USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 529 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 53 ASN : amide:sc= -0.507 X(o=-0.51,f=-0.8) USER MOD Set 1.2: A 55 LYS NZ :NH3+ 170:sc=-0.00374 (180deg=-0.0248) USER MOD Set 2.1: A 23 ASN : amide:sc= 1.42 K(o=-1.7,f=-3.2) USER MOD Set 2.2: A 47 HIS : no HD1:sc= -3.12 X(o=-1.7,f=-1.7) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -174:sc= 0.463 (180deg=0.441) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.496) USER MOD Single : A 33 THR OG1 : rot 140:sc= -0.789 USER MOD Single : A 35 SER OG : rot -158:sc= 1.58 USER MOD Single : A 38 SER OG : rot 98:sc= -3.15! USER MOD Single : A 39 THR OG1 : rot 56:sc= 0.458 USER MOD Single : A 44 MET CE :methyl -179:sc= -14.6! (180deg=-14.6!) USER MOD Single : A 48 THR OG1 : rot -66:sc= 0.262 USER MOD Single : A 52 TYR OH : rot -107:sc= 0.862 USER MOD Single : A 56 GLN :FLIP amide:sc= -0.369 F(o=-1.4,f=-0.37) USER MOD Single : A 57 HIS : no HE2:sc= -3.55 K(o=-3.5,f=-4.5!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 65 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.017) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -5.51! C(o=-9.2!,f=-5.5!) USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0131) USER MOD ----------------------------------------------------------------- ATOM 24 N PHE A 10 9.521 4.390 -9.278 1.00 0.00 N ATOM 25 CA PHE A 10 10.772 4.070 -8.528 1.00 0.00 C ATOM 26 C PHE A 10 10.440 3.268 -7.264 1.00 0.00 C ATOM 27 O PHE A 10 9.483 3.550 -6.570 1.00 0.00 O ATOM 28 CB PHE A 10 11.384 5.447 -8.196 1.00 0.00 C ATOM 29 CG PHE A 10 11.736 5.564 -6.722 1.00 0.00 C ATOM 30 CD1 PHE A 10 10.784 6.051 -5.815 1.00 0.00 C ATOM 31 CD2 PHE A 10 13.013 5.202 -6.265 1.00 0.00 C ATOM 32 CE1 PHE A 10 11.104 6.173 -4.457 1.00 0.00 C ATOM 33 CE2 PHE A 10 13.333 5.328 -4.908 1.00 0.00 C ATOM 34 CZ PHE A 10 12.380 5.813 -4.003 1.00 0.00 C ATOM 0 HA PHE A 10 11.468 3.453 -9.096 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.280 5.602 -8.798 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.679 6.233 -8.466 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.802 6.333 -6.164 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.749 4.826 -6.961 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.368 6.544 -3.760 1.00 0.00 H new ATOM 0 HE2 PHE A 10 14.316 5.051 -4.558 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.628 5.909 -2.956 1.00 0.00 H new ATOM 44 N VAL A 11 11.241 2.284 -6.951 1.00 0.00 N ATOM 45 CA VAL A 11 10.995 1.481 -5.720 1.00 0.00 C ATOM 46 C VAL A 11 11.970 1.948 -4.639 1.00 0.00 C ATOM 47 O VAL A 11 13.166 1.749 -4.747 1.00 0.00 O ATOM 48 CB VAL A 11 11.228 0.010 -6.116 1.00 0.00 C ATOM 49 CG1 VAL A 11 12.691 -0.226 -6.515 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.874 -0.895 -4.931 1.00 0.00 C ATOM 0 H VAL A 11 12.056 2.002 -7.496 1.00 0.00 H new ATOM 0 HA VAL A 11 9.987 1.597 -5.323 1.00 0.00 H new ATOM 0 HB VAL A 11 10.594 -0.223 -6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.829 -1.272 -6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 11 12.943 0.409 -7.364 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.341 0.017 -5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.037 -1.937 -5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.505 -0.642 -4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.827 -0.751 -4.663 1.00 0.00 H new ATOM 60 N ASP A 12 11.474 2.609 -3.620 1.00 0.00 N ATOM 61 CA ASP A 12 12.376 3.128 -2.550 1.00 0.00 C ATOM 62 C ASP A 12 13.393 2.073 -2.114 1.00 0.00 C ATOM 63 O ASP A 12 13.061 1.104 -1.460 1.00 0.00 O ATOM 64 CB ASP A 12 11.465 3.516 -1.384 1.00 0.00 C ATOM 65 CG ASP A 12 12.258 4.352 -0.374 1.00 0.00 C ATOM 66 OD1 ASP A 12 12.664 5.448 -0.724 1.00 0.00 O ATOM 67 OD2 ASP A 12 12.443 3.886 0.735 1.00 0.00 O ATOM 0 H ASP A 12 10.483 2.810 -3.486 1.00 0.00 H new ATOM 0 HA ASP A 12 12.956 3.978 -2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.609 4.083 -1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.071 2.621 -0.902 1.00 0.00 H new ATOM 72 N ASP A 13 14.637 2.280 -2.465 1.00 0.00 N ATOM 73 CA ASP A 13 15.703 1.329 -2.074 1.00 0.00 C ATOM 74 C ASP A 13 15.889 1.384 -0.557 1.00 0.00 C ATOM 75 O ASP A 13 16.348 0.443 0.060 1.00 0.00 O ATOM 76 CB ASP A 13 16.957 1.829 -2.797 1.00 0.00 C ATOM 77 CG ASP A 13 17.967 0.686 -2.925 1.00 0.00 C ATOM 78 OD1 ASP A 13 18.779 0.536 -2.025 1.00 0.00 O ATOM 79 OD2 ASP A 13 17.911 -0.021 -3.918 1.00 0.00 O ATOM 0 H ASP A 13 14.956 3.079 -3.012 1.00 0.00 H new ATOM 0 HA ASP A 13 15.476 0.296 -2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.693 2.207 -3.785 1.00 0.00 H new ATOM 0 HB3 ASP A 13 17.400 2.659 -2.246 1.00 0.00 H new ATOM 84 N HIS A 14 15.513 2.490 0.042 1.00 0.00 N ATOM 85 CA HIS A 14 15.637 2.638 1.515 1.00 0.00 C ATOM 86 C HIS A 14 14.633 1.718 2.224 1.00 0.00 C ATOM 87 O HIS A 14 14.877 1.246 3.318 1.00 0.00 O ATOM 88 CB HIS A 14 15.318 4.112 1.787 1.00 0.00 C ATOM 89 CG HIS A 14 16.408 4.718 2.627 1.00 0.00 C ATOM 90 ND1 HIS A 14 16.221 5.035 3.964 1.00 0.00 N ATOM 91 CD2 HIS A 14 17.704 5.068 2.338 1.00 0.00 C ATOM 92 CE1 HIS A 14 17.375 5.550 4.425 1.00 0.00 C ATOM 93 NE2 HIS A 14 18.313 5.592 3.474 1.00 0.00 N ATOM 0 H HIS A 14 15.122 3.301 -0.438 1.00 0.00 H new ATOM 0 HA HIS A 14 16.625 2.363 1.883 1.00 0.00 H new ATOM 0 HB2 HIS A 14 15.226 4.654 0.846 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.360 4.199 2.299 1.00 0.00 H new ATOM 0 HD2 HIS A 14 18.179 4.954 1.375 1.00 0.00 H new ATOM 0 HE1 HIS A 14 17.525 5.888 5.440 1.00 0.00 H new ATOM 0 HE2 HIS A 14 19.270 5.935 3.562 1.00 0.00 H new ATOM 101 N LEU A 15 13.518 1.443 1.592 1.00 0.00 N ATOM 102 CA LEU A 15 12.507 0.535 2.200 1.00 0.00 C ATOM 103 C LEU A 15 12.966 -0.909 1.971 1.00 0.00 C ATOM 104 O LEU A 15 12.840 -1.759 2.833 1.00 0.00 O ATOM 105 CB LEU A 15 11.189 0.881 1.475 1.00 0.00 C ATOM 106 CG LEU A 15 10.801 -0.184 0.443 1.00 0.00 C ATOM 107 CD1 LEU A 15 10.056 -1.316 1.139 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.890 0.444 -0.616 1.00 0.00 C ATOM 0 H LEU A 15 13.267 1.813 0.675 1.00 0.00 H new ATOM 0 HA LEU A 15 12.376 0.648 3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.389 0.983 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.292 1.846 0.978 1.00 0.00 H new ATOM 0 HG LEU A 15 11.700 -0.576 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.779 -2.074 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.699 -1.762 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.156 -0.923 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.612 -0.311 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.991 0.833 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.417 1.258 -1.113 1.00 0.00 H new ATOM 120 N LEU A 16 13.528 -1.170 0.816 1.00 0.00 N ATOM 121 CA LEU A 16 14.045 -2.532 0.504 1.00 0.00 C ATOM 122 C LEU A 16 15.180 -2.880 1.464 1.00 0.00 C ATOM 123 O LEU A 16 15.292 -3.995 1.935 1.00 0.00 O ATOM 124 CB LEU A 16 14.579 -2.453 -0.924 1.00 0.00 C ATOM 125 CG LEU A 16 13.479 -2.891 -1.877 1.00 0.00 C ATOM 126 CD1 LEU A 16 12.581 -1.698 -2.174 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.097 -3.419 -3.172 1.00 0.00 C ATOM 0 H LEU A 16 13.650 -0.486 0.069 1.00 0.00 H new ATOM 0 HA LEU A 16 13.273 -3.295 0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.896 -1.436 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.454 -3.093 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 16 12.889 -3.687 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.788 -2.001 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.141 -1.334 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.171 -0.904 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.305 -3.732 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 16 14.688 -2.632 -3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.740 -4.270 -2.948 1.00 0.00 H new ATOM 139 N GLU A 17 16.019 -1.916 1.762 1.00 0.00 N ATOM 140 CA GLU A 17 17.152 -2.164 2.708 1.00 0.00 C ATOM 141 C GLU A 17 16.614 -2.708 4.044 1.00 0.00 C ATOM 142 O GLU A 17 17.318 -3.374 4.780 1.00 0.00 O ATOM 143 CB GLU A 17 17.840 -0.796 2.883 1.00 0.00 C ATOM 144 CG GLU A 17 17.544 -0.212 4.270 1.00 0.00 C ATOM 145 CD GLU A 17 18.191 1.171 4.396 1.00 0.00 C ATOM 146 OE1 GLU A 17 19.390 1.225 4.622 1.00 0.00 O ATOM 147 OE2 GLU A 17 17.478 2.152 4.267 1.00 0.00 O ATOM 0 H GLU A 17 15.967 -0.968 1.390 1.00 0.00 H new ATOM 0 HA GLU A 17 17.855 -2.909 2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.916 -0.906 2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.493 -0.108 2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 17 16.467 -0.136 4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.928 -0.876 5.044 1.00 0.00 H new ATOM 154 N LYS A 18 15.366 -2.434 4.351 1.00 0.00 N ATOM 155 CA LYS A 18 14.767 -2.933 5.625 1.00 0.00 C ATOM 156 C LYS A 18 13.956 -4.213 5.373 1.00 0.00 C ATOM 157 O LYS A 18 13.870 -5.074 6.227 1.00 0.00 O ATOM 158 CB LYS A 18 13.849 -1.803 6.096 1.00 0.00 C ATOM 159 CG LYS A 18 14.690 -0.663 6.677 1.00 0.00 C ATOM 160 CD LYS A 18 14.650 -0.721 8.207 1.00 0.00 C ATOM 161 CE LYS A 18 15.312 0.533 8.786 1.00 0.00 C ATOM 162 NZ LYS A 18 14.216 1.535 8.906 1.00 0.00 N ATOM 0 H LYS A 18 14.736 -1.883 3.768 1.00 0.00 H new ATOM 0 HA LYS A 18 15.526 -3.183 6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.249 -1.437 5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.154 -2.176 6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.719 -0.742 6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.308 0.297 6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.618 -0.792 8.551 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.166 -1.613 8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.765 0.327 9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.107 0.895 8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.597 2.421 9.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.808 1.718 7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.477 1.167 9.539 1.00 0.00 H new ATOM 176 N VAL A 19 13.358 -4.343 4.208 1.00 0.00 N ATOM 177 CA VAL A 19 12.553 -5.570 3.909 1.00 0.00 C ATOM 178 C VAL A 19 13.461 -6.786 3.717 1.00 0.00 C ATOM 179 O VAL A 19 13.140 -7.876 4.147 1.00 0.00 O ATOM 180 CB VAL A 19 11.789 -5.258 2.618 1.00 0.00 C ATOM 181 CG1 VAL A 19 12.659 -5.558 1.394 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.527 -6.121 2.575 1.00 0.00 C ATOM 0 H VAL A 19 13.394 -3.654 3.456 1.00 0.00 H new ATOM 0 HA VAL A 19 11.878 -5.813 4.729 1.00 0.00 H new ATOM 0 HB VAL A 19 11.524 -4.201 2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.100 -5.331 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.560 -4.945 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.937 -6.612 1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.973 -5.909 1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.806 -7.175 2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.902 -5.895 3.439 1.00 0.00 H new ATOM 192 N LEU A 20 14.599 -6.605 3.090 1.00 0.00 N ATOM 193 CA LEU A 20 15.531 -7.754 2.895 1.00 0.00 C ATOM 194 C LEU A 20 15.987 -8.237 4.267 1.00 0.00 C ATOM 195 O LEU A 20 16.295 -9.398 4.459 1.00 0.00 O ATOM 196 CB LEU A 20 16.705 -7.224 2.055 1.00 0.00 C ATOM 197 CG LEU A 20 17.537 -6.212 2.853 1.00 0.00 C ATOM 198 CD1 LEU A 20 18.666 -6.937 3.591 1.00 0.00 C ATOM 199 CD2 LEU A 20 18.140 -5.190 1.888 1.00 0.00 C ATOM 0 H LEU A 20 14.919 -5.715 2.708 1.00 0.00 H new ATOM 0 HA LEU A 20 15.068 -8.597 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.338 -8.055 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.325 -6.754 1.148 1.00 0.00 H new ATOM 0 HG LEU A 20 16.898 -5.708 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.254 -6.214 4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.241 -7.672 4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.308 -7.441 2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.733 -4.467 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.778 -5.702 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.340 -4.672 1.360 1.00 0.00 H new ATOM 211 N GLU A 21 15.987 -7.349 5.233 1.00 0.00 N ATOM 212 CA GLU A 21 16.370 -7.743 6.607 1.00 0.00 C ATOM 213 C GLU A 21 15.222 -8.546 7.224 1.00 0.00 C ATOM 214 O GLU A 21 15.437 -9.457 8.002 1.00 0.00 O ATOM 215 CB GLU A 21 16.580 -6.435 7.365 1.00 0.00 C ATOM 216 CG GLU A 21 18.019 -5.953 7.167 1.00 0.00 C ATOM 217 CD GLU A 21 18.266 -4.711 8.025 1.00 0.00 C ATOM 218 OE1 GLU A 21 17.832 -3.642 7.628 1.00 0.00 O ATOM 219 OE2 GLU A 21 18.886 -4.849 9.067 1.00 0.00 O ATOM 0 H GLU A 21 15.736 -6.367 5.119 1.00 0.00 H new ATOM 0 HA GLU A 21 17.268 -8.360 6.637 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.880 -5.679 7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.377 -6.581 8.426 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.719 -6.742 7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.195 -5.723 6.116 1.00 0.00 H new ATOM 226 N LEU A 22 13.998 -8.225 6.856 1.00 0.00 N ATOM 227 CA LEU A 22 12.829 -8.981 7.391 1.00 0.00 C ATOM 228 C LEU A 22 12.752 -10.343 6.698 1.00 0.00 C ATOM 229 O LEU A 22 12.279 -11.309 7.261 1.00 0.00 O ATOM 230 CB LEU A 22 11.601 -8.123 7.052 1.00 0.00 C ATOM 231 CG LEU A 22 11.605 -6.808 7.857 1.00 0.00 C ATOM 232 CD1 LEU A 22 10.169 -6.456 8.252 1.00 0.00 C ATOM 233 CD2 LEU A 22 12.454 -6.951 9.127 1.00 0.00 C ATOM 0 H LEU A 22 13.766 -7.472 6.209 1.00 0.00 H new ATOM 0 HA LEU A 22 12.898 -9.163 8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.592 -7.900 5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.691 -8.683 7.268 1.00 0.00 H new ATOM 0 HG LEU A 22 12.032 -6.020 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.166 -5.527 8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.564 -6.333 7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.753 -7.257 8.863 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.443 -6.012 9.680 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.044 -7.744 9.752 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.480 -7.199 8.853 1.00 0.00 H new ATOM 245 N ASN A 23 13.248 -10.430 5.488 1.00 0.00 N ATOM 246 CA ASN A 23 13.244 -11.737 4.764 1.00 0.00 C ATOM 247 C ASN A 23 14.464 -12.567 5.198 1.00 0.00 C ATOM 248 O ASN A 23 14.551 -13.749 4.922 1.00 0.00 O ATOM 249 CB ASN A 23 13.339 -11.379 3.277 1.00 0.00 C ATOM 250 CG ASN A 23 11.969 -10.922 2.769 1.00 0.00 C ATOM 251 OD1 ASN A 23 11.055 -11.714 2.654 1.00 0.00 O ATOM 252 ND2 ASN A 23 11.788 -9.668 2.454 1.00 0.00 N ATOM 0 H ASN A 23 13.656 -9.651 4.971 1.00 0.00 H new ATOM 0 HA ASN A 23 12.353 -12.328 4.976 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.075 -10.588 3.129 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.680 -12.243 2.706 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.880 -9.354 2.112 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.555 -9.002 2.550 1.00 0.00 H new ATOM 259 N ALA A 24 15.402 -11.949 5.884 1.00 0.00 N ATOM 260 CA ALA A 24 16.611 -12.668 6.352 1.00 0.00 C ATOM 261 C ALA A 24 16.326 -13.351 7.690 1.00 0.00 C ATOM 262 O ALA A 24 16.754 -14.465 7.928 1.00 0.00 O ATOM 263 CB ALA A 24 17.671 -11.581 6.527 1.00 0.00 C ATOM 0 H ALA A 24 15.370 -10.962 6.138 1.00 0.00 H new ATOM 0 HA ALA A 24 16.930 -13.443 5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 24 18.601 -12.032 6.873 1.00 0.00 H new ATOM 0 HB2 ALA A 24 17.842 -11.083 5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.327 -10.852 7.260 1.00 0.00 H new ATOM 269 N LYS A 25 15.602 -12.692 8.566 1.00 0.00 N ATOM 270 CA LYS A 25 15.286 -13.309 9.885 1.00 0.00 C ATOM 271 C LYS A 25 13.887 -13.938 9.843 1.00 0.00 C ATOM 272 O LYS A 25 13.597 -14.874 10.566 1.00 0.00 O ATOM 273 CB LYS A 25 15.385 -12.152 10.904 1.00 0.00 C ATOM 274 CG LYS A 25 14.008 -11.790 11.482 1.00 0.00 C ATOM 275 CD LYS A 25 13.720 -12.659 12.711 1.00 0.00 C ATOM 276 CE LYS A 25 12.208 -12.872 12.849 1.00 0.00 C ATOM 277 NZ LYS A 25 12.034 -14.341 13.045 1.00 0.00 N ATOM 0 H LYS A 25 15.220 -11.757 8.421 1.00 0.00 H new ATOM 0 HA LYS A 25 15.967 -14.116 10.156 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.057 -12.436 11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.819 -11.277 10.421 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.984 -10.735 11.756 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.235 -11.941 10.728 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.225 -13.620 12.616 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.113 -12.180 13.608 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.807 -12.312 13.694 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.680 -12.528 11.