USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 770 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: B 22 THR OG1 : rot 180:sc= -0.61 USER MOD Set 1.2: B 25 ASN :FLIP amide:sc= -2.04 F(o=-6!,f=-2.7) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.883 USER MOD Set 2.2: A 25 ASN :FLIP amide:sc= -1.88 F(o=-5.9!,f=-2.8) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.177 (180deg=-2.26!) USER MOD Single : A 1 MET N :NH3+ 131:sc= -0.0604 (180deg=-0.828) USER MOD Single : A 2 GLN :FLIP amide:sc=-0.00528 F(o=-1.8!,f=-0.0053) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -80:sc= 1.28 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00557 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -71:sc= 1.32 USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= -4.21! (180deg=-4.4!) USER MOD Single : A 29 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.147) USER MOD Single : A 31 GLN :FLIP amide:sc= -4.35! C(o=-8.2!,f=-4.4!) USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= -5.01! (180deg=-5.59!) USER MOD Single : A 40 GLN :FLIP amide:sc= -5.85! C(o=-12!,f=-5.9!) USER MOD Single : A 41 GLN : amide:sc= -5.49! X(o=-5.5!,f=-5.2) USER MOD Single : B 1 MET CE :methyl 154:sc= -0.471 (180deg=-2.73!) USER MOD Single : B 1 MET N :NH3+ -109:sc= -0.104 (180deg=-0.895) USER MOD Single : B 2 GLN :FLIP amide:sc= -0.272 F(o=-0.93,f=-0.27) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1 : rot -78:sc= 1.19 USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0.00768 USER MOD Single : B 14 THR OG1 : rot -81:sc= 0.0584 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 27 LYS NZ :NH3+ 170:sc= -3.95! (180deg=-4.92!) USER MOD Single : B 29 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.375) USER MOD Single : B 31 GLN :FLIP amide:sc= -4.39! C(o=-8!,f=-4.4!) USER MOD Single : B 33 LYS NZ :NH3+ 161:sc= -0.0585 (180deg=-0.47) USER MOD Single : B 40 GLN :FLIP amide:sc= -8.6! C(o=-12!,f=-8.6!) USER MOD Single : B 41 GLN :FLIP amide:sc= -4.21! C(o=-4.9!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 21 N MET A 1 2.717 -4.121 -11.516 1.00 0.00 N ATOM 22 CA MET A 1 2.202 -2.774 -11.296 1.00 0.00 C ATOM 23 C MET A 1 3.177 -1.943 -10.466 1.00 0.00 C ATOM 24 O MET A 1 3.569 -2.336 -9.367 1.00 0.00 O ATOM 25 CB MET A 1 0.847 -2.837 -10.589 1.00 0.00 C ATOM 26 CG MET A 1 0.914 -3.476 -9.211 1.00 0.00 C ATOM 27 SD MET A 1 -0.672 -3.474 -8.360 1.00 0.00 S ATOM 28 CE MET A 1 -0.184 -4.130 -6.767 1.00 0.00 C ATOM 0 H1 MET A 1 1.979 -4.817 -11.286 1.00 0.00 H new ATOM 0 H2 MET A 1 2.995 -4.228 -12.512 1.00 0.00 H new ATOM 0 H3 MET A 1 3.545 -4.280 -10.907 1.00 0.00 H new ATOM 0 HA MET A 1 2.082 -2.296 -12.268 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.448 -1.827 -10.494 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.148 -3.399 -11.208 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.267 -4.503 -9.309 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.647 -2.944 -8.604 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.868 -3.768 -5.999 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.216 -5.219 -6.797 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.829 -3.803 -6.534 1.00 0.00 H new ATOM 38 N GLN A 2 3.566 -0.792 -11.003 1.00 0.00 N ATOM 39 CA GLN A 2 4.496 0.096 -10.319 1.00 0.00 C ATOM 40 C GLN A 2 3.875 0.675 -9.051 1.00 0.00 C ATOM 41 O GLN A 2 2.965 1.500 -9.120 1.00 0.00 O ATOM 42 CB GLN A 2 4.899 1.246 -11.239 1.00 0.00 C ATOM 43 CG GLN A 2 5.347 0.806 -12.621 1.00 0.00 C ATOM 44 CD GLN A 2 5.697 1.972 -13.530 1.00 0.00 C ATOM 45 OE1 GLN A 2 5.517 3.196 -13.037 1.00 0.00 O flip ATOM 46 NE2 GLN A 2 6.121 1.777 -14.668 1.00 0.00 N flip ATOM 0 H GLN A 2 3.251 -0.452 -11.912 1.00 0.00 H new ATOM 0 HA GLN A 2 5.374 -0.491 -10.048 1.00 0.00 H new ATOM 0 HB2 GLN A 2 4.055 1.927 -11.342 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.706 1.808 -10.769 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.215 0.154 -12.525 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.555 0.217 -13.083 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.245 0.824 -15.010 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.348 2.568 -15.270 1.00 0.00 H new ATOM 55 N ILE A 3 4.386 0.261 -7.898 1.00 0.00 N ATOM 56 CA ILE A 3 3.891 0.766 -6.629 1.00 0.00 C ATOM 57 C ILE A 3 4.572 2.086 -6.286 1.00 0.00 C ATOM 58 O ILE A 3 5.787 2.222 -6.430 1.00 0.00 O ATOM 59 CB ILE A 3 4.118 -0.238 -5.478 1.00 0.00 C ATOM 60 CG1 ILE A 3 5.609 -0.500 -5.265 1.00 0.00 C ATOM 61 CG2 ILE A 3 3.386 -1.540 -5.760 1.00 0.00 C ATOM 62 CD1 ILE A 3 5.897 -1.380 -4.068 1.00 0.00 C ATOM 0 H ILE A 3 5.140 -0.421 -7.818 1.00 0.00 H new ATOM 0 HA ILE A 3 2.817 0.918 -6.740 1.00 0.00 H new ATOM 0 HB ILE A 3 3.717 0.199 -4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.020 -0.969 -6.159 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.124 0.452 -5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.555 -2.238 -4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.318 -1.344 -5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.759 -1.973 -6.688 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.973 -1.526 -3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.516 -0.903 -3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.410 -2.346 -4.201 1.00 0.00 H new ATOM 74 N PHE A 4 3.789 3.055 -5.833 1.00 0.00 N ATOM 75 CA PHE A 4 4.332 4.356 -5.472 1.00 0.00 C ATOM 76 C PHE A 4 4.779 4.348 -4.019 1.00 0.00 C ATOM 77 O PHE A 4 4.056 3.875 -3.145 1.00 0.00 O ATOM 78 CB PHE A 4 3.294 5.461 -5.703 1.00 0.00 C ATOM 79 CG PHE A 4 2.930 5.665 -7.150 1.00 0.00 C ATOM 80 CD1 PHE A 4 2.503 4.604 -7.932 1.00 0.00 C ATOM 81 CD2 PHE A 4 3.014 6.923 -7.725 1.00 0.00 C ATOM 82 CE1 PHE A 4 2.168 4.792 -9.260 1.00 0.00 C ATOM 83 CE2 PHE A 4 2.681 7.118 -9.052 1.00 0.00 C ATOM 84 CZ PHE A 4 2.258 6.052 -9.820 1.00 0.00 C ATOM 0 H PHE A 4 2.781 2.965 -5.707 1.00 0.00 H new ATOM 0 HA PHE A 4 5.194 4.560 -6.107 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.391 5.220 -5.142 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.679 6.398 -5.300 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.431 3.617 -7.499 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.344 7.761 -7.129 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.837 3.956 -9.858 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.752 8.104 -9.488 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.998 6.203 -10.857 1.00 0.00 H new ATOM 94 N VAL A 5 5.980 4.855 -3.763 1.00 0.00 N ATOM 95 CA VAL A 5 6.516 4.883 -2.408 1.00 0.00 C ATOM 96 C VAL A 5 7.436 6.079 -2.199 1.00 0.00 C ATOM 97 O VAL A 5 8.392 6.279 -2.943 1.00 0.00 O ATOM 98 CB VAL A 5 7.307 3.596 -2.088 1.00 0.00 C ATOM 99 CG1 VAL A 5 7.902 3.670 -0.691 1.00 0.00 C ATOM 100 CG2 VAL A 5 6.426 2.364 -2.234 1.00 0.00 C ATOM 0 H VAL A 5 6.598 5.250 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 5 5.660 4.960 -1.738 1.00 0.00 H new ATOM 0 HB VAL A 5 8.123 3.512 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.456 2.755 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.576 4.524 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.101 3.784 0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.007 1.471 -2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.583 2.436 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.055 2.301 -3.257 1.00 0.00 H new ATOM 110 N LYS A 6 7.148 6.863 -1.170 1.00 0.00 N ATOM 111 CA LYS A 6 7.958 8.028 -0.852 1.00 0.00 C ATOM 112 C LYS A 6 9.185 7.614 -0.049 1.00 0.00 C ATOM 113 O LYS A 6 9.065 7.114 1.069 1.00 0.00 O ATOM 114 CB LYS A 6 7.129 9.042 -0.061 1.00 0.00 C ATOM 115 CG LYS A 6 5.937 9.583 -0.835 1.00 0.00 C ATOM 116 CD LYS A 6 4.995 10.380 0.057 1.00 0.00 C ATOM 117 CE LYS A 6 5.706 11.536 0.741 1.00 0.00 C ATOM 118 NZ LYS A 6 4.789 12.315 1.621 1.00 0.00 N ATOM 0 H LYS A 6 6.359 6.713 -0.541 1.00 0.00 H new ATOM 0 HA LYS A 6 8.289 8.490 -1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.774 8.573 0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.770 9.873 0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.290 10.217 -1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.393 8.755 -1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.168 10.764 -0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.565 9.721 0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.536 11.151 1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.132 12.197 -0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.315 13.093 2.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.010 12.704 1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.402 11.691 2.358 1.00 0.00 H new ATOM 132 N THR A 7 10.367 7.818 -0.625 1.00 0.00 N ATOM 133 CA THR A 7 11.608 7.456 0.050 1.00 0.00 C ATOM 134 C THR A 7 11.844 8.342 1.265 1.00 0.00 C ATOM 135 O THR A 7 10.916 8.958 1.791 1.00 0.00 O ATOM 136 CB THR A 7 12.822 7.564 -0.893 1.00 0.00 C ATOM 137 OG1 THR A 7 12.926 8.895 -1.411 1.00 0.00 O ATOM 138 CG2 THR A 7 12.710 6.571 -2.039 1.00 0.00 C ATOM 0 H THR A 7 10.490 8.229 -1.550 1.00 0.00 H new ATOM 0 HA THR A 7 11.502 6.419 0.369 1.00 0.00 H new ATOM 0 HB THR A 7 13.719 7.329 -0.320 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.293 9.009 -2.151 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.579 6.667 -2.690 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.666 5.558 -1.640 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.804 6.775 -2.610 1.00 0.00 H new ATOM 146 N LEU A 8 13.094 8.407 1.705 1.00 0.00 N ATOM 147 CA LEU A 8 13.453 9.222 2.856 1.00 0.00 C ATOM 148 C LEU A 8 13.651 10.677 2.446 1.00 0.00 C ATOM 149 O LEU A 8 13.173 11.592 3.118 1.00 0.00 O ATOM 150 CB LEU A 8 14.722 8.674 3.506 1.00 0.00 C ATOM 151 CG LEU A 8 14.614 7.230 4.001 1.00 0.00 C ATOM 152 CD1 LEU A 8 15.553 6.328 3.217 1.00 0.00 C ATOM 153 CD2 LEU A 8 14.915 7.148 5.489 1.00 0.00 C ATOM 0 H LEU A 8 13.875 7.905 1.282 1.00 0.00 H new ATOM 0 HA LEU A 8 12.639 9.181 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.539 8.737 2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.988 9.313 4.348 1.00 0.00 H new ATOM 0 HG LEU A 8 13.592 6.888 3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.464 5.305 3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.290 6.361 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.580 6.671 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.833 6.113 5.820 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.926 7.510 5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.202 7.763 6.039 1.00 0.00 H new ATOM 165 N THR A 9 14.357 10.883 1.337 1.00 0.00 N ATOM 166 CA THR A 9 14.618 12.225 0.830 1.00 0.00 C ATOM 167 C THR A 9 13.362 12.840 0.214 1.00 0.00 C ATOM 168 O THR A 9 13.046 14.004 0.464 1.00 0.00 O ATOM 169 CB THR A 9 15.752 12.222 -0.215 1.00 0.00 C ATOM 170 OG1 THR A 9 15.943 13.542 -0.742 1.00 0.00 O ATOM 171 CG2 THR A 9 15.446 11.258 -1.351 1.00 0.00 C ATOM 0 H THR A 9 14.759 10.135 0.772 1.00 0.00 H new ATOM 0 HA THR A 9 14.927 12.830 1.683 1.00 0.00 H new ATOM 0 HB THR A 9 16.665 11.894 0.281 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.666 13.529 -1.403 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.262 11.276 -2.073 1.00 0.00 H new ATOM 0 HG22 THR A 9 15.336 10.249 -0.953 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.520 11.557 -1.842 1.00 0.00 H new ATOM 179 N GLY A 10 12.648 12.054 -0.591 1.00 0.00 N ATOM 180 CA GLY A 10 11.436 12.550 -1.222 1.00 0.00 C ATOM 181 C GLY A 10 11.096 11.820 -2.510 1.00 0.00 C ATOM 182 O GLY A 10 9.927 11.547 -2.784 1.00 0.00 O ATOM 0 H GLY A 10 12.886 11.088 -0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.604 12.452 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.552 13.613 -1.433 1.00 0.00 H new ATOM 186 N LYS A 11 12.119 11.518 -3.306 1.00 0.00 N ATOM 187 CA LYS A 11 11.927 10.830 -4.582 1.00 0.00 C ATOM 188 C LYS A 11 11.098 9.559 -4.415 1.00 0.00 C ATOM 189 O LYS A 11 11.326 8.771 -3.498 1.00 0.00 O ATOM 190 CB LYS A 11 13.281 10.480 -5.204 1.00 0.00 C ATOM 191 CG LYS A 11 14.139 9.579 -4.328 1.00 0.00 C ATOM 192 CD LYS A 11 15.400 9.131 -5.051 1.00 0.00 C ATOM 193 CE LYS A 11 16.267 8.245 -4.169 1.00 0.00 C ATOM 194 NZ LYS A 11 17.487 7.774 -4.881 1.00 0.00 N ATOM 0 H LYS A 11 13.091 11.739 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 11 11.385 11.507 -5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.115 9.989 -6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.827 11.401 -5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.411 10.110 -3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.561 8.705 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.128 8.589 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.971 10.005 -5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.559 8.797 -3.276 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.686 7.385 -3.