USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=30 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 29 LYS NZ :NH3+ -153:sc= -2.9 (180deg=-0.229) USER MOD Set 1.2: B 33 LYS NZ :NH3+ -144:sc= -2.3 (180deg=-0.163) USER MOD Set 2.1: B 22 THR OG1 : rot 180:sc= -0.662 USER MOD Set 2.2: B 25 ASN :FLIP amide:sc= -2.14! C(o=-6!,f=-2.8!) USER MOD Set 3.1: A 29 LYS NZ :NH3+ -164:sc= -3.16! (180deg=-0.198) USER MOD Set 3.2: A 33 LYS NZ :NH3+ -153:sc= -2.55 (180deg=-0.163) USER MOD Set 4.1: A 22 THR OG1 : rot 180:sc= -0.864 USER MOD Set 4.2: A 25 ASN :FLIP amide:sc= -2 F(o=-6.1!,f=-2.9) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.319 (180deg=-1.9) USER MOD Single : A 1 MET N :NH3+ 171:sc=-0.00869 (180deg=-0.0859) USER MOD Single : A 2 GLN : amide:sc= -2.38! C(o=-2.4!,f=-2.9!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 170:sc= -0.616 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= -0.0221 (180deg=-0.168) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0249 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= -7.25! (180deg=-7.96!) USER MOD Single : A 31 GLN : amide:sc= -7.43! C(o=-7.4!,f=-7.3!) USER MOD Single : A 40 GLN :FLIP amide:sc= -8.94! C(o=-14!,f=-8.9!) USER MOD Single : A 41 GLN :FLIP amide:sc= -5.47! C(o=-7.5!,f=-5.5!) USER MOD Single : B 1 MET CE :methyl -153:sc= -0.231 (180deg=-2.3!) USER MOD Single : B 1 MET N :NH3+ 148:sc= -0.0454 (180deg=-0.208) USER MOD Single : B 2 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.33) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1 : rot 170:sc= -0.675 USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ -168:sc=-0.00934 (180deg=-0.19) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0.0724 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 27 LYS NZ :NH3+ 170:sc= -7.3! (180deg=-7.67!) USER MOD Single : B 31 GLN : amide:sc= -6.44! C(o=-6.4!,f=-6.7!) USER MOD Single : B 40 GLN :FLIP amide:sc= -7.33! C(o=-12!,f=-7.3!) USER MOD Single : B 41 GLN :FLIP amide:sc= -5.86 F(o=-7.8!,f=-5.9) USER MOD ----------------------------------------------------------------- ATOM 21 N MET A 1 2.028 -4.464 -11.646 1.00 0.00 N ATOM 22 CA MET A 1 1.458 -3.176 -11.262 1.00 0.00 C ATOM 23 C MET A 1 2.486 -2.307 -10.543 1.00 0.00 C ATOM 24 O MET A 1 2.954 -2.641 -9.455 1.00 0.00 O ATOM 25 CB MET A 1 0.231 -3.373 -10.369 1.00 0.00 C ATOM 26 CG MET A 1 0.493 -4.250 -9.156 1.00 0.00 C ATOM 27 SD MET A 1 -0.890 -4.269 -8.002 1.00 0.00 S ATOM 28 CE MET A 1 -0.888 -2.563 -7.458 1.00 0.00 C ATOM 0 H1 MET A 1 1.272 -5.088 -11.993 1.00 0.00 H new ATOM 0 H2 MET A 1 2.732 -4.322 -12.398 1.00 0.00 H new ATOM 0 H3 MET A 1 2.486 -4.901 -10.821 1.00 0.00 H new ATOM 0 HA MET A 1 1.155 -2.666 -12.176 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.123 -2.398 -10.032 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.570 -3.816 -10.960 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.700 -5.268 -9.486 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.386 -3.894 -8.641 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.422 -2.482 -6.511 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.140 -2.225 -7.324 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.380 -1.942 -8.207 1.00 0.00 H new ATOM 38 N GLN A 2 2.823 -1.188 -11.169 1.00 0.00 N ATOM 39 CA GLN A 2 3.787 -0.246 -10.618 1.00 0.00 C ATOM 40 C GLN A 2 3.180 0.511 -9.434 1.00 0.00 C ATOM 41 O GLN A 2 2.036 0.964 -9.499 1.00 0.00 O ATOM 42 CB GLN A 2 4.210 0.722 -11.723 1.00 0.00 C ATOM 43 CG GLN A 2 5.633 1.225 -11.593 1.00 0.00 C ATOM 44 CD GLN A 2 6.090 1.975 -12.829 1.00 0.00 C ATOM 45 OE1 GLN A 2 5.469 2.955 -13.240 1.00 0.00 O ATOM 46 NE2 GLN A 2 7.183 1.517 -13.429 1.00 0.00 N ATOM 0 H GLN A 2 2.437 -0.908 -12.071 1.00 0.00 H new ATOM 0 HA GLN A 2 4.661 -0.784 -10.251 1.00 0.00 H new ATOM 0 HB2 GLN A 2 4.098 0.227 -12.688 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.533 1.576 -11.722 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.707 1.880 -10.725 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.300 0.382 -11.414 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.667 0.701 -13.054 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.539 1.981 -14.265 1.00 0.00 H new ATOM 55 N ILE A 3 3.942 0.631 -8.346 1.00 0.00 N ATOM 56 CA ILE A 3 3.465 1.316 -7.146 1.00 0.00 C ATOM 57 C ILE A 3 4.304 2.547 -6.817 1.00 0.00 C ATOM 58 O ILE A 3 5.519 2.559 -7.017 1.00 0.00 O ATOM 59 CB ILE A 3 3.472 0.382 -5.917 1.00 0.00 C ATOM 60 CG1 ILE A 3 4.902 -0.008 -5.538 1.00 0.00 C ATOM 61 CG2 ILE A 3 2.637 -0.858 -6.188 1.00 0.00 C ATOM 62 CD1 ILE A 3 4.981 -0.891 -4.311 1.00 0.00 C ATOM 0 H ILE A 3 4.890 0.263 -8.272 1.00 0.00 H new ATOM 0 HA ILE A 3 2.444 1.625 -7.367 1.00 0.00 H new ATOM 0 HB ILE A 3 3.032 0.920 -5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.364 -0.525 -6.379 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.483 0.897 -5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.653 -1.506 -5.312 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.610 -0.565 -6.404 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.049 -1.394 -7.043 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.024 -1.129 -4.100 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.548 -0.368 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.428 -1.813 -4.490 1.00 0.00 H new ATOM 74 N PHE A 4 3.642 3.574 -6.289 1.00 0.00 N ATOM 75 CA PHE A 4 4.317 4.807 -5.902 1.00 0.00 C ATOM 76 C PHE A 4 4.792 4.703 -4.456 1.00 0.00 C ATOM 77 O PHE A 4 4.044 4.261 -3.584 1.00 0.00 O ATOM 78 CB PHE A 4 3.379 6.010 -6.055 1.00 0.00 C ATOM 79 CG PHE A 4 2.934 6.272 -7.469 1.00 0.00 C ATOM 80 CD1 PHE A 4 2.328 5.277 -8.221 1.00 0.00 C ATOM 81 CD2 PHE A 4 3.116 7.521 -8.041 1.00 0.00 C ATOM 82 CE1 PHE A 4 1.915 5.522 -9.517 1.00 0.00 C ATOM 83 CE2 PHE A 4 2.705 7.772 -9.337 1.00 0.00 C ATOM 84 CZ PHE A 4 2.105 6.771 -10.075 1.00 0.00 C ATOM 0 H PHE A 4 2.636 3.575 -6.120 1.00 0.00 H new ATOM 0 HA PHE A 4 5.176 4.952 -6.557 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.498 5.851 -5.433 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.882 6.899 -5.674 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.177 4.299 -7.789 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.584 8.307 -7.468 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.445 4.738 -10.092 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.853 8.750 -9.772 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.784 6.965 -11.088 1.00 0.00 H new ATOM 94 N VAL A 5 6.036 5.098 -4.202 1.00 0.00 N ATOM 95 CA VAL A 5 6.589 5.027 -2.852 1.00 0.00 C ATOM 96 C VAL A 5 7.535 6.189 -2.566 1.00 0.00 C ATOM 97 O VAL A 5 8.368 6.551 -3.397 1.00 0.00 O ATOM 98 CB VAL A 5 7.341 3.700 -2.619 1.00 0.00 C ATOM 99 CG1 VAL A 5 8.004 3.687 -1.249 1.00 0.00 C ATOM 100 CG2 VAL A 5 6.402 2.514 -2.772 1.00 0.00 C ATOM 0 H VAL A 5 6.676 5.467 -4.905 1.00 0.00 H new ATOM 0 HA VAL A 5 5.741 5.085 -2.170 1.00 0.00 H new ATOM 0 HB VAL A 5 8.122 3.617 -3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.528 2.742 -1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.715 4.510 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.244 3.800 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.954 1.589 -2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.595 2.593 -2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.984 2.509 -3.778 1.00 0.00 H new ATOM 110 N LYS A 6 7.398 6.760 -1.374 1.00 0.00 N ATOM 111 CA LYS A 6 8.233 7.876 -0.945 1.00 0.00 C ATOM 112 C LYS A 6 9.467 7.367 -0.207 1.00 0.00 C ATOM 113 O LYS A 6 9.369 6.488 0.649 1.00 0.00 O ATOM 114 CB LYS A 6 7.434 8.818 -0.040 1.00 0.00 C ATOM 115 CG LYS A 6 8.230 10.022 0.444 1.00 0.00 C ATOM 116 CD LYS A 6 7.402 10.914 1.358 1.00 0.00 C ATOM 117 CE LYS A 6 6.200 11.502 0.634 1.00 0.00 C ATOM 118 NZ LYS A 6 5.389 12.378 1.524 1.00 0.00 N ATOM 0 H LYS A 6 6.709 6.465 -0.682 1.00 0.00 H new ATOM 0 HA LYS A 6 8.556 8.424 -1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.555 9.168 -0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.075 8.259 0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.118 9.681 0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.574 10.600 -0.414 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.062 10.338 2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.026 11.721 1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.541 12.076 -0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.575 10.694 0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.580 12.759 0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.042 11.825 2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.978 13.163 1.868 1.00 0.00 H new ATOM 132 N THR A 7 10.627 7.919 -0.546 1.00 0.00 N ATOM 133 CA THR A 7 11.877 7.511 0.085 1.00 0.00 C ATOM 134 C THR A 7 11.960 7.998 1.530 1.00 0.00 C ATOM 135 O THR A 7 10.941 8.261 2.169 1.00 0.00 O ATOM 136 CB THR A 7 13.096 8.033 -0.697 1.00 0.00 C ATOM 137 OG1 THR A 7 13.060 9.464 -0.764 1.00 0.00 O ATOM 138 CG2 THR A 7 13.126 7.454 -2.103 1.00 0.00 C ATOM 0 H THR A 7 10.728 8.648 -1.252 1.00 0.00 H new ATOM 0 HA THR A 7 11.890 6.421 0.078 1.00 0.00 H new ATOM 0 HB THR A 7 13.998 7.718 -0.173 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.911 9.796 -1.118 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.996 7.837 -2.636 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.184 6.367 -2.048 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.219 7.742 -2.635 1.00 0.00 H new ATOM 146 N LEU A 8 13.185 8.110 2.038 1.00 0.00 N ATOM 147 CA LEU A 8 13.415 8.557 3.407 1.00 0.00 C ATOM 148 C LEU A 8 12.977 10.007 3.604 1.00 0.00 C ATOM 149 O LEU A 8 12.057 10.284 4.374 1.00 0.00 O ATOM 150 CB LEU A 8 14.896 8.401 3.756 1.00 0.00 C ATOM 151 CG LEU A 8 15.382 6.953 3.867 1.00 0.00 C ATOM 152 CD1 LEU A 8 16.890 6.879 3.739 1.00 0.00 C ATOM 153 CD2 LEU A 8 14.934 6.343 5.180 1.00 0.00 C ATOM 0 H LEU A 8 14.036 7.896 1.518 1.00 0.00 H new ATOM 0 HA LEU A 8 12.815 7.937 