USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 HIS : no HD1:sc= 0.229 K(o=0.91,f=-12!) USER MOD Set 1.2: A 81 THR OG1 : rot -3:sc= 0.679! USER MOD Single : A 1 MET CE :methyl 137:sc= -0.183 (180deg=-0.959) USER MOD Single : A 1 MET N :NH3+ 136:sc= -6.54! (180deg=-9.02!) USER MOD Single : A 2 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.6!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.023 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.9 K(o=-0.9,f=-1.4) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= -1.34 (180deg=-1.5) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -3.46 K(o=-3.5,f=-5.5!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.303 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.713 11.030 2.190 1.00 0.00 N ATOM 2 CA MET A 1 0.824 12.119 1.699 1.00 0.00 C ATOM 3 C MET A 1 -0.415 12.205 2.596 1.00 0.00 C ATOM 4 O MET A 1 -0.329 12.068 3.800 1.00 0.00 O ATOM 5 CB MET A 1 0.397 11.820 0.261 1.00 0.00 C ATOM 6 CG MET A 1 1.632 11.786 -0.642 1.00 0.00 C ATOM 7 SD MET A 1 1.114 11.638 -2.372 1.00 0.00 S ATOM 8 CE MET A 1 0.471 13.318 -2.571 1.00 0.00 C ATOM 0 H1 MET A 1 2.055 10.470 1.383 1.00 0.00 H new ATOM 0 H2 MET A 1 2.524 11.444 2.692 1.00 0.00 H new ATOM 0 H3 MET A 1 1.182 10.414 2.838 1.00 0.00 H new ATOM 0 HA MET A 1 1.359 13.068 1.726 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.125 10.864 0.217 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.301 12.581 -0.088 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.221 12.693 -0.504 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.271 10.946 -0.370 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.793 13.719 -3.532 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.618 13.298 -2.533 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.850 13.950 -1.768 1.00 0.00 H new ATOM 20 N GLN A 2 -1.564 12.437 2.022 1.00 0.00 N ATOM 21 CA GLN A 2 -2.801 12.537 2.846 1.00 0.00 C ATOM 22 C GLN A 2 -3.031 11.222 3.597 1.00 0.00 C ATOM 23 O GLN A 2 -3.460 11.214 4.732 1.00 0.00 O ATOM 24 CB GLN A 2 -3.999 12.815 1.936 1.00 0.00 C ATOM 25 CG GLN A 2 -3.822 14.173 1.257 1.00 0.00 C ATOM 26 CD GLN A 2 -5.010 14.441 0.331 1.00 0.00 C ATOM 27 OE1 GLN A 2 -5.761 13.540 0.013 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.213 15.650 -0.117 1.00 0.00 N ATOM 0 H GLN A 2 -1.699 12.561 1.019 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.689 13.349 3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.088 12.030 1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.921 12.805 2.518 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.748 14.960 2.008 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.893 14.188 0.687 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.582 16.406 0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.002 15.839 -0.735 1.00 0.00 H new ATOM 37 N HIS A 3 -2.756 10.111 2.969 1.00 0.00 N ATOM 38 CA HIS A 3 -2.967 8.801 3.649 1.00 0.00 C ATOM 39 C HIS A 3 -1.835 7.839 3.279 1.00 0.00 C ATOM 40 O HIS A 3 -1.928 6.647 3.488 1.00 0.00 O ATOM 41 CB HIS A 3 -4.304 8.207 3.202 1.00 0.00 C ATOM 42 CG HIS A 3 -5.386 9.244 3.342 1.00 0.00 C ATOM 43 ND1 HIS A 3 -5.959 9.556 4.566 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.009 10.050 2.420 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.882 10.513 4.350 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.949 10.846 3.060 1.00 0.00 N ATOM 0 H HIS A 3 -2.395 10.054 2.017 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.975 8.952 4.729 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.238 7.873 2.167 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.545 7.331 3.805 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.800 10.062 1.361 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.491 10.955 5.124 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.563 11.540 2.633 1.00 0.00 H new ATOM 55 N ALA A 4 -0.771 8.345 2.719 1.00 0.00 N ATOM 56 CA ALA A 4 0.358 7.456 2.326 1.00 0.00 C ATOM 57 C ALA A 4 0.914 6.738 3.556 1.00 0.00 C ATOM 58 O ALA A 4 1.367 5.613 3.475 1.00 0.00 O ATOM 59 CB ALA A 4 1.466 8.290 1.683 1.00 0.00 C ATOM 0 H ALA A 4 -0.635 9.335 2.517 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.006 6.716 1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.292 7.639 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.076 8.793 0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.822 9.034 2.396 1.00 0.00 H new ATOM 65 N SER A 5 0.896 7.374 4.696 1.00 0.00 N ATOM 66 CA SER A 5 1.437 6.712 5.916 1.00 0.00 C ATOM 67 C SER A 5 0.634 5.444 6.211 1.00 0.00 C ATOM 68 O SER A 5 1.176 4.442 6.637 1.00 0.00 O ATOM 69 CB SER A 5 1.340 7.667 7.105 1.00 0.00 C ATOM 70 OG SER A 5 -0.027 7.866 7.438 1.00 0.00 O ATOM 0 H SER A 5 0.533 8.317 4.835 1.00 0.00 H new ATOM 0 HA SER A 5 2.481 6.448 5.749 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.878 7.258 7.960 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.809 8.620 6.860 1.00 0.00 H new ATOM 0 HG SER A 5 -0.092 8.477 8.202 1.00 0.00 H new ATOM 76 N VAL A 6 -0.648 5.468 5.977 1.00 0.00 N ATOM 77 CA VAL A 6 -1.470 4.253 6.233 1.00 0.00 C ATOM 78 C VAL A 6 -1.058 3.165 5.250 1.00 0.00 C ATOM 79 O VAL A 6 -0.969 2.004 5.592 1.00 0.00 O ATOM 80 CB VAL A 6 -2.950 4.577 6.040 1.00 0.00 C ATOM 81 CG1 VAL A 6 -3.771 3.287 6.130 1.00 0.00 C ATOM 82 CG2 VAL A 6 -3.409 5.549 7.127 1.00 0.00 C ATOM 0 H VAL A 6 -1.161 6.274 5.620 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.311 3.913 7.256 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.095 5.034 5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.827 3.518 5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.447 2.594 5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.624 2.830 7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.465 5.779 6.987 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.263 5.094 8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.826 6.468 7.063 1.00 0.00 H new ATOM 92 N ILE A 7 -0.802 3.532 4.027 1.00 0.00 N ATOM 93 CA ILE A 7 -0.388 2.520 3.021 1.00 0.00 C ATOM 94 C ILE A 7 0.924 1.879 3.470 1.00 0.00 C ATOM 95 O ILE A 7 1.054 0.674 3.519 1.00 0.00 O ATOM 96 CB ILE A 7 -0.191 3.206 1.670 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.515 3.829 1.226 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.264 2.179 0.632 1.00 0.00 C ATOM 99 CD1 ILE A 7 -1.292 4.658 -0.038 1.00 0.00 C ATOM 0 H ILE A 7 -0.862 4.490 3.681 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.155 1.751 2.927 1.00 0.00 H new ATOM 0 HB ILE A 7 0.568 3.982 1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.251 3.048 1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.917 4.459 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.404 2.672 -0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.206 1.732 0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.493 1.400 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.236 5.102 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.571 5.449 0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.910 4.016 -0.832 1.00 0.00 H new ATOM 111 N ALA A 8 1.894 2.681 3.809 1.00 0.00 N ATOM 112 CA ALA A 8 3.195 2.124 4.271 1.00 0.00 C ATOM 113 C ALA A 8 2.978 1.362 5.577 1.00 0.00 C ATOM 114 O ALA A 8 3.415 0.241 5.736 1.00 0.00 O ATOM 115 CB ALA A 8 4.185 3.267 4.507 1.00 0.00 C ATOM 0 H ALA A 8 1.842 3.699 3.786 1.00 0.00 H new ATOM 0 HA ALA A 8 3.595 1.450 3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.138 2.859 4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.335 3.816 3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.789 3.941 5.267 1.00 0.00 H new ATOM 121 N GLN A 9 2.301 1.969 6.511 1.00 0.00 N ATOM 122 CA GLN A 9 2.045 1.293 7.813 1.00 0.00 C ATOM 123 C GLN A 9 1.196 0.044 7.581 1.00 0.00 C ATOM 124 O GLN A 9 1.458 -1.010 8.121 1.00 0.00 O ATOM 125 CB GLN A 9 1.285 2.255 8.728 1.00 0.00 C ATOM 126 CG GLN A 9 1.079 1.613 10.100 1.00 0.00 C ATOM 127 CD GLN A 9 -0.383 1.768 10.518 1.00 0.00 C ATOM 128 OE1 GLN A 9 -0.700 2.567 11.376 1.00 0.00 O ATOM 129 NE2 GLN A 9 -1.293 1.035 9.938 1.00 0.00 N ATOM 0 H GLN A 9 1.912 2.908 6.428 1.00 0.00 H new ATOM 0 HA GLN A 9 2.991 1.008 8.273 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.841 3.187 8.832 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.321 2.506 8.286 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.349 0.557 10.064 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.731 2.084 10.836 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.025 0.365 9.218 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.273 1.132 10.205 1.00 0.00 H new ATOM 138 N PHE A 10 0.179 0.164 6.781 1.00 0.00 N ATOM 139 CA PHE A 10 -0.705 -1.001 6.501 1.00 0.00 C ATOM 140 C PHE A 10 0.054 -2.028 5.664 1.00 0.00 C ATOM 141 O PHE A 10 0.061 -3.207 5.958 1.00 0.00 O ATOM 142 CB PHE A 10 -1.934 -0.517 5.729 1.00 0.00 C ATOM 143 CG PHE A 10 -2.911 -1.653 5.556 1.00 0.00 C ATOM 144 CD1 PHE A 10 -2.895 -2.417 4.383 1.00 0.00 C ATOM 145 CD2 PHE A 10 -3.836 -1.939 6.566 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.806 -3.467 4.221 1.00 0.00 C ATOM 147 CE2 PHE A 10 -4.746 -2.989 6.404 1.00 0.00 C ATOM 148 CZ PHE A 10 -4.731 -3.753 5.231 1.00 0.00 C ATOM 0 H PHE A 10 -0.082 1.027 6.303 