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.050 7.174 -4.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.209 7.225 -5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 18.055 8.594 -5.176 1.00 0.00 H new ATOM 208 N THR A 12 10.137 9.365 -5.315 1.00 0.00 N ATOM 209 CA THR A 12 9.277 8.188 -5.282 1.00 0.00 C ATOM 210 C THR A 12 9.956 6.980 -5.912 1.00 0.00 C ATOM 211 O THR A 12 10.602 7.093 -6.955 1.00 0.00 O ATOM 212 CB THR A 12 7.952 8.435 -6.018 1.00 0.00 C ATOM 213 OG1 THR A 12 8.207 8.994 -7.312 1.00 0.00 O ATOM 214 CG2 THR A 12 7.048 9.360 -5.223 1.00 0.00 C ATOM 0 H THR A 12 9.935 10.011 -6.078 1.00 0.00 H new ATOM 0 HA THR A 12 9.078 7.987 -4.229 1.00 0.00 H new ATOM 0 HB THR A 12 7.444 7.478 -6.132 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.357 9.147 -7.776 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.117 9.517 -5.769 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.829 8.911 -4.254 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.547 10.318 -5.075 1.00 0.00 H new ATOM 222 N ILE A 13 9.790 5.822 -5.285 1.00 0.00 N ATOM 223 CA ILE A 13 10.368 4.589 -5.797 1.00 0.00 C ATOM 224 C ILE A 13 9.350 3.816 -6.613 1.00 0.00 C ATOM 225 O ILE A 13 8.235 3.562 -6.157 1.00 0.00 O ATOM 226 CB ILE A 13 10.878 3.666 -4.677 1.00 0.00 C ATOM 227 CG1 ILE A 13 10.516 4.221 -3.301 1.00 0.00 C ATOM 228 CG2 ILE A 13 12.376 3.462 -4.800 1.00 0.00 C ATOM 229 CD1 ILE A 13 10.997 3.354 -2.163 1.00 0.00 C ATOM 0 H ILE A 13 9.259 5.712 -4.421 1.00 0.00 H new ATOM 0 HA ILE A 13 11.212 4.889 -6.418 1.00 0.00 H new ATOM 0 HB ILE A 13 10.389 2.698 -4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.943 5.218 -3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.433 4.329 -3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 13 12.721 2.807 -4.000 1.00 0.00 H new ATOM 0 HG22 ILE A 13 12.603 3.008 -5.765 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.882 4.425 -4.724 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.707 3.805 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.549 2.364 -2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 13 12.083 3.266 -2.206 1.00 0.00 H new ATOM 241 N THR A 14 9.744 3.426 -7.812 1.00 0.00 N ATOM 242 CA THR A 14 8.871 2.660 -8.681 1.00 0.00 C ATOM 243 C THR A 14 9.194 1.177 -8.541 1.00 0.00 C ATOM 244 O THR A 14 10.365 0.800 -8.480 1.00 0.00 O ATOM 245 CB THR A 14 9.025 3.084 -10.151 1.00 0.00 C ATOM 246 OG1 THR A 14 9.472 4.443 -10.223 1.00 0.00 O ATOM 247 CG2 THR A 14 7.700 2.960 -10.882 1.00 0.00 C ATOM 0 H THR A 14 10.663 3.628 -8.206 1.00 0.00 H new ATOM 0 HA THR A 14 7.840 2.851 -8.382 1.00 0.00 H new ATOM 0 HB THR A 14 9.758 2.428 -10.621 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.570 4.706 -11.162 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.828 3.264 -11.921 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.360 1.925 -10.846 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.960 3.602 -10.404 1.00 0.00 H new ATOM 255 N LEU A 15 8.170 0.336 -8.466 1.00 0.00 N ATOM 256 CA LEU A 15 8.392 -1.095 -8.305 1.00 0.00 C ATOM 257 C LEU A 15 7.150 -1.912 -8.670 1.00 0.00 C ATOM 258 O LEU A 15 6.118 -1.827 -8.010 1.00 0.00 O ATOM 259 CB LEU A 15 8.824 -1.368 -6.856 1.00 0.00 C ATOM 260 CG LEU A 15 8.428 -2.731 -6.277 1.00 0.00 C ATOM 261 CD1 LEU A 15 8.964 -3.866 -7.131 1.00 0.00 C ATOM 262 CD2 LEU A 15 8.922 -2.858 -4.844 1.00 0.00 C ATOM 0 H LEU A 15 7.190 0.615 -8.513 1.00 0.00 H new ATOM 0 HA LEU A 15 9.180 -1.407 -8.991 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.908 -1.273 -6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.402 -0.590 -6.220 1.00 0.00 H new ATOM 0 HG LEU A 15 7.340 -2.798 -6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.667 -4.820 -6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.558 -3.785 -8.139 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.052 -3.808 -7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.634 -3.831 -4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.008 -2.764 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.479 -2.070 -4.235 1.00 0.00 H new ATOM 274 N GLU A 16 7.273 -2.713 -9.727 1.00 0.00 N ATOM 275 CA GLU A 16 6.176 -3.555 -10.192 1.00 0.00 C ATOM 276 C GLU A 16 6.132 -4.882 -9.433 1.00 0.00 C ATOM 277 O GLU A 16 7.151 -5.554 -9.280 1.00 0.00 O ATOM 278 CB GLU A 16 6.315 -3.817 -11.694 1.00 0.00 C ATOM 279 CG GLU A 16 7.602 -4.535 -12.071 1.00 0.00 C ATOM 280 CD GLU A 16 7.730 -4.763 -13.564 1.00 0.00 C ATOM 281 OE1 GLU A 16 6.843 -4.307 -14.315 1.00 0.00 O ATOM 282 OE2 GLU A 16 8.721 -5.396 -13.984 1.00 0.00 O ATOM 0 H GLU A 16 8.127 -2.795 -10.279 1.00 0.00 H new ATOM 0 HA GLU A 16 5.242 -3.025 -10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.465 -4.411 -12.031 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.270 -2.867 -12.226 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.454 -3.951 -11.723 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.642 -5.495 -11.556 1.00 0.00 H new ATOM 289 N VAL A 17 4.937 -5.254 -8.978 1.00 0.00 N ATOM 290 CA VAL A 17 4.733 -6.504 -8.246 1.00 0.00 C ATOM 291 C VAL A 17 3.277 -6.951 -8.335 1.00 0.00 C ATOM 292 O VAL A 17 2.359 -6.133 -8.264 1.00 0.00 O ATOM 293 CB VAL A 17 5.122 -6.379 -6.759 1.00 0.00 C ATOM 294 CG1 VAL A 17 6.633 -6.335 -6.589 1.00 0.00 C ATOM 295 CG2 VAL A 17 4.477 -5.147 -6.148 1.00 0.00 C ATOM 0 H VAL A 17 4.088 -4.703 -9.105 1.00 0.00 H new ATOM 0 HA VAL A 17 5.382 -7.245 -8.714 1.00 0.00 H new ATOM 0 HB VAL A 17 4.754 -7.261 -6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.878 -6.247 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.071 -7.250 -6.987 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.035 -5.476 -7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.760 -5.071 -5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.815 -4.258 -6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.393 -5.227 -6.227 1.00 0.00 H new ATOM 305 N GLU A 18 3.075 -8.254 -8.500 1.00 0.00 N ATOM 306 CA GLU A 18 1.735 -8.822 -8.611 1.00 0.00 C ATOM 307 C GLU A 18 0.908 -8.552 -7.354 1.00 0.00 C ATOM 308 O GLU A 18 1.433 -8.562 -6.241 1.00 0.00 O ATOM 309 CB GLU A 18 1.825 -10.326 -8.861 1.00 0.00 C ATOM 310 CG GLU A 18 2.672 -10.685 -10.070 1.00 0.00 C ATOM 311 CD GLU A 18 2.747 -12.181 -10.307 1.00 0.00 C ATOM 312 OE1 GLU A 18 1.684 -12.803 -10.520 1.00 0.00 O ATOM 313 OE2 GLU A 18 3.868 -12.731 -10.281 1.00 0.00 O ATOM 0 H GLU A 18 3.827 -8.941 -8.560 1.00 0.00 H new ATOM 0 HA GLU A 18 1.236 -8.342 -9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.242 -10.810 -7.978 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.820 -10.725 -8.999 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.259 -10.201 -10.955 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.679 -10.292 -9.933 1.00 0.00 H new ATOM 320 N PRO A 19 -0.406 -8.314 -7.519 1.00 0.00 N ATOM 321 CA PRO A 19 -1.313 -8.049 -6.395 1.00 0.00 C ATOM 322 C PRO A 19 -1.413 -9.235 -5.446 1.00 0.00 C ATOM 323 O PRO A 19 -1.499 -9.067 -4.230 1.00 0.00 O ATOM 324 CB PRO A 19 -2.663 -7.810 -7.072 1.00 0.00 C ATOM 325 CG PRO A 19 -2.549 -8.471 -8.396 1.00 0.00 C ATOM 326 CD PRO A 19 -1.119 -8.293 -8.808 1.00 0.00 C ATOM 0 HA PRO A 19 -0.969 -7.213 -5.786 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.479 -8.235 -6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.868 -6.745 -7.179 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.811 -9.527 -8.332 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.226 -8.018 -9.121 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.785 -9.093 -9.469 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.965 -7.355 -9.341 1.00 0.00 H new ATOM 334 N SER A 20 -1.405 -10.435 -6.016 1.00 0.00 N ATOM 335 CA SER A 20 -1.498 -11.658 -5.230 1.00 0.00 C ATOM 336 C SER A 20 -0.294 -11.789 -4.310 1.00 0.00 C ATOM 337 O SER A 20 -0.351 -12.471 -3.287 1.00 0.00 O ATOM 338 CB SER A 20 -1.585 -12.874 -6.154 1.00 0.00 C ATOM 339 OG SER A 20 -2.721 -12.799 -6.997 1.00 0.00 O ATOM 0 H SER A 20 -1.335 -10.586 -7.022 1.00 0.00 H new ATOM 0 HA SER A 20 -2.401 -11.611 -4.621 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.682 -12.937 -6.761 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.632 -13.785 -5.557 1.00 0.00 H new ATOM 0 HG SER A 20 -3.533 -12.935 -6.465 1.00 0.00 H new ATOM 345 N ASP A 21 0.795 -11.125 -4.681 1.00 0.00 N ATOM 346 CA ASP A 21 2.017 -11.160 -3.887 1.00 0.00 C ATOM 347 C ASP A 21 1.761 -10.591 -2.494 1.00 0.00 C ATOM 348 O ASP A 21 1.118 -9.552 -2.347 1.00 0.00 O ATOM 349 CB ASP A 21 3.126 -10.365 -4.583 1.00 0.00 C ATOM 350 CG ASP A 21 4.464 -10.487 -3.877 1.00 0.00 C ATOM 351 OD1 ASP A 21 4.543 -11.232 -2.878 1.00 0.00 O ATOM 352 OD2 ASP A 21 5.433 -9.842 -4.328 1.00 0.00 O ATOM 0 H ASP A 21 0.856 -10.557 -5.526 1.00 0.00 H new ATOM 0 HA ASP A 21 2.336 -12.198 -3.789 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.228 -10.715 -5.610 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.839 -9.314 -4.631 1.00 0.00 H new ATOM 357 N THR A 22 2.263 -11.281 -1.475 1.00 0.00 N ATOM 358 CA THR A 22 2.083 -10.846 -0.095 1.00 0.00 C ATOM 359 C THR A 22 2.722 -9.484 0.141 1.00 0.00 C ATOM 360 O THR A 22 3.794 -9.189 -0.390 1.00 0.00 O ATOM 361 CB THR A 22 2.673 -11.860 0.900 1.00 0.00 C ATOM 362 OG1 THR A 22 4.067 -12.055 0.637 1.00 0.00 O ATOM 363 CG2 THR A 22 1.942 -13.190 0.809 1.00 0.00 C ATOM 0 H THR A 22 2.798 -12.143 -1.579 1.00 0.00 H new ATOM 0 HA THR A 22 1.008 -10.773 0.073 1.00 0.00 H new ATOM 0 HB THR A 22 2.550 -11.462 1.907 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.433 -12.701 1.277 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.375 -13.893 1.521 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.887 -13.042 1.041 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.039 -13.590 -0.200 1.00 0.00 H new ATOM 371 N ILE A 23 2.054 -8.656 0.937 1.00 0.00 N ATOM 372 CA ILE A 23 2.551 -7.320 1.245 1.00 0.00 C ATOM 373 C ILE A 23 3.975 -7.375 1.788 1.00 0.00 C ATOM 374 O ILE A 23 4.814 -6.547 