4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.489 8.911 2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.087 8.907 4.703 1.00 0.00 H new ATOM 0 HG LEU A 8 14.941 6.383 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 8 17.212 5.841 3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 8 17.193 7.277 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 8 17.352 7.466 4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.288 5.314 5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.346 6.919 6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.845 6.356 5.235 1.00 0.00 H new ATOM 165 N THR A 9 13.637 10.928 2.906 1.00 0.00 N ATOM 166 CA THR A 9 13.305 12.344 3.013 1.00 0.00 C ATOM 167 C THR A 9 12.048 12.675 2.215 1.00 0.00 C ATOM 168 O THR A 9 11.160 13.377 2.698 1.00 0.00 O ATOM 169 CB THR A 9 14.466 13.235 2.531 1.00 0.00 C ATOM 170 OG1 THR A 9 14.080 14.615 2.585 1.00 0.00 O ATOM 171 CG2 THR A 9 14.880 12.875 1.112 1.00 0.00 C ATOM 0 H THR A 9 14.401 10.719 2.263 1.00 0.00 H new ATOM 0 HA THR A 9 13.123 12.548 4.068 1.00 0.00 H new ATOM 0 HB THR A 9 15.317 13.068 3.191 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.824 15.175 2.279 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.701 13.520 0.798 1.00 0.00 H new ATOM 0 HG22 THR A 9 15.203 11.834 1.080 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.033 13.013 0.440 1.00 0.00 H new ATOM 179 N GLY A 10 11.981 12.159 0.992 1.00 0.00 N ATOM 180 CA GLY A 10 10.829 12.402 0.144 1.00 0.00 C ATOM 181 C GLY A 10 11.160 12.269 -1.329 1.00 0.00 C ATOM 182 O GLY A 10 11.839 13.126 -1.898 1.00 0.00 O ATOM 0 H GLY A 10 12.705 11.576 0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.037 11.699 0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.442 13.402 0.338 1.00 0.00 H new ATOM 186 N LYS A 11 10.678 11.198 -1.948 1.00 0.00 N ATOM 187 CA LYS A 11 10.925 10.960 -3.366 1.00 0.00 C ATOM 188 C LYS A 11 10.019 9.856 -3.898 1.00 0.00 C ATOM 189 O LYS A 11 9.968 8.760 -3.339 1.00 0.00 O ATOM 190 CB LYS A 11 12.390 10.584 -3.594 1.00 0.00 C ATOM 191 CG LYS A 11 12.735 10.335 -5.056 1.00 0.00 C ATOM 192 CD LYS A 11 14.180 9.888 -5.224 1.00 0.00 C ATOM 193 CE LYS A 11 15.157 10.941 -4.725 1.00 0.00 C ATOM 194 NZ LYS A 11 15.013 12.227 -5.462 1.00 0.00 N ATOM 0 H LYS A 11 10.114 10.481 -1.491 1.00 0.00 H new ATOM 0 HA LYS A 11 10.704 11.880 -3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.025 11.382 -3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.621 9.688 -3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.069 9.574 -5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.567 11.246 -5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.339 8.957 -4.679 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.376 9.679 -6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.994 11.112 -3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.176 10.572 -4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.810 12.853 -5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.008 12.042 -6.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.120 12.686 -5.189 1.00 0.00 H new ATOM 208 N THR A 12 9.316 10.145 -4.987 1.00 0.00 N ATOM 209 CA THR A 12 8.423 9.169 -5.599 1.00 0.00 C ATOM 210 C THR A 12 9.223 8.087 -6.317 1.00 0.00 C ATOM 211 O THR A 12 10.157 8.387 -7.059 1.00 0.00 O ATOM 212 CB THR A 12 7.465 9.836 -6.604 1.00 0.00 C ATOM 213 OG1 THR A 12 6.681 10.837 -5.944 1.00 0.00 O ATOM 214 CG2 THR A 12 6.543 8.807 -7.243 1.00 0.00 C ATOM 0 H THR A 12 9.347 11.046 -5.464 1.00 0.00 H new ATOM 0 HA THR A 12 7.836 8.721 -4.797 1.00 0.00 H new ATOM 0 HB THR A 12 8.065 10.299 -7.387 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.076 11.257 -6.590 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.877 9.304 -7.948 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.139 8.062 -7.770 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.952 8.318 -6.469 1.00 0.00 H new ATOM 222 N ILE A 13 8.856 6.827 -6.094 1.00 0.00 N ATOM 223 CA ILE A 13 9.553 5.717 -6.730 1.00 0.00 C ATOM 224 C ILE A 13 8.561 4.693 -7.276 1.00 0.00 C ATOM 225 O ILE A 13 7.592 4.328 -6.608 1.00 0.00 O ATOM 226 CB ILE A 13 10.527 5.012 -5.752 1.00 0.00 C ATOM 227 CG1 ILE A 13 9.794 3.956 -4.920 1.00 0.00 C ATOM 228 CG2 ILE A 13 11.189 6.031 -4.837 1.00 0.00 C ATOM 229 CD1 ILE A 13 10.661 3.281 -3.881 1.00 0.00 C ATOM 0 H ILE A 13 8.087 6.553 -5.483 1.00 0.00 H new ATOM 0 HA ILE A 13 10.132 6.138 -7.552 1.00 0.00 H new ATOM 0 HB ILE A 13 11.297 4.513 -6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.946 4.425 -4.421 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.390 3.197 -5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.870 5.520 -4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.747 6.750 -5.437 1.00 0.00 H new ATOM 0 HG23 ILE A 13 10.425 6.554 -4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.069 2.547 -3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 13 11.495 2.781 -4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.045 4.028 -3.186 1.00 0.00 H new ATOM 241 N THR A 14 8.811 4.233 -8.494 1.00 0.00 N ATOM 242 CA THR A 14 7.950 3.249 -9.131 1.00 0.00 C ATOM 243 C THR A 14 8.417 1.831 -8.823 1.00 0.00 C ATOM 244 O THR A 14 9.616 1.574 -8.717 1.00 0.00 O ATOM 245 CB THR A 14 7.893 3.453 -10.653 1.00 0.00 C ATOM 246 OG1 THR A 14 9.193 3.781 -11.157 1.00 0.00 O ATOM 247 CG2 THR A 14 6.901 4.548 -11.009 1.00 0.00 C ATOM 0 H THR A 14 9.606 4.527 -9.061 1.00 0.00 H new ATOM 0 HA THR A 14 6.949 3.390 -8.724 1.00 0.00 H new ATOM 0 HB THR A 14 7.560 2.523 -11.114 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.145 3.907 -12.128 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.875 4.678 -12.091 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.909 4.270 -10.653 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.207 5.483 -10.539 1.00 0.00 H new ATOM 255 N LEU A 15 7.464 0.915 -8.671 1.00 0.00 N ATOM 256 CA LEU A 15 7.793 -0.472 -8.363 1.00 0.00 C ATOM 257 C LEU A 15 6.638 -1.416 -8.697 1.00 0.00 C ATOM 258 O LEU A 15 5.581 -1.375 -8.072 1.00 0.00 O ATOM 259 CB LEU A 15 8.154 -0.584 -6.878 1.00 0.00 C ATOM 260 CG LEU A 15 8.096 -1.993 -6.280 1.00 0.00 C ATOM 261 CD1 LEU A 15 8.978 -2.956 -7.057 1.00 0.00 C ATOM 262 CD2 LEU A 15 8.498 -1.957 -4.814 1.00 0.00 C ATOM 0 H LEU A 15 6.466 1.107 -8.755 1.00 0.00 H new ATOM 0 HA LEU A 15 8.643 -0.769 -8.978 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.161 -0.192 -6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.481 0.059 -6.311 1.00 0.00 H new ATOM 0 HG LEU A 15 7.070 -2.353 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.916 -3.948 -6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.641 -3.004 -8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.011 -2.608 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.453 -2.964 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.514 -1.573 -4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.815 -1.308 -4.265 1.00 0.00 H new ATOM 274 N GLU A 16 6.864 -2.281 -9.678 1.00 0.00 N ATOM 275 CA GLU A 16 5.862 -3.252 -10.095 1.00 0.00 C ATOM 276 C GLU A 16 5.932 -4.506 -9.226 1.00 0.00 C ATOM 277 O GLU A 16 7.014 -5.049 -8.995 1.00 0.00 O ATOM 278 CB GLU A 16 6.071 -3.611 -11.568 1.00 0.00 C ATOM 279 CG GLU A 16 7.452 -4.174 -11.863 1.00 0.00 C ATOM 280 CD GLU A 16 7.704 -4.363 -13.346 1.00 0.00 C ATOM 281 OE1 GLU A 16 6.816 -4.017 -14.149 1.00 0.00 O ATOM 282 OE2 GLU A 16 8.796 -4.853 -13.703 1.00 0.00 O ATOM 0 H GLU A 16 7.738 -2.329 -10.202 1.00 0.00 H new ATOM 0 HA GLU A 16 4.873 -2.810 -9.973 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.318 -4.340 -11.867 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.912 -2.721 -12.177 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.208 -3.504 -11.453 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.565 -5.132 -11.355 1.00 0.00 H new ATOM 289 N VAL A 17 4.777 -4.961 -8.748 1.00 0.00 N ATOM 290 CA VAL A 17 4.710 -6.151 -7.901 1.00 0.00 C ATOM 291 C VAL A 17 3.373 -6.866 -8.062 1.00 0.00 C ATOM 292 O VAL A 17 2.333 -6.230 -8.218 1.00 0.00 O ATOM 293 CB VAL A 17 4.912 -5.806 -6.412 1.00 0.00 C ATOM 294 CG1 VAL A 17 6.296 -5.237 -6.171 1.00 0.00 C ATOM 295 CG2 VAL A 17 3.854 -4.830 -5.938 1.00 0.00 C ATOM 0 H VAL A 17 3.874 -4.524 -8.932 1.00 0.00 H new ATOM 0 HA VAL A 17 5.518 -6.807 -8.225 1.00 0.00 H new ATOM 0 HB VAL A 17 4.815 -6.728 -5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.414 -5.002 -5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.047 -5.970 -6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.424 -4.329 -6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.016 -4.601 -4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.917 -3.912 -6.523 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.867 -5.274 -6.065 1.00 0.00 H new ATOM 305 N GLU A 18 3.410 -8.191 -8.027 1.00 0.00 N ATOM 306 CA GLU A 18 2.204 -8.995 -8.173 1.00 0.00 C ATOM 307 C GLU A 18 1.273 -8.813 -6.975 1.00 0.00 C ATOM 308 O GLU A 18 1.722 -8.791 -5.830 1.00 0.00 O ATOM 309 CB GLU A 18 2.573 -10.471 -8.328 1.00 0.00 C ATOM 310 CG GLU A 18 3.540 -10.733 -9.471 1.00 0.00 C ATOM 311 CD GLU A 18 3.892 -12.200 -9.614 1.00 0.00 C ATOM 312 OE1 GLU A 18 2.970 -13.013 -9.836 1.00 0.00 O ATOM 313 OE2 GLU A 18 5.090 -12.536 -9.506 1.00 0.00 O ATOM 0 H GLU A 18 4.264 -8.733 -7.898 1.00 0.00 H new ATOM 0 HA GLU A 18 1.679 -8.659 -9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.016 -10.827 -7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.664 -11.050 -8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.100 -10.377 -10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.452 -10.159 -9.309 1.00 0.00 H new ATOM 320 N PRO A 19 -0.043 -8.685 -7.223 1.00 0.00 N ATOM 321 CA PRO A 19 -1.038 -8.513 -6.159 1.00 0.00 C ATOM 322 C PRO A 19 -1.045 -9.692 -5.195 1.00 0.00 C ATOM 323 O PRO A 19 -1.235 -9.523 -3.989 1.00 0.00 O ATOM 324 CB PRO A 19 -2.365 -8.431 -6.919 1.00 0.00 C ATOM 325 CG PRO A 19 -2.091 -9.068 -8.230 1.00 0.00 C