USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 922 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 55 ASN : amide:sc= 0.382 K(o=1.2,f=-7.3!) USER MOD Set 1.2: A 59 TYR OH : rot -42:sc= 0.23 USER MOD Set 1.3: A 76 LYS NZ :NH3+ 160:sc= 0.567 (180deg=0) USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 45 ASN : amide:sc= -0.888 K(o=-0.89,f=-2.3) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -148:sc= -0.0425 (180deg=-0.0578) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -85:sc= -0.626 USER MOD Single : A 68 ASN : amide:sc= -0.0722 K(o=-0.072,f=-1.8!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.135) USER MOD Single : A 86 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.63) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.137) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.0461 X(o=-0.046,f=-0.32) USER MOD Single : A 102 SER OG : rot 109:sc= 1.1 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -173:sc= -1.93 (180deg=-2.15) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.407 K(o=-0.41,f=-1.7) USER MOD Single : A 119 ASN : amide:sc= -0.0464 X(o=-0.046,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0536) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N ILE A 6 120.069 13.426 6.681 1.00 0.00 N ATOM 95 CA ILE A 6 120.201 13.371 5.189 1.00 0.00 C ATOM 96 C ILE A 6 121.470 12.591 4.823 1.00 0.00 C ATOM 97 O ILE A 6 122.536 12.860 5.348 1.00 0.00 O ATOM 98 CB ILE A 6 120.294 14.837 4.714 1.00 0.00 C ATOM 99 CG1 ILE A 6 119.087 15.673 5.191 1.00 0.00 C ATOM 100 CG2 ILE A 6 120.374 14.898 3.181 1.00 0.00 C ATOM 101 CD1 ILE A 6 117.753 15.089 4.703 1.00 0.00 C ATOM 0 HA ILE A 6 119.358 12.867 4.716 1.00 0.00 H new ATOM 0 HB ILE A 6 121.199 15.259 5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 6 119.086 15.719 6.280 1.00 0.00 H new ATOM 0 HG13 ILE A 6 119.189 16.696 4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 6 120.439 15.938 2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 6 121.258 14.358 2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 6 119.482 14.442 2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 6 116.931 15.709 5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 6 117.742 15.068 3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 6 117.637 14.075 5.087 1.00 0.00 H new ATOM 113 N ILE A 7 121.348 11.636 3.929 1.00 0.00 N ATOM 114 CA ILE A 7 122.543 10.873 3.441 1.00 0.00 C ATOM 115 C ILE A 7 122.533 10.865 1.907 1.00 0.00 C ATOM 116 O ILE A 7 121.479 10.889 1.297 1.00 0.00 O ATOM 117 CB ILE A 7 122.408 9.448 4.016 1.00 0.00 C ATOM 118 CG1 ILE A 7 122.367 9.493 5.550 1.00 0.00 C ATOM 119 CG2 ILE A 7 123.608 8.590 3.593 1.00 0.00 C ATOM 120 CD1 ILE A 7 121.897 8.141 6.094 1.00 0.00 C ATOM 0 H ILE A 7 120.462 11.350 3.513 1.00 0.00 H new ATOM 0 HA ILE A 7 123.486 11.318 3.760 1.00 0.00 H new ATOM 0 HB ILE A 7 121.484 9.016 3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 7 123.356 9.730 5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 7 121.694 10.283 5.882 1.00 0.00 H new ATOM 0 HG21 ILE A 7 123.501 7.587 4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 7 123.649 8.533 2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 7 124.527 9.040 3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 7 121.869 8.177 7.183 1.00 0.00 H new ATOM 0 HD12 ILE A 7 120.900 7.922 5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 7 122.587 7.360 5.774 1.00 0.00 H new ATOM 132 N GLU A 8 123.696 10.835 1.297 1.00 0.00 N ATOM 133 CA GLU A 8 123.789 10.825 -0.197 1.00 0.00 C ATOM 134 C GLU A 8 124.174 9.428 -0.695 1.00 0.00 C ATOM 135 O GLU A 8 125.003 8.766 -0.095 1.00 0.00 O ATOM 136 CB GLU A 8 124.888 11.835 -0.535 1.00 0.00 C ATOM 137 CG GLU A 8 124.417 13.246 -0.177 1.00 0.00 C ATOM 138 CD GLU A 8 125.484 14.262 -0.591 1.00 0.00 C ATOM 139 OE1 GLU A 8 126.487 14.353 0.099 1.00 0.00 O ATOM 140 OE2 GLU A 8 125.281 14.931 -1.590 1.00 0.00 O ATOM 0 H GLU A 8 124.595 10.817 1.779 1.00 0.00 H new ATOM 0 HA GLU A 8 122.841 11.081 -0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 8 125.798 11.594 0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 8 125.132 11.781 -1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 8 123.476 13.465 -0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 8 124.229 13.317 0.894 1.00 0.00 H new ATOM 147 N GLY A 9 123.576 8.992 -1.781 1.00 0.00 N ATOM 148 CA GLY A 9 123.896 7.649 -2.358 1.00 0.00 C ATOM 149 C GLY A 9 124.066 7.771 -3.874 1.00 0.00 C ATOM 150 O GLY A 9 123.467 8.631 -4.495 1.00 0.00 O ATOM 0 H GLY A 9 122.871 9.518 -2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 9 124.809 7.257 -1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 9 123.099 6.943 -2.127 1.00 0.00 H new ATOM 154 N GLU A 10 124.876 6.917 -4.459 1.00 0.00 N ATOM 155 CA GLU A 10 125.114 6.963 -5.935 1.00 0.00 C ATOM 156 C GLU A 10 124.389 5.805 -6.625 1.00 0.00 C ATOM 157 O GLU A 10 124.345 4.705 -6.105 1.00 0.00 O ATOM 158 CB GLU A 10 126.628 6.823 -6.106 1.00 0.00 C ATOM 159 CG GLU A 10 127.007 7.116 -7.560 1.00 0.00 C ATOM 160 CD GLU A 10 128.498 6.841 -7.769 1.00 0.00 C ATOM 161 OE1 GLU A 10 128.963 5.815 -7.303 1.00 0.00 O ATOM 162 OE2 GLU A 10 129.149 7.664 -8.392 1.00 0.00 O ATOM 0 H GLU A 10 125.387 6.183 -3.968 1.00 0.00 H new ATOM 0 HA GLU A 10 124.740 7.885 -6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 10 127.145 7.512 -5.438 1.00 0.00 H new ATOM 0 HB3 GLU A 10 126.944 5.816 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 10 126.415 6.495 -8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 10 126.781 8.154 -7.803 1.00 0.00 H new ATOM 169 N VAL A 11 123.826 6.056 -7.788 1.00 0.00 N ATOM 170 CA VAL A 11 123.100 4.986 -8.559 1.00 0.00 C ATOM 171 C VAL A 11 124.080 3.873 -8.955 1.00 0.00 C ATOM 172 O VAL A 11 125.083 4.137 -9.594 1.00 0.00 O ATOM 173 CB VAL A 11 122.524 5.659 -9.826 1.00 0.00 C ATOM 174 CG1 VAL A 11 121.669 4.660 -10.616 1.00 0.00 C ATOM 175 CG2 VAL A 11 121.643 6.860 -9.455 1.00 0.00 C ATOM 0 H VAL A 11 123.839 6.969 -8.242 1.00 0.00 H new ATOM 0 HA VAL A 11 122.307 4.540 -7.959 1.00 0.00 H new ATOM 0 HB VAL A 11 123.365 5.996 -10.432 1.00 0.00 H new ATOM 0 HG11 VAL A 11 121.269 5.147 -11.506 1.00 0.00 H new ATOM 0 HG12 VAL A 11 122.283 3.810 -10.912 1.00 0.00 H new ATOM 0 HG13 VAL A 11 120.846 4.312 -9.992 1.00 0.00 H new ATOM 0 HG21 VAL A 11 121.249 7.317 -10.363 1.00 0.00 H new ATOM 0 HG22 VAL A 11 120.816 6.525 -8.829 1.00 0.00 H new ATOM 0 HG23 VAL A 11 122.237 7.592 -8.909 1.00 0.00 H new ATOM 185 N VAL A 12 123.787 2.650 -8.580 1.00 0.00 N ATOM 186 CA VAL A 12 124.639 1.485 -8.986 1.00 0.00 C ATOM 187 C VAL A 12 123.786 0.437 -9.712 1.00 0.00 C ATOM 188 O VAL A 12 122.571 0.471 -9.633 1.00 0.00 O ATOM 189 CB VAL A 12 125.245 0.911 -7.692 1.00 0.00 C ATOM 190 CG1 VAL A 12 126.160 1.954 -7.048 1.00 0.00 C ATOM 191 CG2 VAL A 12 124.153 0.515 -6.687 1.00 0.00 C ATOM 0 H VAL A 12 122.983 2.406 -8.002 1.00 0.00 H new ATOM 0 HA VAL A 12 125.428 1.786 -9.675 1.00 0.00 H new ATOM 0 HB VAL A 12 125.812 0.018 -7.955 1.00 0.00 H new ATOM 0 HG11 VAL A 12 126.588 1.546 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 12 126.962 2.212 -7.740 1.00 0.00 H new ATOM 0 HG13 VAL A 12 125.583 2.848 -6.812 1.00 0.00 H new ATOM 0 HG21 VAL A 12 124.616 0.114 -5.786 1.00 0.00 H new ATOM 0 HG22 VAL A 12 123.559 1.392 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 12 123.507 -0.243 -7.131 1.00 0.00 H new ATOM 201 N SER A 13 124.421 -0.479 -10.407 1.00 0.00 N ATOM 202 CA SER A 13 123.668 -1.502 -11.203 1.00 0.00 C ATOM 203 C SER A 13 123.251 -2.669 -10.304 1.00 0.00 C ATOM 204 O SER A 13 124.091 -3.372 -9.771 1.00 0.00 O ATOM 205 CB SER A 13 124.635 -1.983 -12.289 1.00 0.00 C ATOM 206 OG SER A 13 123.953 -2.872 -13.162 1.00 0.00 O ATOM 0 H SER A 13 125.436 -0.562 -10.457 1.00 0.00 H new ATOM 0 HA SER A 13 122.758 -1.086 -11.635 1.00 0.00 H new ATOM 0 HB2 SER A 13 125.024 -1.132 -12.848 1.00 0.00 H new ATOM 0 HB3 SER A 13 125.490 -2.484 -11.835 1.00 0.00 H new ATOM 0 HG SER A 13 124.568 -3.181 -13.860 1.00 0.00 H new ATOM 486 N PHE A 31 103.282 -4.818 0.835 1.00 0.00 N ATOM 487 CA PHE A 31 103.846 -3.456 0.550 1.00 0.00 C ATOM 488 C PHE A 31 102.750 -2.390 0.656 1.00 0.00 C ATOM 489 O PHE A 31 102.965 -1.345 1.243 1.00 0.00 O ATOM 490 CB PHE A 31 104.418 -3.514 -0.875 1.00 0.00 C ATOM 491 CG PHE A 31 105.870 -3.936 -0.932 1.00 0.00 C ATOM 492 CD1 PHE A 31 106.836 -3.312 -0.082 1.00 0.00 C ATOM 493 CD2 PHE A 31 106.279 -4.961 -1.842 1.00 0.00 C ATOM 494 CE1 PHE A 31 108.207 -3.711 -0.141 1.00 0.00 C ATOM 495 CE2 PHE A 31 107.649 -5.362 -1.899 1.00 0.00 C ATOM 496 CZ PHE A 31 108.614 -4.737 -1.049 1.00 0.00 C ATOM 0 HA PHE A 31 104.620 -3.188 1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.823 -4.209 -1.467 1.00 0.00 H new ATOM 0 HB3 PHE A 31 104.316 -2.533 -1.338 1.00 0.00 H new ATOM 0 HD1 PHE A 31 106.529 -2.538 0.606 1.00 0.00 H new ATOM 0 HD2 PHE A 31 105.552 -5.432 -2.486 1.00 0.00 H new ATOM 0 HE1 PHE A 31 108.935 -3.237 0.500 1.00 0.00 H new ATOM 0 HE2 PHE A 31 107.956 -6.138 -2.585 1.00 0.00 H new ATOM 0 HZ PHE A 31 109.650 -5.040 -1.093 1.00 0.00 H new ATOM 506 N LYS A 32 101.590 -2.652 0.096 1.00 0.00 N ATOM 507 CA LYS A 32 100.460 -1.666 0.160 1.00 0.00 C ATOM 508 C LYS A 32 99.977 -1.486 1.604 1.00 0.00 C ATOM 509 O LYS A 32 99.526 -0.417 1.971 1.00 0.00 O ATOM 510 CB LYS A 32 99.337 -2.236 -0.712 1.00 0.00 C ATOM 511 CG LYS A 32 98.259 -1.170 -0.923 1.00 0.00 C ATOM 512 CD LYS A 32 97.151 -1.733 -1.814 1.00 0.00 C ATOM 513 CE LYS A 32 96.121 -0.638 -2.103 1.00 0.00 C ATOM 514 NZ LYS A 32 96.691 0.135 -3.242 1.00 0.00 N ATOM 0 H LYS A 32 101.376 -3.513 -0.407 1.00 0.00 H new ATOM 0 HA LYS A 32 100.778 -0.686 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 32 99.737 -2.558 -1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.904 -3.116 -0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 32 97.846 -0.861 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 32 98.695 -0.283 -1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 32 97.574 -2.104 -2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 32 96.670 -2.579 -1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 32 95.152 -1.065 -2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 32 95.966 -0.001 -1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 96.401 1.131 -3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 97.729 0.074 -3.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 96.341 -0.259 -4.139 1.00 0.00 H new ATOM 528 N LYS A 33 100.065 -2.522 2.407 1.00 0.00 N ATOM 529 CA LYS A 33 99.664 -2.412 3.848 1.00 0.00 C ATOM 530 C LYS A 33 100.642 -1.514 4.612 1.00 0.00 C ATOM 531 O LYS A 33 100.227 -0.723 5.441 1.00 0.00 O ATOM 532 CB LYS A 33 99.689 -3.836 4.415 1.00 0.00 C ATOM 533 CG LYS A 33 99.039 -3.848 5.801 1.00 0.00 C ATOM 534 CD LYS A 33 99.123 -5.257 6.391 1.00 0.00 C ATOM 535 CE LYS A 33 98.335 -5.310 7.702 1.00 0.00 C ATOM 536 NZ LYS A 33 98.101 -6.760 7.952 1.00 0.00 N ATOM 0 H LYS A 33 100.399 -3.443 2.124 1.00 0.00 H new ATOM 0 HA LYS A 33 98.675 -1.966 3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 33 99.157 -4.514 3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 33 100.716 -4.194 4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 33 99.542 -3.137 6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 33 97.998 -3.534 5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 33 98.722 -5.983 5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 33 100.164 -5.527 6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 33 98.895 -4.854 8.518 1.00 0.00 H new ATOM 0 HE3 LYS A 33 97.394 -4.767 7.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 97.565 -6.878 8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 97.560 -7.166 7.