 C ATOM 196 CD1 LEU A 14 56.134 -0.740 4.651 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.064 -1.281 6.138 1.00 0.00 C ATOM 0 H LEU A 14 55.667 -2.965 3.614 1.00 0.00 H new ATOM 0 HA LEU A 14 54.240 -3.944 6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 14 55.610 -1.930 7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.488 -3.419 6.800 1.00 0.00 H new ATOM 0 HG LEU A 14 57.269 -2.567 4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 14 56.805 -0.216 3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 14 55.299 -1.156 4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 14 55.756 -0.041 5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 14 58.734 -0.755 5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 14 57.685 -0.584 6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 14 58.608 -2.085 6.634 1.00 0.00 H new ATOM 209 N SER A 15 53.181 -1.476 6.288 1.00 0.00 N ATOM 210 CA SER A 15 52.171 -0.397 6.082 1.00 0.00 C ATOM 211 C SER A 15 52.864 0.962 5.957 1.00 0.00 C ATOM 212 O SER A 15 54.009 1.123 6.331 1.00 0.00 O ATOM 213 CB SER A 15 51.293 -0.436 7.332 1.00 0.00 C ATOM 214 OG SER A 15 50.071 -1.097 7.026 1.00 0.00 O ATOM 0 H SER A 15 53.390 -1.696 7.262 1.00 0.00 H new ATOM 0 HA SER A 15 51.592 -0.542 5.170 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.810 -0.957 8.138 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.094 0.577 7.683 1.00 0.00 H new ATOM 0 HG SER A 15 49.505 -1.126 7.826 1.00 0.00 H new ATOM 220 N GLU A 16 52.180 1.942 5.433 1.00 0.00 N ATOM 221 CA GLU A 16 52.799 3.290 5.285 1.00 0.00 C ATOM 222 C GLU A 16 53.389 3.747 6.622 1.00 0.00 C ATOM 223 O GLU A 16 54.364 4.472 6.666 1.00 0.00 O ATOM 224 CB GLU A 16 51.654 4.210 4.861 1.00 0.00 C ATOM 225 CG GLU A 16 52.085 5.668 5.017 1.00 0.00 C ATOM 226 CD GLU A 16 51.718 6.449 3.754 1.00 0.00 C ATOM 227 OE1 GLU A 16 51.666 5.839 2.698 1.00 0.00 O ATOM 228 OE2 GLU A 16 51.494 7.643 3.864 1.00 0.00 O ATOM 0 H GLU A 16 51.219 1.868 5.101 1.00 0.00 H new ATOM 0 HA GLU A 16 53.612 3.294 4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.378 4.010 3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.771 4.014 5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.597 6.111 5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 16 53.159 5.724 5.192 1.00 0.00 H new ATOM 235 N GLU A 17 52.808 3.328 7.713 1.00 0.00 N ATOM 236 CA GLU A 17 53.339 3.739 9.044 1.00 0.00 C ATOM 237 C GLU A 17 54.866 3.618 9.062 1.00 0.00 C ATOM 238 O GLU A 17 55.559 4.463 9.592 1.00 0.00 O ATOM 239 CB GLU A 17 52.711 2.764 10.041 1.00 0.00 C ATOM 240 CG GLU A 17 52.981 1.327 9.590 1.00 0.00 C ATOM 241 CD GLU A 17 52.020 0.378 10.305 1.00 0.00 C ATOM 242 OE1 GLU A 17 50.853 0.719 10.414 1.00 0.00 O ATOM 243 OE2 GLU A 17 52.465 -0.674 10.734 1.00 0.00 O ATOM 0 H GLU A 17 51.990 2.720 7.740 1.00 0.00 H new ATOM 0 HA GLU A 17 53.099 4.775 9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 17 53.125 2.928 11.036 1.00 0.00 H new ATOM 0 HB3 GLU A 17 51.637 2.939 10.110 1.00 0.00 H new ATOM 0 HG2 GLU A 17 52.855 1.244 8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 17 54.012 1.053 9.812 1.00 0.00 H new ATOM 250 N MET A 18 55.394 2.575 8.481 1.00 0.00 N ATOM 251 CA MET A 18 56.875 2.403 8.461 1.00 0.00 C ATOM 252 C MET A 18 57.481 3.221 7.319 1.00 0.00 C ATOM 253 O MET A 18 58.441 3.944 7.501 1.00 0.00 O ATOM 254 CB MET A 18 57.099 0.909 8.229 1.00 0.00 C ATOM 255 CG MET A 18 58.546 0.550 8.572 1.00 0.00 C ATOM 256 SD MET A 18 58.566 -0.866 9.699 1.00 0.00 S ATOM 257 CE MET A 18 58.396 0.068 11.240 1.00 0.00 C ATOM 0 H MET A 18 54.865 1.835 8.020 1.00 0.00 H new ATOM 0 HA MET A 18 57.345 2.744 9.383 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.413 0.328 8.845 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.887 0.656 7.190 1.00 0.00 H new ATOM 0 HG2 MET A 18 59.098 0.312 7.663 1.00 0.00 H new ATOM 0 HG3 MET A 18 59.044 1.403 9.034 1.00 0.00 H new ATOM 0 HE1 MET A 18 58.385 -0.622 12.084 1.00 0.00 H new ATOM 0 HE2 MET A 18 59.236 0.755 11.343 1.00 0.00 H new ATOM 0 HE3 MET A 18 57.464 0.633 11.222 1.00 0.00 H new ATOM 267 N ILE A 19 56.929 3.116 6.142 1.00 0.00 N ATOM 268 CA ILE A 19 57.473 3.891 4.992 1.00 0.00 C ATOM 269 C ILE A 19 57.768 5.329 5.424 1.00 0.00 C ATOM 270 O ILE A 19 58.758 5.916 5.035 1.00 0.00 O ATOM 271 CB ILE A 19 56.369 3.864 3.936 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.260 2.455 3.350 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.705 4.854 2.820 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.838 2.225 2.834 1.00 0.00 C ATOM 0 H ILE A 19 56.125 2.527 5.927 1.00 0.00 H new ATOM 0 HA ILE A 19 58.406 3.472 4.614 1.00 0.00 H new ATOM 0 HB ILE A 19 55.421 4.143 4.395 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.977 2.331 2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 19 56.507 1.714 4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.917 4.834 2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.784 5.858 3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.653 4.576 2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.760 1.221 2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.131 2.332 3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.608 2.958 2.061 1.00 0.00 H new ATOM 286 N ALA A 20 56.915 5.902 6.231 1.00 0.00 N ATOM 287 CA ALA A 20 57.147 7.300 6.691 1.00 0.00 C ATOM 288 C ALA A 20 58.323 7.340 7.670 1.00 0.00 C ATOM 289 O ALA A 20 58.976 8.352 7.831 1.00 0.00 O ATOM 290 CB ALA A 20 55.852 7.709 7.391 1.00 0.00 C ATOM 0 H ALA A 20 56.068 5.462 6.591 1.00 0.00 H new ATOM 0 HA ALA A 20 57.392 7.972 5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.944 8.731 7.759 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.023 7.651 6.686 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.663 7.037 8.228 1.00 0.00 H new ATOM 296 N GLU A 21 58.597 6.245 8.325 1.00 0.00 N ATOM 297 CA GLU A 21 59.731 6.219 9.292 1.00 0.00 C ATOM 298 C GLU A 21 61.065 6.242 8.542 1.00 0.00 C ATOM 299 O GLU A 21 61.914 7.075 8.791 1.00 0.00 O ATOM 300 CB GLU A 21 59.569 4.906 10.060 1.00 0.00 C ATOM 301 CG GLU A 21 60.839 4.628 10.867 1.00 0.00 C ATOM 302 CD GLU A 21 60.460 4.276 12.307 1.00 0.00 C ATOM 303 OE1 GLU A 21 60.245 5.192 13.083 1.00 0.00 O ATOM 304 OE2 GLU A 21 60.393 3.096 12.610 1.00 0.00 O ATOM 0 H GLU A 21 58.085 5.368 8.232 1.00 0.00 H new ATOM 0 HA GLU A 21 59.726 7.082 9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.708 4.965 10.726 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.380 4.087 9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.398 3.808 10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.490 5.502 10.854 1.00 0.00 H new ATOM 311 N PHE A 22 61.255 5.336 7.621 1.00 0.00 N ATOM 312 CA PHE A 22 62.534 5.311 6.856 1.00 0.00 C ATOM 313 C PHE A 22 62.676 6.593 6.030 1.00 0.00 C ATOM 314 O PHE A 22 63.760 7.110 5.850 1.00 0.00 O ATOM 315 CB PHE A 22 62.429 4.089 5.938 1.00 0.00 C ATOM 316 CG PHE A 22 62.184 2.839 6.759 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.327 2.866 8.153 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.814 1.651 6.118 1.00 0.00 C ATOM 319 CE1 PHE A 22 62.100 1.704 8.903 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.586 0.491 6.869 1.00 0.00 C ATOM 321 CZ PHE A 22 61.730 0.518 8.261 1.00 0.00 C ATOM 0 H PHE A 22 60.581 4.614 7.366 1.00 0.00 H new ATOM 0 HA PHE A 22 63.405 5.252 7.509 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.617 4.229 5.224 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.346 3.979 5.360 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.612 3.782 8.649 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.704 1.629 5.044 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.211 1.725 9.977 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.299 -0.425 6.374 