ATOM 326 CD PRO A 19 -0.675 -8.707 -8.553 1.00 0.00 C ATOM 0 HA PRO A 19 -0.836 -7.637 -5.543 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.160 -8.952 -6.385 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.688 -7.397 -7.041 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.220 -10.149 -8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.775 -8.703 -8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.209 -9.440 -9.212 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.606 -7.740 -9.052 1.00 0.00 H new ATOM 334 N SER A 20 -0.827 -10.885 -5.736 1.00 0.00 N ATOM 335 CA SER A 20 -0.797 -12.098 -4.933 1.00 0.00 C ATOM 336 C SER A 20 0.369 -12.057 -3.955 1.00 0.00 C ATOM 337 O SER A 20 0.317 -12.661 -2.884 1.00 0.00 O ATOM 338 CB SER A 20 -0.684 -13.331 -5.832 1.00 0.00 C ATOM 339 OG SER A 20 0.498 -13.287 -6.613 1.00 0.00 O ATOM 0 H SER A 20 -0.668 -11.037 -6.732 1.00 0.00 H new ATOM 0 HA SER A 20 -1.727 -12.160 -4.368 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.685 -14.233 -5.220 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.554 -13.389 -6.486 1.00 0.00 H new ATOM 0 HG SER A 20 0.547 -14.087 -7.177 1.00 0.00 H new ATOM 345 N ASP A 21 1.420 -11.335 -4.332 1.00 0.00 N ATOM 346 CA ASP A 21 2.600 -11.209 -3.489 1.00 0.00 C ATOM 347 C ASP A 21 2.234 -10.605 -2.136 1.00 0.00 C ATOM 348 O ASP A 21 1.512 -9.611 -2.062 1.00 0.00 O ATOM 349 CB ASP A 21 3.660 -10.352 -4.185 1.00 0.00 C ATOM 350 CG ASP A 21 4.198 -11.006 -5.443 1.00 0.00 C ATOM 351 OD1 ASP A 21 3.747 -12.124 -5.773 1.00 0.00 O ATOM 352 OD2 ASP A 21 5.071 -10.401 -6.099 1.00 0.00 O ATOM 0 H ASP A 21 1.477 -10.829 -5.216 1.00 0.00 H new ATOM 0 HA ASP A 21 3.010 -12.205 -3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.231 -9.383 -4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.483 -10.166 -3.495 1.00 0.00 H new ATOM 357 N THR A 22 2.733 -11.220 -1.071 1.00 0.00 N ATOM 358 CA THR A 22 2.459 -10.757 0.285 1.00 0.00 C ATOM 359 C THR A 22 3.014 -9.360 0.520 1.00 0.00 C ATOM 360 O THR A 22 4.057 -8.994 -0.022 1.00 0.00 O ATOM 361 CB THR A 22 3.042 -11.715 1.338 1.00 0.00 C ATOM 362 OG1 THR A 22 4.449 -11.879 1.130 1.00 0.00 O ATOM 363 CG2 THR A 22 2.352 -13.069 1.276 1.00 0.00 C ATOM 0 H THR A 22 3.332 -12.044 -1.120 1.00 0.00 H new ATOM 0 HA THR A 22 1.374 -10.731 0.390 1.00 0.00 H new ATOM 0 HB THR A 22 2.872 -11.282 2.324 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.811 -12.489 1.806 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.780 -13.730 2.029 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.286 -12.943 1.467 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.494 -13.505 0.287 1.00 0.00 H new ATOM 371 N ILE A 23 2.304 -8.583 1.332 1.00 0.00 N ATOM 372 CA ILE A 23 2.717 -7.220 1.647 1.00 0.00 C ATOM 373 C ILE A 23 4.152 -7.190 2.166 1.00 0.00 C ATOM 374 O ILE A 23 4.916 -6.279 1.856 1.00 0.00 O ATOM 375 CB ILE A 23 1.786 -6.576 2.694 1.00 0.00 C ATOM 376 CG1 ILE A 23 0.330 -6.635 2.222 1.00 0.00 C ATOM 377 CG2 ILE A 23 2.203 -5.136 2.957 1.00 0.00 C ATOM 378 CD1 ILE A 23 -0.656 -6.056 3.215 1.00 0.00 C ATOM 0 H ILE A 23 1.438 -8.875 1.785 1.00 0.00 H new ATOM 0 HA ILE A 23 2.656 -6.647 0.722 1.00 0.00 H new ATOM 0 HB ILE A 23 1.869 -7.136 3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.241 -6.096 1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.064 -7.673 2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.537 -4.694 3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.227 -5.116 3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.144 -4.565 2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.666 -6.133 2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.596 -6.610 4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.416 -5.008 3.397 1.00 0.00 H new ATOM 390 N GLU A 24 4.513 -8.193 2.959 1.00 0.00 N ATOM 391 CA GLU A 24 5.858 -8.277 3.517 1.00 0.00 C ATOM 392 C GLU A 24 6.908 -8.360 2.411 1.00 0.00 C ATOM 393 O GLU A 24 7.975 -7.756 2.510 1.00 0.00 O ATOM 394 CB GLU A 24 5.975 -9.487 4.447 1.00 0.00 C ATOM 395 CG GLU A 24 5.671 -10.812 3.766 1.00 0.00 C ATOM 396 CD GLU A 24 5.791 -11.994 4.709 1.00 0.00 C ATOM 397 OE1 GLU A 24 6.894 -12.207 5.257 1.00 0.00 O ATOM 398 OE2 GLU A 24 4.783 -12.705 4.902 1.00 0.00 O ATOM 0 H GLU A 24 3.895 -8.958 3.230 1.00 0.00 H new ATOM 0 HA GLU A 24 6.040 -7.369 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.984 -9.523 4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.293 -9.356 5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.662 -10.782 3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.354 -10.950 2.927 1.00 0.00 H new ATOM 405 N ASN A 25 6.601 -9.118 1.362 1.00 0.00 N ATOM 406 CA ASN A 25 7.523 -9.284 0.242 1.00 0.00 C ATOM 407 C ASN A 25 7.704 -7.983 -0.536 1.00 0.00 C ATOM 408 O ASN A 25 8.832 -7.578 -0.821 1.00 0.00 O ATOM 409 CB ASN A 25 7.031 -10.391 -0.694 1.00 0.00 C ATOM 410 CG ASN A 25 7.026 -11.761 -0.038 1.00 0.00 C ATOM 411 OD1 ASN A 25 7.444 -11.826 1.224 1.00 0.00 O flip ATOM 412 ND2 ASN A 25 6.649 -12.754 -0.659 1.00 0.00 N flip ATOM 0 H ASN A 25 5.722 -9.626 1.264 1.00 0.00 H new ATOM 0 HA ASN A 25 8.492 -9.566 0.653 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.023 -10.152 -1.032 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.666 -10.420 -1.579 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.336 -12.663 -1.625 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.650 -13.669 -0.207 1.00 0.00 H new ATOM 419 N VAL A 26 6.596 -7.330 -0.887 1.00 0.00 N ATOM 420 CA VAL A 26 6.662 -6.078 -1.638 1.00 0.00 C ATOM 421 C VAL A 26 7.406 -5.000 -0.855 1.00 0.00 C ATOM 422 O VAL A 26 8.243 -4.290 -1.410 1.00 0.00 O ATOM 423 CB VAL A 26 5.263 -5.554 -2.026 1.00 0.00 C ATOM 424 CG1 VAL A 26 4.587 -6.500 -3.005 1.00 0.00 C ATOM 425 CG2 VAL A 26 4.398 -5.344 -0.794 1.00 0.00 C ATOM 0 H VAL A 26 5.651 -7.644 -0.666 1.00 0.00 H new ATOM 0 HA VAL A 26 7.210 -6.301 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 26 5.389 -4.588 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.602 -6.112 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.193 -6.585 -3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.480 -7.483 -2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.418 -4.975 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.282 -6.290 -0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.873 -4.616 -0.136 1.00 0.00 H new ATOM 435 N LYS A 27 7.111 -4.885 0.439 1.00 0.00 N ATOM 436 CA LYS A 27 7.776 -3.893 1.278 1.00 0.00 C ATOM 437 C LYS A 27 9.270 -4.180 1.341 1.00 0.00 C ATOM 438 O LYS A 27 10.093 -3.273 1.225 1.00 0.00 O ATOM 439 CB LYS A 27 7.187 -3.877 2.691 1.00 0.00 C ATOM 440 CG LYS A 27 5.716 -3.493 2.740 1.00 0.00 C ATOM 441 CD LYS A 27 5.259 -3.186 4.161 1.00 0.00 C ATOM 442 CE LYS A 27 5.462 -4.369 5.095 1.00 0.00 C ATOM 443 NZ LYS A 27 4.662 -5.552 4.680 1.00 0.00 N ATOM 0 H LYS A 27 6.423 -5.461 0.924 1.00 0.00 H new ATOM 0 HA LYS A 27 7.615 -2.911 0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.310 -4.864 3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.756 -3.177 3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.546 -2.622 2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.114 -4.305 2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.810 -2.326 4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.205 -2.910 4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.519 -4.636 5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.184 -4.082 6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.918 -6.369 5.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.650 -5.345 4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.858 -5.771 3.682 1.00 0.00 H new ATOM 457 N ALA A 28 9.610 -5.453 1.513 1.00 0.00 N ATOM 458 CA ALA A 28 11.003 -5.871 1.577 1.00 0.00 C ATOM 459 C ALA A 28 11.724 -5.520 0.282 1.00 0.00 C ATOM 460 O ALA A 28 12.929 -5.270 0.275 1.00 0.00 O ATOM 461 CB ALA A 28 11.100 -7.363 1.855 1.00 0.00 C ATOM 0 H ALA A 28 8.937 -6.214 1.611 1.00 0.00 H new ATOM 0 HA ALA A 28 11.486 -5.338 2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.149 -7.657 1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.619 -7.588 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.602 -7.915 1.058 1.00 0.00 H new ATOM 467 N LYS A 29 10.969 -5.498 -0.811 1.00 0.00 N ATOM 468 CA LYS A 29 11.516 -5.169 -2.118 1.00 0.00 C ATOM 469 C LYS A 29 11.997 -3.729 -2.125 1.00 0.00 C ATOM 470 O LYS A 29 13.075 -3.425 -2.636 1.00 0.00 O ATOM 471 CB LYS A 29 10.450 -5.367 -3.197 1.00 0.00 C ATOM 472 CG LYS A 29 10.987 -5.268 -4.612 1.00 0.00 C ATOM 473 CD LYS A 29 11.822 -6.487 -4.965 1.00 0.00 C ATOM 474 CE LYS A 29 12.377 -6.398 -6.377 1.00 0.00 C ATOM 475 NZ LYS A 29 13.289 -5.234 -6.543 1.00 0.00 N ATOM 0 H LYS A 29 9.970 -5.706 -0.815 1.00 0.00 H new ATOM 0 HA LYS A 29 12.358 -5.829 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.986 -6.344 -3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.667 -4.621 -3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.158 -5.175 -5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.592 -4.367 -4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.644 -6.583 -4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.213 -7.386 -4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.914 -7.316 -6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.553 -6.318 -7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.430 -5.046 -7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.869 -4.397 -6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.205 -5.445 -6.099 1.00 0.00 H new ATOM 489 N ILE A 30 11.191 -2.848 -1.541 1.00 0.00 N ATOM 490 CA ILE A 30 11.539 -1.442 -1.464 1.00 0.00 C ATOM 491 C ILE A 30 12.877 -1.282 -0.756 1.00 0.00 C ATOM 492 O ILE A 30 13.655 -0.384 -1.076 1.00 0.00 O ATOM 493 CB ILE A 30 10.459 -0.626 -0.735 1.00 0.00 C ATOM 494 CG1 ILE A 30 9.092 -0.863 -1.383 1.00 0.00 C ATOM 495 CG2 ILE A 30 10.815 0.855 -0.762 1.00 0.00 C ATOM 496 CD1 ILE A 30 