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 99.015 -7.250 8.033 1.00 0.00 H new ATOM 550 N ILE A 34 101.922 -1.633 4.337 1.00 0.00 N ATOM 551 CA ILE A 34 102.951 -0.858 5.106 1.00 0.00 C ATOM 552 C ILE A 34 103.046 0.569 4.547 1.00 0.00 C ATOM 553 O ILE A 34 103.236 1.512 5.296 1.00 0.00 O ATOM 554 CB ILE A 34 104.289 -1.609 4.945 1.00 0.00 C ATOM 555 CG1 ILE A 34 104.163 -3.057 5.437 1.00 0.00 C ATOM 556 CG2 ILE A 34 105.385 -0.919 5.769 1.00 0.00 C ATOM 557 CD1 ILE A 34 105.354 -3.872 4.925 1.00 0.00 C ATOM 0 H ILE A 34 102.300 -2.238 3.608 1.00 0.00 H new ATOM 0 HA ILE A 34 102.689 -0.778 6.161 1.00 0.00 H new ATOM 0 HB ILE A 34 104.548 -1.601 3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 34 104.132 -3.082 6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 34 103.230 -3.494 5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 34 106.325 -1.458 5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 34 105.508 0.108 5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.102 -0.916 6.821 1.00 0.00 H new ATOM 0 HD11 ILE A 34 105.267 -4.901 5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 34 105.363 -3.857 3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 34 106.280 -3.439 5.302 1.00 0.00 H new ATOM 569 N LEU A 35 102.913 0.723 3.250 1.00 0.00 N ATOM 570 CA LEU A 35 103.114 2.057 2.602 1.00 0.00 C ATOM 571 C LEU A 35 101.780 2.716 2.237 1.00 0.00 C ATOM 572 O LEU A 35 101.697 3.930 2.164 1.00 0.00 O ATOM 573 CB LEU A 35 103.899 1.764 1.324 1.00 0.00 C ATOM 574 CG LEU A 35 105.293 1.237 1.663 1.00 0.00 C ATOM 575 CD1 LEU A 35 105.887 0.560 0.427 1.00 0.00 C ATOM 576 CD2 LEU A 35 106.190 2.402 2.088 1.00 0.00 C ATOM 0 H LEU A 35 102.671 -0.030 2.606 1.00 0.00 H new ATOM 0 HA LEU A 35 103.630 2.742 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 35 103.363 1.031 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 35 103.982 2.671 0.725 1.00 0.00 H new ATOM 0 HG LEU A 35 105.225 0.518 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 35 106.882 0.182 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.247 -0.268 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 35 105.957 1.283 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 35 107.184 2.026 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.262 3.122 1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.763 2.889 2.965 1.00 0.00 H new ATOM 588 N GLY A 36 100.750 1.931 2.014 1.00 0.00 N ATOM 589 CA GLY A 36 99.455 2.479 1.507 1.00 0.00 C ATOM 590 C GLY A 36 99.481 2.659 -0.020 1.00 0.00 C ATOM 591 O GLY A 36 98.631 3.350 -0.555 1.00 0.00 O ATOM 0 H GLY A 36 100.755 0.922 2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 36 98.642 1.807 1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 36 99.252 3.438 1.984 1.00 0.00 H new ATOM 595 N PHE A 37 100.428 2.063 -0.722 1.00 0.00 N ATOM 596 CA PHE A 37 100.372 2.040 -2.218 1.00 0.00 C ATOM 597 C PHE A 37 101.070 0.792 -2.770 1.00 0.00 C ATOM 598 O PHE A 37 101.837 0.151 -2.073 1.00 0.00 O ATOM 599 CB PHE A 37 101.068 3.326 -2.686 1.00 0.00 C ATOM 600 CG PHE A 37 102.542 3.429 -2.350 1.00 0.00 C ATOM 601 CD1 PHE A 37 103.498 2.631 -3.055 1.00 0.00 C ATOM 602 CD2 PHE A 37 102.983 4.342 -1.343 1.00 0.00 C ATOM 603 CE1 PHE A 37 104.889 2.743 -2.753 1.00 0.00 C ATOM 604 CE2 PHE A 37 104.376 4.454 -1.038 1.00 0.00 C ATOM 605 CZ PHE A 37 105.328 3.656 -1.743 1.00 0.00 C ATOM 0 H PHE A 37 101.237 1.592 -0.316 1.00 0.00 H new ATOM 0 HA PHE A 37 99.345 1.998 -2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 37 100.953 3.408 -3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 37 100.552 4.179 -2.245 1.00 0.00 H new ATOM 0 HD1 PHE A 37 103.166 1.942 -3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 37 102.264 4.948 -0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 37 105.609 2.139 -3.286 1.00 0.00 H new ATOM 0 HE2 PHE A 37 104.708 5.142 -0.275 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.380 3.742 -1.513 1.00 0.00 H new ATOM 615 N GLU A 38 100.804 0.459 -4.013 1.00 0.00 N ATOM 616 CA GLU A 38 101.464 -0.719 -4.658 1.00 0.00 C ATOM 617 C GLU A 38 102.716 -0.260 -5.427 1.00 0.00 C ATOM 618 O GLU A 38 102.568 0.343 -6.474 1.00 0.00 O ATOM 619 CB GLU A 38 100.424 -1.286 -5.627 1.00 0.00 C ATOM 620 CG GLU A 38 99.303 -1.969 -4.839 1.00 0.00 C ATOM 621 CD GLU A 38 99.717 -3.400 -4.488 1.00 0.00 C ATOM 622 OE1 GLU A 38 100.846 -3.584 -4.064 1.00 0.00 O ATOM 623 OE2 GLU A 38 98.896 -4.288 -4.652 1.00 0.00 O ATOM 0 H GLU A 38 100.150 0.961 -4.613 1.00 0.00 H new ATOM 0 HA GLU A 38 101.784 -1.463 -3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 38 100.013 -0.486 -6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 38 100.894 -2.000 -6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 38 99.091 -1.408 -3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 38 98.386 -1.980 -5.428 1.00 0.00 H new ATOM 630 N PRO A 39 103.904 -0.544 -4.910 1.00 0.00 N ATOM 631 CA PRO A 39 105.155 -0.083 -5.588 1.00 0.00 C ATOM 632 C PRO A 39 105.346 -0.828 -6.913 1.00 0.00 C ATOM 633 O PRO A 39 104.761 -1.876 -7.121 1.00 0.00 O ATOM 634 CB PRO A 39 106.250 -0.449 -4.588 1.00 0.00 C ATOM 635 CG PRO A 39 105.685 -1.623 -3.870 1.00 0.00 C ATOM 636 CD PRO A 39 104.232 -1.302 -3.683 1.00 0.00 C ATOM 0 HA PRO A 39 105.150 0.978 -5.837 1.00 0.00 H new ATOM 0 HB2 PRO A 39 107.185 -0.697 -5.090 1.00 0.00 H new ATOM 0 HB3 PRO A 39 106.463 0.374 -3.906 1.00 0.00 H new ATOM 0 HG2 PRO A 39 105.816 -2.539 -4.447 1.00 0.00 H new ATOM 0 HG3 PRO A 39 106.182 -1.776 -2.912 1.00 0.00 H new ATOM 0 HD2 PRO A 39 103.627 -2.204 -3.591 1.00 0.00 H new ATOM 0 HD3 PRO A 39 104.061 -0.710 -2.784 1.00 0.00 H new ATOM 644 N TYR A 40 106.157 -0.288 -7.796 1.00 0.00 N ATOM 645 CA TYR A 40 106.394 -0.940 -9.126 1.00 0.00 C ATOM 646 C TYR A 40 107.270 -2.182 -8.948 1.00 0.00 C ATOM 647 O TYR A 40 107.953 -2.317 -7.946 1.00 0.00 O ATOM 648 CB TYR A 40 107.120 0.096 -9.990 1.00 0.00 C ATOM 649 CG TYR A 40 107.274 -0.324 -11.432 1.00 0.00 C ATOM 650 CD1 TYR A 40 108.432 -1.057 -11.843 1.00 0.00 C ATOM 651 CD2 TYR A 40 106.265 0.011 -12.387 1.00 0.00 C ATOM 652 CE1 TYR A 40 108.578 -1.454 -13.208 1.00 0.00 C ATOM 653 CE2 TYR A 40 106.412 -0.387 -13.751 1.00 0.00 C ATOM 654 CZ TYR A 40 107.569 -1.120 -14.162 1.00 0.00 C ATOM 655 OH TYR A 40 107.710 -1.504 -15.480 1.00 0.00 O ATOM 0 H TYR A 40 106.668 0.583 -7.650 1.00 0.00 H new ATOM 0 HA TYR A 40 105.459 -1.255 -9.588 1.00 0.00 H new ATOM 0 HB2 TYR A 40 106.573 1.038 -9.951 1.00 0.00 H new ATOM 0 HB3 TYR A 40 108.107 0.283 -9.567 1.00 0.00 H new ATOM 0 HD1 TYR A 40 109.195 -1.310 -11.122 1.00 0.00 H new ATOM 0 HD2 TYR A 40 105.391 0.565 -12.077 1.00 0.00 H new ATOM 0 HE1 TYR A 40 109.452 -2.007 -13.518 1.00 0.00 H new ATOM 0 HE2 TYR A 40 105.649 -0.134 -14.472 1.00 0.00 H new ATOM 0 HH TYR A 40 106.934 -1.198 -15.995 1.00 0.00 H new ATOM 665 N GLU A 41 107.255 -3.076 -9.913 1.00 0.00 N ATOM 666 CA GLU A 41 108.087 -4.318 -9.812 1.00 0.00 C ATOM 667 C GLU A 41 109.538 -4.001 -10.198 1.00 0.00 C ATOM 668 O GLU A 41 109.975 -4.266 -11.306 1.00 0.00 O ATOM 669 CB GLU A 41 107.459 -5.318 -10.794 1.00 0.00 C ATOM 670 CG GLU A 41 106.063 -5.711 -10.304 1.00 0.00 C ATOM 671 CD GLU A 41 105.426 -6.693 -11.291 1.00 0.00 C ATOM 672 OE1 GLU A 41 106.117 -7.599 -11.728 1.00 0.00 O ATOM 673 OE2 GLU A 41 104.257 -6.522 -11.594 1.00 0.00 O ATOM 0 H GLU A 41 106.701 -2.997 -10.766 1.00 0.00 H new ATOM 0 HA GLU A 41 108.107 -4.724 -8.801 1.00 0.00 H new ATOM 0 HB2 GLU A 41 107.395 -4.876 -11.788 1.00 0.00 H new ATOM 0 HB3 GLU A 41 108.088 -6.204 -10.879 1.00 0.00 H new ATOM 0 HG2 GLU A 41 106.129 -6.166 -9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 41 105.438 -4.823 -10.206 1.00 0.00 H new ATOM 680 N GLY A 42 110.277 -3.427 -9.274 1.00 0.00 N ATOM 681 CA GLY A 42 111.727 -3.142 -9.500 1.00 0.00 C ATOM 682 C GLY A 42 112.317 -2.491 -8.246 1.00 0.00 C ATOM 683 O GLY A 42 111.602 -2.225 -7.296 1.00 0.00 O ATOM 0 H GLY A 42 109.927 -3.141 -8.360 1.00 0.00 H new ATOM 0 HA2 GLY A 42 112.259 -4.065 -9.729 1.00 0.00 H new ATOM 0 HA3 GLY A 42 111.850 -2.482 -10.358 1.00 0.00 H new ATOM 687 N THR A 43 113.606 -2.239 -8.247 1.00 0.00 N ATOM 688 CA THR A 43 114.260 -1.554 -7.089 1.00 0.00 C ATOM 689 C THR A 43 115.272 -0.512 -7.574 1.00 0.00 C ATOM 690 O THR A 43 115.777 -0.599 -8.679 1.00 0.00 O ATOM 691 CB THR A 43 114.974 -2.648 -6.288 1.00 0.00 C ATOM 692 OG1 THR A 43 115.577 -3.592 -7.164 1.00 0.00 O ATOM 693 CG2 THR A 43 113.969 -3.357 -5.378 1.00 0.00 C ATOM 0 H THR A 43 114.238 -2.482 -9.010 1.00 0.00 H new ATOM 0 HA THR A 43 113.523 -1.029 -6.482 1.00 0.00 H new ATOM 0 HB THR A 43 115.753 -2.187 -5.681 1.00 0.00 H new ATOM 0 HG1 THR A 43 116.030 -4.283 -6.638 1.00 0.00 H new ATOM 0 HG21 THR A 43 114.479 -4.135 -4.809 1.00 0.00 H new ATOM 0 HG22 THR A 43 113.528 -2.635 -4.691 1.00 0.00 H new ATOM 0 HG23 THR A 43 113.183 -3.807 -5.985 1.00 0.00 H new ATOM 701 N LEU A 44 115.554 0.465 -6.745 1.00 0.00 N ATOM 702 CA LEU A 44 116.682 1.407 -7.004 1.00 0.00 C ATOM 703 C LEU A 44 117.803 1.109 -6.005 1.00 0.00 C ATOM 704 O LEU A 44 117.617 1.263 -4.812 1.00 0.00 O ATOM 705 CB LEU A 44 116.094 2.803 -6.774 1.00 0.00 C ATOM 706 CG LEU A 44 117.130 3.877 -7.113 1.00 0.00 C ATOM 707 CD1 LEU A 44 117.344 3.928 -8.626 1.00 0.00 C ATOM 708 CD2 LEU A 44 116.628 5.239 -6.625 1.00 0.00 C ATOM 0 H LEU A 44 115.038 0.650 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 44 117.100 1.319 -8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 44 115.206 2.937 -7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 44 115.779 2.906 -5.735 1.00 0.00 H new ATOM 0 HG LEU A 44 118.073 3.636 -6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 44 118.082 4.694 -8.863 1.00 0.00 H new ATOM 0 HD12 LEU A 44 117.701 2.959 -8.976 1.00 0.00 H new ATOM 0 HD13 LEU A 44 116.402 4.167 -9.119 1.00 0.00 H new ATOM 0 HD21 LEU A 44 117.365 6.006 -6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 44 115.684 5.476 -7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 44 116.478 5.206 -5.546 1.00 0.00 H new ATOM 720 N ASN A 45 118.947 0.689 -6.490 1.00 0.00 N ATOM 721 CA ASN A 45 120.066 0.291 -5.583 1.00 0.00 C ATOM 722 C ASN A 45 121.064 1.443 -5.444 1.00 0.00 C ATOM 723 O ASN A 45 121.610 1.908 -6.429 1.00 0.00 O ATOM 724 CB ASN A 45 120.726 -0.911 -6.262 1.00 0.00 C ATOM 725 CG ASN A 45 119.858 -2.154 -6.058 1.00 0.00 C ATOM 726 OD1 ASN A 45 118.699 -2.168 -6.420 1.00 0.00 O ATOM 727 ND2 ASN A 45 120.377 -3.208 -5.489 1.00 0.00 N ATOM 0 H ASN A 45 119.153 0.605 -7.485 1.00 0.00 H new ATOM 0 HA ASN A 45 119.716 0.047 -4.580 1.00 0.00 H new ATOM 0 HB2 ASN A 45 120.855 -0.715 -7.327 1.00 0.00 H new ATOM 0 HB3 ASN A 45 121.720 -1.076 -5.846 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.809 -4.043 -5.348 1.00 0.00 H new ATOM 0 HD22 ASN A 45 121.351 -3.196 -5.185 1.00 0.00 H new ATOM 734 N LEU A 46 121.296 1.893 -4.232 1.00 0.00 N ATOM 735 CA LEU A 46 122.244 3.026 -3.995 1.00 0.00 C ATOM 736 C LEU A 46 123.388 2.586 -3.079 1.00 0.00 C ATOM 737 O LEU A 46 123.165 1.923 -2.081 1.00 0.00 O ATOM 738 CB LEU A 46 121.410 4.120 -3.326 1.00 0.00 C ATOM 739 CG LEU A 46 120.504 4.784 -4.365 1.00 0.00 C ATOM 740 CD1 LEU A 46 119.469 5.658 -3.655 1.00 0.00 C ATOM 741 CD2 LEU A 46 121.348 5.657 -5.298 1.00 0.00 C ATOM 0 H LEU A 46 120.863 1.518 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 46 122.699 3.374 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 46 120.808 3.693 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 46 122.065 4.864 -2.872 1.00 0.00 H new ATOM 0 HG LEU A 46 119.996 4.014 -4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 46 118.823 6.131 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 46 118.866 5.040 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 46 119.979 6.426 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 46 120.702 6.129 -6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 46 121.856 6.426 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 46 122.088 5.038 -5.805 1.00 0.00 H new ATOM 753 N LYS A 47 124.599 2.955 -3.427 1.00 0.00 N ATOM 754 CA LYS A 47 125.774 2.703 -2.536 1.00 0.00 C ATOM 755 C LYS A 47 126.053 3.956 -1.703 1.00 0.00 C ATOM 756 O LYS A 47 126.084 5.052 -2.233 1.00 0.00 O ATOM 757 CB LYS A 47 126.940 2.408 -3.484 1.00 0.00 C ATOM 758 CG LYS A 47 128.165 1.963 -2.682 1.00 0.00 C ATOM 759 CD LYS A 47 129.367 1.834 -3.620 1.00 0.00 C ATOM 760 CE LYS A 47 130.557 1.260 -2.849 1.00 0.00 C ATOM 761 NZ LYS A 47 131.756 1.668 -3.634 1.00 0.00 N ATOM 0 H LYS A 47 124.824 3.426 -4.303 1.00 0.00 H new ATOM 0 HA LYS A 47 125.610 1.879 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 47 126.656 1.630 -4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 47 127.180 3.297 -4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 47 128.380 2.685 -1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 47 127.967 1.009 -2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 47 129.118 1.186 -4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 47 129.625 2.809 -4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 47 130.597 1.654 -1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 47 130.489 0.175 -2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 132.614 1.311 -3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 131.693 1.273 -4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 131.798 2.706 -3.689 1.00 0.00 H new ATOM 775 N LEU A 48 126.252 3.790 -0.416 1.00 0.00 N ATOM 776 CA LEU A 48 126.444 4.958 0.496 1.00 0.00 C ATOM 777 C LEU A 48 127.875 4.986 1.036 1.00 0.00 C ATOM 778 O LEU A 48 128.566 3.984 1.015 1.00 0.00 O ATOM 779 CB LEU A 48 125.460 4.748 1.650 1.00 0.00 C ATOM 780 CG LEU A 48 124.019 4.824 1.139 1.00 0.00 C ATOM 781 CD1 LEU A 48 123.068 4.346 2.237 1.00 0.00 C ATOM 782 CD2 LEU A 48 123.681 6.272 0.771 1.00 0.00 C ATOM 0 H LEU A 48 126.290 2.881 0.045 1.00 0.00 H new ATOM 0 HA LEU A 48 126.272 5.901 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 48 125.637 3.779 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 48 125.622 5.505 2.417 1.00 0.00 H new ATOM 0 HG LEU A 48 123.912 4.191 0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 48 122.041 4.399 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 48 123.307 3.316 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 48 123.178 4.982 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 48 122.655 6.325 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 48 123.787 6.905 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 48 124.360 6.617 -0.008 1.00 0.00 H new ATOM 794 N ASP A 49 128.308 6.132 1.510 1.00 0.00 N ATOM 795 CA ASP A 49 129.632 6.228 2.206 1.00 0.00 C ATOM 796 C ASP A 49 129.507 5.966 3.718 1.00 0.00 C ATOM 797 O ASP A 49 130.438 6.237 4.457 1.00 0.00 O ATOM 798 CB ASP A 49 130.152 7.650 1.927 1.00 0.00 C ATOM 799 CG ASP A 49 129.204 8.720 2.486 1.00 0.00 C ATOM 800 OD1 ASP A 49 128.042 8.707 2.115 1.00 0.00 O ATOM 801 OD2 ASP A 49 129.659 9.533 3.274 1.00 0.00 O ATOM 0 H ASP A 49 127.796 7.012 1.444 1.00 0.00 H new ATOM 0 HA ASP A 49 130.322 5.469 1.836 1.00 0.00 H new ATOM 0 HB2 ASP A 49 131.140 7.770 2.372 1.00 0.00 H new ATOM 0 HB3 