1.438 1.00 0.00 O ATOM 375 CB ILE A 23 1.650 -6.604 2.273 1.00 0.00 C ATOM 376 CG1 ILE A 23 0.210 -6.525 1.759 1.00 0.00 C ATOM 377 CG2 ILE A 23 2.188 -5.210 2.567 1.00 0.00 C ATOM 378 CD1 ILE A 23 -0.739 -5.832 2.715 1.00 0.00 C ATOM 0 H ILE A 23 1.165 -8.887 1.381 1.00 0.00 H new ATOM 0 HA ILE A 23 2.541 -6.758 0.311 1.00 0.00 H new ATOM 0 HB ILE A 23 1.654 -7.180 3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.202 -5.996 0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.154 -7.534 1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.543 -4.717 3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.197 -5.287 2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.210 -4.627 1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.740 -5.813 2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.761 -6.372 3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.400 -4.811 2.888 1.00 0.00 H new ATOM 390 N GLU A 24 4.241 -8.353 2.646 1.00 0.00 N ATOM 391 CA GLU A 24 5.565 -8.512 3.240 1.00 0.00 C ATOM 392 C GLU A 24 6.646 -8.619 2.167 1.00 0.00 C ATOM 393 O GLU A 24 7.736 -8.065 2.316 1.00 0.00 O ATOM 394 CB GLU A 24 5.597 -9.750 4.141 1.00 0.00 C ATOM 395 CG GLU A 24 5.245 -11.041 3.419 1.00 0.00 C ATOM 396 CD GLU A 24 5.323 -12.257 4.322 1.00 0.00 C ATOM 397 OE1 GLU A 24 5.709 -12.101 5.499 1.00 0.00 O ATOM 398 OE2 GLU A 24 5.001 -13.368 3.851 1.00 0.00 O ATOM 0 H GLU A 24 3.558 -9.048 2.947 1.00 0.00 H new ATOM 0 HA GLU A 24 5.770 -7.626 3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.592 -9.847 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.901 -9.605 4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.238 -10.961 3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.921 -11.176 2.575 1.00 0.00 H new ATOM 405 N ASN A 25 6.344 -9.339 1.090 1.00 0.00 N ATOM 406 CA ASN A 25 7.299 -9.521 0.001 1.00 0.00 C ATOM 407 C ASN A 25 7.589 -8.209 -0.725 1.00 0.00 C ATOM 408 O ASN A 25 8.749 -7.846 -0.919 1.00 0.00 O ATOM 409 CB ASN A 25 6.787 -10.566 -0.992 1.00 0.00 C ATOM 410 CG ASN A 25 6.690 -11.957 -0.388 1.00 0.00 C ATOM 411 OD1 ASN A 25 7.059 -12.088 0.883 1.00 0.00 O flip ATOM 412 ND2 ASN A 25 6.286 -12.906 -1.060 1.00 0.00 N flip ATOM 0 H ASN A 25 5.448 -9.805 0.948 1.00 0.00 H new ATOM 0 HA ASN A 25 8.232 -9.872 0.443 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.805 -10.264 -1.356 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.451 -10.596 -1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.013 -12.763 -2.032 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.225 -13.836 -0.645 1.00 0.00 H new ATOM 419 N VAL A 26 6.537 -7.500 -1.137 1.00 0.00 N ATOM 420 CA VAL A 26 6.716 -6.237 -1.849 1.00 0.00 C ATOM 421 C VAL A 26 7.478 -5.227 -0.991 1.00 0.00 C ATOM 422 O VAL A 26 8.336 -4.500 -1.490 1.00 0.00 O ATOM 423 CB VAL A 26 5.372 -5.616 -2.300 1.00 0.00 C ATOM 424 CG1 VAL A 26 4.546 -6.628 -3.081 1.00 0.00 C ATOM 425 CG2 VAL A 26 4.589 -5.069 -1.119 1.00 0.00 C ATOM 0 H VAL A 26 5.565 -7.775 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 26 7.297 -6.470 -2.742 1.00 0.00 H new ATOM 0 HB VAL A 26 5.597 -4.778 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.606 -6.171 -3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.100 -6.946 -3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.340 -7.493 -2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.651 -4.640 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.378 -5.876 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.175 -4.298 -0.620 1.00 0.00 H new ATOM 435 N LYS A 27 7.163 -5.195 0.302 1.00 0.00 N ATOM 436 CA LYS A 27 7.823 -4.280 1.230 1.00 0.00 C ATOM 437 C LYS A 27 9.308 -4.606 1.344 1.00 0.00 C ATOM 438 O LYS A 27 10.153 -3.711 1.340 1.00 0.00 O ATOM 439 CB LYS A 27 7.168 -4.360 2.611 1.00 0.00 C ATOM 440 CG LYS A 27 5.693 -3.987 2.610 1.00 0.00 C ATOM 441 CD LYS A 27 5.058 -4.210 3.975 1.00 0.00 C ATOM 442 CE LYS A 27 5.603 -3.246 5.014 1.00 0.00 C ATOM 443 NZ LYS A 27 5.280 -1.833 4.680 1.00 0.00 N ATOM 0 H LYS A 27 6.455 -5.792 0.731 1.00 0.00 H new ATOM 0 HA LYS A 27 7.716 -3.267 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.277 -5.373 2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.701 -3.699 3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.582 -2.941 2.323 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.167 -4.581 1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.978 -4.088 3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.241 -5.235 4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.188 -3.492 5.991 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.684 -3.364 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.404 -1.240 5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.916 -1.500 3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.294 -1.770 4.354 1.00 0.00 H new ATOM 457 N ALA A 28 9.616 -5.895 1.449 1.00 0.00 N ATOM 458 CA ALA A 28 10.997 -6.348 1.567 1.00 0.00 C ATOM 459 C ALA A 28 11.829 -5.891 0.373 1.00 0.00 C ATOM 460 O ALA A 28 12.968 -5.452 0.531 1.00 0.00 O ATOM 461 CB ALA A 28 11.046 -7.862 1.695 1.00 0.00 C ATOM 0 H ALA A 28 8.926 -6.646 1.455 1.00 0.00 H new ATOM 0 HA ALA A 28 11.423 -5.903 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.083 -8.186 1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.493 -8.170 2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.597 -8.317 0.812 1.00 0.00 H new ATOM 467 N LYS A 29 11.251 -5.997 -0.818 1.00 0.00 N ATOM 468 CA LYS A 29 11.934 -5.597 -2.041 1.00 0.00 C ATOM 469 C LYS A 29 12.244 -4.106 -2.021 1.00 0.00 C ATOM 470 O LYS A 29 13.294 -3.680 -2.501 1.00 0.00 O ATOM 471 CB LYS A 29 11.085 -5.951 -3.263 1.00 0.00 C ATOM 472 CG LYS A 29 11.749 -5.609 -4.586 1.00 0.00 C ATOM 473 CD LYS A 29 10.935 -6.108 -5.770 1.00 0.00 C ATOM 474 CE LYS A 29 10.806 -7.623 -5.766 1.00 0.00 C ATOM 475 NZ LYS A 29 10.003 -8.115 -6.920 1.00 0.00 N ATOM 0 H LYS A 29 10.308 -6.358 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 29 12.877 -6.141 -2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.862 -7.018 -3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.132 -5.425 -3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.876 -4.529 -4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.745 -6.050 -4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.942 -5.658 -5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.407 -5.786 -6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.799 -8.072 -5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.339 -7.945 -4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.610 -9.051 -6.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.227 -7.450 -7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.611 -8.188 -7.760 1.00 0.00 H new ATOM 489 N ILE A 30 11.335 -3.316 -1.455 1.00 0.00 N ATOM 490 CA ILE A 30 11.539 -1.876 -1.370 1.00 0.00 C ATOM 491 C ILE A 30 12.858 -1.580 -0.669 1.00 0.00 C ATOM 492 O ILE A 30 13.579 -0.655 -1.044 1.00 0.00 O ATOM 493 CB ILE A 30 10.395 -1.173 -0.617 1.00 0.00 C ATOM 494 CG1 ILE A 30 9.051 -1.491 -1.276 1.00 0.00 C ATOM 495 CG2 ILE A 30 10.636 0.332 -0.587 1.00 0.00 C ATOM 496 CD1 ILE A 30 7.862 -0.891 -0.555 1.00 0.00 C ATOM 0 H ILE A 30 10.458 -3.647 -1.052 1.00 0.00 H new ATOM 0 HA ILE A 30 11.558 -1.490 -2.389 1.00 0.00 H new ATOM 0 HB ILE A 30 10.369 -1.541 0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.064 -1.125 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.927 -2.573 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.821 0.820 -0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.579 0.540 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.681 0.714 -1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.945 -1.159 -1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.822 -1.276 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.962 0.194 -0.529 1.00 0.00 H new ATOM 508 N GLN A 31 13.181 -2.393 0.336 1.00 0.00 N ATOM 509 CA GLN A 31 14.428 -2.239 1.067 1.00 0.00 C ATOM 510 C GLN A 31 15.583 -2.364 0.092 1.00 0.00 C ATOM 511 O GLN A 31 16.561 -1.620 0.159 1.00 0.00 O ATOM 512 CB GLN A 31 14.550 -3.304 2.159 1.00 0.00 C ATOM 513 CG GLN A 31 13.405 -3.292 3.159 1.00 0.00 C ATOM 514 CD GLN A 31 13.550 -4.369 4.218 1.00 0.00 C ATOM 515 OE1 GLN A 31 12.585 -5.279 4.273 1.00 0.00 O flip ATOM 516 NE2 GLN A 31 14.520 -4.382 4.976 1.00 0.00 N flip ATOM 0 H GLN A 31 12.594 -3.162 0.659 1.00 0.00 H new ATOM 0 HA GLN A 31 14.446 -1.260 1.545 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.601 -4.287 1.691 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.488 -3.157 2.694 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.358 -2.316 3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.462 -3.431 2.630 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.238 -3.662 4.898 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.605 -5.113 5.682 1.00 0.00 H new ATOM 525 N ASP A 32 15.442 -3.309 -0.833 1.00 0.00 N ATOM 526 CA ASP A 32 16.450 -3.536 -1.852 1.00 0.00 C ATOM 527 C ASP A 32 16.567 -2.303 -2.741 1.00 0.00 C ATOM 528 O ASP A 32 17.664 -1.898 -3.123 1.00 0.00 O ATOM 529 CB ASP A 32 16.098 -4.767 -2.690 1.00 0.00 C ATOM 530 CG ASP A 32 17.178 -5.121 -3.696 1.00 0.00 C ATOM 531 OD1 ASP A 32 18.218 -4.428 -3.723 1.00 0.00 O ATOM 532 OD2 ASP A 32 16.986 -6.094 -4.454 1.00 0.00 O ATOM 0 H ASP A 32 14.635 -3.930 -0.894 1.00 0.00 H new ATOM 0 HA ASP A 32 17.409 -3.718 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.932 -5.617 -2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 32 15.161 -4.586 -3.217 1.00 0.00 H new ATOM 537 N LYS A 33 15.418 -1.703 -3.051 1.00 0.00 N ATOM 538 CA LYS A 33 15.373 -0.503 -3.880 1.00 0.00 C ATOM 539 C LYS A 33 16.135 0.638 -3.218 1.00 0.00 C ATOM 540 O LYS A 33 16.841 1.396 -3.885 1.00 0.00 O ATOM 541 CB LYS A 33 13.922 -0.077 -4.135 1.00 0.00 C ATOM 542 CG LYS A 33 13.151 -1.025 -5.039 1.00 0.00 C ATOM 543 CD LYS A 33 13.760 -1.116 -6.432 1.00 0.00 C ATOM 544 CE LYS A 33 13.504 0.140 -7.257 1.00 0.00 C ATOM 545 NZ LYS A 33 14.217 1.331 -6.718 1.00 0.00 N ATOM 0 H LYS A 33 14.504 -2.031 -2.738 1.00 0.00 H new ATOM 0 HA LYS A 33 15.846 -0.736 -4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.403 0.000 -3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.919 0.918 -4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.130 -2.017 -4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.117 -0.689 -5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.834 -1.280 -6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.346 -1.980 -6.952 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.820 -0.034 -8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.433 0.342 -7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.269 2.066 -7.