USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 555 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 69 LYS NZ :NH3+ -162:sc= 0.876 (180deg=0) USER MOD Set 1.2: A 72 ASN : amide:sc= 0.769 K(o=1.6,f=-2.4) USER MOD Set 2.1: A 44 GLN : amide:sc= 0.204 K(o=2.4,f=1.1) USER MOD Set 2.2: A 48 SER OG : rot 81:sc= 2.16 USER MOD Set 3.1: A 45 THR OG1 : rot 180:sc= 0.148 USER MOD Set 3.2: A 46 THR OG1 : rot 159:sc= 1.25 USER MOD Single : A 11 GLN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 17 LYS NZ :NH3+ 136:sc= 0.752 (180deg=-0.138) USER MOD Single : A 18 GLN : amide:sc= 0.693 K(o=0.69,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0408) USER MOD Single : A 34 MET CE :methyl -178:sc= -0.66 (180deg=-0.67) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -171:sc= 1.21 USER MOD Single : A 40 ASN : amide:sc= -0.271 K(o=-0.27,f=-6.7!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.117 USER MOD Single : A 54 ASN : amide:sc= 0.859 K(o=0.86,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0609 USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0357) USER MOD Single : A 59 ASN : amide:sc=-0.00844 K(o=-0.0084,f=-2.7!) USER MOD Single : A 60 MET CE :methyl -170:sc= -1.16 (180deg=-1.53) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 153:sc= 0.681 (180deg=0.266) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 6 3.986 5.446 -1.416 1.00 0.00 N ATOM 16 CA LEU A 6 4.532 5.553 -0.064 1.00 0.00 C ATOM 17 C LEU A 6 5.139 4.242 0.440 1.00 0.00 C ATOM 18 O LEU A 6 6.300 4.218 0.840 1.00 0.00 O ATOM 19 CB LEU A 6 3.463 6.079 0.904 1.00 0.00 C ATOM 20 CG LEU A 6 3.298 7.608 0.843 1.00 0.00 C ATOM 21 CD1 LEU A 6 2.725 8.114 -0.487 1.00 0.00 C ATOM 22 CD2 LEU A 6 2.376 8.056 1.984 1.00 0.00 C ATOM 0 HA LEU A 6 5.353 6.269 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.508 5.606 0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.726 5.788 1.921 1.00 0.00 H new ATOM 0 HG LEU A 6 4.296 8.035 0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.637 9.200 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.389 7.827 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.741 7.675 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.253 9.138 1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.403 7.577 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.816 7.772 2.940 1.00 0.00 H new ATOM 34 N GLU A 7 4.362 3.155 0.388 1.00 0.00 N ATOM 35 CA GLU A 7 4.786 1.829 0.825 1.00 0.00 C ATOM 36 C GLU A 7 6.108 1.407 0.172 1.00 0.00 C ATOM 37 O GLU A 7 6.966 0.815 0.827 1.00 0.00 O ATOM 38 CB GLU A 7 3.685 0.807 0.517 1.00 0.00 C ATOM 39 CG GLU A 7 2.394 1.105 1.291 1.00 0.00 C ATOM 40 CD GLU A 7 1.329 0.053 1.003 1.00 0.00 C ATOM 41 OE1 GLU A 7 1.374 -1.000 1.675 1.00 0.00 O ATOM 42 OE2 GLU A 7 0.502 0.315 0.103 1.00 0.00 O ATOM 0 H GLU A 7 3.405 3.177 0.034 1.00 0.00 H new ATOM 0 HA GLU A 7 4.956 1.867 1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.476 0.810 -0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.037 -0.193 0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.605 1.131 2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.020 2.091 1.016 1.00 0.00 H new ATOM 49 N GLU A 8 6.272 1.705 -1.119 1.00 0.00 N ATOM 50 CA GLU A 8 7.518 1.466 -1.825 1.00 0.00 C ATOM 51 C GLU A 8 8.563 2.455 -1.316 1.00 0.00 C ATOM 52 O GLU A 8 9.650 2.056 -0.911 1.00 0.00 O ATOM 53 CB GLU A 8 7.330 1.634 -3.341 1.00 0.00 C ATOM 54 CG GLU A 8 6.167 0.812 -3.910 1.00 0.00 C ATOM 55 CD GLU A 8 6.027 1.056 -5.409 1.00 0.00 C ATOM 56 OE1 GLU A 8 5.696 2.209 -5.764 1.00 0.00 O ATOM 57 OE2 GLU A 8 6.281 0.100 -6.172 1.00 0.00 O ATOM 0 H GLU A 8 5.541 2.118 -1.698 1.00 0.00 H new ATOM 0 HA GLU A 8 7.846 0.443 -1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.162 2.688 -3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.251 1.344 -3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.336 -0.248 -3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.240 1.082 -3.403 1.00 0.00 H new ATOM 64 N LEU A 9 8.233 3.750 -1.368 1.00 0.00 N ATOM 65 CA LEU A 9 9.152 4.848 -1.090 1.00 0.00 C ATOM 66 C LEU A 9 9.859 4.680 0.256 1.00 0.00 C ATOM 67 O LEU A 9 11.085 4.754 0.306 1.00 0.00 O ATOM 68 CB LEU A 9 8.411 6.193 -1.144 1.00 0.00 C ATOM 69 CG LEU A 9 7.848 6.542 -2.533 1.00 0.00 C ATOM 70 CD1 LEU A 9 6.967 7.792 -2.426 1.00 0.00 C ATOM 71 CD2 LEU A 9 8.967 6.754 -3.555 1.00 0.00 C ATOM 0 H LEU A 9 7.294 4.067 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 9 9.920 4.833 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.592 6.174 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.092 6.984 -0.830 1.00 0.00 H new ATOM 0 HG LEU A 9 7.246 5.704 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.567 8.041 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.144 7.599 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.562 8.626 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.533 6.999 -4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.608 7.572 -3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.558 5.842 -3.642 1.00 0.00 H new ATOM 83 N GLU A 10 9.101 4.476 1.339 1.00 0.00 N ATOM 84 CA GLU A 10 9.649 4.420 2.690 1.00 0.00 C ATOM 85 C GLU A 10 10.773 3.393 2.798 1.00 0.00 C ATOM 86 O GLU A 10 11.917 3.720 3.118 1.00 0.00 O ATOM 87 CB GLU A 10 8.527 4.197 3.716 1.00 0.00 C ATOM 88 CG GLU A 10 7.658 2.943 3.539 1.00 0.00 C ATOM 89 CD GLU A 10 6.337 3.074 4.292 1.00 0.00 C ATOM 90 OE1 GLU A 10 5.447 3.779 3.768 1.00 0.00 O ATOM 91 OE2 GLU A 10 6.245 2.472 5.383 1.00 0.00 O ATOM 0 H GLU A 10 8.090 4.346 1.299 1.00 0.00 H new ATOM 0 HA GLU A 10 10.105 5.383 2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.978 4.159 4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.872 5.068 3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.461 2.781 2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.200 2.069 3.900 1.00 0.00 H new ATOM 98 N GLN A 11 10.418 2.148 2.500 1.00 0.00 N ATOM 99 CA GLN A 11 11.345 1.031 2.424 1.00 0.00 C ATOM 100 C GLN A 11 12.493 1.387 1.480 1.00 0.00 C ATOM 101 O GLN A 11 13.658 1.399 1.876 1.00 0.00 O ATOM 102 CB GLN A 11 10.609 -0.224 1.932 1.00 0.00 C ATOM 103 CG GLN A 11 9.570 -0.727 2.941 1.00 0.00 C ATOM 104 CD GLN A 11 8.844 -1.957 2.411 1.00 0.00 C ATOM 105 OE1 GLN A 11 9.152 -3.081 2.792 1.00 0.00 O ATOM 106 NE2 GLN A 11 7.875 -1.759 1.525 1.00 0.00 N ATOM 0 H GLN A 11 9.453 1.884 2.300 1.00 0.00 H new ATOM 0 HA GLN A 11 11.754 0.825 3.413 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.115 -0.004 0.985 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.334 -1.014 1.737 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.061 -0.968 3.884 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.849 0.063 3.150 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.642 -0.812 1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.364 -2.554 1.142 1.00 0.00 H new ATOM 115 N PHE A 12 12.153 1.667 0.219 1.00 0.00 N ATOM 116 CA PHE A 12 13.106 1.869 -0.857 1.00 0.00 C ATOM 117 C PHE A 12 14.182 2.876 -0.464 1.00 0.00 C ATOM 118 O PHE A 12 15.364 2.590 -0.616 1.00 0.00 O ATOM 119 CB PHE A 12 12.392 2.297 -2.143 1.00 0.00 C ATOM 120 CG PHE A 12 13.360 2.648 -3.254 1.00 0.00 C ATOM 121 CD1 PHE A 12 14.015 1.624 -3.965 1.00 0.00 C ATOM 122 CD2 PHE A 12 13.797 3.977 -3.386 1.00 0.00 C ATOM 123 CE1 PHE A 12 15.109 1.931 -4.793 1.00 0.00 C ATOM 124 CE2 PHE A 12 14.881 4.285 -4.224 1.00 0.00 C ATOM 125 CZ PHE A 12 15.537 3.261 -4.928 1.00 0.00 C ATOM 0 H PHE A 12 11.183 1.760 -0.081 1.00 0.00 H new ATOM 0 HA PHE A 12 13.602 0.917 -1.047 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.737 1.492 -2.477 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.757 3.158 -1.933 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.677 0.602 -3.874 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.297 4.764 -2.841 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.620 1.143 -5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 12 15.210 5.308 -4.327 1.00 0.00 H new ATOM 0 HZ PHE A 12 16.370 3.497 -5.573 1.00 0.00 H new ATOM 135 N ALA A 13 13.800 4.045 0.048 1.00 0.00 N ATOM 136 