ASP A 49 130.267 7.791 0.852 1.00 0.00 H new ATOM 806 N ARG A 50 128.384 5.449 4.179 1.00 0.00 N ATOM 807 CA ARG A 50 128.182 5.204 5.640 1.00 0.00 C ATOM 808 C ARG A 50 127.326 3.948 5.836 1.00 0.00 C ATOM 809 O ARG A 50 126.410 3.702 5.071 1.00 0.00 O ATOM 810 CB ARG A 50 127.443 6.437 6.163 1.00 0.00 C ATOM 811 CG ARG A 50 128.351 7.667 6.078 1.00 0.00 C ATOM 812 CD ARG A 50 127.667 8.852 6.769 1.00 0.00 C ATOM 813 NE ARG A 50 128.529 10.047 6.486 1.00 0.00 N ATOM 814 CZ ARG A 50 128.546 11.115 7.261 1.00 0.00 C ATOM 815 NH1 ARG A 50 127.794 11.236 8.332 1.00 0.00 N ATOM 816 NH2 ARG A 50 129.339 12.101 6.944 1.00 0.00 N ATOM 0 H ARG A 50 127.593 5.185 3.592 1.00 0.00 H new ATOM 0 HA ARG A 50 129.123 5.048 6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 50 126.537 6.603 5.580 1.00 0.00 H new ATOM 0 HB3 ARG A 50 127.133 6.275 7.195 1.00 0.00 H new ATOM 0 HG2 ARG A 50 129.310 7.459 6.553 1.00 0.00 H new ATOM 0 HG3 ARG A 50 128.558 7.909 5.036 1.00 0.00 H new ATOM 0 HD2 ARG A 50 126.658 8.999 6.385 1.00 0.00 H new ATOM 0 HD3 ARG A 50 127.578 8.680 7.842 1.00 0.00 H new ATOM 0 HE ARG A 50 129.127 10.033 5.660 1.00 0.00 H new ATOM 0 HH11 ARG A 50 127.159 10.483 8.597 1.00 0.00 H new ATOM 0 HH12 ARG A 50 127.845 12.083 8.898 1.00 0.00 H new ATOM 0 HH21 ARG A 50 129.927 12.035 6.113 1.00 0.00 H new ATOM 0 HH22 ARG A 50 129.371 12.938 7.527 1.00 0.00 H new ATOM 830 N GLU A 51 127.623 3.167 6.851 1.00 0.00 N ATOM 831 CA GLU A 51 126.823 1.926 7.135 1.00 0.00 C ATOM 832 C GLU A 51 125.381 2.290 7.506 1.00 0.00 C ATOM 833 O GLU A 51 125.138 3.335 8.083 1.00 0.00 O ATOM 834 CB GLU A 51 127.509 1.232 8.318 1.00 0.00 C ATOM 835 CG GLU A 51 128.906 0.766 7.901 1.00 0.00 C ATOM 836 CD GLU A 51 129.567 0.025 9.066 1.00 0.00 C ATOM 837 OE1 GLU A 51 130.229 0.676 9.856 1.00 0.00 O ATOM 838 OE2 GLU A 51 129.399 -1.181 9.146 1.00 0.00 O ATOM 0 H GLU A 51 128.391 3.337 7.500 1.00 0.00 H new ATOM 0 HA GLU A 51 126.782 1.278 6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 51 127.580 1.917 9.163 1.00 0.00 H new ATOM 0 HB3 GLU A 51 126.914 0.380 8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 51 128.838 0.112 7.032 1.00 0.00 H new ATOM 0 HG3 GLU A 51 129.514 1.622 7.609 1.00 0.00 H new ATOM 845 N PHE A 52 124.441 1.433 7.176 1.00 0.00 N ATOM 846 CA PHE A 52 123.005 1.697 7.504 1.00 0.00 C ATOM 847 C PHE A 52 122.369 0.464 8.151 1.00 0.00 C ATOM 848 O PHE A 52 122.592 -0.651 7.716 1.00 0.00 O ATOM 849 CB PHE A 52 122.334 2.001 6.162 1.00 0.00 C ATOM 850 CG PHE A 52 120.886 2.415 6.293 1.00 0.00 C ATOM 851 CD1 PHE A 52 119.893 1.446 6.635 1.00 0.00 C ATOM 852 CD2 PHE A 52 120.509 3.777 6.078 1.00 0.00 C ATOM 853 CE1 PHE A 52 118.525 1.837 6.765 1.00 0.00 C ATOM 854 CE2 PHE A 52 119.140 4.169 6.206 1.00 0.00 C ATOM 855 CZ PHE A 52 118.148 3.199 6.550 1.00 0.00 C ATOM 0 H PHE A 52 124.612 0.554 6.688 1.00 0.00 H new ATOM 0 HA PHE A 52 122.894 2.519 8.211 1.00 0.00 H new ATOM 0 HB2 PHE A 52 122.887 2.795 5.660 1.00 0.00 H new ATOM 0 HB3 PHE A 52 122.395 1.118 5.526 1.00 0.00 H new ATOM 0 HD1 PHE A 52 120.177 0.416 6.795 1.00 0.00 H new ATOM 0 HD2 PHE A 52 121.258 4.510 5.819 1.00 0.00 H new ATOM 0 HE1 PHE A 52 117.776 1.104 7.026 1.00 0.00 H new ATOM 0 HE2 PHE A 52 118.855 5.198 6.043 1.00 0.00 H new ATOM 0 HZ PHE A 52 117.114 3.495 6.647 1.00 0.00 H new ATOM 865 N ASP A 53 121.584 0.673 9.184 1.00 0.00 N ATOM 866 CA ASP A 53 120.812 -0.441 9.813 1.00 0.00 C ATOM 867 C ASP A 53 119.396 0.035 10.148 1.00 0.00 C ATOM 868 O ASP A 53 119.224 1.026 10.837 1.00 0.00 O ATOM 869 CB ASP A 53 121.581 -0.784 11.090 1.00 0.00 C ATOM 870 CG ASP A 53 121.045 -2.092 11.676 1.00 0.00 C ATOM 871 OD1 ASP A 53 119.836 -2.239 11.744 1.00 0.00 O ATOM 872 OD2 ASP A 53 121.855 -2.927 12.048 1.00 0.00 O ATOM 0 H ASP A 53 121.446 1.584 9.622 1.00 0.00 H new ATOM 0 HA ASP A 53 120.714 -1.305 9.156 1.00 0.00 H new ATOM 0 HB2 ASP A 53 122.644 -0.881 10.871 1.00 0.00 H new ATOM 0 HB3 ASP A 53 121.477 0.022 11.817 1.00 0.00 H new ATOM 877 N ILE A 54 118.392 -0.665 9.662 1.00 0.00 N ATOM 878 CA ILE A 54 116.969 -0.253 9.916 1.00 0.00 C ATOM 879 C ILE A 54 116.629 -0.314 11.418 1.00 0.00 C ATOM 880 O ILE A 54 115.719 0.365 11.864 1.00 0.00 O ATOM 881 CB ILE A 54 116.090 -1.203 9.077 1.00 0.00 C ATOM 882 CG1 ILE A 54 114.620 -0.777 9.183 1.00 0.00 C ATOM 883 CG2 ILE A 54 116.246 -2.657 9.542 1.00 0.00 C ATOM 884 CD1 ILE A 54 113.786 -1.498 8.122 1.00 0.00 C ATOM 0 H ILE A 54 118.498 -1.508 9.098 1.00 0.00 H new ATOM 0 HA ILE A 54 116.795 0.783 9.624 1.00 0.00 H new ATOM 0 HB ILE A 54 116.415 -1.142 8.038 1.00 0.00 H new ATOM 0 HG12 ILE A 54 114.237 -1.008 10.177 1.00 0.00 H new ATOM 0 HG13 ILE A 54 114.536 0.302 9.052 1.00 0.00 H new ATOM 0 HG21 ILE A 54 115.615 -3.304 8.933 1.00 0.00 H new ATOM 0 HG22 ILE A 54 117.287 -2.963 9.437 1.00 0.00 H new ATOM 0 HG23 ILE A 54 115.947 -2.739 10.587 1.00 0.00 H new ATOM 0 HD11 ILE A 54 112.744 -1.189 8.206 1.00 0.00 H new ATOM 0 HD12 ILE A 54 114.161 -1.245 7.130 1.00 0.00 H new ATOM 0 HD13 ILE A 54 113.858 -2.575 8.273 1.00 0.00 H new ATOM 896 N ASN A 55 117.345 -1.110 12.184 1.00 0.00 N ATOM 897 CA ASN A 55 117.065 -1.219 13.658 1.00 0.00 C ATOM 898 C ASN A 55 117.548 0.019 14.432 1.00 0.00 C ATOM 899 O ASN A 55 117.368 0.082 15.636 1.00 0.00 O ATOM 900 CB ASN A 55 117.810 -2.467 14.144 1.00 0.00 C ATOM 901 CG ASN A 55 117.214 -3.714 13.489 1.00 0.00 C ATOM 902 OD1 ASN A 55 116.016 -3.804 13.300 1.00 0.00 O ATOM 903 ND2 ASN A 55 118.005 -4.688 13.130 1.00 0.00 N ATOM 0 H ASN A 55 118.114 -1.691 11.851 1.00 0.00 H new ATOM 0 HA ASN A 55 115.991 -1.288 13.832 1.00 0.00 H new ATOM 0 HB2 ASN A 55 118.869 -2.388 13.900 1.00 0.00 H new ATOM 0 HB3 ASN A 55 117.738 -2.545 15.229 1.00 0.00 H new ATOM 0 HD21 ASN A 55 117.618 -5.524 12.691 1.00 0.00 H new ATOM 0 HD22 ASN A 55 119.010 -4.613 13.288 1.00 0.00 H new ATOM 910 N LYS A 56 118.153 0.987 13.773 1.00 0.00 N ATOM 911 CA LYS A 56 118.457 2.298 14.435 1.00 0.00 C ATOM 912 C LYS A 56 117.312 3.306 14.239 1.00 0.00 C ATOM 913 O LYS A 56 117.273 4.315 14.923 1.00 0.00 O ATOM 914 CB LYS A 56 119.742 2.806 13.775 1.00 0.00 C ATOM 915 CG LYS A 56 120.906 1.884 14.143 1.00 0.00 C ATOM 916 CD LYS A 56 122.208 2.454 13.576 1.00 0.00 C ATOM 917 CE LYS A 56 123.353 1.474 13.843 1.00 0.00 C ATOM 918 NZ LYS A 56 124.587 2.209 13.449 1.00 0.00 N ATOM 0 H LYS A 56 118.450 0.922 12.799 1.00 0.00 H new ATOM 0 HA LYS A 56 118.573 2.176 15.512 1.00 0.00 H new ATOM 0 HB2 LYS A 56 119.619 2.839 12.692 1.00 0.00 H new ATOM 0 HB3 LYS A 56 119.953 3.824 14.103 1.00 0.00 H new ATOM 0 HG2 LYS A 56 120.980 1.789 15.226 1.00 0.00 H new ATOM 0 HG3 LYS A 56 120.731 0.884 13.746 1.00 0.00 H new ATOM 0 HD2 LYS A 56 122.106 2.627 12.505 1.00 0.00 H new ATOM 0 HD3 LYS A 56 122.426 3.418 14.035 1.00 0.00 H new ATOM 0 HE2 LYS A 56 123.386 1.181 14.892 1.00 0.00 H new ATOM 0 HE3 LYS A 56 123.235 0.560 13.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 125.417 1.602 13.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 124.530 2.469 12.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 124.677 3.071 14.025 1.00 0.00 H new ATOM 932 N PHE A 57 116.394 3.051 13.327 1.00 0.00 N ATOM 933 CA PHE A 57 115.191 3.928 13.170 1.00 0.00 C ATOM 934 C PHE A 57 113.929 3.119 13.484 1.00 0.00 C ATOM 935 O PHE A 57 114.005 1.925 13.715 1.00 0.00 O ATOM 936 CB PHE A 57 115.178 4.387 11.707 1.00 0.00 C ATOM 937 CG PHE A 57 116.459 5.048 11.246 1.00 0.00 C ATOM 938 CD1 PHE A 57 116.631 6.460 11.386 1.00 0.00 C ATOM 939 CD2 PHE A 57 117.502 4.253 10.676 1.00 0.00 C ATOM 940 CE1 PHE A 57 117.845 7.077 10.955 1.00 0.00 C ATOM 941 CE2 PHE A 57 118.715 4.871 10.243 1.00 0.00 C ATOM 942 CZ PHE A 57 118.888 6.283 10.383 1.00 0.00 C ATOM 0 H PHE A 57 116.432 2.263 12.681 1.00 0.00 H new ATOM 0 HA PHE A 57 115.221 4.783 13.846 1.00 0.00 H new ATOM 0 HB2 PHE A 57 114.979 3.525 11.070 1.00 0.00 H new ATOM 0 HB3 PHE A 57 114.353 5.085 11.565 1.00 0.00 H new ATOM 0 HD1 PHE A 57 115.843 7.060 11.817 1.00 0.00 H new ATOM 0 HD2 PHE A 57 117.373 3.186 10.573 1.00 0.00 H new ATOM 0 HE1 PHE A 57 117.975 8.144 11.061 1.00 0.00 H new ATOM 0 HE2 PHE A 57 119.502 4.271 9.810 1.00 0.00 H new ATOM 0 HZ PHE A 57 119.806 6.750 10.057 1.00 0.00 H new ATOM 952 N LYS A 58 112.784 3.763 13.490 1.00 0.00 N ATOM 953 CA LYS A 58 111.507 3.064 13.842 1.00 0.00 C ATOM 954 C LYS A 58 110.844 2.509 12.578 1.00 0.00 C ATOM 955 O LYS A 58 110.237 3.246 11.821 1.00 0.00 O ATOM 956 CB LYS A 58 110.620 4.128 14.495 1.00 0.00 C ATOM 957 CG LYS A 58 111.231 4.556 15.831 1.00 0.00 C ATOM 958 CD LYS A 58 110.289 5.535 16.533 1.00 0.00 C ATOM 959 CE LYS A 58 110.952 6.054 17.811 1.00 0.00 C ATOM 960 NZ LYS A 58 109.839 6.636 18.612 1.00 0.00 N ATOM 0 H LYS A 58 112.680 4.752 13.264 1.00 0.00 H new ATOM 0 HA LYS A 58 111.675 2.220 14.511 1.00 0.00 H new ATOM 0 HB2 LYS A 58 110.523 4.990 13.835 1.00 0.00 H new ATOM 0 HB3 LYS A 58 109.616 3.733 14.653 1.00 0.00 H new ATOM 0 HG2 LYS A 58 111.401 3.683 16.461 1.00 0.00 H new ATOM 0 HG3 LYS A 58 112.202 5.024 15.666 1.00 0.00 H new ATOM 0 HD2 LYS A 58 110.052 6.367 15.870 1.00 0.00 H new ATOM 0 HD3 LYS A 58 109.348 5.041 16.774 1.00 0.00 H new ATOM 0 HE2 LYS A 58 111.450 5.249 18.353 1.00 0.00 H new ATOM 0 HE3 LYS A 58 111.711 6.804 17.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 110.215 7.014 19.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 109.389 7.404 18.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 109.136 5.898 18.817 1.00 0.00 H new ATOM 974 N TYR A 59 110.964 1.219 12.357 1.00 0.00 N ATOM 975 CA TYR A 59 110.379 0.579 11.141 1.00 0.00 C ATOM 976 C TYR A 59 109.178 -0.300 11.519 1.00 0.00 C ATOM 977 O TYR A 59 108.854 -0.437 12.686 1.00 0.00 O ATOM 978 CB TYR A 59 111.532 -0.247 10.545 1.00 0.00 C ATOM 979 CG TYR A 59 111.977 -1.424 11.392 1.00 0.00 C ATOM 980 CD1 TYR A 59 112.998 -1.259 12.379 1.00 0.00 C ATOM 981 CD2 TYR A 59 111.364 -2.702 11.206 1.00 0.00 C ATOM 982 CE1 TYR A 59 113.407 -2.372 13.178 1.00 0.00 C ATOM 983 CE2 TYR A 59 111.773 -3.814 12.006 1.00 0.00 C ATOM 984 CZ TYR A 59 112.794 -3.649 12.991 1.00 0.00 C ATOM 985 OH TYR A 59 113.189 -4.722 13.764 1.00 0.00 O ATOM 0 H TYR A 59 111.451 0.576 12.981 1.00 0.00 H new ATOM 0 HA TYR A 59 109.996 1.305 10.424 1.00 0.00 H new ATOM 0 HB2 TYR A 59 111.227 -0.617 9.566 1.00 0.00 H new ATOM 0 HB3 TYR A 59 112.386 0.411 10.385 1.00 0.00 H new ATOM 0 HD1 TYR A 59 113.460 -0.293 12.521 1.00 0.00 H new ATOM 0 HD2 TYR A 59 110.592 -2.827 10.461 1.00 0.00 H new ATOM 0 HE1 TYR A 59 114.179 -2.247 13.923 1.00 0.00 H new ATOM 0 HE2 TYR A 59 111.310 -4.779 11.865 1.00 0.00 H new ATOM 0 HH TYR A 59 114.166 -4.725 13.845 1.00 0.00 H new ATOM 995 N ILE A 60 108.531 -0.884 10.537 1.00 0.00 N ATOM 996 CA ILE A 60 107.431 -1.863 10.805 1.00 0.00 C ATOM 997 C ILE A 60 107.912 -3.257 10.378 1.00 0.00 C ATOM 998 O ILE A 60 108.424 -3.423 9.286 1.00 0.00 O ATOM 999 CB ILE A 60 106.231 -1.398 9.958 1.00 0.00 C ATOM 1000 CG1 ILE A 60 105.808 0.021 10.364 1.00 0.00 C ATOM 1001 CG2 ILE A 60 105.034 -2.334 10.171 1.00 0.00 C ATOM 1002 CD1 ILE A 60 104.878 0.605 9.298 1.00 0.00 C ATOM 0 H ILE A 60 108.722 -0.721 9.548 1.00 0.00 H new ATOM 0 HA ILE A 60 107.150 -1.913 11.857 1.00 0.00 H new ATOM 0 HB ILE A 60 106.535 -1.412 8.911 1.00 0.00 H new ATOM 0 HG12 ILE A 60 105.302 -0.002 11.329 1.00 0.00 H new ATOM 0 HG13 ILE A 60 106.688 0.654 10.480 1.00 0.00 H new ATOM 0 HG21 ILE A 60 104.194 -1.993 9.566 1.00 0.00 H new ATOM 0 HG22 ILE A 60 105.307 -3.347 9.875 1.00 0.00 H new ATOM 0 HG23 ILE A 60 104.750 -2.328 11.223 1.00 0.00 H new ATOM 0 HD11 ILE A 60 104.579 1.612 9.588 1.00 0.00 H new ATOM 0 HD12 ILE A 60 105.399 0.643 8.341 1.00 0.00 H new ATOM 0 HD13 ILE A 60 103.992 -0.023 9.204 1.00 0.00 H new ATOM 1014 N GLU A 61 107.750 -4.238 11.235 1.00 0.00 N ATOM 1015 CA GLU A 61 108.199 -5.627 10.914 1.00 0.00 C ATOM 1016 C GLU A 61 106.990 -6.515 10.606 1.00 0.00 C ATOM 1017 O GLU A 61 105.953 -6.382 11.231 1.00 0.00 O ATOM 1018 CB GLU A 61 108.905 -6.114 12.180 1.00 0.00 C ATOM 1019 CG GLU A 61 109.838 -7.277 11.835 1.00 0.00 C ATOM 1020 CD GLU A 61 109.039 -8.582 11.791 1.00 0.00 C ATOM 1021 OE1 GLU A 61 108.244 -8.800 12.691 1.00 0.00 O ATOM 1022 OE2 GLU A 61 109.237 -9.343 10.858 1.00 0.00 O ATOM 0 H GLU A 61 107.320 -4.132 12.154 1.00 0.00 H new ATOM 0 HA GLU A 61 108.851 -5.659 10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 61 109.474 -5.299 12.627 1.00 0.00 H new ATOM 0 HB3 GLU A 61 108.169 -6.432 12.919 1.00 0.00 H new ATOM 0 HG2 GLU A 61 110.316 -7.099 10.872 1.00 0.00 H new ATOM 0 HG3 GLU A 61 110.633 -7.351 12.577 1.00 0.00 H new ATOM 1029 N THR A 62 107.126 -7.409 9.652 1.00 0.00 N ATOM 1030 CA THR A 62 106.011 -8.344 9.303 1.00 0.00 C ATOM 1031 C THR A 62 106.449 -9.802 9.482 1.00 0.00 C ATOM 1032 O THR A 62 107.555 -10.170 9.124 1.00 0.00 O ATOM 1033 CB THR A 62 105.686 -8.045 7.840 1.00 0.00 C ATOM 1034 OG1 THR A 62 106.885 -8.036 7.079 1.00 0.00 O ATOM 1035 CG2 THR A 62 105.006 -6.677 7.747 1.00 0.00 C ATOM 0 H THR A 62 107.972 -7.530 9.096 1.00 0.00 H new ATOM 0 HA THR A 62 105.143 -8.205 9.947 1.00 0.00 H new ATOM 0 HB THR A 62 105.019 -8.812 7.447 1.00 0.00 H new ATOM 0 HG1 THR A 62 107.299 -7.149 7.132 1.00 0.00 H new ATOM 0 HG21 THR A 62 104.771 -6.457 6.705 1.00 0.00 H new ATOM 0 HG22 THR A 62 104.086 -6.687 8.332 1.00 0.00 H new ATOM 0 HG23 THR A 62 105.676 -5.911 8.137 1.00 0.00 H new ATOM 1043 N GLU A 63 105.575 -10.618 10.025 1.00 0.00 N ATOM 1044 CA GLU A 63 105.962 -11.990 10.494 1.00 0.00 C ATOM 