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.702 1.700 -5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.179 1.059 -6.432 1.00 0.00 H new ATOM 559 N GLU A 34 15.990 0.755 -1.902 1.00 0.00 N ATOM 560 CA GLU A 34 16.666 1.803 -1.149 1.00 0.00 C ATOM 561 C GLU A 34 17.363 1.215 0.075 1.00 0.00 C ATOM 562 O GLU A 34 18.530 0.826 0.005 1.00 0.00 O ATOM 563 CB GLU A 34 15.670 2.884 -0.721 1.00 0.00 C ATOM 564 CG GLU A 34 16.325 4.118 -0.121 1.00 0.00 C ATOM 565 CD GLU A 34 17.191 4.867 -1.117 1.00 0.00 C ATOM 566 OE1 GLU A 34 18.175 4.279 -1.611 1.00 0.00 O ATOM 567 OE2 GLU A 34 16.881 6.043 -1.403 1.00 0.00 O ATOM 0 H GLU A 34 15.410 0.136 -1.336 1.00 0.00 H new ATOM 0 HA GLU A 34 17.418 2.258 -1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.078 3.183 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.979 2.460 0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.552 4.787 0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.934 3.822 0.733 1.00 0.00 H new ATOM 574 N GLY A 35 16.646 1.146 1.194 1.00 0.00 N ATOM 575 CA GLY A 35 17.224 0.591 2.404 1.00 0.00 C ATOM 576 C GLY A 35 16.500 1.028 3.663 1.00 0.00 C ATOM 577 O GLY A 35 17.133 1.398 4.652 1.00 0.00 O ATOM 0 H GLY A 35 15.681 1.463 1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.208 -0.497 2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.270 0.891 2.471 1.00 0.00 H new ATOM 581 N ILE A 36 15.173 0.981 3.632 1.00 0.00 N ATOM 582 CA ILE A 36 14.370 1.369 4.781 1.00 0.00 C ATOM 583 C ILE A 36 13.453 0.236 5.231 1.00 0.00 C ATOM 584 O ILE A 36 12.686 -0.309 4.437 1.00 0.00 O ATOM 585 CB ILE A 36 13.511 2.616 4.489 1.00 0.00 C ATOM 586 CG1 ILE A 36 13.350 2.837 2.980 1.00 0.00 C ATOM 587 CG2 ILE A 36 14.118 3.844 5.144 1.00 0.00 C ATOM 588 CD1 ILE A 36 12.570 1.750 2.276 1.00 0.00 C ATOM 0 H ILE A 36 14.632 0.678 2.822 1.00 0.00 H new ATOM 0 HA ILE A 36 15.076 1.603 5.578 1.00 0.00 H new ATOM 0 HB ILE A 36 12.520 2.448 4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.851 3.792 2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.339 2.911 2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.499 4.715 4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.169 3.694 6.222 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.122 4.006 4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.501 1.982 1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.078 0.795 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.567 1.689 2.699 1.00 0.00 H new ATOM 600 N PRO A 37 13.522 -0.128 6.523 1.00 0.00 N ATOM 601 CA PRO A 37 12.697 -1.192 7.099 1.00 0.00 C ATOM 602 C PRO A 37 11.244 -1.129 6.633 1.00 0.00 C ATOM 603 O PRO A 37 10.676 -0.045 6.494 1.00 0.00 O ATOM 604 CB PRO A 37 12.780 -0.898 8.592 1.00 0.00 C ATOM 605 CG PRO A 37 14.141 -0.325 8.777 1.00 0.00 C ATOM 606 CD PRO A 37 14.420 0.475 7.532 1.00 0.00 C ATOM 0 HA PRO A 37 13.042 -2.184 6.808 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.007 -0.196 8.903 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.645 -1.803 9.184 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.183 0.306 9.665 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.882 -1.113 8.910 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.205 1.533 7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.466 0.401 7.234 1.00 0.00 H new ATOM 614 N PRO A 38 10.620 -2.294 6.390 1.00 0.00 N ATOM 615 CA PRO A 38 9.225 -2.366 5.943 1.00 0.00 C ATOM 616 C PRO A 38 8.261 -1.780 6.971 1.00 0.00 C ATOM 617 O PRO A 38 7.242 -1.191 6.613 1.00 0.00 O ATOM 618 CB PRO A 38 8.973 -3.868 5.767 1.00 0.00 C ATOM 619 CG PRO A 38 10.021 -4.535 6.590 1.00 0.00 C ATOM 620 CD PRO A 38 11.219 -3.632 6.538 1.00 0.00 C ATOM 0 HA PRO A 38 9.061 -1.790 5.032 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.973 -4.142 6.104 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.048 -4.161 4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.682 -4.675 7.616 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.259 -5.523 6.195 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.820 -3.707 7.444 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.872 -3.876 5.701 1.00 0.00 H new ATOM 628 N ASP A 39 8.593 -1.945 8.248 1.00 0.00 N ATOM 629 CA ASP A 39 7.760 -1.429 9.328 1.00 0.00 C ATOM 630 C ASP A 39 7.563 0.071 9.172 1.00 0.00 C ATOM 631 O ASP A 39 6.476 0.596 9.415 1.00 0.00 O ATOM 632 CB ASP A 39 8.394 -1.738 10.686 1.00 0.00 C ATOM 633 CG ASP A 39 8.556 -3.227 10.924 1.00 0.00 C ATOM 634 OD1 ASP A 39 9.264 -3.882 10.130 1.00 0.00 O ATOM 635 OD2 ASP A 39 7.977 -3.737 11.905 1.00 0.00 O ATOM 0 H ASP A 39 9.433 -2.432 8.560 1.00 0.00 H new ATOM 0 HA ASP A 39 6.787 -1.918 9.278 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.369 -1.255 10.747 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.777 -1.311 11.477 1.00 0.00 H new ATOM 640 N GLN A 40 8.623 0.753 8.754 1.00 0.00 N ATOM 641 CA GLN A 40 8.574 2.193 8.552 1.00 0.00 C ATOM 642 C GLN A 40 7.582 2.546 7.450 1.00 0.00 C ATOM 643 O GLN A 40 6.848 3.528 7.550 1.00 0.00 O ATOM 644 CB GLN A 40 9.962 2.716 8.185 1.00 0.00 C ATOM 645 CG GLN A 40 11.003 2.512 9.273 1.00 0.00 C ATOM 646 CD GLN A 40 12.423 2.658 8.759 1.00 0.00 C ATOM 647 OE1 GLN A 40 12.569 2.793 7.444 1.00 0.00 O flip ATOM 648 NE2 GLN A 40 13.380 2.638 9.535 1.00 0.00 N flip ATOM 0 H GLN A 40 9.528 0.329 8.548 1.00 0.00 H new ATOM 0 HA GLN A 40 8.246 2.661 9.480 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.299 2.218 7.276 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.891 3.780 7.958 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.834 3.234 10.072 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.879 1.520 9.708 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.222 2.532 10.537 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.330 2.727 9.175 1.00 0.00 H new ATOM 657 N GLN A 41 7.577 1.733 6.397 1.00 0.00 N ATOM 658 CA GLN A 41 6.688 1.942 5.258 1.00 0.00 C ATOM 659 C GLN A 41 5.238 2.071 5.713 1.00 0.00 C ATOM 660 O GLN A 41 4.753 1.262 6.504 1.00 0.00 O ATOM 661 CB GLN A 41 6.811 0.773 4.279 1.00 0.00 C ATOM 662 CG GLN A 41 8.245 0.365 3.986 1.00 0.00 C ATOM 663 CD GLN A 41 9.043 1.456 3.304 1.00 0.00 C ATOM 664 OE1 GLN A 41 9.226 2.545 3.848 1.00 0.00 O ATOM 665 NE2 GLN A 41 9.525 1.165 2.105 1.00 0.00 N ATOM 0 H GLN A 41 8.183 0.918 6.309 1.00 0.00 H new ATOM 0 HA GLN A 41 6.982 2.868 4.764 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.275 -0.085 4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.322 1.042 3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.737 0.092 4.919 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.242 -0.524 3.355 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.348 0.249 1.693 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.073 1.857 1.594 1.00 0.00 H new ATOM 674 N ARG A 42 4.550 3.089 5.208 1.00 0.00 N ATOM 675 CA ARG A 42 3.159 3.313 5.566 1.00 0.00 C ATOM 676 C ARG A 42 2.225 2.963 4.411 1.00 0.00 C ATOM 677 O ARG A 42 2.304 3.555 3.337 1.00 0.00 O ATOM 678 CB ARG A 42 2.947 4.770 5.990 1.00 0.00 C ATOM 679 CG ARG A 42 1.520 5.084 6.413 1.00 0.00 C ATOM 680 CD ARG A 42 1.095 4.252 7.612 1.00 0.00 C ATOM 681 NE ARG A 42 1.946 4.491 8.773 1.00 0.00 N ATOM 682 CZ ARG A 42 1.787 3.882 9.944 1.00 0.00 C ATOM 683 NH1 ARG A 42 0.810 2.999 10.111 1.00 0.00 N ATOM 684 NH2 ARG A 42 2.604 4.156 10.952 1.00 0.00 N ATOM 0 H ARG A 42 4.934 3.769 4.552 1.00 0.00 H new ATOM 0 HA ARG A 42 2.921 2.658 6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.620 5.000 6.816 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.223 5.423 5.162 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.437 6.143 6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.843 4.895 5.580 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.061 4.485 7.866 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.128 3.195 7.350 1.00 0.00 H new ATOM 0 HE ARG A 42 2.707 5.164 8.681 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.178 2.786 9.339 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.691 2.534 11.011 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.355 4.835 10.829 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.481 3.688 11.850 1.00 0.00 H new ATOM 698 N LEU A 43 1.329 2.003 4.643 1.00 0.00 N ATOM 699 CA LEU A 43 0.374 1.587 3.620 1.00 0.00 C ATOM 700 C LEU A 43 -0.617 2.698 3.310 1.00 0.00 C ATOM 701 O LEU A 43 -1.263 3.238 4.209 1.00 0.00 O ATOM 702 CB LEU A 43 -0.381 0.330 4.060 1.00 0.00 C ATOM 703 CG LEU A 43 0.353 -0.991 3.819 1.00 0.00 C ATOM 704 CD1 LEU A 43 1.682 -1.012 4.556 1.00 0.00 C ATOM 705 CD2 LEU A 43 -0.512 -2.168 4.241 1.00 0.00 C ATOM 0 H LEU A 43 1.246 1.502 5.527 1.00 0.00 H new ATOM 0 HA LEU A 43 0.940 1.363 2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.604 0.414 5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.336 0.297 3.535 1.00 0.00 H new ATOM 0 HG LEU A 43 0.555 -1.078 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.186 -1.960 4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.308 -0.193 4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.507 -0.898 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.027 -3.098 4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.748 -2.084 5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.436 -2.167 3.662 1.00 0.00 H new ATOM 717 N ILE A 44 -0.734 3.035 2.030 1.00 0.00 N ATOM 718 CA ILE A 44 -1.648 4.082 1.596 1.00 0.00 C ATOM 719 C ILE A 44 -2.268 3.743 0.245 1.00 0.00 C ATOM 720 O ILE A 44 -1.561 3.522 -0.737 1.00 0.00 O ATOM 721 CB ILE A 44 -0.935 5.442 1.500 1.00 0.00 C ATOM 722 CG1 ILE A 44 -0.337 5.816 2.858 1.00 0.00 C ATOM 723 CG2 ILE A 44 -1.903 6.516 1.025 1.00 0.00 C ATOM 724 CD1 ILE A 44 0.470 7.091 2.836 1.00 0.00 C ATOM 0 H ILE A 44 -0.206 2.597 1.275 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.437 4.148 2.345 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.127 5.367 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.144 5.920 3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.299 5.000 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.383 7.472 0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.290 6.248 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.730 6.598 1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.862 7.291 3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.298 6.985 2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.166 7.919 2.523 1.00 0.00 H new ATOM 736 N PHE A 45 -3.596 3.708 0.203 1.00 0.00 N ATOM 737 CA PHE A 45 -4.319 3.400 -1.025 1.00 0.00 C ATOM 738 C PHE A 45 -5.260 4.544 -1.390 1.00 0.00 C ATOM 739 O PHE A 45 -5.768 5.239 -0.511 1.00 0.00 O ATOM 740 CB PHE A 45 -5.108 2.093 -0.873 1.00 0.00 C ATOM 741 CG PHE A 45 -4.247 0.865 -0.738 1.00 0.00 C ATOM 742 CD1 PHE A 45 -3.335 0.742 0.300 1.00 0.00 C ATOM 743 CD2 PHE A 45 -4.360 -0.174 -1.648 1.00 0.00 C ATOM 744 CE1 PHE A 45 -2.552 -0.391 0.424 1.00 0.00 C ATOM 745 CE2 PHE A 45 -3.581 -1.309 -1.528 1.00 0.00 C ATOM 746 CZ PHE A 45 -2.675 -1.418 -0.491 1.00 0.00 C ATOM 0 H PHE A 45 -4.195 3.890 1.008 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.593 3.275 -1.828 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.752 2.170 0.003 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.760 1.973 -1.738 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.235 1.541 1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.066 -0.096 -2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.845 -0.473 1.236 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.680 -2.111 -2.245 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.065 -2.304 -0.396 1.00 0.00 H new ATOM 756 N ALA A 46 -5.485 4.749 -2.687 1.00 0.00 N ATOM 757 CA ALA A 46 -6.364 5.826 -3.136 1.00 0.00 C ATOM 758 C ALA A 46 -7.084 5.470 -4.432 1.00 0.00 C ATOM 759 O ALA A 46 -6.462 5.045 -5.405 1.00 0.00 O ATOM 760 CB ALA A 46 -5.573 7.113 -3.317 1.00 0.00 C ATOM 0 H ALA A 46 -5.076 4.191 -3.437 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.121 5.971 -2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.241 7.907 -3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.119 