7.958 -0.123 -0.708 1.00 0.00 C ATOM 0 H ILE A 30 10.295 -3.087 -1.116 1.00 0.00 H new ATOM 0 HA ILE A 30 11.612 -1.059 -2.482 1.00 0.00 H new ATOM 0 HB ILE A 30 10.410 -0.951 0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.139 -0.560 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.875 -1.931 -1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.044 1.424 -0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.774 1.008 -0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.883 1.194 -1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.023 -0.341 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.882 -0.443 0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.151 0.949 -0.744 1.00 0.00 H new ATOM 508 N GLN A 31 13.156 -2.187 0.185 1.00 0.00 N ATOM 509 CA GLN A 31 14.421 -2.168 0.901 1.00 0.00 C ATOM 510 C GLN A 31 15.535 -2.284 -0.116 1.00 0.00 C ATOM 511 O GLN A 31 16.492 -1.510 -0.114 1.00 0.00 O ATOM 512 CB GLN A 31 14.508 -3.333 1.885 1.00 0.00 C ATOM 513 CG GLN A 31 13.401 -3.347 2.921 1.00 0.00 C ATOM 514 CD GLN A 31 13.526 -4.519 3.872 1.00 0.00 C ATOM 515 OE1 GLN A 31 13.340 -5.673 3.488 1.00 0.00 O ATOM 516 NE2 GLN A 31 13.864 -4.224 5.118 1.00 0.00 N ATOM 0 H GLN A 31 12.522 -2.936 0.464 1.00 0.00 H new ATOM 0 HA GLN A 31 14.505 -1.240 1.467 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.482 -4.269 1.327 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.470 -3.293 2.396 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.424 -2.416 3.488 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.435 -3.390 2.418 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.008 -3.252 5.391 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.980 -4.969 5.805 1.00 0.00 H new ATOM 525 N ASP A 32 15.371 -3.250 -1.010 1.00 0.00 N ATOM 526 CA ASP A 32 16.326 -3.470 -2.077 1.00 0.00 C ATOM 527 C ASP A 32 16.387 -2.223 -2.946 1.00 0.00 C ATOM 528 O ASP A 32 17.447 -1.823 -3.427 1.00 0.00 O ATOM 529 CB ASP A 32 15.928 -4.683 -2.919 1.00 0.00 C ATOM 530 CG ASP A 32 15.874 -5.961 -2.104 1.00 0.00 C ATOM 531 OD1 ASP A 32 16.916 -6.345 -1.533 1.00 0.00 O ATOM 532 OD2 ASP A 32 14.790 -6.577 -2.037 1.00 0.00 O ATOM 0 H ASP A 32 14.580 -3.894 -1.013 1.00 0.00 H new ATOM 0 HA ASP A 32 17.308 -3.669 -1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.953 -4.503 -3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 32 16.641 -4.805 -3.734 1.00 0.00 H new ATOM 537 N LYS A 33 15.220 -1.609 -3.118 1.00 0.00 N ATOM 538 CA LYS A 33 15.081 -0.390 -3.901 1.00 0.00 C ATOM 539 C LYS A 33 15.782 0.783 -3.222 1.00 0.00 C ATOM 540 O LYS A 33 16.161 1.754 -3.877 1.00 0.00 O ATOM 541 CB LYS A 33 13.598 -0.074 -4.112 1.00 0.00 C ATOM 542 CG LYS A 33 12.953 -0.876 -5.233 1.00 0.00 C ATOM 543 CD LYS A 33 13.563 -0.533 -6.583 1.00 0.00 C ATOM 544 CE LYS A 33 12.873 -1.278 -7.714 1.00 0.00 C ATOM 545 NZ LYS A 33 12.986 -2.753 -7.560 1.00 0.00 N ATOM 0 H LYS A 33 14.344 -1.945 -2.717 1.00 0.00 H new ATOM 0 HA LYS A 33 15.555 -0.548 -4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.059 -0.266 -3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.490 0.989 -4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.075 -1.941 -5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.882 -0.677 -5.255 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.488 0.541 -6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.624 -0.781 -6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.820 -0.996 -7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.311 -0.978 -8.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.937 -3.205 -8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.894 -2.987 -7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.206 -3.101 -6.966 1.00 0.00 H new ATOM 559 N GLU A 34 15.945 0.690 -1.905 1.00 0.00 N ATOM 560 CA GLU A 34 16.596 1.749 -1.139 1.00 0.00 C ATOM 561 C GLU A 34 17.246 1.192 0.127 1.00 0.00 C ATOM 562 O GLU A 34 18.412 0.798 0.110 1.00 0.00 O ATOM 563 CB GLU A 34 15.583 2.838 -0.778 1.00 0.00 C ATOM 564 CG GLU A 34 16.187 4.011 -0.022 1.00 0.00 C ATOM 565 CD GLU A 34 17.278 4.713 -0.807 1.00 0.00 C ATOM 566 OE1 GLU A 34 16.997 5.170 -1.935 1.00 0.00 O ATOM 567 OE2 GLU A 34 18.411 4.809 -0.293 1.00 0.00 O ATOM 0 H GLU A 34 15.636 -0.106 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 34 17.380 2.184 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.119 3.207 -1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.790 2.398 -0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.401 4.726 0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.596 3.656 0.924 1.00 0.00 H new ATOM 574 N GLY A 35 16.489 1.161 1.223 1.00 0.00 N ATOM 575 CA GLY A 35 17.026 0.649 2.473 1.00 0.00 C ATOM 576 C GLY A 35 16.191 1.041 3.679 1.00 0.00 C ATOM 577 O GLY A 35 16.679 1.723 4.580 1.00 0.00 O ATOM 0 H GLY A 35 15.521 1.479 1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.088 -0.438 2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.042 1.020 2.605 1.00 0.00 H new ATOM 581 N ILE A 36 14.933 0.612 3.696 1.00 0.00 N ATOM 582 CA ILE A 36 14.033 0.925 4.796 1.00 0.00 C ATOM 583 C ILE A 36 13.165 -0.273 5.168 1.00 0.00 C ATOM 584 O ILE A 36 12.375 -0.751 4.353 1.00 0.00 O ATOM 585 CB ILE A 36 13.106 2.112 4.455 1.00 0.00 C ATOM 586 CG1 ILE A 36 13.199 2.478 2.970 1.00 0.00 C ATOM 587 CG2 ILE A 36 13.434 3.312 5.323 1.00 0.00 C ATOM 588 CD1 ILE A 36 12.670 1.407 2.041 1.00 0.00 C ATOM 0 H ILE A 36 14.515 0.046 2.958 1.00 0.00 H new ATOM 0 HA ILE A 36 14.668 1.192 5.641 1.00 0.00 H new ATOM 0 HB ILE A 36 12.080 1.806 4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.645 3.401 2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.241 2.680 2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.770 4.138 5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.300 3.050 6.372 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.468 3.612 5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.770 1.740 1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.239 0.488 2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.619 1.220 2.262 1.00 0.00 H new ATOM 600 N PRO A 37 13.297 -0.767 6.414 1.00 0.00 N ATOM 601 CA PRO A 37 12.522 -1.905 6.910 1.00 0.00 C ATOM 602 C PRO A 37 11.062 -1.872 6.455 1.00 0.00 C ATOM 603 O PRO A 37 10.470 -0.801 6.318 1.00 0.00 O ATOM 604 CB PRO A 37 12.610 -1.725 8.421 1.00 0.00 C ATOM 605 CG PRO A 37 13.956 -1.128 8.641 1.00 0.00 C ATOM 606 CD PRO A 37 14.225 -0.252 7.444 1.00 0.00 C ATOM 0 HA PRO A 37 12.903 -2.857 6.541 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.820 -1.072 8.791 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.507 -2.677 8.942 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.979 -0.546 9.563 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.716 -1.904 8.735 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.034 0.798 7.666 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.263 -0.325 7.120 1.00 0.00 H new ATOM 614 N PRO A 38 10.464 -3.052 6.214 1.00 0.00 N ATOM 615 CA PRO A 38 9.069 -3.161 5.770 1.00 0.00 C ATOM 616 C PRO A 38 8.087 -2.556 6.768 1.00 0.00 C ATOM 617 O PRO A 38 7.077 -1.969 6.381 1.00 0.00 O ATOM 618 CB PRO A 38 8.842 -4.674 5.647 1.00 0.00 C ATOM 619 CG PRO A 38 9.922 -5.298 6.460 1.00 0.00 C ATOM 620 CD PRO A 38 11.098 -4.373 6.356 1.00 0.00 C ATOM 0 HA PRO A 38 8.901 -2.616 4.841 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.857 -4.956 6.018 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.895 -4.997 4.607 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.610 -5.419 7.497 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.171 -6.290 6.084 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.732 -4.424 7.241 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.727 -4.614 5.499 1.00 0.00 H new ATOM 628 N ASP A 39 8.389 -2.706 8.053 1.00 0.00 N ATOM 629 CA ASP A 39 7.535 -2.180 9.110 1.00 0.00 C ATOM 630 C ASP A 39 7.398 -0.666 9.002 1.00 0.00 C ATOM 631 O ASP A 39 6.323 -0.112 9.231 1.00 0.00 O ATOM 632 CB ASP A 39 8.097 -2.556 10.481 1.00 0.00 C ATOM 633 CG ASP A 39 8.166 -4.056 10.687 1.00 0.00 C ATOM 634 OD1 ASP A 39 7.099 -4.705 10.684 1.00 0.00 O ATOM 635 OD2 ASP A 39 9.285 -4.584 10.847 1.00 0.00 O ATOM 0 H ASP A 39 9.222 -3.190 8.388 1.00 0.00 H new ATOM 0 HA ASP A 39 6.546 -2.623 8.995 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.095 -2.131 10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.475 -2.114 11.259 1.00 0.00 H new ATOM 640 N GLN A 40 8.495 -0.002 8.654 1.00 0.00 N ATOM 641 CA GLN A 40 8.500 1.446 8.519 1.00 0.00 C ATOM 642 C GLN A 40 7.579 1.899 7.391 1.00 0.00 C ATOM 643 O GLN A 40 6.873 2.900 7.517 1.00 0.00 O ATOM 644 CB GLN A 40 9.920 1.941 8.260 1.00 0.00 C ATOM 645 CG GLN A 40 10.880 1.662 9.406 1.00 0.00 C ATOM 646 CD GLN A 40 12.332 1.849 9.007 1.00 0.00 C ATOM 647 OE1 GLN A 40 12.565 2.111 7.726 1.00 0.00 O flip ATOM 648 NE2 GLN A 40 13.233 1.750 9.840 1.00 0.00 N flip ATOM 0 H GLN A 40 9.392 -0.446 8.460 1.00 0.00 H new ATOM 0 HA GLN A 40 8.131 1.873 9.451 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.301 1.469 7.355 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.893 3.014 8.073 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.648 2.325 10.240 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.732 0.641 9.759 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.007 1.548 10.814 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.205 1.870 9.556 1.00 0.00 H new ATOM 657 N GLN A 41 7.599 1.159 6.287 1.00 0.00 N ATOM 658 CA GLN A 41 6.774 1.484 5.127 1.00 0.00 C ATOM 659 C GLN A 41 5.310 1.656 5.522 1.00 0.00 C ATOM 660 O GLN A 41 4.722 0.782 6.157 1.00 0.00 O ATOM 661 CB GLN A 41 6.900 0.386 4.070 1.00 0.00 C ATOM 662 CG GLN A 41 8.335 0.090 3.665 1.00 0.00 C ATOM 663 CD GLN A 41 9.047 1.303 3.099 1.00 0.00 C ATOM 664 OE1 GLN A 41 9.450 1.212 1.839 1.00 0.00 O flip ATOM 665 NE2 GLN A 41 9.232 2.309 3.783 1.00 0.00 N flip ATOM 0 H GLN A 41 8.179 0.328 6.170 1.00 0.00 H new