1045 C GLU A 63 106.117 -12.971 9.323 1.00 0.00 C ATOM 1046 O GLU A 63 105.804 -12.647 8.191 1.00 0.00 O ATOM 1047 CB GLU A 63 104.856 -12.453 11.460 1.00 0.00 C ATOM 1048 CG GLU A 63 103.486 -12.495 10.768 1.00 0.00 C ATOM 1049 CD GLU A 63 102.534 -13.381 11.575 1.00 0.00 C ATOM 1050 OE1 GLU A 63 101.864 -12.854 12.448 1.00 0.00 O ATOM 1051 OE2 GLU A 63 102.492 -14.569 11.307 1.00 0.00 O ATOM 0 H GLU A 63 104.592 -10.387 10.166 1.00 0.00 H new ATOM 0 HA GLU A 63 106.932 -11.962 10.990 1.00 0.00 H new ATOM 0 HB2 GLU A 63 105.100 -13.442 11.847 1.00 0.00 H new ATOM 0 HB3 GLU A 63 104.812 -11.778 12.315 1.00 0.00 H new ATOM 0 HG2 GLU A 63 103.078 -11.488 10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 63 103.590 -12.883 9.755 1.00 0.00 H new ATOM 1058 N ASP A 64 106.599 -14.163 9.607 1.00 0.00 N ATOM 1059 CA ASP A 64 106.829 -15.192 8.537 1.00 0.00 C ATOM 1060 C ASP A 64 105.479 -15.652 7.976 1.00 0.00 C ATOM 1061 O ASP A 64 104.525 -15.805 8.720 1.00 0.00 O ATOM 1062 CB ASP A 64 107.547 -16.374 9.211 1.00 0.00 C ATOM 1063 CG ASP A 64 108.887 -15.924 9.805 1.00 0.00 C ATOM 1064 OD1 ASP A 64 109.744 -15.512 9.043 1.00 0.00 O ATOM 1065 OD2 ASP A 64 109.029 -16.000 11.014 1.00 0.00 O ATOM 0 H ASP A 64 106.846 -14.469 10.548 1.00 0.00 H new ATOM 0 HA ASP A 64 107.423 -14.791 7.716 1.00 0.00 H new ATOM 0 HB2 ASP A 64 106.916 -16.790 9.997 1.00 0.00 H new ATOM 0 HB3 ASP A 64 107.714 -17.168 8.483 1.00 0.00 H new ATOM 1070 N PHE A 65 105.399 -15.870 6.681 1.00 0.00 N ATOM 1071 CA PHE A 65 104.100 -16.243 6.040 1.00 0.00 C ATOM 1072 C PHE A 65 104.304 -17.375 5.027 1.00 0.00 C ATOM 1073 O PHE A 65 105.421 -17.660 4.637 1.00 0.00 O ATOM 1074 CB PHE A 65 103.609 -14.964 5.350 1.00 0.00 C ATOM 1075 CG PHE A 65 104.545 -14.426 4.291 1.00 0.00 C ATOM 1076 CD1 PHE A 65 105.566 -13.489 4.643 1.00 0.00 C ATOM 1077 CD2 PHE A 65 104.408 -14.856 2.934 1.00 0.00 C ATOM 1078 CE1 PHE A 65 106.448 -12.983 3.639 1.00 0.00 C ATOM 1079 CE2 PHE A 65 105.289 -14.348 1.929 1.00 0.00 C ATOM 1080 CZ PHE A 65 106.309 -13.412 2.283 1.00 0.00 C ATOM 0 H PHE A 65 106.188 -15.804 6.038 1.00 0.00 H new ATOM 0 HA PHE A 65 103.375 -16.610 6.766 1.00 0.00 H new ATOM 0 HB2 PHE A 65 102.639 -15.161 4.894 1.00 0.00 H new ATOM 0 HB3 PHE A 65 103.455 -14.194 6.106 1.00 0.00 H new ATOM 0 HD1 PHE A 65 105.671 -13.164 5.668 1.00 0.00 H new ATOM 0 HD2 PHE A 65 103.638 -15.565 2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 65 107.220 -12.276 3.905 1.00 0.00 H new ATOM 0 HE2 PHE A 65 105.184 -14.671 0.904 1.00 0.00 H new ATOM 0 HZ PHE A 65 106.976 -13.028 1.525 1.00 0.00 H new ATOM 1090 N GLU A 66 103.232 -18.012 4.612 1.00 0.00 N ATOM 1091 CA GLU A 66 103.324 -19.102 3.592 1.00 0.00 C ATOM 1092 C GLU A 66 102.429 -18.787 2.389 1.00 0.00 C ATOM 1093 O GLU A 66 101.373 -18.196 2.536 1.00 0.00 O ATOM 1094 CB GLU A 66 102.835 -20.365 4.309 1.00 0.00 C ATOM 1095 CG GLU A 66 104.015 -21.065 4.994 1.00 0.00 C ATOM 1096 CD GLU A 66 103.521 -22.266 5.808 1.00 0.00 C ATOM 1097 OE1 GLU A 66 102.460 -22.170 6.405 1.00 0.00 O ATOM 1098 OE2 GLU A 66 104.223 -23.265 5.827 1.00 0.00 O ATOM 0 H GLU A 66 102.287 -17.818 4.943 1.00 0.00 H new ATOM 0 HA GLU A 66 104.338 -19.218 3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 66 102.077 -20.104 5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 66 102.365 -21.041 3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 66 104.735 -21.396 4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 66 104.534 -20.363 5.647 1.00 0.00 H new ATOM 1105 N PHE A 67 102.857 -19.182 1.213 1.00 0.00 N ATOM 1106 CA PHE A 67 102.030 -19.007 -0.019 1.00 0.00 C ATOM 1107 C PHE A 67 102.351 -20.129 -1.010 1.00 0.00 C ATOM 1108 O PHE A 67 103.496 -20.507 -1.167 1.00 0.00 O ATOM 1109 CB PHE A 67 102.443 -17.647 -0.586 1.00 0.00 C ATOM 1110 CG PHE A 67 101.503 -17.124 -1.646 1.00 0.00 C ATOM 1111 CD1 PHE A 67 100.345 -16.377 -1.267 1.00 0.00 C ATOM 1112 CD2 PHE A 67 101.771 -17.377 -3.027 1.00 0.00 C ATOM 1113 CE1 PHE A 67 99.455 -15.882 -2.269 1.00 0.00 C ATOM 1114 CE2 PHE A 67 100.880 -16.881 -4.029 1.00 0.00 C ATOM 1115 CZ PHE A 67 99.722 -16.135 -3.650 1.00 0.00 C ATOM 0 H PHE A 67 103.762 -19.626 1.055 1.00 0.00 H new ATOM 0 HA PHE A 67 100.959 -19.047 0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 67 102.497 -16.924 0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 67 103.445 -17.728 -1.008 1.00 0.00 H new ATOM 0 HD1 PHE A 67 100.143 -16.187 -0.223 1.00 0.00 H new ATOM 0 HD2 PHE A 67 102.646 -17.942 -3.313 1.00 0.00 H new ATOM 0 HE1 PHE A 67 98.580 -15.317 -1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 67 101.082 -17.070 -5.073 1.00 0.00 H new ATOM 0 HZ PHE A 67 99.048 -15.762 -4.407 1.00 0.00 H new ATOM 1125 N ASN A 68 101.347 -20.668 -1.673 1.00 0.00 N ATOM 1126 CA ASN A 68 101.533 -21.815 -2.633 1.00 0.00 C ATOM 1127 C ASN A 68 102.303 -22.985 -1.996 1.00 0.00 C ATOM 1128 O ASN A 68 103.006 -23.709 -2.680 1.00 0.00 O ATOM 1129 CB ASN A 68 102.309 -21.249 -3.831 1.00 0.00 C ATOM 1130 CG ASN A 68 101.347 -20.608 -4.838 1.00 0.00 C ATOM 1131 OD1 ASN A 68 100.199 -20.994 -4.943 1.00 0.00 O ATOM 1132 ND2 ASN A 68 101.776 -19.636 -5.597 1.00 0.00 N ATOM 0 H ASN A 68 100.381 -20.352 -1.586 1.00 0.00 H new ATOM 0 HA ASN A 68 100.565 -22.220 -2.930 1.00 0.00 H new ATOM 0 HB2 ASN A 68 103.032 -20.509 -3.487 1.00 0.00 H new ATOM 0 HB3 ASN A 68 102.874 -22.045 -4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 68 101.149 -19.203 -6.275 1.00 0.00 H new ATOM 0 HD22 ASN A 68 102.739 -19.309 -5.512 1.00 0.00 H new ATOM 1139 N GLY A 69 102.166 -23.162 -0.701 1.00 0.00 N ATOM 1140 CA GLY A 69 102.821 -24.311 0.000 1.00 0.00 C ATOM 1141 C GLY A 69 104.323 -24.064 0.223 1.00 0.00 C ATOM 1142 O GLY A 69 105.053 -24.999 0.495 1.00 0.00 O ATOM 0 H GLY A 69 101.621 -22.550 -0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 69 102.333 -24.476 0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 69 102.685 -25.220 -0.587 1.00 0.00 H new ATOM 1146 N LYS A 70 104.783 -22.834 0.111 1.00 0.00 N ATOM 1147 CA LYS A 70 106.233 -22.527 0.310 1.00 0.00 C ATOM 1148 C LYS A 70 106.391 -21.495 1.431 1.00 0.00 C ATOM 1149 O LYS A 70 105.577 -20.599 1.559 1.00 0.00 O ATOM 1150 CB LYS A 70 106.706 -21.947 -1.023 1.00 0.00 C ATOM 1151 CG LYS A 70 106.680 -23.037 -2.096 1.00 0.00 C ATOM 1152 CD LYS A 70 107.255 -22.485 -3.402 1.00 0.00 C ATOM 1153 CE LYS A 70 107.116 -23.536 -4.506 1.00 0.00 C ATOM 1154 NZ LYS A 70 107.359 -22.794 -5.775 1.00 0.00 N ATOM 0 H LYS A 70 104.204 -22.024 -0.113 1.00 0.00 H new ATOM 0 HA LYS A 70 106.811 -23.407 0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 70 106.064 -21.117 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 70 107.715 -21.548 -0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 70 107.260 -23.899 -1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 70 105.658 -23.382 -2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 70 106.730 -21.573 -3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 70 108.304 -22.221 -3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 70 107.837 -24.343 -4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 70 106.125 -23.989 -4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 107.281 -23.448 -6.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 106.654 -22.036 -5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 108.312 -22.379 -5.757 1.00 0.00 H new ATOM 1168 N ARG A 71 107.428 -21.623 2.226 1.00 0.00 N ATOM 1169 CA ARG A 71 107.620 -20.710 3.396 1.00 0.00 C ATOM 1170 C ARG A 71 108.502 -19.519 3.007 1.00 0.00 C ATOM 1171 O ARG A 71 109.552 -19.693 2.413 1.00 0.00 O ATOM 1172 CB ARG A 71 108.307 -21.560 4.467 1.00 0.00 C ATOM 1173 CG ARG A 71 107.338 -22.636 4.961 1.00 0.00 C ATOM 1174 CD ARG A 71 108.015 -23.483 6.044 1.00 0.00 C ATOM 1175 NE ARG A 71 107.031 -24.560 6.394 1.00 0.00 N ATOM 1176 CZ ARG A 71 107.396 -25.726 6.894 1.00 0.00 C ATOM 1177 NH1 ARG A 71 108.646 -26.034 7.157 1.00 0.00 N ATOM 1178 NH2 ARG A 71 106.471 -26.609 7.152 1.00 0.00 N ATOM 0 H ARG A 71 108.156 -22.328 2.112 1.00 0.00 H new ATOM 0 HA ARG A 71 106.674 -20.300 3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 71 109.205 -22.024 4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 71 108.624 -20.931 5.299 1.00 0.00 H new ATOM 0 HG2 ARG A 71 106.436 -22.171 5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 71 107.029 -23.270 4.130 1.00 0.00 H new ATOM 0 HD2 ARG A 71 108.949 -23.910 5.679 1.00 0.00 H new ATOM 0 HD3 ARG A 71 108.260 -22.878 6.917 1.00 0.00 H new ATOM 0 HE ARG A 71 106.038 -24.384 6.239 1.00 0.00 H new ATOM 0 HH11 ARG A 71 109.387 -25.357 6.975 1.00 0.00 H new ATOM 0 HH12 ARG A 71 108.875 -26.950 7.543 1.00 0.00 H new ATOM 0 HH21 ARG A 71 105.492 -26.391 6.967 1.00 0.00 H new ATOM 0 HH22 ARG A 71 106.727 -27.518 7.539 1.00 0.00 H new ATOM 1192 N PHE A 72 108.071 -18.324 3.339 1.00 0.00 N ATOM 1193 CA PHE A 72 108.878 -17.098 3.058 1.00 0.00 C ATOM 1194 C PHE A 72 109.191 -16.378 4.372 1.00 0.00 C ATOM 1195 O PHE A 72 108.363 -16.339 5.267 1.00 0.00 O ATOM 1196 CB PHE A 72 107.989 -16.234 2.163 1.00 0.00 C ATOM 1197 CG PHE A 72 107.670 -16.877 0.834 1.00 0.00 C ATOM 1198 CD1 PHE A 72 106.676 -17.902 0.755 1.00 0.00 C ATOM 1199 CD2 PHE A 72 108.364 -16.463 -0.344 1.00 0.00 C ATOM 1200 CE1 PHE A 72 106.376 -18.511 -0.501 1.00 0.00 C ATOM 1201 CE2 PHE A 72 108.063 -17.072 -1.602 1.00 0.00 C ATOM 1202 CZ PHE A 72 107.069 -18.097 -1.681 1.00 0.00 C ATOM 0 H PHE A 72 107.179 -18.147 3.800 1.00 0.00 H new ATOM 0 HA PHE A 72 109.831 -17.322 2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 72 107.058 -16.019 2.687 1.00 0.00 H new ATOM 0 HB3 PHE A 72 108.483 -15.279 1.987 1.00 0.00 H new ATOM 0 HD1 PHE A 72 106.152 -18.216 1.646 1.00 0.00 H new ATOM 0 HD2 PHE A 72 109.116 -15.690 -0.284 1.00 0.00 H new ATOM 0 HE1 PHE A 72 105.625 -19.285 -0.560 1.00 0.00 H new ATOM 0 HE2 PHE A 72 108.586 -16.758 -2.493 1.00 0.00 H new ATOM 0 HZ PHE A 72 106.842 -18.558 -2.631 1.00 0.00 H new ATOM 1212 N PHE A 73 110.367 -15.806 4.477 1.00 0.00 N ATOM 1213 CA PHE A 73 110.868 -15.311 5.798 1.00 0.00 C ATOM 1214 C PHE A 73 110.359 -13.891 6.065 1.00 0.00 C ATOM 1215 O PHE A 73 110.018 -13.169 5.145 1.00 0.00 O ATOM 1216 CB PHE A 73 112.395 -15.327 5.702 1.00 0.00 C ATOM 1217 CG PHE A 73 112.974 -16.713 5.548 1.00 0.00 C ATOM 1218 CD1 PHE A 73 113.215 -17.519 6.704 1.00 0.00 C ATOM 1219 CD2 PHE A 73 113.280 -17.220 4.247 1.00 0.00 C ATOM 1220 CE1 PHE A 73 113.763 -18.831 6.559 1.00 0.00 C ATOM 1221 CE2 PHE A 73 113.828 -18.533 4.102 1.00 0.00 C ATOM 1222 CZ PHE A 73 114.069 -19.338 5.258 1.00 0.00 C ATOM 0 H PHE A 73 111.007 -15.660 3.696 1.00 0.00 H new ATOM 0 HA PHE A 73 110.515 -15.935 6.619 1.00 0.00 H new ATOM 0 HB2 PHE A 73 112.704 -14.716 4.854 1.00 0.00 H new ATOM 0 HB3 PHE A 73 112.812 -14.865 6.597 1.00 0.00 H new ATOM 0 HD1 PHE A 73 112.983 -17.136 7.687 1.00 0.00 H new ATOM 0 HD2 PHE A 73 113.097 -16.612 3.374 1.00 0.00 H new ATOM 0 HE1 PHE A 73 113.946 -19.439 7.432 1.00 0.00 H new ATOM 0 HE2 PHE A 73 114.060 -18.916 3.119 1.00 0.00 H new ATOM 0 HZ PHE A 73 114.482 -20.330 5.149 1.00 0.00 H new ATOM 1232 N GLY A 74 110.313 -13.502 7.319 1.00 0.00 N ATOM 1233 CA GLY A 74 109.766 -12.167 7.707 1.00 0.00 C ATOM 1234 C GLY A 74 110.668 -11.053 7.168 1.00 0.00 C ATOM 1235 O GLY A 74 111.824 -11.283 6.861 1.00 0.00 O ATOM 0 H GLY A 74 110.639 -14.068 8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 74 108.756 -12.051 7.314 1.00 0.00 H new ATOM 0 HA3 GLY A 74 109.695 -12.096 8.792 1.00 0.00 H new ATOM 1239 N VAL A 75 110.136 -9.858 7.060 1.00 0.00 N ATOM 1240 CA VAL A 75 110.892 -8.732 6.427 1.00 0.00 C ATOM 1241 C VAL A 75 110.678 -7.434 7.213 1.00 0.00 C ATOM 1242 O VAL A 75 109.685 -7.287 7.904 1.00 0.00 O ATOM 1243 CB VAL A 75 110.366 -8.602 4.986 1.00 0.00 C ATOM 1244 CG1 VAL A 75 110.687 -9.878 4.204 1.00 0.00 C ATOM 1245 CG2 VAL A 75 108.848 -8.369 4.961 1.00 0.00 C ATOM 0 H VAL A 75 109.201 -9.614 7.387 1.00 0.00 H new ATOM 0 HA VAL A 75 111.964 -8.927 6.427 1.00 0.00 H new ATOM 0 HB VAL A 75 110.856 -7.743 4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 75 110.314 -9.783 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 75 111.766 -10.030 4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 75 110.210 -10.731 4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 75 108.510 -8.282 3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 75 108.343 -9.209 5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 75 108.612 -7.451 5.499 1.00 0.00 H new ATOM 1255 N LYS A 76 111.604 -6.510 7.106 1.00 0.00 N ATOM 1256 CA LYS A 76 111.461 -5.185 7.782 1.00 0.00 C ATOM 1257 C LYS A 76 111.345 -4.080 6.727 1.00 0.00 C ATOM 1258 O LYS A 76 112.054 -4.099 5.737 1.00 0.00 O ATOM 1259 CB LYS A 76 112.743 -5.007 8.599 1.00 0.00 C ATOM 1260 CG LYS A 76 112.801 -6.053 9.715 1.00 0.00 C ATOM 1261 CD LYS A 76 114.041 -5.811 10.578 1.00 0.00 C ATOM 1262 CE LYS A 76 114.140 -6.899 11.649 1.00 0.00 C ATOM 1263 NZ LYS A 76 115.373 -6.570 12.418 1.00 0.00 N ATOM 0 H LYS A 76 112.465 -6.622 6.570 1.00 0.00 H new ATOM 0 HA LYS A 76 110.572 -5.134 8.411 1.00 0.00 H new ATOM 0 HB2 LYS A 76 113.614 -5.106 7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 76 112.776 -4.005 9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 76 111.902 -5.996 10.328 1.00 0.00 H new ATOM 0 HG3 LYS A 76 112.833 -7.055 9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 76 114.936 -5.816 9.956 1.00 0.00 H new ATOM 0 HD3 LYS A 76 113.984 -4.829 11.047 1.00 0.00 H new ATOM 0 HE2 LYS A 76 113.261 -6.900 12.294 1.00 0.00 H new ATOM 0 HE3 LYS A 76 114.207 -7.890 11.