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.020 -14.574 13.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.507 -14.853 12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.454 -14.622 13.954 1.00 0.00 H new ATOM 291 N GLY A 26 13.023 -13.430 8.999 1.00 0.00 N ATOM 292 CA GLY A 26 11.642 -13.989 8.900 1.00 0.00 C ATOM 293 C GLY A 26 10.649 -13.040 9.578 1.00 0.00 C ATOM 294 O GLY A 26 9.607 -13.456 10.047 1.00 0.00 O ATOM 0 H GLY A 26 13.217 -12.649 8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.370 -14.128 7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.602 -14.970 9.373 1.00 0.00 H new ATOM 298 N GLU A 27 10.963 -11.766 9.633 1.00 0.00 N ATOM 299 CA GLU A 27 10.035 -10.788 10.281 1.00 0.00 C ATOM 300 C GLU A 27 8.937 -10.368 9.298 1.00 0.00 C ATOM 301 O GLU A 27 9.210 -9.992 8.175 1.00 0.00 O ATOM 302 CB GLU A 27 10.907 -9.585 10.645 1.00 0.00 C ATOM 303 CG GLU A 27 11.302 -9.662 12.121 1.00 0.00 C ATOM 304 CD GLU A 27 12.071 -8.396 12.508 1.00 0.00 C ATOM 305 OE1 GLU A 27 13.283 -8.395 12.362 1.00 0.00 O ATOM 306 OE2 GLU A 27 11.436 -7.450 12.944 1.00 0.00 O ATOM 0 H GLU A 27 11.821 -11.363 9.257 1.00 0.00 H new ATOM 0 HA GLU A 27 9.540 -11.213 11.155 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.800 -9.569 10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.365 -8.659 10.451 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.412 -9.764 12.742 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.918 -10.544 12.299 1.00 0.00 H new ATOM 313 N LYS A 28 7.700 -10.424 9.718 1.00 0.00 N ATOM 314 CA LYS A 28 6.579 -10.020 8.819 1.00 0.00 C ATOM 315 C LYS A 28 5.901 -8.760 9.374 1.00 0.00 C ATOM 316 O LYS A 28 4.722 -8.756 9.679 1.00 0.00 O ATOM 317 CB LYS A 28 5.617 -11.212 8.828 1.00 0.00 C ATOM 318 CG LYS A 28 6.069 -12.242 7.791 1.00 0.00 C ATOM 319 CD LYS A 28 5.028 -13.358 7.689 1.00 0.00 C ATOM 320 CE LYS A 28 5.532 -14.442 6.732 1.00 0.00 C ATOM 321 NZ LYS A 28 4.591 -15.587 6.908 1.00 0.00 N ATOM 0 H LYS A 28 7.417 -10.733 10.648 1.00 0.00 H new ATOM 0 HA LYS A 28 6.911 -9.783 7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.592 -11.665 9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.604 -10.877 8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.200 -11.763 6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.036 -12.658 8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.841 -13.786 8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.081 -12.954 7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.533 -14.088 5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.555 -14.733 6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.874 -16.368 6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.616 -15.908 7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.626 -15.283 6.667 1.00 0.00 H new ATOM 335 N ARG A 29 6.648 -7.691 9.512 1.00 0.00 N ATOM 336 CA ARG A 29 6.063 -6.427 10.053 1.00 0.00 C ATOM 337 C ARG A 29 5.773 -5.448 8.899 1.00 0.00 C ATOM 338 O ARG A 29 5.252 -5.843 7.872 1.00 0.00 O ATOM 339 CB ARG A 29 7.134 -5.894 11.020 1.00 0.00 C ATOM 340 CG ARG A 29 6.479 -5.446 12.334 1.00 0.00 C ATOM 341 CD ARG A 29 5.910 -4.031 12.188 1.00 0.00 C ATOM 342 NE ARG A 29 5.236 -3.750 13.487 1.00 0.00 N ATOM 343 CZ ARG A 29 3.932 -3.797 13.570 1.00 0.00 C ATOM 344 NH1 ARG A 29 3.229 -2.703 13.424 1.00 0.00 N ATOM 345 NH2 ARG A 29 3.333 -4.936 13.801 1.00 0.00 N ATOM 0 H ARG A 29 7.638 -7.641 9.273 1.00 0.00 H new ATOM 0 HA ARG A 29 5.111 -6.571 10.564 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.874 -6.669 11.219 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.663 -5.057 10.564 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.683 -6.139 12.607 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.212 -5.469 13.140 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.700 -3.307 11.988 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.206 -3.972 11.358 1.00 0.00 H new ATOM 0 HE ARG A 29 5.792 -3.521 14.311 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.698 -1.815 13.246 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.212 -2.738 13.488 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.883 -5.787 13.916 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.316 -4.973 13.866 1.00 0.00 H new ATOM 359 N LEU A 30 6.089 -4.181 9.053 1.00 0.00 N ATOM 360 CA LEU A 30 5.811 -3.200 7.966 1.00 0.00 C ATOM 361 C LEU A 30 7.046 -2.316 7.700 1.00 0.00 C ATOM 362 O LEU A 30 7.868 -2.098 8.572 1.00 0.00 O ATOM 363 CB LEU A 30 4.613 -2.383 8.498 1.00 0.00 C ATOM 364 CG LEU A 30 5.074 -1.071 9.148 1.00 0.00 C ATOM 365 CD1 LEU A 30 4.633 0.112 8.281 1.00 0.00 C ATOM 366 CD2 LEU A 30 4.443 -0.947 10.538 1.00 0.00 C ATOM 0 H LEU A 30 6.527 -3.790 9.887 1.00 0.00 H new ATOM 0 HA LEU A 30 5.586 -3.671 7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.928 -2.164 7.679 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.060 -2.977 9.226 1.00 0.00 H new ATOM 0 HG LEU A 30 6.160 -1.070 9.237 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.960 1.044 8.743 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.078 0.022 7.290 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.547 0.113 8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.768 -0.016 11.003 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.357 -0.947 10.446 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.755 -1.789 11.155 1.00 0.00 H new ATOM 378 N ILE A 31 7.167 -1.801 6.500 1.00 0.00 N ATOM 379 CA ILE A 31 8.326 -0.915 6.155 1.00 0.00 C ATOM 380 C ILE A 31 7.786 0.390 5.559 1.00 0.00 C ATOM 381 O ILE A 31 7.095 0.383 4.560 1.00 0.00 O ATOM 382 CB ILE A 31 9.160 -1.699 5.129 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.805 -2.904 5.823 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.263 -0.798 4.549 1.00 0.00 C ATOM 385 CD1 ILE A 31 9.555 -4.166 4.998 1.00 0.00 C ATOM 0 H ILE A 31 6.507 -1.957 5.738 1.00 0.00 H new ATOM 0 HA ILE A 31 8.936 -0.654 7.020 1.00 0.00 H new ATOM 0 HB ILE A 31 8.512 -2.036 4.320 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.876 -2.739 5.938 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.391 -3.024 6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.849 -1.362 3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.809 0.063 4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.914 -0.456 5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.014 -5.021 5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.482 -4.334 4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.990 -4.044 4.006 1.00 0.00 H new ATOM 397 N LYS A 32 8.081 1.501 6.177 1.00 0.00 N ATOM 398 CA LYS A 32 7.561 2.811 5.665 1.00 0.00 C ATOM 399 C LYS A 32 8.629 3.564 4.865 1.00 0.00 C ATOM 400 O LYS A 32 9.812 3.303 4.978 1.00 0.00 O ATOM 401 CB LYS A 32 7.132 3.617 6.905 1.00 0.00 C ATOM 402 CG LYS A 32 8.207 3.558 7.998 1.00 0.00 C ATOM 403 CD LYS A 32 7.840 2.479 9.024 1.00 0.00 C ATOM 404 CE LYS A 32 7.162 3.128 10.234 1.00 0.00 C ATOM 405 NZ LYS A 32 6.631 1.992 11.039 1.00 0.00 N ATOM 0 H LYS A 32 8.659 1.563 7.015 1.00 0.00 H new ATOM 0 HA LYS A 32 6.725 2.657 4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.951 4.654 6.624 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.192 3.223 7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.178 3.337 7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.293 4.527 8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.173 1.745 8.572 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.736 1.944 9.340 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.871 3.722 10.811 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.361 3.799 9.