7.397 -2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.792 6.958 -4.061 1.00 0.00 H new ATOM 766 N GLY A 47 -8.400 5.662 -4.435 1.00 0.00 N ATOM 767 CA GLY A 47 -9.195 5.375 -5.613 1.00 0.00 C ATOM 768 C GLY A 47 -9.377 6.593 -6.498 1.00 0.00 C ATOM 769 O GLY A 47 -9.627 7.692 -6.006 1.00 0.00 O ATOM 0 H GLY A 47 -8.931 6.013 -3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.717 4.581 -6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.172 5.003 -5.307 1.00 0.00 H new ATOM 868 N MET B 1 -2.925 -4.031 11.598 1.00 0.00 N ATOM 869 CA MET B 1 -2.474 -2.664 11.373 1.00 0.00 C ATOM 870 C MET B 1 -3.450 -1.909 10.473 1.00 0.00 C ATOM 871 O MET B 1 -3.625 -2.251 9.302 1.00 0.00 O ATOM 872 CB MET B 1 -1.082 -2.668 10.737 1.00 0.00 C ATOM 873 CG MET B 1 -1.041 -3.355 9.380 1.00 0.00 C ATOM 874 SD MET B 1 0.580 -3.280 8.600 1.00 0.00 S ATOM 875 CE MET B 1 0.191 -3.973 6.995 1.00 0.00 C ATOM 0 H1 MET B 1 -3.249 -4.132 12.581 1.00 0.00 H new ATOM 0 H2 MET B 1 -3.709 -4.249 10.950 1.00 0.00 H new ATOM 0 H3 MET B 1 -2.139 -4.689 11.423 1.00 0.00 H new ATOM 0 HA MET B 1 -2.430 -2.158 12.337 1.00 0.00 H new ATOM 0 HB2 MET B 1 -0.738 -1.640 10.626 1.00 0.00 H new ATOM 0 HB3 MET B 1 -0.384 -3.167 11.410 1.00 0.00 H new ATOM 0 HG2 MET B 1 -1.333 -4.399 9.499 1.00 0.00 H new ATOM 0 HG3 MET B 1 -1.776 -2.891 8.722 1.00 0.00 H new ATOM 0 HE1 MET B 1 0.899 -3.598 6.256 1.00 0.00 H new ATOM 0 HE2 MET B 1 0.257 -5.060 7.042 1.00 0.00 H new ATOM 0 HE3 MET B 1 -0.820 -3.683 6.709 1.00 0.00 H new ATOM 885 N GLN B 2 -4.084 -0.879 11.020 1.00 0.00 N ATOM 886 CA GLN B 2 -5.033 -0.085 10.255 1.00 0.00 C ATOM 887 C GLN B 2 -4.332 0.657 9.123 1.00 0.00 C ATOM 888 O GLN B 2 -3.554 1.585 9.351 1.00 0.00 O ATOM 889 CB GLN B 2 -5.763 0.902 11.171 1.00 0.00 C ATOM 890 CG GLN B 2 -4.837 1.809 11.957 1.00 0.00 C ATOM 891 CD GLN B 2 -5.578 2.656 12.972 1.00 0.00 C ATOM 892 OE1 GLN B 2 -5.482 3.972 12.830 1.00 0.00 O flip ATOM 893 NE2 GLN B 2 -6.231 2.132 13.876 1.00 0.00 N flip ATOM 0 H GLN B 2 -3.958 -0.576 11.986 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.767 -0.761 9.815 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -6.432 1.516 10.568 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -6.386 0.343 11.869 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -4.090 1.203 12.470 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -4.300 2.461 11.267 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -6.278 1.116 13.948 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -6.725 2.715 14.552 1.00 0.00 H new ATOM 902 N ILE B 3 -4.617 0.235 7.899 1.00 0.00 N ATOM 903 CA ILE B 3 -4.033 0.839 6.715 1.00 0.00 C ATOM 904 C ILE B 3 -4.704 2.167 6.389 1.00 0.00 C ATOM 905 O ILE B 3 -5.921 2.305 6.515 1.00 0.00 O ATOM 906 CB ILE B 3 -4.155 -0.100 5.497 1.00 0.00 C ATOM 907 CG1 ILE B 3 -5.622 -0.409 5.200 1.00 0.00 C ATOM 908 CG2 ILE B 3 -3.378 -1.384 5.741 1.00 0.00 C ATOM 909 CD1 ILE B 3 -5.818 -1.263 3.967 1.00 0.00 C ATOM 0 H ILE B 3 -5.258 -0.534 7.702 1.00 0.00 H new ATOM 0 HA ILE B 3 -2.979 1.014 6.930 1.00 0.00 H new ATOM 0 HB ILE B 3 -3.730 0.403 4.629 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -6.060 -0.918 6.059 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -6.165 0.528 5.074 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -3.473 -2.037 4.874 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -2.326 -1.148 5.904 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -3.777 -1.889 6.621 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -6.882 -1.444 3.815 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -5.410 -0.747 3.098 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -5.303 -2.215 4.098 1.00 0.00 H new ATOM 921 N PHE B 4 -3.908 3.138 5.959 1.00 0.00 N ATOM 922 CA PHE B 4 -4.435 4.447 5.603 1.00 0.00 C ATOM 923 C PHE B 4 -4.854 4.449 4.136 1.00 0.00 C ATOM 924 O PHE B 4 -4.100 4.008 3.272 1.00 0.00 O ATOM 925 CB PHE B 4 -3.388 5.540 5.848 1.00 0.00 C ATOM 926 CG PHE B 4 -3.026 5.737 7.296 1.00 0.00 C ATOM 927 CD1 PHE B 4 -2.596 4.673 8.075 1.00 0.00 C ATOM 928 CD2 PHE B 4 -3.110 6.994 7.873 1.00 0.00 C ATOM 929 CE1 PHE B 4 -2.260 4.860 9.402 1.00 0.00 C ATOM 930 CE2 PHE B 4 -2.773 7.187 9.200 1.00 0.00 C ATOM 931 CZ PHE B 4 -2.348 6.119 9.966 1.00 0.00 C ATOM 0 H PHE B 4 -2.898 3.043 5.849 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.302 4.656 6.230 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -2.485 5.293 5.290 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -3.763 6.482 5.448 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -2.523 3.687 7.639 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -3.443 7.833 7.279 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -1.929 4.023 9.998 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -2.842 8.172 9.637 1.00 0.00 H new ATOM 0 HZ PHE B 4 -2.085 6.267 11.003 1.00 0.00 H new ATOM 941 N VAL B 5 -6.061 4.931 3.858 1.00 0.00 N ATOM 942 CA VAL B 5 -6.567 4.963 2.488 1.00 0.00 C ATOM 943 C VAL B 5 -7.510 6.141 2.272 1.00 0.00 C ATOM 944 O VAL B 5 -8.501 6.290 2.985 1.00 0.00 O ATOM 945 CB VAL B 5 -7.324 3.661 2.142 1.00 0.00 C ATOM 946 CG1 VAL B 5 -7.921 3.732 0.745 1.00 0.00 C ATOM 947 CG2 VAL B 5 -6.412 2.453 2.278 1.00 0.00 C ATOM 0 H VAL B 5 -6.704 5.303 4.557 1.00 0.00 H new ATOM 0 HA VAL B 5 -5.699 5.067 1.837 1.00 0.00 H new ATOM 0 HB VAL B 5 -8.143 3.550 2.853 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -8.448 2.803 0.527 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -8.619 4.567 0.690 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -7.124 3.877 0.016 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -6.967 1.548 2.029 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -5.566 2.558 1.599 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -6.048 2.385 3.303 1.00 0.00 H new ATOM 957 N LYS B 6 -7.208 6.966 1.275 1.00 0.00 N ATOM 958 CA LYS B 6 -8.050 8.113 0.968 1.00 0.00 C ATOM 959 C LYS B 6 -9.230 7.685 0.107 1.00 0.00 C ATOM 960 O LYS B 6 -9.048 7.161 -0.992 1.00 0.00 O ATOM 961 CB LYS B 6 -7.252 9.200 0.244 1.00 0.00 C ATOM 962 CG LYS B 6 -6.060 9.718 1.033 1.00 0.00 C ATOM 963 CD LYS B 6 -5.498 10.994 0.422 1.00 0.00 C ATOM 964 CE LYS B 6 -5.091 10.795 -1.029 1.00 0.00 C ATOM 965 NZ LYS B 6 -4.555 12.045 -1.635 1.00 0.00 N ATOM 0 H LYS B 6 -6.393 6.862 0.671 1.00 0.00 H new ATOM 0 HA LYS B 6 -8.419 8.521 1.909 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -6.900 8.805 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -7.916 10.034 0.018 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -6.360 9.908 2.064 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -5.283 8.955 1.063 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -6.244 11.786 0.485 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -4.634 11.324 1.000 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -4.337 10.011 -1.089 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -5.952 10.454 -1.604 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -4.290 11.865 -2.624 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -5.283 12.787 -1.601 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -3.718 12.357 -1.103 1.00 0.00 H new ATOM 979 N THR B 7 -10.440 7.910 0.607 1.00 0.00 N ATOM 980 CA THR B 7 -11.641 7.544 -0.132 1.00 0.00 C ATOM 981 C THR B 7 -11.821 8.447 -1.346 1.00 0.00 C ATOM 982 O THR B 7 -10.872 9.086 -1.800 1.00 0.00 O ATOM 983 CB THR B 7 -12.895 7.631 0.757 1.00 0.00 C ATOM 984 OG1 THR B 7 -13.045 8.963 1.266 1.00 0.00 O ATOM 985 CG2 THR B 7 -12.807 6.649 1.914 1.00 0.00 C ATOM 0 H THR B 7 -10.614 8.341 1.515 1.00 0.00 H new ATOM 0 HA THR B 7 -11.517 6.513 -0.462 1.00 0.00 H new ATOM 0 HB THR B 7 -13.762 7.375 0.148 1.00 0.00 H new ATOM 0 HG1 THR B 7 -12.419 9.102 2.007 1.00 0.00 H new ATOM 0 HG21 THR B 7 -13.704 6.729 2.528 1.00 0.00 H new ATOM 0 HG22 THR B 7 -12.723 5.634 1.525 1.00 0.00 H new ATOM 0 HG23 THR B 7 -11.931 6.879 2.520 1.00 0.00 H new ATOM 993 N LEU B 8 -13.042 8.506 -1.863 1.00 0.00 N ATOM 994 CA LEU B 8 -13.331 9.345 -3.017 1.00 0.00 C ATOM 995 C LEU B 8 -13.563 10.787 -2.583 1.00 0.00 C ATOM 996 O LEU B 8 -13.071 11.722 -3.216 1.00 0.00 O ATOM 997 CB LEU B 8 -14.544 8.817 -3.789 1.00 0.00 C ATOM 998 CG LEU B 8 -14.336 7.468 -4.489 1.00 0.00 C ATOM 999 CD1 LEU B 8 -14.213 6.341 -3.476 1.00 0.00 C ATOM 1000 CD2 LEU B 8 -15.478 7.187 -5.451 1.00 0.00 C ATOM 0 H LEU B 8 -13.843 7.986 -1.504 1.00 0.00 H new ATOM 0 HA LEU B 8 -12.467 9.316 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -15.382 8.724 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -14.828 9.557 -4.538 1.00 0.00 H new ATOM 0 HG LEU B 8 -13.405 7.522 -5.054 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -14.066 5.396 -3.999 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -13.361 6.530 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -15.123 6.288 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -15.315 6.226 -5.939 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -16.419 7.159 -4.901 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -15.521 7.974 -6.204 1.00 0.00 H new ATOM 1012 N THR B 9 -14.309 10.961 -1.496 1.00 0.00 N ATOM 1013 CA THR B 9 -14.601 12.290 -0.974 1.00 0.00 C ATOM 1014 C THR B 9 -13.361 12.917 -0.339 1.00 0.00 C ATOM 1015 O THR B 9 -13.063 14.090 -0.570 1.00 0.00 O ATOM 1016 CB THR B 9 -15.741 12.256 0.063 1.00 0.00 C ATOM 1017 OG1 THR B 9 -15.955 13.567 0.601 1.00 0.00 O ATOM 1018 CG2 THR B 9 -15.428 11.285 1.192 1.00 0.00 C ATOM 0 H THR B 9 -14.722 10.198 -0.960 1.00 0.00 H new ATOM 0 HA THR B 9 -14.917 12.898 -1.822 1.00 0.00 H new ATOM 0 HB THR B 9 -16.645 11.917 -0.442 1.00 0.00 H new ATOM 0 HG1 THR B 9 -16.682 13.536 1.258 1.00 0.00 H new ATOM 0 HG21 THR B 9 -16.250 11.282 1.908 1.00 0.00 H new ATOM 0 HG22 THR B 9 -15.299 10.282 0.784 1.00 0.00 H new ATOM 0 HG23 THR B 9 -14.511 11.594 1.694 1.00 0.00 H new ATOM 1026 N GLY B 10 -12.639 12.133 0.460 1.00 0.00 N ATOM 1027 CA GLY B 10 -11.442 12.642 1.108 1.00 0.00 C ATOM 1028 C GLY B 10 -11.123 11.930 2.410 1.00 0.00 C ATOM 1029 O GLY B 10 -9.957 11.671 2.714 1.00 0.00 O ATOM 0 H GLY B 10 -12.861 11.160 0.669 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.596 12.540 0.428 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -11.567 13.707 1.304 1.00 0.00 H new ATOM 1033 N LYS B 11 -12.161 11.628 3.186 1.00 0.00 N ATOM 1034 CA LYS B 11 -11.993 10.957 4.473 1.00 0.00 C ATOM 1035 C LYS B 11 -11.156 9.690 4.350 1.00 0.00 C ATOM 1036 O LYS B 11 -11.368 8.875 3.452 1.00 0.00 O ATOM 1037 CB LYS B 11 -13.355 10.597 5.069 1.00 0.00 C ATOM 1038 CG LYS B 11 -14.184 9.684 4.178 1.00 0.00 C ATOM 1039 CD LYS B 11 -15.356 9.080 4.933 1.00 0.00 C ATOM 1040 CE LYS B 11 -16.272 8.295 4.009 1.00 0.00 C ATOM 1041 NZ LYS B 11 -17.439 7.723 4.738 1.00 0.00 N ATOM 0 H LYS B 11 -13.130 11.838 2.945 1.00 0.00 H new ATOM 0 HA LYS B 11 -11.470 11.654 5.129 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -13.204 10.112 6.033 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -13.914 11.513 5.257 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -14.554 10.248 3.322 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -13.553 8.886 3.786 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -14.983 8.424 5.720 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -15.923 9.873 5.421 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -16.627 8.946 3.210 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -15.709 7.490 3.