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.555 -0.377 8.839 1.00 0.00 H new ATOM 331 N LYS A 23 61.587 7.109 5.529 1.00 0.00 N ATOM 332 CA LYS A 23 61.660 8.358 4.717 1.00 0.00 C ATOM 333 C LYS A 23 62.602 9.363 5.385 1.00 0.00 C ATOM 334 O LYS A 23 63.618 9.738 4.832 1.00 0.00 O ATOM 335 CB LYS A 23 60.229 8.898 4.692 1.00 0.00 C ATOM 336 CG LYS A 23 60.006 9.696 3.405 1.00 0.00 C ATOM 337 CD LYS A 23 60.345 8.824 2.195 1.00 0.00 C ATOM 338 CE LYS A 23 59.605 9.350 0.963 1.00 0.00 C ATOM 339 NZ LYS A 23 58.903 8.163 0.401 1.00 0.00 N ATOM 0 H LYS A 23 60.651 6.721 5.646 1.00 0.00 H new ATOM 0 HA LYS A 23 62.044 8.179 3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.517 8.074 4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.053 9.532 5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 23 58.970 10.029 3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.629 10.590 3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.420 8.832 2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 23 60.062 7.789 2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 23 58.899 10.136 1.232 1.00 0.00 H new ATOM 0 HE3 LYS A 23 60.298 9.778 0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 58.662 8.342 -0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 59.524 7.331 0.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 58.032 7.986 0.942 1.00 0.00 H new ATOM 353 N ALA A 24 62.276 9.799 6.570 1.00 0.00 N ATOM 354 CA ALA A 24 63.156 10.776 7.272 1.00 0.00 C ATOM 355 C ALA A 24 64.566 10.200 7.420 1.00 0.00 C ATOM 356 O ALA A 24 65.547 10.916 7.387 1.00 0.00 O ATOM 357 CB ALA A 24 62.512 10.977 8.644 1.00 0.00 C ATOM 0 H ALA A 24 61.439 9.522 7.083 1.00 0.00 H new ATOM 0 HA ALA A 24 63.250 11.715 6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 24 63.104 11.686 9.223 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.501 11.365 8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.471 10.023 9.170 1.00 0.00 H new ATOM 363 N ALA A 25 64.675 8.910 7.583 1.00 0.00 N ATOM 364 CA ALA A 25 66.020 8.286 7.733 1.00 0.00 C ATOM 365 C ALA A 25 66.764 8.309 6.395 1.00 0.00 C ATOM 366 O ALA A 25 67.909 8.707 6.317 1.00 0.00 O ATOM 367 CB ALA A 25 65.744 6.848 8.168 1.00 0.00 C ATOM 0 H ALA A 25 63.890 8.260 7.619 1.00 0.00 H new ATOM 0 HA ALA A 25 66.644 8.816 8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.688 6.320 8.300 1.00 0.00 H new ATOM 0 HB2 ALA A 25 65.196 6.852 9.110 1.00 0.00 H new ATOM 0 HB3 ALA A 25 65.151 6.345 7.405 1.00 0.00 H new ATOM 373 N PHE A 26 66.122 7.886 5.341 1.00 0.00 N ATOM 374 CA PHE A 26 66.794 7.885 4.010 1.00 0.00 C ATOM 375 C PHE A 26 67.226 9.306 3.638 1.00 0.00 C ATOM 376 O PHE A 26 68.257 9.511 3.028 1.00 0.00 O ATOM 377 CB PHE A 26 65.737 7.372 3.033 1.00 0.00 C ATOM 378 CG PHE A 26 66.359 7.186 1.669 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.429 8.263 0.779 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.865 5.935 1.295 1.00 0.00 C ATOM 381 CE1 PHE A 26 67.006 8.091 -0.485 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.441 5.762 0.031 1.00 0.00 C ATOM 383 CZ PHE A 26 67.512 6.841 -0.859 1.00 0.00 C ATOM 0 H PHE A 26 65.162 7.541 5.343 1.00 0.00 H new ATOM 0 HA PHE A 26 67.691 7.266 3.999 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.326 6.427 3.389 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.909 8.078 2.973 1.00 0.00 H new ATOM 0 HD1 PHE A 26 66.038 9.228 1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 26 66.811 5.103 1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 26 67.061 8.923 -1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 26 67.830 4.797 -0.258 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.957 6.708 -1.834 1.00 0.00 H new ATOM 393 N ASP A 27 66.447 10.287 4.002 1.00 0.00 N ATOM 394 CA ASP A 27 66.814 11.694 3.670 1.00 0.00 C ATOM 395 C ASP A 27 68.016 12.138 4.508 1.00 0.00 C ATOM 396 O ASP A 27 68.537 13.222 4.338 1.00 0.00 O ATOM 397 CB ASP A 27 65.578 12.521 4.025 1.00 0.00 C ATOM 398 CG ASP A 27 64.698 12.685 2.784 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.859 11.906 1.860 1.00 0.00 O ATOM 400 OD2 ASP A 27 63.877 13.588 2.779 1.00 0.00 O ATOM 0 H ASP A 27 65.572 10.176 4.515 1.00 0.00 H new ATOM 0 HA ASP A 27 67.095 11.811 2.623 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.016 12.031 4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.878 13.499 4.403 1.00 0.00 H new ATOM 405 N MET A 28 68.458 11.307 5.414 1.00 0.00 N ATOM 406 CA MET A 28 69.626 11.683 6.263 1.00 0.00 C ATOM 407 C MET A 28 70.890 11.792 5.408 1.00 0.00 C ATOM 408 O MET A 28 71.905 12.297 5.846 1.00 0.00 O ATOM 409 CB MET A 28 69.761 10.545 7.277 1.00 0.00 C ATOM 410 CG MET A 28 68.549 10.546 8.210 1.00 0.00 C ATOM 411 SD MET A 28 68.678 11.935 9.363 1.00 0.00 S ATOM 412 CE MET A 28 68.799 10.959 10.882 1.00 0.00 C ATOM 0 H MET A 28 68.062 10.386 5.603 1.00 0.00 H new ATOM 0 HA MET A 28 69.488 12.649 6.749 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.834 9.589 6.759 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.678 10.665 7.854 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.630 10.625 7.630 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.499 9.606 8.760 1.00 0.00 H new ATOM 0 HE1 MET A 28 68.888 11.628 11.738 1.00 0.00 H new ATOM 0 HE2 MET A 28 67.905 10.346 10.993 1.00 0.00 H new ATOM 0 HE3 MET A 28 69.677 10.315 10.832 1.00 0.00 H new ATOM 422 N PHE A 29 70.840 11.318 4.194 1.00 0.00 N ATOM 423 CA PHE A 29 72.046 11.391 3.314 1.00 0.00 C ATOM 424 C PHE A 29 71.690 12.079 1.994 1.00 0.00 C ATOM 425 O PHE A 29 72.486 12.138 1.079 1.00 0.00 O ATOM 426 CB PHE A 29 72.465 9.935 3.064 1.00 0.00 C ATOM 427 CG PHE A 29 72.140 9.085 4.273 1.00 0.00 C ATOM 428 CD1 PHE A 29 73.067 8.960 5.314 1.00 0.00 C ATOM 429 CD2 PHE A 29 70.907 8.431 4.350 1.00 0.00 C ATOM 430 CE1 PHE A 29 72.758 8.179 6.435 1.00 0.00 C ATOM 431 CE2 PHE A 29 70.598 7.650 5.469 1.00 0.00 C ATOM 432 CZ PHE A 29 71.522 7.524 6.511 1.00 0.00 C ATOM 0 H PHE A 29 70.019 10.884 3.772 1.00 0.00 H new ATOM 0 HA PHE A 29 72.851 11.966 3.772 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.949 9.545 2.187 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.533 9.887 2.853 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.020 9.465 5.253 1.00 0.00 H new ATOM 0 HD2 PHE A 29 70.193 8.529 3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 29 73.472 8.082 7.240 1.00 0.00 H new ATOM 0 HE2 PHE A 29 69.646 7.144 5.528 1.00 0.00 H new ATOM 0 HZ PHE A 29 71.283 6.921 7.375 1.00 0.00 H new ATOM 442 N ASP A 30 70.497 12.598 1.890 1.00 0.00 N ATOM 443 CA ASP A 30 70.087 13.282 0.628 1.00 0.00 C ATOM 444 C ASP A 30 70.937 14.536 0.405 1.00 0.00 C ATOM 445 O ASP A 30 70.527 15.639 0.708 1.00 0.00 O ATOM 446 CB ASP A 30 68.621 13.657 0.841 1.00 0.00 C ATOM 447 CG ASP A 30 67.757 12.952 -0.206 1.00 0.00 C ATOM 448 OD1 ASP A 30 68.041 13.107 -1.382 1.00 0.00 O ATOM 449 OD2 ASP A 30 66.826 12.268 0.186 1.00 0.00 O ATOM 0 H ASP A 30 69.788 12.579 2.623 1.00 0.00 H new ATOM 0 HA ASP A 30 70.222 12.649 -0.249 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.303 13.370 1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.496 14.737 0.764 1.00 0.00 H new ATOM 490 N GLY A 35 65.497 12.292 -3.283 1.00 0.00 N ATOM 491 CA GLY A 35 64.891 10.985 -2.903 1.00 0.00 C ATOM 492 C GLY A 35 65.890 9.859 -3.174 1.00 0.00 C ATOM 493 O GLY A 35 65.518 8.718 -3.360 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.614 10.994 -1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 35 63.976 10.818 -3.471 1.00 0.00 H new ATOM 497 N ASP A 36 67.157 10.171 -3.197 1.00 0.00 N ATOM 498 CA ASP A 36 68.179 9.114 -3.456 1.00 0.00 C ATOM 499 C ASP A 36 69.556 9.581 -2.975 1.00 0.00 C ATOM 500 O ASP A 36 70.054 10.609 -3.390 1.00 0.00 O ATOM 501 CB ASP A 36 68.178 8.924 -4.975 1.00 0.00 