CA ALA A 13 14.759 5.094 0.360 1.00 0.00 C ATOM 137 C ALA A 13 15.816 4.579 1.343 1.00 0.00 C ATOM 138 O ALA A 13 17.020 4.621 1.077 1.00 0.00 O ATOM 139 CB ALA A 13 14.023 6.332 0.882 1.00 0.00 C ATOM 0 H ALA A 13 12.831 4.286 0.254 1.00 0.00 H new ATOM 0 HA ALA A 13 15.290 5.388 -0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.746 7.114 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.331 6.692 0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.468 6.072 1.783 1.00 0.00 H new ATOM 145 N LYS A 14 15.367 4.020 2.466 1.00 0.00 N ATOM 146 CA LYS A 14 16.262 3.453 3.465 1.00 0.00 C ATOM 147 C LYS A 14 17.014 2.228 2.919 1.00 0.00 C ATOM 148 O LYS A 14 18.084 1.870 3.414 1.00 0.00 O ATOM 149 CB LYS A 14 15.457 3.127 4.729 1.00 0.00 C ATOM 150 CG LYS A 14 14.776 4.395 5.267 1.00 0.00 C ATOM 151 CD LYS A 14 14.069 4.118 6.596 1.00 0.00 C ATOM 152 CE LYS A 14 13.384 5.399 7.086 1.00 0.00 C ATOM 153 NZ LYS A 14 12.694 5.183 8.370 1.00 0.00 N ATOM 0 H LYS A 14 14.378 3.949 2.705 1.00 0.00 H new ATOM 0 HA LYS A 14 17.029 4.184 3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.706 2.369 4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 14 16.115 2.708 5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.519 5.181 5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.054 4.762 4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.333 3.324 6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.788 3.771 7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.126 6.190 7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.667 5.739 6.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.241 6.068 8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.970 4.445 8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.383 4.883 9.088 1.00 0.00 H new ATOM 167 N THR A 15 16.473 1.576 1.891 1.00 0.00 N ATOM 168 CA THR A 15 17.126 0.444 1.239 1.00 0.00 C ATOM 169 C THR A 15 18.253 0.953 0.346 1.00 0.00 C ATOM 170 O THR A 15 19.333 0.370 0.334 1.00 0.00 O ATOM 171 CB THR A 15 16.120 -0.430 0.479 1.00 0.00 C ATOM 172 OG1 THR A 15 15.107 -0.846 1.369 1.00 0.00 O ATOM 173 CG2 THR A 15 16.776 -1.689 -0.095 1.00 0.00 C ATOM 0 H THR A 15 15.568 1.819 1.487 1.00 0.00 H new ATOM 0 HA THR A 15 17.563 -0.203 2.000 1.00 0.00 H new ATOM 0 HB THR A 15 15.720 0.167 -0.341 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.458 -0.121 1.488 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.029 -2.279 -0.625 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.569 -1.403 -0.786 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.198 -2.282 0.717 1.00 0.00 H new ATOM 181 N PHE A 16 18.029 2.063 -0.364 1.00 0.00 N ATOM 182 CA PHE A 16 19.066 2.764 -1.094 1.00 0.00 C ATOM 183 C PHE A 16 20.200 3.085 -0.123 1.00 0.00 C ATOM 184 O PHE A 16 21.349 2.759 -0.402 1.00 0.00 O ATOM 185 CB PHE A 16 18.485 3.995 -1.813 1.00 0.00 C ATOM 186 CG PHE A 16 19.496 4.754 -2.650 1.00 0.00 C ATOM 187 CD1 PHE A 16 20.297 5.756 -2.066 1.00 0.00 C ATOM 188 CD2 PHE A 16 19.586 4.508 -4.029 1.00 0.00 C ATOM 189 CE1 PHE A 16 21.167 6.522 -2.866 1.00 0.00 C ATOM 190 CE2 PHE A 16 20.398 5.322 -4.836 1.00 0.00 C ATOM 191 CZ PHE A 16 21.209 6.310 -4.255 1.00 0.00 C ATOM 0 H PHE A 16 17.109 2.497 -0.443 1.00 0.00 H new ATOM 0 HA PHE A 16 19.480 2.143 -1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.665 3.674 -2.455 1.00 0.00 H new ATOM 0 HB3 PHE A 16 18.063 4.671 -1.070 1.00 0.00 H new ATOM 0 HD1 PHE A 16 20.244 5.937 -1.003 1.00 0.00 H new ATOM 0 HD2 PHE A 16 19.031 3.693 -4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 16 21.800 7.271 -2.413 1.00 0.00 H new ATOM 0 HE2 PHE A 16 20.398 5.187 -5.908 1.00 0.00 H new ATOM 0 HZ PHE A 16 21.864 6.906 -4.874 1.00 0.00 H new ATOM 201 N LYS A 17 19.873 3.644 1.049 1.00 0.00 N ATOM 202 CA LYS A 17 20.870 3.902 2.084 1.00 0.00 C ATOM 203 C LYS A 17 21.654 2.635 2.443 1.00 0.00 C ATOM 204 O LYS A 17 22.882 2.622 2.394 1.00 0.00 O ATOM 205 CB LYS A 17 20.210 4.505 3.333 1.00 0.00 C ATOM 206 CG LYS A 17 21.238 5.281 4.166 1.00 0.00 C ATOM 207 CD LYS A 17 20.557 5.911 5.387 1.00 0.00 C ATOM 208 CE LYS A 17 21.519 6.788 6.197 1.00 0.00 C ATOM 209 NZ LYS A 17 22.003 7.941 5.415 1.00 0.00 N ATOM 0 H LYS A 17 18.925 3.925 1.300 1.00 0.00 H new ATOM 0 HA LYS A 17 21.581 4.625 1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.398 5.169 3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.769 3.712 3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 17 22.036 4.612 4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 17 21.700 6.057 3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 17 19.709 6.512 5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 17 20.160 5.123 6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 17 21.016 7.144 7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 17 22.369 6.189 6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 21.975 8.797 6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 22.980 7.765 5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 21.395 8.075 4.582 1.00 0.00 H new ATOM 223 N GLN A 18 20.955 1.565 2.829 1.00 0.00 N ATOM 224 CA GLN A 18 21.612 0.326 3.231 1.00 0.00 C ATOM 225 C GLN A 18 22.513 -0.211 2.115 1.00 0.00 C ATOM 226 O GLN A 18 23.687 -0.491 2.342 1.00 0.00 O ATOM 227 CB GLN A 18 20.561 -0.703 3.656 1.00 0.00 C ATOM 228 CG GLN A 18 19.989 -0.347 5.033 1.00 0.00 C ATOM 229 CD GLN A 18 18.694 -1.101 5.301 1.00 0.00 C ATOM 230 OE1 GLN A 18 18.688 -2.135 5.959 1.00 0.00 O ATOM 231 NE2 GLN A 18 17.588 -0.583 4.781 1.00 0.00 N ATOM 0 H GLN A 18 19.936 1.535 2.871 1.00 0.00 H new ATOM 0 HA GLN A 18 22.257 0.530 4.086 1.00 0.00 H new ATOM 0 HB2 GLN A 18 19.758 -0.737 2.920 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.008 -1.697 3.687 1.00 0.00 H new ATOM 0 HG2 GLN A 18 20.719 -0.586 5.806 1.00 0.00 H new ATOM 0 HG3 GLN A 18 19.806 0.726 5.088 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.635 0.280 4.239 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.691 -1.048 4.923 1.00 0.00 H new ATOM 240 N ARG A 19 21.977 -0.355 0.904 1.00 0.00 N ATOM 241 CA ARG A 19 22.712 -0.889 -0.234 1.00 0.00 C ATOM 242 C ARG A 19 23.930 -0.012 -0.543 1.00 0.00 C ATOM 243 O ARG A 19 25.031 -0.519 -0.746 1.00 0.00 O ATOM 244 CB ARG A 19 21.755 -1.010 -1.427 1.00 0.00 C ATOM 245 CG ARG A 19 22.327 -1.807 -2.607 1.00 0.00 C ATOM 246 CD ARG A 19 22.668 -3.259 -2.246 1.00 0.00 C ATOM 247 NE ARG A 19 22.544 -4.146 -3.413 1.00 0.00 N ATOM 248 CZ ARG A 19 23.345 -4.153 -4.489 1.00 0.00 C ATOM 249 NH1 ARG A 19 24.409 -3.350 -4.554 1.00 0.00 N ATOM 250 NH2 ARG A 19 23.068 -4.974 -5.508 1.00 0.00 N ATOM 0 H ARG A 19 21.013 -0.102 0.687 1.00 0.00 H new ATOM 0 HA ARG A 19 23.097 -1.883 -0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 19 20.833 -1.486 -1.093 1.00 0.00 H new ATOM 0 HB3 ARG A 19 21.491 -0.010 -1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 19 21.606 -1.802 -3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 19 23.225 -1.309 -2.972 1.00 0.00 H new ATOM 0 HD2 ARG A 19 23.684 -3.309 -1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 19 22.004 -3.604 -1.453 1.00 0.00 H new ATOM 0 HE ARG A 19 21.777 -4.819 -3.403 1.00 0.00 H new ATOM 0 HH11 ARG A 19 24.621 -2.721 -3.780 1.00 0.00 H new ATOM 0 HH12 ARG A 19 25.010 -3.365 -5.378 1.00 0.00 H new ATOM 0 HH21 ARG A 19 22.254 -5.587 -5.462 1.00 0.00 H new ATOM 0 HH22 ARG A 19 23.671 -4.987 -6.331 1.00 0.00 H new ATOM 264 N ARG A 20 23.741 1.310 -0.541 1.00 0.00 N ATOM 265 CA ARG A 20 24.812 2.287 -0.670 1.00 0.00 C ATOM 266 C ARG A 20 25.912 2.018 0.366 1.00 0.00 C ATOM 267 O ARG A 20 27.096 1.978 0.023 1.00 0.00 O ATOM 268 CB ARG A 20 24.207 3.689 -0.520 1.00 0.00 C ATOM 269 CG ARG A 20 25.261 4.788 -0.601 1.00 0.00 C ATOM 270 CD ARG A 20 24.698 6.128 -0.112 1.00 0.00 C ATOM 271 NE ARG A 20 24.488 6.130 1.342 1.00 0.00 N ATOM 272 CZ ARG A 20 25.471 6.237 2.249 1.00 0.00 C ATOM 273 NH1 ARG A 20 26.753 6.306 1.866 1.00 0.00 N ATOM 274 NH2 ARG A 20 25.163 6.270 3.549 1.00 0.00 N ATOM 0 H ARG A 20 22.818 1.734 -0.447 1.00 0.00 H new ATOM 0 HA ARG A 20 25.283 2.211 -1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.462 