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 115.338 -7.036 13.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 116.208 -6.903 11.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 115.436 -5.540 12.550 1.00 0.00 H new ATOM 1277 N VAL A 77 110.462 -3.131 6.940 1.00 0.00 N ATOM 1278 CA VAL A 77 110.234 -2.043 5.934 1.00 0.00 C ATOM 1279 C VAL A 77 110.196 -0.689 6.655 1.00 0.00 C ATOM 1280 O VAL A 77 109.635 -0.578 7.730 1.00 0.00 O ATOM 1281 CB VAL A 77 108.884 -2.364 5.266 1.00 0.00 C ATOM 1282 CG1 VAL A 77 108.553 -1.320 4.191 1.00 0.00 C ATOM 1283 CG2 VAL A 77 108.933 -3.741 4.590 1.00 0.00 C ATOM 0 H VAL A 77 109.884 -3.064 7.777 1.00 0.00 H new ATOM 0 HA VAL A 77 111.026 -1.988 5.187 1.00 0.00 H new ATOM 0 HB VAL A 77 108.121 -2.355 6.045 1.00 0.00 H new ATOM 0 HG11 VAL A 77 107.596 -1.563 3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 77 108.495 -0.332 4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.333 -1.322 3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 77 107.971 -3.952 4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 77 109.714 -3.745 3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 77 109.149 -4.505 5.336 1.00 0.00 H new ATOM 1293 N LEU A 78 110.786 0.326 6.063 1.00 0.00 N ATOM 1294 CA LEU A 78 110.770 1.693 6.672 1.00 0.00 C ATOM 1295 C LEU A 78 110.492 2.754 5.586 1.00 0.00 C ATOM 1296 O LEU A 78 111.206 2.778 4.601 1.00 0.00 O ATOM 1297 CB LEU A 78 112.177 1.855 7.255 1.00 0.00 C ATOM 1298 CG LEU A 78 112.307 3.179 8.015 1.00 0.00 C ATOM 1299 CD1 LEU A 78 111.446 3.150 9.281 1.00 0.00 C ATOM 1300 CD2 LEU A 78 113.769 3.378 8.415 1.00 0.00 C ATOM 0 H LEU A 78 111.283 0.262 5.174 1.00 0.00 H new ATOM 0 HA LEU A 78 109.994 1.817 7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 78 112.395 1.024 7.926 1.00 0.00 H new ATOM 0 HB3 LEU A 78 112.914 1.818 6.452 1.00 0.00 H new ATOM 0 HG LEU A 78 111.972 3.994 7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 78 111.547 4.097 9.812 1.00 0.00 H new ATOM 0 HD12 LEU A 78 110.402 2.997 9.008 1.00 0.00 H new ATOM 0 HD13 LEU A 78 111.775 2.335 9.926 1.00 0.00 H new ATOM 0 HD21 LEU A 78 113.873 4.318 8.957 1.00 0.00 H new ATOM 0 HD22 LEU A 78 114.087 2.554 9.054 1.00 0.00 H new ATOM 0 HD23 LEU A 78 114.391 3.404 7.520 1.00 0.00 H new ATOM 1312 N PRO A 79 109.484 3.596 5.771 1.00 0.00 N ATOM 1313 CA PRO A 79 109.188 4.677 4.774 1.00 0.00 C ATOM 1314 C PRO A 79 110.348 5.677 4.668 1.00 0.00 C ATOM 1315 O PRO A 79 111.055 5.912 5.631 1.00 0.00 O ATOM 1316 CB PRO A 79 107.943 5.361 5.349 1.00 0.00 C ATOM 1317 CG PRO A 79 107.335 4.316 6.216 1.00 0.00 C ATOM 1318 CD PRO A 79 108.503 3.650 6.876 1.00 0.00 C ATOM 0 HA PRO A 79 109.042 4.286 3.767 1.00 0.00 H new ATOM 0 HB2 PRO A 79 108.203 6.253 5.919 1.00 0.00 H new ATOM 0 HB3 PRO A 79 107.259 5.675 4.561 1.00 0.00 H new ATOM 0 HG2 PRO A 79 106.660 4.754 6.951 1.00 0.00 H new ATOM 0 HG3 PRO A 79 106.751 3.605 5.631 1.00 0.00 H new ATOM 0 HD2 PRO A 79 108.875 4.224 7.725 1.00 0.00 H new ATOM 0 HD3 PRO A 79 108.251 2.657 7.248 1.00 0.00 H new ATOM 1326 N ILE A 80 110.533 6.256 3.502 1.00 0.00 N ATOM 1327 CA ILE A 80 111.513 7.377 3.334 1.00 0.00 C ATOM 1328 C ILE A 80 110.957 8.429 2.364 1.00 0.00 C ATOM 1329 O ILE A 80 109.951 8.204 1.715 1.00 0.00 O ATOM 1330 CB ILE A 80 112.808 6.753 2.779 1.00 0.00 C ATOM 1331 CG1 ILE A 80 112.552 6.035 1.442 1.00 0.00 C ATOM 1332 CG2 ILE A 80 113.376 5.759 3.798 1.00 0.00 C ATOM 1333 CD1 ILE A 80 113.882 5.650 0.788 1.00 0.00 C ATOM 0 H ILE A 80 110.039 5.994 2.649 1.00 0.00 H new ATOM 0 HA ILE A 80 111.702 7.881 4.282 1.00 0.00 H new ATOM 0 HB ILE A 80 113.526 7.554 2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 80 111.948 5.143 1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 80 111.984 6.684 0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 80 114.292 5.318 3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 80 113.595 6.279 4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 80 112.645 4.972 3.985 1.00 0.00 H new ATOM 0 HD11 ILE A 80 113.689 5.143 -0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 80 114.471 6.549 0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 80 114.434 4.984 1.451 1.00 0.00 H new ATOM 1345 N LYS A 81 111.612 9.561 2.274 1.00 0.00 N ATOM 1346 CA LYS A 81 111.317 10.539 1.181 1.00 0.00 C ATOM 1347 C LYS A 81 112.543 10.661 0.273 1.00 0.00 C ATOM 1348 O LYS A 81 113.647 10.839 0.752 1.00 0.00 O ATOM 1349 CB LYS A 81 111.033 11.869 1.887 1.00 0.00 C ATOM 1350 CG LYS A 81 109.756 11.755 2.724 1.00 0.00 C ATOM 1351 CD LYS A 81 108.538 11.687 1.800 1.00 0.00 C ATOM 1352 CE LYS A 81 107.258 11.770 2.637 1.00 0.00 C ATOM 1353 NZ LYS A 81 107.063 13.224 2.898 1.00 0.00 N ATOM 0 H LYS A 81 112.347 9.852 2.919 1.00 0.00 H new ATOM 0 HA LYS A 81 110.474 10.234 0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 81 111.874 12.138 2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 81 110.925 12.665 1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 81 109.799 10.864 3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 81 109.670 12.612 3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 81 108.568 12.505 1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 81 108.553 10.759 1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 81 106.408 11.347 2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 81 107.358 11.212 3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 106.801 13.366 3.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 107.946 13.735 2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 106.305 13.588 2.286 1.00 0.00 H new ATOM 1367 N ILE A 82 112.349 10.567 -1.022 1.00 0.00 N ATOM 1368 CA ILE A 82 113.501 10.561 -1.980 1.00 0.00 C ATOM 1369 C ILE A 82 113.563 11.921 -2.686 1.00 0.00 C ATOM 1370 O ILE A 82 112.595 12.345 -3.291 1.00 0.00 O ATOM 1371 CB ILE A 82 113.219 9.419 -2.976 1.00 0.00 C ATOM 1372 CG1 ILE A 82 113.113 8.077 -2.238 1.00 0.00 C ATOM 1373 CG2 ILE A 82 114.355 9.312 -4.002 1.00 0.00 C ATOM 1374 CD1 ILE A 82 112.482 7.031 -3.160 1.00 0.00 C ATOM 0 H ILE A 82 111.431 10.493 -1.460 1.00 0.00 H new ATOM 0 HA ILE A 82 114.461 10.403 -1.488 1.00 0.00 H new ATOM 0 HB ILE A 82 112.279 9.642 -3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 82 114.102 7.747 -1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 82 112.511 8.193 -1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 82 114.141 8.501 -4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 82 114.438 10.250 -4.552 1.00 0.00 H new ATOM 0 HG23 ILE A 82 115.293 9.109 -3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 82 112.408 6.079 -2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 82 111.486 7.360 -3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 82 113.102 6.907 -4.048 1.00 0.00 H new ATOM 1386 N LEU A 83 114.692 12.586 -2.604 1.00 0.00 N ATOM 1387 CA LEU A 83 114.842 13.938 -3.225 1.00 0.00 C ATOM 1388 C LEU A 83 115.756 13.858 -4.451 1.00 0.00 C ATOM 1389 O LEU A 83 116.926 13.535 -4.330 1.00 0.00 O ATOM 1390 CB LEU A 83 115.480 14.812 -2.140 1.00 0.00 C ATOM 1391 CG LEU A 83 114.516 14.977 -0.961 1.00 0.00 C ATOM 1392 CD1 LEU A 83 115.256 15.618 0.215 1.00 0.00 C ATOM 1393 CD2 LEU A 83 113.349 15.878 -1.375 1.00 0.00 C ATOM 0 H LEU A 83 115.525 12.243 -2.126 1.00 0.00 H new ATOM 0 HA LEU A 83 113.887 14.342 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 83 116.411 14.359 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 83 115.734 15.789 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 83 114.135 13.999 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.571 15.736 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 83 116.088 14.980 0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 83 115.636 16.595 -0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 83 112.664 15.995 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.731 16.855 -1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 83 112.821 15.426 -2.214 1.00 0.00 H new ATOM 1405 N ILE A 84 115.224 14.148 -5.615 1.00 0.00 N ATOM 1406 CA ILE A 84 116.048 14.169 -6.864 1.00 0.00 C ATOM 1407 C ILE A 84 115.778 15.491 -7.595 1.00 0.00 C ATOM 1408 O ILE A 84 114.647 15.791 -7.930 1.00 0.00 O ATOM 1409 CB ILE A 84 115.591 12.957 -7.700 1.00 0.00 C ATOM 1410 CG1 ILE A 84 115.820 11.655 -6.920 1.00 0.00 C ATOM 1411 CG2 ILE A 84 116.393 12.880 -9.006 1.00 0.00 C ATOM 1412 CD1 ILE A 84 115.059 10.508 -7.590 1.00 0.00 C ATOM 0 H ILE A 84 114.239 14.374 -5.753 1.00 0.00 H new ATOM 0 HA ILE A 84 117.119 14.105 -6.671 1.00 0.00 H new ATOM 0 HB ILE A 84 114.530 13.080 -7.918 1.00 0.00 H new ATOM 0 HG12 ILE A 84 116.885 11.425 -6.884 1.00 0.00 H new ATOM 0 HG13 ILE A 84 115.484 11.774 -5.890 1.00 0.00 H new ATOM 0 HG21 ILE A 84 116.060 12.020 -9.587 1.00 0.00 H new ATOM 0 HG22 ILE A 84 116.236 13.791 -9.584 1.00 0.00 H new ATOM 0 HG23 ILE A 84 117.453 12.775 -8.776 1.00 0.00 H new ATOM 0 HD11 ILE A 84 115.225 9.586 -7.032 1.00 0.00 H new ATOM 0 HD12 ILE A 84 113.993 10.737 -7.603 1.00 0.00 H new ATOM 0 HD13 ILE A 84 115.416 10.383 -8.612 1.00 0.00 H new ATOM 1424 N GLY A 85 116.809 16.273 -7.832 1.00 0.00 N ATOM 1425 CA GLY A 85 116.641 17.604 -8.496 1.00 0.00 C ATOM 1426 C GLY A 85 115.823 18.536 -7.595 1.00 0.00 C ATOM 1427 O GLY A 85 116.217 18.818 -6.477 1.00 0.00 O ATOM 0 H GLY A 85 117.772 16.039 -7.589 1.00 0.00 H new ATOM 0 HA2 GLY A 85 117.617 18.045 -8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 85 116.141 17.481 -9.456 1.00 0.00 H new ATOM 1431 N ASN A 86 114.698 19.007 -8.083 1.00 0.00 N ATOM 1432 CA ASN A 86 113.783 19.849 -7.251 1.00 0.00 C ATOM 1433 C ASN A 86 112.473 19.115 -6.922 1.00 0.00 C ATOM 1434 O ASN A 86 111.509 19.750 -6.531 1.00 0.00 O ATOM 1435 CB ASN A 86 113.498 21.080 -8.114 1.00 0.00 C ATOM 1436 CG ASN A 86 112.808 22.151 -7.267 1.00 0.00 C ATOM 1437 OD1 ASN A 86 111.620 22.371 -7.397 1.00 0.00 O ATOM 1438 ND2 ASN A 86 113.506 22.829 -6.398 1.00 0.00 N ATOM 0 H ASN A 86 114.373 18.840 -9.035 1.00 0.00 H new ATOM 0 HA ASN A 86 114.235 20.099 -6.291 1.00 0.00 H new ATOM 0 HB2 ASN A 86 114.428 21.471 -8.526 1.00 0.00 H new ATOM 0 HB3 ASN A 86 112.865 20.806 -8.958 1.00 0.00 H new ATOM 0 HD21 ASN A 86 113.055 23.544 -5.828 1.00 0.00 H new ATOM 0 HD22 ASN A 86 114.503 22.644 -6.289 1.00 0.00 H new ATOM 1445 N LYS A 87 112.428 17.807 -7.072 1.00 0.00 N ATOM 1446 CA LYS A 87 111.153 17.048 -6.871 1.00 0.00 C ATOM 1447 C LYS A 87 111.311 16.024 -5.745 1.00 0.00 C ATOM 1448 O LYS A 87 112.370 15.445 -5.578 1.00 0.00 O ATOM 1449 CB LYS A 87 110.901 16.337 -8.203 1.00 0.00 C ATOM 1450 CG LYS A 87 110.582 17.371 -9.287 1.00 0.00 C ATOM 1451 CD LYS A 87 110.218 16.651 -10.586 1.00 0.00 C ATOM 1452 CE LYS A 87 110.008 17.680 -11.699 1.00 0.00 C ATOM 1453 NZ LYS A 87 109.831 16.875 -12.940 1.00 0.00 N ATOM 0 H LYS A 87 113.230 17.231 -7.328 1.00 0.00 H new ATOM 0 HA LYS A 87 110.328 17.703 -6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 87 111.778 15.756 -8.488 1.00 0.00 H new ATOM 0 HB3 LYS A 87 110.073 15.635 -8.101 1.00 0.00 H new ATOM 0 HG2 LYS A 87 109.756 18.006 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 87 111.441 18.022 -9.448 1.00 0.00 H new ATOM 0 HD2 LYS A 87 111.011 15.956 -10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 87 109.312 16.061 -10.446 1.00 0.00 H new ATOM 0 HE2 LYS A 87 109.134 18.300 -11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 87 110.863 18.351 -11.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 109.682 17.512 -13.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 110.682 16.300 -13.