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.678 2.227 11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.584 1.139 10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.259 1.817 11.849 1.00 0.00 H new ATOM 419 N THR A 33 8.201 4.495 4.044 1.00 0.00 N ATOM 420 CA THR A 33 9.158 5.280 3.205 1.00 0.00 C ATOM 421 C THR A 33 8.710 6.749 3.126 1.00 0.00 C ATOM 422 O THR A 33 7.612 7.087 3.525 1.00 0.00 O ATOM 423 CB THR A 33 9.082 4.609 1.828 1.00 0.00 C ATOM 424 OG1 THR A 33 9.693 3.327 1.892 1.00 0.00 O ATOM 425 CG2 THR A 33 9.801 5.463 0.786 1.00 0.00 C ATOM 0 H THR A 33 7.220 4.745 3.920 1.00 0.00 H new ATOM 0 HA THR A 33 10.172 5.287 3.606 1.00 0.00 H new ATOM 0 HB THR A 33 8.036 4.504 1.541 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.166 2.687 1.369 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.740 4.977 -0.188 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.329 6.444 0.731 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.847 5.579 1.069 1.00 0.00 H new ATOM 433 N TRP A 34 9.555 7.624 2.620 1.00 0.00 N ATOM 434 CA TRP A 34 9.179 9.073 2.516 1.00 0.00 C ATOM 435 C TRP A 34 9.776 9.696 1.242 1.00 0.00 C ATOM 436 O TRP A 34 10.232 10.825 1.251 1.00 0.00 O ATOM 437 CB TRP A 34 9.779 9.741 3.757 1.00 0.00 C ATOM 438 CG TRP A 34 9.288 9.059 4.991 1.00 0.00 C ATOM 439 CD1 TRP A 34 8.166 9.387 5.664 1.00 0.00 C ATOM 440 CD2 TRP A 34 9.879 7.937 5.700 1.00 0.00 C ATOM 441 NE1 TRP A 34 8.035 8.543 6.753 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.070 7.631 6.817 1.00 0.00 C ATOM 443 CE3 TRP A 34 11.032 7.166 5.481 1.00 0.00 C ATOM 444 CZ2 TRP A 34 9.397 6.595 7.692 1.00 0.00 C ATOM 445 CZ3 TRP A 34 11.364 6.121 6.357 1.00 0.00 C ATOM 446 CH2 TRP A 34 10.548 5.837 7.462 1.00 0.00 C ATOM 0 H TRP A 34 10.487 7.395 2.275 1.00 0.00 H new ATOM 0 HA TRP A 34 8.098 9.204 2.462 1.00 0.00 H new ATOM 0 HB2 TRP A 34 10.867 9.695 3.715 1.00 0.00 H new ATOM 0 HB3 TRP A 34 9.505 10.796 3.781 1.00 0.00 H new ATOM 0 HD1 TRP A 34 7.482 10.179 5.397 1.00 0.00 H new ATOM 0 HE1 TRP A 34 7.269 8.589 7.425 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.667 7.378 4.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 8.765 6.380 8.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.252 5.533 6.179 1.00 0.00 H new ATOM 0 HH2 TRP A 34 10.809 5.033 8.134 1.00 0.00 H new ATOM 457 N SER A 35 9.779 8.972 0.150 1.00 0.00 N ATOM 458 CA SER A 35 10.350 9.525 -1.117 1.00 0.00 C ATOM 459 C SER A 35 9.247 10.190 -1.962 1.00 0.00 C ATOM 460 O SER A 35 8.936 11.350 -1.765 1.00 0.00 O ATOM 461 CB SER A 35 10.972 8.323 -1.835 1.00 0.00 C ATOM 462 OG SER A 35 11.684 8.774 -2.980 1.00 0.00 O ATOM 0 H SER A 35 9.411 8.023 0.081 1.00 0.00 H new ATOM 0 HA SER A 35 11.093 10.301 -0.934 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.644 7.791 -1.162 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.194 7.619 -2.131 1.00 0.00 H new ATOM 0 HG SER A 35 11.786 8.034 -3.614 1.00 0.00 H new ATOM 468 N ARG A 36 8.653 9.478 -2.898 1.00 0.00 N ATOM 469 CA ARG A 36 7.577 10.092 -3.741 1.00 0.00 C ATOM 470 C ARG A 36 6.819 9.014 -4.530 1.00 0.00 C ATOM 471 O ARG A 36 5.622 8.858 -4.383 1.00 0.00 O ATOM 472 CB ARG A 36 8.310 11.039 -4.698 1.00 0.00 C ATOM 473 CG ARG A 36 7.309 12.020 -5.315 1.00 0.00 C ATOM 474 CD ARG A 36 8.061 13.076 -6.129 1.00 0.00 C ATOM 475 NE ARG A 36 8.250 14.222 -5.194 1.00 0.00 N ATOM 476 CZ ARG A 36 9.381 14.367 -4.555 1.00 0.00 C ATOM 477 NH1 ARG A 36 9.487 13.961 -3.316 1.00 0.00 N ATOM 478 NH2 ARG A 36 10.404 14.920 -5.153 1.00 0.00 N ATOM 0 H ARG A 36 8.868 8.504 -3.111 1.00 0.00 H new ATOM 0 HA ARG A 36 6.836 10.613 -3.134 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.087 11.585 -4.162 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.806 10.468 -5.483 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.607 11.485 -5.955 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.724 12.500 -4.531 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.018 12.693 -6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.492 13.375 -7.009 1.00 0.00 H new ATOM 0 HE ARG A 36 7.496 14.894 -5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.688 13.532 -2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.369 14.073 -2.816 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.320 15.238 -6.118 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.286 15.033 -4.654 1.00 0.00 H new ATOM 492 N ARG A 37 7.506 8.275 -5.371 1.00 0.00 N ATOM 493 CA ARG A 37 6.824 7.210 -6.177 1.00 0.00 C ATOM 494 C ARG A 37 7.115 5.822 -5.592 1.00 0.00 C ATOM 495 O ARG A 37 7.257 4.855 -6.315 1.00 0.00 O ATOM 496 CB ARG A 37 7.413 7.339 -7.585 1.00 0.00 C ATOM 497 CG ARG A 37 7.007 8.686 -8.188 1.00 0.00 C ATOM 498 CD ARG A 37 8.250 9.564 -8.362 1.00 0.00 C ATOM 499 NE ARG A 37 7.724 10.908 -8.735 1.00 0.00 N ATOM 500 CZ ARG A 37 8.204 11.531 -9.779 1.00 0.00 C ATOM 501 NH1 ARG A 37 9.113 12.458 -9.626 1.00 0.00 N ATOM 502 NH2 ARG A 37 7.772 11.226 -10.975 1.00 0.00 N ATOM 0 H ARG A 37 8.509 8.363 -5.534 1.00 0.00 H new ATOM 0 HA ARG A 37 5.740 7.326 -6.177 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.499 7.259 -7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.057 6.524 -8.216 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.519 8.533 -9.151 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.285 9.184 -7.540 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.833 9.610 -7.442 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.907 9.169 -9.136 1.00 0.00 H new ATOM 0 HE ARG A 37 6.990 11.341 -8.176 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.448 12.695 -8.692 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.488 12.944 -10.441 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.062 10.503 -11.092 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.145 11.711 -11.791 1.00 0.00 H new ATOM 516 N SER A 38 7.206 5.731 -4.286 1.00 0.00 N ATOM 517 CA SER A 38 7.489 4.427 -3.603 1.00 0.00 C ATOM 518 C SER A 38 6.717 3.264 -4.246 1.00 0.00 C ATOM 519 O SER A 38 5.501 3.277 -4.316 1.00 0.00 O ATOM 520 CB SER A 38 7.020 4.645 -2.164 1.00 0.00 C ATOM 521 OG SER A 38 8.137 4.979 -1.356 1.00 0.00 O ATOM 0 H SER A 38 7.094 6.522 -3.652 1.00 0.00 H new ATOM 0 HA SER A 38 8.543 4.157 -3.674 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.278 5.442 -2.127 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.538 3.744 -1.785 1.00 0.00 H new ATOM 0 HG SER A 38 8.183 5.952 -1.247 1.00 0.00 H new ATOM 527 N THR A 39 7.423 2.260 -4.709 1.00 0.00 N ATOM 528 CA THR A 39 6.749 1.084 -5.346 1.00 0.00 C ATOM 529 C THR A 39 7.096 -0.205 -4.586 1.00 0.00 C ATOM 530 O THR A 39 8.079 -0.272 -3.871 1.00 0.00 O ATOM 531 CB THR A 39 7.295 1.023 -6.779 1.00 0.00 C ATOM 532 OG1 THR A 39 6.934 2.210 -7.478 1.00 0.00 O ATOM 533 CG2 THR A 39 6.708 -0.195 -7.500 1.00 0.00 C ATOM 0 H THR A 39 8.441 2.204 -4.673 1.00 0.00 H new ATOM 0 HA THR A 39 5.664 1.183 -5.332 1.00 0.00 H new ATOM 0 HB THR A 39 8.381 0.937 -6.749 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.263 2.992 -6.987 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.096 -0.237 -8.518 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.988 -1.103 -6.967 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.622 -0.112 -7.529 1.00 0.00 H new ATOM 541 N ILE A 40 6.286 -1.227 -4.731 1.00 0.00 N ATOM 542 CA ILE A 40 6.557 -2.517 -4.013 1.00 0.00 C ATOM 543 C ILE A 40 7.520 -3.411 -4.815 1.00 0.00 C ATOM 544 O ILE A 40 7.810 -3.163 -5.971 1.00 0.00 O ATOM 545 CB ILE A 40 5.184 -3.192 -3.885 1.00 0.00 C ATOM 546 CG1 ILE A 40 4.270 -2.334 -3.008 1.00 0.00 C ATOM 547 CG2 ILE A 40 5.326 -4.577 -3.250 1.00 0.00 C ATOM 548 CD1 ILE A 40 3.508 -1.343 -3.883 1.00 0.00 C ATOM 0 H ILE A 40 5.449 -1.225 -5.315 1.00 0.00 H new ATOM 0 HA ILE A 40 7.031 -2.347 -3.046 1.00 0.00 H new ATOM 0 HB ILE A 40 4.755 -3.297 -4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.570 -2.968 -2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.860 -1.799 -2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.343 -5.042 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.970 -5.198 -3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.766 -4.479 -2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.857 -0.732 -3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.216 -0.701 -4.407 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.906 -1.888 -4.610 1.00 0.00 H new ATOM 560 N VAL A 41 7.996 -4.461 -4.191 1.00 0.00 N ATOM 561 CA VAL A 41 8.929 -5.425 -4.866 1.00 0.00 C ATOM 562 C VAL A 41 8.534 -6.855 -4.489 1.00 0.00 C ATOM 563 O VAL A 41 7.590 -7.062 -3.751 1.00 0.00 O ATOM 564 CB VAL A 41 10.356 -5.111 -4.363 1.00 0.00 C ATOM 565 CG1 VAL A 41 11.231 -4.695 -5.550 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.355 -3.970 -3.338 1.00 0.00 C ATOM 0 H VAL A 41 7.774 -4.697 -3.224 1.00 0.00 H new ATOM 0 HA VAL A 41 8.882 -5.330 -5.951 1.00 0.00 H new ATOM 0 HB VAL A 41 10.747 -6.009 -3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.239 -4.473 -5.199 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.271 -5.508 -6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.807 -3.808 -6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.375 -3.777 -3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.946 -3.070 -3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.743 -4.251 -2.481 1.00 0.00 H new ATOM 576 N PRO A 42 9.264 -7.800 -5.021 1.00 0.00 N ATOM 577 CA PRO A 42 8.971 -9.228 -4.745 1.00 0.00 C ATOM 578 C PRO A 42 9.275 -9.587 -3.286 1.00 0.00 C ATOM 579 O PRO A 42 8.620 -10.428 -2.702 1.00 0.00 O ATOM 580 CB PRO A 42 9.899 -9.961 -5.702 1.00 0.00 C ATOM 581 CG PRO A 42 11.015 -9.012 -5.972 1.00 0.00 C ATOM 582 CD PRO A 42 10.420 -7.639 -5.915 1.00 0.00 C ATOM 0 HA PRO A 42 7.921 -9.485 -4.888 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.268 -10.887 -5.260 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.381 -10.231 -6.622 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.808 -9.123 -5.233 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.460 -9.203 -6.948 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.130 -6.910 -5.525 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.118 -7.292 -6.903 1.00 0.00 H new ATOM 590 N GLU A 43 10.253 -8.950 -2.697 1.00 0.00 N ATOM 591 CA GLU A 43 10.600 -9.234 -1.270 1.00 0.00 C ATOM 592 C GLU A 43 9.502 -8.719 -0.318 1.00 0.00 C ATOM 593 O GLU A 43 9.583 -8.907 0.880 1.00 0.00 O ATOM 594 CB GLU A 43 11.909 -8.477 -1.017 1.00 0.00 C ATOM 595 CG GLU A 43 13.099 -9.342 -1.438 1.00 0.00 C ATOM 596 CD GLU A 43 13.492 -10.274 -0.288 1.00 0.00 C ATOM 597 OE1 GLU A 43 12.956 -11.369 -0.228 1.00 0.00 O ATOM 598 OE2 GLU A 43 14.322 -9.875 0.514 1.00 0.00 O ATOM 0 H GLU A 43 10.831 -8.240 -3.146 1.00 0.00 H new ATOM 0 HA GLU A 43 10.695 -10.305 -1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.912 -7.541 -1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.992 -8.218 0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.841 -9.927 -2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 43 13.943 -8.709 -1.710 1.00 0.00 H new ATOM 605 N MET A 44 8.489 -8.063 -0.837 1.00 0.00 N ATOM 606 CA MET A 44 7.401 -7.526 0.041 1.00 0.00 C ATOM 607 C MET A 44 6.229 -8.502 0.160 1.00 0.00 C ATOM 608 O MET A 44 5.255 -8.231 0.833 1.00 0.00 O ATOM 609 CB MET A 44 6.961 -6.250 -0.653 1.00 0.00 C ATOM 610 CG MET A 44 7.900 -5.140 -0.224 1.00 0.00 C ATOM 611 SD MET A 44 9.554 -5.444 -0.894 1.00 0.00 S ATOM 612 CE MET A 44 10.333 -3.940 -0.268 1.00 0.00 C ATOM 0 H MET A 44 8.370 -7.877 -1.833 1.00 0.00 H new ATOM 0 HA MET A 44 7.749 -7.361 1.061 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.988 -6.376 -1.735 1.00 0.00 H new ATOM 0 HB3 MET A 44 5.933 -6.005 -0.386 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.526 -4.178 -0.576 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.942 -5.087 0.864 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.375 -3.911 -0.586 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.809 -3.068 -0.661 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.285 -3.932 0.821 1.00 0.00 H new ATOM 622 N VAL A 45 6.327 -9.628 -0.490 1.00 0.00 N ATOM 623 CA VAL A 45 5.239 -10.670 -0.454 1.00 0.00 C ATOM 624 C VAL A 45 4.808 -11.063 0.988 1.00 0.00 C ATOM 625 O VAL A 45 3.874 -11.826 1.162 1.00 0.00 O ATOM 626 CB VAL A 45 5.844 -11.876 -1.197 1.00 0.00 C ATOM 627 CG1 VAL A 45 7.212 -12.234 -0.599 1.00 0.00 C ATOM 628 CG2 VAL A 45 4.913 -13.088 -1.084 1.00 0.00 C ATOM 0 H VAL A 45 7.132 -9.884 -1.061 1.00 0.00 H new ATOM 0 HA VAL A 45 4.325 -10.294 -0.913 1.00 0.00 H new ATOM 0 HB VAL A 45 5.965 -11.608 -2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.630 -13.088 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.885 -11.382 -0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.094 -12.487 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.351 -13.934 -1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.779 -13.347 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.946 -12.846 -1.525 1.00 0.00 H new ATOM 638 N GLY A 46 5.444 -10.548 2.013 1.00 0.00 N ATOM 639 CA GLY A 46 5.031 -10.896 3.405 1.00 0.00 C ATOM 640 C GLY A 46 5.240 -9.686 4.323 1.00 0.00 C ATOM 641 O GLY A 46 5.561 -9.836 5.487 1.00 0.00 O ATOM 0 H GLY A 46 6.231 -9.902 1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.984 -11.199 3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.613 -11.744 3.766 1.00 0.00 H new ATOM 645 N HIS A 47 5.067 -8.485 3.810 1.00 0.00 N ATOM 646 CA HIS A 47 5.267 -7.268 4.659 1.00 0.00 C ATOM 647 C HIS A 47 4.247 -6.183 4.307 1.00 0.00 C ATOM 648 O HIS A 47 3.787 -6.087 3.186 1.00 0.00 O ATOM 649 CB HIS A 47 6.684 -6.759 4.349 1.00 0.00 C ATOM 650 CG HIS A 47 7.676 -7.891 4.388 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.377 -8.229 5.534 1.00 0.00 N ATOM 652 CD2 HIS A 47 8.090 -8.771 3.422 1.00 0.00 C ATOM 653 CE1 HIS A 47 9.170 -9.273 5.228 1.00 0.00 C ATOM 654 NE2 HIS A 47 9.034 -9.643 3.952 1.00 0.00 N ATOM 0 H HIS A 47 4.797 -8.299 2.844 1.00 0.00 H new ATOM 0 HA HIS A 47 5.138 -7.508 5.714 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.700 -6.289 3.366 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.968 -5.995 5.073 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.736 -8.785 2.402 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.836 -9.753 5.930 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.518 -10.401 3.471 1.00 0.00 H new ATOM 662 N THR A 48 3.927 -5.345 5.260 1.00 0.00 N ATOM 663 CA THR A 48 2.970 -4.226 5.017 1.00 0.00 C ATOM 664 C THR A 48 3.806 -2.965 4.793 1.00 0.00 C ATOM 665 O THR A 48 4.077 -2.207 5.700 1.00 0.00 O ATOM 666 CB THR A 48 2.122 -4.113 6.302 1.00 0.00 C ATOM 667 OG1 THR A 48 2.277 -5.281 7.102 1.00 0.00 O ATOM 668 CG2 THR A 48 0.648 -3.954 5.933 1.00 0.00 C ATOM 0 H THR A 48 4.295 -5.391 6.210 1.00 0.00 H new ATOM 0 HA THR A 48 2.321 -4.376 4.154 1.00 0.00 H new ATOM 0 HB THR A 48 2.460 -3.244 