USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 513 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 7 MET CE :methyl -160:sc= -0.807 (180deg=-1.94!) USER MOD Set 1.2: A 58 LYS NZ :NH3+ -147:sc= -1.95 (180deg=-4.34!) USER MOD Set 2.1: A 24 LYS NZ :NH3+ 168:sc= -0.399 (180deg=0) USER MOD Set 2.2: A 60 GLN : amide:sc= -1.08 K(o=-1.5,f=-3.1!) USER MOD Set 3.1: A 18 THR OG1 : rot -23:sc= 0.644 USER MOD Set 3.2: A 19 SER OG : rot 180:sc= 0.0152 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 135:sc= -0.814 (180deg=-3.28!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 160:sc= -0.155 USER MOD Single : A 40 ASN : amide:sc= 1.02 K(o=1,f=-0.011) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0054 USER MOD Single : A 47 TYR OH : rot 47:sc= 0.778 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 50 HIS : no HE2:sc= 0.988 K(o=0.99,f=-3!) USER MOD Single : A 53 SER OG : rot 69:sc= 1.36 USER MOD Single : A 57 MET CE :methyl 158:sc= -3.49! (180deg=-7.07!) USER MOD Single : A 59 LYS NZ :NH3+ -118:sc= 0.987 (180deg=0.0866) USER MOD Single : A 64 MET CE :methyl 136:sc= 0 (180deg=-0.827) USER MOD ----------------------------------------------------------------- ATOM 25 N VAL A 3 -4.718 7.338 8.381 1.00 0.00 N ATOM 26 CA VAL A 3 -3.299 7.469 8.563 1.00 0.00 C ATOM 27 C VAL A 3 -2.602 7.132 7.247 1.00 0.00 C ATOM 28 O VAL A 3 -2.828 6.072 6.659 1.00 0.00 O ATOM 29 CB VAL A 3 -2.867 6.527 9.686 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.431 6.844 10.061 1.00 0.00 C ATOM 31 CG2 VAL A 3 -3.748 6.652 10.939 1.00 0.00 C ATOM 0 HA VAL A 3 -3.026 8.487 8.841 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.969 5.506 9.317 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.109 6.179 10.862 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.788 6.703 9.192 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.363 7.878 10.399 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.394 5.960 11.703 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.695 7.672 11.321 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.780 6.414 10.683 1.00 0.00 H new ATOM 41 N VAL A 4 -1.773 8.058 6.774 1.00 0.00 N ATOM 42 CA VAL A 4 -1.039 7.952 5.537 1.00 0.00 C ATOM 43 C VAL A 4 0.199 7.067 5.741 1.00 0.00 C ATOM 44 O VAL A 4 0.813 7.087 6.806 1.00 0.00 O ATOM 45 CB VAL A 4 -0.689 9.379 5.088 1.00 0.00 C ATOM 46 CG1 VAL A 4 0.116 9.343 3.796 1.00 0.00 C ATOM 47 CG2 VAL A 4 -1.958 10.212 4.843 1.00 0.00 C ATOM 0 H VAL A 4 -1.594 8.932 7.268 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.628 7.474 4.754 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.104 9.837 5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.357 10.361 3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.038 8.784 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.470 8.858 3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.678 11.217 4.526 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.558 9.740 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.538 10.270 5.764 1.00 0.00 H new ATOM 57 N LEU A 5 0.568 6.307 4.709 1.00 0.00 N ATOM 58 CA LEU A 5 1.742 5.444 4.653 1.00 0.00 C ATOM 59 C LEU A 5 2.386 5.618 3.278 1.00 0.00 C ATOM 60 O LEU A 5 1.644 5.826 2.323 1.00 0.00 O ATOM 61 CB LEU A 5 1.266 3.995 4.813 1.00 0.00 C ATOM 62 CG LEU A 5 2.425 3.000 4.625 1.00 0.00 C ATOM 63 CD1 LEU A 5 2.609 2.145 5.861 1.00 0.00 C ATOM 64 CD2 LEU A 5 2.219 2.140 3.375 1.00 0.00 C ATOM 0 H LEU A 5 0.025 6.277 3.846 1.00 0.00 H new ATOM 0 HA LEU A 5 2.459 5.691 5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.827 3.862 5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.482 3.785 4.085 1.00 0.00 H new ATOM 0 HG LEU A 5 3.340 3.573 4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.434 1.450 5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.831 2.784 6.716 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.695 1.585 6.055 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.054 1.447 3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.290 1.578 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.167 2.782 2.496 1.00 0.00 H new ATOM 76 N LYS A 6 3.716 5.472 3.152 1.00 0.00 N ATOM 77 CA LYS A 6 4.351 5.110 1.885 1.00 0.00 C ATOM 78 C LYS A 6 4.807 3.646 1.877 1.00 0.00 C ATOM 79 O LYS A 6 5.261 3.122 2.894 1.00 0.00 O ATOM 80 CB LYS A 6 5.515 6.039 1.516 1.00 0.00 C ATOM 81 CG LYS A 6 5.021 7.203 0.642 1.00 0.00 C ATOM 82 CD LYS A 6 5.143 8.542 1.354 1.00 0.00 C ATOM 83 CE LYS A 6 6.557 9.106 1.142 1.00 0.00 C ATOM 84 NZ LYS A 6 6.758 10.396 1.828 1.00 0.00 N ATOM 0 H LYS A 6 4.372 5.602 3.922 1.00 0.00 H new ATOM 0 HA LYS A 6 3.584 5.235 1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.978 6.429 2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.282 5.477 0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.596 7.231 -0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.980 7.033 0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.400 9.240 0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.944 8.420 2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.290 8.386 1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.738 9.233 0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.726 10.734 1.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.077 11.093 1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.613 10.272 2.850 1.00 0.00 H new ATOM 98 N MET A 7 4.710 3.007 0.708 1.00 0.00 N ATOM 99 CA MET A 7 5.155 1.646 0.433 1.00 0.00 C ATOM 100 C MET A 7 6.078 1.662 -0.791 1.00 0.00 C ATOM 101 O MET A 7 5.937 2.540 -1.641 1.00 0.00 O ATOM 102 CB MET A 7 3.938 0.743 0.186 1.00 0.00 C ATOM 103 CG MET A 7 3.085 1.220 -1.001 1.00 0.00 C ATOM 104 SD MET A 7 2.954 0.119 -2.440 1.00 0.00 S ATOM 105 CE MET A 7 1.400 -0.764 -2.178 1.00 0.00 C ATOM 0 H MET A 7 4.297 3.452 -0.112 1.00 0.00 H new ATOM 0 HA MET A 7 5.705 1.252 1.288 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.277 -0.276 -0.000 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.322 0.715 1.085 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.077 1.414 -0.634 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.489 2.173 -1.343 1.00 0.00 H new ATOM 0 HE1 MET A 7 1.396 -1.677 -2.773 1.00 0.00 H new ATOM 0 HE2 MET A 7 1.299 -1.018 -1.123 1.00 0.00 H new ATOM 0 HE3 MET A 7 0.566 -0.130 -2.480 1.00 0.00 H new ATOM 115 N LYS A 8 6.989 0.688 -0.893 1.00 0.00 N ATOM 116 CA LYS A 8 7.903 0.528 -2.025 1.00 0.00 C ATOM 117 C LYS A 8 7.564 -0.782 -2.743 1.00 0.00 C ATOM 118 O LYS A 8 7.240 -1.765 -2.074 1.00 0.00 O ATOM 119 CB LYS A 8 9.358 0.549 -1.517 1.00 0.00 C ATOM 120 CG LYS A 8 9.962 1.965 -1.546 1.00 0.00 C ATOM 121 CD LYS A 8 10.253 2.464 -2.977 1.00 0.00 C ATOM 122 CE LYS A 8 11.735 2.433 -3.384 1.00 0.00 C ATOM 123 NZ LYS A 8 12.284 1.076 -3.240 1.00 0.00 N ATOM 0 H LYS A 8 7.113 -0.025 -0.174 1.00 0.00 H new ATOM 0 HA LYS A 8 7.793 1.348 -2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.391 0.162 -0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.965 -0.116 -2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.276 2.657 -1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.887 1.972 -0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.685 1.856 -3.681 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.887 3.486 -3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.841 2.766 -4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.302 3.128 -2.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.848 0.839 -4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.888 1.034 -2.