3.846 -1.300 1.00 0.00 H new ATOM 0 HB3 ARG A 20 23.687 3.757 0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 20 26.126 4.512 0.001 1.00 0.00 H new ATOM 0 HG3 ARG A 20 25.608 4.889 -1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 20 25.384 6.931 -0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 20 23.754 6.332 -0.617 1.00 0.00 H new ATOM 0 HE ARG A 20 23.531 6.044 1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 20 26.991 6.277 0.875 1.00 0.00 H new ATOM 0 HH12 ARG A 20 27.491 6.387 2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 20 24.188 6.214 3.844 1.00 0.00 H new ATOM 0 HH22 ARG A 20 25.903 6.351 4.246 1.00 0.00 H new ATOM 288 N ILE A 21 25.526 1.846 1.635 1.00 0.00 N ATOM 289 CA ILE A 21 26.463 1.534 2.705 1.00 0.00 C ATOM 290 C ILE A 21 27.189 0.220 2.401 1.00 0.00 C ATOM 291 O ILE A 21 28.413 0.177 2.497 1.00 0.00 O ATOM 292 CB ILE A 21 25.762 1.551 4.080 1.00 0.00 C ATOM 293 CG1 ILE A 21 25.398 3.005 4.439 1.00 0.00 C ATOM 294 CG2 ILE A 21 26.663 0.954 5.173 1.00 0.00 C ATOM 295 CD1 ILE A 21 24.393 3.103 5.591 1.00 0.00 C ATOM 0 H ILE A 21 24.556 1.920 1.943 1.00 0.00 H new ATOM 0 HA ILE A 21 27.227 2.309 2.757 1.00 0.00 H new ATOM 0 HB ILE A 21 24.861 0.941 4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 21 26.306 3.545 4.709 1.00 0.00 H new ATOM 0 HG13 ILE A 21 24.984 3.498 3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 21 26.141 0.980 6.129 1.00 0.00 H new ATOM 0 HG22 ILE A 21 26.906 -0.078 4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 21 27.582 1.536 5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 21 24.177 4.151 5.797 1.00 0.00 H new ATOM 0 HD12 ILE A 21 23.472 2.590 5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 21 24.814 2.638 6.482 1.00 0.00 H new ATOM 307 N LYS A 22 26.477 -0.838 1.998 1.00 0.00 N ATOM 308 CA LYS A 22 27.113 -2.100 1.618 1.00 0.00 C ATOM 309 C LYS A 22 28.132 -1.893 0.488 1.00 0.00 C ATOM 310 O LYS A 22 29.225 -2.450 0.536 1.00 0.00 O ATOM 311 CB LYS A 22 26.069 -3.159 1.233 1.00 0.00 C ATOM 312 CG LYS A 22 25.125 -3.560 2.378 1.00 0.00 C ATOM 313 CD LYS A 22 25.854 -4.261 3.533 1.00 0.00 C ATOM 314 CE LYS A 22 24.862 -4.828 4.556 1.00 0.00 C ATOM 315 NZ LYS A 22 24.046 -3.769 5.178 1.00 0.00 N ATOM 0 H LYS A 22 25.459 -0.843 1.927 1.00 0.00 H new ATOM 0 HA LYS A 22 27.653 -2.469 2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.474 -2.780 0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 22 26.586 -4.049 0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 22 24.624 -2.670 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 22 24.350 -4.221 1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 22 26.474 -5.067 3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 22 26.523 -3.555 4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 22 24.208 -5.549 4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 22 25.408 -5.367 5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 23.437 -4.185 5.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 24.670 -3.058 5.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 23.454 -3.316 4.453 1.00 0.00 H new ATOM 329 N LEU A 23 27.793 -1.077 -0.514 1.00 0.00 N ATOM 330 CA LEU A 23 28.722 -0.704 -1.578 1.00 0.00 C ATOM 331 C LEU A 23 29.889 0.146 -1.054 1.00 0.00 C ATOM 332 O LEU A 23 30.903 0.285 -1.735 1.00 0.00 O ATOM 333 CB LEU A 23 27.976 0.049 -2.692 1.00 0.00 C ATOM 334 CG LEU A 23 26.991 -0.828 -3.483 1.00 0.00 C ATOM 335 CD1 LEU A 23 26.024 0.051 -4.285 1.00 0.00 C ATOM 336 CD2 LEU A 23 27.746 -1.752 -4.446 1.00 0.00 C ATOM 0 H LEU A 23 26.868 -0.658 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 23 29.144 -1.625 -1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.431 0.884 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.705 0.473 -3.382 1.00 0.00 H new ATOM 0 HG LEU A 23 26.429 -1.433 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.332 -0.582 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.463 0.691 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.588 0.670 -4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 23 27.032 -2.365 -4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 23 28.326 -1.151 -5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 23 28.417 -2.398 -3.880 1.00 0.00 H new ATOM 348 N GLY A 24 29.754 0.750 0.131 1.00 0.00 N ATOM 349 CA GLY A 24 30.710 1.708 0.662 1.00 0.00 C ATOM 350 C GLY A 24 30.696 2.996 -0.158 1.00 0.00 C ATOM 351 O GLY A 24 31.680 3.735 -0.185 1.00 0.00 O ATOM 0 H GLY A 24 28.963 0.580 0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 24 30.470 1.930 1.702 1.00 0.00 H new ATOM 0 HA3 GLY A 24 31.710 1.275 0.651 1.00 0.00 H new ATOM 355 N PHE A 25 29.580 3.283 -0.836 1.00 0.00 N ATOM 356 CA PHE A 25 29.489 4.432 -1.720 1.00 0.00 C ATOM 357 C PHE A 25 29.103 5.647 -0.893 1.00 0.00 C ATOM 358 O PHE A 25 27.936 5.925 -0.630 1.00 0.00 O ATOM 359 CB PHE A 25 28.579 4.127 -2.914 1.00 0.00 C ATOM 360 CG PHE A 25 29.172 3.183 -3.957 1.00 0.00 C ATOM 361 CD1 PHE A 25 30.479 2.657 -3.841 1.00 0.00 C ATOM 362 CD2 PHE A 25 28.424 2.897 -5.114 1.00 0.00 C ATOM 363 CE1 PHE A 25 30.981 1.782 -4.819 1.00 0.00 C ATOM 364 CE2 PHE A 25 28.942 2.049 -6.109 1.00 0.00 C ATOM 365 CZ PHE A 25 30.212 1.472 -5.951 1.00 0.00 C ATOM 0 H PHE A 25 28.727 2.727 -0.784 1.00 0.00 H new ATOM 0 HA PHE A 25 30.451 4.665 -2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.650 3.695 -2.542 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.320 5.066 -3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 25 31.095 2.929 -2.996 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.444 3.333 -5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 25 31.962 1.347 -4.699 1.00 0.00 H new ATOM 0 HE2 PHE A 25 28.362 1.841 -6.996 1.00 0.00 H new ATOM 0 HZ PHE A 25 30.596 0.792 -6.698 1.00 0.00 H new ATOM 413 N ASP A 29 30.689 9.504 -3.735 1.00 0.00 N ATOM 414 CA ASP A 29 30.563 8.488 -4.771 1.00 0.00 C ATOM 415 C ASP A 29 29.170 8.563 -5.392 1.00 0.00 C ATOM 416 O ASP A 29 29.037 8.652 -6.614 1.00 0.00 O ATOM 417 CB ASP A 29 30.838 7.091 -4.202 1.00 0.00 C ATOM 418 CG ASP A 29 30.753 6.027 -5.296 1.00 0.00 C ATOM 419 OD1 ASP A 29 29.613 5.728 -5.710 1.00 0.00 O ATOM 420 OD2 ASP A 29 31.831 5.543 -5.699 1.00 0.00 O ATOM 0 HA ASP A 29 31.305 8.677 -5.547 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.827 7.069 -3.745 1.00 0.00 H new ATOM 0 HB3 ASP A 29 30.118 6.867 -3.415 1.00 0.00 H new ATOM 425 N VAL A 30 28.136 8.534 -4.544 1.00 0.00 N ATOM 426 CA VAL A 30 26.770 8.599 -5.040 1.00 0.00 C ATOM 427 C VAL A 30 26.585 9.873 -5.855 1.00 0.00 C ATOM 428 O VAL A 30 26.166 9.795 -7.004 1.00 0.00 O ATOM 429 CB VAL A 30 25.737 8.440 -3.911 1.00 0.00 C ATOM 430 CG1 VAL A 30 24.304 8.610 -4.430 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.851 7.038 -3.309 1.00 0.00 C ATOM 0 H VAL A 30 28.222 8.467 -3.530 1.00 0.00 H new ATOM 0 HA VAL A 30 26.590 7.753 -5.704 1.00 0.00 H new ATOM 0 HB VAL A 30 25.944 9.209 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.602 8.491 -3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 30 24.190 9.603 -4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 30 24.101 7.856 -5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 30 25.119 6.925 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 30 25.661 6.294 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 30 26.854 6.895 -2.906 1.00 0.00 H new ATOM 441 N GLY A 31 26.935 11.030 -5.293 1.00 0.00 N ATOM 442 CA GLY A 31 26.848 12.309 -5.979 1.00 0.00 C ATOM 443 C GLY A 31 27.533 12.269 -7.346 1.00 0.00 C ATOM 444 O GLY A 31 26.951 12.687 -8.345 1.00 0.00 O ATOM 0 H GLY A 31 27.290 11.101 -4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 31 25.801 12.583 -6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 31 27.308 13.083 -5.365 1.00 0.00 H new ATOM 448 N LEU A 32 28.764 11.754 -7.404 1.00 0.00 N ATOM 449 CA LEU A 32 29.508 11.635 -8.652 1.00 0.00 C ATOM 450 C LEU A 32 28.707 10.829 -9.666 1.00 0.00 C ATOM 451 O LEU A 32 28.432 11.290 -10.771 1.00 0.00 O ATOM 452 CB LEU A 32 30.861 10.969 -8.385 1.00 0.00 C ATOM 453 CG LEU A 32 31.766 