ATOM 0 HA GLN A 41 7.130 2.428 4.714 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.444 -0.527 4.451 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.335 0.679 3.185 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.884 -0.276 4.532 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.341 -0.708 2.923 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.905 2.336 4.749 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.712 3.116 3.384 1.00 0.00 H new ATOM 674 N ARG A 42 4.732 2.792 5.143 1.00 0.00 N ATOM 675 CA ARG A 42 3.343 3.083 5.457 1.00 0.00 C ATOM 676 C ARG A 42 2.423 2.690 4.307 1.00 0.00 C ATOM 677 O ARG A 42 2.606 3.141 3.178 1.00 0.00 O ATOM 678 CB ARG A 42 3.167 4.567 5.780 1.00 0.00 C ATOM 679 CG ARG A 42 3.946 5.021 7.003 1.00 0.00 C ATOM 680 CD ARG A 42 3.773 6.511 7.251 1.00 0.00 C ATOM 681 NE ARG A 42 4.536 6.964 8.411 1.00 0.00 N ATOM 682 CZ ARG A 42 4.560 8.225 8.831 1.00 0.00 C ATOM 683 NH1 ARG A 42 3.865 9.155 8.190 1.00 0.00 N ATOM 684 NH2 ARG A 42 5.280 8.558 9.893 1.00 0.00 N ATOM 0 H ARG A 42 5.208 3.525 4.617 1.00 0.00 H new ATOM 0 HA ARG A 42 3.070 2.493 6.332 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.482 5.157 4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.108 4.773 5.937 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.610 4.464 7.877 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.003 4.794 6.867 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.092 7.065 6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.717 6.733 7.402 1.00 0.00 H new ATOM 0 HE ARG A 42 5.081 6.274 8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.310 8.904 7.372 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.886 10.122 8.515 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.817 7.846 10.389 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.298 9.526 10.214 1.00 0.00 H new ATOM 698 N LEU A 43 1.428 1.858 4.600 1.00 0.00 N ATOM 699 CA LEU A 43 0.481 1.422 3.580 1.00 0.00 C ATOM 700 C LEU A 43 -0.555 2.502 3.300 1.00 0.00 C ATOM 701 O LEU A 43 -1.147 3.064 4.221 1.00 0.00 O ATOM 702 CB LEU A 43 -0.221 0.130 4.003 1.00 0.00 C ATOM 703 CG LEU A 43 0.696 -1.078 4.197 1.00 0.00 C ATOM 704 CD1 LEU A 43 -0.124 -2.325 4.492 1.00 0.00 C ATOM 705 CD2 LEU A 43 1.563 -1.293 2.966 1.00 0.00 C ATOM 0 H LEU A 43 1.257 1.474 5.530 1.00 0.00 H new ATOM 0 HA LEU A 43 1.046 1.233 2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.754 0.314 4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.970 -0.120 3.252 1.00 0.00 H new ATOM 0 HG LEU A 43 1.348 -0.882 5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.544 -3.176 4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.705 -2.172 5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.799 -2.522 3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.209 -2.157 3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.926 -1.468 2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.176 -0.408 2.794 1.00 0.00 H new ATOM 717 N ILE A 44 -0.774 2.779 2.020 1.00 0.00 N ATOM 718 CA ILE A 44 -1.744 3.783 1.608 1.00 0.00 C ATOM 719 C ILE A 44 -2.453 3.349 0.331 1.00 0.00 C ATOM 720 O ILE A 44 -1.815 2.916 -0.628 1.00 0.00 O ATOM 721 CB ILE A 44 -1.081 5.155 1.387 1.00 0.00 C ATOM 722 CG1 ILE A 44 -0.422 5.634 2.682 1.00 0.00 C ATOM 723 CG2 ILE A 44 -2.106 6.169 0.896 1.00 0.00 C ATOM 724 CD1 ILE A 44 0.323 6.941 2.538 1.00 0.00 C ATOM 0 H ILE A 44 -0.290 2.320 1.248 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.472 3.879 2.413 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.311 5.055 0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.188 5.745 3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.270 4.868 3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.621 7.133 0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.534 5.827 -0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.898 6.274 1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.763 7.216 3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.112 6.830 1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.369 7.721 2.219 1.00 0.00 H new ATOM 736 N PHE A 45 -3.776 3.451 0.335 1.00 0.00 N ATOM 737 CA PHE A 45 -4.582 3.055 -0.813 1.00 0.00 C ATOM 738 C PHE A 45 -5.502 4.196 -1.243 1.00 0.00 C ATOM 739 O PHE A 45 -5.956 4.978 -0.409 1.00 0.00 O ATOM 740 CB PHE A 45 -5.417 1.813 -0.470 1.00 0.00 C ATOM 741 CG PHE A 45 -4.603 0.615 -0.058 1.00 0.00 C ATOM 742 CD1 PHE A 45 -3.849 0.636 1.105 1.00 0.00 C ATOM 743 CD2 PHE A 45 -4.597 -0.533 -0.832 1.00 0.00 C ATOM 744 CE1 PHE A 45 -3.105 -0.464 1.487 1.00 0.00 C ATOM 745 CE2 PHE A 45 -3.855 -1.637 -0.456 1.00 0.00 C ATOM 746 CZ PHE A 45 -3.107 -1.601 0.705 1.00 0.00 C ATOM 0 H PHE A 45 -4.316 3.806 1.124 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.911 2.818 -1.638 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.106 2.064 0.336 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.023 1.546 -1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.843 1.523 1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.179 -0.566 -1.741 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.523 -0.434 2.396 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.860 -2.526 -1.069 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.525 -2.461 1.000 1.00 0.00 H new ATOM 756 N ALA A 46 -5.772 4.298 -2.544 1.00 0.00 N ATOM 757 CA ALA A 46 -6.641 5.360 -3.049 1.00 0.00 C ATOM 758 C ALA A 46 -7.273 4.984 -4.386 1.00 0.00 C ATOM 759 O ALA A 46 -6.581 4.595 -5.325 1.00 0.00 O ATOM 760 CB ALA A 46 -5.859 6.658 -3.182 1.00 0.00 C ATOM 0 H ALA A 46 -5.407 3.668 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.448 5.499 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.516 7.442 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.469 6.949 -2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.031 6.514 -3.876 1.00 0.00 H new ATOM 766 N GLY A 47 -8.596 5.106 -4.460 1.00 0.00 N ATOM 767 CA GLY A 47 -9.309 4.778 -5.682 1.00 0.00 C ATOM 768 C GLY A 47 -9.015 5.742 -6.816 1.00 0.00 C ATOM 769 O GLY A 47 -7.868 6.133 -7.028 1.00 0.00 O ATOM 0 H GLY A 47 -9.188 5.427 -3.694 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.041 3.768 -5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.380 4.777 -5.482 1.00 0.00 H new ATOM 868 N MET B 1 -2.290 -4.269 11.705 1.00 0.00 N ATOM 869 CA MET B 1 -1.715 -2.973 11.347 1.00 0.00 C ATOM 870 C MET B 1 -2.677 -2.130 10.511 1.00 0.00 C ATOM 871 O MET B 1 -2.907 -2.412 9.335 1.00 0.00 O ATOM 872 CB MET B 1 -0.408 -3.171 10.572 1.00 0.00 C ATOM 873 CG MET B 1 -0.539 -4.128 9.396 1.00 0.00 C ATOM 874 SD MET B 1 0.956 -4.213 8.394 1.00 0.00 S ATOM 875 CE MET B 1 0.980 -2.566 7.696 1.00 0.00 C ATOM 0 H1 MET B 1 -1.533 -4.980 11.764 1.00 0.00 H new ATOM 0 H2 MET B 1 -2.768 -4.194 12.626 1.00 0.00 H new ATOM 0 H3 MET B 1 -2.979 -4.555 10.980 1.00 0.00 H new ATOM 0 HA MET B 1 -1.520 -2.439 12.277 1.00 0.00 H new ATOM 0 HB2 MET B 1 -0.061 -2.204 10.207 1.00 0.00 H new ATOM 0 HB3 MET B 1 0.356 -3.547 11.253 1.00 0.00 H new ATOM 0 HG2 MET B 1 -0.778 -5.124 9.769 1.00 0.00 H new ATOM 0 HG3 MET B 1 -1.374 -3.814 8.769 1.00 0.00 H new ATOM 0 HE1 MET B 1 1.504 -2.583 6.740 1.00 0.00 H new ATOM 0 HE2 MET B 1 -0.042 -2.221 7.543 1.00 0.00 H new ATOM 0 HE3 MET B 1 1.493 -1.889 8.379 1.00 0.00 H new ATOM 885 N GLN B 2 -3.217 -1.078 11.122 1.00 0.00 N ATOM 886 CA GLN B 2 -4.130 -0.174 10.435 1.00 0.00 C ATOM 887 C GLN B 2 -3.431 0.511 9.264 1.00 0.00 C ATOM 888 O GLN B 2 -2.240 0.815 9.331 1.00 0.00 O ATOM 889 CB GLN B 2 -4.668 0.879 11.403 1.00 0.00 C ATOM 890 CG GLN B 2 -5.519 0.304 12.522 1.00 0.00 C ATOM 891 CD GLN B 2 -6.063 1.374 13.448 1.00 0.00 C ATOM 892 OE1 GLN B 2 -5.305 2.135 14.050 1.00 0.00 O ATOM 893 NE2 GLN B 2 -7.384 1.437 13.568 1.00 0.00 N ATOM 0 H GLN B 2 -3.036 -0.832 12.095 1.00 0.00 H new ATOM 0 HA GLN B 2 -4.963 -0.763 10.051 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -3.829 1.421 11.839 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -5.260 1.604 10.844 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -6.350 -0.255 12.091 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -4.924 -0.403 13.100 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -7.975 0.786 13.050 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -7.808 2.136 14.178 1.00 0.00 H new ATOM 902 N ILE B 3 -4.181 0.748 8.195 1.00 0.00 N ATOM 903 CA ILE B 3 -3.643 1.392 7.006 1.00 0.00 C ATOM 904 C ILE B 3 -4.411 2.667 6.679 1.00 0.00 C ATOM 905 O ILE B 3 -5.630 2.727 6.839 1.00 0.00 O ATOM 906 CB ILE B 3 -3.696 0.457 5.779 1.00 0.00 C ATOM 907 CG1 ILE B 3 -5.142 0.088 5.441 1.00 0.00 C ATOM 908 CG2 ILE B 3 -2.870 -0.795 6.023 1.00 0.00 C ATOM 909 CD1 ILE B 3 -5.268 -0.808 4.228 1.00 0.00 C ATOM 0 H ILE B 3 -5.169 0.502 8.128 1.00 0.00 H new ATOM 0 HA ILE B 3 -2.603 1.634 7.226 1.00 0.00 H new ATOM 0 HB ILE B 3 -3.271 0.989 4.928 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -5.592 -0.411 6.300 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -5.711 1.002 5.269 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -2.921 -1.441 5.146 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -1.833 -0.516 6.209 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -3.263 -1.327 6.889 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -6.320 -1.029 4.047 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -4.848 -0.303 3.358 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -4.727 -1.738 4.405 1.00 0.00 H new ATOM 921 N PHE B 4 -3.694 3.678 6.202 1.00 0.00 N ATOM 922 CA PHE B 4 -4.317 4.940 5.833 1.00 0.00 C ATOM 923 C PHE B 4 -4.776 4.872 4.383 1.00 0.00 C ATOM 924 O PHE B 4 -4.025 4.447 3.507 1.00 0.00 O ATOM 925 CB PHE B 4 -3.343 6.109 6.027 1.00 0.00 C ATOM 926 CG PHE B 4 -2.954 6.352 7.460 1.00 0.00 C ATOM 927 CD1 PHE B 4 -2.385 5.345 8.225 1.00 0.00 C ATOM 928 CD2 PHE B 4 -3.153 7.595 8.039 1.00 0.00 C ATOM 929 CE1 PHE B 4 -2.025 5.572 9.539 1.00 0.00 C ATOM 930 CE2 PHE B 4 -2.794 7.829 9.354 1.00 0.00 C ATOM 931 