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.504 0.395 -3.142 1.00 0.00 H new ATOM 137 N VAL A 9 7.580 -0.781 -4.084 1.00 0.00 N ATOM 138 CA VAL A 9 7.123 -1.903 -4.906 1.00 0.00 C ATOM 139 C VAL A 9 8.248 -2.414 -5.811 1.00 0.00 C ATOM 140 O VAL A 9 8.181 -2.283 -7.031 1.00 0.00 O ATOM 141 CB VAL A 9 5.863 -1.514 -5.711 1.00 0.00 C ATOM 142 CG1 VAL A 9 5.115 -2.775 -6.170 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.903 -0.678 -4.866 1.00 0.00 C ATOM 0 H VAL A 9 7.916 0.011 -4.632 1.00 0.00 H new ATOM 0 HA VAL A 9 6.846 -2.724 -4.245 1.00 0.00 H new ATOM 0 HB VAL A 9 6.195 -0.932 -6.570 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.229 -2.487 -6.736 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.769 -3.377 -6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.815 -3.358 -5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.026 -0.420 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.593 -1.252 -3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.404 0.235 -4.542 1.00 0.00 H new ATOM 153 N GLU A 10 9.273 -3.028 -5.217 1.00 0.00 N ATOM 154 CA GLU A 10 10.381 -3.562 -5.993 1.00 0.00 C ATOM 155 C GLU A 10 9.914 -4.759 -6.832 1.00 0.00 C ATOM 156 O GLU A 10 8.841 -5.318 -6.601 1.00 0.00 O ATOM 157 CB GLU A 10 11.568 -3.949 -5.110 1.00 0.00 C ATOM 158 CG GLU A 10 11.851 -2.936 -4.002 1.00 0.00 C ATOM 159 CD GLU A 10 11.887 -1.484 -4.436 1.00 0.00 C ATOM 160 OE1 GLU A 10 10.842 -0.817 -4.282 1.00 0.00 O ATOM 161 OE2 GLU A 10 12.985 -0.938 -4.687 1.00 0.00 O ATOM 0 H GLU A 10 9.354 -3.164 -4.209 1.00 0.00 H new ATOM 0 HA GLU A 10 10.725 -2.773 -6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.376 -4.924 -4.662 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.456 -4.054 -5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.090 -3.047 -3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.809 -3.184 -3.544 1.00 0.00 H new ATOM 168 N GLY A 11 10.726 -5.178 -7.806 1.00 0.00 N ATOM 169 CA GLY A 11 10.525 -6.434 -8.522 1.00 0.00 C ATOM 170 C GLY A 11 9.421 -6.379 -9.581 1.00 0.00 C ATOM 171 O GLY A 11 9.525 -7.046 -10.608 1.00 0.00 O ATOM 0 H GLY A 11 11.542 -4.652 -8.119 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.461 -6.720 -9.002 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.284 -7.216 -7.802 1.00 0.00 H new ATOM 256 N THR A 18 -0.157 -0.379 -11.614 1.00 0.00 N ATOM 257 CA THR A 18 -0.682 0.706 -10.803 1.00 0.00 C ATOM 258 C THR A 18 -2.155 0.433 -10.542 1.00 0.00 C ATOM 259 O THR A 18 -2.500 -0.077 -9.484 1.00 0.00 O ATOM 260 CB THR A 18 -0.493 2.037 -11.544 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.918 1.880 -12.887 1.00 0.00 O ATOM 262 CG2 THR A 18 0.972 2.463 -11.538 1.00 0.00 C ATOM 0 HA THR A 18 -0.153 0.771 -9.852 1.00 0.00 H new ATOM 0 HB THR A 18 -1.082 2.803 -11.039 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.876 0.933 -13.135 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.078 3.409 -12.069 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.311 2.585 -10.509 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.575 1.700 -12.031 1.00 0.00 H new ATOM 270 N SER A 19 -3.025 0.740 -11.504 1.00 0.00 N ATOM 271 CA SER A 19 -4.464 0.758 -11.293 1.00 0.00 C ATOM 272 C SER A 19 -5.017 -0.532 -10.721 1.00 0.00 C ATOM 273 O SER A 19 -5.901 -0.498 -9.867 1.00 0.00 O ATOM 274 CB SER A 19 -5.170 1.178 -12.582 1.00 0.00 C ATOM 275 OG SER A 19 -4.454 2.253 -13.158 1.00 0.00 O ATOM 0 H SER A 19 -2.746 0.984 -12.454 1.00 0.00 H new ATOM 0 HA SER A 19 -4.669 1.501 -10.522 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.219 0.340 -13.277 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.197 1.477 -12.371 1.00 0.00 H new ATOM 0 HG SER A 19 -4.895 2.532 -13.988 1.00 0.00 H new ATOM 281 N THR A 20 -4.459 -1.656 -11.156 1.00 0.00 N ATOM 282 CA THR A 20 -4.706 -2.929 -10.526 1.00 0.00 C ATOM 283 C THR A 20 -4.503 -2.847 -9.013 1.00 0.00 C ATOM 284 O THR A 20 -5.429 -3.097 -8.244 1.00 0.00 O ATOM 285 CB THR A 20 -3.775 -3.959 -11.169 1.00 0.00 C ATOM 286 OG1 THR A 20 -4.066 -4.043 -12.548 1.00 0.00 O ATOM 287 CG2 THR A 20 -3.979 -5.304 -10.489 1.00 0.00 C ATOM 0 H THR A 20 -3.825 -1.701 -11.954 1.00 0.00 H new ATOM 0 HA THR A 20 -5.743 -3.228 -10.677 1.00 0.00 H new ATOM 0 HB THR A 20 -2.733 -3.662 -11.049 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.472 -4.700 -12.968 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.319 -6.044 -10.941 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.749 -5.214 -9.427 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.015 -5.620 -10.610 1.00 0.00 H new ATOM 295 N ILE A 21 -3.281 -2.516 -8.593 1.00 0.00 N ATOM 296 CA ILE A 21 -2.935 -2.363 -7.198 1.00 0.00 C ATOM 297 C ILE A 21 -3.899 -1.360 -6.570 1.00 0.00 C ATOM 298 O ILE A 21 -4.506 -1.685 -5.555 1.00 0.00 O ATOM 299 CB ILE A 21 -1.442 -1.983 -7.088 1.00 0.00 C ATOM 300 CG1 ILE A 21 -0.548 -3.230 -7.145 1.00 0.00 C ATOM 301 CG2 ILE A 21 -1.068 -1.220 -5.822 1.00 0.00 C ATOM 302 CD1 ILE A 21 -0.281 -3.670 -8.576 1.00 0.00 C ATOM 0 H ILE A 21 -2.501 -2.347 -9.228 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.046 -3.291 -6.637 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.278 -1.324 -7.941 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.399 -3.021 -6.647 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.024 -4.044 -6.598 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.001 -0.997 -5.833 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.633 -0.289 -5.778 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.302 -1.828 -4.948 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.355 -4.555 -8.572 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.226 -3.904 -9.067 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.219 -2.866 -9.116 1.00 0.00 H new ATOM 314 N GLU A 22 -4.077 -0.182 -7.178 1.00 0.00 N ATOM 315 CA GLU A 22 -4.889 0.875 -6.601 1.00 0.00 C ATOM 316 C GLU A 22 -6.305 0.381 -6.319 1.00 0.00 C ATOM 317 O GLU A 22 -6.736 0.253 -5.178 1.00 0.00 O ATOM 318 CB GLU A 22 -4.919 2.117 -7.502 1.00 0.00 C ATOM 319 CG GLU A 22 -3.551 2.802 -7.593 1.00 0.00 C ATOM 320 CD GLU A 22 -3.651 4.276 -7.971 1.00 0.00 C ATOM 321 OE1 GLU A 22 -4.745 4.693 -8.406 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.624 4.965 -7.791 1.00 0.00 O ATOM 0 H GLU A 22 -3.662 0.057 -8.078 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.429 1.162 -5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.247 1.830 -8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.653 2.825 -7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.040 2.712 -6.634 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.939 2.283 -8.331 1.00 0.00 H new ATOM 329 N GLY A 23 -7.019 0.104 -7.397 1.00 0.00 N ATOM 330 CA GLY A 23 -8.380 -0.401 -7.415 1.00 0.00 C ATOM 331 C GLY A 23 -8.564 -1.592 -6.477 1.00 0.00 C ATOM 332 O GLY A 23 -9.500 -1.607 -5.679 1.00 0.00 O ATOM 0 H GLY A 23 -6.642 0.233 -8.336 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.066 0.396 -7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.643 -0.696 -8.431 1.00 0.00 H new ATOM 336 N LYS A 24 -7.687 -2.599 -6.565 1.00 0.00 N ATOM 337 CA LYS A 24 -7.804 -3.787 -5.733 1.00 0.00 C ATOM 338 C LYS A 24 -7.661 -3.399 -4.261 1.00 0.00 C ATOM 339 O LYS A 24 -8.528 -3.723 -3.455 1.00 0.00 O ATOM 340 CB LYS A 24 -6.802 -4.858 -6.199 1.00 0.00 C ATOM 341 CG LYS A 24 -7.103 -6.283 -5.708 1.00 0.00 C ATOM 342 CD LYS A 24 -6.467 -6.623 -4.352 1.00 0.00 C ATOM 343 CE LYS A 24 -6.708 -8.110 -4.034 1.00 0.00 C ATOM 344 NZ LYS A 24 -6.082 -8.542 -2.763 1.00 0.00 N ATOM 0 H LYS A 24 -6.893 -2.609 -7.205 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.792 -4.235 -5.839 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.778 -4.862 -7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.806 -4.575 -5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.183 -6.410 -5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.749 -6.996 -6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.398 -6.413 -4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.897 -5.998 -3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.781 -8.295 -3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.316 -8.718 -4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.442 -9.482 -2.