C ATOM 502 CG ASP A 36 68.165 10.291 -5.663 1.00 0.00 C ATOM 503 OD1 ASP A 36 68.501 11.264 -5.010 1.00 0.00 O ATOM 504 OD2 ASP A 36 67.819 10.340 -6.831 1.00 0.00 O ATOM 0 H ASP A 36 67.529 11.109 -3.048 1.00 0.00 H new ATOM 0 HA ASP A 36 67.956 8.186 -2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.059 8.360 -5.282 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.306 8.344 -5.279 1.00 0.00 H new ATOM 509 N ILE A 37 70.173 8.833 -2.103 1.00 0.00 N ATOM 510 CA ILE A 37 71.516 9.232 -1.594 1.00 0.00 C ATOM 511 C ILE A 37 72.617 8.540 -2.405 1.00 0.00 C ATOM 512 O ILE A 37 72.347 7.756 -3.292 1.00 0.00 O ATOM 513 CB ILE A 37 71.540 8.765 -0.139 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.588 7.236 -0.095 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.279 9.254 0.573 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.347 6.760 1.339 1.00 0.00 C ATOM 0 H ILE A 37 69.805 7.962 -1.720 1.00 0.00 H new ATOM 0 HA ILE A 37 71.691 10.305 -1.679 1.00 0.00 H new ATOM 0 HB ILE A 37 72.420 9.171 0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.832 6.818 -0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.556 6.881 -0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.295 8.921 1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.242 10.343 0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.399 8.847 0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.381 5.671 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.119 7.167 1.992 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.369 7.103 1.677 1.00 0.00 H new ATOM 528 N SER A 38 73.856 8.826 -2.108 1.00 0.00 N ATOM 529 CA SER A 38 74.971 8.186 -2.864 1.00 0.00 C ATOM 530 C SER A 38 74.930 6.667 -2.687 1.00 0.00 C ATOM 531 O SER A 38 74.769 6.163 -1.592 1.00 0.00 O ATOM 532 CB SER A 38 76.247 8.763 -2.251 1.00 0.00 C ATOM 533 OG SER A 38 75.960 9.262 -0.952 1.00 0.00 O ATOM 0 H SER A 38 74.144 9.474 -1.375 1.00 0.00 H new ATOM 0 HA SER A 38 74.908 8.381 -3.935 1.00 0.00 H new ATOM 0 HB2 SER A 38 77.017 7.994 -2.196 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.638 9.561 -2.882 1.00 0.00 H new ATOM 0 HG SER A 38 76.777 9.631 -0.556 1.00 0.00 H new ATOM 539 N THR A 39 75.077 5.931 -3.756 1.00 0.00 N ATOM 540 CA THR A 39 75.048 4.444 -3.648 1.00 0.00 C ATOM 541 C THR A 39 75.997 3.978 -2.540 1.00 0.00 C ATOM 542 O THR A 39 75.786 2.955 -1.919 1.00 0.00 O ATOM 543 CB THR A 39 75.525 3.938 -5.010 1.00 0.00 C ATOM 544 OG1 THR A 39 76.579 4.767 -5.479 1.00 0.00 O ATOM 545 CG2 THR A 39 74.363 3.974 -6.005 1.00 0.00 C ATOM 0 H THR A 39 75.216 6.295 -4.699 1.00 0.00 H new ATOM 0 HA THR A 39 74.056 4.067 -3.398 1.00 0.00 H new ATOM 0 HB THR A 39 75.885 2.914 -4.912 1.00 0.00 H new ATOM 0 HG1 THR A 39 76.887 4.443 -6.351 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.704 3.613 -6.976 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.555 3.337 -5.644 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.001 4.997 -6.105 1.00 0.00 H new ATOM 553 N LYS A 40 77.039 4.722 -2.287 1.00 0.00 N ATOM 554 CA LYS A 40 77.999 4.322 -1.218 1.00 0.00 C ATOM 555 C LYS A 40 77.362 4.503 0.162 1.00 0.00 C ATOM 556 O LYS A 40 77.909 4.097 1.168 1.00 0.00 O ATOM 557 CB LYS A 40 79.191 5.266 -1.384 1.00 0.00 C ATOM 558 CG LYS A 40 79.938 4.925 -2.675 1.00 0.00 C ATOM 559 CD LYS A 40 80.877 6.075 -3.040 1.00 0.00 C ATOM 560 CE LYS A 40 81.793 5.645 -4.188 1.00 0.00 C ATOM 561 NZ LYS A 40 83.175 5.816 -3.662 1.00 0.00 N ATOM 0 H LYS A 40 77.267 5.589 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 40 78.292 3.275 -1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 40 78.848 6.300 -1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.861 5.176 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.507 4.004 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 40 79.228 4.751 -3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 40 80.299 6.952 -3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 40 81.473 6.360 -2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 40 81.606 4.611 -4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 40 81.629 6.258 -5.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 83.861 5.541 -4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 83.327 6.811 -3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 83.304 5.216 -2.823 1.00 0.00 H new ATOM 575 N GLU A 41 76.207 5.110 0.219 1.00 0.00 N ATOM 576 CA GLU A 41 75.538 5.317 1.535 1.00 0.00 C ATOM 577 C GLU A 41 74.536 4.190 1.805 1.00 0.00 C ATOM 578 O GLU A 41 74.104 3.986 2.921 1.00 0.00 O ATOM 579 CB GLU A 41 74.815 6.657 1.406 1.00 0.00 C ATOM 580 CG GLU A 41 74.474 7.189 2.800 1.00 0.00 C ATOM 581 CD GLU A 41 75.761 7.587 3.524 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.583 8.248 2.911 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.904 7.225 4.680 1.00 0.00 O ATOM 0 H GLU A 41 75.699 5.471 -0.588 1.00 0.00 H new ATOM 0 HA GLU A 41 76.248 5.314 2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 41 75.444 7.372 0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 41 73.905 6.536 0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.809 8.049 2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 41 73.943 6.427 3.372 1.00 0.00 H new ATOM 590 N LEU A 42 74.163 3.459 0.789 1.00 0.00 N ATOM 591 CA LEU A 42 73.188 2.346 0.988 1.00 0.00 C ATOM 592 C LEU A 42 73.520 1.576 2.269 1.00 0.00 C ATOM 593 O LEU A 42 72.642 1.114 2.972 1.00 0.00 O ATOM 594 CB LEU A 42 73.358 1.447 -0.238 1.00 0.00 C ATOM 595 CG LEU A 42 71.983 1.044 -0.771 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.430 2.162 -1.658 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.112 -0.240 -1.594 1.00 0.00 C ATOM 0 H LEU A 42 74.490 3.584 -0.169 1.00 0.00 H new ATOM 0 HA LEU A 42 72.164 2.706 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.920 1.971 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.932 0.559 0.026 1.00 0.00 H new ATOM 0 HG LEU A 42 71.305 0.875 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.450 1.874 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.338 3.078 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.108 2.331 -2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.132 -0.528 -1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.790 -0.070 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.506 -1.038 -0.964 1.00 0.00 H new ATOM 609 N GLY A 43 74.780 1.440 2.582 1.00 0.00 N ATOM 610 CA GLY A 43 75.166 0.704 3.819 1.00 0.00 C ATOM 611 C GLY A 43 74.746 1.517 5.045 1.00 0.00 C ATOM 612 O GLY A 43 74.313 0.975 6.043 1.00 0.00 O ATOM 0 H GLY A 43 75.558 1.807 2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.688 -0.275 3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 43 76.242 0.533 3.833 1.00 0.00 H new ATOM 616 N THR A 44 74.871 2.813 4.978 1.00 0.00 N ATOM 617 CA THR A 44 74.477 3.663 6.139 1.00 0.00 C ATOM 618 C THR A 44 72.952 3.726 6.252 1.00 0.00 C ATOM 619 O THR A 44 72.382 3.396 7.273 1.00 0.00 O ATOM 620 CB THR A 44 75.051 5.047 5.827 1.00 0.00 C ATOM 621 OG1 THR A 44 76.470 4.980 5.833 1.00 0.00 O ATOM 622 CG2 THR A 44 74.581 6.048 6.883 1.00 0.00 C ATOM 0 H THR A 44 75.229 3.322 4.170 1.00 0.00 H new ATOM 0 HA THR A 44 74.849 3.271 7.086 1.00 0.00 H new ATOM 0 HB THR A 44 74.705 5.371 4.845 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.837 5.775 5.393 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.991 7.033 6.659 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.492 6.098 6.877 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.924 5.727 7.867 1.00 0.00 H new ATOM 630 N VAL A 45 72.288 4.144 5.210 1.00 0.00 N ATOM 631 CA VAL A 45 70.801 4.224 5.257 1.00 0.00 C ATOM 632 C VAL A 45 70.221 2.915 5.799 1.00 0.00 C ATOM 633 O VAL A 45 69.314 2.914 6.607 1.00 0.00 O ATOM 634 CB VAL A 45 70.368 4.443 