CZ PHE B 4 -2.230 6.815 10.104 1.00 0.00 C ATOM 0 H PHE B 4 -2.684 3.647 6.063 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.178 5.109 6.480 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -2.442 5.918 5.444 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -3.796 7.016 5.626 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -2.221 4.371 7.788 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -3.594 8.391 7.457 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -1.584 4.778 10.124 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -2.954 8.802 9.794 1.00 0.00 H new ATOM 0 HZ PHE B 4 -1.950 6.995 11.131 1.00 0.00 H new ATOM 941 N VAL B 5 -6.020 5.265 4.137 1.00 0.00 N ATOM 942 CA VAL B 5 -6.577 5.213 2.791 1.00 0.00 C ATOM 943 C VAL B 5 -7.480 6.411 2.511 1.00 0.00 C ATOM 944 O VAL B 5 -8.168 6.909 3.400 1.00 0.00 O ATOM 945 CB VAL B 5 -7.379 3.909 2.581 1.00 0.00 C ATOM 946 CG1 VAL B 5 -8.069 3.901 1.225 1.00 0.00 C ATOM 947 CG2 VAL B 5 -6.476 2.694 2.734 1.00 0.00 C ATOM 0 H VAL B 5 -6.659 5.621 4.848 1.00 0.00 H new ATOM 0 HA VAL B 5 -5.738 5.240 2.096 1.00 0.00 H new ATOM 0 HB VAL B 5 -8.151 3.862 3.349 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -8.625 2.971 1.105 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -8.755 4.745 1.161 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -7.321 3.980 0.436 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -7.059 1.786 2.583 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -5.677 2.739 1.994 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -6.044 2.685 3.735 1.00 0.00 H new ATOM 957 N LYS B 6 -7.474 6.863 1.262 1.00 0.00 N ATOM 958 CA LYS B 6 -8.297 7.992 0.848 1.00 0.00 C ATOM 959 C LYS B 6 -9.529 7.498 0.097 1.00 0.00 C ATOM 960 O LYS B 6 -9.422 6.666 -0.804 1.00 0.00 O ATOM 961 CB LYS B 6 -7.488 8.944 -0.035 1.00 0.00 C ATOM 962 CG LYS B 6 -8.275 10.159 -0.501 1.00 0.00 C ATOM 963 CD LYS B 6 -7.431 11.071 -1.378 1.00 0.00 C ATOM 964 CE LYS B 6 -6.239 11.634 -0.621 1.00 0.00 C ATOM 965 NZ LYS B 6 -5.409 12.527 -1.476 1.00 0.00 N ATOM 0 H LYS B 6 -6.905 6.462 0.516 1.00 0.00 H new ATOM 0 HA LYS B 6 -8.621 8.532 1.738 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -6.610 9.280 0.517 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -7.127 8.399 -0.907 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -9.155 9.832 -1.056 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -8.633 10.716 0.365 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -7.080 10.516 -2.248 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -8.046 11.891 -1.749 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -6.591 12.189 0.249 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -5.625 10.814 -0.249 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -4.607 12.890 -0.923 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -5.052 11.992 -2.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -5.988 13.324 -1.810 1.00 0.00 H new ATOM 979 N THR B 7 -10.699 8.004 0.474 1.00 0.00 N ATOM 980 CA THR B 7 -11.946 7.600 -0.167 1.00 0.00 C ATOM 981 C THR B 7 -12.022 8.102 -1.607 1.00 0.00 C ATOM 982 O THR B 7 -10.998 8.372 -2.235 1.00 0.00 O ATOM 983 CB THR B 7 -13.171 8.108 0.615 1.00 0.00 C ATOM 984 OG1 THR B 7 -13.138 9.538 0.703 1.00 0.00 O ATOM 985 CG2 THR B 7 -13.208 7.509 2.013 1.00 0.00 C ATOM 0 H THR B 7 -10.810 8.693 1.218 1.00 0.00 H new ATOM 0 HA THR B 7 -11.957 6.510 -0.172 1.00 0.00 H new ATOM 0 HB THR B 7 -14.069 7.798 0.081 1.00 0.00 H new ATOM 0 HG1 THR B 7 -13.992 9.864 1.056 1.00 0.00 H new ATOM 0 HG21 THR B 7 -14.082 7.883 2.546 1.00 0.00 H new ATOM 0 HG22 THR B 7 -13.263 6.423 1.942 1.00 0.00 H new ATOM 0 HG23 THR B 7 -12.305 7.792 2.554 1.00 0.00 H new ATOM 993 N LEU B 8 -13.242 8.220 -2.128 1.00 0.00 N ATOM 994 CA LEU B 8 -13.445 8.683 -3.497 1.00 0.00 C ATOM 995 C LEU B 8 -12.982 10.126 -3.666 1.00 0.00 C ATOM 996 O LEU B 8 -12.034 10.401 -4.399 1.00 0.00 O ATOM 997 CB LEU B 8 -14.921 8.566 -3.887 1.00 0.00 C ATOM 998 CG LEU B 8 -15.513 7.156 -3.804 1.00 0.00 C ATOM 999 CD1 LEU B 8 -16.954 7.157 -4.282 1.00 0.00 C ATOM 1000 CD2 LEU B 8 -14.698 6.180 -4.626 1.00 0.00 C ATOM 0 H LEU B 8 -14.101 8.002 -1.624 1.00 0.00 H new ATOM 0 HA LEU B 8 -12.848 8.050 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -15.503 9.224 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -15.040 8.932 -4.907 1.00 0.00 H new ATOM 0 HG LEU B 8 -15.485 6.840 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -17.360 6.147 -4.217 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -17.544 7.827 -3.657 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -16.994 7.498 -5.317 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -15.138 5.185 -4.551 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -14.693 6.498 -5.669 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -13.675 6.153 -4.250 1.00 0.00 H new ATOM 1012 N THR B 9 -13.660 11.045 -2.984 1.00 0.00 N ATOM 1013 CA THR B 9 -13.315 12.460 -3.061 1.00 0.00 C ATOM 1014 C THR B 9 -12.077 12.770 -2.228 1.00 0.00 C ATOM 1015 O THR B 9 -11.172 13.473 -2.681 1.00 0.00 O ATOM 1016 CB THR B 9 -14.483 13.350 -2.591 1.00 0.00 C ATOM 1017 OG1 THR B 9 -14.087 14.727 -2.606 1.00 0.00 O ATOM 1018 CG2 THR B 9 -14.938 12.962 -1.192 1.00 0.00 C ATOM 0 H THR B 9 -14.450 10.835 -2.373 1.00 0.00 H new ATOM 0 HA THR B 9 -13.105 12.679 -4.108 1.00 0.00 H new ATOM 0 HB THR B 9 -15.317 13.204 -3.277 1.00 0.00 H new ATOM 0 HG1 THR B 9 -14.835 15.286 -2.308 1.00 0.00 H new ATOM 0 HG21 THR B 9 -15.763 13.606 -0.886 1.00 0.00 H new ATOM 0 HG22 THR B 9 -15.269 11.924 -1.192 1.00 0.00 H new ATOM 0 HG23 THR B 9 -14.109 13.078 -0.494 1.00 0.00 H new ATOM 1026 N GLY B 10 -12.042 12.238 -1.011 1.00 0.00 N ATOM 1027 CA GLY B 10 -10.910 12.462 -0.133 1.00 0.00 C ATOM 1028 C GLY B 10 -11.279 12.322 1.331 1.00 0.00 C ATOM 1029 O GLY B 10 -11.976 13.172 1.885 1.00 0.00 O ATOM 0 H GLY B 10 -12.780 11.654 -0.617 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.119 11.752 -0.375 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -10.508 13.460 -0.310 1.00 0.00 H new ATOM 1033 N LYS B 11 -10.807 11.251 1.959 1.00 0.00 N ATOM 1034 CA LYS B 11 -11.089 11.005 3.368 1.00 0.00 C ATOM 1035 C LYS B 11 -10.191 9.903 3.918 1.00 0.00 C ATOM 1036 O LYS B 11 -10.094 8.822 3.336 1.00 0.00 O ATOM 1037 CB LYS B 11 -12.558 10.621 3.558 1.00 0.00 C ATOM 1038 CG LYS B 11 -12.933 10.348 5.008 1.00 0.00 C ATOM 1039 CD LYS B 11 -14.384 9.911 5.140 1.00 0.00 C ATOM 1040 CE LYS B 11 -15.343 10.987 4.657 1.00 0.00 C ATOM 1041 NZ LYS B 11 -15.199 12.251 5.430 1.00 0.00 N ATOM 0 H LYS B 11 -10.227 10.539 1.514 1.00 0.00 H new ATOM 0 HA LYS B 11 -10.886 11.924 3.918 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -13.187 11.423 3.173 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -12.773 9.734 2.962 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -12.281 9.574 5.413 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -12.768 11.247 5.602 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -14.543 8.998 4.566 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -14.599 9.673 6.182 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -15.162 11.186 3.601 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -16.367 10.624 4.743 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -15.996 12.883 5.213 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -15.194 12.037 6.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -14.306 12.717 5.170 1.00 0.00 H new ATOM 1055 N THR B 12 -9.544 10.179 5.044 1.00 0.00 N ATOM 1056 CA THR B 12 -8.664 9.204 5.672 1.00 0.00 C ATOM 1057 C THR B 12 -9.473 8.091 6.331 1.00 0.00 C ATOM 1058 O THR B 12 -10.454 8.353 7.026 1.00 0.00 O ATOM 1059 CB THR B 12 -7.756 9.863 6.728 1.00 0.00 C ATOM 1060 OG1 THR B 12 -6.980 10.906 6.125 1.00 0.00 O ATOM 1061 CG2 THR B 12 -6.824 8.840 7.360 1.00 0.00 C ATOM 0 H THR B 12 -9.613 11.068 5.539 1.00 0.00 H new ATOM 0 HA THR B 12 -8.039 8.782 4.885 1.00 0.00 H new ATOM 0 HB THR B 12 -8.393 10.283 7.507 1.00 0.00 H new ATOM 0 HG1 THR B 12 -6.407 11.321 6.803 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.194 9.331 8.102 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.413 8.061 7.843 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.196 8.394 6.589 1.00 0.00 H new ATOM 1069 N ILE B 13 -9.057 6.849 6.108 1.00 0.00 N ATOM 1070 CA ILE B 13 -9.745 5.698 6.681 1.00 0.00 C ATOM 1071 C ILE B 13 -8.754 4.667 7.206 1.00 0.00 C ATOM 1072 O ILE B 13 -7.910 4.163 6.464 1.00 0.00 O ATOM 1073 CB ILE B 13 -10.683 5.029 5.650 1.00 0.00 C ATOM 1074 CG1 ILE B 13 -11.072 3.618 6.098 1.00 0.00 C ATOM 1075 CG2 ILE B 13 -10.032 4.987 4.282 1.00 0.00 C ATOM 1076 CD1 ILE B 13 -11.864 2.851 5.059 1.00 0.00 C ATOM 0 H ILE B 13 -8.247 6.614 5.535 1.00 0.00 H new ATOM 0 HA ILE B 13 -10.344 6.070 7.512 1.00 0.00 H new ATOM 0 HB ILE B 13 -11.591 5.629 5.584 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -10.167 3.060 6.339 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -11.659 3.685 7.014 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -10.709 4.512 3.571 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -9.813 6.002 3.952 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -9.105 4.416 4.337 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -12.105 1.860 5.444 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -12.786 3.388 4.835 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -11.271 2.752 4.149 1.00 0.00 H new ATOM 1088 N THR B 14 -8.873 4.354 8.492 1.00 0.00 N ATOM 1089 CA THR B 14 -8.001 3.380 9.129 1.00 0.00 C ATOM 1090 C THR B 14 -8.467 1.964 8.818 1.00 0.00 C ATOM 1091 O THR B 14 -9.666 1.712 8.704 1.00 0.00 O ATOM 1092 CB THR B 14 -7.964 3.572 10.655 1.00 0.00 C ATOM 1093 OG1 THR B 14 -8.667 4.766 11.016 1.00 0.00 O ATOM 1094 CG2 THR B 14 -6.529 3.658 11.147 1.00 0.00 C ATOM 0 H THR B 14 -9.569 4.764 9.114 1.00 0.00 H new ATOM 0 HA THR B 14 -6.998 3.534 8.731 1.00 0.00 H new ATOM 0 HB THR B 14 -8.446 2.713 11.122 