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.050 -8.587 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.314 -7.860 -2.012 1.00 0.00 H new ATOM 358 N ILE A 25 -6.596 -2.677 -3.903 1.00 0.00 N ATOM 359 CA ILE A 25 -6.398 -2.164 -2.556 1.00 0.00 C ATOM 360 C ILE A 25 -7.589 -1.318 -2.106 1.00 0.00 C ATOM 361 O ILE A 25 -7.999 -1.404 -0.953 1.00 0.00 O ATOM 362 CB ILE A 25 -5.056 -1.404 -2.514 1.00 0.00 C ATOM 363 CG1 ILE A 25 -3.832 -2.326 -2.546 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.966 -0.395 -1.375 1.00 0.00 C ATOM 365 CD1 ILE A 25 -3.854 -3.245 -1.338 1.00 0.00 C ATOM 0 H ILE A 25 -5.845 -2.433 -4.549 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.344 -2.985 -1.841 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.040 -0.831 -3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.832 -2.915 -3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.917 -1.733 -2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.997 0.103 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.758 0.346 -1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.079 -0.911 -0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.983 -3.900 -1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.833 -2.648 -0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.762 -3.848 -1.356 1.00 0.00 H new ATOM 377 N GLY A 26 -8.190 -0.562 -3.022 1.00 0.00 N ATOM 378 CA GLY A 26 -9.381 0.229 -2.780 1.00 0.00 C ATOM 379 C GLY A 26 -10.551 -0.575 -2.210 1.00 0.00 C ATOM 380 O GLY A 26 -11.466 0.027 -1.654 1.00 0.00 O ATOM 0 H GLY A 26 -7.847 -0.485 -3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.136 1.036 -2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.693 0.694 -3.715 1.00 0.00 H new ATOM 384 N LYS A 27 -10.563 -1.910 -2.337 1.00 0.00 N ATOM 385 CA LYS A 27 -11.605 -2.726 -1.760 1.00 0.00 C ATOM 386 C LYS A 27 -11.241 -3.164 -0.341 1.00 0.00 C ATOM 387 O LYS A 27 -12.121 -3.600 0.399 1.00 0.00 O ATOM 388 CB LYS A 27 -11.849 -3.923 -2.679 1.00 0.00 C ATOM 389 CG LYS A 27 -12.649 -3.513 -3.924 1.00 0.00 C ATOM 390 CD LYS A 27 -13.158 -4.751 -4.673 1.00 0.00 C ATOM 391 CE LYS A 27 -14.113 -4.336 -5.804 1.00 0.00 C ATOM 392 NZ LYS A 27 -14.739 -5.500 -6.466 1.00 0.00 N ATOM 0 H LYS A 27 -9.850 -2.437 -2.841 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.524 -2.147 -1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.894 -4.353 -2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.389 -4.698 -2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.492 -2.887 -3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.022 -2.914 -4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.316 -5.307 -5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.672 -5.418 -3.980 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.891 -3.689 -5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.565 -3.752 -6.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.374 -5.170 -7.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.999 -6.106 -6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.285 -6.044 -5.768 1.00 0.00 H new ATOM 406 N LEU A 28 -9.961 -3.115 0.048 1.00 0.00 N ATOM 407 CA LEU A 28 -9.542 -3.706 1.289 1.00 0.00 C ATOM 408 C LEU A 28 -10.057 -2.938 2.501 1.00 0.00 C ATOM 409 O LEU A 28 -9.942 -1.717 2.612 1.00 0.00 O ATOM 410 CB LEU A 28 -8.029 -3.817 1.345 1.00 0.00 C ATOM 411 CG LEU A 28 -7.385 -4.866 0.428 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.935 -6.021 1.317 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.283 -5.493 -0.630 1.00 0.00 C ATOM 0 H LEU A 28 -9.214 -2.671 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.978 -4.705 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.606 -2.843 1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.741 -4.039 2.373 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.599 -4.332 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.470 -6.792 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.215 -5.657 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.798 -6.440 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.711 -6.216 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.119 -5.997 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.663 -4.715 -1.292 1.00 0.00 H new ATOM 425 N GLN A 29 -10.575 -3.722 3.438 1.00 0.00 N ATOM 426 CA GLN A 29 -11.079 -3.283 4.723 1.00 0.00 C ATOM 427 C GLN A 29 -10.028 -2.439 5.450 1.00 0.00 C ATOM 428 O GLN A 29 -9.028 -2.959 5.935 1.00 0.00 O ATOM 429 CB GLN A 29 -11.579 -4.501 5.511 1.00 0.00 C ATOM 430 CG GLN A 29 -10.452 -5.489 5.819 1.00 0.00 C ATOM 431 CD GLN A 29 -10.964 -6.900 6.080 1.00 0.00 C ATOM 432 OE1 GLN A 29 -11.568 -7.513 5.206 1.00 0.00 O ATOM 433 NE2 GLN A 29 -10.718 -7.434 7.271 1.00 0.00 N ATOM 0 H GLN A 29 -10.657 -4.731 3.311 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.937 -2.622 4.601 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.033 -4.167 6.444 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.358 -5.007 4.940 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.753 -5.509 4.983 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.897 -5.141 6.690 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.213 -6.897 7.976 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.034 -8.381 7.481 1.00 0.00 H new ATOM 442 N GLY A 30 -10.251 -1.124 5.503 1.00 0.00 N ATOM 443 CA GLY A 30 -9.389 -0.190 6.209 1.00 0.00 C ATOM 444 C GLY A 30 -8.901 0.923 5.305 1.00 0.00 C ATOM 445 O GLY A 30 -8.645 2.024 5.786 1.00 0.00 O ATOM 0 H GLY A 30 -11.048 -0.678 5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.931 0.238 7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.533 -0.725 6.620 1.00 0.00 H new ATOM 449 N VAL A 31 -8.737 0.644 4.013 1.00 0.00 N ATOM 450 CA VAL A 31 -8.142 1.591 3.102 1.00 0.00 C ATOM 451 C VAL A 31 -9.202 2.585 2.634 1.00 0.00 C ATOM 452 O VAL A 31 -10.339 2.208 2.359 1.00 0.00 O ATOM 453 CB VAL A 31 -7.513 0.791 1.955 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.323 1.650 0.709 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.175 0.203 2.415 1.00 0.00 C ATOM 0 H VAL A 31 -9.013 -0.238 3.582 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.360 2.183 3.577 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.192 -0.019 1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.875 1.049 -0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.290 2.026 0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.668 2.489 0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.728 -0.366 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.503 1.011 2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.341 -0.455 3.268 1.00 0.00 H new ATOM 465 N GLN A 32 -8.806 3.854 2.519 1.00 0.00 N ATOM 466 CA GLN A 32 -9.640 4.921 1.982 1.00 0.00 C ATOM 467 C GLN A 32 -9.122 5.418 0.632 1.00 0.00 C ATOM 468 O GLN A 