3.807 1.00 0.00 C ATOM 635 CG1 VAL A 45 70.844 3.269 2.950 1.00 0.00 C ATOM 636 CG2 VAL A 45 68.843 4.539 3.740 1.00 0.00 C ATOM 0 H VAL A 45 72.711 4.434 4.328 1.00 0.00 H new ATOM 0 HA VAL A 45 70.450 5.023 5.910 1.00 0.00 H new ATOM 0 HB VAL A 45 70.807 5.367 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 45 70.536 3.425 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.931 3.201 2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 45 70.405 2.344 3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.533 4.695 2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 45 68.403 3.615 4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.504 5.376 4.351 1.00 0.00 H new ATOM 646 N MET A 46 70.740 1.801 5.362 1.00 0.00 N ATOM 647 CA MET A 46 70.221 0.492 5.853 1.00 0.00 C ATOM 648 C MET A 46 70.547 0.322 7.339 1.00 0.00 C ATOM 649 O MET A 46 69.682 0.055 8.148 1.00 0.00 O ATOM 650 CB MET A 46 70.950 -0.561 5.018 1.00 0.00 C ATOM 651 CG MET A 46 70.283 -0.677 3.646 1.00 0.00 C ATOM 652 SD MET A 46 71.383 -1.564 2.514 1.00 0.00 S ATOM 653 CE MET A 46 70.447 -3.112 2.451 1.00 0.00 C ATOM 0 H MET A 46 71.501 1.740 4.686 1.00 0.00 H new ATOM 0 HA MET A 46 69.139 0.411 5.754 1.00 0.00 H new ATOM 0 HB2 MET A 46 71.998 -0.286 4.902 1.00 0.00 H new ATOM 0 HB3 MET A 46 70.927 -1.524 5.528 1.00 0.00 H new ATOM 0 HG2 MET A 46 69.333 -1.204 3.735 1.00 0.00 H new ATOM 0 HG3 MET A 46 70.061 0.315 3.252 1.00 0.00 H new ATOM 0 HE1 MET A 46 71.120 -3.935 2.211 1.00 0.00 H new ATOM 0 HE2 MET A 46 69.981 -3.295 3.419 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.675 -3.040 1.684 1.00 0.00 H new ATOM 663 N ARG A 47 71.792 0.474 7.704 1.00 0.00 N ATOM 664 CA ARG A 47 72.172 0.321 9.137 1.00 0.00 C ATOM 665 C ARG A 47 71.588 1.468 9.965 1.00 0.00 C ATOM 666 O ARG A 47 70.993 1.257 11.004 1.00 0.00 O ATOM 667 CB ARG A 47 73.700 0.375 9.150 1.00 0.00 C ATOM 668 CG ARG A 47 74.257 -1.011 9.480 1.00 0.00 C ATOM 669 CD ARG A 47 74.899 -0.986 10.869 1.00 0.00 C ATOM 670 NE ARG A 47 73.832 -1.460 11.794 1.00 0.00 N ATOM 671 CZ ARG A 47 74.112 -1.689 13.048 1.00 0.00 C ATOM 672 NH1 ARG A 47 74.723 -2.791 13.388 1.00 0.00 N ATOM 673 NH2 ARG A 47 73.781 -0.818 13.961 1.00 0.00 N ATOM 0 H ARG A 47 72.561 0.697 7.072 1.00 0.00 H new ATOM 0 HA ARG A 47 71.793 -0.606 9.567 1.00 0.00 H new ATOM 0 HB2 ARG A 47 74.071 0.706 8.180 1.00 0.00 H new ATOM 0 HB3 ARG A 47 74.043 1.101 9.887 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.458 -1.752 9.450 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.994 -1.306 8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.775 -1.634 10.911 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.232 0.018 11.132 1.00 0.00 H new ATOM 0 HE ARG A 47 72.884 -1.605 11.448 1.00 0.00 H new ATOM 0 HH11 ARG A 47 74.981 -3.472 12.674 1.00 0.00 H new ATOM 0 HH12 ARG A 47 74.942 -2.971 14.368 1.00 0.00 H new ATOM 0 HH21 ARG A 47 73.303 0.043 13.695 1.00 0.00 H new ATOM 0 HH22 ARG A 47 74.000 -0.998 14.941 1.00 0.00 H new ATOM 687 N MET A 48 71.749 2.682 9.513 1.00 0.00 N ATOM 688 CA MET A 48 71.200 3.840 10.274 1.00 0.00 C ATOM 689 C MET A 48 69.698 3.654 10.505 1.00 0.00 C ATOM 690 O MET A 48 69.105 4.296 11.349 1.00 0.00 O ATOM 691 CB MET A 48 71.461 5.056 9.385 1.00 0.00 C ATOM 692 CG MET A 48 71.183 6.337 10.174 1.00 0.00 C ATOM 693 SD MET A 48 72.661 7.383 10.169 1.00 0.00 S ATOM 694 CE MET A 48 73.673 6.351 11.258 1.00 0.00 C ATOM 0 H MET A 48 72.237 2.922 8.650 1.00 0.00 H new ATOM 0 HA MET A 48 71.661 3.947 11.256 1.00 0.00 H new ATOM 0 HB2 MET A 48 72.493 5.049 9.036 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.825 5.016 8.501 1.00 0.00 H new ATOM 0 HG2 MET A 48 70.343 6.874 9.732 1.00 0.00 H new ATOM 0 HG3 MET A 48 70.901 6.092 11.198 1.00 0.00 H new ATOM 0 HE1 MET A 48 74.501 6.941 11.652 1.00 0.00 H new ATOM 0 HE2 MET A 48 73.062 5.985 12.083 1.00 0.00 H new ATOM 0 HE3 MET A 48 74.066 5.505 10.695 1.00 0.00 H new ATOM 704 N LEU A 49 69.078 2.780 9.760 1.00 0.00 N ATOM 705 CA LEU A 49 67.614 2.554 9.935 1.00 0.00 C ATOM 706 C LEU A 49 67.362 1.569 11.081 1.00 0.00 C ATOM 707 O LEU A 49 66.319 1.583 11.705 1.00 0.00 O ATOM 708 CB LEU A 49 67.142 1.967 8.605 1.00 0.00 C ATOM 709 CG LEU A 49 66.682 3.101 7.687 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.631 2.602 6.242 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.288 3.568 8.114 1.00 0.00 C ATOM 0 H LEU A 49 69.521 2.212 9.038 1.00 0.00 H new ATOM 0 HA LEU A 49 67.081 3.471 10.186 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.950 1.407 8.134 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.325 1.266 8.773 1.00 0.00 H new ATOM 0 HG LEU A 49 67.383 3.932 7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.303 3.411 5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.623 2.269 5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.930 1.770 6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.959 4.376 7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.588 2.736 8.043 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.323 3.925 9.143 1.00 0.00 H new ATOM 723 N GLY A 50 68.309 0.717 11.368 1.00 0.00 N ATOM 724 CA GLY A 50 68.117 -0.259 12.479 1.00 0.00 C ATOM 725 C GLY A 50 68.374 -1.683 11.977 1.00 0.00 C ATOM 726 O GLY A 50 68.100 -2.648 12.663 1.00 0.00 O ATOM 0 H GLY A 50 69.204 0.655 10.883 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.795 -0.026 13.300 1.00 0.00 H new ATOM 0 HA3 GLY A 50 67.103 -0.181 12.872 1.00 0.00 H new ATOM 730 N GLN A 51 68.901 -1.827 10.791 1.00 0.00 N ATOM 731 CA GLN A 51 69.171 -3.196 10.264 1.00 0.00 C ATOM 732 C GLN A 51 70.676 -3.473 10.248 1.00 0.00 C ATOM 733 O GLN A 51 71.453 -2.772 10.865 1.00 0.00 O ATOM 734 CB GLN A 51 68.610 -3.199 8.841 1.00 0.00 C ATOM 735 CG GLN A 51 67.152 -2.733 8.860 1.00 0.00 C ATOM 736 CD GLN A 51 66.398 -3.448 9.984 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.351 -4.662 10.023 1.00 0.00 O ATOM 738 NE2 GLN A 51 65.804 -2.743 10.906 1.00 0.00 N ATOM 0 H GLN A 51 69.155 -1.061 10.167 1.00 0.00 H new ATOM 0 HA GLN A 51 68.713 -3.969 10.882 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.203 -2.543 8.205 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.676 -4.200 8.416 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.107 -1.654 9.007 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.680 -2.944 7.900 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.843 -1.724 10.874 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.300 -3.210 11.660 1.00 0.00 H new ATOM 747 N ASN A 52 71.091 -4.494 9.547 1.00 0.00 N ATOM 748 CA ASN A 52 72.544 -4.818 9.492 1.00 0.00 C ATOM 749 C ASN A 52 72.874 -5.564 8.195 1.00 0.00 C ATOM 750 O ASN A 52 72.987 -6.774 8.187 1.00 0.00 O ATOM 751 CB ASN A 52 72.794 -5.716 10.704 1.00 0.00 C ATOM 752 CG ASN A 52 74.022 -5.216 11.466 1.00 0.00 C ATOM 753 OD1 ASN A 52 74.810 -4.453 10.940 1.00 0.00 O ATOM 754 ND2 ASN A 52 74.222 -5.614 12.692 1.00 0.00 N ATOM 0 H ASN A 52 70.487 -5.117 9.011 1.00 0.00 H new ATOM 0 HA ASN A 52 73.167 -3.924 9.510 1.00 0.00 H new ATOM 0 HB2 ASN A 52 71.922 -5.714 11.358 1.00 0.00 H new ATOM 0 HB3 ASN A 52 72.948 -6.746 10.381 1.00 0.00 H new ATOM 0 HD21 ASN A 52 75.038 -5.285 13.208 1.00 0.00 H new ATOM 0 HD22 ASN A 52 73.562 -6.254 13.135 1.00 0.00 H new ATOM 761 N PRO A 53 73.016 -4.810 7.141 1.00 0.00 N ATOM 762 CA PRO A 53 73.338 -5.400 5.818 1.00 0.00 C ATOM 763 C PRO A 53 74.788 -5.893 5.792 1.00 0.00 C ATOM 764 O PRO A 53 75.707 -5.166 6.113 1.00 0.00 O ATOM 765 CB PRO A 53 73.143 -4.236 4.850 1.00 0.00 C ATOM 766 CG PRO A 53 73.334 -3.008 5.681 1.00 0.00 C ATOM 767 CD PRO A 53 72.893 -3.350 7.081 1.00 0.00 C ATOM 0 HA PRO A 53 72.719 -6.262 5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 53 73.864 -4.276 4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.150 -4.258 4.400 