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.016 -1.463 7.438 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.410 0.305 6.264 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.634 -0.132 4.754 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.180 -2.196 3.604 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.847 -1.349 7.471 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.795 -4.057 3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.460 -3.210 7.184 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.434 -4.563 5.106 1.00 0.00 H new ATOM 158 N VAL A 11 0.689 -1.584 4.619 1.00 0.00 N ATOM 159 CA VAL A 11 1.447 -2.521 3.745 1.00 0.00 C ATOM 160 C VAL A 11 2.643 -3.095 4.508 1.00 0.00 C ATOM 161 O VAL A 11 2.907 -4.280 4.468 1.00 0.00 O ATOM 162 CB VAL A 11 1.949 -1.763 2.516 1.00 0.00 C ATOM 163 CG1 VAL A 11 2.794 -2.697 1.653 1.00 0.00 C ATOM 164 CG2 VAL A 11 0.752 -1.261 1.707 1.00 0.00 C ATOM 0 H VAL A 11 0.717 -0.606 4.330 1.00 0.00 H new ATOM 0 HA VAL A 11 0.793 -3.337 3.438 1.00 0.00 H new ATOM 0 HB VAL A 11 2.556 -0.915 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.152 -2.157 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.645 -3.056 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.188 -3.545 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.107 -0.720 0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.146 -2.109 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.149 -0.595 2.324 1.00 0.00 H new ATOM 174 N VAL A 12 3.368 -2.261 5.200 1.00 0.00 N ATOM 175 CA VAL A 12 4.548 -2.755 5.961 1.00 0.00 C ATOM 176 C VAL A 12 4.084 -3.714 7.057 1.00 0.00 C ATOM 177 O VAL A 12 4.732 -4.699 7.348 1.00 0.00 O ATOM 178 CB VAL A 12 5.278 -1.570 6.590 1.00 0.00 C ATOM 179 CG1 VAL A 12 6.454 -2.080 7.422 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.798 -0.647 5.486 1.00 0.00 C ATOM 0 H VAL A 12 3.194 -1.258 5.271 1.00 0.00 H new ATOM 0 HA VAL A 12 5.224 -3.280 5.286 1.00 0.00 H new ATOM 0 HB VAL A 12 4.590 -1.019 7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.976 -1.235 7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.085 -2.738 8.208 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.142 -2.631 6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.319 0.199 5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.486 -1.198 4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.960 -0.283 4.891 1.00 0.00 H new ATOM 190 N GLU A 13 2.966 -3.433 7.666 1.00 0.00 N ATOM 191 CA GLU A 13 2.458 -4.320 8.751 1.00 0.00 C ATOM 192 C GLU A 13 2.328 -5.754 8.237 1.00 0.00 C ATOM 193 O GLU A 13 2.476 -6.703 8.979 1.00 0.00 O ATOM 194 CB GLU A 13 1.091 -3.823 9.215 1.00 0.00 C ATOM 195 CG GLU A 13 0.614 -4.667 10.397 1.00 0.00 C ATOM 196 CD GLU A 13 -0.799 -4.236 10.794 1.00 0.00 C ATOM 197 OE1 GLU A 13 -1.334 -3.354 10.143 1.00 0.00 O ATOM 198 OE2 GLU A 13 -1.322 -4.797 11.743 1.00 0.00 O ATOM 0 H GLU A 13 2.380 -2.624 7.459 1.00 0.00 H new ATOM 0 HA GLU A 13 3.160 -4.301 9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.153 -2.774 9.505 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.373 -3.885 8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.622 -5.724 10.130 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.293 -4.547 11.241 1.00 0.00 H new ATOM 205 N GLU A 14 2.052 -5.923 6.975 1.00 0.00 N ATOM 206 CA GLU A 14 1.917 -7.302 6.428 1.00 0.00 C ATOM 207 C GLU A 14 3.270 -8.013 6.509 1.00 0.00 C ATOM 208 O GLU A 14 3.340 -9.217 6.650 1.00 0.00 O ATOM 209 CB GLU A 14 1.454 -7.231 4.970 1.00 0.00 C ATOM 210 CG GLU A 14 0.041 -6.649 4.911 1.00 0.00 C ATOM 211 CD GLU A 14 -0.447 -6.637 3.461 1.00 0.00 C ATOM 212 OE1 GLU A 14 -1.616 -6.359 3.253 1.00 0.00 O ATOM 213 OE2 GLU A 14 0.357 -6.907 2.584 1.00 0.00 O ATOM 0 H GLU A 14 1.914 -5.170 6.301 1.00 0.00 H new ATOM 0 HA GLU A 14 1.181 -7.857 7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.138 -6.612 4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.468 -8.226 4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.634 -7.242 5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.036 -5.637 5.316 1.00 0.00 H new ATOM 220 N PHE A 15 4.345 -7.276 6.428 1.00 0.00 N ATOM 221 CA PHE A 15 5.692 -7.910 6.508 1.00 0.00 C ATOM 222 C PHE A 15 6.680 -6.926 7.143 1.00 0.00 C ATOM 223 O PHE A 15 7.749 -6.683 6.623 1.00 0.00 O ATOM 224 CB PHE A 15 6.167 -8.282 5.098 1.00 0.00 C ATOM 225 CG PHE A 15 6.420 -7.028 4.293 1.00 0.00 C ATOM 226 CD1 PHE A 15 5.345 -6.324 3.738 1.00 0.00 C ATOM 227 CD2 PHE A 15 7.729 -6.573 4.093 1.00 0.00 C ATOM 228 CE1 PHE A 15 5.577 -5.166 2.987 1.00 0.00 C ATOM 229 CE2 PHE A 15 7.963 -5.414 3.343 1.00 0.00 C ATOM 230 CZ PHE A 15 6.886 -4.711 2.790 1.00 0.00 C ATOM 0 H PHE A 15 4.348 -6.263 6.310 1.00 0.00 H new ATOM 0 HA PHE A 15 5.636 -8.811 7.118 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.078 -8.877 5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.416 -8.897 4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.335 -6.675 3.890 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.560 -7.117 4.518 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.746 -4.624 2.560 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.973 -5.063 3.191 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.065 -3.817 2.211 1.00 0.00 H new ATOM 240 N LEU A 16 6.332 -6.351 8.265 1.00 0.00 N ATOM 241 CA LEU A 16 7.255 -5.381 8.911 1.00 0.00 C ATOM 242 C LEU A 16 8.348 -6.127 9.688 1.00 0.00 C ATOM 243 O LEU A 16 8.072 -7.080 10.389 1.00 0.00 O ATOM 244 CB LEU A 16 6.465 -4.455 9.854 1.00 0.00 C ATOM 245 CG LEU A 16 6.178 -5.131 11.200 1.00 0.00 C ATOM 246 CD1 LEU A 16 5.472 -4.133 12.120 1.00 0.00 C ATOM 247 CD2 LEU A 16 5.264 -6.342 10.988 1.00 0.00 C ATOM 0 H LEU A 16 5.453 -6.512 8.757 1.00 0.00 H new ATOM 0 HA LEU A 16 7.730 -4.775 8.140 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.029 -3.537 10.020 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.525 -4.170 9.382 1.00 0.00 H new ATOM 0 HG LEU A 16 7.117 -5.457 11.647 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.264 -4.607 13.080 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.113 -3.265 12.275 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.535 -3.816 11.662 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.063 -6.819 11.947 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.325 -6.015 10.542 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.753 -7.055 10.324 1.00 0.00 H new ATOM 259 N PRO A 17 9.579 -5.694 9.588 1.00 0.00 N ATOM 260 CA PRO A 17 10.700 -6.335 10.322 1.00 0.00 C ATOM 261 C PRO A 17 10.631 -5.995 11.814 1.00 0.00 C ATOM 262 O PRO A 17 9.573 -5.714 12.342 1.00 0.00 O ATOM 263 CB PRO A 17 11.951 -5.728 9.676 1.00 0.00 C ATOM 264 CG PRO A 17 11.512 -4.405 9.149 1.00 0.00 C ATOM 265 CD PRO A 17 10.042 -4.554 8.774 1.00 0.00 C ATOM 0 HA PRO A 17 10.683 -7.423 10.261 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.755 -5.616 10.403 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.330 -6.365 8.877 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.644 -3.626 9.899 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.106 -4.116 8.282 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.479 -3.648 8.999 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.920 -4.749 7.709 1.00 0.00 H new ATOM 273 N ASP A 18 11.738 -6.000 12.493 1.00 0.00 N ATOM 274 CA ASP A 18 11.719 -5.661 13.939 1.00 0.00 C ATOM 275 C ASP A 18 11.689 -4.138 14.084 1.00 0.00 C ATOM 276 O ASP A 18 11.924 -3.598 15.147 1.00 0.00 O ATOM 277 CB ASP A 18 12.976 -6.215 14.603 1.00 0.00 C ATOM 278 CG ASP A 18 12.925 -7.744 14.598 1.00 0.00 C ATOM 279 OD1 ASP A 18 11.869 -8.282 14.309 1.00 0.00 O ATOM 280 OD2 ASP A 18 13.944 -8.352 14.882 1.00 0.00 O ATOM 0 H ASP A 18 12.656 -6.224 12.110 1.00 0.00 H new ATOM 0 HA ASP A 18 10.840 -6.095 14.416 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.863 -5.869 14.073 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.052 -5.847 15.626 1.00 0.00 H new ATOM 285 N VAL A 19 11.412 -3.445 13.010 1.00 0.00 N ATOM 286 CA VAL A 19 11.376 -1.955 13.060 1.00 0.00 C ATOM 287 C VAL A 19 9.948 -1.457 12.825 1.00 0.00 C ATOM 288 O VAL A 19 9.248 -1.936 11.956 1.00 0.00 O ATOM 289 CB VAL A 19 12.279 -1.402 11.961 1.00 0.00 C ATOM 290 CG1 VAL A 19 12.364 0.120 12.085 1.00 0.00 C ATOM 291 CG2 VAL A 19 13.678 -2.005 12.096 1.00 0.00 C ATOM 0 H VAL A 19 11.208 -3.850 12.096 1.00 0.00 H new ATOM 0 HA VAL A 19 11.718 -1.619 14.039 1.00 0.00 H new ATOM 0 HB VAL A 19 11.865 -1.663 10.987 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.009 0.514 11.300 1.00 0.00 H new ATOM 0 HG12 VAL A 19 11.367 0.549 11.985 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.776 0.383 13.059 1.00 0.00 H new ATOM 0 HG21 VAL A 19 14.322 -1.609 11.311 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.093 -1.747 13.070 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.617 -3.089 12.004 1.00 0.00 H new ATOM 301 N ALA A 20 9.514 -0.487 13.585 1.00 0.00 N ATOM 302 CA ALA A 20 8.137 0.048 13.392 1.00 0.00 C ATOM 303 C ALA A 20 8.114 0.919 12.124 1.00 0.00 C ATOM 304 O ALA A 20 9.046 1.656 11.869 1.00 0.00 O ATOM 305 CB ALA A 20 7.754 0.905 14.601 1.00 0.00 C ATOM 0 H ALA A 20 10.053 -0.044 14.329 1.00 0.00 H new ATOM 0 HA ALA A 20 7.430 -0.775 13.290 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.747 1.298 14.464 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.785 0.295 15.504 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.457 1.733 14.698 1.00 0.00 H new ATOM 311 N PRO A 21 7.065 0.857 11.331 1.00 0.00 N ATOM 312 CA PRO A 21 6.965 1.680 10.090 1.00 0.00 C ATOM 313 C PRO A 21 7.304 3.149 10.352 1.00 0.00 C ATOM 314 O PRO A 21 7.818 3.844 9.498 1.00 0.00 O ATOM 315 CB PRO A 21 5.500 1.550 9.674 1.00 0.00 C ATOM 316 CG PRO A 21 5.014 0.278 10.282 1.00 0.00 C ATOM 317 CD PRO A 21 5.875 0.005 11.516 1.00 0.00 C ATOM 0 HA PRO A 21 7.665 1.342 9.326 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.917 2.400 10.028 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.403 1.526 8.589 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.963 0.361 10.558 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.093 -0.543 9.569 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.345 0.258 12.434 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.147 -1.048 11.585 1.00 0.00 H new ATOM 325 N ALA A 22 7.022 3.624 11.534 1.00 0.00 N ATOM 326 CA ALA A 22 7.327 5.044 11.866 1.00 0.00 C ATOM 327 C ALA A 22 8.843 5.250 11.883 1.00 0.00 C ATOM 328 O ALA A 22 9.335 6.347 11.712 1.00 0.00 O ATOM 329 CB ALA A 22 6.754 5.373 13.244 1.00 0.00 C ATOM 0 H ALA A 22 6.592 3.087 12.287 1.00 0.00 H new ATOM 0 HA ALA A 22 6.881 5.699 11.117 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.975 6.411 13.491 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.674 5.224 13.234 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.204 4.719 13.991 1.00 0.00 H new ATOM 335 N ASP A 23 9.585 4.199 12.090 1.00 0.00 N ATOM 336 CA ASP A 23 11.068 4.322 12.122 1.00 0.00 C ATOM 337 C ASP A 23 11.628 3.962 10.748 1.00 0.00 C ATOM 338 O ASP A 23 12.824 3.943 10.536 1.00 0.00 O ATOM 339 CB ASP A 23 11.639 3.371 13.175 1.00 0.00 C ATOM 340 CG ASP A 23 11.213 3.837 14.569 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.385 3.075 15.505 1.00 0.00 O ATOM 342 OD2 ASP A 23 10.723 4.950 14.675 1.00 0.00 O ATOM 0 H ASP A 23 9.226 3.256 12.239 1.00 0.00 H new ATOM 0 HA ASP A 23 11.347 5.345 12.375 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.284 2.356 12.995 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.726 3.345 13.105 1.00 0.00 H new ATOM 347 N VAL A 24 10.765 3.686 9.811 1.00 0.00 N ATOM 348 CA VAL A 24 11.230 3.335 8.443 1.00 0.00 C ATOM 349 C VAL A 24 10.964 4.522 7.523 1.00 0.00 C ATOM 350 O VAL A 24 9.922 5.144 7.584 1.00 0.00 O ATOM 351 CB VAL A 24 10.463 2.112 7.938 1.00 0.00 C ATOM 352 CG1 VAL A 24 11.008 1.696 6.571 1.00 0.00 C ATOM 353 CG2 VAL A 24 10.637 0.958 8.928 1.00 0.00 C ATOM 0 H VAL A 24 9.753 3.689 9.936 1.00 0.00 H new ATOM 0 HA VAL A 24 12.295 3.104 8.457 1.00 0.00 H new ATOM 0 HB VAL A 24 9.405 2.359 7.847 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.461 0.824 6.211 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.886 2.518 5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.066 1.449 6.661 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.091 0.086 8.569 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.695 0.712 9.018 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.249 1.253 9.903 1.00 0.00 H new ATOM 363 N ASP A 25 11.897 4.855 6.678 1.00 0.00 N ATOM 364 CA ASP A 25 11.684 6.013 5.772 1.00 0.00 C ATOM 365 C ASP A 25 10.637 5.649 4.719 1.00 0.00 C ATOM 366 O ASP A 25 10.941 5.047 3.709 1.00 0.00 O ATOM 367 CB ASP A 25 13.001 6.370 5.080 1.00 0.00 C ATOM 368 CG ASP A 25 12.824 7.661 4.279 1.00 0.00 C ATOM 369 OD1 ASP A 25 11.783 8.283 4.419 1.00 0.00 O ATOM 370 OD2 ASP A 25 13.731 8.005 3.540 1.00 0.00 O ATOM 0 H ASP A 25 12.793 4.378 6.576 1.00 0.00 H new ATOM 0 HA ASP A 25 11.336 6.868 6.351 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.791 6.495 5.821 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.308 5.559 4.420 1.00 0.00 H new ATOM 375 N VAL A 26 9.404 6.012 4.949 1.00 0.00 N ATOM 376 CA VAL A 26 8.337 5.688 3.958 1.00 0.00 C ATOM 377 C VAL A 26 8.648 6.375 2.626 1.00 0.00 C ATOM 378 O VAL A 26 7.863 6.335 1.699 1.00 0.00 O ATOM 379 CB VAL A 26 6.989 6.186 4.483 1.00 0.00 C ATOM 380 CG1 VAL A 26 6.748 5.624 5.884 1.00 0.00 C ATOM 381 CG2 VAL A 26 6.999 7.715 4.543 1.00 0.00 C ATOM 0 H VAL A 26 9.090 6.517 5.777 1.00 0.00 H new ATOM 0 HA VAL A 26 8.296 4.609 3.809 1.00 0.00 H new ATOM 0 HB VAL A 26 6.194 5.853 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.788 5.979 6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.741 4.535 5.843 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.543 5.957 6.551 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.039 8.071 4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.794 8.048 5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.171 8.117 3.545 1.00 0.00 H new ATOM 391 N ASP A 27 9.791 6.996 2.518 1.00 0.00 N ATOM 392 CA ASP A 27 10.155 7.671 1.240 1.00 0.00 C ATOM 393 C ASP A 27 10.977 6.705 0.386 1.00 0.00 C ATOM 394 O ASP A 27 11.507 7.065 -0.646 1.00 0.00 O ATOM 395 CB ASP A 27 10.985 8.923 1.540 1.00 0.00 C ATOM 396 CG ASP A 27 10.120 9.944 2.281 1.00 0.00 C ATOM 397 OD1 ASP A 27 10.679 10.889 2.812 1.00 0.00 O ATOM 398 OD2 ASP A 27 8.914 9.763 2.304 1.00 0.00 O ATOM 0 H ASP A 27 10.488 7.065 3.259 1.00 0.00 H new ATOM 0 HA ASP A 27 9.251 7.960 0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.854 8.660 2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.361 9.354 0.612 1.00 0.00 H new ATOM 403 N LEU A 28 11.083 5.478 0.817 1.00 0.00 N ATOM 404 CA LEU A 28 11.867 4.475 0.044 1.00 0.00 C ATOM 405 C LEU A 28 10.943 3.726 -0.908 1.00 0.00 C ATOM 406 O LEU A 28 9.865 3.305 -0.539 1.00 0.00 O ATOM 407 CB LEU A 28 12.513 3.480 1.010 1.00 0.00 C ATOM 408 CG LEU A 28 13.422 2.520 0.237 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.683 2.241 1.056 1.00 0.00 C ATOM 410 CD2 LEU A 28 12.682 1.200 -0.012 1.00 0.00 C ATOM 0 H LEU A 28 10.658 5.126 1.675 1.00 0.00 H new ATOM 0 HA LEU A 28 12.641 4.986 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.091 4.014 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.742 2.919 1.538 1.00 0.00 H new ATOM 0 HG LEU A 28 13.695 2.972 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.330 1.558 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.213 3.176 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.406 1.790 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.330 0.518 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.409 0.750 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.780 1.392 -0.594 1.00 0.00 H new ATOM 422 N ASP A 29 11.357 3.546 -2.129 1.00 0.00 N ATOM 423 CA ASP A 29 10.498 2.814 -3.091 1.00 0.00 C ATOM 424 C ASP A 29 10.297 1.393 -2.571 1.00 0.00 C ATOM 425 O ASP A 29 11.242 0.662 -2.355 1.00 0.00 O ATOM 426 CB ASP A 29 11.181 2.772 -4.460 1.00 0.00 C ATOM 427 CG ASP A 29 11.242 4.185 -5.044 1.00 0.00 C ATOM 428 OD1 ASP A 29 11.950 4.371 -6.020 1.00 0.00 O ATOM 429 OD2 ASP A 29 10.581 5.056 -4.505 1.00 0.00 O ATOM 0 H ASP A 29 12.249 3.873 -2.499 1.00 0.00 H new ATOM 0 HA ASP A 29 9.535 3.315 -3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.187 2.363 -4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.632 2.113 -5.132 1.00 0.00 H new ATOM 434 N LEU A 30 9.075 0.997 -2.357 1.00 0.00 N ATOM 435 CA LEU A 30 8.825 -0.373 -1.838 1.00 0.00 C ATOM 436 C LEU A 30 9.142 -1.399 -2.929 1.00 0.00 C ATOM 437 O LEU A 30 8.849 -2.571 -2.799 1.00 0.00 O ATOM 438 CB LEU A 30 7.359 -0.502 -1.409 1.00 0.00 C ATOM 439 CG LEU A 30 6.450 -0.432 -2.639 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.822 -1.805 -2.893 1.00 0.00 C ATOM 441 CD2 LEU A 30 5.340 0.592 -2.395 1.00 0.00 C ATOM 0 H LEU A 30 8.241 1.561 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 30 9.466 -0.558 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.206 -1.446 -0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.103 0.295 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 30 7.040 -0.135 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.175 -1.753 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.609 -2.539 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.234 -2.102 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.693 0.642 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.753 0.293 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.782 1.572 -2.214 1.00 0.00 H new ATOM 453 N VAL A 31 9.739 -0.966 -4.008 1.00 0.00 N ATOM 454 CA VAL A 31 10.071 -1.916 -5.106 1.00 0.00 C ATOM 455 C VAL A 31 10.844 -3.104 -4.535 1.00 0.00 C ATOM 456 O VAL A 31 10.647 -4.234 -4.935 1.00 0.00 O ATOM 457 CB VAL A 31 10.925 -1.205 -6.157 1.00 0.00 C ATOM 458 CG1 VAL A 31 12.354 -1.051 -5.636 1.00 0.00 C ATOM 459 CG2 VAL A 31 10.938 -2.029 -7.446 1.00 0.00 C ATOM 0 H VAL A 31 10.010 0.003 -4.175 1.00 0.00 H new ATOM 0 HA VAL A 31 9.151 -2.272 -5.569 1.00 0.00 H new ATOM 0 HB VAL A 31 10.505 -0.220 -6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.962 -0.544 -6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.345 -0.463 -4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.775 -2.036 -5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.546 -1.523 -8.195 1.00 0.00 H new ATOM 0 HG22 VAL A 31 11.357 -3.015 -7.244 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.919 -2.138 -7.819 1.00 0.00 H new ATOM 469 N ASP A 32 11.709 -2.863 -3.591 1.00 0.00 N ATOM 470 CA ASP A 32 12.474 -3.989 -2.988 1.00 0.00 C ATOM 471 C ASP A 32 11.472 -5.001 -2.438 1.00 0.00 C ATOM 472 O ASP A 32 11.667 -6.198 -2.508 1.00 0.00 O ATOM 473 CB ASP A 32 13.355 -3.465 -1.852 1.00 0.00 C ATOM 474 CG ASP A 32 14.450 -2.565 -2.428 1.00 0.00 C ATOM 475 OD1 ASP A 32 15.099 -1.883 -1.652 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.621 -2.573 -3.636 1.00 0.00 O ATOM 0 H ASP A 32 11.919 -1.940 -3.212 1.00 0.00 H new ATOM 0 HA ASP A 32 13.112 -4.457 -3.737 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.751 -2.908 -1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.802 -4.299 -1.310 1.00 0.00 H new ATOM 481 N ASN A 33 10.388 -4.515 -1.902 1.00 0.00 N ATOM 482 CA ASN A 33 9.341 -5.415 -1.352 1.00 0.00 C ATOM 483 C ASN A 33 8.399 -5.816 -2.483 1.00 0.00 C ATOM 484 O ASN A 33 7.312 -6.309 -2.256 1.00 0.00 O ATOM 485 CB ASN A 33 8.557 -4.683 -0.271 1.00 0.00 C ATOM 486 CG ASN A 33 9.520 -4.189 0.804 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.314 -4.947 1.326 1.00 0.00 O ATOM 488 ND2 ASN A 33 9.493 -2.935 1.147 1.00 0.00 N ATOM 0 H ASN A 33 10.182 -3.519 -1.821 1.00 0.00 H new ATOM 0 HA ASN A 33 9.802 -6.303 -0.919 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.016 -3.842 -0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.814 -5.348 0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.139 -2.586 1.855 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.826 -2.300 0.708 1.00 0.00 H new ATOM 495 N GLY A 34 8.807 -5.587 -3.702 1.00 0.00 N ATOM 496 CA GLY A 34 7.944 -5.935 -4.863 1.00 0.00 C ATOM 497 C GLY A 34 7.301 -7.301 -4.633 1.00 0.00 C ATOM 498 O GLY A 34 6.348 -7.666 -5.288 1.00 0.00 O ATOM 0 H GLY A 34 9.707 -5.171 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.173 -5.177 -4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.537 -5.950 -5.778 1.00 0.00 H new ATOM 502 N VAL A 35 7.803 -8.060 -3.701 1.00 0.00 N ATOM 503 CA VAL A 35 7.192 -9.392 -3.440 1.00 0.00 C ATOM 504 C VAL A 35 5.692 -9.202 -3.214 1.00 0.00 C ATOM 505 O VAL A 35 4.882 -10.032 -3.578 1.00 0.00 O ATOM 506 CB VAL A 35 7.822 -10.011 -2.194 1.00 0.00 C ATOM 507 CG1 VAL A 35 7.215 -9.361 -0.956 1.00 0.00 C ATOM 508 CG2 VAL A 35 7.540 -11.515 -2.172 1.00 0.00 C ATOM 0 H VAL A 35 8.602 -7.820 -3.114 1.00 0.00 H new ATOM 0 HA VAL A 35 7.362 -10.053 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 35 8.900 -9.847 -2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.659 -9.797 -0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.413 -8.289 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.138 -9.531 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.990 -11.957 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.463 -11.683 -2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.966 -11.978 -3.062 1.00 0.00 H new ATOM 518 N ILE A 36 5.323 -8.105 -2.616 1.00 0.00 N ATOM 519 CA ILE A 36 3.883 -7.825 -2.353 1.00 0.00 C ATOM 520 C ILE A 36 3.160 -7.508 -3.664 1.00 0.00 C ATOM 521 O ILE A 36 1.960 -7.643 -3.773 1.00 0.00 O ATOM 522 CB ILE A 36 3.781 -6.604 -1.443 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.408 -6.574 -0.777 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.961 -5.336 -2.278 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.205 -5.222 -0.097 1.00 0.00 C ATOM 0 H ILE A 36 5.965 -7.381 -2.294 1.00 0.00 H new ATOM 0 HA ILE A 36 3.428 -8.699 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 36 4.556 -6.657 -0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.628 -6.741 -1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.329 -7.378 -0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.889 -4.461 -1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.939 -5.352 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.183 -5.289 -3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.225 -5.198 0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.979 -5.074 0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.266 -4.428 -0.841 1.00 0.00 H new ATOM 537 N ASP A 37 3.881 -7.051 -4.644 1.00 0.00 N ATOM 538 CA ASP A 37 3.244 -6.679 -5.941 1.00 0.00 C ATOM 539 C ASP A 37 2.497 -7.864 -6.560 1.00 0.00 C ATOM 540 O ASP A 37 1.494 -7.684 -7.220 1.00 0.00 O ATOM 541 CB ASP A 37 4.317 -6.199 -6.921 1.00 0.00 C ATOM 542 CG ASP A 37 4.952 -4.911 -6.393 1.00 0.00 C ATOM 543 OD1 ASP A 37 5.997 -4.538 -6.901 1.00 0.00 O ATOM 544 OD2 ASP A 37 4.383 -4.319 -5.491 1.00 0.00 O ATOM 0 H ASP A 37 4.891 -6.917 -4.606 1.00 0.00 H new ATOM 0 HA ASP A 37 2.526 -5.883 -5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.079 -6.968 -7.047 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.876 -6.024 -7.902 1.00 0.00 H new ATOM 549 N SER A 38 2.980 -9.066 -6.389 1.00 0.00 N ATOM 550 CA SER A 38 2.283 -10.230 -7.013 1.00 0.00 C ATOM 551 C SER A 38 1.510 -11.035 -5.968 1.00 0.00 C ATOM 552 O SER A 38 0.300 -11.126 -6.013 1.00 0.00 O ATOM 553 CB SER A 38 3.317 -11.137 -7.685 1.00 0.00 C ATOM 554 OG SER A 38 3.159 -11.059 -9.109 1.00 0.00 O ATOM 0 H SER A 38 3.817 -9.292 -5.851 1.00 0.00 H new ATOM 0 HA SER A 38 1.575 -9.852 -7.750 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.324 -10.832 -7.402 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.189 -12.166 -7.349 1.00 0.00 H new ATOM 0 HG SER A 38 3.820 -11.637 -9.544 1.00 0.00 H new ATOM 559 N LEU A 39 2.198 -11.644 -5.044 1.00 0.00 N ATOM 560 CA LEU A 39 1.497 -12.467 -4.020 1.00 0.00 C ATOM 561 C LEU A 39 0.698 -11.579 -3.067 1.00 0.00 C ATOM 562 O LEU A 39 -0.450 -11.845 -2.773 1.00 0.00 O ATOM 563 CB LEU A 39 2.529 -13.272 -3.227 1.00 0.00 C ATOM 564 CG LEU A 39 1.823 -14.272 -2.308 1.00 0.00 C ATOM 565 CD1 LEU A 39 2.617 -15.579 -2.271 1.00 0.00 C ATOM 566 CD2 LEU A 39 1.738 -13.697 -0.890 1.00 0.00 C ATOM 0 H LEU A 39 3.213 -11.608 -4.953 1.00 0.00 H new ATOM 0 HA LEU A 39 0.806 -13.142 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.193 -13.801 -3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.150 -12.599 -2.636 1.00 0.00 H new ATOM 0 HG LEU A 39 0.819 -14.461 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.115 -16.291 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.682 -15.994 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.621 -15.384 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.235 -14.411 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.743 -13.507 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.175 -12.764 -0.909 1.00 0.00 H new ATOM 578 N GLY A 40 1.297 -10.536 -2.575 1.00 0.00 N ATOM 579 CA GLY A 40 0.573 -9.640 -1.630 1.00 0.00 C ATOM 580 C GLY A 40 -0.518 -8.863 -2.364 1.00 0.00 C ATOM 581 O GLY A 40 -1.604 -8.665 -1.855 1.00 0.00 O ATOM 0 H GLY A 40 2.257 -10.262 -2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.131 -10.229 -0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.274 -8.946 -1.167 1.00 0.00 H new ATOM 585 N LEU A 41 -0.239 -8.414 -3.555 1.00 0.00 N ATOM 586 CA LEU A 41 -1.260 -7.644 -4.316 1.00 0.00 C ATOM 587 C LEU A 41 -2.503 -8.506 -4.494 1.00 0.00 C ATOM 588 O LEU A 41 -3.618 -8.036 -4.392 1.00 0.00 O ATOM 589 CB LEU A 41 -0.692 -7.259 -5.684 1.00 0.00 C ATOM 590 CG LEU A 41 -1.664 -6.328 -6.415 1.00 0.00 C ATOM 591 CD1 LEU A 41 -0.871 -5.287 -7.206 1.00 0.00 C ATOM 592 CD2 LEU A 41 -2.529 -7.139 -7.385 1.00 0.00 C ATOM 0 H LEU A 41 0.652 -8.547 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.523 -6.737 -3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.272 -6.766 -5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.518 -8.155 -6.279 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.303 -5.832 -5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.561 -4.623 -7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.253 -4.704 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.233 -5.790 -7.933 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.219 -6.472 -7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.889 -7.636 -8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.095 -7.887 -6.830 1.00 0.00 H new ATOM 604 N LEU A 42 -2.323 -9.768 -4.754 1.00 0.00 N ATOM 605 CA LEU A 42 -3.504 -10.654 -4.930 1.00 0.00 C ATOM 606 C LEU A 42 -4.296 -10.679 -3.623 1.00 0.00 C ATOM 607 O LEU A 42 -5.507 -10.578 -3.614 1.00 0.00 O ATOM 608 CB LEU A 42 -3.033 -12.072 -5.273 1.00 0.00 C ATOM 609 CG LEU A 42 -4.237 -12.957 -5.596 1.00 0.00 C ATOM 610 CD1 LEU A 42 -4.661 -12.729 -7.044 1.00 0.00 C ATOM 611 CD2 LEU A 42 -3.854 -14.426 -5.404 1.00 0.00 C ATOM 0 H LEU A 42 -1.415 -10.223 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.133 -10.282 -5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.353 -12.043 -6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.476 -12.492 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.063 -12.705 -4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.519 -13.360 -7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.932 -11.682 -7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.835 -12.982 -7.709 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.711 -15.059 -5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.029 -14.677 -6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.549 -14.590 -4.371 1.00 0.00 H new ATOM 623 N LYS A 43 -3.617 -10.802 -2.515 1.00 0.00 N ATOM 624 CA LYS A 43 -4.320 -10.821 -1.205 1.00 0.00 C ATOM 625 C LYS A 43 -4.895 -9.434 -0.903 1.00 0.00 C ATOM 626 O LYS A 43 -5.988 -9.302 -0.390 1.00 0.00 O ATOM 627 CB LYS A 43 -3.328 -11.211 -0.112 1.00 0.00 C ATOM 628 CG LYS A 43 -2.848 -12.644 -0.344 1.00 0.00 C ATOM 629 CD LYS A 43 -1.943 -13.073 0.813 1.00 0.00 C ATOM 630 CE LYS A 43 -1.366 -14.460 0.524 1.00 0.00 C ATOM 631 NZ LYS A 43 -0.274 -14.755 1.495 1.00 0.00 N ATOM 0 H LYS A 43 -2.602 -10.890 -2.463 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.135 -11.544 -1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.479 -10.527 -0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.799 -11.128 0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.702 -13.317 -0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.306 -12.709 -1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.136 -12.352 0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.509 -13.090 1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.149 -15.215 0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.982 -14.501 -0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.273 -15.575 1.