32 -9.922 5.687 -0.272 1.00 0.00 O ATOM 469 CB GLN A 32 -9.767 6.038 3.010 1.00 0.00 C ATOM 470 CG GLN A 32 -10.919 5.794 3.996 1.00 0.00 C ATOM 471 CD GLN A 32 -11.985 6.876 3.850 1.00 0.00 C ATOM 472 OE1 GLN A 32 -12.752 6.864 2.893 1.00 0.00 O ATOM 473 NE2 GLN A 32 -12.017 7.845 4.758 1.00 0.00 N ATOM 0 H GLN A 32 -7.879 4.171 2.803 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.638 4.528 1.788 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.832 6.128 3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.926 6.986 2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.360 4.814 3.814 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.537 5.787 5.017 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -11.367 7.829 5.544 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -12.692 8.605 4.669 1.00 0.00 H new ATOM 482 N ARG A 33 -7.803 5.580 0.478 1.00 0.00 N ATOM 483 CA ARG A 33 -7.208 6.060 -0.764 1.00 0.00 C ATOM 484 C ARG A 33 -5.856 5.381 -0.984 1.00 0.00 C ATOM 485 O ARG A 33 -5.238 4.904 -0.031 1.00 0.00 O ATOM 486 CB ARG A 33 -7.050 7.594 -0.707 1.00 0.00 C ATOM 487 CG ARG A 33 -7.313 8.293 -2.050 1.00 0.00 C ATOM 488 CD ARG A 33 -8.728 8.885 -2.127 1.00 0.00 C ATOM 489 NE ARG A 33 -9.752 7.871 -1.838 1.00 0.00 N ATOM 490 CZ ARG A 33 -11.064 7.954 -2.099 1.00 0.00 C ATOM 491 NH1 ARG A 33 -11.581 9.066 -2.633 1.00 0.00 N ATOM 492 NH2 ARG A 33 -11.832 6.904 -1.800 1.00 0.00 N ATOM 0 H ARG A 33 -7.123 5.381 1.212 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.859 5.812 -1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.735 7.993 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.040 7.834 -0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.580 9.087 -2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.174 7.580 -2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.819 9.708 -1.418 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.896 9.301 -3.120 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.430 7.013 -1.391 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.976 9.859 -2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.581 9.121 -2.829 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.417 6.070 -1.385 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.834 6.936 -1.986 1.00 0.00 H new ATOM 506 N ILE A 34 -5.402 5.379 -2.239 1.00 0.00 N ATOM 507 CA ILE A 34 -4.099 4.907 -2.664 1.00 0.00 C ATOM 508 C ILE A 34 -3.652 5.774 -3.846 1.00 0.00 C ATOM 509 O ILE A 34 -4.504 6.251 -4.594 1.00 0.00 O ATOM 510 CB ILE A 34 -4.140 3.394 -2.971 1.00 0.00 C ATOM 511 CG1 ILE A 34 -2.766 2.947 -3.498 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.268 2.993 -3.943 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.496 1.446 -3.363 1.00 0.00 C ATOM 0 H ILE A 34 -5.965 5.724 -3.016 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.357 5.010 -1.872 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.367 2.877 -2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.685 3.226 -4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.989 3.493 -2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.236 1.917 -4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.232 3.264 -3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.134 3.514 -4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.506 1.217 -3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.542 1.161 -2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.248 0.889 -3.923 1.00 0.00 H new ATOM 525 N LYS A 35 -2.343 6.027 -3.950 1.00 0.00 N ATOM 526 CA LYS A 35 -1.663 6.710 -5.045 1.00 0.00 C ATOM 527 C LYS A 35 -0.394 5.904 -5.338 1.00 0.00 C ATOM 528 O LYS A 35 0.513 5.940 -4.509 1.00 0.00 O ATOM 529 CB LYS A 35 -1.261 8.133 -4.594 1.00 0.00 C ATOM 530 CG LYS A 35 -1.998 9.269 -5.306 1.00 0.00 C ATOM 531 CD LYS A 35 -3.485 9.317 -4.947 1.00 0.00 C ATOM 532 CE LYS A 35 -4.082 10.644 -5.435 1.00 0.00 C ATOM 533 NZ LYS A 35 -5.533 10.717 -5.188 1.00 0.00 N ATOM 0 H LYS A 35 -1.691 5.739 -3.220 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.305 6.786 -5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.437 8.221 -3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.190 8.259 -4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.533 10.220 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.891 9.148 -6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.009 8.479 -5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.614 9.222 -3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.586 11.473 -4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.889 10.759 -6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.898 11.628 -5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.010 9.941 -5.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.716 10.633 -4.168 1.00 0.00 H new ATOM 547 N VAL A 36 -0.303 5.191 -6.463 1.00 0.00 N ATOM 548 CA VAL A 36 0.898 4.466 -6.877 1.00 0.00 C ATOM 549 C VAL A 36 1.615 5.262 -7.961 1.00 0.00 C ATOM 550 O VAL A 36 1.051 5.487 -9.029 1.00 0.00 O ATOM 551 CB VAL A 36 0.545 3.057 -7.384 1.00 0.00 C ATOM 552 CG1 VAL A 36 1.810 2.267 -7.746 1.00 0.00 C ATOM 553 CG2 VAL A 36 -0.203 2.234 -6.334 1.00 0.00 C ATOM 0 H VAL A 36 -1.076 5.100 -7.122 1.00 0.00 H new ATOM 0 HA VAL A 36 1.557 4.350 -6.016 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.088 3.211 -8.258 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.530 1.275 -8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.355 2.793 -8.530 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.444 2.171 -6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.430 1.248 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.419 2.127 -5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.131 2.740 -6.069 1.00 0.00 H new ATOM 563 N SER A 37 2.870 5.651 -7.714 1.00 0.00 N ATOM 564 CA SER A 37 3.723 6.228 -8.739 1.00 0.00 C ATOM 565 C SER A 37 4.745 5.168 -9.127 1.00 0.00 C ATOM 566 O SER A 37 5.813 5.073 -8.521 1.00 0.00 O ATOM 567 CB SER A 37 4.370 7.512 -8.225 1.00 0.00 C ATOM 568 OG SER A 37 5.138 8.089 -9.263 1.00 0.00 O ATOM 0 H SER A 37 3.315 5.572 -6.799 1.00 0.00 H new ATOM 0 HA SER A 37 3.152 6.511 -9.623 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.604 8.211 -7.890 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.003 7.296 -7.364 1.00 0.00 H new ATOM 0 HG SER A 37 5.289 9.038 -9.070 1.00 0.00 H new ATOM 574 N LEU A 38 4.407 4.354 -10.131 1.00 0.00 N ATOM 575 CA LEU A 38 5.306 3.331 -10.647 1.00 0.00 C ATOM 576 C LEU A 38 6.649 3.979 -10.995 1.00 0.00 C ATOM 577 O LEU A 38 7.695 3.489 -10.584 1.00 0.00 O ATOM 578 CB LEU A 38 4.678 2.640 -11.863 1.00 0.00 C ATOM 579 CG LEU A 38 4.999 1.143 -11.955 1.00 0.00 C ATOM 580 CD1 LEU A 38 4.299 0.635 -13.212 1.00 0.00 C ATOM 581 CD2 LEU A 38 6.503 0.860 -12.021 1.00 0.00 C ATOM 0 H LEU A 38 3.504 4.389 -10.604 1.00 0.00 H new ATOM 0 HA LEU A 38 5.476 2.565 -9.891 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.596 2.769 -11.825 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.026 3.134 -12.770 1.00 0.00 H new ATOM 0 HG LEU A 38 4.650 0.633 -11.057 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.493 -0.431 -13.331 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.225 0.801 -13.123 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.678 1.172 -14.082 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.668 -0.215 -12.085 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.926 1.345 -12.901 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.986 1.249 -11.125 1.00 0.00 H new ATOM 593 N ASP A 39 6.599 