6.866 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.896 -6.052 6.632 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.052 -3.875 6.842 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.518 -3.053 5.334 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.321 -4.821 5.359 1.00 0.00 H new ATOM 676 N ILE A 49 4.264 -2.771 3.592 1.00 0.00 N ATOM 677 CA ILE A 49 5.141 -1.599 3.307 1.00 0.00 C ATOM 678 C ILE A 49 4.331 -0.313 3.164 1.00 0.00 C ATOM 679 O ILE A 49 3.592 -0.142 2.215 1.00 0.00 O ATOM 680 CB ILE A 49 5.849 -1.960 1.998 1.00 0.00 C ATOM 681 CG1 ILE A 49 6.568 -3.315 2.190 1.00 0.00 C ATOM 682 CG2 ILE A 49 6.842 -0.852 1.624 1.00 0.00 C ATOM 683 CD1 ILE A 49 8.087 -3.152 2.151 1.00 0.00 C ATOM 0 H ILE A 49 4.070 -3.373 2.791 1.00 0.00 H new ATOM 0 HA ILE A 49 5.844 -1.407 4.118 1.00 0.00 H new ATOM 0 HB ILE A 49 5.129 -2.050 1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.272 -3.753 3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.255 -4.008 1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.344 -1.112 0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.306 0.089 1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.582 -0.744 2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.561 -4.124 2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.384 -2.737 1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.401 -2.479 2.948 1.00 0.00 H new ATOM 695 N ALA A 50 4.486 0.601 4.094 1.00 0.00 N ATOM 696 CA ALA A 50 3.745 1.889 3.999 1.00 0.00 C ATOM 697 C ALA A 50 4.421 2.768 2.953 1.00 0.00 C ATOM 698 O ALA A 50 5.201 3.654 3.258 1.00 0.00 O ATOM 699 CB ALA A 50 3.797 2.518 5.388 1.00 0.00 C ATOM 0 H ALA A 50 5.092 0.507 4.909 1.00 0.00 H new ATOM 0 HA ALA A 50 2.707 1.757 3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.266 3.470 5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.326 1.849 6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.836 2.685 5.673 1.00 0.00 H new ATOM 705 N VAL A 51 4.130 2.494 1.712 1.00 0.00 N ATOM 706 CA VAL A 51 4.744 3.265 0.588 1.00 0.00 C ATOM 707 C VAL A 51 4.348 4.741 0.661 1.00 0.00 C ATOM 708 O VAL A 51 3.187 5.075 0.812 1.00 0.00 O ATOM 709 CB VAL A 51 4.186 2.632 -0.696 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.564 1.148 -0.754 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.657 2.775 -0.722 1.00 0.00 C ATOM 0 H VAL A 51 3.485 1.759 1.422 1.00 0.00 H new ATOM 0 HA VAL A 51 5.833 3.226 0.626 1.00 0.00 H new ATOM 0 HB VAL A 51 4.612 3.144 -1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.165 0.706 -1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.649 1.048 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.147 0.632 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.265 2.325 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.230 2.270 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.390 3.831 -0.695 1.00 0.00 H new ATOM 721 N TYR A 52 5.301 5.628 0.536 1.00 0.00 N ATOM 722 CA TYR A 52 4.967 7.078 0.576 1.00 0.00 C ATOM 723 C TYR A 52 4.361 7.484 -0.770 1.00 0.00 C ATOM 724 O TYR A 52 5.061 7.647 -1.753 1.00 0.00 O ATOM 725 CB TYR A 52 6.294 7.808 0.826 1.00 0.00 C ATOM 726 CG TYR A 52 6.033 9.275 1.092 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.143 9.658 2.102 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.691 10.250 0.335 1.00 0.00 C ATOM 729 CE1 TYR A 52 4.910 11.014 2.355 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.460 11.607 0.588 1.00 0.00 C ATOM 731 CZ TYR A 52 5.570 11.989 1.599 1.00 0.00 C ATOM 732 OH TYR A 52 5.343 13.327 1.851 1.00 0.00 O ATOM 0 H TYR A 52 6.289 5.411 0.409 1.00 0.00 H new ATOM 0 HA TYR A 52 4.242 7.322 1.353 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.810 7.362 1.676 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.949 7.697 -0.038 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.635 8.905 2.687 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.378 9.956 -0.445 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.221 11.308 3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.968 12.359 0.003 1.00 0.00 H new ATOM 0 HH TYR A 52 4.795 13.707 1.133 1.00 0.00 H new ATOM 742 N ASN A 53 3.060 7.649 -0.819 1.00 0.00 N ATOM 743 CA ASN A 53 2.393 8.051 -2.100 1.00 0.00 C ATOM 744 C ASN A 53 2.750 9.507 -2.463 1.00 0.00 C ATOM 745 O ASN A 53 2.304 10.033 -3.466 1.00 0.00 O ATOM 746 CB ASN A 53 0.891 7.910 -1.804 1.00 0.00 C ATOM 747 CG ASN A 53 0.064 8.480 -2.960 1.00 0.00 C ATOM 748 OD1 ASN A 53 -0.099 7.840 -3.980 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.469 9.667 -2.842 1.00 0.00 N ATOM 0 H ASN A 53 2.430 7.523 -0.027 1.00 0.00 H new ATOM 0 HA ASN A 53 2.707 7.441 -2.947 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.641 6.860 -1.652 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.645 8.433 -0.880 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.022 10.056 -3.606 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.332 10.205 -1.986 1.00 0.00 H new ATOM 756 N GLY A 54 3.532 10.163 -1.641 1.00 0.00 N ATOM 757 CA GLY A 54 3.898 11.583 -1.903 1.00 0.00 C ATOM 758 C GLY A 54 3.394 12.420 -0.725 1.00 0.00 C ATOM 759 O GLY A 54 3.852 13.522 -0.488 1.00 0.00 O ATOM 0 H GLY A 54 3.935 9.768 -0.791 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.978 11.686 -2.011 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.451 11.927 -2.835 1.00 0.00 H new ATOM 763 N LYS A 55 2.447 11.886 0.013 1.00 0.00 N ATOM 764 CA LYS A 55 1.885 12.609 1.191 1.00 0.00 C ATOM 765 C LYS A 55 1.640 11.639 2.360 1.00 0.00 C ATOM 766 O LYS A 55 1.677 12.030 3.512 1.00 0.00 O ATOM 767 CB LYS A 55 0.552 13.208 0.718 1.00 0.00 C ATOM 768 CG LYS A 55 -0.169 12.240 -0.231 1.00 0.00 C ATOM 769 CD LYS A 55 -1.581 12.760 -0.519 1.00 0.00 C ATOM 770 CE LYS A 55 -1.541 13.734 -1.703 1.00 0.00 C ATOM 771 NZ LYS A 55 -1.581 12.876 -2.923 1.00 0.00 N ATOM 0 H LYS A 55 2.037 10.967 -0.157 1.00 0.00 H new ATOM 0 HA LYS A 55 2.573 13.376 1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.082 13.422 1.578 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.733 14.156 0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.390 12.142 -1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.220 11.247 0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.247 11.927 -0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.982 13.260 0.363 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.388 14.419 -1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.637 14.343 -1.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.727 13.473 -3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.682 12.362 -3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.362 12.194 -2.843 1.00 0.00 H new ATOM 785 N GLN A 56 1.354 10.388 2.072 1.00 0.00 N ATOM 786 CA GLN A 56 1.068 9.407 3.162 1.00 0.00 C ATOM 787 C GLN A 56 1.796 8.075 2.943 1.00 0.00 C ATOM 788 O GLN A 56 2.115 7.697 1.832 1.00 0.00 O ATOM 789 CB GLN A 56 -0.459 9.245 3.090 1.00 0.00 C ATOM 790 CG GLN A 56 -0.864 7.836 2.638 1.00 0.00 C ATOM 791 CD GLN A 56 -1.607 7.122 3.772 1.00 0.00 C ATOM 792 OE1 GLN A 56 -0.955 6.770 4.848 1.00 0.00 O flip ATOM 793 NE2 GLN A 56 -2.794 6.882 3.679 1.00 0.00 N flip ATOM 0 H GLN A 56 1.307 10.008 1.127 1.00 0.00 H new ATOM 0 HA GLN A 56 1.416 9.744 4.139 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.892 9.451 4.069 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.870 9.980 2.398 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.500 7.896 1.755 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.021 7.266 2.355 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.305 7.156 2.840 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.279 6.407 4.440 1.00 0.00 H new ATOM 802 N HIS A 57 2.020 7.353 4.012 1.00 0.00 N ATOM 803 CA HIS A 57 2.681 6.022 3.920 1.00 0.00 C ATOM 804 C HIS A 57 1.592 4.945 