10.852 -9.624 1.00 0.00 C ATOM 454 CD1 LEU A 32 32.098 12.218 -10.238 1.00 0.00 C ATOM 455 CD2 LEU A 32 33.067 10.148 -9.221 1.00 0.00 C ATOM 0 H LEU A 32 29.268 11.410 -6.587 1.00 0.00 H new ATOM 0 HA LEU A 32 29.680 12.630 -9.063 1.00 0.00 H new ATOM 0 HB2 LEU A 32 31.387 11.537 -7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 32 30.688 9.972 -7.981 1.00 0.00 H new ATOM 0 HG LEU A 32 31.227 10.279 -10.378 1.00 0.00 H new ATOM 0 HD11 LEU A 32 32.739 12.079 -11.109 1.00 0.00 H new ATOM 0 HD12 LEU A 32 31.176 12.714 -10.541 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.615 12.832 -9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.717 10.059 -10.091 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.571 10.729 -8.449 1.00 0.00 H new ATOM 0 HD23 LEU A 32 32.839 9.154 -8.836 1.00 0.00 H new ATOM 467 N ALA A 33 28.346 9.608 -9.283 1.00 0.00 N ATOM 468 CA ALA A 33 27.638 8.681 -10.157 1.00 0.00 C ATOM 469 C ALA A 33 26.284 9.249 -10.620 1.00 0.00 C ATOM 470 O ALA A 33 25.967 9.211 -11.808 1.00 0.00 O ATOM 471 CB ALA A 33 27.526 7.327 -9.453 1.00 0.00 C ATOM 0 H ALA A 33 28.537 9.233 -8.354 1.00 0.00 H new ATOM 0 HA ALA A 33 28.204 8.535 -11.077 1.00 0.00 H new ATOM 0 HB1 ALA A 33 26.998 6.624 -10.097 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.524 6.944 -9.240 1.00 0.00 H new ATOM 0 HB3 ALA A 33 26.976 7.447 -8.519 1.00 0.00 H new ATOM 477 N MET A 34 25.495 9.810 -9.700 1.00 0.00 N ATOM 478 CA MET A 34 24.281 10.575 -9.990 1.00 0.00 C ATOM 479 C MET A 34 24.593 11.646 -11.034 1.00 0.00 C ATOM 480 O MET A 34 23.863 11.784 -12.011 1.00 0.00 O ATOM 481 CB MET A 34 23.768 11.218 -8.694 1.00 0.00 C ATOM 482 CG MET A 34 23.347 10.166 -7.652 1.00 0.00 C ATOM 483 SD MET A 34 21.582 9.912 -7.369 1.00 0.00 S ATOM 484 CE MET A 34 21.029 9.656 -9.058 1.00 0.00 C ATOM 0 H MET A 34 25.690 9.742 -8.701 1.00 0.00 H new ATOM 0 HA MET A 34 23.509 9.916 -10.386 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.547 11.854 -8.272 1.00 0.00 H new ATOM 0 HB3 MET A 34 22.919 11.862 -8.921 1.00 0.00 H new ATOM 0 HG2 MET A 34 23.778 9.210 -7.949 1.00 0.00 H new ATOM 0 HG3 MET A 34 23.802 10.439 -6.700 1.00 0.00 H new ATOM 0 HE1 MET A 34 19.948 9.519 -9.070 1.00 0.00 H new ATOM 0 HE2 MET A 34 21.291 10.524 -9.662 1.00 0.00 H new ATOM 0 HE3 MET A 34 21.512 8.769 -9.469 1.00 0.00 H new ATOM 494 N GLY A 35 25.690 12.380 -10.835 1.00 0.00 N ATOM 495 CA GLY A 35 26.267 13.295 -11.806 1.00 0.00 C ATOM 496 C GLY A 35 26.420 12.657 -13.183 1.00 0.00 C ATOM 497 O GLY A 35 25.869 13.163 -14.158 1.00 0.00 O ATOM 0 H GLY A 35 26.215 12.348 -9.961 1.00 0.00 H new ATOM 0 HA2 GLY A 35 25.637 14.181 -11.886 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.242 13.629 -11.452 1.00 0.00 H new ATOM 501 N LYS A 36 27.179 11.563 -13.264 1.00 0.00 N ATOM 502 CA LYS A 36 27.448 10.883 -14.523 1.00 0.00 C ATOM 503 C LYS A 36 26.151 10.479 -15.228 1.00 0.00 C ATOM 504 O LYS A 36 26.014 10.700 -16.429 1.00 0.00 O ATOM 505 CB LYS A 36 28.353 9.659 -14.305 1.00 0.00 C ATOM 506 CG LYS A 36 29.743 9.988 -13.736 1.00 0.00 C ATOM 507 CD LYS A 36 30.558 10.999 -14.557 1.00 0.00 C ATOM 508 CE LYS A 36 30.747 10.554 -16.013 1.00 0.00 C ATOM 509 NZ LYS A 36 31.640 11.472 -16.741 1.00 0.00 N ATOM 0 H LYS A 36 27.623 11.127 -12.456 1.00 0.00 H new ATOM 0 HA LYS A 36 27.974 11.585 -15.170 1.00 0.00 H new ATOM 0 HB2 LYS A 36 27.851 8.968 -13.628 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.477 9.140 -15.256 1.00 0.00 H new ATOM 0 HG2 LYS A 36 29.622 10.377 -12.725 1.00 0.00 H new ATOM 0 HG3 LYS A 36 30.314 9.063 -13.656 1.00 0.00 H new ATOM 0 HD2 LYS A 36 30.056 11.967 -14.538 1.00 0.00 H new ATOM 0 HD3 LYS A 36 31.534 11.137 -14.093 1.00 0.00 H new ATOM 0 HE2 LYS A 36 31.161 9.546 -16.037 1.00 0.00 H new ATOM 0 HE3 LYS A 36 29.779 10.513 -16.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 31.749 11.145 -17.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 31.232 12.429 -16.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 32.571 11.491 -16.278 1.00 0.00 H new ATOM 523 N LEU A 37 25.213 9.861 -14.504 1.00 0.00 N ATOM 524 CA LEU A 37 23.989 9.370 -15.123 1.00 0.00 C ATOM 525 C LEU A 37 23.032 10.508 -15.483 1.00 0.00 C ATOM 526 O LEU A 37 22.509 10.536 -16.594 1.00 0.00 O ATOM 527 CB LEU A 37 23.283 8.339 -14.228 1.00 0.00 C ATOM 528 CG LEU A 37 24.126 7.104 -13.872 1.00 0.00 C ATOM 529 CD1 LEU A 37 23.218 6.067 -13.202 1.00 0.00 C ATOM 530 CD2 LEU A 37 24.799 6.461 -15.091 1.00 0.00 C ATOM 0 H LEU A 37 25.280 9.692 -13.500 1.00 0.00 H new ATOM 0 HA LEU A 37 24.283 8.878 -16.050 1.00 0.00 H new ATOM 0 HB2 LEU A 37 22.977 8.830 -13.304 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.373 8.008 -14.729 1.00 0.00 H new ATOM 0 HG LEU A 37 24.921 7.435 -13.204 1.00 0.00 H new ATOM 0 HD11 LEU A 37 23.803 5.184 -12.943 1.00 0.00 H new ATOM 0 HD12 LEU A 37 22.785 6.493 -12.297 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.420 5.785 -13.888 1.00 0.00 H new ATOM 0 HD21 LEU A 37 25.379 5.595 -14.772 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.037 6.145 -15.803 1.00 0.00 H new ATOM 0 HD23 LEU A 37 25.461 7.186 -15.566 1.00 0.00 H new ATOM 542 N TYR A 38 22.752 11.402 -14.529 1.00 0.00 N ATOM 543 CA TYR A 38 21.692 12.402 -14.634 1.00 0.00 C ATOM 544 C TYR A 38 22.214 13.820 -14.383 1.00 0.00 C ATOM 545 O TYR A 38 22.045 14.707 -15.214 1.00 0.00 O ATOM 546 CB TYR A 38 20.576 12.075 -13.624 1.00 0.00 C ATOM 547 CG TYR A 38 20.154 10.620 -13.505 1.00 0.00 C ATOM 548 CD1 TYR A 38 19.899 9.841 -14.649 1.00 0.00 C ATOM 549 CD2 TYR A 38 19.887 10.085 -12.232 1.00 0.00 C ATOM 550 CE1 TYR A 38 19.461 8.514 -14.508 1.00 0.00 C ATOM 551 CE2 TYR A 38 19.269 8.828 -12.102 1.00 0.00 C ATOM 552 CZ TYR A 38 19.145 8.008 -13.237 1.00 0.00 C ATOM 553 OH TYR A 38 18.674 6.737 -13.128 1.00 0.00 O ATOM 0 H TYR A 38 23.266 11.449 -13.649 1.00 0.00 H new ATOM 0 HA TYR A 38 21.302 12.369 -15.651 1.00 0.00 H new ATOM 0 HB2 TYR A 38 20.900 12.415 -12.640 1.00 0.00 H new ATOM 0 HB3 TYR A 38 19.697 12.662 -13.890 1.00 0.00 H new ATOM 0 HD1 TYR A 38 20.040 10.263 -15.633 1.00 0.00 H new ATOM 0 HD2 TYR A 38 20.158 10.643 -11.348 1.00 0.00 H new ATOM 0 HE1 TYR A 38 19.367 7.882 -15.379 1.00 0.00 H new ATOM 0 HE2 TYR A 38 18.895 8.498 -11.144 1.00 0.00 H new ATOM 0 HH TYR A 38 18.367 6.579 -12.211 1.00 0.00 H new ATOM 563 N GLY A 39 22.785 14.045 -13.198 1.00 0.00 N ATOM 564 CA GLY A 39 23.140 15.354 -12.680 1.00 0.00 C ATOM 565 C GLY A 39 23.252 15.255 -11.160 1.00 0.00 C ATOM 566 O GLY A 39 22.418 14.618 -10.512 1.00 0.00 O ATOM 0 H GLY A 39 23.019 13.289 -12.555 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.084 15.689 -13.109 1.00 0.00 H new ATOM 0 HA3 GLY A 39 22.385 16.090 -12.958 1.00 0.00 H new ATOM 570 N ASN A 40 24.302 15.837 -10.573 1.00 0.00 N ATOM 571 CA ASN A 40 24.602 15.633 -9.165 1.00 0.00 C ATOM 572 C ASN A 40 23.756 16.561 -8.304 1.00 0.00 C ATOM 573 O ASN A 40 24.258 17.517 -7.716 1.00 0.00 O ATOM 574 CB ASN A 40 26.093 15.793 -8.847 1.00 0.00 C ATOM 575 CG ASN A 40 26.364 15.487 -7.369 1.00 0.00 C ATOM 576 OD1 ASN A 40 25.470 15.088 -6.621 1.00 0.00 O ATOM 577 ND2 ASN A 40 27.607 15.659 -6.928 1.00 0.00 N ATOM 0 H ASN A 40 24.955 16.453 -11.057 1.00 0.00 H new ATOM 0 HA ASN A 40 24.347 14.600 -8.929 1.00 0.00 H new ATOM 0 HB2 ASN A 40 26.679 15.123 -9.476 1.00 0.00 H new ATOM 0 HB3 ASN A 40 26.413 16.809 -9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 40 27.835 15.460 -5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 40 28.332 15.990 -7.564 1.00 0.00 H new ATOM 584 N ASP A 41 22.474 16.232 -8.202 1.00 0.00 N ATOM 585 CA ASP A 41 21.576 16.839 -7.226 1.00 0.00 C ATOM 586 C ASP A 41 21.532 15.967 -5.967 1.00 0.00 C ATOM 587 O ASP A 41 20.534 15.964 -5.253 1.00 0.00 O ATOM 588 CB ASP A 41 20.198 17.070 -7.868 1.00 0.00 C ATOM 589 CG ASP A 41 19.204 17.759 -6.935 1.00 0.00 C ATOM 590 OD1 ASP A 41 19.610 18.757 -6.302 1.00 0.00 O ATOM 591 OD2 ASP A 41 18.049 17.280 -6.882 1.00 0.00 O ATOM 0 H ASP A 41 22.026 15.534 -8.796 1.00 0.00 H new ATOM 0 HA ASP A 41 21.939 17.819 -6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.321 17.674 -8.767 1.00 0.00 H new