5.122 -11.684 1.00 0.00 N ATOM 594 CA ASP A 39 7.721 6.010 -11.949 1.00 0.00 C ATOM 595 C ASP A 39 8.595 6.157 -10.714 1.00 0.00 C ATOM 596 O ASP A 39 9.800 5.912 -10.754 1.00 0.00 O ATOM 597 CB ASP A 39 7.205 7.410 -12.313 1.00 0.00 C ATOM 598 CG ASP A 39 6.146 7.395 -13.410 1.00 0.00 C ATOM 599 OD1 ASP A 39 5.117 6.715 -13.180 1.00 0.00 O ATOM 600 OD2 ASP A 39 6.385 8.047 -14.446 1.00 0.00 O ATOM 0 H ASP A 39 5.729 5.465 -12.090 1.00 0.00 H new ATOM 0 HA ASP A 39 8.297 5.579 -12.768 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.789 7.879 -11.422 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.044 8.027 -12.636 1.00 0.00 H new ATOM 605 N ASN A 40 7.978 6.598 -9.612 1.00 0.00 N ATOM 606 CA ASN A 40 8.718 6.877 -8.397 1.00 0.00 C ATOM 607 C ASN A 40 9.132 5.578 -7.694 1.00 0.00 C ATOM 608 O ASN A 40 9.972 5.607 -6.796 1.00 0.00 O ATOM 609 CB ASN A 40 7.922 7.770 -7.437 1.00 0.00 C ATOM 610 CG ASN A 40 8.812 8.733 -6.655 1.00 0.00 C ATOM 611 OD1 ASN A 40 8.611 9.942 -6.705 1.00 0.00 O ATOM 612 ND2 ASN A 40 9.802 8.226 -5.930 1.00 0.00 N ATOM 0 H ASN A 40 6.974 6.766 -9.546 1.00 0.00 H new ATOM 0 HA ASN A 40 9.618 7.419 -8.689 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.186 8.340 -8.004 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.369 7.143 -6.737 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.415 8.845 -5.399 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.950 7.217 -5.904 1.00 0.00 H new ATOM 619 N GLN A 41 8.481 4.460 -8.047 1.00 0.00 N ATOM 620 CA GLN A 41 8.623 3.117 -7.474 1.00 0.00 C ATOM 621 C GLN A 41 7.989 3.015 -6.085 1.00 0.00 C ATOM 622 O GLN A 41 8.034 1.965 -5.437 1.00 0.00 O ATOM 623 CB GLN A 41 10.083 2.652 -7.511 1.00 0.00 C ATOM 624 CG GLN A 41 10.633 2.921 -8.907 1.00 0.00 C ATOM 625 CD GLN A 41 12.020 2.332 -9.119 1.00 0.00 C ATOM 626 OE1 GLN A 41 12.195 1.379 -9.871 1.00 0.00 O ATOM 627 NE2 GLN A 41 13.025 2.899 -8.460 1.00 0.00 N ATOM 0 H GLN A 41 7.790 4.474 -8.797 1.00 0.00 H new ATOM 0 HA GLN A 41 8.062 2.424 -8.101 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.670 3.183 -6.762 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.150 1.590 -7.274 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.950 2.505 -9.648 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.671 3.997 -9.076 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.847 3.690 -7.842 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.974 2.543 -8.573 1.00 0.00 H new ATOM 636 N GLU A 42 7.381 4.122 -5.661 1.00 0.00 N ATOM 637 CA GLU A 42 6.715 4.304 -4.384 1.00 0.00 C ATOM 638 C GLU A 42 5.206 4.433 -4.603 1.00 0.00 C ATOM 639 O GLU A 42 4.760 4.927 -5.643 1.00 0.00 O ATOM 640 CB GLU A 42 7.291 5.542 -3.661 1.00 0.00 C ATOM 641 CG GLU A 42 7.364 5.273 -2.146 1.00 0.00 C ATOM 642 CD GLU A 42 8.005 6.378 -1.316 1.00 0.00 C ATOM 643 OE1 GLU A 42 7.736 7.565 -1.592 1.00 0.00 O ATOM 644 OE2 GLU A 42 8.708 6.015 -0.344 1.00 0.00 O ATOM 0 H GLU A 42 7.341 4.962 -6.238 1.00 0.00 H new ATOM 0 HA GLU A 42 6.892 3.435 -3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.284 5.771 -4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.665 6.413 -3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.353 5.103 -1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.922 4.351 -1.984 1.00 0.00 H new ATOM 651 N ALA A 43 4.417 4.029 -3.604 1.00 0.00 N ATOM 652 CA ALA A 43 3.014 4.407 -3.511 1.00 0.00 C ATOM 653 C ALA A 43 2.764 5.010 -2.137 1.00 0.00 C ATOM 654 O ALA A 43 3.529 4.746 -1.210 1.00 0.00 O ATOM 655 CB ALA A 43 2.090 3.209 -3.739 1.00 0.00 C ATOM 0 H ALA A 43 4.737 3.432 -2.841 1.00 0.00 H new ATOM 0 HA ALA A 43 2.793 5.136 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.051 3.531 -3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.269 2.795 -4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.291 2.446 -2.986 1.00 0.00 H new ATOM 661 N THR A 44 1.677 5.772 -2.003 1.00 0.00 N ATOM 662 CA THR A 44 1.200 6.369 -0.784 1.00 0.00 C ATOM 663 C THR A 44 -0.196 5.800 -0.565 1.00 0.00 C ATOM 664 O THR A 44 -0.997 5.839 -1.500 1.00 0.00 O ATOM 665 CB THR A 44 1.167 7.888 -0.981 1.00 0.00 C ATOM 666 OG1 THR A 44 2.477 8.377 -1.195 1.00 0.00 O ATOM 667 CG2 THR A 44 0.578 8.570 0.246 1.00 0.00 C ATOM 0 H THR A 44 1.080 5.994 -2.800 1.00 0.00 H new ATOM 0 HA THR A 44 1.830 6.158 0.080 1.00 0.00 H new ATOM 0 HB THR A 44 0.545 8.107 -1.849 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.447 9.348 -1.322 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.562 9.649 0.090 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.438 8.211 0.409 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.188 8.339 1.119 1.00 0.00 H new ATOM 675 N ILE A 45 -0.485 5.248 0.619 1.00 0.00 N ATOM 676 CA ILE A 45 -1.793 4.687 0.935 1.00 0.00 C ATOM 677 C ILE A 45 -2.341 5.395 2.174 1.00 0.00 C ATOM 678 O ILE A 45 -1.562 6.029 2.885 1.00 0.00 O ATOM 679 CB ILE A 45 -1.710 3.171 1.118 1.00 0.00 C ATOM 680 CG1 ILE A 45 -0.898 2.572 -0.035 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.134 2.576 1.113 1.00 0.00 C ATOM 682 CD1 ILE A 45 -0.471 1.172 0.336 1.00 0.00 C ATOM 0 H ILE A 45 0.187 5.180 1.383 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.482 4.853 0.107 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.226 2.938 2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.496 2.554 -0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.024 3.190 -0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.077 1.495 1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.713 3.010 1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.619 2.802 0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.107 0.740 -0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.142 1.205 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.353 0.559 0.520 1.00 0.00 H new ATOM 694 N VAL A 46 -3.649 5.297 2.439 1.00 0.00 N ATOM 695 CA VAL A 46 -4.270 5.877 3.621 1.00 0.00 C ATOM 696 C VAL A 46 -5.248 4.877 4.253 1.00 0.00 C ATOM 697 O VAL A 46 -6.186 4.432 3.585 1.00 0.00 O ATOM 698 CB VAL A 46 -4.812 7.277 3.320 1.00 0.00 C ATOM 699 CG1 VAL A 46 -6.066 7.232 2.495 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.075 8.076 4.592 1.00 0.00 C ATOM 0 H VAL A 46 -4.306 4.808 1.831 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.531 6.054 4.402 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.033 7.778 2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.414 8.248 2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.860 6.737 1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.836 6.679 3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.458 9.062 4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.809 7.553 5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.146 8.185 5.152 1.00 0.00 H new ATOM 710 N TYR A 47 -4.974 4.471 5.500 1.00 0.00 N ATOM 711 CA TYR A 47 -5.718 3.449 6.235 1.00 0.00 C ATOM 712 C TYR A 47 -5.496 3.620 7.744 1.00 0.00 C ATOM 713 O TYR A 47 -4.809 4.552 8.151 1.00 0.00 O ATOM 714 CB TYR A 47 -5.309 2.051 5.760 1.00 0.00 C ATOM 715 CG TYR A 47 -3.874 1.668 6.054 1.00 0.00 C ATOM 716 CD1 TYR A 47 -3.557 0.998 7.248 1.00 0.00 C ATOM 717 CD2 TYR A 47 -2.877 1.875 5.084 1.00 0.00 C ATOM 718 CE1 TYR A 47 -2.281 0.445 7.423 1.00 0.00 C ATOM 719 CE2 TYR A 47 -1.602 1.314 5.254 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.314 0.577 6.415 1.00 0.00 C ATOM 721 OH TYR A 47 -0.098 -0.008 6.572 1.00 0.00 O ATOM 0 H TYR A 47 -4.201 4.861 6.040 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.783 3.567 6.038 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.967 