4.004 1.00 0.00 C ATOM 805 O HIS A 57 1.103 4.645 5.073 1.00 0.00 O ATOM 806 CB HIS A 57 3.612 5.924 5.142 1.00 0.00 C ATOM 807 CG HIS A 57 4.176 7.277 5.498 1.00 0.00 C ATOM 808 ND1 HIS A 57 3.791 7.957 6.643 1.00 0.00 N ATOM 809 CD2 HIS A 57 5.075 8.093 4.862 1.00 0.00 C ATOM 810 CE1 HIS A 57 4.451 9.129 6.660 1.00 0.00 C ATOM 811 NE2 HIS A 57 5.248 9.262 5.596 1.00 0.00 N ATOM 0 H HIS A 57 1.767 7.637 4.958 1.00 0.00 H new ATOM 0 HA HIS A 57 3.240 5.892 2.993 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.062 5.520 5.992 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.426 5.231 4.930 1.00 0.00 H new ATOM 0 HD1 HIS A 57 3.128 7.628 7.345 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.574 7.863 3.932 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.349 9.871 7.438 1.00 0.00 H new ATOM 819 N VAL A 58 1.193 4.383 2.891 1.00 0.00 N ATOM 820 CA VAL A 58 0.115 3.340 2.921 1.00 0.00 C ATOM 821 C VAL A 58 0.733 1.954 3.159 1.00 0.00 C ATOM 822 O VAL A 58 1.313 1.384 2.255 1.00 0.00 O ATOM 823 CB VAL A 58 -0.551 3.407 1.537 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.706 2.405 1.471 1.00 0.00 C ATOM 825 CG2 VAL A 58 -1.096 4.819 1.294 1.00 0.00 C ATOM 0 H VAL A 58 1.563 4.598 1.965 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.604 3.511 3.722 1.00 0.00 H new ATOM 0 HB VAL A 58 0.188 3.164 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.176 2.455 0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.324 1.398 1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.442 2.647 2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.567 4.863 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.831 5.062 2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.277 5.537 1.336 1.00 0.00 H new ATOM 835 N PRO A 59 0.595 1.457 4.376 1.00 0.00 N ATOM 836 CA PRO A 59 1.163 0.129 4.734 1.00 0.00 C ATOM 837 C PRO A 59 0.411 -0.962 3.988 1.00 0.00 C ATOM 838 O PRO A 59 -0.588 -1.486 4.447 1.00 0.00 O ATOM 839 CB PRO A 59 0.949 0.032 6.244 1.00 0.00 C ATOM 840 CG PRO A 59 -0.197 0.948 6.520 1.00 0.00 C ATOM 841 CD PRO A 59 -0.104 2.065 5.514 1.00 0.00 C ATOM 0 HA PRO A 59 2.214 0.014 4.468 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.722 -0.990 6.548 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.841 0.337 6.791 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.146 0.420 6.427 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.147 1.337 7.537 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.091 2.429 5.229 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.447 2.917 5.913 1.00 0.00 H new ATOM 849 N VAL A 60 0.885 -1.283 2.824 1.00 0.00 N ATOM 850 CA VAL A 60 0.213 -2.325 1.996 1.00 0.00 C ATOM 851 C VAL A 60 0.842 -3.696 2.219 1.00 0.00 C ATOM 852 O VAL A 60 1.961 -3.943 1.813 1.00 0.00 O ATOM 853 CB VAL A 60 0.408 -1.904 0.530 1.00 0.00 C ATOM 854 CG1 VAL A 60 -0.458 -0.682 0.219 1.00 0.00 C ATOM 855 CG2 VAL A 60 1.881 -1.570 0.248 1.00 0.00 C ATOM 0 H VAL A 60 1.716 -0.868 2.403 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.841 -2.403 2.264 1.00 0.00 H new ATOM 0 HB VAL A 60 0.110 -2.737 -0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.315 -0.390 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.507 -0.927 0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.171 0.143 0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.994 -1.275 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.198 -0.751 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.497 -2.447 0.446 1.00 0.00 H new ATOM 865 N TYR A 61 0.130 -4.611 2.826 1.00 0.00 N ATOM 866 CA TYR A 61 0.715 -5.964 3.001 1.00 0.00 C ATOM 867 C TYR A 61 0.783 -6.619 1.624 1.00 0.00 C ATOM 868 O TYR A 61 -0.212 -7.079 1.092 1.00 0.00 O ATOM 869 CB TYR A 61 -0.207 -6.749 3.930 1.00 0.00 C ATOM 870 CG TYR A 61 0.551 -7.960 4.411 1.00 0.00 C ATOM 871 CD1 TYR A 61 1.005 -8.913 3.486 1.00 0.00 C ATOM 872 CD2 TYR A 61 0.826 -8.122 5.771 1.00 0.00 C ATOM 873 CE1 TYR A 61 1.723 -10.024 3.919 1.00 0.00 C ATOM 874 CE2 TYR A 61 1.548 -9.236 6.209 1.00 0.00 C ATOM 875 CZ TYR A 61 1.998 -10.190 5.283 1.00 0.00 C ATOM 876 OH TYR A 61 2.712 -11.290 5.716 1.00 0.00 O ATOM 0 H TYR A 61 -0.810 -4.480 3.199 1.00 0.00 H new ATOM 0 HA TYR A 61 1.715 -5.930 3.433 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.516 -6.131 4.773 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.114 -7.049 3.405 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.796 -8.784 2.434 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.481 -7.387 6.483 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.068 -10.757 3.205 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.760 -9.363 7.260 1.00 0.00 H new ATOM 0 HH TYR A 61 2.815 -11.250 6.690 1.00 0.00 H new ATOM 886 N ILE A 62 1.940 -6.627 1.032 1.00 0.00 N ATOM 887 CA ILE A 62 2.078 -7.209 -0.329 1.00 0.00 C ATOM 888 C ILE A 62 2.188 -8.728 -0.274 1.00 0.00 C ATOM 889 O ILE A 62 2.848 -9.286 0.577 1.00 0.00 O ATOM 890 CB ILE A 62 3.369 -6.604 -0.882 1.00 0.00 C ATOM 891 CG1 ILE A 62 3.244 -5.075 -0.903 1.00 0.00 C ATOM 892 CG2 ILE A 62 3.633 -7.133 -2.299 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.242 -4.464 0.086 1.00 0.00 C ATOM 0 H ILE A 62 2.801 -6.254 1.433 1.00 0.00 H new ATOM 0 HA ILE A 62 1.210 -6.988 -0.951 1.00 0.00 H new ATOM 0 HB ILE A 62 4.206 -6.889 -0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.435 -4.698 -1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.228 -4.779 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.554 -6.697 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.730 -8.218 -2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.802 -6.860 -2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.152 -3.378 0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.030 -4.831 1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.255 -4.748 -0.197 1.00 0.00 H new ATOM 905 N THR A 63 1.570 -9.385 -1.211 1.00 0.00 N ATOM 906 CA THR A 63 1.651 -10.867 -1.295 1.00 0.00 C ATOM 907 C THR A 63 2.485 -11.202 -2.537 1.00 0.00 C ATOM 908 O THR A 63 3.320 -10.417 -2.950 1.00 0.00 O ATOM 909 CB THR A 63 0.203 -11.364 -1.443 1.00 0.00 C ATOM 910 OG1 THR A 63 -0.308 -10.976 -2.712 1.00 0.00 O ATOM 911 CG2 THR A 63 -0.671 -10.769 -0.337 1.00 0.00 C ATOM 0 H THR A 63 1.001 -8.949 -1.937 1.00 0.00 H new ATOM 0 HA THR A 63 2.114 -11.333 -0.425 1.00 0.00 H new ATOM 0 HB THR A 63 0.191 -12.451 -1.362 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.230 -11.295 -2.805 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.694 -11.127 -0.450 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.285 -11.075 0.636 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.657 -9.681 -0.408 1.00 0.00 H new ATOM 919 N GLU A 64 2.271 -12.330 -3.150 1.00 0.00 N ATOM 920 CA GLU A 64 3.066 -12.656 -4.369 1.00 0.00 C ATOM 921 C GLU A 64 2.388 -12.096 -5.634 1.00 0.00 C ATOM 922 O GLU A 64 2.990 -12.062 -6.691 1.00 0.00 O ATOM 923 CB GLU A 64 3.107 -14.186 -4.431 1.00 0.00 C ATOM 924 CG GLU A 64 4.267 -14.707 -3.586 1.00 0.00 C ATOM 925 CD GLU A 64 4.801 -16.008 -4.189 1.00 0.00 C ATOM 926 OE1 GLU A 64 5.676 -15.931 -5.037 1.00 0.00 O ATOM 927 OE2 GLU A 64 4.327 -17.060 -3.792 1.00 0.00 O ATOM 0 H GLU A 64 1.590 -13.034 -2.867 1.00 0.00 H new ATOM 0 HA GLU A 64 4.063 -12.217 -4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.166 -14.599 -4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.221 -14.514 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.061 -13.962 -3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.935 -14.879 -2.562 1.00 0.00 H new ATOM 934 N ASN A 65 1.141 -11.675 -5.549 1.00 0.00 N ATOM 935 CA ASN A 65 0.443 -11.145 -6.770 1.00 0.00 C ATOM 936 C ASN A 65 -0.131 -9.735 -6.544 1.00 0.00 C ATOM 937 O ASN A 65 -1.092 -9.344 -7.182 1.00 0.00 O ATOM 938 CB ASN A 65 -0.682 -12.150 -7.042 1.00 0.00 C ATOM 