ATOM 0 HB3 ASP A 41 19.786 16.111 -8.182 1.00 0.00 H new ATOM 596 N PHE A 42 22.609 15.221 -5.681 1.00 0.00 N ATOM 597 CA PHE A 42 22.597 14.164 -4.676 1.00 0.00 C ATOM 598 C PHE A 42 23.965 14.043 -4.016 1.00 0.00 C ATOM 599 O PHE A 42 24.486 12.943 -3.852 1.00 0.00 O ATOM 600 CB PHE A 42 22.192 12.852 -5.360 1.00 0.00 C ATOM 601 CG PHE A 42 20.883 12.949 -6.123 1.00 0.00 C ATOM 602 CD1 PHE A 42 19.659 12.931 -5.429 1.00 0.00 C ATOM 603 CD2 PHE A 42 20.896 13.304 -7.485 1.00 0.00 C ATOM 604 CE1 PHE A 42 18.471 13.267 -6.095 1.00 0.00 C ATOM 605 CE2 PHE A 42 19.693 13.480 -8.185 1.00 0.00 C ATOM 606 CZ PHE A 42 18.477 13.489 -7.484 1.00 0.00 C ATOM 0 H PHE A 42 23.510 15.339 -6.144 1.00 0.00 H new ATOM 0 HA PHE A 42 21.879 14.399 -3.891 1.00 0.00 H new ATOM 0 HB2 PHE A 42 22.983 12.550 -6.047 1.00 0.00 H new ATOM 0 HB3 PHE A 42 22.108 12.069 -4.606 1.00 0.00 H new ATOM 0 HD1 PHE A 42 19.634 12.659 -4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 42 21.838 13.442 -7.995 1.00 0.00 H new ATOM 0 HE1 PHE A 42 17.549 13.356 -5.540 1.00 0.00 H new ATOM 0 HE2 PHE A 42 19.702 13.608 -9.257 1.00 0.00 H new ATOM 0 HZ PHE A 42 17.550 13.666 -8.009 1.00 0.00 H new ATOM 616 N SER A 43 24.528 15.184 -3.619 1.00 0.00 N ATOM 617 CA SER A 43 25.777 15.258 -2.889 1.00 0.00 C ATOM 618 C SER A 43 25.633 14.498 -1.570 1.00 0.00 C ATOM 619 O SER A 43 26.367 13.555 -1.295 1.00 0.00 O ATOM 620 CB SER A 43 26.063 16.741 -2.639 1.00 0.00 C ATOM 621 OG SER A 43 24.872 17.365 -2.179 1.00 0.00 O ATOM 0 H SER A 43 24.114 16.098 -3.804 1.00 0.00 H new ATOM 0 HA SER A 43 26.599 14.809 -3.446 1.00 0.00 H new ATOM 0 HB2 SER A 43 26.857 16.853 -1.901 1.00 0.00 H new ATOM 0 HB3 SER A 43 26.410 17.218 -3.556 1.00 0.00 H new ATOM 0 HG SER A 43 25.044 18.316 -2.014 1.00 0.00 H new ATOM 627 N GLN A 44 24.683 14.953 -0.756 1.00 0.00 N ATOM 628 CA GLN A 44 24.395 14.426 0.570 1.00 0.00 C ATOM 629 C GLN A 44 22.977 14.822 0.965 1.00 0.00 C ATOM 630 O GLN A 44 22.177 13.963 1.336 1.00 0.00 O ATOM 631 CB GLN A 44 25.445 14.961 1.562 1.00 0.00 C ATOM 632 CG GLN A 44 25.136 14.662 3.040 1.00 0.00 C ATOM 633 CD GLN A 44 24.220 15.707 3.681 1.00 0.00 C ATOM 634 OE1 GLN A 44 24.494 16.901 3.622 1.00 0.00 O ATOM 635 NE2 GLN A 44 23.114 15.287 4.285 1.00 0.00 N ATOM 0 H GLN A 44 24.072 15.728 -1.014 1.00 0.00 H new ATOM 0 HA GLN A 44 24.452 13.338 0.579 1.00 0.00 H new ATOM 0 HB2 GLN A 44 26.415 14.531 1.312 1.00 0.00 H new ATOM 0 HB3 GLN A 44 25.532 16.040 1.433 1.00 0.00 H new ATOM 0 HG2 GLN A 44 24.668 13.680 3.117 1.00 0.00 H new ATOM 0 HG3 GLN A 44 26.071 14.614 3.599 1.00 0.00 H new ATOM 0 HE21 GLN A 44 22.902 14.290 4.325 1.00 0.00 H new ATOM 0 HE22 GLN A 44 22.477 15.961 4.709 1.00 0.00 H new ATOM 644 N THR A 45 22.685 16.122 0.907 1.00 0.00 N ATOM 645 CA THR A 45 21.451 16.730 1.377 1.00 0.00 C ATOM 646 C THR A 45 20.233 15.972 0.854 1.00 0.00 C ATOM 647 O THR A 45 19.537 15.311 1.620 1.00 0.00 O ATOM 648 CB THR A 45 21.440 18.197 0.927 1.00 0.00 C ATOM 649 OG1 THR A 45 21.827 18.252 -0.434 1.00 0.00 O ATOM 650 CG2 THR A 45 22.425 19.031 1.752 1.00 0.00 C ATOM 0 H THR A 45 23.333 16.804 0.514 1.00 0.00 H new ATOM 0 HA THR A 45 21.401 16.683 2.465 1.00 0.00 H new ATOM 0 HB THR A 45 20.438 18.602 1.067 1.00 0.00 H new ATOM 0 HG1 THR A 45 21.823 19.184 -0.738 1.00 0.00 H new ATOM 0 HG21 THR A 45 22.398 20.067 1.413 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.147 18.986 2.805 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.432 18.634 1.626 1.00 0.00 H new ATOM 658 N THR A 46 19.983 16.067 -0.449 1.00 0.00 N ATOM 659 CA THR A 46 18.834 15.488 -1.127 1.00 0.00 C ATOM 660 C THR A 46 18.646 14.015 -0.748 1.00 0.00 C ATOM 661 O THR A 46 17.556 13.589 -0.373 1.00 0.00 O ATOM 662 CB THR A 46 19.050 15.675 -2.635 1.00 0.00 C ATOM 663 OG1 THR A 46 19.743 16.889 -2.852 1.00 0.00 O ATOM 664 CG2 THR A 46 17.743 15.706 -3.425 1.00 0.00 C ATOM 0 H THR A 46 20.602 16.570 -1.084 1.00 0.00 H new ATOM 0 HA THR A 46 17.916 15.989 -0.821 1.00 0.00 H new ATOM 0 HB THR A 46 19.624 14.818 -2.988 1.00 0.00 H new ATOM 0 HG1 THR A 46 20.183 16.863 -3.728 1.00 0.00 H new ATOM 0 HG21 THR A 46 17.961 15.841 -4.484 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.208 14.767 -3.281 1.00 0.00 H new ATOM 0 HG23 THR A 46 17.125 16.533 -3.074 1.00 0.00 H new ATOM 672 N ILE A 47 19.731 13.239 -0.824 1.00 0.00 N ATOM 673 CA ILE A 47 19.744 11.822 -0.487 1.00 0.00 C ATOM 674 C ILE A 47 19.340 11.614 0.975 1.00 0.00 C ATOM 675 O ILE A 47 18.481 10.784 1.268 1.00 0.00 O ATOM 676 CB ILE A 47 21.131 11.242 -0.835 1.00 0.00 C ATOM 677 CG1 ILE A 47 21.318 11.128 -2.352 1.00 0.00 C ATOM 678 CG2 ILE A 47 21.437 9.912 -0.138 1.00 0.00 C ATOM 679 CD1 ILE A 47 20.369 10.168 -3.079 1.00 0.00 C ATOM 0 H ILE A 47 20.639 13.590 -1.128 1.00 0.00 H new ATOM 0 HA ILE A 47 19.005 11.278 -1.075 1.00 0.00 H new ATOM 0 HB ILE A 47 21.858 11.955 -0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.202 12.120 -2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.342 10.812 -2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.428 9.567 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.407 10.052 0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.694 9.170 -0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.595 10.171 -4.145 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.497 9.160 -2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.339 10.489 -2.926 1.00 0.00 H new ATOM 691 N SER A 48 19.930 12.379 1.892 1.00 0.00 N ATOM 692 CA SER A 48 19.627 12.267 3.310 1.00 0.00 C ATOM 693 C SER A 48 18.157 12.612 3.573 1.00 0.00 C ATOM 694 O SER A 48 17.452 11.873 4.255 1.00 0.00 O ATOM 695 CB SER A 48 20.572 13.165 4.111 1.00 0.00 C ATOM 696 OG SER A 48 21.916 12.837 3.809 1.00 0.00 O ATOM 0 H SER A 48 20.628 13.089 1.670 1.00 0.00 H new ATOM 0 HA SER A 48 19.781 11.238 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.381 14.212 3.874 1.00 0.00 H new ATOM 0 HB3 SER A 48 20.389 13.041 5.178 1.00 0.00 H new ATOM 0 HG SER A 48 22.177 13.269 2.969 1.00 0.00 H new ATOM 702 N ARG A 49 17.684 13.730 3.019 1.00 0.00 N ATOM 703 CA ARG A 49 16.302 14.164 3.152 1.00 0.00 C ATOM 704 C ARG A 49 15.345 13.138 2.538 1.00 0.00 C ATOM 705 O ARG A 49 14.264 12.927 3.079 1.00 0.00 O ATOM 706 CB ARG A 49 16.113 15.558 2.537 1.00 0.00 C ATOM 707 CG ARG A 49 16.325 16.723 3.519 1.00 0.00 C ATOM 708 CD ARG A 49 17.762 16.928 4.020 1.00 0.00 C ATOM 709 NE ARG A 49 18.150 15.931 5.026 1.00 0.00 N ATOM 710 CZ ARG A 49 19.244 16.003 5.797 1.00 0.00 C ATOM 711 NH1 ARG A 49 20.135 16.986 5.620 1.00 0.00 N ATOM 712 NH2 ARG A 49 19.437 15.087 6.750 1.00 0.00 N ATOM 0 H ARG A 49 18.259 14.362 2.461 1.00 0.00 H new ATOM 0 HA ARG A 49 16.062 14.236 4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 49 16.807 15.671 1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.106 15.626 2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 49 15.995 17.643 3.037 1.00 0.00 H new ATOM 0 HG3 ARG A 49 15.679 16.566 4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 49 18.450 16.875 3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 49 17.857 17.927 4.446 1.00 0.00 H new ATOM 0 HE ARG A 49 17.541 15.122 5.147 1.00 0.00 H new ATOM 0 HH11 ARG A 49 19.984 17.687 4.895 1.00 0.00 H new ATOM 0 HH12 ARG A 49 20.965 17.034 6.211 1.00 0.00 H new ATOM 0 HH21 ARG A 49 18.755 14.341 6.886 1.00 0.00 H new ATOM 0 HH22 ARG A 49 20.267 15.134 7.342 1.00 0.00 H new ATOM 726 N PHE A 50 15.718 12.499 1.426 1.00 0.00 N ATOM 727 CA PHE A 50 14.931 11.427 0.833 1.00 0.00 C ATOM 728 C PHE A 50 14.845 10.237 1.780 1.00 0.00 C ATOM 729 O PHE A 50 13.765 9.744 2.085 1.00 0.00 O ATOM 730 CB PHE A 50 15.571 10.976 -0.479 1.00 0.00 C ATOM 731 CG PHE A 50 14.832 9.848 -1.175 1.00 0.00 C ATOM 732 CD1 PHE A 50 13.450 9.954 -1.429 1.00 0.00 C ATOM 733 CD2 PHE A 50 15.514 8.666 -1.516 1.00 0.00 C ATOM 734 CE1 PHE A 50 12.766 8.903 -2.062 1.00 0.00 C ATOM 735 CE2 PHE A 50 14.831 7.615 -2.150 1.00 0.00 C ATOM 736 CZ PHE A 50 13.464 7.748 -2.453 1.00 0.00 C ATOM 0 H PHE A 50 16.575 12.714 0.915 1.00 0.00 H new ATOM 0 HA PHE A 50 13.927 11.805 0.644 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.628 