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.353 -13.929 1.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.685 -14.967 2.426 1.00 0.00 H new ATOM 645 N VAL A 44 -4.158 -8.400 -1.208 1.00 0.00 N ATOM 646 CA VAL A 44 -4.648 -7.019 -0.930 1.00 0.00 C ATOM 647 C VAL A 44 -5.885 -6.716 -1.775 1.00 0.00 C ATOM 648 O VAL A 44 -6.866 -6.192 -1.290 1.00 0.00 O ATOM 649 CB VAL A 44 -3.546 -6.018 -1.272 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.099 -4.597 -1.166 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.384 -6.190 -0.292 1.00 0.00 C ATOM 0 H VAL A 44 -3.235 -8.452 -1.639 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.911 -6.940 0.125 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.194 -6.194 -2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.313 -3.882 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.929 -4.476 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.450 -4.418 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.596 -5.477 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.736 -6.012 0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.991 -7.204 -0.367 1.00 0.00 H new ATOM 661 N ILE A 45 -5.845 -7.037 -3.035 1.00 0.00 N ATOM 662 CA ILE A 45 -7.016 -6.765 -3.910 1.00 0.00 C ATOM 663 C ILE A 45 -8.227 -7.549 -3.402 1.00 0.00 C ATOM 664 O ILE A 45 -9.319 -7.026 -3.297 1.00 0.00 O ATOM 665 CB ILE A 45 -6.679 -7.193 -5.340 1.00 0.00 C ATOM 666 CG1 ILE A 45 -6.163 -5.984 -6.129 1.00 0.00 C ATOM 667 CG2 ILE A 45 -7.926 -7.750 -6.024 1.00 0.00 C ATOM 668 CD1 ILE A 45 -5.068 -5.270 -5.333 1.00 0.00 C ATOM 0 H ILE A 45 -5.050 -7.477 -3.498 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.252 -5.701 -3.895 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.911 -7.965 -5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.771 -6.308 -7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.983 -5.296 -6.334 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.678 -8.053 -7.041 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.291 -8.613 -5.468 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.699 -6.982 -6.052 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.706 -4.412 -5.900 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.474 -4.930 -4.380 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.243 -5.958 -5.151 1.00 0.00 H new ATOM 680 N ALA A 46 -8.044 -8.801 -3.091 1.00 0.00 N ATOM 681 CA ALA A 46 -9.183 -9.622 -2.595 1.00 0.00 C ATOM 682 C ALA A 46 -9.679 -9.072 -1.257 1.00 0.00 C ATOM 683 O ALA A 46 -10.866 -8.996 -1.007 1.00 0.00 O ATOM 684 CB ALA A 46 -8.712 -11.064 -2.404 1.00 0.00 C ATOM 0 H ALA A 46 -7.153 -9.293 -3.159 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.997 -9.587 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.540 -11.672 -2.041 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.361 -11.461 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.899 -11.088 -1.679 1.00 0.00 H new ATOM 690 N TRP A 47 -8.780 -8.689 -0.393 1.00 0.00 N ATOM 691 CA TRP A 47 -9.198 -8.147 0.930 1.00 0.00 C ATOM 692 C TRP A 47 -9.731 -6.724 0.767 1.00 0.00 C ATOM 693 O TRP A 47 -10.706 -6.342 1.384 1.00 0.00 O ATOM 694 CB TRP A 47 -7.994 -8.142 1.874 1.00 0.00 C ATOM 695 CG TRP A 47 -8.123 -7.016 2.848 1.00 0.00 C ATOM 696 CD1 TRP A 47 -8.789 -7.074 4.023 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.581 -5.669 2.749 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.688 -5.846 4.654 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.953 -4.946 3.906 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.809 -5.012 1.776 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -7.570 -3.618 4.090 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -6.423 -3.675 1.958 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.802 -2.981 3.111 1.00 0.00 C ATOM 0 H TRP A 47 -7.772 -8.728 -0.547 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.987 -8.774 1.345 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.933 -9.091 2.406 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.072 -8.037 1.302 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -9.314 -7.937 4.406 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -9.105 -5.632 5.560 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.511 -5.539 0.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.865 -3.085 4.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.830 -3.180 1.203 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.501 -1.952 3.245 1.00 0.00 H new ATOM 714 N LEU A 48 -9.096 -5.933 -0.051 1.00 0.00 N ATOM 715 CA LEU A 48 -9.560 -4.533 -0.243 1.00 0.00 C ATOM 716 C LEU A 48 -11.013 -4.534 -0.722 1.00 0.00 C ATOM 717 O LEU A 48 -11.833 -3.773 -0.248 1.00 0.00 O ATOM 718 CB LEU A 48 -8.675 -3.855 -1.290 1.00 0.00 C ATOM 719 CG LEU A 48 -9.016 -2.373 -1.384 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.286 -1.618 -0.277 1.00 0.00 C ATOM 721 CD2 LEU A 48 -8.574 -1.837 -2.746 1.00 0.00 C ATOM 0 H LEU A 48 -8.275 -6.197 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.496 -3.991 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.625 -3.978 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.817 -4.331 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.091 -2.235 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.527 -0.557 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.598 -2.004 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.211 -1.753 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.817 -0.777 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.498 -1.971 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.092 -2.381 -3.536 1.00 0.00 H new ATOM 733 N GLU A 49 -11.342 -5.388 -1.650 1.00 0.00 N ATOM 734 CA GLU A 49 -12.746 -5.440 -2.145 1.00 0.00 C ATOM 735 C GLU A 49 -13.670 -5.874 -1.009 1.00 0.00 C ATOM 736 O GLU A 49 -14.763 -5.373 -0.860 1.00 0.00 O ATOM 737 CB GLU A 49 -12.831 -6.430 -3.319 1.00 0.00 C ATOM 738 CG GLU A 49 -14.290 -6.770 -3.634 1.00 0.00 C ATOM 739 CD GLU A 49 -14.343 -7.710 -4.840 1.00 0.00 C ATOM 740 OE1 GLU A 49 -15.440 -8.032 -5.266 1.00 0.00 O ATOM 741 OE2 GLU A 49 -13.287 -8.091 -5.316 1.00 0.00 O ATOM 0 H GLU A 49 -10.701 -6.051 -2.086 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.058 -4.454 -2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.354 -6.000 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.285 -7.341 -3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.760 -7.241 -2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.850 -5.859 -3.844 1.00 0.00 H new ATOM 748 N ASP A 50 -13.242 -6.807 -0.210 1.00 0.00 N ATOM 749 CA ASP A 50 -14.100 -7.277 0.911 1.00 0.00 C ATOM 750 C ASP A 50 -14.279 -6.174 1.960 1.00 0.00 C ATOM 751 O ASP A 50 -15.365 -5.946 2.455 1.00 0.00 O ATOM 752 CB ASP A 50 -13.437 -8.485 1.568 1.00 0.00 C ATOM 753 CG ASP A 50 -14.397 -9.108 2.584 1.00 0.00 C ATOM 754 OD1 ASP A 50 -15.528 -8.656 2.655 1.00 0.00 O ATOM 755 OD2 ASP A 50 -13.983 -10.026 3.273 1.00 0.00 O ATOM 0 H ASP A 50 -12.334 -7.266 -0.284 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.080 -7.545 0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.166 -9.220 0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.514 -8.182 2.063 1.00 0.00 H new ATOM 760 N ARG A 51 -13.217 -5.513 2.325 1.00 0.00 N ATOM 761 CA ARG A 51 -13.315 -4.452 3.370 1.00 0.00 C ATOM 762 C ARG A 51 -14.071 -3.214 2.868 1.00 0.00 C ATOM 763 O ARG A 51 -14.895 -2.666 3.573 1.00 0.00 O ATOM 764 CB ARG A 51 -11.907 -4.039 3.805 1.00 0.00 C ATOM 765 CG ARG A 51 -12.006 -3.042 4.961 1.00 0.00 C ATOM 766 CD ARG A 51 -10.602 -2.644 5.421 1.00 0.00 C ATOM 767 NE ARG A 51 -10.706 -1.738 6.600 1.00 0.00 N ATOM 768 CZ ARG A 51 -9.750 -1.702 7.489 1.00 0.00 C ATOM 769 NH1 ARG A 51 -9.850 -0.905 8.519 1.00 0.00 N ATOM 770 NH2 ARG A 51 -8.696 -2.459 7.354 1.00 0.00 N ATOM 0 H ARG A 51 -12.282 -5.661 1.945 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.873 -4.865 4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.338 -4.916 4.114 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.372 -3.590 2.968 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.560 -2.158 4.645 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.559 -3.485 5.790 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.027 -3.533 5.681 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.070 -2.145 4.611 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.527 -1.144 6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.673 -0.313 8.628 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.105 -0.875 9.215 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.616 -3.083 6.551 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.952 -2.427 8.051 1.00 0.00 H new ATOM 784 N PHE A 52 -13.781 -2.740 1.683 1.00 0.00 N ATOM 785 CA PHE A 52 -14.472 -1.513 1.192 1.00 0.00 C ATOM 786 C PHE A 52 -15.557 -1.854 0.169 1.00 0.00 C ATOM 787 O PHE A 52 -16.290 -0.989 -0.271 1.00 0.00 O ATOM 788 CB PHE A 52 -13.436 -0.600 0.540 1.00 0.00 C ATOM 789 CG PHE A 52 -12.429 -0.158 1.574 1.00 0.00 C ATOM 790 CD1 PHE A 52 -12.705 0.945 2.392 1.00 0.00 C ATOM 791 CD2 PHE A 52 -11.220 -0.850 1.716 1.00 0.00 C ATOM 792 CE1 PHE A 52 -11.771 1.355 3.352 1.00 0.00 C ATOM 793 CE2 PHE A 52 -10.288 -0.440 2.675 1.00 0.00 C ATOM 794 CZ PHE A 52 -10.563 0.662 3.494 1.00 0.00 C ATOM 0 H PHE A 52 -13.101 -3.146 1.040 1.00 0.00 H new ATOM 0 HA PHE A 52 -14.949 -1.019 2.038 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.932 -1.126 -0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.927 0.269 0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -13.637 1.479 2.283 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.007 -1.700 1.085 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.983 2.206 3.983 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.355 -0.974 2.784 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.843 0.977 4.235 1.00 0.00 H new ATOM 804 N GLY A 53 -15.679 -3.090 -0.223 1.00 0.00 N ATOM 805 CA GLY A 53 -16.730 -3.434 -1.222 1.00 0.00 C ATOM 806 C GLY A 53 -16.352 -2.823 -2.573 1.00 0.00 C ATOM 807 O GLY A 53 -17.200 -2.511 -3.385 1.00 0.00 O ATOM 0 H GLY A 53 -15.105 -3.869 0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.825 -4.516 -1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.698 -3.055 -0.895 1.00 0.00 H new ATOM 811 N ILE A 54 -15.081 -2.640 -2.816 1.00 0.00 N ATOM 812 CA ILE A 54 -14.644 -2.038 -4.108 1.00 0.00 C ATOM 813 C ILE A 54 -14.220 -3.148 -5.069 1.00 0.00 C ATOM 814 O ILE A 54 -13.654 -4.142 -4.671 1.00 0.00 O ATOM 815 CB ILE A 54 -13.460 -1.107 -3.852 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.867 -0.040 -2.834 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.049 -0.429 -5.161 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.625 0.726 -2.377 1.00 0.00 C ATOM 0 H ILE A 54 -14.326 -2.882 -2.174 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.467 -1.474 -4.547 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.621 -1.684 -3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.588 0.646 -3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.356 -0.506 -1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.204 0.235 -4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.763 -1.188 -5.889 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.887 0.149 -5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.913 1.487 -1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.920 0.034 -1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.155 1.204 -3.237 1.00 0.00 H new ATOM 830 N ALA A 55 -14.492 -2.988 -6.333 1.00 0.00 N ATOM 831 CA ALA A 55 -14.112 -4.042 -7.312 1.00 0.00 C ATOM 832 C ALA A 55 -12.597 -4.238 -7.291 1.00 0.00 C ATOM 833 O ALA A 55 -11.845 -3.325 -7.013 1.00 0.00 O ATOM 834 CB ALA A 55 -14.552 -3.618 -8.716 1.00 0.00 C ATOM 0 H ALA A 55 -14.961 -2.174 -6.730 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.602 -4.978 -7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.274 -4.390 -9.433 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.633 -3.480 -8.732 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.063 -2.681 -8.983 1.00 0.00 H new ATOM 840 N ALA A 56 -12.146 -5.429 -7.572 1.00 0.00 N ATOM 841 CA ALA A 56 -10.683 -5.698 -7.557 1.00 0.00 C ATOM 842 C ALA A 56 -9.974 -4.724 -8.501 1.00 0.00 C ATOM 843 O ALA A 56 -8.845 -4.336 -8.275 1.00 0.00 O ATOM 844 CB ALA A 56 -10.428 -7.132 -8.023 1.00 0.00 C ATOM 0 H ALA A 56 -12.731 -6.230 -7.812 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.299 -5.567 -6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.357 -7.333 -8.013 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.934 -7.828 -7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.812 -7.259 -9.035 1.00 0.00 H new ATOM 850 N ASP A 57 -10.629 -4.329 -9.558 1.00 0.00 N ATOM 851 CA ASP A 57 -9.998 -3.380 -10.519 1.00 0.00 C ATOM 852 C ASP A 57 -8.654 -3.942 -10.987 1.00 0.00 C ATOM 853 O ASP A 57 -7.668 -3.236 -11.067 1.00 0.00 O ATOM 854 CB ASP A 57 -9.779 -2.029 -9.838 1.00 0.00 C ATOM 855 CG ASP A 57 -11.131 -1.407 -9.487 1.00 0.00 C ATOM 856 OD1 ASP A 57 -11.144 -0.466 -8.712 1.00 0.00 O ATOM 857 OD2 ASP A 57 -12.131 -1.883 -10.000 1.00 0.00 O ATOM 0 H ASP A 57 -11.576 -4.623 -9.798 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.654 -3.248 -11.379 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.181 -2.158 -8.936 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.221 -1.364 -10.498 1.00 0.00 H new ATOM 862 N ASP A 58 -8.608 -5.208 -11.299 1.00 0.00 N ATOM 863 CA ASP A 58 -7.330 -5.816 -11.766 1.00 0.00 C ATOM 864 C ASP A 58 -7.276 -5.777 -13.295 1.00 0.00 C ATOM 865 O ASP A 58 -6.434 -6.398 -13.913 1.00 0.00 O ATOM 866 CB ASP A 58 -7.250 -7.267 -11.284 1.00 0.00 C ATOM 867 CG ASP A 58 -8.374 -8.089 -11.920 1.00 0.00 C ATOM 868 OD1 ASP A 58 -8.594 -9.201 -11.470 1.00 0.00 O ATOM 869 OD2 ASP A 58 -8.999 -7.592 -12.843 1.00 0.00 O ATOM 0 H ASP A 58 -9.401 -5.848 -11.251 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.489 -5.254 -11.361 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.282 -7.694 -11.546 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.331 -7.304 -10.198 1.00 0.00 H new ATOM 874 N VAL A 59 -8.173 -5.056 -13.909 1.00 0.00 N ATOM 875 CA VAL A 59 -8.180 -4.982 -15.396 1.00 0.00 C ATOM 876 C VAL A 59 -6.852 -4.411 -15.897 1.00 0.00 C ATOM 877 O VAL A 59 -6.304 -4.872 -16.879 1.00 0.00 O ATOM 878 CB VAL A 59 -9.326 -4.082 -15.854 1.00 0.00 C ATOM 879 CG1 VAL A 59 -9.218 -3.843 -17.362 1.00 0.00 C ATOM 880 CG2 VAL A 59 -10.662 -4.759 -15.540 1.00 0.00 C ATOM 0 H VAL A 59 -8.902 -4.515 -13.444 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.314 -5.984 -15.804 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.269 -3.128 -15.331 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.036 -3.201 -17.688 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.267 -3.361 -17.587 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.274 -4.797 -17.887 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.481 -4.118 -15.866 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.718 -5.713 -16.063 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.740 -4.929 -14.466 1.00 0.00 H new ATOM 890 N GLU A 60 -6.335 -3.410 -15.235 1.00 0.00 N ATOM 891 CA GLU A 60 -5.043 -2.808 -15.678 1.00 0.00 C ATOM 892 C GLU A 60 -3.984 -3.012 -14.600 1.00 0.00 C ATOM 893 O GLU A 60 -4.206 -2.736 -13.437 1.00 0.00 O ATOM 894 CB GLU A 60 -5.244 -1.316 -15.922 1.00 0.00 C ATOM 895 CG GLU A 60 -6.340 -1.137 -16.959 1.00 0.00 C ATOM 896 CD GLU A 60 -6.459 0.341 -17.335 1.00 0.00 C ATOM 897 OE1 GLU A 60 -7.177 0.636 -18.277 1.00 0.00 O ATOM 898 OE2 GLU A 60 -5.832 1.153 -16.676 1.00 0.00 O ATOM 0 H GLU A 60 -6.751 -2.983 -14.407 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.713 -3.289 -16.598 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.516 -0.814 -14.993 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.316 -0.861 -16.270 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.116 -1.731 -17.845 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.289 -1.499 -16.565 1.00 0.00 H new ATOM 905 N LEU A 61 -2.836 -3.505 -14.978 1.00 0.00 N ATOM 906 CA LEU A 61 -1.758 -3.743 -13.982 1.00 0.00 C ATOM 907 C LEU A 61 -0.514 -2.948 -14.393 1.00 0.00 C ATOM 908 O LEU A 61 -0.200 -2.836 -15.562 1.00 0.00 O ATOM 909 CB LEU A 61 -1.429 -5.238 -13.952 1.00 0.00 C ATOM 910 CG LEU A 61 -2.706 -6.062 -14.155 1.00 0.00 C ATOM 911 CD1 LEU A 61 -2.363 -7.551 -14.110 1.00 0.00 C ATOM 912 CD2 LEU A 61 -3.725 -5.749 -13.054 1.00 0.00 C ATOM 0 H LEU A 61 -2.599 -3.754 -15.939 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.083 -3.422 -12.992 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.706 -5.475 -14.732 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.967 -5.498 -13.000 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.137 -5.806 -15.123 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.270 -8.138 -14.254 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.650 -7.784 -14.901 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.924 -7.794 -13.143 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.626 -6.342 -13.213 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.297 -5.993 -12.082 