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.378 -2.694 5.671 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.748 -2.179 5.284 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.521 -2.865 7.828 1.00 0.00 H new ATOM 0 HD3 PRO A 53 71.869 -3.027 7.268 1.00 0.00 H new ATOM 775 N THR A 54 75.000 -7.125 5.414 1.00 0.00 N ATOM 776 CA THR A 54 76.390 -7.661 5.370 1.00 0.00 C ATOM 777 C THR A 54 77.250 -6.823 4.423 1.00 0.00 C ATOM 778 O THR A 54 76.803 -6.397 3.376 1.00 0.00 O ATOM 779 CB THR A 54 76.248 -9.090 4.843 1.00 0.00 C ATOM 780 OG1 THR A 54 75.198 -9.139 3.887 1.00 0.00 O ATOM 781 CG2 THR A 54 75.928 -10.035 6.002 1.00 0.00 C ATOM 0 H THR A 54 74.272 -7.782 5.134 1.00 0.00 H new ATOM 0 HA THR A 54 76.874 -7.633 6.346 1.00 0.00 H new ATOM 0 HB THR A 54 77.182 -9.398 4.374 1.00 0.00 H new ATOM 0 HG1 THR A 54 74.441 -9.638 4.258 1.00 0.00 H new ATOM 0 HG21 THR A 54 75.827 -11.053 5.625 1.00 0.00 H new ATOM 0 HG22 THR A 54 76.734 -9.998 6.735 1.00 0.00 H new ATOM 0 HG23 THR A 54 74.994 -9.729 6.474 1.00 0.00 H new ATOM 789 N LYS A 55 78.482 -6.585 4.779 1.00 0.00 N ATOM 790 CA LYS A 55 79.368 -5.775 3.896 1.00 0.00 C ATOM 791 C LYS A 55 79.376 -6.360 2.482 1.00 0.00 C ATOM 792 O LYS A 55 79.098 -5.678 1.516 1.00 0.00 O ATOM 793 CB LYS A 55 80.757 -5.875 4.527 1.00 0.00 C ATOM 794 CG LYS A 55 81.548 -4.601 4.222 1.00 0.00 C ATOM 795 CD LYS A 55 82.317 -4.166 5.471 1.00 0.00 C ATOM 796 CE LYS A 55 81.561 -3.032 6.168 1.00 0.00 C ATOM 797 NZ LYS A 55 81.812 -1.829 5.327 1.00 0.00 N ATOM 0 H LYS A 55 78.913 -6.916 5.642 1.00 0.00 H new ATOM 0 HA LYS A 55 79.035 -4.741 3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 55 80.670 -6.012 5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.284 -6.745 4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.240 -4.779 3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 55 80.872 -3.808 3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.435 -5.010 6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.319 -3.835 5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 55 80.495 -3.251 6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 55 81.921 -2.884 7.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 82.304 -1.107 5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 82.402 -2.092 4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 80.906 -1.446 4.990 1.00 0.00 H new ATOM 811 N GLU A 56 79.688 -7.622 2.351 1.00 0.00 N ATOM 812 CA GLU A 56 79.707 -8.244 0.998 1.00 0.00 C ATOM 813 C GLU A 56 78.412 -7.916 0.253 1.00 0.00 C ATOM 814 O GLU A 56 78.415 -7.656 -0.934 1.00 0.00 O ATOM 815 CB GLU A 56 79.816 -9.749 1.252 1.00 0.00 C ATOM 816 CG GLU A 56 81.291 -10.149 1.324 1.00 0.00 C ATOM 817 CD GLU A 56 81.999 -9.724 0.036 1.00 0.00 C ATOM 818 OE1 GLU A 56 81.467 -9.998 -1.027 1.00 0.00 O ATOM 819 OE2 GLU A 56 83.060 -9.131 0.135 1.00 0.00 O ATOM 0 H GLU A 56 79.930 -8.246 3.121 1.00 0.00 H new ATOM 0 HA GLU A 56 80.530 -7.877 0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 56 79.312 -10.009 2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.317 -10.300 0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 56 81.765 -9.677 2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 56 81.380 -11.227 1.462 1.00 0.00 H new ATOM 826 N GLU A 57 77.305 -7.919 0.944 1.00 0.00 N ATOM 827 CA GLU A 57 76.011 -7.600 0.275 1.00 0.00 C ATOM 828 C GLU A 57 76.020 -6.149 -0.212 1.00 0.00 C ATOM 829 O GLU A 57 75.800 -5.873 -1.374 1.00 0.00 O ATOM 830 CB GLU A 57 74.947 -7.798 1.356 1.00 0.00 C ATOM 831 CG GLU A 57 74.322 -9.187 1.208 1.00 0.00 C ATOM 832 CD GLU A 57 73.133 -9.111 0.249 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.099 -8.608 0.657 1.00 0.00 O ATOM 834 OE2 GLU A 57 73.277 -9.557 -0.879 1.00 0.00 O ATOM 0 H GLU A 57 77.240 -8.128 1.940 1.00 0.00 H new ATOM 0 HA GLU A 57 75.826 -8.229 -0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.394 -7.692 2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.178 -7.030 1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.062 -9.892 0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 57 73.996 -9.556 2.180 1.00 0.00 H new ATOM 841 N LEU A 58 76.279 -5.220 0.668 1.00 0.00 N ATOM 842 CA LEU A 58 76.308 -3.790 0.255 1.00 0.00 C ATOM 843 C LEU A 58 77.136 -3.632 -1.023 1.00 0.00 C ATOM 844 O LEU A 58 76.675 -3.096 -2.011 1.00 0.00 O ATOM 845 CB LEU A 58 76.970 -3.054 1.419 1.00 0.00 C ATOM 846 CG LEU A 58 76.110 -3.205 2.674 1.00 0.00 C ATOM 847 CD1 LEU A 58 76.612 -2.248 3.757 1.00 0.00 C ATOM 848 CD2 LEU A 58 74.654 -2.873 2.337 1.00 0.00 C ATOM 0 H LEU A 58 76.472 -5.391 1.655 1.00 0.00 H new ATOM 0 HA LEU A 58 75.313 -3.399 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.967 -3.457 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.092 -1.999 1.174 1.00 0.00 H new ATOM 0 HG LEU A 58 76.176 -4.231 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 58 75.998 -2.356 4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.649 -2.483 3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 58 76.547 -1.222 3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.040 -2.980 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.589 -1.847 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.294 -3.555 1.566 1.00 0.00 H new ATOM 860 N ASP A 59 78.355 -4.099 -1.011 1.00 0.00 N ATOM 861 CA ASP A 59 79.209 -3.979 -2.228 1.00 0.00 C ATOM 862 C ASP A 59 78.508 -4.630 -3.421 1.00 0.00 C ATOM 863 O ASP A 59 78.614 -4.174 -4.543 1.00 0.00 O ATOM 864 CB ASP A 59 80.497 -4.729 -1.886 1.00 0.00 C ATOM 865 CG ASP A 59 81.680 -4.065 -2.593 1.00 0.00 C ATOM 866 OD1 ASP A 59 82.225 -3.125 -2.036 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.020 -4.506 -3.678 1.00 0.00 O ATOM 0 H ASP A 59 78.796 -4.557 -0.214 1.00 0.00 H new ATOM 0 HA ASP A 59 79.405 -2.941 -2.498 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.656 -4.726 -0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.415 -5.772 -2.193 1.00 0.00 H new ATOM 872 N ALA A 60 77.787 -5.693 -3.187 1.00 0.00 N ATOM 873 CA ALA A 60 77.074 -6.372 -4.306 1.00 0.00 C ATOM 874 C ALA A 60 75.800 -5.600 -4.656 1.00 0.00 C ATOM 875 O ALA A 60 75.470 -5.418 -5.811 1.00 0.00 O ATOM 876 CB ALA A 60 76.730 -7.763 -3.773 1.00 0.00 C ATOM 0 H ALA A 60 77.661 -6.120 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 60 77.677 -6.424 -5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 60 76.201 -8.327 -4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.647 -8.287 -3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 60 76.096 -7.668 -2.892 1.00 0.00 H new ATOM 882 N ILE A 61 75.083 -5.141 -3.666 1.00 0.00 N ATOM 883 CA ILE A 61 73.834 -4.377 -3.944 1.00 0.00 C ATOM 884 C ILE A 61 74.174 -3.051 -4.628 1.00 0.00 C ATOM 885 O ILE A 61 73.616 -2.711 -5.653 1.00 0.00 O ATOM 886 CB ILE A 61 73.202 -4.130 -2.575 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.898 -5.474 -1.907 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.902 -3.344 -2.751 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.475 -5.240 -0.456 1.00 0.00 C ATOM 0 H ILE A 61 75.308 -5.262 -2.679 1.00 0.00 H new ATOM 0 HA ILE A 61 73.158 -4.916 -4.608 1.00 0.00 H new ATOM 0 HB ILE A 61 73.891 -3.560 -1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 61 72.106 -5.990 -2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.778 -6.116 -1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.449 -3.167 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.116 -2.389 -3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.213 -3.915 -3.372 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.259 -6.197 0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.281 -4.742 0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.583 -4.614 -0.433 1.00 0.00 H new ATOM 901 N ILE A 62 75.090 -2.301 -4.078 1.00 0.00 N ATOM 