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -18.039 7.195 4.073 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -17.102 7.082 5.484 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -17.992 8.493 5.167 1.00 0.00 H new ATOM 1055 N THR B 12 -10.217 9.521 5.275 1.00 0.00 N ATOM 1056 CA THR B 12 -9.364 8.342 5.291 1.00 0.00 C ATOM 1057 C THR B 12 -10.064 7.172 5.961 1.00 0.00 C ATOM 1058 O THR B 12 -10.785 7.346 6.944 1.00 0.00 O ATOM 1059 CB THR B 12 -8.041 8.597 6.027 1.00 0.00 C ATOM 1060 OG1 THR B 12 -8.287 9.244 7.281 1.00 0.00 O ATOM 1061 CG2 THR B 12 -7.097 9.436 5.184 1.00 0.00 C ATOM 0 H THR B 12 -10.029 10.188 6.024 1.00 0.00 H new ATOM 0 HA THR B 12 -9.152 8.106 4.248 1.00 0.00 H new ATOM 0 HB THR B 12 -7.567 7.633 6.210 1.00 0.00 H new ATOM 0 HG1 THR B 12 -7.436 9.400 7.741 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.169 9.600 5.731 1.00 0.00 H new ATOM 0 HG22 THR B 12 -6.881 8.915 4.251 1.00 0.00 H new ATOM 0 HG23 THR B 12 -7.563 10.397 4.963 1.00 0.00 H new ATOM 1069 N ILE B 13 -9.840 5.979 5.432 1.00 0.00 N ATOM 1070 CA ILE B 13 -10.439 4.780 5.986 1.00 0.00 C ATOM 1071 C ILE B 13 -9.383 3.852 6.566 1.00 0.00 C ATOM 1072 O ILE B 13 -8.462 3.423 5.872 1.00 0.00 O ATOM 1073 CB ILE B 13 -11.253 4.018 4.928 1.00 0.00 C ATOM 1074 CG1 ILE B 13 -10.462 3.909 3.624 1.00 0.00 C ATOM 1075 CG2 ILE B 13 -12.587 4.705 4.700 1.00 0.00 C ATOM 1076 CD1 ILE B 13 -11.141 3.058 2.577 1.00 0.00 C ATOM 0 H ILE B 13 -9.246 5.818 4.618 1.00 0.00 H new ATOM 0 HA ILE B 13 -11.108 5.103 6.784 1.00 0.00 H new ATOM 0 HB ILE B 13 -11.446 3.008 5.290 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -10.302 4.909 3.221 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -9.478 3.491 3.839 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -13.155 4.156 3.949 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -13.149 4.728 5.634 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -12.417 5.724 4.353 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -10.524 3.025 1.679 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -11.277 2.047 2.962 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -12.113 3.487 2.334 1.00 0.00 H new ATOM 1088 N THR B 14 -9.537 3.537 7.844 1.00 0.00 N ATOM 1089 CA THR B 14 -8.614 2.648 8.530 1.00 0.00 C ATOM 1090 C THR B 14 -9.039 1.198 8.360 1.00 0.00 C ATOM 1091 O THR B 14 -10.228 0.901 8.243 1.00 0.00 O ATOM 1092 CB THR B 14 -8.508 2.974 10.030 1.00 0.00 C ATOM 1093 OG1 THR B 14 -9.763 3.458 10.521 1.00 0.00 O ATOM 1094 CG2 THR B 14 -7.412 3.997 10.283 1.00 0.00 C ATOM 0 H THR B 14 -10.297 3.886 8.428 1.00 0.00 H new ATOM 0 HA THR B 14 -7.634 2.799 8.077 1.00 0.00 H new ATOM 0 HB THR B 14 -8.251 2.059 10.563 1.00 0.00 H new ATOM 0 HG1 THR B 14 -9.856 4.408 10.300 1.00 0.00 H new ATOM 0 HG21 THR B 14 -7.355 4.213 11.350 1.00 0.00 H new ATOM 0 HG22 THR B 14 -6.457 3.599 9.942 1.00 0.00 H new ATOM 0 HG23 THR B 14 -7.638 4.914 9.739 1.00 0.00 H new ATOM 1102 N LEU B 15 -8.065 0.295 8.336 1.00 0.00 N ATOM 1103 CA LEU B 15 -8.357 -1.120 8.165 1.00 0.00 C ATOM 1104 C LEU B 15 -7.159 -1.973 8.586 1.00 0.00 C ATOM 1105 O LEU B 15 -6.112 -1.952 7.946 1.00 0.00 O ATOM 1106 CB LEU B 15 -8.711 -1.356 6.689 1.00 0.00 C ATOM 1107 CG LEU B 15 -9.101 -2.779 6.289 1.00 0.00 C ATOM 1108 CD1 LEU B 15 -9.678 -2.779 4.883 1.00 0.00 C ATOM 1109 CD2 LEU B 15 -7.903 -3.706 6.352 1.00 0.00 C ATOM 0 H LEU B 15 -7.074 0.517 8.432 1.00 0.00 H new ATOM 0 HA LEU B 15 -9.196 -1.411 8.797 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.535 -0.692 6.428 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -7.856 -1.056 6.083 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.853 -3.140 6.991 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -9.954 -3.796 4.603 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -10.562 -2.141 4.852 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -8.933 -2.400 4.184 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -8.206 -4.712 6.063 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -7.131 -3.350 5.670 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -7.509 -3.723 7.368 1.00 0.00 H new ATOM 1121 N GLU B 16 -7.326 -2.731 9.667 1.00 0.00 N ATOM 1122 CA GLU B 16 -6.262 -3.589 10.174 1.00 0.00 C ATOM 1123 C GLU B 16 -6.204 -4.921 9.430 1.00 0.00 C ATOM 1124 O GLU B 16 -7.221 -5.591 9.251 1.00 0.00 O ATOM 1125 CB GLU B 16 -6.446 -3.833 11.673 1.00 0.00 C ATOM 1126 CG GLU B 16 -7.794 -4.436 12.032 1.00 0.00 C ATOM 1127 CD GLU B 16 -7.942 -4.688 13.520 1.00 0.00 C ATOM 1128 OE1 GLU B 16 -7.168 -5.503 14.064 1.00 0.00 O ATOM 1129 OE2 GLU B 16 -8.826 -4.064 14.143 1.00 0.00 O ATOM 0 H GLU B 16 -8.190 -2.767 10.208 1.00 0.00 H new ATOM 0 HA GLU B 16 -5.317 -3.073 10.005 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -5.656 -4.497 12.024 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -6.328 -2.888 12.203 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -8.587 -3.767 11.700 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -7.923 -5.375 11.494 1.00 0.00 H new ATOM 1136 N VAL B 17 -4.995 -5.300 9.019 1.00 0.00 N ATOM 1137 CA VAL B 17 -4.763 -6.556 8.308 1.00 0.00 C ATOM 1138 C VAL B 17 -3.299 -6.968 8.410 1.00 0.00 C ATOM 1139 O VAL B 17 -2.399 -6.133 8.331 1.00 0.00 O ATOM 1140 CB VAL B 17 -5.150 -6.471 6.819 1.00 0.00 C ATOM 1141 CG1 VAL B 17 -6.652 -6.626 6.639 1.00 0.00 C ATOM 1142 CG2 VAL B 17 -4.670 -5.161 6.218 1.00 0.00 C ATOM 0 H VAL B 17 -4.151 -4.747 9.169 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.400 -7.301 8.786 1.00 0.00 H new ATOM 0 HB VAL B 17 -4.661 -7.291 6.293 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -6.900 -6.562 5.579 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -6.967 -7.594 7.028 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -7.167 -5.833 7.180 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -4.952 -5.118 5.166 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -5.128 -4.327 6.750 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -3.585 -5.096 6.306 1.00 0.00 H new ATOM 1152 N GLU B 18 -3.074 -8.262 8.596 1.00 0.00 N ATOM 1153 CA GLU B 18 -1.725 -8.801 8.723 1.00 0.00 C ATOM 1154 C GLU B 18 -0.891 -8.518 7.476 1.00 0.00 C ATOM 1155 O GLU B 18 -1.398 -8.564 6.355 1.00 0.00 O ATOM 1156 CB GLU B 18 -1.791 -10.306 8.977 1.00 0.00 C ATOM 1157 CG GLU B 18 -2.662 -10.674 10.166 1.00 0.00 C ATOM 1158 CD GLU B 18 -2.727 -12.170 10.403 1.00 0.00 C ATOM 1159 OE1 GLU B 18 -1.664 -12.782 10.637 1.00 0.00 O ATOM 1160 OE2 GLU B 18 -3.843 -12.730 10.355 1.00 0.00 O ATOM 0 H GLU B 18 -3.813 -8.962 8.663 1.00 0.00 H new ATOM 0 HA GLU B 18 -1.242 -8.309 9.567 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -2.175 -10.802 8.086 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.782 -10.685 9.142 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -2.275 -10.185 11.060 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -3.670 -10.292 10.005 1.00 0.00 H new ATOM 1167 N PRO B 19 0.411 -8.226 7.656 1.00 0.00 N ATOM 1168 CA PRO B 19 1.325 -7.940 6.543 1.00 0.00 C ATOM 1169 C PRO B 19 1.435 -9.110 5.576 1.00 0.00 C ATOM 1170 O PRO B 19 1.537 -8.921 4.364 1.00 0.00 O ATOM 1171 CB PRO B 19 2.670 -7.703 7.236 1.00 0.00 C ATOM 1172 CG PRO B 19 2.535 -8.348 8.566 1.00 0.00 C ATOM 1173 CD PRO B 19 1.102 -8.156 8.953 1.00 0.00 C ATOM 0 HA PRO B 19 0.983 -7.097 5.943 1.00 0.00 H new ATOM 0 HB2 PRO B 19 3.490 -8.140 6.667 1.00 0.00 H new ATOM 0 HB3 PRO B 19 2.882 -6.638 7.333 1.00 0.00 H new ATOM 0 HG2 PRO B 19 2.791 -9.406 8.518 1.00 0.00 H new ATOM 0 HG3 PRO B 19 3.204 -7.891 9.295 1.00 0.00 H new ATOM 0 HD2 PRO B 19 0.759 -8.931 9.638 1.00 0.00 H new ATOM 0 HD3 PRO B 19 0.940 -7.199 9.448 1.00 0.00 H new ATOM 1181 N SER B 20 1.417 -10.318 6.125 1.00 0.00 N ATOM 1182 CA SER B 20 1.518 -11.526 5.319 1.00 0.00 C ATOM 1183 C SER B 20 0.320 -11.651 4.385 1.00 0.00 C ATOM 1184 O SER B 20 0.411 -12.270 3.323 1.00 0.00 O ATOM 1185 CB SER B 20 1.612 -12.757 6.221 1.00 0.00 C ATOM 1186 OG SER B 20 2.723 -12.664 7.096 1.00 0.00 O ATOM 0 H SER B 20 1.333 -10.486 7.127 1.00 0.00 H new ATOM 0 HA SER B 20 2.422 -11.461 4.714 1.00 0.00 H new ATOM 0 HB2 SER B 20 0.695 -12.857 6.802 1.00 0.00 H new ATOM 0 HB3 SER B 20 1.701 -13.654 5.609 1.00 0.00 H new ATOM 0 HG SER B 20 2.760 -13.462 7.663 1.00 0.00 H new ATOM 1192 N ASP B 21 -0.800 -11.057 4.784 1.00 0.00 N ATOM 1193 CA ASP B 21 -2.016 -11.099 3.979 1.00 0.00 C ATOM 1194 C ASP B 21 -1.749 -10.537 2.584 1.00 0.00 C ATOM 1195 O ASP B 21 -1.099 -9.501 2.437 1.00 0.00 O ATOM 1196 CB ASP B 21 -3.131 -10.302 4.662 1.00 0.00 C ATOM 1197 CG ASP B 21 -4.461 -10.417 3.939 1.00 0.00 C ATOM 1198 OD1 ASP B 21 -4.531 -11.156 2.936 1.00 0.00 O ATOM 1199 OD2 ASP B 21 -5.434 -9.771 4.381 1.00 0.00 O ATOM 0 H ASP B 21 -0.891 -10.541 5.659 1.00 0.00 H new ATOM 0 HA ASP B 21 -2.333 -12.137 3.883 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -3.248 -10.654 5.687 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -2.841 -9.253 4.716 1.00 0.00 H new ATOM 1204 N THR B 22 -2.248 -11.229 1.566 1.00 0.00 N ATOM 1205 CA THR B 22 -2.059 -10.803 0.185 1.00 0.00 C ATOM 1206 C THR B 22 -2.694 -9.441 -0.065 1.00 0.00 C ATOM 1207 O THR B 22 -3.762 -9.135 0.465 1.00 0.00 O ATOM 1208 CB THR B 22 -2.646 -11.822 -0.807 1.00 0.00 C ATOM 1209 OG1 THR B 22 -4.039 -12.019 -0.543 1.00 0.00 O ATOM 1210 CG2 THR B 22 -1.913 -13.151 -0.709 1.00 0.00 C ATOM 0 H THR B 22 -2.787 -12.088 1.672 1.00 0.00 H new ATOM 0 HA THR B 22 -0.983 -10.733 0.024 1.00 0.00 H new ATOM 0 HB THR B 22 -2.522 -11.428 -1.816 1.00 0.00 H new ATOM 0 HG1 THR B 22 -4.404 -12.668 -1.180 1.00 0.00 H new ATOM 0 HG21 THR B 22 -2.344 -13.857 -1.419 1.00 0.00 H new ATOM 0 HG22 THR B 22 -0.858 -13.003 -0.940 1.00 0.00 H new ATOM 0 HG23 THR B 22 -2.011 -13.547 0.302 1.00 0.00 H new ATOM 1218 N ILE B 23 -2.025 -8.627 -0.874 1.00 0.00 N ATOM 1219 CA ILE B 23 -2.517 -7.293 -1.197 1.00 0.00 C ATOM 1220 C ILE B 23 -3.937 -7.350 -1.752 1.00 0.00 C ATOM 1221 O ILE B 23 -4.771 -6.510 -1.423 1.00 0.00 O ATOM 1222 CB ILE B 23 -1.606 -6.583 -2.219 1.00 0.00 C ATOM 1223 CG1 ILE B 23 -0.175 -6.488 -1.685 1.00 0.00 C ATOM 1224 CG2 ILE B 23 -2.150 -5.197 -2.539 1.00 0.00 C ATOM 1225 CD1 ILE B 23 0.784 -5.798 -2.634 1.00 0.00 C ATOM 0 H ILE B 23 -1.139 -8.868 -1.319 1.00 0.00 H new ATOM 0 HA ILE B 23 -2.514 -6.725 -0.267 1.00 0.00 H new ATOM 0 HB ILE B 23 -1.591 -7.170 -3.138 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -0.185 -5.949 -0.737 1.00 0.00 H new ATOM 0 HG13 ILE B 23 0.193 -7.493 -1.477 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -1.497 -4.708 -3.262 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.152 -5.287 -2.958 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -2.191 -4.603 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE B 23 1.778 -5.768 -2.188 1.00 0.00 H new ATOM 0 HD12 ILE B 23 0.824 -6.348 -3.574 1.00 0.00 H new ATOM 0 HD13 ILE B 23 0.440 -4.781 -2.823 1.00 0.00 H new ATOM 1237 N GLU B 24 -4.202 -8.342 -2.597 1.00 0.00 N ATOM 1238 CA GLU B 24 -5.523 -8.502 -3.199 1.00 0.00 C ATOM 1239 C GLU B 24 -6.612 -8.581 -2.132 1.00 0.00 C ATOM 1240 O GLU B 24 -7.660 -7.947 -2.257 1.00 0.00 O ATOM 1241 CB GLU B 24 -5.559 -9.750 -4.084 1.00 0.00 C ATOM 1242 CG GLU B 24 -5.255 -11.039 -3.336 1.00 0.00 C ATOM 1243 CD GLU B 24 -5.341 -12.264 -4.224 1.00 0.00 C ATOM 1244 OE1 GLU B 24 -4.556 -12.352 -5.190 1.00 0.00 O ATOM 1245 OE2 GLU B 24 -6.195 -13.133 -3.955 1.00 0.00 O