1.00 0.00 H new ATOM 0 HG1 THR B 14 -8.640 4.880 11.989 1.00 0.00 H new ATOM 0 HG21 THR B 14 -6.523 3.794 12.228 1.00 0.00 H new ATOM 0 HG22 THR B 14 -6.002 2.738 10.894 1.00 0.00 H new ATOM 0 HG23 THR B 14 -6.032 4.504 10.672 1.00 0.00 H new ATOM 1102 N LEU B 15 -7.522 1.041 8.675 1.00 0.00 N ATOM 1103 CA LEU B 15 -7.870 -0.340 8.370 1.00 0.00 C ATOM 1104 C LEU B 15 -6.701 -1.284 8.668 1.00 0.00 C ATOM 1105 O LEU B 15 -5.671 -1.252 8.000 1.00 0.00 O ATOM 1106 CB LEU B 15 -8.288 -0.421 6.891 1.00 0.00 C ATOM 1107 CG LEU B 15 -8.772 -1.785 6.379 1.00 0.00 C ATOM 1108 CD1 LEU B 15 -9.277 -1.656 4.951 1.00 0.00 C ATOM 1109 CD2 LEU B 15 -7.670 -2.824 6.443 1.00 0.00 C ATOM 0 H LEU B 15 -6.522 1.221 8.764 1.00 0.00 H new ATOM 0 HA LEU B 15 -8.699 -0.657 9.002 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.083 0.306 6.723 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -7.439 -0.112 6.281 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.586 -2.115 7.025 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -9.618 -2.629 4.596 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -10.105 -0.948 4.920 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -8.470 -1.299 4.311 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -8.047 -3.778 6.073 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -6.830 -2.502 5.827 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -7.339 -2.940 7.475 1.00 0.00 H new ATOM 1121 N GLU B 16 -6.883 -2.137 9.670 1.00 0.00 N ATOM 1122 CA GLU B 16 -5.865 -3.102 10.061 1.00 0.00 C ATOM 1123 C GLU B 16 -5.925 -4.349 9.177 1.00 0.00 C ATOM 1124 O GLU B 16 -7.007 -4.812 8.816 1.00 0.00 O ATOM 1125 CB GLU B 16 -6.049 -3.480 11.531 1.00 0.00 C ATOM 1126 CG GLU B 16 -7.383 -4.151 11.824 1.00 0.00 C ATOM 1127 CD GLU B 16 -7.574 -4.458 13.296 1.00 0.00 C ATOM 1128 OE1 GLU B 16 -7.601 -3.505 14.103 1.00 0.00 O ATOM 1129 OE2 GLU B 16 -7.696 -5.651 13.643 1.00 0.00 O ATOM 0 H GLU B 16 -7.735 -2.178 10.230 1.00 0.00 H new ATOM 0 HA GLU B 16 -4.884 -2.645 9.930 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -5.242 -4.149 11.829 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -5.961 -2.582 12.142 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -8.192 -3.505 11.484 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -7.453 -5.076 11.252 1.00 0.00 H new ATOM 1136 N VAL B 17 -4.754 -4.883 8.831 1.00 0.00 N ATOM 1137 CA VAL B 17 -4.664 -6.072 7.983 1.00 0.00 C ATOM 1138 C VAL B 17 -3.337 -6.793 8.170 1.00 0.00 C ATOM 1139 O VAL B 17 -2.304 -6.166 8.394 1.00 0.00 O ATOM 1140 CB VAL B 17 -4.821 -5.721 6.493 1.00 0.00 C ATOM 1141 CG1 VAL B 17 -6.278 -5.727 6.081 1.00 0.00 C ATOM 1142 CG2 VAL B 17 -4.179 -4.379 6.193 1.00 0.00 C ATOM 0 H VAL B 17 -3.852 -4.510 9.126 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.481 -6.726 8.289 1.00 0.00 H new ATOM 0 HB VAL B 17 -4.309 -6.485 5.909 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -6.358 -5.476 5.023 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -6.700 -6.717 6.252 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.826 -4.992 6.671 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -4.299 -4.147 5.135 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.658 -3.604 6.792 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -3.117 -4.421 6.437 1.00 0.00 H new ATOM 1152 N GLU B 18 -3.373 -8.116 8.072 1.00 0.00 N ATOM 1153 CA GLU B 18 -2.173 -8.927 8.229 1.00 0.00 C ATOM 1154 C GLU B 18 -1.238 -8.758 7.033 1.00 0.00 C ATOM 1155 O GLU B 18 -1.676 -8.804 5.884 1.00 0.00 O ATOM 1156 CB GLU B 18 -2.551 -10.400 8.390 1.00 0.00 C ATOM 1157 CG GLU B 18 -3.495 -10.659 9.552 1.00 0.00 C ATOM 1158 CD GLU B 18 -3.863 -12.123 9.690 1.00 0.00 C ATOM 1159 OE1 GLU B 18 -2.947 -12.949 9.887 1.00 0.00 O ATOM 1160 OE2 GLU B 18 -5.066 -12.444 9.600 1.00 0.00 O ATOM 0 H GLU B 18 -4.221 -8.650 7.884 1.00 0.00 H new ATOM 0 HA GLU B 18 -1.650 -8.590 9.124 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -3.016 -10.750 7.469 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -1.643 -10.987 8.532 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -3.030 -10.317 10.476 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -4.403 -10.071 9.415 1.00 0.00 H new ATOM 1167 N PRO B 19 0.068 -8.565 7.286 1.00 0.00 N ATOM 1168 CA PRO B 19 1.065 -8.395 6.226 1.00 0.00 C ATOM 1169 C PRO B 19 1.082 -9.572 5.257 1.00 0.00 C ATOM 1170 O PRO B 19 1.261 -9.396 4.052 1.00 0.00 O ATOM 1171 CB PRO B 19 2.395 -8.322 6.983 1.00 0.00 C ATOM 1172 CG PRO B 19 2.107 -8.859 8.340 1.00 0.00 C ATOM 1173 CD PRO B 19 0.682 -8.498 8.620 1.00 0.00 C ATOM 0 HA PRO B 19 0.857 -7.515 5.617 1.00 0.00 H new ATOM 0 HB2 PRO B 19 3.165 -8.910 6.483 1.00 0.00 H new ATOM 0 HB3 PRO B 19 2.761 -7.297 7.036 1.00 0.00 H new ATOM 0 HG2 PRO B 19 2.252 -9.939 8.373 1.00 0.00 H new ATOM 0 HG3 PRO B 19 2.775 -8.425 9.084 1.00 0.00 H new ATOM 0 HD2 PRO B 19 0.216 -9.195 9.316 1.00 0.00 H new ATOM 0 HD3 PRO B 19 0.594 -7.504 9.058 1.00 0.00 H new ATOM 1181 N SER B 20 0.897 -10.772 5.795 1.00 0.00 N ATOM 1182 CA SER B 20 0.891 -11.983 4.986 1.00 0.00 C ATOM 1183 C SER B 20 -0.273 -11.964 4.006 1.00 0.00 C ATOM 1184 O SER B 20 -0.221 -12.596 2.951 1.00 0.00 O ATOM 1185 CB SER B 20 0.803 -13.221 5.879 1.00 0.00 C ATOM 1186 OG SER B 20 -0.383 -13.207 6.656 1.00 0.00 O ATOM 0 H SER B 20 0.749 -10.931 6.791 1.00 0.00 H new ATOM 0 HA SER B 20 1.823 -12.022 4.422 1.00 0.00 H new ATOM 0 HB2 SER B 20 0.827 -14.120 5.263 1.00 0.00 H new ATOM 0 HB3 SER B 20 1.672 -13.262 6.536 1.00 0.00 H new ATOM 0 HG SER B 20 -0.416 -14.010 7.217 1.00 0.00 H new ATOM 1192 N ASP B 21 -1.321 -11.234 4.365 1.00 0.00 N ATOM 1193 CA ASP B 21 -2.503 -11.127 3.518 1.00 0.00 C ATOM 1194 C ASP B 21 -2.148 -10.514 2.167 1.00 0.00 C ATOM 1195 O ASP B 21 -1.469 -9.488 2.097 1.00 0.00 O ATOM 1196 CB ASP B 21 -3.582 -10.294 4.214 1.00 0.00 C ATOM 1197 CG ASP B 21 -4.117 -10.965 5.464 1.00 0.00 C ATOM 1198 OD1 ASP B 21 -3.650 -12.077 5.789 1.00 0.00 O ATOM 1199 OD2 ASP B 21 -5.005 -10.377 6.119 1.00 0.00 O ATOM 0 H ASP B 21 -1.377 -10.707 5.237 1.00 0.00 H new ATOM 0 HA ASP B 21 -2.892 -12.130 3.346 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -3.171 -9.319 4.476 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -4.404 -10.117 3.520 1.00 0.00 H new ATOM 1204 N THR B 22 -2.606 -11.155 1.096 1.00 0.00 N ATOM 1205 CA THR B 22 -2.336 -10.684 -0.259 1.00 0.00 C ATOM 1206 C THR B 22 -2.903 -9.289 -0.490 1.00 0.00 C ATOM 1207 O THR B 22 -3.945 -8.930 0.059 1.00 0.00 O ATOM 1208 CB THR B 22 -2.915 -11.642 -1.314 1.00 0.00 C ATOM 1209 OG1 THR B 22 -4.324 -11.802 -1.114 1.00 0.00 O ATOM 1210 CG2 THR B 22 -2.230 -12.997 -1.245 1.00 0.00 C ATOM 0 H THR B 22 -3.168 -12.005 1.140 1.00 0.00 H new ATOM 0 HA THR B 22 -1.252 -10.649 -0.364 1.00 0.00 H new ATOM 0 HB THR B 22 -2.738 -11.211 -2.300 1.00 0.00 H new ATOM 0 HG1 THR B 22 -4.683 -12.412 -1.791 1.00 0.00 H new ATOM 0 HG21 THR B 22 -2.655 -13.659 -2.000 1.00 0.00 H new ATOM 0 HG22 THR B 22 -1.163 -12.875 -1.429 1.00 0.00 H new ATOM 0 HG23 THR B 22 -2.380 -13.431 -0.256 1.00 0.00 H new ATOM 1218 N ILE B 23 -2.205 -8.507 -1.310 1.00 0.00 N ATOM 1219 CA ILE B 23 -2.629 -7.148 -1.622 1.00 0.00 C ATOM 1220 C ILE B 23 -4.055 -7.129 -2.171 1.00 0.00 C ATOM 1221 O ILE B 23 -4.832 -6.225 -1.875 1.00 0.00 O ATOM 1222 CB ILE B 23 -1.686 -6.481 -2.645 1.00 0.00 C ATOM 1223 CG1 ILE B 23 -0.238 -6.529 -2.148 1.00 0.00 C ATOM 1224 CG2 ILE B 23 -2.114 -5.043 -2.899 1.00 0.00 C ATOM 1225 CD1 ILE B 23 0.758 -5.924 -3.116 1.00 0.00 C ATOM 0 H ILE B 23 -1.341 -8.794 -1.771 1.00 0.00 H new ATOM 0 HA ILE B 23 -2.593 -6.585 -0.689 1.00 0.00 H new ATOM 0 HB ILE B 23 -1.747 -7.032 -3.584 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -0.172 -6.002 -1.196 1.00 0.00 H new ATOM 0 HG13 ILE B 23 0.037 -7.566 -1.958 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -1.440 -4.585 -3.623 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.131 -5.030 -3.292 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -2.079 -4.482 -1.965 1.00 0.00 H new ATOM 0 HD11 ILE B 23 1.762 -5.994 -2.696 1.00 0.00 H new ATOM 0 HD12 ILE B 23 0.721 -6.465 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE B 23 0.509 -4.877 -3.288 1.00 0.00 H new ATOM 1237 N GLU B 24 -4.391 -8.132 -2.975 1.00 0.00 N ATOM 1238 CA GLU B 24 -5.723 -8.224 -3.563 1.00 0.00 C ATOM 1239 C GLU B 24 -6.798 -8.320 -2.483 1.00 0.00 C ATOM 1240 O GLU B 24 -7.845 -7.681 -2.578 1.00 0.00 O ATOM 1241 CB GLU B 24 -5.809 -9.431 -4.501 1.00 0.00 C ATOM 1242 CG GLU B 24 -5.502 -10.755 -3.822 1.00 0.00 C ATOM 1243 CD GLU B 24 -5.597 -11.933 -4.770 1.00 0.00 C ATOM 1244 OE1 GLU B 24 -6.691 -12.156 -5.331 1.00 0.00 O ATOM 1245 OE2 GLU B 24 -4.580 -12.633 -4.952 1.00 0.00 O ATOM 0 H GLU B 24 -3.761 -8.891 -3.234 1.00 0.00 H new ATOM 0 HA GLU B 24 -5.899 -7.315 -4.137 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -6.810 -9.476 -4.930 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -5.114 -9.287 -5.328 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -4.499 -10.716 -3.396 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -6.195 -10.903 -2.994 1.00 0.00 H new ATOM 1252 N ASN B 25 -6.532 -9.125 -1.458 1.00 0.00 N ATOM 1253 CA ASN B 25 -7.479 -9.306 -0.362 1.00 0.00 C ATOM 1254 C ASN B 25 -7.629 -8.031 0.462 1.00 0.00 C ATOM 1255 O ASN B 25 -8.742 -7.623 0.791 1.00 0.00 O ATOM 1256 CB ASN B 25 -7.032 -10.457 0.543 1.00 0.00 C ATOM 1257 CG ASN B 25 -7.018 -11.799 -0.166 1.00 0.00 C ATOM 1258 OD1 ASN B 25 -7.397 -11.811 -1.441 1.00 0.00 O flip ATOM 1259 ND2 ASN B 25 -6.668 -12.819 0.427 1.00 0.00 N flip ATOM 0 H ASN B 25 -5.670 -9.662 -1.364 1.00 0.00 H new ATOM 0 HA ASN B 25 -8.448 -9.545 -0.800 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -6.034 -10.244 0.926 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -7.698 -10.514 1.404 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -6.384 -12.768 1.405 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -6.662 -13.715 -0.060 1.00 0.00 H new ATOM 1266 N VAL B 