939 CG ASN A 65 -0.327 -13.004 -8.265 1.00 0.00 C ATOM 940 OD1 ASN A 65 -1.188 -13.338 -9.054 1.00 0.00 O ATOM 941 ND2 ASN A 65 0.911 -13.372 -8.457 1.00 0.00 N ATOM 0 H ASN A 65 0.583 -11.676 -4.695 1.00 0.00 H new ATOM 0 HA ASN A 65 1.132 -11.046 -7.609 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.831 -12.789 -6.171 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.620 -11.623 -7.215 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.154 -13.939 -9.269 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.635 -13.092 -7.795 1.00 0.00 H new ATOM 948 N MET A 66 0.452 -8.965 -5.662 1.00 0.00 N ATOM 949 CA MET A 66 -0.055 -7.579 -5.416 1.00 0.00 C ATOM 950 C MET A 66 1.015 -6.543 -5.814 1.00 0.00 C ATOM 951 O MET A 66 0.701 -5.435 -6.202 1.00 0.00 O ATOM 952 CB MET A 66 -0.349 -7.526 -3.918 1.00 0.00 C ATOM 953 CG MET A 66 -1.480 -8.500 -3.576 1.00 0.00 C ATOM 954 SD MET A 66 -3.075 -7.721 -3.930 1.00 0.00 S ATOM 955 CE MET A 66 -3.935 -9.209 -4.497 1.00 0.00 C ATOM 0 H MET A 66 1.259 -9.236 -5.100 1.00 0.00 H new ATOM 0 HA MET A 66 -0.942 -7.347 -6.005 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.547 -7.782 -3.353 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.629 -6.513 -3.629 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.374 -9.416 -4.157 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.426 -8.782 -2.524 1.00 0.00 H new ATOM 0 HE1 MET A 66 -4.959 -8.955 -4.773 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.417 -9.621 -5.363 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.948 -9.949 -3.697 1.00 0.00 H new ATOM 965 N VAL A 67 2.275 -6.904 -5.721 1.00 0.00 N ATOM 966 CA VAL A 67 3.388 -5.960 -6.088 1.00 0.00 C ATOM 967 C VAL A 67 3.382 -5.623 -7.588 1.00 0.00 C ATOM 968 O VAL A 67 2.782 -6.312 -8.392 1.00 0.00 O ATOM 969 CB VAL A 67 4.680 -6.714 -5.736 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.699 -8.077 -6.438 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.888 -5.899 -6.205 1.00 0.00 C ATOM 0 H VAL A 67 2.585 -7.822 -5.403 1.00 0.00 H new ATOM 0 HA VAL A 67 3.286 -5.013 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 67 4.723 -6.860 -4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.618 -8.605 -6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.841 -8.665 -6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.652 -7.931 -7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.805 -6.432 -5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.833 -5.755 -7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.887 -4.928 -5.709 1.00 0.00 H new ATOM 981 N GLY A 68 4.085 -4.575 -7.964 1.00 0.00 N ATOM 982 CA GLY A 68 4.170 -4.195 -9.404 1.00 0.00 C ATOM 983 C GLY A 68 3.712 -2.750 -9.631 1.00 0.00 C ATOM 984 O GLY A 68 3.883 -2.219 -10.713 1.00 0.00 O ATOM 0 H GLY A 68 4.603 -3.969 -7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.196 -4.312 -9.752 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.553 -4.871 -9.997 1.00 0.00 H new ATOM 988 N HIS A 69 3.114 -2.108 -8.652 1.00 0.00 N ATOM 989 CA HIS A 69 2.639 -0.716 -8.874 1.00 0.00 C ATOM 990 C HIS A 69 3.228 0.239 -7.829 1.00 0.00 C ATOM 991 O HIS A 69 4.221 0.894 -8.068 1.00 0.00 O ATOM 992 CB HIS A 69 1.113 -0.807 -8.742 1.00 0.00 C ATOM 993 CG HIS A 69 0.561 -1.657 -9.859 1.00 0.00 C ATOM 994 ND1 HIS A 69 0.832 -2.949 -10.255 1.00 0.00 N flip ATOM 995 CD2 HIS A 69 -0.404 -1.189 -10.737 1.00 0.00 C flip ATOM 996 CE1 HIS A 69 0.048 -3.273 -11.358 1.00 0.00 C flip ATOM 997 NE2 HIS A 69 -0.677 -2.179 -11.607 1.00 0.00 N flip ATOM 0 H HIS A 69 2.939 -2.488 -7.722 1.00 0.00 H new ATOM 0 HA HIS A 69 2.947 -0.323 -9.843 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.846 -1.238 -7.777 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.674 0.190 -8.779 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.855 -0.208 -10.725 1.00 0.00 H new ATOM 0 HE1 HIS A 69 0.030 -4.209 -11.897 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -1.355 -2.103 -12.365 1.00 0.00 H new ATOM 1005 N LYS A 70 2.606 0.327 -6.682 1.00 0.00 N ATOM 1006 CA LYS A 70 3.094 1.243 -5.596 1.00 0.00 C ATOM 1007 C LYS A 70 2.160 1.174 -4.384 1.00 0.00 C ATOM 1008 O LYS A 70 2.571 1.352 -3.255 1.00 0.00 O ATOM 1009 CB LYS A 70 3.096 2.664 -6.184 1.00 0.00 C ATOM 1010 CG LYS A 70 1.827 2.893 -7.007 1.00 0.00 C ATOM 1011 CD LYS A 70 0.740 3.515 -6.126 1.00 0.00 C ATOM 1012 CE LYS A 70 -0.096 4.497 -6.954 1.00 0.00 C ATOM 1013 NZ LYS A 70 -1.378 3.787 -7.229 1.00 0.00 N ATOM 0 H LYS A 70 1.768 -0.203 -6.444 1.00 0.00 H new ATOM 0 HA LYS A 70 4.091 0.956 -5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.156 3.398 -5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.976 2.805 -6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.043 3.549 -7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.476 1.948 -7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.100 2.734 -5.715 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.195 4.032 -5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.269 5.424 -6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.413 4.763 -7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.959 4.357 -7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.177 2.865 -7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.893 3.643 -6.337 1.00 0.00 H new ATOM 1027 N LEU A 71 0.909 0.911 -4.645 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.142 0.812 -3.573 1.00 0.00 C ATOM 1029 C LEU A 71 -1.549 0.657 -4.203 1.00 0.00 C ATOM 1030 O LEU A 71 -2.486 0.270 -3.532 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.055 2.121 -2.754 1.00 0.00 C ATOM 1032 CG LEU A 71 -0.952 3.211 -3.360 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.296 3.241 -2.625 1.00 0.00 C ATOM 1034 CD2 LEU A 71 -0.265 4.572 -3.214 1.00 0.00 C ATOM 0 H LEU A 71 0.553 0.754 -5.588 1.00 0.00 H new ATOM 0 HA LEU A 71 0.023 -0.060 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.355 1.930 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.978 2.469 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.121 2.995 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.930 4.015 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.787 2.273 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.129 3.456 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.899 5.348 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.097 4.784 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.691 4.555 -3.737 1.00 0.00 H new ATOM 1046 N GLY A 72 -1.704 0.959 -5.482 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.040 0.836 -6.142 1.00 0.00 C ATOM 1048 C GLY A 72 -3.411 -0.638 -6.338 1.00 0.00 C ATOM 1049 O GLY A 72 -4.557 -0.962 -6.572 1.00 0.00 O ATOM 0 H GLY A 72 -0.954 1.286 -6.091 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.799 1.330 -5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.023 1.344 -7.106 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.463 -1.535 -6.225 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.781 -2.988 -6.384 1.00 0.00 C ATOM 1055 C GLU A 73 -3.238 -3.557 -5.044 1.00 0.00 C ATOM 1056 O GLU A 73 -3.870 -4.594 -4.978 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.473 -3.649 -6.813 1.00 0.00 C ATOM 1058 CG GLU A 73 -1.335 -3.573 -8.331 1.00 0.00 C ATOM 1059 CD GLU A 73 -2.381 -4.473 -8.995 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -2.211 -5.681 -8.951 1.00 0.00 O ATOM 1061 OE2 GLU A 73 -3.331 -3.937 -9.541 1.00 0.00 O ATOM 0 H GLU A 73 -1.484 -1.325 -6.030 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.576 -3.159 -7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.629 -3.152 -6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.456 -4.689 -6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.463 -2.544 -8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.334 -3.883 -8.630 1.00 0.00 H new