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.978 -4.689 -13.083 1.00 0.00 H new ATOM 924 N SER A 62 0.196 -2.391 -13.449 1.00 0.00 N ATOM 925 CA SER A 62 1.409 -1.604 -13.800 1.00 0.00 C ATOM 926 C SER A 62 2.346 -1.519 -12.582 1.00 0.00 C ATOM 927 O SER A 62 2.077 -0.785 -11.652 1.00 0.00 O ATOM 928 CB SER A 62 0.987 -0.190 -14.204 1.00 0.00 C ATOM 929 OG SER A 62 1.517 0.110 -15.489 1.00 0.00 O ATOM 0 H SER A 62 -0.012 -2.448 -12.452 1.00 0.00 H new ATOM 0 HA SER A 62 1.930 -2.091 -14.625 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.100 -0.113 -14.219 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.347 0.533 -13.472 1.00 0.00 H new ATOM 0 HG SER A 62 1.247 1.015 -15.751 1.00 0.00 H new ATOM 935 N PRO A 63 3.440 -2.249 -12.577 1.00 0.00 N ATOM 936 CA PRO A 63 4.402 -2.215 -11.438 1.00 0.00 C ATOM 937 C PRO A 63 4.874 -0.790 -11.155 1.00 0.00 C ATOM 938 O PRO A 63 5.329 -0.473 -10.074 1.00 0.00 O ATOM 939 CB PRO A 63 5.579 -3.077 -11.902 1.00 0.00 C ATOM 940 CG PRO A 63 5.065 -3.914 -13.025 1.00 0.00 C ATOM 941 CD PRO A 63 3.877 -3.173 -13.635 1.00 0.00 C ATOM 0 HA PRO A 63 3.949 -2.578 -10.515 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.412 -2.455 -12.230 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.949 -3.701 -11.089 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.842 -4.075 -13.772 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.761 -4.897 -12.664 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.165 -2.635 -14.538 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.080 -3.862 -13.915 1.00 0.00 H new ATOM 949 N GLU A 64 4.764 0.072 -12.128 1.00 0.00 N ATOM 950 CA GLU A 64 5.198 1.481 -11.935 1.00 0.00 C ATOM 951 C GLU A 64 4.355 2.129 -10.836 1.00 0.00 C ATOM 952 O GLU A 64 4.804 3.009 -10.128 1.00 0.00 O ATOM 953 CB GLU A 64 5.009 2.252 -13.240 1.00 0.00 C ATOM 954 CG GLU A 64 5.929 1.676 -14.312 1.00 0.00 C ATOM 955 CD GLU A 64 5.790 2.493 -15.598 1.00 0.00 C ATOM 956 OE1 GLU A 64 6.576 2.270 -16.505 1.00 0.00 O ATOM 957 OE2 GLU A 64 4.902 3.327 -15.654 1.00 0.00 O ATOM 0 H GLU A 64 4.390 -0.142 -13.053 1.00 0.00 H new ATOM 0 HA GLU A 64 6.249 1.502 -11.646 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.971 2.188 -13.565 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.230 3.308 -13.086 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.963 1.694 -13.967 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.675 0.633 -14.502 1.00 0.00 H new ATOM 964 N HIS A 65 3.127 1.709 -10.701 1.00 0.00 N ATOM 965 CA HIS A 65 2.235 2.303 -9.664 1.00 0.00 C ATOM 966 C HIS A 65 2.694 1.911 -8.253 1.00 0.00 C ATOM 967 O HIS A 65 2.419 2.603 -7.293 1.00 0.00 O ATOM 968 CB HIS A 65 0.806 1.803 -9.888 1.00 0.00 C ATOM 969 CG HIS A 65 -0.108 2.413 -8.862 1.00 0.00 C ATOM 970 ND1 HIS A 65 -0.470 1.744 -7.702 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.744 3.629 -8.808 1.00 0.00 C ATOM 972 CE1 HIS A 65 -1.288 2.554 -7.005 1.00 0.00 C ATOM 973 NE2 HIS A 65 -1.486 3.711 -7.636 1.00 0.00 N ATOM 0 H HIS A 65 2.700 0.976 -11.267 1.00 0.00 H new ATOM 0 HA HIS A 65 2.275 3.389 -9.750 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.471 2.067 -10.891 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.775 0.716 -9.817 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.171 0.808 -7.427 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.678 4.402 -9.560 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.729 2.298 -6.053 1.00 0.00 H new ATOM 982 N PHE A 66 3.360 0.798 -8.110 1.00 0.00 N ATOM 983 CA PHE A 66 3.793 0.365 -6.747 1.00 0.00 C ATOM 984 C PHE A 66 5.252 0.754 -6.474 1.00 0.00 C ATOM 985 O PHE A 66 5.812 0.392 -5.459 1.00 0.00 O ATOM 986 CB PHE A 66 3.643 -1.154 -6.638 1.00 0.00 C ATOM 987 CG PHE A 66 2.185 -1.522 -6.769 1.00 0.00 C ATOM 988 CD1 PHE A 66 1.351 -1.489 -5.645 1.00 0.00 C ATOM 989 CD2 PHE A 66 1.665 -1.892 -8.015 1.00 0.00 C ATOM 990 CE1 PHE A 66 -0.002 -1.826 -5.766 1.00 0.00 C ATOM 991 CE2 PHE A 66 0.312 -2.231 -8.136 1.00 0.00 C ATOM 992 CZ PHE A 66 -0.522 -2.197 -7.011 1.00 0.00 C ATOM 0 H PHE A 66 3.623 0.172 -8.871 1.00 0.00 H new ATOM 0 HA PHE A 66 3.166 0.865 -6.009 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.225 -1.645 -7.417 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.033 -1.502 -5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.752 -1.203 -4.684 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.307 -1.916 -8.883 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.645 -1.800 -4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.089 -2.519 -9.097 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.566 -2.457 -7.105 1.00 0.00 H new ATOM 1002 N ARG A 67 5.878 1.479 -7.359 1.00 0.00 N ATOM 1003 CA ARG A 67 7.300 1.868 -7.118 1.00 0.00 C ATOM 1004 C ARG A 67 7.415 2.692 -5.831 1.00 0.00 C ATOM 1005 O ARG A 67 8.369 2.562 -5.091 1.00 0.00 O ATOM 1006 CB ARG A 67 7.816 2.698 -8.295 1.00 0.00 C ATOM 1007 CG ARG A 67 7.880 1.831 -9.551 1.00 0.00 C ATOM 1008 CD ARG A 67 9.157 0.983 -9.542 1.00 0.00 C ATOM 1009 NE ARG A 67 9.320 0.323 -10.868 1.00 0.00 N ATOM 1010 CZ ARG A 67 10.506 -0.035 -11.277 1.00 0.00 C ATOM 1011 NH1 ARG A 67 10.649 -0.611 -12.440 1.00 0.00 N ATOM 1012 NH2 ARG A 67 11.551 0.181 -10.524 1.00 0.00 N ATOM 0 H ARG A 67 5.473 1.817 -8.232 1.00 0.00 H new ATOM 0 HA ARG A 67 7.897 0.961 -7.017 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.160 3.552 -8.465 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.805 3.096 -8.066 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.005 1.183 -9.600 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.860 2.462 -10.439 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.022 1.610 -9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.103 0.232 -8.754 1.00 0.00 H new ATOM 0 HE ARG A 67 8.504 0.151 -11.456 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.834 -0.781 -13.029 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.576 -0.891 -12.760 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.440 0.630 -9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.478 -0.099 -10.845 1.00 0.00 H new ATOM 1026 N SER A 68 6.462 3.545 -5.560 1.00 0.00 N ATOM 1027 CA SER A 68 6.538 4.377 -4.322 1.00 0.00 C ATOM 1028 C SER A 68 5.207 4.325 -3.570 1.00 0.00 C ATOM 1029 O SER A 68 4.145 4.325 -4.161 1.00 0.00 O ATOM 1030 CB SER A 68 6.850 5.823 -4.701 1.00 0.00 C ATOM 1031 OG SER A 68 7.015 6.595 -3.519 1.00 0.00 O ATOM 0 H SER A 68 5.637 3.701 -6.140 1.00 0.00 H new ATOM 0 HA SER A 68 7.326 3.986 -3.678 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.756 5.865 -5.305 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.043 6.234 -5.307 1.00 0.00 H new ATOM 0 HG SER A 68 7.217 7.523 -3.760 1.00 0.00 H new ATOM 1037 N ILE A 69 5.260 4.282 -2.266 1.00 0.00 N ATOM 1038 CA ILE A 69 4.013 4.233 -1.462 1.00 0.00 C ATOM 1039 C ILE A 69 3.197 5.510 -1.690 1.00 0.00 C ATOM 1040 O ILE A 69 1.983 5.482 -1.744 1.00 0.00 O ATOM 1041 CB ILE A 69 4.388 4.127 0.014 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.223 2.873 0.242 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.128 4.038 0.855 1.00 0.00 C ATOM 1044 CD1 ILE A 69 5.760 2.867 1.674 1.00 0.00 C ATOM 0 H ILE A 69 6.123 4.279 -1.722 1.00 0.00 H new ATOM 0 HA ILE A 69 3.415 3.372 -1.761 1.00 0.00 H new ATOM 0 HB ILE A 69 4.961 5.009 0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.617 1.984 0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.050 2.841 -0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.398 3.962 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.523 4.931 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.557 3.157 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.357 1.969 1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.381 3.749 1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.926 2.879 2.375 1.00 0.00 H new ATOM 1056 N ARG A 70 3.855 6.631 -1.812 1.00 0.00 N ATOM 1057 CA ARG A 70 3.121 7.912 -2.022 1.00 0.00 C ATOM 1058 C ARG A 70 2.322 7.857 -3.327 1.00 0.00 C ATOM 1059 O ARG A 70 1.228 8.377 -3.415 1.00 0.00 O ATOM 1060 CB ARG A 70 4.123 9.066 -2.090 1.00 0.00 C ATOM 1061 CG ARG A 70 4.836 9.205 -0.743 1.00 0.00 C ATOM 1062 CD ARG A 70 5.746 10.434 -0.771 1.00 0.00 C ATOM 1063 NE ARG A 70 6.704 10.316 -1.906 1.00 0.00 N ATOM 1064 CZ ARG A 70 7.638 11.214 -2.068 1.00 0.00 C ATOM 1065 NH1 ARG A 70 8.477 11.111 -3.061 1.00 0.00 N ATOM 1066 NH2 ARG A 70 7.732 12.213 -1.235 1.00 0.00 N ATOM 0 H ARG A 70 4.871 6.715 -1.775 1.00 0.00 H new ATOM 0 HA ARG A 70 2.433 8.067 -1.191 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.850 8.884 -2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.608 9.994 -2.338 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.104 9.299 0.060 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.423 8.310 -0.536 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.149 11.340 -0.878 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.289 10.519 0.170 1.00 0.00 H new ATOM 0 HE ARG A 70 6.630 9.534 -2.556 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.404 10.329 -3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.206 11.813 -3.187 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.076 12.292 -0.458 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.461 