11.829 -1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.594 10.657 -0.281 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.915 10.846 -1.136 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.565 8.566 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.705 8.983 -2.248 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.355 6.706 -2.405 1.00 0.00 H new ATOM 0 HZ PHE A 50 12.951 6.962 -2.987 1.00 0.00 H new ATOM 746 N GLU A 51 16.001 9.778 2.248 1.00 0.00 N ATOM 747 CA GLU A 51 16.108 8.683 3.210 1.00 0.00 C ATOM 748 C GLU A 51 15.351 8.982 4.511 1.00 0.00 C ATOM 749 O GLU A 51 14.794 8.070 5.117 1.00 0.00 O ATOM 750 CB GLU A 51 17.583 8.369 3.455 1.00 0.00 C ATOM 751 CG GLU A 51 18.171 7.657 2.223 1.00 0.00 C ATOM 752 CD GLU A 51 19.698 7.713 2.172 1.00 0.00 C ATOM 753 OE1 GLU A 51 20.293 8.383 3.045 1.00 0.00 O ATOM 754 OE2 GLU A 51 20.253 7.072 1.254 1.00 0.00 O ATOM 0 H GLU A 51 16.904 10.161 1.967 1.00 0.00 H new ATOM 0 HA GLU A 51 15.630 7.798 2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.133 9.289 3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.689 7.738 4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.851 6.615 2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.766 8.113 1.319 1.00 0.00 H new ATOM 761 N ALA A 52 15.302 10.251 4.925 1.00 0.00 N ATOM 762 CA ALA A 52 14.488 10.715 6.044 1.00 0.00 C ATOM 763 C ALA A 52 13.060 11.091 5.613 1.00 0.00 C ATOM 764 O ALA A 52 12.326 11.684 6.400 1.00 0.00 O ATOM 765 CB ALA A 52 15.188 11.909 6.700 1.00 0.00 C ATOM 0 H ALA A 52 15.838 10.996 4.481 1.00 0.00 H new ATOM 0 HA ALA A 52 14.388 9.899 6.759 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.590 12.266 7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.170 11.602 7.060 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.303 12.710 5.969 1.00 0.00 H new ATOM 771 N LEU A 53 12.677 10.791 4.367 1.00 0.00 N ATOM 772 CA LEU A 53 11.408 11.113 3.723 1.00 0.00 C ATOM 773 C LEU A 53 10.853 12.487 4.120 1.00 0.00 C ATOM 774 O LEU A 53 9.659 12.658 4.353 1.00 0.00 O ATOM 775 CB LEU A 53 10.417 9.944 3.887 1.00 0.00 C ATOM 776 CG LEU A 53 10.730 8.767 2.935 1.00 0.00 C ATOM 777 CD1 LEU A 53 11.643 7.742 3.616 1.00 0.00 C ATOM 778 CD2 LEU A 53 9.434 8.053 2.526 1.00 0.00 C ATOM 0 H LEU A 53 13.296 10.278 3.739 1.00 0.00 H new ATOM 0 HA LEU A 53 11.587 11.224 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.444 9.591 4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.404 10.301 3.698 1.00 0.00 H new ATOM 0 HG LEU A 53 11.228 9.179 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.849 6.923 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.580 8.221 3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.151 7.351 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.670 7.227 1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.935 7.668 3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.776 8.757 2.016 1.00 0.00 H new ATOM 790 N ASN A 54 11.738 13.486 4.128 1.00 0.00 N ATOM 791 CA ASN A 54 11.404 14.889 4.338 1.00 0.00 C ATOM 792 C ASN A 54 11.003 15.508 3.003 1.00 0.00 C ATOM 793 O ASN A 54 9.931 16.101 2.876 1.00 0.00 O ATOM 794 CB ASN A 54 12.604 15.630 4.947 1.00 0.00 C ATOM 795 CG ASN A 54 12.647 15.566 6.473 1.00 0.00 C ATOM 796 OD1 ASN A 54 12.823 16.588 7.125 1.00 0.00 O ATOM 797 ND2 ASN A 54 12.499 14.388 7.071 1.00 0.00 N ATOM 0 H ASN A 54 12.736 13.332 3.984 1.00 0.00 H new ATOM 0 HA ASN A 54 10.569 14.972 5.034 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.525 15.205 4.547 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.573 16.674 4.635 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.531 14.325 8.089 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.353 13.547 6.512 1.00 0.00 H new ATOM 804 N LEU A 55 11.872 15.355 1.998 1.00 0.00 N ATOM 805 CA LEU A 55 11.578 15.774 0.631 1.00 0.00 C ATOM 806 C LEU A 55 10.377 14.966 0.157 1.00 0.00 C ATOM 807 O LEU A 55 10.524 13.795 -0.172 1.00 0.00 O ATOM 808 CB LEU A 55 12.782 15.546 -0.293 1.00 0.00 C ATOM 809 CG LEU A 55 13.748 16.737 -0.327 1.00 0.00 C ATOM 810 CD1 LEU A 55 15.056 16.289 -0.987 1.00 0.00 C ATOM 811 CD2 LEU A 55 13.182 17.920 -1.126 1.00 0.00 C ATOM 0 H LEU A 55 12.796 14.938 2.113 1.00 0.00 H new ATOM 0 HA LEU A 55 11.360 16.842 0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 55 13.321 14.658 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.425 15.347 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 55 13.908 17.067 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.753 17.126 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 55 15.494 15.474 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.853 15.948 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.901 18.739 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.993 17.608 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.249 18.254 -0.671 1.00 0.00 H new ATOM 823 N SER A 56 9.203 15.595 0.170 1.00 0.00 N ATOM 824 CA SER A 56 7.902 14.976 0.014 1.00 0.00 C ATOM 825 C SER A 56 7.636 14.405 -1.387 1.00 0.00 C ATOM 826 O SER A 56 8.480 14.493 -2.282 1.00 0.00 O ATOM 827 CB SER A 56 6.867 16.024 0.444 1.00 0.00 C ATOM 828 OG SER A 56 7.428 16.871 1.438 1.00 0.00 O ATOM 0 H SER A 56 9.138 16.605 0.297 1.00 0.00 H new ATOM 0 HA SER A 56 7.842 14.089 0.644 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.554 16.615 -0.417 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.976 15.531 0.833 1.00 0.00 H new ATOM 0 HG SER A 56 6.765 17.540 1.710 1.00 0.00 H new ATOM 834 N PHE A 57 6.439 13.827 -1.565 1.00 0.00 N ATOM 835 CA PHE A 57 6.035 13.033 -2.727 1.00 0.00 C ATOM 836 C PHE A 57 6.520 13.599 -4.064 1.00 0.00 C ATOM 837 O PHE A 57 7.061 12.867 -4.890 1.00 0.00 O ATOM 838 CB PHE A 57 4.514 12.828 -2.734 1.00 0.00 C ATOM 839 CG PHE A 57 4.069 11.747 -3.702 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.163 10.393 -3.325 1.00 0.00 C ATOM 841 CD2 PHE A 57 3.645 12.083 -5.002 1.00 0.00 C ATOM 842 CE1 PHE A 57 3.802 9.383 -4.232 1.00 0.00 C ATOM 843 CE2 PHE A 57 3.291 11.069 -5.910 1.00 0.00 C ATOM 844 CZ PHE A 57 3.365 9.719 -5.524 1.00 0.00 C ATOM 0 H PHE A 57 5.696 13.906 -0.871 1.00 0.00 H new ATOM 0 HA PHE A 57 6.529 12.067 -2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.183 12.567 -1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.027 13.767 -2.997 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.513 10.131 -2.337 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.592 13.119 -5.302 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.861 8.346 -3.935 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.962 11.328 -6.906 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.086 8.942 -6.220 1.00 0.00 H new ATOM 854 N LYS A 58 6.336 14.912 -4.251 1.00 0.00 N ATOM 855 CA LYS A 58 6.788 15.668 -5.413 1.00 0.00 C ATOM 856 C LYS A 58 8.195 15.263 -5.867 1.00 0.00 C ATOM 857 O LYS A 58 8.442 15.063 -7.054 1.00 0.00 O ATOM 858 CB LYS A 58 6.702 17.174 -5.106 1.00 0.00 C ATOM 859 CG LYS A 58 7.589 17.643 -3.933 1.00 0.00 C ATOM 860 CD LYS A 58 7.230 19.067 -3.480 1.00 0.00 C ATOM 861 CE LYS A 58 7.363 20.124 -4.585 1.00 0.00 C ATOM 862 NZ LYS A 58 8.721 20.157 -5.159 1.00 0.00 N ATOM 0 H LYS A 58 5.850 15.493 -3.569 1.00 0.00 H new ATOM 0 HA LYS A 58 6.129 15.434 -6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.982 17.730 -6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.665 17.427 -4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.476 16.956 -3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.636 17.610 -4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.206 19.072 -3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.874 19.345 -2.645 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.641 19.916 -5.374 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.117 21.105 -4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.786 20.929 -5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.415 20.314 -4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.921 19.251 -5.629 1.00 0.00 H new ATOM 876 N ASN A 59 9.116 15.148 -4.910 1.00 0.00 N ATOM 877 