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 109.006 16.251 -12.834 1.00 0.00 H new ATOM 1467 N LYS A 88 110.264 15.805 -4.980 1.00 0.00 N ATOM 1468 CA LYS A 88 110.299 14.791 -3.880 1.00 0.00 C ATOM 1469 C LYS A 88 109.183 13.756 -4.075 1.00 0.00 C ATOM 1470 O LYS A 88 108.040 14.110 -4.304 1.00 0.00 O ATOM 1471 CB LYS A 88 110.125 15.576 -2.568 1.00 0.00 C ATOM 1472 CG LYS A 88 108.805 16.358 -2.542 1.00 0.00 C ATOM 1473 CD LYS A 88 108.691 17.120 -1.219 1.00 0.00 C ATOM 1474 CE LYS A 88 109.662 18.302 -1.224 1.00 0.00 C ATOM 1475 NZ LYS A 88 109.324 19.082 -0.001 1.00 0.00 N ATOM 0 H LYS A 88 109.375 16.295 -5.075 1.00 0.00 H new ATOM 0 HA LYS A 88 111.236 14.234 -3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 88 110.155 14.886 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 88 110.959 16.267 -2.444 1.00 0.00 H new ATOM 0 HG2 LYS A 88 108.765 17.054 -3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 88 107.963 15.675 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 88 107.670 17.475 -1.079 1.00 0.00 H new ATOM 0 HD3 LYS A 88 108.915 16.456 -0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 88 110.698 17.962 -1.202 1.00 0.00 H new ATOM 0 HE3 LYS A 88 109.544 18.907 -2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 109.949 19.911 0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 108.334 19.398 -0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 109.453 18.483 0.839 1.00 0.00 H new ATOM 1489 N ILE A 89 109.522 12.490 -3.989 1.00 0.00 N ATOM 1490 CA ILE A 89 108.508 11.399 -4.154 1.00 0.00 C ATOM 1491 C ILE A 89 108.584 10.463 -2.939 1.00 0.00 C ATOM 1492 O ILE A 89 109.654 10.235 -2.404 1.00 0.00 O ATOM 1493 CB ILE A 89 108.883 10.665 -5.456 1.00 0.00 C ATOM 1494 CG1 ILE A 89 108.840 11.633 -6.647 1.00 0.00 C ATOM 1495 CG2 ILE A 89 107.894 9.525 -5.732 1.00 0.00 C ATOM 1496 CD1 ILE A 89 109.556 11.005 -7.846 1.00 0.00 C ATOM 0 H ILE A 89 110.471 12.163 -3.809 1.00 0.00 H new ATOM 0 HA ILE A 89 107.487 11.776 -4.213 1.00 0.00 H new ATOM 0 HB ILE A 89 109.890 10.265 -5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 89 107.806 11.860 -6.906 1.00 0.00 H new ATOM 0 HG13 ILE A 89 109.316 12.576 -6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 89 108.173 9.017 -6.655 1.00 0.00 H new ATOM 0 HG22 ILE A 89 107.917 8.815 -4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 89 106.888 9.932 -5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 89 109.524 11.694 -8.690 1.00 0.00 H new ATOM 0 HD12 ILE A 89 110.594 10.800 -7.584 1.00 0.00 H new ATOM 0 HD13 ILE A 89 109.060 10.073 -8.119 1.00 0.00 H new ATOM 1508 N ASP A 90 107.457 9.936 -2.513 1.00 0.00 N ATOM 1509 CA ASP A 90 107.444 8.974 -1.362 1.00 0.00 C ATOM 1510 C ASP A 90 108.000 7.618 -1.807 1.00 0.00 C ATOM 1511 O ASP A 90 107.665 7.135 -2.874 1.00 0.00 O ATOM 1512 CB ASP A 90 105.979 8.832 -0.937 1.00 0.00 C ATOM 1513 CG ASP A 90 105.476 10.163 -0.375 1.00 0.00 C ATOM 1514 OD1 ASP A 90 105.585 11.158 -1.072 1.00 0.00 O ATOM 1515 OD2 ASP A 90 104.989 10.166 0.743 1.00 0.00 O ATOM 0 H ASP A 90 106.541 10.133 -2.916 1.00 0.00 H new ATOM 0 HA ASP A 90 108.062 9.330 -0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 90 105.370 8.532 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 90 105.882 8.049 -0.185 1.00 0.00 H new ATOM 1520 N GLY A 91 108.838 7.015 -0.995 1.00 0.00 N ATOM 1521 CA GLY A 91 109.396 5.666 -1.318 1.00 0.00 C ATOM 1522 C GLY A 91 109.599 4.882 -0.021 1.00 0.00 C ATOM 1523 O GLY A 91 109.100 5.273 1.019 1.00 0.00 O ATOM 0 H GLY A 91 109.162 7.408 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 91 108.718 5.128 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 91 110.343 5.768 -1.847 1.00 0.00 H new ATOM 1527 N ALA A 92 110.328 3.791 -0.084 1.00 0.00 N ATOM 1528 CA ALA A 92 110.582 2.962 1.135 1.00 0.00 C ATOM 1529 C ALA A 92 111.820 2.084 0.932 1.00 0.00 C ATOM 1530 O ALA A 92 112.181 1.777 -0.188 1.00 0.00 O ATOM 1531 CB ALA A 92 109.327 2.102 1.299 1.00 0.00 C ATOM 0 H ALA A 92 110.761 3.438 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 92 110.773 3.573 2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 92 109.436 1.463 2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 92 108.458 2.747 1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 92 109.192 1.482 0.413 1.00 0.00 H new ATOM 1537 N ILE A 93 112.456 1.688 2.010 1.00 0.00 N ATOM 1538 CA ILE A 93 113.647 0.783 1.921 1.00 0.00 C ATOM 1539 C ILE A 93 113.244 -0.602 2.442 1.00 0.00 C ATOM 1540 O ILE A 93 112.492 -0.706 3.396 1.00 0.00 O ATOM 1541 CB ILE A 93 114.737 1.409 2.815 1.00 0.00 C ATOM 1542 CG1 ILE A 93 115.074 2.831 2.350 1.00 0.00 C ATOM 1543 CG2 ILE A 93 116.019 0.569 2.749 1.00 0.00 C ATOM 1544 CD1 ILE A 93 115.873 3.553 3.439 1.00 0.00 C ATOM 0 H ILE A 93 112.197 1.957 2.959 1.00 0.00 H new ATOM 0 HA ILE A 93 114.013 0.672 0.900 1.00 0.00 H new ATOM 0 HB ILE A 93 114.353 1.438 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 93 115.651 2.795 1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 93 114.158 3.380 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 93 116.782 1.019 3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 93 115.809 -0.443 3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 93 116.378 0.533 1.720 1.00 0.00 H new ATOM 0 HD11 ILE A 93 116.111 4.563 3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 93 115.281 3.602 4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 93 116.797 3.008 3.634 1.00 0.00 H new ATOM 1556 N VAL A 94 113.743 -1.645 1.818 1.00 0.00 N ATOM 1557 CA VAL A 94 113.352 -3.039 2.204 1.00 0.00 C ATOM 1558 C VAL A 94 114.610 -3.822 2.607 1.00 0.00 C ATOM 1559 O VAL A 94 115.601 -3.811 1.899 1.00 0.00 O ATOM 1560 CB VAL A 94 112.688 -3.652 0.954 1.00 0.00 C ATOM 1561 CG1 VAL A 94 112.219 -5.083 1.244 1.00 0.00 C ATOM 1562 CG2 VAL A 94 111.463 -2.826 0.540 1.00 0.00 C ATOM 0 H VAL A 94 114.412 -1.588 1.050 1.00 0.00 H new ATOM 0 HA VAL A 94 112.668 -3.063 3.052 1.00 0.00 H new ATOM 0 HB VAL A 94 113.427 -3.655 0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 94 111.753 -5.501 0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 94 113.075 -5.696 1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 94 111.496 -5.071 2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 94 111.006 -3.271 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 94 110.740 -2.813 1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 94 111.772 -1.806 0.313 1.00 0.00 H new ATOM 1572 N VAL A 95 114.560 -4.491 3.737 1.00 0.00 N ATOM 1573 CA VAL A 95 115.701 -5.353 4.183 1.00 0.00 C ATOM 1574 C VAL A 95 115.127 -6.615 4.858 1.00 0.00 C ATOM 1575 O VAL A 95 114.200 -6.491 5.635 1.00 0.00 O ATOM 1576 CB VAL A 95 116.505 -4.498 5.181 1.00 0.00 C ATOM 1577 CG1 VAL A 95 117.713 -5.284 5.709 1.00 0.00 C ATOM 1578 CG2 VAL A 95 117.026 -3.228 4.498 1.00 0.00 C ATOM 0 H VAL A 95 113.766 -4.475 4.377 1.00 0.00 H new ATOM 0 HA VAL A 95 116.339 -5.678 3.361 1.00 0.00 H new ATOM 0 HB VAL A 95 115.840 -4.236 6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 95 118.270 -4.666 6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 95 117.368 -6.186 6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 95 118.360 -5.559 4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 95 117.592 -2.635 5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 95 117.673 -3.502 3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 95 116.184 -2.643 4.127 1.00 0.00 H new ATOM 1588 N PRO A 96 115.668 -7.790 4.561 1.00 0.00 N ATOM 1589 CA PRO A 96 115.189 -9.053 5.218 1.00 0.00 C ATOM 1590 C PRO A 96 115.298 -8.977 6.750 1.00 0.00 C ATOM 1591 O PRO A 96 116.140 -8.271 7.276 1.00 0.00 O ATOM 1592 CB PRO A 96 116.140 -10.116 4.667 1.00 0.00 C ATOM 1593 CG PRO A 96 116.567 -9.560 3.355 1.00 0.00 C ATOM 1594 CD PRO A 96 116.750 -8.093 3.599 1.00 0.00 C ATOM 0 HA PRO A 96 114.138 -9.256 5.012 1.00 0.00 H new ATOM 0 HB2 PRO A 96 116.990 -10.275 5.330 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.641 -11.078 4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 96 117.493 -10.022 3.013 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.817 -9.742 2.586 1.00 0.00 H new ATOM 0 HD2 PRO A 96 117.734 -7.870 4.012 1.00 0.00 H new ATOM 0 HD3 PRO A 96 116.651 -7.514 2.681 1.00 0.00 H new ATOM 1602 N LYS A 97 114.451 -9.703 7.448 1.00 0.00 N ATOM 1603 CA LYS A 97 114.464 -9.678 8.949 1.00 0.00 C ATOM 1604 C LYS A 97 115.767 -10.284 9.482 1.00 0.00 C ATOM 1605 O LYS A 97 116.285 -9.842 10.493 1.00 0.00 O ATOM 1606 CB LYS A 97 113.265 -10.519 9.404 1.00 0.00 C ATOM 1607 CG LYS A 97 113.048 -10.337 10.908 1.00 0.00 C ATOM 1608 CD LYS A 97 111.916 -11.254 11.376 1.00 0.00 C ATOM 1609 CE LYS A 97 111.599 -10.967 12.845 1.00 0.00 C ATOM 1610 NZ LYS A 97 110.989 -12.225 13.360 1.00 0.00 N ATOM 0 H LYS A 97 113.746 -10.316 7.038 1.00 0.00 H new ATOM 0 HA LYS A 97 114.401 -8.657 9.327 1.00 0.00 H new ATOM 0 HB2 LYS A 97 112.370 -10.219 8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 97 113.439 -11.571 9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 97 113.965 -10.569 11.449 1.00 0.00 H new ATOM 0 HG3 LYS A 97 112.803 -9.298 11.128 1.00 0.00 H new ATOM 0 HD2 LYS A 97 111.028 -11.095 10.764 1.00 0.00 H new ATOM 0 HD3 LYS A 97 112.205 -12.298 11.253 1.00 0.00 H new ATOM 0 HE2 LYS A 97 112.501 -10.709 13.400 1.00 0.00 H new ATOM 0 HE3 LYS A 97 110.913 -10.126 12.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 110.744 -12.106 14.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 110.129 -12.441 12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 111.668 -13.006 13.259 1.00 0.00 H new ATOM 1624 N LYS A 98 116.287 -11.283 8.805 1.00 0.00 N ATOM 1625 CA LYS A 98 117.537 -11.965 9.268 1.00 0.00 C ATOM 1626 C LYS A 98 118.762 -11.341 8.594 1.00 0.00 C ATOM 1627 O LYS A 98 118.828 -11.266 7.379 1.00 0.00 O ATOM 1628 CB LYS A 98 117.382 -13.429 8.849 1.00 0.00 C ATOM 1629 CG LYS A 98 116.249 -14.076 9.648 1.00 0.00 C ATOM 1630 CD LYS A 98 116.168 -15.565 9.306 1.00 0.00 C ATOM 1631 CE LYS A 98 114.952 -16.184 9.999 1.00 0.00 C ATOM 1632 NZ LYS A 98 115.368 -16.366 11.417 1.00 0.00 N ATOM 0 H LYS A 98 115.893 -11.658 7.942 1.00 0.00 H new ATOM 0 HA LYS A 98 117.680 -11.867 10.344 1.00 0.00 H new ATOM 0 HB2 LYS A 98 117.169 -13.491 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 98 118.314 -13.967 9.020 1.00 0.00 H new ATOM 0 HG2 LYS A 98 116.423 -13.946 10.716 1.00 0.00 H new ATOM 0 HG3 LYS A 98 115.302 -13.587 9.418 1.00 0.00 H new ATOM 0 HD2 LYS A 98 116.091 -15.697 8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 98 117.079 -16.072 9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 98 114.081 -15.533 9.924 1.00 0.00 H new ATOM 0 HE3 LYS A 98 114.679 -17.135 9.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 115.156 -17.338 11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 116.389 -16.191 11.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 114.849 -15.696 12.020 1.00 0.00 H new ATOM 1646 N THR A 99 119.718 -10.899 9.380 1.00 0.00 N ATOM 1647 CA THR A 99 120.966 -10.292 8.819 1.00 0.00 C ATOM 1648 C THR A 99 122.187 -10.729 9.638 1.00 0.00 C ATOM 1649 O THR A 99 122.062 -11.061 10.804 1.00 0.00 O ATOM 1650 CB THR A 99 120.752 -8.769 8.878 1.00 0.00 C ATOM 1651 OG1 THR A 99 121.893 -8.115 8.341 1.00 0.00 O ATOM 1652 CG2 THR A 99 120.520 -8.285 10.318 1.00 0.00 C ATOM 0 H THR A 99 119.684 -10.935 10.399 1.00 0.00 H new ATOM 0 HA THR A 99 121.157 -10.615 7.796 1.00 0.00 H new ATOM 0 HB THR A 99 119.864 -8.529 8.294 1.00 0.00 H new ATOM 0 HG1 THR A 99 121.760 -7.145 8.375 1.00 0.00 H new ATOM 0 HG21 THR A 99 120.373 -7.205 10.320 1.00 0.00 H new ATOM 0 HG22 THR A 99 119.635 -8.772 10.728 1.00 0.00 H new ATOM 0 HG23 THR A 99 121.387 -8.534 10.930 1.00 0.00 H new ATOM 1660 N TYR A 100 123.351 -10.725 9.029 1.00 0.00 N ATOM 1661 CA TYR A 100 124.602 -11.127 9.744 1.00 0.00 C ATOM 1662 C TYR A 100 125.351 -9.886 10.239 1.00 0.00 C ATOM 1663 O TYR A 100 125.601 -9.746 11.424 1.00 0.00 O ATOM 1664 CB TYR A 100 125.436 -11.878 8.703 1.00 0.00 C ATOM 1665 CG TYR A 100 124.771 -13.131 8.187 1.00 0.00 C ATOM 1666 CD1 TYR A 100 124.857 -14.346 8.934 1.00 0.00 C ATOM 1667 CD2 TYR A 100 124.056 -13.102 6.949 1.00 0.00 C ATOM 1668 CE1 TYR A 100 124.227 -15.533 8.445 1.00 0.00 C ATOM 1669 CE2 TYR A 100 123.427 -14.290 6.460 1.00 0.00 C ATOM 1670 CZ TYR A 100 123.513 -15.504 7.208 1.00 0.00 C ATOM 1671 OH TYR A 100 122.905 -16.650 6.735 1.00 0.00 O ATOM 0 H TYR A 100 123.487 -10.456 8.054 1.00 0.00 H new ATOM 0 HA TYR A 100 124.395 -11.743 10.619 1.00 0.00 H new ATOM 0 HB2 TYR A 100 125.640 -11.213 7.864 1.00 0.00 H new ATOM 0 HB3 TYR A 100 126.398 -12.142 9.142 1.00 0.00 H new ATOM 0 HD1 TYR A 100 125.398 -14.368 9.868 1.00 0.00 H new ATOM 0 HD2 TYR A 100 123.991 -12.184 6.384 1.00 0.00 H new ATOM 0 HE1 TYR A 100 124.291 -16.451 9.011 1.00 0.00 H new ATOM 0 HE2 TYR A 100 122.887 -14.269 5.525 1.00 0.00 H new ATOM 0 HH TYR A 100 122.462 -16.457 5.883 1.00 0.00 H new ATOM 1681 N HIS A 101 125.703 -8.999 9.336 1.00 0.00 N ATOM 1682 CA HIS A 101 126.445 -7.757 9.714 1.00 0.00 C ATOM 1683 C HIS A 101 125.831 -6.541 9.015 1.00 0.00 C ATOM 1684 O HIS A 101 124.850 -6.668 8.302 1.00 0.00 O ATOM 1685 CB HIS A 101 127.877 -7.989 9.231 1.00 0.00 C ATOM 1686 CG HIS A 101 128.562 -9.141 9.915 1.00 0.00 C ATOM 1687 ND1 HIS A 101 128.527 -10.429 9.405 1.00 0.00 N ATOM 1688 CD2 HIS A 101 129.303 -9.215 11.069 1.00 0.00 C ATOM 1689 CE1 HIS A 101 129.226 -11.216 10.242 1.00 0.00 C ATOM 1690 NE2 HIS A 101 129.722 -10.528 11.272 1.00 0.00 N ATOM 0 H HIS A 101 125.503 -9.087 8.340 1.00 0.00 H new ATOM 0 HA HIS A 101 126.404 -7.560 10.785 1.00 0.00 H new ATOM 0 HB2 HIS A 101 127.865 -8.170 8.156 1.00 0.00 H new ATOM 0 HB3 HIS A 101 128.459 -7.082 9.395 1.00 0.00 H new ATOM 0 HD2 HIS A 101 129.527 -8.383 11.720 1.00 0.00 H new ATOM 0 HE1 HIS A 101 129.369 -12.277 10.098 1.00 0.00 H new ATOM 0 HE2 HIS A 101 130.287 -10.886 12.042 1.00 0.00 H new ATOM 1698 N SER A 102 126.407 -5.377 9.219 1.00 0.00 N ATOM 1699 CA SER A 102 125.893 -4.134 8.566 1.00 0.00 C ATOM 1700 C SER A 102 126.668 -3.859 7.274 1.00 0.00 C ATOM 1701 O SER A 102 127.825 -4.221 7.159 1.00 0.00 O ATOM 1702 CB SER A 102 126.128 -3.015 9.583 1.00 0.00 C ATOM 1703 OG SER A 102 127.526 -2.812 9.741 1.00 0.00 O ATOM 0 H SER A 102 127.221 -5.237 9.818 1.00 0.00 H new ATOM 0 HA SER A 102 124.840 -4.217 8.296 1.00 0.00 H new ATOM 0 HB2 SER A 102 125.651 -2.095 9.246 1.00 0.00 H new ATOM 0 HB3 SER A 102 125.676 -3.276 10.540 1.00 0.00 H new ATOM 0 HG SER A 102 127.782 -1.963 9.324 1.00 0.00 H new ATOM 1709 N SER A 103 126.032 -3.224 6.315 1.00 0.00 N ATOM 1710 CA SER A 103 126.682 -2.959 4.996 1.00 0.00 C ATOM 1711 C SER A 103 126.423 -1.516 4.553 1.00 0.00 C ATOM 1712 O SER A 103 125.688 -0.792 5.201 1.00 0.00 O ATOM 1713 CB SER A 103 126.027 -3.942 4.026 1.00 0.00 C ATOM 1714 OG SER A 103 126.293 -5.270 4.454 1.00 0.00 O ATOM 0 H SER A 103 125.077 -2.875 6.395 1.00 0.00 H new ATOM 0 HA SER A 103 127.764 -3.086 5.039 1.00 0.00 H new ATOM 0 HB2 SER A 103 124.952 -3.769 3.986 1.00 0.00 H new ATOM 0 HB3 SER A 103 126.413 -3.788 3.018 1.00 0.00 H new ATOM 0 HG SER A 103 125.873 -5.903 3.835 1.00 0.00 H new ATOM 1720 N GLU A 104 127.027 -1.108 