902 CA ILE A 62 75.461 -1.006 -4.713 1.00 0.00 C ATOM 903 C ILE A 62 75.761 -1.233 -6.196 1.00 0.00 C ATOM 904 O ILE A 62 75.067 -0.742 -7.063 1.00 0.00 O ATOM 905 CB ILE A 62 76.716 -0.538 -3.980 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.330 0.000 -2.600 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.392 0.572 -4.788 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.563 0.016 -1.694 1.00 0.00 C ATOM 0 H ILE A 62 75.595 -2.528 -3.221 1.00 0.00 H new ATOM 0 HA ILE A 62 74.662 -0.267 -4.648 1.00 0.00 H new ATOM 0 HB ILE A 62 77.404 -1.376 -3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.920 1.006 -2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.551 -0.623 -2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.288 0.908 -4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.666 0.191 -5.772 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.704 1.410 -4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.288 0.399 -0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 62 77.953 -0.997 -1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.328 0.657 -2.132 1.00 0.00 H new ATOM 920 N GLU A 63 76.785 -1.986 -6.492 1.00 0.00 N ATOM 921 CA GLU A 63 77.119 -2.254 -7.919 1.00 0.00 C ATOM 922 C GLU A 63 75.859 -2.704 -8.660 1.00 0.00 C ATOM 923 O GLU A 63 75.653 -2.379 -9.813 1.00 0.00 O ATOM 924 CB GLU A 63 78.155 -3.378 -7.879 1.00 0.00 C ATOM 925 CG GLU A 63 79.393 -2.961 -8.676 1.00 0.00 C ATOM 926 CD GLU A 63 80.262 -4.188 -8.949 1.00 0.00 C ATOM 927 OE1 GLU A 63 80.553 -4.906 -8.007 1.00 0.00 O ATOM 928 OE2 GLU A 63 80.624 -4.391 -10.097 1.00 0.00 O ATOM 0 H GLU A 63 77.403 -2.426 -5.810 1.00 0.00 H new ATOM 0 HA GLU A 63 77.503 -1.375 -8.436 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.430 -3.596 -6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.732 -4.292 -8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 63 79.094 -2.498 -9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 63 79.962 -2.216 -8.120 1.00 0.00 H new ATOM 935 N GLU A 64 75.010 -3.441 -7.998 1.00 0.00 N ATOM 936 CA GLU A 64 73.754 -3.906 -8.651 1.00 0.00 C ATOM 937 C GLU A 64 72.844 -2.703 -8.921 1.00 0.00 C ATOM 938 O GLU A 64 72.269 -2.571 -9.984 1.00 0.00 O ATOM 939 CB GLU A 64 73.121 -4.870 -7.638 1.00 0.00 C ATOM 940 CG GLU A 64 71.599 -4.903 -7.814 1.00 0.00 C ATOM 941 CD GLU A 64 71.012 -6.036 -6.971 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.633 -7.084 -6.908 1.00 0.00 O ATOM 943 OE2 GLU A 64 69.952 -5.835 -6.402 1.00 0.00 O ATOM 0 H GLU A 64 75.132 -3.742 -7.031 1.00 0.00 H new ATOM 0 HA GLU A 64 73.924 -4.394 -9.611 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.531 -5.871 -7.773 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.370 -4.557 -6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 64 71.167 -3.949 -7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.347 -5.049 -8.864 1.00 0.00 H new ATOM 950 N VAL A 65 72.715 -1.823 -7.966 1.00 0.00 N ATOM 951 CA VAL A 65 71.850 -0.626 -8.167 1.00 0.00 C ATOM 952 C VAL A 65 72.666 0.509 -8.792 1.00 0.00 C ATOM 953 O VAL A 65 72.140 1.549 -9.134 1.00 0.00 O ATOM 954 CB VAL A 65 71.378 -0.238 -6.765 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.718 -1.442 -6.092 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.578 0.215 -5.932 1.00 0.00 C ATOM 0 H VAL A 65 73.171 -1.881 -7.055 1.00 0.00 H new ATOM 0 HA VAL A 65 71.013 -0.826 -8.836 1.00 0.00 H new ATOM 0 HB VAL A 65 70.656 0.575 -6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.383 -1.162 -5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.862 -1.766 -6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.438 -2.257 -6.018 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.243 0.492 -4.932 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.299 -0.599 -5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 65 73.048 1.075 -6.409 1.00 0.00 H new ATOM 966 N ASP A 66 73.949 0.315 -8.941 1.00 0.00 N ATOM 967 CA ASP A 66 74.801 1.381 -9.543 1.00 0.00 C ATOM 968 C ASP A 66 74.842 1.229 -11.067 1.00 0.00 C ATOM 969 O ASP A 66 75.366 2.070 -11.770 1.00 0.00 O ATOM 970 CB ASP A 66 76.191 1.159 -8.946 1.00 0.00 C ATOM 971 CG ASP A 66 77.084 2.358 -9.270 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.753 3.086 -10.191 1.00 0.00 O ATOM 973 OD2 ASP A 66 78.083 2.528 -8.591 1.00 0.00 O ATOM 0 H ASP A 66 74.444 -0.535 -8.672 1.00 0.00 H new ATOM 0 HA ASP A 66 74.421 2.381 -9.334 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.118 1.028 -7.866 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.630 0.246 -9.349 1.00 0.00 H new ATOM 1030 N THR A 72 73.413 6.497 -7.638 1.00 0.00 N ATOM 1031 CA THR A 72 72.480 6.677 -6.490 1.00 0.00 C ATOM 1032 C THR A 72 71.350 5.647 -6.558 1.00 0.00 C ATOM 1033 O THR A 72 71.118 5.032 -7.580 1.00 0.00 O ATOM 1034 CB THR A 72 71.925 8.093 -6.651 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.344 8.229 -7.941 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.056 9.109 -6.489 1.00 0.00 C ATOM 0 HA THR A 72 72.976 6.539 -5.529 1.00 0.00 H new ATOM 0 HB THR A 72 71.166 8.274 -5.890 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.934 7.822 -8.610 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.658 10.117 -6.604 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.500 9.005 -5.499 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.817 8.930 -7.248 1.00 0.00 H new ATOM 1044 N ILE A 73 70.645 5.455 -5.477 1.00 0.00 N ATOM 1045 CA ILE A 73 69.530 4.464 -5.478 1.00 0.00 C ATOM 1046 C ILE A 73 68.185 5.185 -5.339 1.00 0.00 C ATOM 1047 O ILE A 73 68.083 6.207 -4.689 1.00 0.00 O ATOM 1048 CB ILE A 73 69.791 3.574 -4.263 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.623 2.600 -4.085 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.924 4.442 -3.011 1.00 0.00 C ATOM 1051 CD1 ILE A 73 68.998 1.240 -4.676 1.00 0.00 C ATOM 0 H ILE A 73 70.792 5.941 -4.593 1.00 0.00 H new ATOM 0 HA ILE A 73 69.488 3.888 -6.402 1.00 0.00 H new ATOM 0 HB ILE A 73 70.714 3.014 -4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.381 2.495 -3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 73 67.732 2.990 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.110 3.806 -2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.755 5.136 -3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.002 5.003 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.167 0.547 -4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.218 1.353 -5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 73 69.877 0.850 -4.163 1.00 0.00 H new ATOM 1063 N ASP A 74 67.152 4.663 -5.943 1.00 0.00 N ATOM 1064 CA ASP A 74 65.818 5.323 -5.842 1.00 0.00 C ATOM 1065 C ASP A 74 65.073 4.822 -4.603 1.00 0.00 C ATOM 1066 O ASP A 74 64.976 3.635 -4.363 1.00 0.00 O ATOM 1067 CB ASP A 74 65.077 4.916 -7.116 1.00 0.00 C ATOM 1068 CG ASP A 74 65.942 5.238 -8.336 1.00 0.00 C ATOM 1069 OD1 ASP A 74 65.899 6.370 -8.787 1.00 0.00 O ATOM 1070 OD2 ASP A 74 66.633 4.345 -8.800 1.00 0.00 O ATOM 0 H ASP A 74 67.173 3.810 -6.501 1.00 0.00 H new ATOM 0 HA ASP A 74 65.899 6.406 -5.747 1.00 0.00 H new ATOM 0 HB2 ASP A 74 64.847 3.851 -7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.126 5.446 -7.181 1.00 0.00 H new ATOM 1075 N PHE A 75 64.544 5.717 -3.815 1.00 0.00 N ATOM 1076 CA PHE A 75 63.805 5.288 -2.593 1.00 0.00 C ATOM 1077 C PHE A 75 62.897 4.098 -2.916 1.00 0.00 C ATOM 1078 O PHE A 75 62.979 3.057 -2.295 1.00 0.00 O ATOM 1079 CB PHE A 75 62.973 6.504 -2.184 1.00 0.00 C ATOM 1080 CG PHE A 75 62.424 6.293 -0.793 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.295 5.488 -0.601 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.045 6.901 0.304 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.787 5.291 0.688 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.537 6.704 1.594 