CA ASN A 59 10.476 14.703 -5.151 1.00 0.00 C ATOM 878 C ASN A 59 10.483 13.188 -5.277 1.00 0.00 C ATOM 879 O ASN A 59 10.913 12.641 -6.291 1.00 0.00 O ATOM 880 CB ASN A 59 11.352 15.130 -3.971 1.00 0.00 C ATOM 881 CG ASN A 59 12.777 14.608 -4.105 1.00 0.00 C ATOM 882 OD1 ASN A 59 13.216 13.791 -3.305 1.00 0.00 O ATOM 883 ND2 ASN A 59 13.516 15.074 -5.107 1.00 0.00 N ATOM 0 H ASN A 59 8.928 15.367 -3.932 1.00 0.00 H new ATOM 0 HA ASN A 59 10.863 15.145 -6.069 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.368 16.218 -3.906 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.916 14.761 -3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.476 14.751 -5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.123 15.754 -5.758 1.00 0.00 H new ATOM 890 N MET A 60 10.012 12.531 -4.215 1.00 0.00 N ATOM 891 CA MET A 60 10.102 11.088 -4.022 1.00 0.00 C ATOM 892 C MET A 60 9.733 10.317 -5.282 1.00 0.00 C ATOM 893 O MET A 60 10.435 9.395 -5.681 1.00 0.00 O ATOM 894 CB MET A 60 9.142 10.620 -2.929 1.00 0.00 C ATOM 895 CG MET A 60 9.407 11.204 -1.549 1.00 0.00 C ATOM 896 SD MET A 60 8.078 10.869 -0.371 1.00 0.00 S ATOM 897 CE MET A 60 8.915 11.301 1.156 1.00 0.00 C ATOM 0 H MET A 60 9.544 13.006 -3.444 1.00 0.00 H new ATOM 0 HA MET A 60 11.139 10.891 -3.750 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.125 10.875 -3.226 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.192 9.533 -2.863 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.340 10.795 -1.161 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.543 12.282 -1.637 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.307 10.989 2.005 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.881 10.797 1.197 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.066 12.380 1.195 1.00 0.00 H new ATOM 907 N CYS A 61 8.592 10.661 -5.872 1.00 0.00 N ATOM 908 CA CYS A 61 8.009 9.877 -6.949 1.00 0.00 C ATOM 909 C CYS A 61 8.881 9.906 -8.202 1.00 0.00 C ATOM 910 O CYS A 61 9.037 8.891 -8.876 1.00 0.00 O ATOM 911 CB CYS A 61 6.593 10.386 -7.221 1.00 0.00 C ATOM 912 SG CYS A 61 5.802 9.350 -8.473 1.00 0.00 S ATOM 0 H CYS A 61 8.050 11.487 -5.617 1.00 0.00 H new ATOM 0 HA CYS A 61 7.955 8.831 -6.646 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.008 10.372 -6.301 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.627 11.421 -7.561 1.00 0.00 H new ATOM 0 HG CYS A 61 4.598 9.785 -8.699 1.00 0.00 H new ATOM 917 N LYS A 62 9.504 11.053 -8.487 1.00 0.00 N ATOM 918 CA LYS A 62 10.480 11.159 -9.563 1.00 0.00 C ATOM 919 C LYS A 62 11.787 10.482 -9.142 1.00 0.00 C ATOM 920 O LYS A 62 12.423 9.773 -9.920 1.00 0.00 O ATOM 921 CB LYS A 62 10.722 12.635 -9.903 1.00 0.00 C ATOM 922 CG LYS A 62 9.416 13.352 -10.276 1.00 0.00 C ATOM 923 CD LYS A 62 9.674 14.711 -10.940 1.00 0.00 C ATOM 924 CE LYS A 62 10.417 15.679 -10.011 1.00 0.00 C ATOM 925 NZ LYS A 62 10.543 17.015 -10.620 1.00 0.00 N ATOM 0 H LYS A 62 9.345 11.924 -7.981 1.00 0.00 H new ATOM 0 HA LYS A 62 10.097 10.657 -10.452 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.181 13.135 -9.050 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.427 12.707 -10.732 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.838 12.722 -10.952 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.813 13.495 -9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.257 14.564 -11.850 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.724 15.154 -11.238 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.884 15.758 -9.063 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.408 15.284 -9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.050 17.647 -9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.072 16.941 -11.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.596 17.401 -10.810 1.00 0.00 H new ATOM 939 N LEU A 63 12.202 10.724 -7.900 1.00 0.00 N ATOM 940 CA LEU A 63 13.488 10.303 -7.382 1.00 0.00 C ATOM 941 C LEU A 63 13.612 8.779 -7.325 1.00 0.00 C ATOM 942 O LEU A 63 14.631 8.231 -7.739 1.00 0.00 O ATOM 943 CB LEU A 63 13.686 10.954 -6.010 1.00 0.00 C ATOM 944 CG LEU A 63 15.020 10.638 -5.326 1.00 0.00 C ATOM 945 CD1 LEU A 63 16.188 10.943 -6.269 1.00 0.00 C ATOM 946 CD2 LEU A 63 15.184 11.511 -4.082 1.00 0.00 C ATOM 0 H LEU A 63 11.637 11.229 -7.217 1.00 0.00 H new ATOM 0 HA LEU A 63 14.280 10.631 -8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.600 12.035 -6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.875 10.637 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 63 15.021 9.582 -5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 63 17.129 10.713 -5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 63 16.098 10.335 -7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.170 11.998 -6.541 1.00 0.00 H new ATOM 0 HD21 LEU A 63 16.134 11.282 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.167 12.562 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.368 11.312 -3.388 1.00 0.00 H new ATOM 958 N LYS A 64 12.598 8.079 -6.810 1.00 0.00 N ATOM 959 CA LYS A 64 12.664 6.641 -6.591 1.00 0.00 C ATOM 960 C LYS A 64 13.095 5.863 -7.844 1.00 0.00 C ATOM 961 O LYS A 64 14.091 5.145 -7.764 1.00 0.00 O ATOM 962 CB LYS A 64 11.367 6.133 -5.949 1.00 0.00 C ATOM 963 CG LYS A 64 11.404 4.619 -5.663 1.00 0.00 C ATOM 964 CD LYS A 64 10.507 3.798 -6.598 1.00 0.00 C ATOM 965 CE LYS A 64 9.019 3.971 -6.260 1.00 0.00 C ATOM 966 NZ LYS A 64 8.173 3.113 -7.110 1.00 0.00 N ATOM 0 H LYS A 64 11.710 8.498 -6.535 1.00 0.00 H new ATOM 0 HA LYS A 64 13.462 6.445 -5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.191 6.671 -5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.528 6.355 -6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.431 4.265 -5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.097 4.444 -4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.683 4.102 -7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.776 2.744 -6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.851 3.726 -5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.733 5.014 -6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.291 2.888 -6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.949 3.613 -7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.681 2.232 -7.329 1.00 0.00 H new ATOM 980 N PRO A 65 12.417 5.971 -8.999 1.00 0.00 N ATOM 981 CA PRO A 65 12.851 5.276 -10.202 1.00 0.00 C ATOM 982 C PRO A 65 14.260 5.703 -10.630 1.00 0.00 C ATOM 983 O PRO A 65 15.030 4.862 -11.091 1.00 0.00 O ATOM 984 CB PRO A 65 11.790 5.561 -11.271 1.00 0.00 C ATOM 985 CG PRO A 65 11.129 6.851 -10.790 1.00 0.00 C ATOM 986 CD PRO A 65 11.210 6.735 -9.267 1.00 0.00 C ATOM 0 HA PRO A 65 12.932 4.203 -10.031 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.238 5.684 -12.257 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.070 4.746 -11.348 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.654 7.734 -11.156 1.00 0.00 H new ATOM 0 HG3 PRO A 65 10.098 6.928 -11.134 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.257 7.719 -8.800 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.330 6.233 -8.864 1.00 0.00 H new ATOM 994 N LEU A 66 14.621 6.983 -10.467 1.00 0.00 N ATOM 995 CA LEU A 66 15.940 7.471 -10.863 1.00 0.00 C ATOM 996 C LEU A 66 16.965 6.691 -10.031 1.00 0.00 C ATOM 997 O LEU A 66 17.909 6.117 -10.573 1.00 0.00 O ATOM 998 CB LEU A 66 16.081 8.975 -10.555 1.00 0.00 C ATOM 999 CG LEU A 66 16.146 9.878 -11.790 1.00 0.00 C ATOM 1000 CD1 LEU A 66 14.775 9.947 -12.472 1.00 0.00 C ATOM 1001 CD2 LEU A 66 16.585 11.292 -11.390 1.00 0.00 C ATOM 0 H LEU A 66 14.014 7.696 -10.063 1.00 0.00 H new ATOM 0 HA LEU A 66 16.091 7.331 -11.933 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.238 9.286 -9.938 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.983 9.128 -9.962 1.00 0.00 H new ATOM 0 HG LEU A 66 16.872 9.457 -12.485 1.00 0.00 H new ATOM 0 HD11 LEU A 66 14.837 10.592 -13.348 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.471 8.946 -12.779 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.042 10.351 -11.774 1.00 0.00 H new ATOM 0 HD21 LEU A 66 16.627 11.924 -12.277 1.00 0.00 H new ATOM 0 HD22 LEU A 66 15.869 11.708 -10.681 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.571 11.250 -10.927 1.00 0.00 H new ATOM 1013 N LEU A 67 16.782 6.676 -8.709 1.00 0.00 N ATOM 1014 CA LEU A 67 17.662 5.982 -7.791 1.00 0.00 C ATOM 1015 C LEU A 67 17.652 4.476 -8.043 1.00 0.00 C ATOM 1016 O LEU A 67 18.694 3.839 -7.948 1.00 0.00 O ATOM 1017 CB LEU A 67 17.264 6.282 -6.346 1.00 0.00 C ATOM 1018 CG LEU A 67 17.497 7.728 -5.883 1.00 0.00 C ATOM 1019 CD1 LEU A 67 17.623 7.773 -4.361 1.00 0.00 C ATOM 1020 CD2 LEU A 67 18.725 8.406 -6.494 1.00 0.00 C ATOM 0 H LEU A 67 16.007 7.154 -8.249 1.00 0.00 H new ATOM 0 HA LEU A 67 18.676 6.343 -7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.207 6.045 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.820 5.614 -5.688 1.00 0.00 H new ATOM 0 HG LEU A 67 16.627 8.284 -6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 67 17.788 8.801 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.706 7.394 -3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.465 7.155 -4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 67 18.809 9.422 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.620 7.843 -6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 67 18.622 8.436 -7.579 1.00 0.00 H new ATOM 1032 N GLU A 68 16.491 3.897 -8.351 1.00 0.00 N ATOM 1033 CA GLU A 68 16.384 2.481 -8.671 1.00 0.00 C ATOM 1034 C GLU A 68 17.276 2.171 -9.875 1.00 0.00 C ATOM 1035 O GLU A 68 18.111 1.268 -9.821 1.00 0.00 O ATOM 1036 CB GLU A 68 14.913 2.119 -8.931 1.00 0.00 C ATOM 1037 CG GLU A 68 14.677 0.609 -9.067 1.00 0.00 C ATOM 1038 CD GLU A 68 14.845 -0.120 -7.737 1.00 0.00 C ATOM 1039 OE1 GLU A 68 13.840 -0.185 -6.995 1.00 0.00 O ATOM 1040 OE2 GLU A 68 15.976 -0.585 -7.478 1.00 0.00 O ATOM 0 H GLU A 68 15.603 4.398 -8.385 1.00 0.00 H new ATOM 0 HA GLU A 68 16.726 1.873 -7.834 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.301 2.504 -8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.579 2.616 -9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.673 0.433 -9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.375 0.198 -9.796 1.00 0.00 H new ATOM 1047 N LYS A 69 17.121 2.936 -10.960 1.00 0.00 N ATOM 1048 CA LYS A 69 17.920 2.728 -12.155 1.00 0.00 C ATOM 1049 C LYS A 69 19.401 2.996 -11.862 1.00 0.00 C ATOM 1050 O LYS A 69 20.261 2.246 -12.319 1.00 0.00 O ATOM 1051 CB LYS A 69 17.370 3.559 -13.322 1.00 0.00 C ATOM 1052 CG LYS A 69 18.197 3.426 -14.613 1.00 0.00 C ATOM 1053 CD LYS A 69 18.309 1.967 -15.086 1.00 0.00 C ATOM 1054 CE LYS A 69 19.140 1.854 -16.366 1.00 0.00 C ATOM 1055 NZ LYS A 69 19.279 0.444 -16.774 1.00 0.00 N ATOM 0 H LYS A 69 16.450 3.701 -11.028 1.00 0.00 H new ATOM 0 HA LYS A 69 17.850 1.685 -12.463 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.344 3.252 -13.524 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.337 4.608 -13.027 1.00 0.00 H new ATOM 0 HG2 LYS A 69 17.739 4.026 -15.399 1.00 0.00 H new ATOM 0 HG3 LYS A 69 19.196 3.829 -14.445 1.00 0.00 H new ATOM 0 HD2 LYS A 69 18.764 1.363 -14.301 1.00 0.00 H new ATOM 0 HD3 LYS A 69 17.312 1.563 -15.261 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.666 2.424 -17.165 1.00 0.00 H new ATOM 0 HE3 LYS A 69 20.126 2.290 -16.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 20.072 0.352 -17.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 19.461 -0.144 -15.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.402 0.128 -17.234 1.00 0.00 H new ATOM 1069 N TRP A 70 19.708 4.031 -11.075 1.00 0.00 N ATOM 1070 CA TRP A 70 21.066 4.268 -10.599 1.00 0.00 C ATOM 1071 C TRP A 70 21.602 3.014 -9.909 1.00 0.00 C ATOM 1072 O TRP A 70 22.727 2.598 -10.172 1.00 0.00 O ATOM 1073 CB TRP A 70 21.112 5.486 -9.664 1.00 0.00 C ATOM 1074 CG TRP A 70 22.442 5.777 -9.034 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.337 6.690 -9.468 1.00 0.00 C ATOM 1076 CD2 TRP A 70 23.053 5.157 -7.859 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.457 6.654 -8.669 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.356 5.702 -7.678 1.00 0.00 C ATOM 1079 CE3 TRP A 70 22.635 4.189 -6.925 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.215 5.269 -6.653 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 23.465 3.780 -5.867 1.00 0.00 C ATOM 1082 CH2 TRP A 70 24.755 4.315 -5.733 1.00 0.00 C ATOM 0 H TRP A 70 19.027 4.720 -10.755 1.00 0.00 H new ATOM 0 HA TRP A 70 21.707 4.489 -11.453 1.00 0.00 H new ATOM 0 HB2 TRP A 70 20.798 6.365 -10.228 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.380 5.338 -8.870 1.00 0.00 H new ATOM 0 HD1 TRP A 70 23.196 7.348 -10.313 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.267 7.261 -8.796 1.00 0.00 H new ATOM 0 HE3 TRP A 70 21.653 3.750 -7.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.216 5.666 -6.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 23.108 3.051 -5.154 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.393 3.993 -4.923 1.00 0.00 H new ATOM 1093 N LEU A 71 20.806 2.405 -9.026 1.00 0.00 N ATOM 1094 CA LEU A 71 21.245 1.255 -8.251 1.00 0.00 C ATOM 1095 C LEU A 71 21.494 0.081 -9.193 1.00 0.00 C ATOM 1096 O LEU A 71 22.525 -0.575 -9.099 1.00 0.00 O ATOM 1097 CB LEU A 71 20.222 0.890 -7.159 1.00 0.00 C ATOM 1098 CG LEU A 71 20.793 1.013 -5.736 1.00 0.00 C ATOM 1099 CD1 LEU A 71 19.695 0.640 -4.732 1.00 0.00 C ATOM 1100 CD2 LEU A 71 22.010 0.109 -5.494 1.00 0.00 C ATOM 0 H LEU A 71 19.848 2.697 -8.833 1.00 0.00 H new ATOM 0 HA LEU A 71 22.175 1.505 -7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.351 1.539 -7.253 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.877 -0.131 -7.319 1.00 0.00 H new ATOM 0 HG LEU A 71 21.125 2.043 -5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.086 0.723 -3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 71 18.848 1.316 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.369 -0.384 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.365 0.243 -4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.726 -0.932 -5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.804 0.374 -6.192 1.00 0.00 H new ATOM 1112 N ASN A 72 20.561 -0.170 -10.118 1.00 0.00 N ATOM 1113 CA ASN A 72 20.726 -1.176 -11.160 1.00 0.00 C ATOM 1114 C ASN A 72 22.037 -0.962 -11.924 1.00 0.00 C ATOM 1115 O ASN A 72 22.824 -1.891 -12.066 1.00 0.00 O ATOM 1116 CB ASN A 72 19.521 -1.143 -12.111 1.00 0.00 C ATOM 1117 CG ASN A 72 19.788 -1.897 -13.412 1.00 0.00 C ATOM 1118 OD1 ASN A 72 19.756 -1.310 -14.489 1.00 0.00 O ATOM 1119 ND2 ASN A 72 20.056 -3.196 -13.329 1.00 0.00 N ATOM 0 H ASN A 72 19.669 0.323 -10.161 1.00 0.00 H new ATOM 0 HA ASN A 72 20.775 -2.160 -10.694 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.655 -1.579 -11.612 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.269 -0.107 -12.339 1.00 0.00 H new ATOM 0 HD21 ASN A 72 20.242 -3.733 -14.176 1.00 0.00 H new ATOM 0 HD22 ASN A 72 20.075 -3.656 -12.419 1.00 0.00 H new ATOM 1126 N ASP A 73 22.265 0.259 -12.411 1.00 0.00 N ATOM 1127 CA ASP A 73 23.466 0.613 -13.156 1.00 0.00 C ATOM 1128 C ASP A 73 24.726 0.365 -12.321 1.00 0.00 C ATOM 1129 O ASP A 73 25.669 -0.273 -12.781 1.00 0.00 O ATOM 1130 CB ASP A 73 23.372 2.077 -13.599 1.00 0.00 C ATOM 1131 CG ASP A 73 24.634 2.522 -14.328 1.00 0.00 C ATOM 1132 OD1 ASP A 73 24.679 2.317 -15.560 1.00 0.00 O ATOM 1133 OD2 ASP A 73 25.526 3.065 -13.640 1.00 0.00 O ATOM 0 H ASP A 73 21.613 1.035 -12.296 1.00 0.00 H new ATOM 0 HA ASP A 73 23.539 -0.021 -14.040 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.509 2.206 -14.252 1.00 0.00 H new ATOM 0 HB3 ASP A 73 23.211 2.712 -12.728 1.00 0.00 H new ATOM 1138 N ALA A 74 24.742 0.890 -11.094 1.00 0.00 N ATOM 1139 CA ALA A 74 25.866 0.783 -10.178 1.00 0.00 C ATOM 1140 C ALA A 74 26.147 -0.676 -9.807 1.00 0.00 C ATOM 1141 O ALA A 74 27.301 -1.079 -9.678 1.00 0.00 O ATOM 1142 CB ALA A 74 25.569 1.614 -8.925 1.00 0.00 C ATOM 0 H ALA A 74 23.955 1.411 -10.707 1.00 0.00 H new ATOM 0 HA ALA A 74 26.760 1.168 -10.669 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.407 1.540 -8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.422 2.657 -9.206 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.666 1.237 -8.444 1.00 0.00 H new