3.459 1.00 0.00 N ATOM 1721 CA GLU A 104 126.802 0.265 2.910 1.00 0.00 C ATOM 1722 C GLU A 104 125.948 0.211 1.637 1.00 0.00 C ATOM 1723 O GLU A 104 126.060 1.079 0.791 1.00 0.00 O ATOM 1724 CB GLU A 104 128.203 0.797 2.589 1.00 0.00 C ATOM 1725 CG GLU A 104 128.777 1.530 3.804 1.00 0.00 C ATOM 1726 CD GLU A 104 130.246 1.874 3.549 1.00 0.00 C ATOM 1727 OE1 GLU A 104 131.091 1.059 3.883 1.00 0.00 O ATOM 1728 OE2 GLU A 104 130.500 2.946 3.025 1.00 0.00 O ATOM 0 H GLU A 104 127.676 -1.679 2.917 1.00 0.00 H new ATOM 0 HA GLU A 104 126.269 0.901 3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 104 128.858 -0.028 2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 104 128.157 1.473 1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 104 128.208 2.440 3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 104 128.688 0.906 4.693 1.00 0.00 H new ATOM 1735 N ILE A 105 125.106 -0.791 1.498 1.00 0.00 N ATOM 1736 CA ILE A 105 124.229 -0.905 0.289 1.00 0.00 C ATOM 1737 C ILE A 105 122.763 -0.961 0.739 1.00 0.00 C ATOM 1738 O ILE A 105 122.402 -1.771 1.573 1.00 0.00 O ATOM 1739 CB ILE A 105 124.642 -2.212 -0.420 1.00 0.00 C ATOM 1740 CG1 ILE A 105 126.149 -2.225 -0.760 1.00 0.00 C ATOM 1741 CG2 ILE A 105 123.829 -2.403 -1.709 1.00 0.00 C ATOM 1742 CD1 ILE A 105 126.543 -1.046 -1.664 1.00 0.00 C ATOM 0 H ILE A 105 124.990 -1.541 2.180 1.00 0.00 H new ATOM 0 HA ILE A 105 124.337 -0.055 -0.385 1.00 0.00 H new ATOM 0 HB ILE A 105 124.437 -3.032 0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 105 126.729 -2.185 0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 105 126.401 -3.163 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 105 124.133 -3.329 -2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 105 122.768 -2.452 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 105 124.009 -1.563 -2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 105 127.611 -1.093 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 105 125.982 -1.100 -2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 105 126.316 -0.108 -1.158 1.00 0.00 H new ATOM 1754 N ILE A 106 121.933 -0.104 0.187 1.00 0.00 N ATOM 1755 CA ILE A 106 120.472 -0.112 0.518 1.00 0.00 C ATOM 1756 C ILE A 106 119.641 -0.241 -0.763 1.00 0.00 C ATOM 1757 O ILE A 106 120.006 0.305 -1.790 1.00 0.00 O ATOM 1758 CB ILE A 106 120.178 1.216 1.241 1.00 0.00 C ATOM 1759 CG1 ILE A 106 120.572 2.425 0.378 1.00 0.00 C ATOM 1760 CG2 ILE A 106 120.955 1.266 2.558 1.00 0.00 C ATOM 1761 CD1 ILE A 106 119.955 3.696 0.965 1.00 0.00 C ATOM 0 H ILE A 106 122.211 0.609 -0.487 1.00 0.00 H new ATOM 0 HA ILE A 106 120.210 -0.958 1.153 1.00 0.00 H new ATOM 0 HB ILE A 106 119.106 1.264 1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 106 121.657 2.519 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 106 120.228 2.281 -0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 106 120.746 2.206 3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 106 120.650 0.433 3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 106 122.023 1.194 2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 106 120.235 4.553 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 106 118.869 3.600 0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 106 120.320 3.842 1.981 1.00 0.00 H new ATOM 1773 N GLU A 107 118.540 -0.955 -0.698 1.00 0.00 N ATOM 1774 CA GLU A 107 117.652 -1.118 -1.891 1.00 0.00 C ATOM 1775 C GLU A 107 116.296 -0.457 -1.629 1.00 0.00 C ATOM 1776 O GLU A 107 115.668 -0.707 -0.614 1.00 0.00 O ATOM 1777 CB GLU A 107 117.488 -2.627 -2.071 1.00 0.00 C ATOM 1778 CG GLU A 107 118.672 -3.180 -2.866 1.00 0.00 C ATOM 1779 CD GLU A 107 118.492 -4.685 -3.081 1.00 0.00 C ATOM 1780 OE1 GLU A 107 118.126 -5.362 -2.135 1.00 0.00 O ATOM 1781 OE2 GLU A 107 118.723 -5.135 -4.191 1.00 0.00 O ATOM 0 H GLU A 107 118.217 -1.436 0.141 1.00 0.00 H new ATOM 0 HA GLU A 107 118.070 -0.650 -2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.430 -3.115 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 107 116.555 -2.842 -2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 107 118.746 -2.672 -3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 107 119.602 -2.988 -2.332 1.00 0.00 H new ATOM 1788 N ILE A 108 115.854 0.373 -2.544 1.00 0.00 N ATOM 1789 CA ILE A 108 114.601 1.166 -2.336 1.00 0.00 C ATOM 1790 C ILE A 108 113.540 0.726 -3.355 1.00 0.00 C ATOM 1791 O ILE A 108 113.866 0.273 -4.435 1.00 0.00 O ATOM 1792 CB ILE A 108 115.015 2.637 -2.548 1.00 0.00 C ATOM 1793 CG1 ILE A 108 116.049 3.048 -1.493 1.00 0.00 C ATOM 1794 CG2 ILE A 108 113.804 3.573 -2.424 1.00 0.00 C ATOM 1795 CD1 ILE A 108 116.733 4.347 -1.922 1.00 0.00 C ATOM 0 H ILE A 108 116.315 0.536 -3.439 1.00 0.00 H new ATOM 0 HA ILE A 108 114.165 1.022 -1.347 1.00 0.00 H new ATOM 0 HB ILE A 108 115.438 2.721 -3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 108 115.563 3.183 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 108 116.790 2.259 -1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 108 114.124 4.604 -2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 108 113.061 3.308 -3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 108 113.367 3.473 -1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 108 117.467 4.637 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.233 4.196 -2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 108 115.987 5.135 -2.023 1.00 0.00 H new ATOM 1807 N ILE A 109 112.283 0.862 -3.002 1.00 0.00 N ATOM 1808 CA ILE A 109 111.175 0.729 -4.000 1.00 0.00 C ATOM 1809 C ILE A 109 110.417 2.058 -4.107 1.00 0.00 C ATOM 1810 O ILE A 109 110.423 2.844 -3.174 1.00 0.00 O ATOM 1811 CB ILE A 109 110.256 -0.400 -3.499 1.00 0.00 C ATOM 1812 CG1 ILE A 109 109.723 -0.112 -2.086 1.00 0.00 C ATOM 1813 CG2 ILE A 109 111.031 -1.720 -3.485 1.00 0.00 C ATOM 1814 CD1 ILE A 109 108.407 -0.862 -1.871 1.00 0.00 C ATOM 0 H ILE A 109 111.975 1.062 -2.051 1.00 0.00 H new ATOM 0 HA ILE A 109 111.553 0.490 -4.994 1.00 0.00 H new ATOM 0 HB ILE A 109 109.405 -0.466 -4.177 1.00 0.00 H new ATOM 0 HG12 ILE A 109 110.455 -0.421 -1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 109 109.568 0.959 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 109 110.381 -2.520 -3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 109 111.374 -1.951 -4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 109 111.891 -1.630 -2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 109 108.031 -0.657 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 109 107.675 -0.532 -2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 109 108.576 -1.933 -1.983 1.00 0.00 H new ATOM 1826 N ALA A 110 109.776 2.299 -5.227 1.00 0.00 N ATOM 1827 CA ALA A 110 109.072 3.598 -5.454 1.00 0.00 C ATOM 1828 C ALA A 110 107.774 3.370 -6.248 1.00 0.00 C ATOM 1829 O ALA A 110 107.603 2.303 -6.806 1.00 0.00 O ATOM 1830 CB ALA A 110 110.053 4.459 -6.249 1.00 0.00 C ATOM 0 H ALA A 110 109.711 1.640 -6.003 1.00 0.00 H new ATOM 0 HA ALA A 110 108.787 4.078 -4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 110 109.602 5.430 -6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 110 110.967 4.597 -5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 110 110.290 3.965 -7.191 1.00 0.00 H new ATOM 1836 N PRO A 111 106.891 4.359 -6.283 1.00 0.00 N ATOM 1837 CA PRO A 111 105.623 4.238 -7.078 1.00 0.00 C ATOM 1838 C PRO A 111 105.911 4.013 -8.570 1.00 0.00 C ATOM 1839 O PRO A 111 105.152 3.345 -9.251 1.00 0.00 O ATOM 1840 CB PRO A 111 104.940 5.590 -6.858 1.00 0.00 C ATOM 1841 CG PRO A 111 105.499 6.061 -5.563 1.00 0.00 C ATOM 1842 CD PRO A 111 106.944 5.672 -5.607 1.00 0.00 C ATOM 0 HA PRO A 111 105.014 3.389 -6.768 1.00 0.00 H new ATOM 0 HB2 PRO A 111 105.161 6.287 -7.667 1.00 0.00 H new ATOM 0 HB3 PRO A 111 103.856 5.488 -6.813 1.00 0.00 H new ATOM 0 HG2 PRO A 111 105.383 7.139 -5.450 1.00 0.00 H new ATOM 0 HG3 PRO A 111 104.989 5.596 -4.719 1.00 0.00 H new ATOM 0 HD2 PRO A 111 107.543 6.393 -6.163 1.00 0.00 H new ATOM 0 HD3 PRO A 111 107.377 5.600 -4.609 1.00 0.00 H new ATOM 1850 N MET A 112 106.996 4.566 -9.064 1.00 0.00 N ATOM 1851 CA MET A 112 107.335 4.444 -10.515 1.00 0.00 C ATOM 1852 C MET A 112 108.855 4.340 -10.714 1.00 0.00 C ATOM 1853 O MET A 112 109.616 4.595 -9.797 1.00 0.00 O ATOM 1854 CB MET A 112 106.707 5.669 -11.224 1.00 0.00 C ATOM 1855 CG MET A 112 107.499 6.983 -11.065 1.00 0.00 C ATOM 1856 SD MET A 112 107.401 7.615 -9.371 1.00 0.00 S ATOM 1857 CE MET A 112 105.654 8.090 -9.406 1.00 0.00 C ATOM 0 H MET A 112 107.667 5.102 -8.514 1.00 0.00 H new ATOM 0 HA MET A 112 106.930 3.530 -10.950 1.00 0.00 H new ATOM 0 HB2 MET A 112 106.610 5.446 -12.286 1.00 0.00 H new ATOM 0 HB3 MET A 112 105.699 5.819 -10.836 1.00 0.00 H new ATOM 0 HG2 MET A 112 108.542 6.815 -11.332 1.00 0.00 H new ATOM 0 HG3 MET A 112 107.109 7.730 -11.756 1.00 0.00 H new ATOM 0 HE1 MET A 112 105.404 8.624 -8.490 1.00 0.00 H new ATOM 0 HE2 MET A 112 105.470 8.736 -10.265 1.00 0.00 H new ATOM 0 HE3 MET A 112 105.035 7.196 -9.485 1.00 0.00 H new ATOM 1867 N LYS A 113 109.283 3.968 -11.900 1.00 0.00 N ATOM 1868 CA LYS A 113 110.749 3.806 -12.174 1.00 0.00 C ATOM 1869 C LYS A 113 111.432 5.178 -12.202 1.00 0.00 C ATOM 1870 O LYS A 113 111.304 5.919 -13.161 1.00 0.00 O ATOM 1871 CB LYS A 113 110.861 3.124 -13.543 1.00 0.00 C ATOM 1872 CG LYS A 113 112.302 2.660 -13.765 1.00 0.00 C ATOM 1873 CD LYS A 113 112.357 1.715 -14.968 1.00 0.00 C ATOM 1874 CE LYS A 113 112.162 2.514 -16.259 1.00 0.00 C ATOM 1875 NZ LYS A 113 112.060 1.488 -17.334 1.00 0.00 N ATOM 0 H LYS A 113 108.675 3.769 -12.694 1.00 0.00 H new ATOM 0 HA LYS A 113 111.236 3.213 -11.400 1.00 0.00 H new ATOM 0 HB2 LYS A 113 110.182 2.273 -13.594 1.00 0.00 H new ATOM 0 HB3 LYS A 113 110.565 3.816 -14.331 1.00 0.00 H new ATOM 0 HG2 LYS A 113 112.950 3.520 -13.935 1.00 0.00 H new ATOM 0 HG3 LYS A 113 112.673 2.153 -12.874 1.00 0.00 H new ATOM 0 HD2 LYS A 113 113.315 1.195 -14.991 1.00 0.00 H new ATOM 0 HD3 LYS A 113 111.583 0.953 -14.880 1.00 0.00 H new ATOM 0 HE2 LYS A 113 111.262 3.127 -16.212 1.00 0.00 H new ATOM 0 HE3 LYS A 113 112.999 3.189 -16.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 111.925 1.959 -18.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 112.933 0.924 -17.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 111.250 0.864 -17.143 1.00 0.00 H new ATOM 1889 N LEU A 114 112.153 5.508 -11.152 1.00 0.00 N ATOM 1890 CA LEU A 114 112.815 6.856 -11.050 1.00 0.00 C ATOM 1891 C LEU A 114 113.796 7.089 -12.205 1.00 0.00 C ATOM 1892 O LEU A 114 113.958 8.208 -12.657 1.00 0.00 O ATOM 1893 CB LEU A 114 113.575 6.863 -9.719 1.00 0.00 C ATOM 1894 CG LEU A 114 112.583 6.776 -8.557 1.00 0.00 C ATOM 1895 CD1 LEU A 114 113.342 6.494 -7.259 1.00 0.00 C ATOM 1896 CD2 LEU A 114 111.830 8.102 -8.424 1.00 0.00 C ATOM 0 H LEU A 114 112.313 4.895 -10.353 1.00 0.00 H new ATOM 0 HA LEU A 114 112.069 7.649 -11.101 1.00 0.00 H new ATOM 0 HB2 LEU A 114 114.269 6.023 -9.681 1.00 0.00 H new ATOM 0 HB3 LEU A 114 114.170 7.772 -9.634 1.00 0.00 H new ATOM 0 HG LEU A 114 111.873 5.972 -8.749 1.00 0.00 H new ATOM 0 HD11 LEU A 114 112.636 6.432 -6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 114 113.879 5.550 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 114 114.052 7.299 -7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 114 111.124 8.038 -7.596 1.00 0.00 H new ATOM 0 HD22 LEU A 114 112.541 8.906 -8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 114 111.288 8.307 -9.347 1.00 0.00 H new ATOM 1908 N ARG A 115 114.438 6.043 -12.680 1.00 0.00 N ATOM 1909 CA ARG A 115 115.497 6.199 -13.735 1.00 0.00 C ATOM 1910 C ARG A 115 114.906 6.780 -15.022 1.00 0.00 C ATOM 1911 O ARG A 115 115.560 7.551 -15.702 1.00 0.00 O ATOM 1912 CB ARG A 115 116.060 4.802 -14.008 1.00 0.00 C ATOM 1913 CG ARG A 115 116.777 4.282 -12.762 1.00 0.00 C ATOM 1914 CD ARG A 115 117.402 2.915 -13.063 1.00 0.00 C ATOM 1915 NE ARG A 115 118.582 3.188 -13.948 1.00 0.00 N ATOM 1916 CZ ARG A 115 119.616 2.372 -14.031 1.00 0.00 C ATOM 1917 NH1 ARG A 115 119.691 1.241 -13.368 1.00 0.00 N ATOM 1918 NH2 ARG A 115 120.604 2.698 -14.818 1.00 0.00 N ATOM 0 H ARG A 115 114.273 5.082 -12.380 1.00 0.00 H new ATOM 0 HA ARG A 115 116.274 6.883 -13.394 1.00 0.00 H new ATOM 0 HB2 ARG A 115 115.254 4.123 -14.286 1.00 0.00 H new ATOM 0 HB3 ARG A 115 116.752 4.836 -14.850 1.00 0.00 H new ATOM 0 HG2 ARG A 115 117.549 4.987 -12.454 1.00 0.00 H new ATOM 0 HG3 ARG A 115 116.074 4.197 -11.934 1.00 0.00 H new ATOM 0 HD2 ARG A 115 117.710 2.416 -12.144 1.00 0.00 H new ATOM 0 HD3 ARG A 115 116.686 2.259 -13.558 1.00 0.00 H new ATOM 0 HE ARG A 115 118.585 4.040 -14.509 1.00 0.00 H new ATOM 0 HH11 ARG A 115 118.927 0.958 -12.754 1.00 0.00 H new ATOM 0 HH12 ARG A 115 120.513 0.645 -13.467 1.00 0.00 H new ATOM 0 HH21 ARG A 115 120.566 3.567 -15.352 1.00 0.00 H new ATOM 0 HH22 ARG A 115 121.415 2.084 -14.900 1.00 0.00 H new ATOM 1932 N GLU A 116 113.687 6.413 -15.344 1.00 0.00 N ATOM 1933 CA GLU A 116 113.026 6.951 -16.575 1.00 0.00 C ATOM 1934 C GLU A 116 112.522 8.368 -16.297 1.00 0.00 C ATOM 1935 O GLU A 116 112.778 9.277 -17.067 1.00 0.00 O ATOM 1936 CB GLU A 116 111.862 6.005 -16.891 1.00 0.00 C ATOM 1937 CG GLU A 116 111.262 6.365 -18.253 1.00 0.00 C ATOM 1938 CD GLU A 116 110.022 5.507 -18.511 1.00 0.00 C ATOM 1939 OE1 GLU A 116 109.219 5.372 -17.601 1.00 0.00 O ATOM 1940 OE2 GLU A 116 109.896 5.000 -19.613 1.00 0.00 O ATOM 0 H GLU A 116 113.120 5.760 -14.803 1.00 0.00 H new ATOM 0 HA GLU A 116 113.712 7.004 -17.420 1.00 0.00 