ATOM 0 H GLU B 24 -3.521 -9.047 -2.880 1.00 0.00 H new ATOM 0 HA GLU B 24 -5.717 -7.625 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -6.544 -9.831 -4.543 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -4.839 -9.632 -4.893 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -4.256 -10.977 -2.905 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -5.954 -11.147 -2.507 1.00 0.00 H new ATOM 1252 N ASN B 25 -6.362 -9.358 -1.079 1.00 0.00 N ATOM 1253 CA ASN B 25 -7.327 -9.505 0.006 1.00 0.00 C ATOM 1254 C ASN B 25 -7.539 -8.176 0.721 1.00 0.00 C ATOM 1255 O ASN B 25 -8.673 -7.757 0.955 1.00 0.00 O ATOM 1256 CB ASN B 25 -6.855 -10.566 1.003 1.00 0.00 C ATOM 1257 CG ASN B 25 -6.748 -11.952 0.389 1.00 0.00 C ATOM 1258 OD1 ASN B 25 -7.083 -12.070 -0.893 1.00 0.00 O flip ATOM 1259 ND2 ASN B 25 -6.369 -12.910 1.063 1.00 0.00 N flip ATOM 0 H ASN B 25 -5.502 -9.893 -0.956 1.00 0.00 H new ATOM 0 HA ASN B 25 -8.276 -9.824 -0.425 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -5.883 -10.275 1.402 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -7.547 -10.600 1.844 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -6.121 -12.777 2.044 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -6.303 -13.836 0.641 1.00 0.00 H new ATOM 1266 N VAL B 26 -6.436 -7.517 1.059 1.00 0.00 N ATOM 1267 CA VAL B 26 -6.485 -6.228 1.740 1.00 0.00 C ATOM 1268 C VAL B 26 -7.302 -5.212 0.943 1.00 0.00 C ATOM 1269 O VAL B 26 -8.129 -4.490 1.501 1.00 0.00 O ATOM 1270 CB VAL B 26 -5.062 -5.674 1.972 1.00 0.00 C ATOM 1271 CG1 VAL B 26 -5.095 -4.194 2.308 1.00 0.00 C ATOM 1272 CG2 VAL B 26 -4.350 -6.465 3.059 1.00 0.00 C ATOM 0 H VAL B 26 -5.493 -7.856 0.871 1.00 0.00 H new ATOM 0 HA VAL B 26 -6.968 -6.389 2.704 1.00 0.00 H new ATOM 0 HB VAL B 26 -4.501 -5.788 1.044 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -4.078 -3.834 2.466 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -5.551 -3.644 1.485 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -5.679 -4.040 3.215 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -3.349 -6.060 3.208 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -4.913 -6.393 3.990 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -4.277 -7.511 2.760 1.00 0.00 H new ATOM 1282 N LYS B 27 -7.058 -5.162 -0.361 1.00 0.00 N ATOM 1283 CA LYS B 27 -7.761 -4.237 -1.245 1.00 0.00 C ATOM 1284 C LYS B 27 -9.244 -4.583 -1.339 1.00 0.00 C ATOM 1285 O LYS B 27 -10.100 -3.697 -1.343 1.00 0.00 O ATOM 1286 CB LYS B 27 -7.128 -4.266 -2.637 1.00 0.00 C ATOM 1287 CG LYS B 27 -5.645 -3.928 -2.633 1.00 0.00 C ATOM 1288 CD LYS B 27 -5.014 -4.142 -4.001 1.00 0.00 C ATOM 1289 CE LYS B 27 -5.539 -3.150 -5.024 1.00 0.00 C ATOM 1290 NZ LYS B 27 -5.206 -1.748 -4.658 1.00 0.00 N ATOM 0 H LYS B 27 -6.375 -5.754 -0.833 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.674 -3.234 -0.827 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -7.266 -5.257 -3.070 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -7.652 -3.560 -3.281 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.509 -2.890 -2.328 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.133 -4.546 -1.896 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.931 -4.044 -3.922 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -5.218 -5.157 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.117 -3.380 -6.002 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.620 -3.256 -5.110 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.429 -1.119 -5.456 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -5.763 -1.464 -3.827 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.193 -1.679 -4.435 1.00 0.00 H new ATOM 1304 N ALA B 28 -9.540 -5.877 -1.424 1.00 0.00 N ATOM 1305 CA ALA B 28 -10.917 -6.348 -1.529 1.00 0.00 C ATOM 1306 C ALA B 28 -11.760 -5.887 -0.343 1.00 0.00 C ATOM 1307 O ALA B 28 -12.915 -5.494 -0.507 1.00 0.00 O ATOM 1308 CB ALA B 28 -10.947 -7.864 -1.639 1.00 0.00 C ATOM 0 H ALA B 28 -8.841 -6.620 -1.422 1.00 0.00 H new ATOM 0 HA ALA B 28 -11.349 -5.915 -2.431 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -11.980 -8.203 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -10.395 -8.175 -2.526 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -10.487 -8.302 -0.753 1.00 0.00 H new ATOM 1314 N LYS B 29 -11.178 -5.938 0.852 1.00 0.00 N ATOM 1315 CA LYS B 29 -11.875 -5.528 2.060 1.00 0.00 C ATOM 1316 C LYS B 29 -12.219 -4.048 1.997 1.00 0.00 C ATOM 1317 O LYS B 29 -13.265 -3.625 2.485 1.00 0.00 O ATOM 1318 CB LYS B 29 -11.022 -5.832 3.295 1.00 0.00 C ATOM 1319 CG LYS B 29 -11.695 -5.471 4.609 1.00 0.00 C ATOM 1320 CD LYS B 29 -10.879 -5.941 5.804 1.00 0.00 C ATOM 1321 CE LYS B 29 -10.745 -7.455 5.830 1.00 0.00 C ATOM 1322 NZ LYS B 29 -9.952 -7.924 6.999 1.00 0.00 N ATOM 0 H LYS B 29 -10.223 -6.261 1.006 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.804 -6.093 2.136 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.776 -6.894 3.303 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -10.081 -5.288 3.218 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.832 -4.391 4.663 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.687 -5.921 4.646 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -9.888 -5.488 5.769 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.353 -5.601 6.725 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -11.737 -7.906 5.860 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -10.269 -7.793 4.910 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -9.499 -8.832 6.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -9.221 -7.220 7.228 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.581 -8.048 7.818 1.00 0.00 H new ATOM 1336 N ILE B 30 -11.335 -3.268 1.383 1.00 0.00 N ATOM 1337 CA ILE B 30 -11.555 -1.836 1.245 1.00 0.00 C ATOM 1338 C ILE B 30 -12.860 -1.571 0.501 1.00 0.00 C ATOM 1339 O ILE B 30 -13.582 -0.624 0.812 1.00 0.00 O ATOM 1340 CB ILE B 30 -10.393 -1.149 0.505 1.00 0.00 C ATOM 1341 CG1 ILE B 30 -9.066 -1.449 1.206 1.00 0.00 C ATOM 1342 CG2 ILE B 30 -10.633 0.354 0.435 1.00 0.00 C ATOM 1343 CD1 ILE B 30 -7.859 -0.856 0.510 1.00 0.00 C ATOM 0 H ILE B 30 -10.463 -3.604 0.975 1.00 0.00 H new ATOM 0 HA ILE B 30 -11.613 -1.417 2.250 1.00 0.00 H new ATOM 0 HB ILE B 30 -10.341 -1.541 -0.511 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -9.110 -1.066 2.226 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -8.939 -2.529 1.276 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -9.805 0.831 -0.090 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -11.563 0.550 -0.099 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -10.703 0.759 1.445 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -6.957 -1.111 1.066 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -7.788 -1.257 -0.501 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -7.962 0.228 0.464 1.00 0.00 H new ATOM 1355 N GLN B 31 -13.171 -2.431 -0.471 1.00 0.00 N ATOM 1356 CA GLN B 31 -14.404 -2.300 -1.234 1.00 0.00 C ATOM 1357 C GLN B 31 -15.582 -2.407 -0.284 1.00 0.00 C ATOM 1358 O GLN B 31 -16.492 -1.578 -0.298 1.00 0.00 O ATOM 1359 CB GLN B 31 -14.497 -3.389 -2.303 1.00 0.00 C ATOM 1360 CG GLN B 31 -13.337 -3.389 -3.281 1.00 0.00 C ATOM 1361 CD GLN B 31 -13.454 -4.486 -4.320 1.00 0.00 C ATOM 1362 OE1 GLN B 31 -12.483 -5.392 -4.336 1.00 0.00 O flip ATOM 1363 NE2 GLN B 31 -14.408 -4.521 -5.096 1.00 0.00 N flip ATOM 0 H GLN B 31 -12.586 -3.221 -0.744 1.00 0.00 H new ATOM 0 HA GLN B 31 -14.415 -1.332 -1.734 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -14.547 -4.362 -1.814 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -15.427 -3.262 -2.857 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -13.288 -2.422 -3.782 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -12.403 -3.511 -2.732 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -15.131 -3.803 -5.048 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -14.476 -5.268 -5.788 1.00 0.00 H new ATOM 1372 N ASP B 32 -15.532 -3.423 0.569 1.00 0.00 N ATOM 1373 CA ASP B 32 -16.568 -3.633 1.564 1.00 0.00 C ATOM 1374 C ASP B 32 -16.554 -2.464 2.536 1.00 0.00 C ATOM 1375 O ASP B 32 -17.581 -2.067 3.086 1.00 0.00 O ATOM 1376 CB ASP B 32 -16.327 -4.945 2.315 1.00 0.00 C ATOM 1377 CG ASP B 32 -17.417 -5.256 3.324 1.00 0.00 C ATOM 1378 OD1 ASP B 32 -18.396 -4.484 3.402 1.00 0.00 O ATOM 1379 OD2 ASP B 32 -17.291 -6.274 4.035 1.00 0.00 O ATOM 0 H ASP B 32 -14.782 -4.114 0.589 1.00 0.00 H new ATOM 0 HA ASP B 32 -17.539 -3.695 1.073 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -16.260 -5.762 1.597 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -15.367 -4.893 2.829 1.00 0.00 H new ATOM 1384 N LYS B 33 -15.357 -1.922 2.730 1.00 0.00 N ATOM 1385 CA LYS B 33 -15.140 -0.799 3.621 1.00 0.00 C ATOM 1386 C LYS B 33 -15.845 0.454 3.102 1.00 0.00 C ATOM 1387 O LYS B 33 -16.313 1.282 3.884 1.00 0.00 O ATOM 1388 CB LYS B 33 -13.636 -0.553 3.773 1.00 0.00 C ATOM 1389 CG LYS B 33 -13.274 0.294 4.978 1.00 0.00 C ATOM 1390 CD LYS B 33 -13.714 -0.368 6.275 1.00 0.00 C ATOM 1391 CE LYS B 33 -13.454 0.529 7.471 1.00 0.00 C ATOM 1392 NZ LYS B 33 -14.166 1.829 7.348 1.00 0.00 N ATOM 0 H LYS B 33 -14.509 -2.254 2.270 1.00 0.00 H new ATOM 0 HA LYS B 33 -15.564 -1.034 4.597 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -13.126 -1.513 3.849 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -13.264 -0.065 2.872 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -12.197 0.458 4.999 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -13.744 1.274 4.890 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -14.776 -0.606 6.221 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -13.182 -1.311 6.403 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -13.774 0.023 8.382 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -12.383 0.708 7.566 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -14.238 2.275 8.285 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -13.638 2.454 6.706 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -15.120 1.668 6.967 1.00 0.00 H new ATOM 1406 N GLU B 34 -15.929 0.580 1.779 1.00 0.00 N ATOM 1407 CA GLU B 34 -16.591 1.727 1.159 1.00 0.00 C ATOM 1408 C GLU B 34 -17.309 1.308 -0.121 1.00 0.00 C ATOM 1409 O GLU B 34 -18.539 1.311 -0.182 1.00 0.00 O ATOM 1410 CB GLU B 34 -15.576 2.829 0.841 1.00 0.00 C ATOM 1411 CG GLU B 34 -16.201 4.091 0.261 1.00 0.00 C ATOM 1412 CD GLU B 34 -17.129 4.792 1.235 1.00 0.00 C ATOM 1413 OE1 GLU B 34 -18.138 4.178 1.644 1.00 0.00 O ATOM 1414 OE2 GLU B 34 -16.848 5.956 1.588 1.00 0.00 O ATOM 0 H GLU B 34 -15.548 -0.096 1.117 1.00 0.00 H new ATOM 0 HA GLU B 34 -17.325 2.113 1.867 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -15.037 3.088 1.752 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -14.842 2.441 0.135 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -15.409 4.778 -0.037 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -16.756 3.834 -0.641 1.00 0.00 H new ATOM 1421 N GLY B 35 -16.536 0.943 -1.140 1.00 0.00 N ATOM 1422 CA GLY B 35 -17.122 0.521 -2.399 1.00 0.00 C ATOM 1423 C GLY B 35 -16.337 1.005 -3.602 1.00 0.00 C ATOM 1424 O GLY B 35 -16.910 1.546 -4.546 1.00 0.00 O ATOM 0 H GLY B 35 -15.516 0.932 -1.116 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -17.179 -0.567 -2.422 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -18.144 0.895 -2.463 1.00 0.00 H new ATOM 1428 N ILE B 36 -15.022 0.814 -3.567 1.00 0.00 N ATOM 1429 CA ILE B 36 -14.162 1.240 -4.663 1.00 0.00 C ATOM 1430 C ILE B 36 -13.322 0.084 -5.192 1.00 0.00 C ATOM 1431 O ILE B 36 -12.650 -0.603 -4.423 1.00 0.00 O ATOM 1432 CB ILE B 36 -13.202 2.372 -4.240 1.00 0.00 C ATOM 1433 CG1 ILE B 36 -13.472 2.823 -2.801 1.00 0.00 C ATOM 1434 CG2 ILE B 36 -13.313 3.542 -5.198 1.00 0.00 C ATOM 1435 CD1 ILE B 36 -12.992 1.837 -1.755 1.00 0.00 C ATOM 0 H ILE B 36 -14.530 0.368 -2.793 1.00 0.00 H new ATOM 0 HA ILE B 36 -14.831 1.605 -5.443 1.00 0.00 H new ATOM 0 HB ILE B 36 -12.184 1.984 -4.279 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -12.985 3.784 -2.633 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -14.543 2.982 -2.674 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -12.630 4.333 -4.887 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -13.054 3.214 -6.205 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -14.335 3.922 -5.192 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -13.217 2.223 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.498 0.882 -1.896 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -11.916 1.696 -1.855 1.00 0.00 H new ATOM 1447 N PRO B 37 -13.336 -0.140 -6.518 1.00 0.00 N ATOM 1448 CA PRO B 37 -12.556 -1.210 -7.139 1.00 0.00 C ATOM 1449 C PRO B 37 -11.089 -1.154 -6.715 1.00 0.00 C ATOM 1450 O PRO B 37 -10.502 -0.075 -6.636 1.00 0.00 O ATOM 1451 CB PRO B 37 -12.693 -0.932 -8.638 1.00 0.00 C ATOM 1452 CG PRO B 37 -13.975 -0.183 -8.766 1.00 0.00 C ATOM 1453 CD PRO B 37 -14.101 0.637 -7.512 1.00 0.00 C ATOM 0 HA PRO B 37 -12.908 -2.200 -6.850 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -11.853 -0.346 -9.011 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -12.716 -1.858 -9.212 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -13.968 0.454 -9.650 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -14.818 -0.866 -8.872 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -13.689 1.638 -7.643 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -15.142 0.757 -7.213 1.00 0.00 H new ATOM 1461 N PRO B 38 -10.479 -2.316 -6.432 1.00 0.00 N ATOM 1462 CA PRO B 38 -9.078 -2.389 -6.008 1.00 0.00 C ATOM 1463 C PRO B 38 -8.131 -1.792 -7.043 1.00 0.00 C ATOM 1464 O PRO B 38 -7.108 -1.201 -6.694 1.00 0.00 O ATOM 1465 CB PRO B 38 -8.820 -3.892 -5.845 1.00 0.00 C ATOM 1466 CG PRO B 38 -9.918 -4.563 -6.597 1.00 0.00 C ATOM 1467 CD PRO B 38 -11.102 -3.647 -6.498 1.00 0.00 C ATOM 0 HA PRO B 38 -8.902 -1.819 -5.096 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -7.844 -4.169 -6.243 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -8.829 -4.181 -4.794 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -9.636 -4.726 -7.637 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -10.143 -5.540 -6.170 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -11.761 -3.743 -7.361 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -11.703 -3.857 -5.613 1.00 0.00 H new ATOM 1475 N ASP B 39 -8.478 -1.947 -8.316 1.00 0.00 N ATOM 1476 CA ASP B 39 -7.662 -1.422 -9.400 1.00 0.00 C ATOM 1477 C ASP B 39 -7.479 0.082 -9.254 1.00 0.00 C ATOM 1478 O ASP B 39 -6.397 0.615 -9.508 1.00 0.00 O ATOM 1479 CB ASP B 39 -8.303 -1.742 -10.751 1.00 0.00 C ATOM 1480 CG ASP B 39 -8.454 -3.232 -10.983 1.00 0.00 C ATOM 1481 OD1 ASP B 39 -9.153 -3.890 -10.182 1.00 0.00 O ATOM 1482 OD2 ASP B 39 -7.875 -3.743 -11.964 1.00 0.00 O ATOM 0 H ASP B 39 -9.321 -2.433 -8.621 1.00 0.00 H new ATOM 0 HA ASP B 39 -6.683 -1.898 -9.352 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -9.283 -1.268 -10.806 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -7.696 -1.313 -11.548 1.00 0.00 H new ATOM 1487 N GLN B 40 -8.542 0.762 -8.839 1.00 0.00 N ATOM 1488 CA GLN B 40 -8.500 2.203 -8.655 1.00 0.00 C ATOM 1489 C GLN B 40 -7.550 2.574 -7.521 1.00 0.00 C ATOM 1490 O GLN B 40 -6.832 3.571 -7.598 1.00 0.00 O ATOM 1491 CB GLN B 40 -9.904 2.736 -8.376 1.00 0.00 C ATOM 1492 CG GLN B 40 -10.886 2.460 -9.506 1.00 0.00 C ATOM 1493 CD GLN B 40 -12.316 2.831 -9.161 1.00 0.00 C ATOM 1494 OE1 GLN B 40 -12.529 3.318 -7.945 1.00 0.00 O flip ATOM 1495 NE2 GLN B 40 -13.222 2.677 -9.979 1.00 0.00 N flip ATOM 0 H GLN B 40 -9.443 0.335 -8.624 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.127 2.661 -9.571 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -10.281 2.285 -7.458 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.850 3.811 -8.205 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -10.577 3.016 -10.391 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -10.844 1.402 -9.764 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.015 2.299 -10.904 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.180 2.927 -9.732 1.00 0.00 H new ATOM 1504 N GLN B 41 -7.554 1.760 -6.468 1.00 0.00 N ATOM 1505 CA GLN B 41 -6.695 1.988 -5.310 1.00 0.00 C ATOM 1506 C GLN B 41 -5.235 2.115 -5.734 1.00 0.00 C ATOM 1507 O GLN B 41 -4.741 1.314 -6.529 1.00 0.00 O ATOM 1508 CB GLN B 41 -6.838 0.832 -4.319 1.00 0.00 C ATOM 1509 CG GLN B 41 -8.279 0.445 -4.032 1.00 0.00 C ATOM 1510 CD GLN B 41 -9.073 1.560 -3.384 1.00 0.00 C ATOM 1511 OE1 GLN B 41 -9.566 1.306 -2.181 1.00 0.00 O flip ATOM 1512 NE2 GLN B 41 -9.243 2.636 -3.958 1.00 0.00 N flip ATOM 0 H GLN B 41 -8.146 0.933 -6.394 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.004 2.919 -4.835 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -6.309 -0.037 -4.710 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -6.352 1.106 -3.383 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -8.764 0.155 -4.964 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -8.292 -0.429 -3.381 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -8.845 2.788 -4.885 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -9.782 3.375 -3.507 1.00 0.00 H new ATOM 1521 N ARG B 42 -4.548 3.124 -5.206 1.00 0.00 N ATOM 1522 CA ARG B 42 -3.151 3.344 -5.541 1.00 0.00 C ATOM 1523 C ARG B 42 -2.234 2.997 -4.369 1.00 0.00 C ATOM 1524 O ARG B 42 -2.356 3.568 -3.287 1.00 0.00 O ATOM 1525 CB ARG B 42 -2.928 4.797 -5.969 1.00 0.00 C ATOM 1526 CG ARG B 42 -1.492 5.108 -6.365 1.00 0.00 C ATOM 1527 CD ARG B 42 -1.046 4.275 -7.557 1.00 0.00 C ATOM 1528 NE ARG B 42 -1.877 4.516 -8.734 1.00 0.00 N ATOM 1529 CZ ARG B 42 -1.695 3.908 -9.902 1.00 0.00 C ATOM 1530 NH1 ARG B 42 -0.715 3.027 -10.051 1.00 0.00 N ATOM 1531 NH2 ARG B 42 -2.493 4.182 -10.924 1.00 0.00 N ATOM 0 H ARG B 42 -4.937 3.798 -4.547 1.00 0.00 H new ATOM 0 HA ARG B 42 -2.902 2.684 -6.372 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -3.584 5.023 -6.810 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -3.220 5.456 -5.151 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -1.402 6.167 -6.607 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -0.831 4.917 -5.519 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -0.007 4.506 -7.793 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -1.085 3.218 -7.296 1.00 0.00 H new ATOM 0 HE ARG B 42 -2.640 5.189 -8.655 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -0.098 2.814 -9.268 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -0.579 2.563 -10.949 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -3.247 4.860 -10.815 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -2.353 3.715 -11.820 1.00 0.00 H new ATOM 1545 N LEU B 43 -1.309 2.067 -4.598 1.00 0.00 N ATOM 1546 CA LEU B 43 -0.366 1.656 -3.560 1.00 0.00 C ATOM 1547 C LEU B 43 0.621 2.770 -3.241 1.00 0.00 C ATOM 1548 O LEU B 43 1.272 3.311 -4.136 1.00 0.00 O ATOM 1549 CB LEU B 43 0.396 0.396 -3.984 1.00 0.00 C ATOM 1550 CG LEU B 43 -0.347 -0.921 -3.759 1.00 0.00 C ATOM 1551 CD1 LEU B 43 -1.661 -0.939 -4.524 1.00 0.00 C ATOM 1552 CD2 LEU B 43 0.523 -2.101 -4.159 1.00 0.00 C ATOM 0 H LEU B 43 -1.192 1.585 -5.490 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.944 1.436 -2.662 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.643 0.479 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU B 43 1.339 0.360 -3.439 1.00 0.00 H new ATOM 0 HG LEU B 43 -0.573 -1.006 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -2.171 -1.886 -4.348 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -2.292 -0.118 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -1.463 -0.826 -5.590 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -0.023 -3.029 -3.991 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.784 -2.019 -5.214 1.00 0.00 H new ATOM 0 HD23 LEU B 43 1.433 -2.102 -3.559 1.00 0.00 H new ATOM 1564 N ILE B 44 0.730 3.103 -1.960 1.00 0.00 N ATOM 1565 CA ILE B 44 1.641 4.148 -1.517 1.00 0.00 C ATOM 1566 C ILE B 44 2.253 3.803 -0.164 1.00 0.00 C ATOM 1567 O ILE B 44 1.539 3.588 0.815 1.00 0.00 O ATOM 1568 CB ILE B 44 0.929 5.509 -1.425 1.00 0.00 C ATOM 1569 CG1 ILE B 44 0.345 5.887 -2.787 1.00 0.00 C ATOM 1570 CG2 ILE B 44 1.894 6.581 -0.937 1.00 0.00 C ATOM 1571 CD1 ILE B 44 -0.459 7.165 -2.772 1.00 0.00 C ATOM 0 H ILE B 44 0.197 2.663 -1.210 1.00 0.00 H new ATOM 0 HA ILE B 44 2.435 4.217 -2.260 1.00 0.00 H new ATOM 0 HB ILE B 44 0.113 5.433 -0.706 1.00 0.00 H new ATOM 0 HG12 ILE B 44 1.159 5.989 -3.505 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -0.290 5.073 -3.138 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.375 7.538 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.270 6.310 0.050 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.728 6.664 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -0.840 7.367 -3.773 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -1.294 7.061 -2.080 1.00 0.00 H new ATOM 0 HD13 ILE B 44 0.176 7.991 -2.452 1.00 0.00 H new ATOM 1583 N PHE B 45 3.580 3.751 -0.118 1.00 0.00 N ATOM 1584 CA PHE B 45 4.297 3.433 1.112 1.00 0.00 C ATOM 1585 C PHE B 45 5.235 4.571 1.493 1.00 0.00 C ATOM 1586 O PHE B 45 5.788 5.241 0.622 1.00 0.00 O ATOM 1587 CB PHE B 45 5.091 2.131 0.955 1.00 0.00 C ATOM 1588 CG PHE B 45 4.235 0.901 0.816 1.00 0.00 C ATOM 1589 CD1 PHE B 45 3.320 0.783 -0.220 1.00 0.00 C ATOM 1590 CD2 PHE B 45 4.353 -0.143 1.720 1.00 0.00 C ATOM 1591 CE1 PHE B 45 2.540 -0.350 -0.349 1.00 0.00 C ATOM 1592 CE2 PHE B 45 3.576 -1.278 1.595 1.00 0.00 C ATOM 1593 CZ PHE B 45 2.667 -1.381 0.559 1.00 0.00 C ATOM 0 H PHE B 45 4.183 3.926 -0.922 1.00 0.00 H new ATOM 0 HA PHE B 45 3.563 3.301 1.907 1.00 0.00 H new ATOM 0 HB2 PHE B 45 5.734 2.214 0.079 1.00 0.00 H new ATOM 0 HB3 PHE B 45 5.744 2.010 1.819 1.00 0.00 H new ATOM 0 HD1 PHE B 45 3.216 1.586 -0.934 1.00 0.00 H new ATOM 0 HD2 PHE B 45 5.061 -0.068 2.532 1.00 0.00 H new ATOM 0 HE1 PHE B 45 1.831 -0.429 -1.160 1.00 0.00 H new ATOM 0 HE2 PHE B 45 3.679 -2.084 2.306 1.00 0.00 H new ATOM 0 HZ PHE B 45 2.057 -2.267 0.460 1.00 0.00 H new ATOM 1603 N ALA B 46 5.410 4.796 2.792 1.00 0.00 N ATOM 1604 CA ALA B 46 6.286 5.869 3.254 1.00 0.00 C ATOM 1605 C ALA B 46 6.954 5.520 4.579 1.00 0.00 C ATOM 1606 O ALA B 46 6.292 5.136 5.541 1.00 0.00 O ATOM 1607 CB ALA B 46 5.504 7.166 3.385 1.00 0.00 C ATOM 0 H ALA B 46 4.964 4.258 3.535 1.00 0.00 H new ATOM 0 HA ALA B 46 7.073 5.998 2.511 1.00 0.00 H new ATOM 0 HB1 ALA B 46 6.168 7.958 3.730 1.00 0.00 H new ATOM 0 HB2 ALA B 46 5.087 7.439 2.416 1.00 0.00 H new ATOM 0 HB3 ALA B 46 4.695 7.032 4.103 1.00 0.00 H new ATOM 1613 N GLY B 47 8.276 5.667 4.617 1.00 0.00 N ATOM 1614 CA GLY B 47 9.026 5.377 5.824 1.00 0.00 C ATOM 1615 C GLY B 47 9.263 6.616 6.666 1.00 0.00 C ATOM 1616 O GLY B 47 9.586 7.679 6.136 1.00 0.00 O ATOM 0 H GLY B 47 8.842 5.983 3.829 1.00 0.00 H new ATOM 0 HA2 GLY B 47 8.487 4.636 6.415 1.00 0.00 H new ATOM 0 HA3 GLY B 47 9.985 4.934 5.556 1.00 0.00 H new