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.408 5.899 1.785 1.00 0.00 C ATOM 0 H PHE A 75 64.591 6.725 -3.963 1.00 0.00 H new ATOM 0 HA PHE A 75 64.476 4.968 -1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.587 7.404 -2.212 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.156 6.654 -2.890 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.816 5.019 -1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.916 7.522 0.156 1.00 0.00 H new ATOM 0 HE1 PHE A 75 59.916 4.670 0.836 1.00 0.00 H new ATOM 0 HE2 PHE A 75 63.016 7.173 2.441 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.016 5.747 2.780 1.00 0.00 H new ATOM 1095 N GLU A 76 62.033 4.243 -3.883 1.00 0.00 N ATOM 1096 CA GLU A 76 61.125 3.116 -4.243 1.00 0.00 C ATOM 1097 C GLU A 76 61.941 1.850 -4.511 1.00 0.00 C ATOM 1098 O GLU A 76 61.766 0.838 -3.861 1.00 0.00 O ATOM 1099 CB GLU A 76 60.410 3.574 -5.516 1.00 0.00 C ATOM 1100 CG GLU A 76 59.136 4.335 -5.143 1.00 0.00 C ATOM 1101 CD GLU A 76 58.029 3.999 -6.143 1.00 0.00 C ATOM 1102 OE1 GLU A 76 58.357 3.666 -7.270 1.00 0.00 O ATOM 1103 OE2 GLU A 76 56.872 4.080 -5.765 1.00 0.00 O ATOM 0 H GLU A 76 61.916 5.091 -4.438 1.00 0.00 H new ATOM 0 HA GLU A 76 60.421 2.879 -3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 76 61.068 4.213 -6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.163 2.713 -6.136 1.00 0.00 H new ATOM 0 HG2 GLU A 76 58.822 4.068 -4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 76 59.327 5.408 -5.143 1.00 0.00 H new ATOM 1110 N GLU A 77 62.834 1.899 -5.462 1.00 0.00 N ATOM 1111 CA GLU A 77 63.664 0.699 -5.769 1.00 0.00 C ATOM 1112 C GLU A 77 64.554 0.356 -4.572 1.00 0.00 C ATOM 1113 O GLU A 77 65.025 -0.755 -4.435 1.00 0.00 O ATOM 1114 CB GLU A 77 64.516 1.104 -6.972 1.00 0.00 C ATOM 1115 CG GLU A 77 65.496 -0.023 -7.304 1.00 0.00 C ATOM 1116 CD GLU A 77 65.298 -0.459 -8.757 1.00 0.00 C ATOM 1117 OE1 GLU A 77 64.180 -0.794 -9.108 1.00 0.00 O ATOM 1118 OE2 GLU A 77 66.271 -0.451 -9.494 1.00 0.00 O ATOM 0 H GLU A 77 63.025 2.718 -6.040 1.00 0.00 H new ATOM 0 HA GLU A 77 63.057 -0.182 -5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 77 63.877 1.310 -7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.061 2.022 -6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.521 0.315 -7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.336 -0.868 -6.634 1.00 0.00 H new ATOM 1125 N PHE A 78 64.788 1.303 -3.705 1.00 0.00 N ATOM 1126 CA PHE A 78 65.648 1.034 -2.517 1.00 0.00 C ATOM 1127 C PHE A 78 64.884 0.193 -1.493 1.00 0.00 C ATOM 1128 O PHE A 78 65.470 -0.527 -0.707 1.00 0.00 O ATOM 1129 CB PHE A 78 65.973 2.413 -1.945 1.00 0.00 C ATOM 1130 CG PHE A 78 66.636 2.256 -0.598 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.957 1.800 -0.517 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.931 2.568 0.569 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.573 1.658 0.732 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.545 2.425 1.819 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.867 1.969 1.900 1.00 0.00 C ATOM 0 H PHE A 78 64.421 2.252 -3.768 1.00 0.00 H new ATOM 0 HA PHE A 78 66.549 0.478 -2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 78 66.631 2.955 -2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.061 3.002 -1.847 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.501 1.558 -1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.912 2.920 0.506 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.593 1.308 0.794 1.00 0.00 H new ATOM 0 HE2 PHE A 78 66.000 2.666 2.720 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.342 1.857 2.864 1.00 0.00 H new ATOM 1145 N LEU A 79 63.582 0.280 -1.493 1.00 0.00 N ATOM 1146 CA LEU A 79 62.781 -0.514 -0.518 1.00 0.00 C ATOM 1147 C LEU A 79 63.347 -1.932 -0.398 1.00 0.00 C ATOM 1148 O LEU A 79 63.616 -2.413 0.684 1.00 0.00 O ATOM 1149 CB LEU A 79 61.368 -0.549 -1.103 1.00 0.00 C ATOM 1150 CG LEU A 79 60.535 0.581 -0.497 1.00 0.00 C ATOM 1151 CD1 LEU A 79 60.570 0.482 1.028 1.00 0.00 C ATOM 1152 CD2 LEU A 79 61.113 1.928 -0.935 1.00 0.00 C ATOM 0 H LEU A 79 63.038 0.866 -2.126 1.00 0.00 H new ATOM 0 HA LEU A 79 62.799 -0.080 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.409 -0.443 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.901 -1.511 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 79 59.504 0.497 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.976 1.288 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.159 -0.478 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 79 61.600 0.566 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 79 60.521 2.735 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 79 62.144 2.011 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 79 61.087 1.999 -2.022 1.00 0.00 H new ATOM 1164 N VAL A 80 63.529 -2.602 -1.503 1.00 0.00 N ATOM 1165 CA VAL A 80 64.079 -3.987 -1.450 1.00 0.00 C ATOM 1166 C VAL A 80 65.281 -4.042 -0.504 1.00 0.00 C ATOM 1167 O VAL A 80 65.395 -4.929 0.317 1.00 0.00 O ATOM 1168 CB VAL A 80 64.509 -4.301 -2.884 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.270 -4.431 -3.771 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.398 -3.175 -3.416 1.00 0.00 C ATOM 0 H VAL A 80 63.321 -2.252 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 80 63.349 -4.706 -1.079 1.00 0.00 H new ATOM 0 HB VAL A 80 65.067 -5.237 -2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.576 -4.655 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.638 -5.236 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 80 62.712 -3.495 -3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 80 65.702 -3.403 -4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.843 -2.237 -3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.283 -3.082 -2.787 1.00 0.00 H new ATOM 1180 N MET A 81 66.177 -3.100 -0.611 1.00 0.00 N ATOM 1181 CA MET A 81 67.370 -3.097 0.282 1.00 0.00 C ATOM 1182 C MET A 81 66.934 -2.962 1.744 1.00 0.00 C ATOM 1183 O MET A 81 67.617 -3.403 2.648 1.00 0.00 O ATOM 1184 CB MET A 81 68.188 -1.881 -0.158 1.00 0.00 C ATOM 1185 CG MET A 81 69.354 -2.332 -1.046 1.00 0.00 C ATOM 1186 SD MET A 81 68.760 -3.496 -2.300 1.00 0.00 S ATOM 1187 CE MET A 81 69.018 -2.433 -3.740 1.00 0.00 C ATOM 0 H MET A 81 66.134 -2.331 -1.280 1.00 0.00 H new ATOM 0 HA MET A 81 67.947 -4.019 0.211 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.553 -1.182 -0.703 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.568 -1.352 0.716 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.811 -1.468 -1.527 1.00 0.00 H new ATOM 0 HG3 MET A 81 70.126 -2.803 -0.437 1.00 0.00 H new ATOM 0 HE1 MET A 81 69.235 -3.049 -4.613 1.00 0.00 H new ATOM 0 HE2 MET A 81 68.118 -1.846 -3.925 1.00 0.00 H new ATOM 0 HE3 MET A 81 69.856 -1.762 -3.552 1.00 0.00 H new ATOM 1197 N MET A 82 65.799 -2.363 1.983 1.00 0.00 N ATOM 1198 CA MET A 82 65.319 -2.208 3.387 1.00 0.00 C ATOM 1199 C MET A 82 64.579 -3.473 3.830 1.00 0.00 C ATOM 1200 O MET A 82 64.919 -4.092 4.819 1.00 0.00 O ATOM 1201 CB MET A 82 64.361 -1.017 3.355 1.00 0.00 C ATOM 1202 CG MET A 82 65.021 0.157 2.631 1.00 0.00 C ATOM 1203 SD MET A 82 63.778 1.427 2.287 1.00 0.00 S ATOM 1204 CE MET A 82 63.732 2.155 3.943 1.00 0.00 C ATOM 0 H MET A 82 65.184 -1.975 1.268 1.00 0.00 H new ATOM 0 HA MET A 82 66.139 -2.051 4.087 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.437 -1.295 2.849 1.00 0.00 H new ATOM 0 HB3 MET A 82 64.093 -0.726 4.371 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.821 0.572 3.243 1.00 0.00 H new ATOM 0 HG3 MET A 82 65.475 -0.184 1.701 1.00 0.00 H new ATOM 0 HE1 MET A 82 62.773 2.650 4.096 1.00 0.00 H new ATOM 0 HE2 MET A 82 63.858 1.370 4.689 1.00 0.00 H new ATOM 0 HE3 MET A 82 64.537 2.883 4.043 1.00 0.00 H new ATOM 1214 N VAL A 83 63.565 -3.862 3.102 1.00 0.00 N ATOM 1215 CA VAL A 83 62.801 -5.085 