H new ATOM 0 HB2 GLU A 116 112.211 4.972 -16.898 1.00 0.00 H new ATOM 0 HB3 GLU A 116 111.100 6.079 -16.116 1.00 0.00 H new ATOM 0 HG2 GLU A 116 110.997 7.422 -18.277 1.00 0.00 H new ATOM 0 HG3 GLU A 116 111.998 6.204 -19.040 1.00 0.00 H new ATOM 1947 N GLN A 117 111.829 8.558 -15.195 1.00 0.00 N ATOM 1948 CA GLN A 117 111.164 9.877 -14.916 1.00 0.00 C ATOM 1949 C GLN A 117 112.199 11.002 -14.793 1.00 0.00 C ATOM 1950 O GLN A 117 111.928 12.129 -15.165 1.00 0.00 O ATOM 1951 CB GLN A 117 110.406 9.709 -13.594 1.00 0.00 C ATOM 1952 CG GLN A 117 109.284 8.683 -13.771 1.00 0.00 C ATOM 1953 CD GLN A 117 108.161 9.292 -14.616 1.00 0.00 C ATOM 1954 OE1 GLN A 117 108.281 9.400 -15.819 1.00 0.00 O ATOM 1955 NE2 GLN A 117 107.067 9.696 -14.030 1.00 0.00 N ATOM 0 H GLN A 117 111.695 7.851 -14.472 1.00 0.00 H new ATOM 0 HA GLN A 117 110.493 10.150 -15.731 1.00 0.00 H new ATOM 0 HB2 GLN A 117 111.090 9.383 -12.810 1.00 0.00 H new ATOM 0 HB3 GLN A 117 109.991 10.666 -13.277 1.00 0.00 H new ATOM 0 HG2 GLN A 117 109.671 7.786 -14.254 1.00 0.00 H new ATOM 0 HG3 GLN A 117 108.897 8.380 -12.798 1.00 0.00 H new ATOM 0 HE21 GLN A 117 106.967 9.605 -13.019 1.00 0.00 H new ATOM 0 HE22 GLN A 117 106.313 10.103 -14.583 1.00 0.00 H new ATOM 1964 N PHE A 118 113.368 10.695 -14.277 1.00 0.00 N ATOM 1965 CA PHE A 118 114.422 11.739 -14.077 1.00 0.00 C ATOM 1966 C PHE A 118 115.587 11.600 -15.069 1.00 0.00 C ATOM 1967 O PHE A 118 116.584 12.284 -14.926 1.00 0.00 O ATOM 1968 CB PHE A 118 114.916 11.516 -12.647 1.00 0.00 C ATOM 1969 CG PHE A 118 113.900 11.892 -11.593 1.00 0.00 C ATOM 1970 CD1 PHE A 118 112.906 10.948 -11.190 1.00 0.00 C ATOM 1971 CD2 PHE A 118 113.936 13.192 -10.999 1.00 0.00 C ATOM 1972 CE1 PHE A 118 111.946 11.304 -10.192 1.00 0.00 C ATOM 1973 CE2 PHE A 118 112.976 13.548 -10.002 1.00 0.00 C ATOM 1974 CZ PHE A 118 111.982 12.604 -9.598 1.00 0.00 C ATOM 0 H PHE A 118 113.637 9.756 -13.984 1.00 0.00 H new ATOM 0 HA PHE A 118 114.019 12.738 -14.244 1.00 0.00 H new ATOM 0 HB2 PHE A 118 115.185 10.467 -12.523 1.00 0.00 H new ATOM 0 HB3 PHE A 118 115.824 12.098 -12.490 1.00 0.00 H new ATOM 0 HD1 PHE A 118 112.880 9.966 -11.639 1.00 0.00 H new ATOM 0 HD2 PHE A 118 114.688 13.905 -11.304 1.00 0.00 H new ATOM 0 HE1 PHE A 118 111.194 10.591 -9.887 1.00 0.00 H new ATOM 0 HE2 PHE A 118 113.002 14.530 -9.554 1.00 0.00 H new ATOM 0 HZ PHE A 118 111.258 12.873 -8.843 1.00 0.00 H new ATOM 1984 N ASN A 119 115.488 10.736 -16.067 1.00 0.00 N ATOM 1985 CA ASN A 119 116.599 10.530 -17.067 1.00 0.00 C ATOM 1986 C ASN A 119 117.950 10.254 -16.378 1.00 0.00 C ATOM 1987 O ASN A 119 118.971 10.810 -16.749 1.00 0.00 O ATOM 1988 CB ASN A 119 116.651 11.818 -17.902 1.00 0.00 C ATOM 1989 CG ASN A 119 115.360 11.957 -18.714 1.00 0.00 C ATOM 1990 OD1 ASN A 119 114.698 12.973 -18.653 1.00 0.00 O ATOM 1991 ND2 ASN A 119 114.974 10.971 -19.476 1.00 0.00 N ATOM 0 H ASN A 119 114.666 10.155 -16.231 1.00 0.00 H new ATOM 0 HA ASN A 119 116.408 9.655 -17.689 1.00 0.00 H new ATOM 0 HB2 ASN A 119 116.776 12.682 -17.249 1.00 0.00 H new ATOM 0 HB3 ASN A 119 117.512 11.796 -18.570 1.00 0.00 H new ATOM 0 HD21 ASN A 119 114.116 11.053 -20.021 1.00 0.00 H new ATOM 0 HD22 ASN A 119 115.531 10.118 -19.527 1.00 0.00 H new ATOM 1998 N LEU A 120 117.949 9.396 -15.383 1.00 0.00 N ATOM 1999 CA LEU A 120 119.162 9.201 -14.527 1.00 0.00 C ATOM 2000 C LEU A 120 120.030 8.059 -15.063 1.00 0.00 C ATOM 2001 O LEU A 120 119.521 7.028 -15.466 1.00 0.00 O ATOM 2002 CB LEU A 120 118.634 8.857 -13.133 1.00 0.00 C ATOM 2003 CG LEU A 120 118.009 10.101 -12.495 1.00 0.00 C ATOM 2004 CD1 LEU A 120 117.233 9.695 -11.240 1.00 0.00 C ATOM 2005 CD2 LEU A 120 119.114 11.087 -12.109 1.00 0.00 C ATOM 0 H LEU A 120 117.150 8.817 -15.126 1.00 0.00 H new ATOM 0 HA LEU A 120 119.787 10.094 -14.516 1.00 0.00 H new ATOM 0 HB2 LEU A 120 117.893 8.060 -13.201 1.00 0.00 H new ATOM 0 HB3 LEU A 120 119.446 8.485 -12.508 1.00 0.00 H new ATOM 0 HG LEU A 120 117.332 10.572 -13.208 1.00 0.00 H new ATOM 0 HD11 LEU A 120 116.788 10.580 -10.785 1.00 0.00 H new ATOM 0 HD12 LEU A 120 116.446 8.991 -11.511 1.00 0.00 H new ATOM 0 HD13 LEU A 120 117.912 9.224 -10.529 1.00 0.00 H new ATOM 0 HD21 LEU A 120 118.669 11.972 -11.655 1.00 0.00 H new ATOM 0 HD22 LEU A 120 119.790 10.615 -11.397 1.00 0.00 H new ATOM 0 HD23 LEU A 120 119.670 11.377 -13.000 1.00 0.00 H new ATOM 2017 N LYS A 121 121.330 8.250 -15.063 1.00 0.00 N ATOM 2018 CA LYS A 121 122.273 7.182 -15.516 1.00 0.00 C ATOM 2019 C LYS A 121 123.140 6.719 -14.342 1.00 0.00 C ATOM 2020 O LYS A 121 123.287 7.429 -13.363 1.00 0.00 O ATOM 2021 CB LYS A 121 123.142 7.844 -16.589 1.00 0.00 C ATOM 2022 CG LYS A 121 122.287 8.168 -17.816 1.00 0.00 C ATOM 2023 CD LYS A 121 123.180 8.729 -18.926 1.00 0.00 C ATOM 2024 CE LYS A 121 122.312 9.160 -20.110 1.00 0.00 C ATOM 2025 NZ LYS A 121 122.033 7.904 -20.860 1.00 0.00 N ATOM 0 H LYS A 121 121.781 9.114 -14.763 1.00 0.00 H new ATOM 0 HA LYS A 121 121.751 6.305 -15.899 1.00 0.00 H new ATOM 0 HB2 LYS A 121 123.591 8.756 -16.196 1.00 0.00 H new ATOM 0 HB3 LYS A 121 123.960 7.180 -16.869 1.00 0.00 H new ATOM 0 HG2 LYS A 121 121.776 7.270 -18.164 1.00 0.00 H new ATOM 0 HG3 LYS A 121 121.516 8.892 -17.554 1.00 0.00 H new ATOM 0 HD2 LYS A 121 123.752 9.578 -18.553 1.00 0.00 H new ATOM 0 HD3 LYS A 121 123.900 7.975 -19.244 1.00 0.00 H new ATOM 0 HE2 LYS A 121 121.389 9.631 -19.772 1.00 0.00 H new ATOM 0 HE3 LYS A 121 122.830 9.887 -20.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 122.342 8.013 -21.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 122.549 7.115 -20.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 121.012 7.705 -20.837 1.00 0.00 H new ATOM 2039 N ASP A 122 123.713 5.537 -14.437 1.00 0.00 N ATOM 2040 CA ASP A 122 124.566 4.985 -13.323 1.00 0.00 C ATOM 2041 C ASP A 122 125.712 5.943 -12.965 1.00 0.00 C ATOM 2042 O ASP A 122 126.338 6.513 -13.842 1.00 0.00 O ATOM 2043 CB ASP A 122 125.142 3.663 -13.843 1.00 0.00 C ATOM 2044 CG ASP A 122 124.011 2.657 -14.063 1.00 0.00 C ATOM 2045 OD1 ASP A 122 123.155 2.559 -13.199 1.00 0.00 O ATOM 2046 OD2 ASP A 122 124.020 2.002 -15.093 1.00 0.00 O ATOM 0 H ASP A 122 123.626 4.923 -15.247 1.00 0.00 H new ATOM 0 HA ASP A 122 123.971 4.849 -12.420 1.00 0.00 H new ATOM 0 HB2 ASP A 122 125.678 3.832 -14.777 1.00 0.00 H new ATOM 0 HB3 ASP A 122 125.863 3.264 -13.129 1.00 0.00 H new ATOM 2051 N GLY A 123 125.976 6.112 -11.690 1.00 0.00 N ATOM 2052 CA GLY A 123 127.042 7.057 -11.236 1.00 0.00 C ATOM 2053 C GLY A 123 126.440 8.385 -10.758 1.00 0.00 C ATOM 2054 O GLY A 123 127.069 9.089 -9.986 1.00 0.00 O ATOM 0 H GLY A 123 125.490 5.627 -10.936 1.00 0.00 H new ATOM 0 HA2 GLY A 123 127.614 6.602 -10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 123 127.738 7.244 -12.054 1.00 0.00 H new ATOM 2058 N ASP A 124 125.246 8.733 -11.199 1.00 0.00 N ATOM 2059 CA ASP A 124 124.603 10.019 -10.755 1.00 0.00 C ATOM 2060 C ASP A 124 124.303 9.963 -9.255 1.00 0.00 C ATOM 2061 O ASP A 124 124.166 8.891 -8.695 1.00 0.00 O ATOM 2062 CB ASP A 124 123.307 10.169 -11.561 1.00 0.00 C ATOM 2063 CG ASP A 124 123.590 10.885 -12.885 1.00 0.00 C ATOM 2064 OD1 ASP A 124 124.356 11.835 -12.876 1.00 0.00 O ATOM 2065 OD2 ASP A 124 123.028 10.473 -13.885 1.00 0.00 O ATOM 0 H ASP A 124 124.689 8.179 -11.849 1.00 0.00 H new ATOM 0 HA ASP A 124 125.262 10.870 -10.926 1.00 0.00 H new ATOM 0 HB2 ASP A 124 122.875 9.187 -11.755 1.00 0.00 H new ATOM 0 HB3 ASP A 124 122.574 10.732 -10.984 1.00 0.00 H new ATOM 2070 N VAL A 125 124.204 11.106 -8.614 1.00 0.00 N ATOM 2071 CA VAL A 125 124.030 11.147 -7.126 1.00 0.00 C ATOM 2072 C VAL A 125 122.631 11.683 -6.791 1.00 0.00 C ATOM 2073 O VAL A 125 122.193 12.672 -7.350 1.00 0.00 O ATOM 2074 CB VAL A 125 125.134 12.082 -6.594 1.00 0.00 C ATOM 2075 CG1 VAL A 125 125.070 12.169 -5.064 1.00 0.00 C ATOM 2076 CG2 VAL A 125 126.519 11.548 -6.982 1.00 0.00 C ATOM 0 H VAL A 125 124.237 12.021 -9.064 1.00 0.00 H new ATOM 0 HA VAL A 125 124.114 10.161 -6.670 1.00 0.00 H new ATOM 0 HB VAL A 125 124.975 13.067 -7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 125 125.856 12.833 -4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 125 124.098 12.560 -4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 125 125.210 11.176 -4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 125 127.288 12.219 -6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 125 126.659 10.555 -6.555 1.00 0.00 H new ATOM 0 HG23 VAL A 125 126.596 11.490 -8.068 1.00 0.00 H new ATOM 2086 N ILE A 126 121.946 11.026 -5.883 1.00 0.00 N ATOM 2087 CA ILE A 126 120.624 11.525 -5.387 1.00 0.00 C ATOM 2088 C ILE A 126 120.631 11.559 -3.855 1.00 0.00 C ATOM 2089 O ILE A 126 121.443 10.898 -3.230 1.00 0.00 O ATOM 2090 CB ILE A 126 119.556 10.555 -5.923 1.00 0.00 C ATOM 2091 CG1 ILE A 126 119.833 9.111 -5.478 1.00 0.00 C ATOM 2092 CG2 ILE A 126 119.533 10.610 -7.453 1.00 0.00 C ATOM 2093 CD1 ILE A 126 118.590 8.254 -5.721 1.00 0.00 C ATOM 0 H ILE A 126 122.254 10.151 -5.459 1.00 0.00 H new ATOM 0 HA ILE A 126 120.416 12.538 -5.732 1.00 0.00 H new ATOM 0 HB ILE A 126 118.592 10.862 -5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 126 120.681 8.705 -6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 126 120.101 9.090 -4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 126 118.776 9.922 -7.830 1.00 0.00 H new ATOM 0 HG22 ILE A 126 119.297 11.623 -7.777 1.00 0.00 H new ATOM 0 HG23 ILE A 126 120.510 10.323 -7.842 1.00 0.00 H new ATOM 0 HD11 ILE A 126 118.787 7.230 -5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 126 117.754 8.656 -5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 126 118.342 8.265 -6.782 1.00 0.00 H new ATOM 2105 N LYS A 127 119.737 12.317 -3.262 1.00 0.00 N ATOM 2106 CA LYS A 127 119.731 12.482 -1.776 1.00 0.00 C ATOM 2107 C LYS A 127 118.519 11.771 -1.171 1.00 0.00 C ATOM 2108 O LYS A 127 117.428 11.843 -1.707 1.00 0.00 O ATOM 2109 CB LYS A 127 119.635 13.991 -1.544 1.00 0.00 C ATOM 2110 CG LYS A 127 120.927 14.666 -2.010 1.00 0.00 C ATOM 2111 CD LYS A 127 120.872 16.159 -1.678 1.00 0.00 C ATOM 2112 CE LYS A 127 122.108 16.856 -2.252 1.00 0.00 C ATOM 2113 NZ LYS A 127 122.223 18.127 -1.485 1.00 0.00 N ATOM 0 H LYS A 127 119.005 12.832 -3.751 1.00 0.00 H new ATOM 0 HA LYS A 127 120.618 12.053 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 127 118.783 14.399 -2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 127 119.466 14.196 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 127 121.786 14.206 -1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 127 121.056 14.526 -3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 127 119.966 16.601 -2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 127 120.830 16.301 -0.598 1.00 0.00 H new ATOM 0 HE2 LYS A 127 123.000 16.241 -2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 127 121.994 17.048 -3.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 123.049 18.662 -1.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 121.363 18.695 -1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 122.338 17.913 -0.474 1.00 0.00 H new ATOM 2127 N ILE A 128 118.711 11.090 -0.063 1.00 0.00 N ATOM 2128 CA ILE A 128 117.571 10.430 0.649 1.00 0.00 C ATOM 2129 C ILE A 128 117.330 11.115 2.000 1.00 0.00 C ATOM 2130 O ILE A 128 118.267 11.437 2.711 1.00 0.00 O ATOM 2131 CB ILE A 128 117.955 8.948 0.824 1.00 0.00 C ATOM 2132 CG1 ILE A 128 119.284 8.793 1.579 1.00 0.00 C ATOM 2133 CG2 ILE A 128 118.081 8.294 -0.555 1.00 0.00 C ATOM 2134 CD1 ILE A 128 119.469 7.334 2.004 1.00 0.00 C ATOM 0 H ILE A 128 119.620 10.963 0.382 1.00 0.00 H new ATOM 0 HA ILE A 128 116.642 10.511 0.084 1.00 0.00 H new ATOM 0 HB ILE A 128 117.174 8.463 1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 128 120.113 9.105 0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 128 119.293 9.441 2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 128 118.353 7.245 -0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 128 117.128 8.365 -1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 128 118.852 8.806 -1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 128 120.413 7.228 2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 128 118.647 7.038 2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 128 119.479 6.696 1.120 1.00 0.00 H new ATOM 2146 N LEU A 129 116.081 11.335 2.339 1.00 0.00 N ATOM 2147 CA LEU A 129 115.731 12.032 3.614 1.00 0.00 C ATOM 2148 C LEU A 129 115.090 11.043 4.592 1.00 0.00 C ATOM 2149 O LEU A 129 114.155 10.345 4.240 1.00 0.00 O ATOM 2150 CB LEU A 129 114.732 13.118 3.207 1.00 0.00 C ATOM 2151 CG LEU A 129 114.471 14.062 4.387 1.00 0.00 C ATOM 2152 CD1 LEU A 129 114.039 15.434 3.861 1.00 0.00 C ATOM 2153 CD2 LEU A 129 113.362 13.488 5.274 1.00 0.00 C ATOM 0 H LEU A 129 115.278 11.056 1.775 1.00 0.00 H new ATOM 0 HA LEU A 129 116.603 12.452 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 129 115.121 13.682 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 129 113.797 12.660 2.883 1.00 0.00 H new ATOM 0 HG LEU A 129 115.386 14.165 4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 129 113.854 16.104 4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 129 114.828 15.848 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 129 113.127 15.328 3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 129 113.180 14.162 6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 129 112.448 13.380 4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 129 113.668 12.513 5.653 1.00 0.00 H new