12.915 -1.361 1.00 0.00 H new ATOM 1080 N SER A 71 2.858 7.239 -4.343 1.00 0.00 N ATOM 1081 CA SER A 71 2.126 7.164 -5.636 1.00 0.00 C ATOM 1082 C SER A 71 0.777 6.474 -5.420 1.00 0.00 C ATOM 1083 O SER A 71 -0.230 6.872 -5.970 1.00 0.00 O ATOM 1084 CB SER A 71 2.955 6.363 -6.637 1.00 0.00 C ATOM 1085 OG SER A 71 4.256 6.932 -6.730 1.00 0.00 O ATOM 0 H SER A 71 3.771 6.783 -4.333 1.00 0.00 H new ATOM 0 HA SER A 71 1.959 8.170 -6.022 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.022 5.322 -6.321 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.472 6.369 -7.614 1.00 0.00 H new ATOM 0 HG SER A 71 4.792 6.420 -7.371 1.00 0.00 H new ATOM 1091 N ILE A 72 0.750 5.445 -4.619 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.525 4.733 -4.362 1.00 0.00 C ATOM 1093 C ILE A 72 -1.492 5.672 -3.640 1.00 0.00 C ATOM 1094 O ILE A 72 -2.681 5.674 -3.895 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.239 3.513 -3.487 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.787 2.617 -4.182 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.530 2.729 -3.274 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.174 1.465 -3.251 1.00 0.00 C ATOM 0 H ILE A 72 1.562 5.068 -4.131 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.973 4.413 -5.303 1.00 0.00 H new ATOM 0 HB ILE A 72 0.154 3.840 -2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.373 2.224 -5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.671 3.197 -4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.328 1.858 -2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.265 3.366 -2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.920 2.402 -4.238 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.905 0.827 -3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.606 1.867 -2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.287 0.880 -3.008 1.00 0.00 H new ATOM 1110 N ASP A 73 -0.992 6.467 -2.734 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.879 7.404 -1.988 1.00 0.00 C ATOM 1112 C ASP A 73 -2.613 8.315 -2.971 1.00 0.00 C ATOM 1113 O ASP A 73 -3.776 8.621 -2.794 1.00 0.00 O ATOM 1114 CB ASP A 73 -1.035 8.260 -1.041 1.00 0.00 C ATOM 1115 CG ASP A 73 -1.956 9.056 -0.116 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -2.206 10.212 -0.415 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -2.397 8.498 0.874 1.00 0.00 O ATOM 0 H ASP A 73 -0.006 6.508 -2.478 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.606 6.829 -1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.372 7.625 -0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.402 8.938 -1.613 1.00 0.00 H new ATOM 1122 N ALA A 74 -1.951 8.755 -4.004 1.00 0.00 N ATOM 1123 CA ALA A 74 -2.627 9.649 -4.984 1.00 0.00 C ATOM 1124 C ALA A 74 -3.766 8.891 -5.663 1.00 0.00 C ATOM 1125 O ALA A 74 -4.857 9.401 -5.822 1.00 0.00 O ATOM 1126 CB ALA A 74 -1.619 10.112 -6.038 1.00 0.00 C ATOM 0 H ALA A 74 -0.977 8.536 -4.211 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.029 10.518 -4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.116 10.766 -6.754 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.808 10.655 -5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.214 9.245 -6.559 1.00 0.00 H new ATOM 1132 N PHE A 75 -3.524 7.673 -6.059 1.00 0.00 N ATOM 1133 CA PHE A 75 -4.600 6.884 -6.718 1.00 0.00 C ATOM 1134 C PHE A 75 -5.730 6.637 -5.719 1.00 0.00 C ATOM 1135 O PHE A 75 -6.896 6.805 -6.025 1.00 0.00 O ATOM 1136 CB PHE A 75 -4.034 5.545 -7.191 1.00 0.00 C ATOM 1137 CG PHE A 75 -5.091 4.798 -7.968 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -5.892 3.847 -7.323 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -5.270 5.054 -9.332 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -6.872 3.154 -8.044 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -6.250 4.361 -10.053 1.00 0.00 C ATOM 1142 CZ PHE A 75 -7.051 3.410 -9.408 1.00 0.00 C ATOM 0 H PHE A 75 -2.631 7.191 -5.955 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.985 7.436 -7.575 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.156 5.709 -7.816 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.710 4.953 -6.335 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.754 3.648 -6.270 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.652 5.787 -9.829 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.490 2.421 -7.547 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.388 4.560 -11.106 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.807 2.874 -9.963 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.394 6.237 -4.523 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.437 5.975 -3.502 1.00 0.00 C ATOM 1154 C VAL A 76 -7.177 7.273 -3.172 1.00 0.00 C ATOM 1155 O VAL A 76 -8.384 7.295 -3.063 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.769 5.433 -2.240 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.788 5.390 -1.109 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -5.246 4.020 -2.509 1.00 0.00 C ATOM 0 H VAL A 76 -4.435 6.081 -4.212 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.151 5.247 -3.886 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.939 6.081 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.314 5.003 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.164 6.395 -0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.617 4.740 -1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.769 3.631 -1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.077 3.372 -2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.520 4.049 -3.321 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.464 8.356 -3.013 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.129 9.644 -2.690 1.00 0.00 C ATOM 1170 C VAL A 77 -8.091 10.020 -3.817 1.00 0.00 C ATOM 1171 O VAL A 77 -9.181 10.506 -3.584 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.066 10.730 -2.546 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -6.743 12.093 -2.464 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.256 10.488 -1.270 1.00 0.00 C ATOM 0 H VAL A 77 -5.448 8.401 -3.094 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.686 9.546 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.401 10.703 -3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.985 12.870 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.321 12.267 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.408 12.118 -1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.497 11.264 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.921 10.515 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.772 9.513 -1.325 1.00 0.00 H new ATOM 1184 N GLY A 78 -7.691 9.806 -5.037 1.00 0.00 N ATOM 1185 CA GLY A 78 -8.569 10.156 -6.187 1.00 0.00 C ATOM 1186 C GLY A 78 -9.903 9.413 -6.084 1.00 0.00 C ATOM 1187 O GLY A 78 -10.927 9.909 -6.511 1.00 0.00 O ATOM 0 H GLY A 78 -6.789 9.402 -5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.745 11.232 -6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.073 9.899 -7.123 1.00 0.00 H new ATOM 1191 N ALA A 79 -9.906 8.223 -5.539 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.184 7.459 -5.440 1.00 0.00 C ATOM 1193 C ALA A 79 -11.721 7.484 -4.008 1.00 0.00 C ATOM 1194 O ALA A 79 -12.880 7.766 -3.779 1.00 0.00 O ATOM 1195 CB ALA A 79 -10.940 6.009 -5.861 1.00 0.00 C ATOM 0 H ALA A 79 -9.085 7.751 -5.161 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.919 7.923 -6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.872 5.448 -5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.579 5.984 -6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.195 5.560 -5.204 1.00 0.00 H new ATOM 1201 N THR A 80 -10.894 7.188 -3.043 1.00 0.00 N ATOM 1202 CA THR A 80 -11.371 7.191 -1.629 1.00 0.00 C ATOM 1203 C THR A 80 -10.358 7.907 -0.734 1.00 0.00 C ATOM 1204 O THR A 80 -9.182 7.969 -1.031 1.00 0.00 O ATOM 1205 CB THR A 80 -11.540 5.747 -1.147 1.00 0.00 C ATOM 1206 OG1 THR A 80 -10.260 5.180 -0.902 1.00 0.00 O ATOM 1207 CG2 THR A 80 -12.267 4.929 -2.214 1.00 0.00 C ATOM 0 H THR A 80 -9.912 6.945 -3.171 1.00 0.00 H new ATOM 0 HA THR A 80 -12.326 7.713 -1.577 1.00 0.00 H new ATOM 0 HB THR A 80 -12.126 5.738 -0.228 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.365 4.256 -0.592 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.385 3.902 -1.867 1.00 0.00 H new ATOM 0 HG22 THR A 80 -13.249 5.365 -2.400 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.686 4.936 -3.136 1.00 0.00 H new ATOM 1215 N THR A 81 -10.804 8.435 0.371 1.00 0.00 N ATOM 1216 CA THR A 81 -9.870 9.130 1.295 1.00 0.00 C ATOM 1217 C THR A 81 -10.254 8.791 2.742 1.00 0.00 C ATOM 1218 O THR A 81 -11.044 9.481 3.356 1.00 0.00 O ATOM 1219 CB THR A 81 -9.971 10.641 1.068 1.00 0.00 C ATOM 1220 OG1 THR A 81 -9.020 11.307 1.887 1.00 0.00 O ATOM 1221 CG2 THR A 81 -11.380 11.119 1.423 1.00 0.00 C ATOM 0 H THR A 81 -11.778 8.414 0.674 1.00 0.00 H new ATOM 0 HA THR A 81 -8.846 8.807 1.108 1.00 0.00 H new ATOM 0 HB THR A 81 -9.768 10.866 0.021 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.548 10.650 2.441 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.451 12.195 1.261 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.107 10.608 0.792 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.587 10.895 2.469 1.00 0.00 H new