1.318 6.227 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.473 1.987 4.684 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.296 0.909 8.030 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.093 2.467 4.207 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.042 -0.083 8.334 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.845 1.448 4.495 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.217 -0.934 6.870 1.00 0.00 H new ATOM 731 N GLN A 48 -6.088 2.764 8.586 1.00 0.00 N ATOM 732 CA GLN A 48 -5.921 2.791 10.034 1.00 0.00 C ATOM 733 C GLN A 48 -5.700 1.397 10.640 1.00 0.00 C ATOM 734 O GLN A 48 -6.221 0.410 10.113 1.00 0.00 O ATOM 735 CB GLN A 48 -7.133 3.475 10.667 1.00 0.00 C ATOM 736 CG GLN A 48 -8.412 3.194 9.886 1.00 0.00 C ATOM 737 CD GLN A 48 -9.664 3.463 10.716 1.00 0.00 C ATOM 738 OE1 GLN A 48 -9.982 2.685 11.610 1.00 0.00 O ATOM 739 NE2 GLN A 48 -10.394 4.541 10.449 1.00 0.00 N ATOM 0 H GLN A 48 -6.708 2.020 8.267 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.016 3.358 10.253 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.251 3.129 11.694 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.962 4.551 10.710 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.432 3.814 8.990 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.413 2.155 9.555 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.112 5.175 9.702 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.236 4.734 10.992 1.00 0.00 H new ATOM 748 N PRO A 49 -4.951 1.311 11.758 1.00 0.00 N ATOM 749 CA PRO A 49 -4.581 0.061 12.405 1.00 0.00 C ATOM 750 C PRO A 49 -5.763 -0.477 13.215 1.00 0.00 C ATOM 751 O PRO A 49 -5.735 -0.501 14.444 1.00 0.00 O ATOM 752 CB PRO A 49 -3.391 0.430 13.299 1.00 0.00 C ATOM 753 CG PRO A 49 -3.740 1.845 13.754 1.00 0.00 C ATOM 754 CD PRO A 49 -4.385 2.435 12.502 1.00 0.00 C ATOM 0 HA PRO A 49 -4.317 -0.728 11.701 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.291 -0.253 14.142 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.449 0.401 12.752 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.424 1.843 14.602 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.856 2.405 14.059 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.160 3.154 12.767 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.648 2.967 11.900 1.00 0.00 H new ATOM 762 N HIS A 50 -6.819 -0.894 12.516 1.00 0.00 N ATOM 763 CA HIS A 50 -8.004 -1.491 13.115 1.00 0.00 C ATOM 764 C HIS A 50 -8.574 -2.535 12.165 1.00 0.00 C ATOM 765 O HIS A 50 -8.750 -3.690 12.542 1.00 0.00 O ATOM 766 CB HIS A 50 -9.050 -0.413 13.449 1.00 0.00 C ATOM 767 CG HIS A 50 -9.147 -0.112 14.923 1.00 0.00 C ATOM 768 ND1 HIS A 50 -8.089 0.082 15.781 1.00 0.00 N ATOM 769 CD2 HIS A 50 -10.293 -0.100 15.672 1.00 0.00 C ATOM 770 CE1 HIS A 50 -8.592 0.219 17.019 1.00 0.00 C ATOM 771 NE2 HIS A 50 -9.931 0.115 17.005 1.00 0.00 N ATOM 0 H HIS A 50 -6.872 -0.823 11.500 1.00 0.00 H new ATOM 0 HA HIS A 50 -7.729 -1.977 14.051 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.801 0.503 12.914 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.025 -0.738 13.087 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -7.103 0.116 15.524 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.298 -0.233 15.299 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -8.000 0.390 17.906 1.00 0.00 H new ATOM 779 N LEU A 51 -8.874 -2.125 10.933 1.00 0.00 N ATOM 780 CA LEU A 51 -9.466 -3.023 9.961 1.00 0.00 C ATOM 781 C LEU A 51 -8.379 -3.888 9.326 1.00 0.00 C ATOM 782 O LEU A 51 -8.672 -5.011 8.917 1.00 0.00 O ATOM 783 CB LEU A 51 -10.242 -2.230 8.905 1.00 0.00 C ATOM 784 CG LEU A 51 -11.472 -1.477 9.448 1.00 0.00 C ATOM 785 CD1 LEU A 51 -11.131 -0.082 9.994 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.507 -1.308 8.328 1.00 0.00 C ATOM 0 H LEU A 51 -8.714 -1.177 10.592 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.174 -3.682 10.463 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.567 -1.511 8.440 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.567 -2.914 8.121 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.863 -2.076 10.270 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.039 0.397 10.361 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.415 -0.176 10.810 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.698 0.524 9.199 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.376 -0.775 8.713 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.067 -0.740 7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.814 -2.289 7.965 1.00 0.00 H new ATOM 798 N ILE A 52 -7.141 -3.373 9.239 1.00 0.00 N ATOM 799 CA ILE A 52 -6.030 -4.068 8.627 1.00 0.00 C ATOM 800 C ILE A 52 -4.935 -4.284 9.664 1.00 0.00 C ATOM 801 O ILE A 52 -4.707 -3.407 10.497 1.00 0.00 O ATOM 802 CB ILE A 52 -5.592 -3.271 7.399 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.658 -4.053 6.478 1.00 0.00 C ATOM 804 CG2 ILE A 52 -4.906 -1.977 7.793 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.336 -5.304 5.937 1.00 0.00 C ATOM 0 H ILE A 52 -6.896 -2.451 9.600 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.305 -5.064 8.279 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.512 -3.057 6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.346 -3.418 5.649 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.756 -4.332 7.023 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.608 -1.435 6.895 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.593 -1.363 8.375 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.023 -2.201 8.392 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.646 -5.839 5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.625 -5.949 6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.224 -5.021 5.371 1.00 0.00 H new ATOM 817 N SER A 53 -4.206 -5.403 9.602 1.00 0.00 N ATOM 818 CA SER A 53 -3.218 -5.755 10.621 1.00 0.00 C ATOM 819 C SER A 53 -1.883 -5.057 10.430 1.00 0.00 C ATOM 820 O SER A 53 -0.830 -5.616 10.728 1.00 0.00 O ATOM 821 CB SER A 53 -3.020 -7.253 10.716 1.00 0.00 C ATOM 822 OG SER A 53 -4.253 -7.908 10.919 1.00 0.00 O ATOM 0 H SER A 53 -4.285 -6.085 8.848 1.00 0.00 H new ATOM 0 HA SER A 53 -3.633 -5.397 11.563 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.553 -7.622 9.803 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.341 -7.484 11.537 1.00 0.00 H new ATOM 0 HG SER A 53 -4.801 -7.832 10.110 1.00 0.00 H new ATOM 828 N VAL A 54 -1.947 -3.829 9.928 1.00 0.00 N ATOM 829 CA VAL A 54 -0.861 -2.895 9.711 1.00 0.00 C ATOM 830 C VAL A 54 -0.065 -3.362 8.501 1.00 0.00 C ATOM 831 O VAL A 54 -0.002 -2.697 7.471 1.00 0.00 O ATOM 832 CB VAL A 54 -0.068 -2.685 11.026 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.437 -2.956 10.932 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.263 -1.251 11.508 1.00 0.00 C ATOM 0 H VAL A 54 -2.841 -3.432 9.639 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.211 -1.893 9.462 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.470 -3.421 11.722 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.900 -2.781 11.903 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.602 -3.991 10.633 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.881 -2.289 10.193 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.293 -1.099 12.433 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.101 -0.559 10.748 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.322 -1.068 11.688 1.00 0.00 H new ATOM 844 N GLU A 55 0.501 -4.552 8.619 1.00 0.00 N ATOM 845 CA GLU A 55 1.376 -5.133 7.647 1.00 0.00 C ATOM 846 C GLU A 55 0.558 -5.761 6.529 1.00 0.00 C ATOM 847 O GLU A 55 0.953 -5.628 5.370 1.00 0.00 O ATOM 848 CB GLU A 55 2.267 -6.156 8.352 1.00 0.00 C ATOM 849 CG GLU A 55 3.741 -5.826 8.065 1.00 0.00 C ATOM 850 CD GLU A 55 4.699 -6.933 8.474 1.00 0.00 C ATOM 851 OE1 GLU A 55 4.226 -8.080 8.613 1.00 0.00 O ATOM 852 OE2 GLU A 55 5.910 -6.634 8.534 1.00 0.00 O ATOM 0 H GLU A 55 0.350 -5.152 9.430 1.00 0.00 H new ATOM 0 HA GLU A 55 2.012 -4.374 7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.081 -6.139 9.426 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.033 -7.162 8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.860 -5.628 7.000 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.010 -4.910 8.592 1.00 0.00 H new ATOM 859 N GLU A 56 -0.562 -6.428 6.869 1.00 0.00 N ATOM 860 CA GLU A 56 -1.377 -7.177 5.912 1.00 0.00 C ATOM 861 C GLU A 56 -1.509 -6.430 4.588 1.00 0.00 C ATOM 862 O GLU A 56 -1.284 -6.996 3.519 1.00 0.00 O ATOM 863 CB GLU A 56 -2.774 -7.382 6.493 1.00 0.00 C ATOM 864 CG GLU A 56 -2.947 -8.704 7.235 1.00 0.00 C ATOM 865 CD GLU A 56 -4.355 -8.787 7.808 1.00 0.00 C ATOM 866 OE1 GLU A 56 -4.783 -7.757 8.382 1.00 0.00 O ATOM 867 OE2 GLU A 56 -4.977 -9.856 7.658 1.00 0.00 O ATOM 0 H GLU A 56 -0.923 -6.458 7.823 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.887 -8.133 5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.997 -6.562 7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.504 -7.332 5.685 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.769 -9.539 6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.212 -8.782 8.036 1.00 0.00 H new ATOM 874 N MET A 57 -1.850 -5.146 4.705 1.00 0.00 N ATOM 875 CA MET A 57 -1.930 -4.187 3.622 1.00 0.00 C ATOM 876 C MET A 57 -0.850 -4.463 2.566 1.00 0.00 C ATOM 877 O MET A 57 -1.162 -4.791 1.423 1.00 0.00 O ATOM 878 CB MET A 57 -1.861 -2.767 4.239 1.00 0.00 C ATOM 879 CG MET A 57 -3.017 -1.854 3.810 1.00 0.00 C ATOM 880 SD MET A 57 -2.738 -0.766 2.404 1.00 0.00 S ATOM 881 CE MET A 57 -2.124 -1.918 1.168 1.00 0.00 C ATOM 0 H MET A 57 -2.088 -4.734 5.607 1.00 0.00 H new ATOM 0 HA MET A 57 -2.874 -4.275 3.084 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.860 -2.852 5.326 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.917 -2.302 3.955 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.877 -2.484 3.582 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.292 -1.236 4.664 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.276 -1.500 0.173 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.060 -2.092 1.329 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.663 -2.862 1.251 1.00 0.00 H new ATOM 891 N LYS A 58 0.423 -4.307 2.926 1.00 0.00 N ATOM 892 CA LYS A 58 1.529 -4.571 2.020 1.00 0.00 C ATOM 893 C LYS A 58 1.783 -6.058 1.843 1.00 0.00 C ATOM 894 O LYS A 58 2.051 -6.513 0.732 1.00 0.00 O ATOM 895 CB LYS A 58 2.792 -3.858 2.512 1.00 0.00 C ATOM 896 CG LYS A 58 3.387 -2.967 1.420 1.00 0.00 C ATOM 897 CD LYS A 58 3.866 -3.782 0.213 1.00 0.00 C ATOM 898 CE LYS A 58 4.125 -2.837 -0.959 1.00 0.00 C ATOM 899 NZ LYS A 58 3.846 -3.457 -2.265 1.00 0.00 N ATOM 0 H LYS A 58 0.712 -3.994 3.853 1.00 0.00 H new ATOM 0 HA LYS A 58 1.256 -4.178 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.554 -3.254 3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.531 -4.596 2.825 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.640 -2.243 1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.223 -2.400 1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.776 -4.327 0.465 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.116 -4.524 -0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.507 -1.947 -0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.164 -2.509 -0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.502 -3.077 -2.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.971 -4.487 -2.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.868 -3.245 -2.548 1.00 0.00 H new ATOM 913 N LYS A 59 1.724 -6.821 2.930 1.00 0.00 N ATOM 914 CA LYS A 59 2.067 -8.226 2.878 1.00 0.00 C ATOM 915 C LYS A 59 1.197 -8.988 1.875 1.00 0.00 C ATOM 916 O LYS A 59 1.641 -10.003 1.345 1.00 0.00 O ATOM 917 CB LYS A 59 2.060 -8.842 4.282 1.00 0.00 C ATOM 918 CG LYS A 59 3.117 -8.225 5.216 1.00 0.00 C ATOM 919 CD LYS A 59 4.514 -8.207 4.580 1.00 0.00 C ATOM 920 CE LYS A 59 5.615 -8.032 5.631 1.00 0.00 C ATOM 921 NZ LYS A 59 6.945 -8.304 5.064 1.00 0.00 N ATOM 0 H LYS A 59 1.442 -6.486 3.851 1.00 0.00 H new ATOM 0 HA LYS A 59 3.087 -8.316 2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.072 -8.712 4.725 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.235 -9.915 4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.823 -7.207 5.472 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.151 -8.791 6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.677 -9.136 4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.572 -7.396 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.586 -7.016 6.025 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.430 -8.704 6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.374 -9.112 5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.852 -8.526 4.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.550 -7.466 5.180 1.00 0.00 H new ATOM 935 N GLN A 60 0.010 -8.474 1.531 1.00 0.00 N ATOM 936 CA GLN A 60 -0.799 -9.059 0.482 1.00 0.00 C ATOM 937 C GLN A 60 -0.045 -8.977 -0.844 1.00 0.00 C ATOM 938 O GLN A 60 -0.064 -9.918 -1.629 1.00 0.00 O ATOM 939 CB GLN A 60 -2.198 -8.427 0.443 1.00 0.00 C ATOM 940 CG GLN A 60 -2.284 -7.290 -0.573 1.00 0.00 C ATOM 941 CD GLN A 60 -3.648 -6.631 -0.624 1.00 0.00 C ATOM 942 OE1 GLN A 60 -4.191 -6.228 0.391 1.00 0.00 O ATOM 943 NE2 GLN A 60 -4.217 -6.501 -1.823 1.00 0.00 N ATOM 0 H GLN A 60 -0.403 -7.652 1.972 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.971 -10.116 0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.934 -9.191 0.195 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.453 -8.049 1.433 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.534 -6.538 -0.330 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.038 -7.677 -1.562 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.739 -6.848 -2.655 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.130 -6.055 -1.908 1.00 0.00 H new ATOM 952 N ILE A 61 0.600 -7.837 -1.102 1.00 0.00 N ATOM 953 CA ILE A 61 1.367 -7.647 -2.320 1.00 0.00 C ATOM 954 C ILE A 61 2.546 -8.618 -2.323 1.00 0.00 C ATOM 955 O ILE A 61 2.757 -9.320 -3.308 1.00 0.00 O ATOM 956 CB ILE A 61 1.813 -6.195 -2.542 1.00 0.00 C ATOM 957 CG1 ILE A 61 0.630 -5.280 -2.906 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.825 -6.152 -3.705 1.00 0.00 C ATOM 959 CD1 ILE A 61 0.178 -4.500 -1.680 1.00 0.00 C ATOM 0 H ILE A 61 0.602 -7.032 -0.476 1.00 0.00 H new ATOM 0 HA ILE A 61 0.715 -7.866 -3.165 1.00 0.00 H new ATOM 0 HB ILE A 61 2.256 -5.839 -1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.923 -4.591 -3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.196 -5.877 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.147 -5.124 -3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.690 -6.768 -3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.355 -6.534 -4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.659 -3.855 -1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.134 -5.196 -0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.003 -3.890 -1.313 1.00 0.00 H new ATOM 971 N GLU A 62 3.303 -8.660 -1.222 1.00 0.00 N ATOM 972 CA GLU A 62 4.451 -9.552 -1.098 1.00 0.00 C ATOM 973 C GLU A 62 3.993 -10.986 -1.384 1.00 0.00 C ATOM 974 O GLU A 62 4.611 -11.703 -2.167 1.00 0.00 O ATOM 975 CB GLU A 62 5.092 -9.388 0.286 1.00 0.00 C ATOM 976 CG GLU A 62 5.943 -8.107 0.285 1.00 0.00 C ATOM 977 CD GLU A 62 6.077 -7.450 1.645 1.00 0.00 C ATOM 978 OE1 GLU A 62 6.720 -8.070 2.522 1.00 0.00 O ATOM 979 OE2 GLU A 62 5.524 -6.341 1.802 1.00 0.00 O ATOM 0 H GLU A 62 3.136 -8.080 -0.400 1.00 0.00 H new ATOM 0 HA GLU A 62 5.222 -9.301 -1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.322 -9.330 1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.712 -10.253 0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.938 -8.345 -0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.503 -7.392 -0.410 1.00 0.00 H new ATOM 986 N ALA A 63 2.853 -11.365 -0.807 1.00 0.00 N ATOM 987 CA ALA A 63 2.211 -12.654 -1.005 1.00 0.00 C ATOM 988 C ALA A 63 1.828 -12.948 -2.464 1.00 0.00 C ATOM 989 O ALA A 63 1.696 -14.117 -2.816 1.00 0.00 O ATOM 990 CB ALA A 63 0.999 -12.743 -0.078 1.00 0.00 C ATOM 0 H ALA A 63 2.338 -10.759 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 63 2.939 -13.426 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.506 -13.705 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.325 -12.646 0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.300 -11.941 -0.315 1.00 0.00 H new ATOM 996 N MET A 64 1.659 -11.939 -3.333 1.00 0.00 N ATOM 997 CA MET A 64 1.498 -12.194 -4.762 1.00 0.00 C ATOM 998 C MET A 64 2.786 -12.774 -5.354 1.00 0.00 C ATOM 999 O MET A 64 2.735 -13.495 -6.347 1.00 0.00 O ATOM 1000 CB MET A 64 1.107 -10.924 -5.527 1.00 0.00 C ATOM 1001 CG MET A 64 -0.127 -10.171 -5.012 1.00 0.00 C ATOM 1002 SD MET A 64 -1.780 -10.908 -5.175 1.00 0.00 S ATOM 1003 CE MET A 64 -1.862 -12.062 -3.784 1.00 0.00 C ATOM 0 H MET A 64 1.631 -10.954 -3.070 1.00 0.00 H new ATOM 0 HA MET A 64 0.690 -12.918 -4.870 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.956 -10.240 -5.511 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.933 -11.192 -6.569 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.035 -9.971 -3.953 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.152 -9.206 -5.518 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.832 -11.974 -3.295 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.730 -13.081 -4.148 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.073 -11.827 -3.069 1.00 0.00 H new ATOM 1013 N GLY A 65 3.939 -12.434 -4.767 1.00 0.00 N ATOM 1014 CA GLY A 65 5.249 -12.895 -5.198 1.00 0.00 C ATOM 1015 C GLY A 65 6.251 -11.744 -5.175 1.00 0.00 C ATOM 1016 O GLY A 65 7.391 -11.920 -4.757 1.00 0.00 O ATOM 0 H GLY A 65 3.980 -11.814 -3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.592 -13.698 -4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.183 -13.309 -6.204 1.00 0.00 H new ATOM 1020 N PHE A 66 5.828 -10.569 -5.650 1.00 0.00 N ATOM 1021 CA PHE A 66 6.689 -9.406 -5.827 1.00 0.00 C ATOM 1022 C PHE A 66 7.259 -8.940 -4.482 1.00 0.00 C ATOM 1023 O PHE A 66 6.493 -8.421 -3.673 1.00 0.00 O ATOM 1024 CB PHE A 66 5.879 -8.278 -6.473 1.00 0.00 C ATOM 1025 CG PHE A 66 5.409 -8.627 -7.868 1.00 0.00 C ATOM 1026 CD1 PHE A 66 6.351 -8.685 -8.911 1.00 0.00 C ATOM 1027 CD2 PHE A 66 4.070 -8.987 -8.113 1.00 0.00 C ATOM 1028 CE1 PHE A 66 5.959 -9.097 -10.192 1.00 0.00 C ATOM 1029 CE2 PHE A 66 3.668 -9.350 -9.411 1.00 0.00 C ATOM 1030 CZ PHE A 66 4.615 -9.423 -10.447 1.00 0.00 C ATOM 0 H PHE A 66 4.860 -10.401 -5.926 1.00 0.00 H new ATOM 0 HA PHE A 66 7.525 -9.677 -6.472 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.015 -8.052 -5.848 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.488 -7.375 -6.514 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.379 -8.411 -8.724 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.353 -8.984 -7.306 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.690 -9.164 -10.984 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.631 -9.573 -9.612 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.311 -9.729 -11.437 1.00 0.00 H new ATOM 1040 N PRO A 67 8.571 -9.085 -4.224 1.00 0.00 N ATOM 1041 CA PRO A 67 9.155 -8.756 -2.935 1.00 0.00 C ATOM 1042 C PRO A 67 9.163 -7.242 -2.749 1.00 0.00 C ATOM 1043 O PRO A 67 10.051 -6.552 -3.243 1.00 0.00 O ATOM 1044 CB PRO A 67 10.563 -9.351 -2.964 1.00 0.00 C ATOM 1045 CG PRO A 67 10.931 -9.317 -4.448 1.00 0.00 C ATOM 1046 CD PRO A 67 9.593 -9.563 -5.146 1.00 0.00 C ATOM 0 HA PRO A 67 8.592 -9.160 -2.093 1.00 0.00 H new ATOM 0 HB2 PRO A 67 11.259 -8.765 -2.364 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.578 -10.367 -2.569 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.364 -8.358 -4.734 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.663 -10.085 -4.699 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.543 -9.030 -6.095 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.456 -10.621 -5.367 1.00 0.00 H new ATOM 1054 N ALA A 68 8.151 -6.727 -2.051 1.00 0.00 N ATOM 1055 CA ALA A 68 7.934 -5.309 -1.870 1.00 0.00 C ATOM 1056 C ALA A 68 8.246 -4.925 -0.422 1.00 0.00 C ATOM 1057 O ALA A 68 8.954 -5.660 0.265 1.00 0.00 O ATOM 1058 CB ALA A 68 6.492 -5.039 -2.267 1.00 0.00 C ATOM 0 H ALA A 68 7.449 -7.305 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 68 8.592 -4.699 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.275 -3.978 -2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.341 -5.326 -3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.824 -5.619 -1.630 1.00 0.00 H new ATOM 1064 N PHE A 69 7.756 -3.772 0.050 1.00 0.00 N ATOM 1065 CA PHE A 69 8.060 -3.326 1.398 1.00 0.00 C ATOM 1066 C PHE A 69 7.095 -2.249 1.879 1.00 0.00 C ATOM 1067 O PHE A 69 6.642 -1.418 1.087 1.00 0.00 O ATOM 1068 CB PHE A 69 9.514 -2.831 1.476 1.00 0.00 C ATOM 1069 CG PHE A 69 10.198 -3.161 2.784 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.834 -4.407 2.938 1.00 0.00 C ATOM 1071 CD2 PHE A 69 10.173 -2.253 3.857 1.00 0.00 C ATOM 1072 CE1 PHE A 69 11.466 -4.731 4.150 1.00 0.00 C ATOM 1073 CE2 PHE A 69 10.765 -2.596 5.084 1.00 0.00 C ATOM 1074 CZ PHE A 69 11.426 -3.828 5.227 1.00 0.00 C ATOM 0 H PHE A 69 7.154 -3.143 -0.482 1.00 0.00 H new ATOM 0 HA PHE A 69 7.938 -4.180 2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.083 -3.271 0.657 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.529 -1.751 1.330 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.836 -5.115 2.123 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.698 -1.290 3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.983 -5.674 4.255 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.712 -1.912 5.918 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.902 -4.081 6.163 1.00 0.00 H new ATOM 1084 N VAL A 70 6.813 -2.265 3.186 1.00 0.00 N ATOM 1085 CA VAL A 70 6.017 -1.275 3.891 1.00 0.00 C ATOM 1086 C VAL A 70 6.932 -0.503 4.841 1.00 0.00 C ATOM 1087 O VAL A 70 7.793 -1.088 5.491 1.00 0.00 O ATOM 1088 CB VAL A 70 4.806 -1.937 4.577 1.00 0.00 C ATOM 1089 CG1 VAL A 70 4.999 -2.118 6.078 1.00 0.00 C ATOM 1090 CG2 VAL A 70 3.550 -1.080 4.375 1.00 0.00 C ATOM 0 H VAL A 70 7.152 -3.004 3.802 1.00 0.00 H new ATOM 0 HA VAL A 70 5.587 -0.552 3.198 1.00 0.00 H new ATOM 0 HB VAL A 70 4.700 -2.919 4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.113 -2.589 6.505 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.869 -2.750 6.259 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.153 -1.145 6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.701 -1.558 4.864 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.710 -0.093 4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.345 -0.980 3.309 1.00 0.00 H new