3.478 1.00 0.00 C ATOM 1216 C VAL A 83 63.697 -6.320 3.376 1.00 0.00 C ATOM 1217 O VAL A 83 63.935 -7.009 4.348 1.00 0.00 O ATOM 1218 CB VAL A 83 61.662 -5.167 2.463 1.00 0.00 C ATOM 1219 CG1 VAL A 83 60.895 -6.476 2.664 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.713 -3.984 2.665 1.00 0.00 C ATOM 0 H VAL A 83 63.234 -3.385 2.264 1.00 0.00 H new ATOM 0 HA VAL A 83 62.433 -5.043 4.503 1.00 0.00 H new ATOM 0 HB VAL A 83 62.071 -5.136 1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.082 -6.536 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 83 61.571 -7.319 2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 83 60.485 -6.506 3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 83 59.900 -4.042 1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 83 60.303 -4.015 3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 83 61.259 -3.051 2.524 1.00 0.00 H new ATOM 1230 N ARG A 84 64.195 -6.606 2.204 1.00 0.00 N ATOM 1231 CA ARG A 84 65.076 -7.798 2.041 1.00 0.00 C ATOM 1232 C ARG A 84 66.067 -7.877 3.206 1.00 0.00 C ATOM 1233 O ARG A 84 66.496 -8.944 3.598 1.00 0.00 O ATOM 1234 CB ARG A 84 65.811 -7.570 0.720 1.00 0.00 C ATOM 1235 CG ARG A 84 64.791 -7.386 -0.407 1.00 0.00 C ATOM 1236 CD ARG A 84 64.772 -8.639 -1.286 1.00 0.00 C ATOM 1237 NE ARG A 84 66.065 -8.608 -2.025 1.00 0.00 N ATOM 1238 CZ ARG A 84 66.635 -9.723 -2.389 1.00 0.00 C ATOM 1239 NH1 ARG A 84 66.958 -10.613 -1.491 1.00 0.00 N ATOM 1240 NH2 ARG A 84 66.883 -9.948 -3.650 1.00 0.00 N ATOM 0 H ARG A 84 64.031 -6.067 1.354 1.00 0.00 H new ATOM 0 HA ARG A 84 64.516 -8.733 2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.450 -6.690 0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.461 -8.418 0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 84 63.800 -7.206 0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.048 -6.512 -1.006 1.00 0.00 H new ATOM 0 HD2 ARG A 84 64.683 -9.543 -0.684 1.00 0.00 H new ATOM 0 HD3 ARG A 84 63.925 -8.628 -1.972 1.00 0.00 H new ATOM 0 HE ARG A 84 66.505 -7.715 -2.246 1.00 0.00 H new ATOM 0 HH11 ARG A 84 66.765 -10.436 -0.505 1.00 0.00 H new ATOM 0 HH12 ARG A 84 67.404 -11.485 -1.775 1.00 0.00 H new ATOM 0 HH21 ARG A 84 66.631 -9.252 -4.351 1.00 0.00 H new ATOM 0 HH22 ARG A 84 67.329 -10.820 -3.934 1.00 0.00 H new ATOM 1254 N GLN A 85 66.426 -6.755 3.766 1.00 0.00 N ATOM 1255 CA GLN A 85 67.381 -6.764 4.910 1.00 0.00 C ATOM 1256 C GLN A 85 66.614 -6.917 6.225 1.00 0.00 C ATOM 1257 O GLN A 85 67.001 -7.669 7.097 1.00 0.00 O ATOM 1258 CB GLN A 85 68.087 -5.408 4.851 1.00 0.00 C ATOM 1259 CG GLN A 85 69.145 -5.335 5.954 1.00 0.00 C ATOM 1260 CD GLN A 85 70.023 -6.587 5.903 1.00 0.00 C ATOM 1261 OE1 GLN A 85 70.439 -7.009 4.843 1.00 0.00 O ATOM 1262 NE2 GLN A 85 70.325 -7.202 7.015 1.00 0.00 N ATOM 0 H GLN A 85 66.099 -5.832 3.481 1.00 0.00 H new ATOM 0 HA GLN A 85 68.090 -7.590 4.855 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.553 -5.271 3.875 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.362 -4.603 4.974 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.758 -4.443 5.826 1.00 0.00 H new ATOM 0 HG3 GLN A 85 68.664 -5.255 6.929 1.00 0.00 H new ATOM 0 HE21 GLN A 85 69.975 -6.847 7.905 1.00 0.00 H new ATOM 0 HE22 GLN A 85 70.910 -8.037 6.993 1.00 0.00 H new ATOM 1271 N MET A 86 65.526 -6.213 6.373 1.00 0.00 N ATOM 1272 CA MET A 86 64.732 -6.325 7.629 1.00 0.00 C ATOM 1273 C MET A 86 64.066 -7.700 7.702 1.00 0.00 C ATOM 1274 O MET A 86 63.705 -8.170 8.763 1.00 0.00 O ATOM 1275 CB MET A 86 63.678 -5.221 7.536 1.00 0.00 C ATOM 1276 CG MET A 86 63.945 -4.168 8.612 1.00 0.00 C ATOM 1277 SD MET A 86 62.408 -3.290 8.993 1.00 0.00 S ATOM 1278 CE MET A 86 62.625 -3.223 10.788 1.00 0.00 C ATOM 0 H MET A 86 65.152 -5.565 5.679 1.00 0.00 H new ATOM 0 HA MET A 86 65.349 -6.219 8.521 1.00 0.00 H new ATOM 0 HB2 MET A 86 63.704 -4.761 6.548 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.681 -5.643 7.665 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.337 -4.643 9.511 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.702 -3.464 8.267 1.00 0.00 H new ATOM 0 HE1 MET A 86 61.649 -3.246 11.274 1.00 0.00 H new ATOM 0 HE2 MET A 86 63.214 -4.080 11.116 1.00 0.00 H new ATOM 0 HE3 MET A 86 63.143 -2.303 11.058 1.00 0.00 H new ATOM 1288 N LYS A 87 63.904 -8.351 6.581 1.00 0.00 N ATOM 1289 CA LYS A 87 63.265 -9.698 6.590 1.00 0.00 C ATOM 1290 C LYS A 87 63.930 -10.580 7.650 1.00 0.00 C ATOM 1291 O LYS A 87 63.340 -11.516 8.153 1.00 0.00 O ATOM 1292 CB LYS A 87 63.508 -10.262 5.190 1.00 0.00 C ATOM 1293 CG LYS A 87 62.336 -9.891 4.278 1.00 0.00 C ATOM 1294 CD LYS A 87 61.441 -11.114 4.071 1.00 0.00 C ATOM 1295 CE LYS A 87 60.091 -10.882 4.753 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.145 -10.586 3.641 1.00 0.00 N ATOM 0 H LYS A 87 64.186 -8.009 5.662 1.00 0.00 H new ATOM 0 HA LYS A 87 62.202 -9.655 6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.438 -9.865 4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.617 -11.346 5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.761 -9.077 4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.708 -9.533 3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.296 -11.295 3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 87 61.920 -12.002 4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 87 59.777 -11.761 5.316 1.00 0.00 H new ATOM 0 HE3 LYS A 87 60.142 -10.053 5.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 58.368 -9.992 3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 59.648 -10.082 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 58.758 -11.476 3.268 1.00 0.00 H new ATOM 1310 N GLU A 88 65.154 -10.283 7.995 1.00 0.00 N ATOM 1311 CA GLU A 88 65.856 -11.100 9.027 1.00 0.00 C ATOM 1312 C GLU A 88 65.766 -10.414 10.391 1.00 0.00 C ATOM 1313 O GLU A 88 65.655 -11.058 11.415 1.00 0.00 O ATOM 1314 CB GLU A 88 67.309 -11.167 8.556 1.00 0.00 C ATOM 1315 CG GLU A 88 67.453 -12.261 7.497 1.00 0.00 C ATOM 1316 CD GLU A 88 68.917 -12.696 7.407 1.00 0.00 C ATOM 1317 OE1 GLU A 88 69.711 -12.201 8.190 1.00 0.00 O ATOM 1318 OE2 GLU A 88 69.219 -13.518 6.558 1.00 0.00 O ATOM 0 H GLU A 88 65.697 -9.512 7.608 1.00 0.00 H new ATOM 0 HA GLU A 88 65.418 -12.092 9.139 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.613 -10.205 8.144 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.967 -11.375 9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 88 66.824 -13.114 7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.112 -11.892 6.530 1.00 0.00 H new ATOM 1325 N ASP A 89 65.810 -9.109 10.414 1.00 0.00 N ATOM 1326 CA ASP A 89 65.724 -8.382 11.713 1.00 0.00 C ATOM 1327 C ASP A 89 64.266 -8.290 12.168 1.00 0.00 C ATOM 1328 O ASP A 89 63.976 -8.228 13.347 1.00 0.00 O ATOM 1329 CB ASP A 89 66.284 -6.989 11.426 1.00 0.00 C ATOM 1330 CG ASP A 89 66.808 -6.373 12.726 1.00 0.00 C ATOM 1331 OD1 ASP A 89 66.693 -7.019 13.754 1.00 0.00 O ATOM 1332 OD2 ASP A 89 67.316 -5.264 12.670 1.00 0.00 O ATOM 0 H ASP A 89 65.902 -8.515 9.590 1.00 0.00 H new ATOM 0 HA ASP A 89 66.275 -8.886 12.507 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.087 -7.052 10.691 1.00 0.00 H new ATOM 0 HB3 ASP A 89 65.508 -6.355 10.997 1.00 0.00 H new ATOM 1337 N ALA A 90 63.346 -8.280 11.243 1.00 0.00 N ATOM 1338 CA ALA A 90 61.907 -8.191 11.624 1.00 0.00 C ATOM 1339 C ALA A 90 61.391 -9.564 12.064 1.00 0.00 C ATOM 1340 O ALA A 90 60.605 -9.608 12.996 1.00 0.00 O ATOM 1341 CB ALA A 90 61.188 -7.729 10.356 1.00 0.00 C ATOM 1342 OXT ALA A 90 61.790 -10.546 11.462 1.00 0.00 O ATOM 0 H ALA A 90 63.528 -8.330 10.241 1.00 0.00 H new ATOM 0 HA ALA A 90 61.742 -7.508 12.457 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.120 -7.639 10.555 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.582 -6.761 10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.349 -8.457 9.561 1.00 0.00 H new