26 -6.502 -7.413 0.805 1.00 0.00 N ATOM 1267 CA VAL B 26 -6.514 -6.194 1.603 1.00 0.00 C ATOM 1268 C VAL B 26 -7.246 -5.064 0.877 1.00 0.00 C ATOM 1269 O VAL B 26 -8.016 -4.324 1.488 1.00 0.00 O ATOM 1270 CB VAL B 26 -5.083 -5.747 1.974 1.00 0.00 C ATOM 1271 CG1 VAL B 26 -4.324 -5.263 0.751 1.00 0.00 C ATOM 1272 CG2 VAL B 26 -5.115 -4.670 3.042 1.00 0.00 C ATOM 0 H VAL B 26 -5.571 -7.737 0.543 1.00 0.00 H new ATOM 0 HA VAL B 26 -7.051 -6.420 2.524 1.00 0.00 H new ATOM 0 HB VAL B 26 -4.558 -6.614 2.375 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -3.320 -4.955 1.044 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -4.258 -6.070 0.021 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -4.849 -4.416 0.309 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -4.096 -4.371 3.287 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -5.668 -3.807 2.672 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.604 -5.058 3.935 1.00 0.00 H new ATOM 1282 N LYS B 27 -7.018 -4.942 -0.433 1.00 0.00 N ATOM 1283 CA LYS B 27 -7.680 -3.907 -1.224 1.00 0.00 C ATOM 1284 C LYS B 27 -9.177 -4.175 -1.293 1.00 0.00 C ATOM 1285 O LYS B 27 -9.992 -3.268 -1.125 1.00 0.00 O ATOM 1286 CB LYS B 27 -7.102 -3.834 -2.640 1.00 0.00 C ATOM 1287 CG LYS B 27 -5.648 -3.396 -2.687 1.00 0.00 C ATOM 1288 CD LYS B 27 -5.199 -3.076 -4.107 1.00 0.00 C ATOM 1289 CE LYS B 27 -5.375 -4.261 -5.045 1.00 0.00 C ATOM 1290 NZ LYS B 27 -4.550 -5.428 -4.634 1.00 0.00 N ATOM 0 H LYS B 27 -6.386 -5.542 -0.963 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.505 -2.950 -0.733 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -7.192 -4.813 -3.110 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -7.700 -3.140 -3.231 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.513 -2.517 -2.056 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.018 -4.184 -2.275 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -5.770 -2.228 -4.485 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -4.151 -2.776 -4.096 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -6.425 -4.551 -5.069 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -5.103 -3.964 -6.058 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -4.824 -6.261 -5.193 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -3.545 -5.217 -4.797 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.703 -5.623 -3.624 1.00 0.00 H new ATOM 1304 N ALA B 28 -9.531 -5.434 -1.536 1.00 0.00 N ATOM 1305 CA ALA B 28 -10.927 -5.835 -1.620 1.00 0.00 C ATOM 1306 C ALA B 28 -11.659 -5.494 -0.328 1.00 0.00 C ATOM 1307 O ALA B 28 -12.868 -5.267 -0.324 1.00 0.00 O ATOM 1308 CB ALA B 28 -11.037 -7.323 -1.918 1.00 0.00 C ATOM 0 H ALA B 28 -8.866 -6.194 -1.678 1.00 0.00 H new ATOM 0 HA ALA B 28 -11.395 -5.285 -2.436 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -12.088 -7.605 -1.977 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -10.549 -7.541 -2.868 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -10.553 -7.890 -1.123 1.00 0.00 H new ATOM 1314 N LYS B 29 -10.908 -5.456 0.767 1.00 0.00 N ATOM 1315 CA LYS B 29 -11.465 -5.134 2.071 1.00 0.00 C ATOM 1316 C LYS B 29 -11.972 -3.703 2.075 1.00 0.00 C ATOM 1317 O LYS B 29 -13.063 -3.419 2.566 1.00 0.00 O ATOM 1318 CB LYS B 29 -10.399 -5.309 3.153 1.00 0.00 C ATOM 1319 CG LYS B 29 -10.947 -5.234 4.564 1.00 0.00 C ATOM 1320 CD LYS B 29 -11.740 -6.482 4.908 1.00 0.00 C ATOM 1321 CE LYS B 29 -12.316 -6.414 6.312 1.00 0.00 C ATOM 1322 NZ LYS B 29 -13.269 -5.281 6.468 1.00 0.00 N ATOM 0 H LYS B 29 -9.906 -5.646 0.774 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.295 -5.809 2.278 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -9.907 -6.272 3.014 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -9.636 -4.540 3.027 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.126 -5.115 5.271 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.584 -4.355 4.664 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -12.549 -6.608 4.189 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.096 -7.357 4.821 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.825 -7.350 6.541 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -11.505 -6.308 7.032 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -13.288 -4.978 7.463 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.965 -4.487 5.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -14.221 -5.586 6.181 1.00 0.00 H new ATOM 1336 N ILE B 30 -11.171 -2.807 1.508 1.00 0.00 N ATOM 1337 CA ILE B 30 -11.539 -1.407 1.429 1.00 0.00 C ATOM 1338 C ILE B 30 -12.864 -1.262 0.692 1.00 0.00 C ATOM 1339 O ILE B 30 -13.654 -0.369 0.991 1.00 0.00 O ATOM 1340 CB ILE B 30 -10.454 -0.572 0.728 1.00 0.00 C ATOM 1341 CG1 ILE B 30 -9.098 -0.807 1.401 1.00 0.00 C ATOM 1342 CG2 ILE B 30 -10.821 0.906 0.765 1.00 0.00 C ATOM 1343 CD1 ILE B 30 -7.954 -0.061 0.750 1.00 0.00 C ATOM 0 H ILE B 30 -10.264 -3.030 1.098 1.00 0.00 H new ATOM 0 HA ILE B 30 -11.642 -1.030 2.447 1.00 0.00 H new ATOM 0 HB ILE B 30 -10.385 -0.883 -0.314 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -9.166 -0.508 2.447 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -8.877 -1.874 1.388 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -10.045 1.486 0.266 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -11.772 1.058 0.255 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -10.909 1.233 1.801 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -7.028 -0.278 1.283 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -7.858 -0.377 -0.289 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -8.151 1.010 0.786 1.00 0.00 H new ATOM 1355 N GLN B 31 -13.117 -2.177 -0.247 1.00 0.00 N ATOM 1356 CA GLN B 31 -14.370 -2.172 -0.986 1.00 0.00 C ATOM 1357 C GLN B 31 -15.501 -2.286 0.012 1.00 0.00 C ATOM 1358 O GLN B 31 -16.457 -1.512 -0.008 1.00 0.00 O ATOM 1359 CB GLN B 31 -14.434 -3.348 -1.960 1.00 0.00 C ATOM 1360 CG GLN B 31 -13.306 -3.374 -2.971 1.00 0.00 C ATOM 1361 CD GLN B 31 -13.419 -4.543 -3.926 1.00 0.00 C ATOM 1362 OE1 GLN B 31 -13.257 -5.699 -3.538 1.00 0.00 O ATOM 1363 NE2 GLN B 31 -13.722 -4.244 -5.179 1.00 0.00 N ATOM 0 H GLN B 31 -12.473 -2.923 -0.508 1.00 0.00 H new ATOM 0 HA GLN B 31 -14.448 -1.250 -1.562 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -14.420 -4.278 -1.392 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -15.384 -3.314 -2.492 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -13.307 -2.443 -3.538 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -12.352 -3.427 -2.447 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -13.847 -3.270 -5.455 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -13.831 -4.988 -5.869 1.00 0.00 H new ATOM 1372 N ASP B 32 -15.351 -3.249 0.910 1.00 0.00 N ATOM 1373 CA ASP B 32 -16.323 -3.469 1.962 1.00 0.00 C ATOM 1374 C ASP B 32 -16.396 -2.221 2.830 1.00 0.00 C ATOM 1375 O ASP B 32 -17.465 -1.818 3.288 1.00 0.00 O ATOM 1376 CB ASP B 32 -15.934 -4.682 2.810 1.00 0.00 C ATOM 1377 CG ASP B 32 -15.849 -5.956 1.993 1.00 0.00 C ATOM 1378 OD1 ASP B 32 -16.873 -6.347 1.395 1.00 0.00 O ATOM 1379 OD2 ASP B 32 -14.757 -6.562 1.952 1.00 0.00 O ATOM 0 H ASP B 32 -14.559 -3.892 0.928 1.00 0.00 H new ATOM 0 HA ASP B 32 -17.299 -3.668 1.519 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -14.972 -4.495 3.287 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -16.665 -4.813 3.608 1.00 0.00 H new ATOM 1384 N LYS B 33 -15.231 -1.613 3.028 1.00 0.00 N ATOM 1385 CA LYS B 33 -15.105 -0.397 3.816 1.00 0.00 C ATOM 1386 C LYS B 33 -15.809 0.773 3.134 1.00 0.00 C ATOM 1387 O LYS B 33 -16.217 1.731 3.790 1.00 0.00 O ATOM 1388 CB LYS B 33 -13.624 -0.071 4.038 1.00 0.00 C ATOM 1389 CG LYS B 33 -12.984 -0.873 5.160 1.00 0.00 C ATOM 1390 CD LYS B 33 -13.609 -0.545 6.507 1.00 0.00 C ATOM 1391 CE LYS B 33 -12.930 -1.297 7.639 1.00 0.00 C ATOM 1392 NZ LYS B 33 -13.038 -2.772 7.471 1.00 0.00 N ATOM 0 H LYS B 33 -14.348 -1.952 2.645 1.00 0.00 H new ATOM 0 HA LYS B 33 -15.584 -0.561 4.781 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -13.078 -0.256 3.113 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -13.524 0.991 4.260 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -13.095 -1.938 4.956 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -11.915 -0.664 5.194 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -13.539 0.527 6.689 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -14.669 -0.797 6.487 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -11.879 -1.013 7.684 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -13.379 -1.006 8.589 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -13.151 -3.220 8.403 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -13.862 -2.994 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -12.176 -3.134 7.016 1.00 0.00 H new ATOM 1406 N GLU B 34 -15.945 0.690 1.813 1.00 0.00 N ATOM 1407 CA GLU B 34 -16.599 1.743 1.044 1.00 0.00 C ATOM 1408 C GLU B 34 -17.237 1.181 -0.224 1.00 0.00 C ATOM 1409 O GLU B 34 -18.415 0.822 -0.226 1.00 0.00 O ATOM 1410 CB GLU B 34 -15.596 2.842 0.683 1.00 0.00 C ATOM 1411 CG GLU B 34 -16.203 3.996 -0.101 1.00 0.00 C ATOM 1412 CD GLU B 34 -17.253 4.758 0.687 1.00 0.00 C ATOM 1413 OE1 GLU B 34 -18.256 4.138 1.100 1.00 0.00 O ATOM 1414 OE2 GLU B 34 -17.074 5.977 0.888 1.00 0.00 O ATOM 0 H GLU B 34 -15.611 -0.095 1.254 1.00 0.00 H new ATOM 0 HA GLU B 34 -17.387 2.171 1.664 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -15.153 3.231 1.600 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -14.787 2.404 0.099 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -15.411 4.683 -0.399 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -16.652 3.610 -1.016 1.00 0.00 H new ATOM 1421 N GLY B 35 -16.459 1.101 -1.303 1.00 0.00 N ATOM 1422 CA GLY B 35 -16.987 0.578 -2.551 1.00 0.00 C ATOM 1423 C GLY B 35 -16.143 0.944 -3.759 1.00 0.00 C ATOM 1424 O GLY B 35 -16.642 1.554 -4.705 1.00 0.00 O ATOM 0 H GLY B 35 -15.480 1.387 -1.334 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -17.058 -0.507 -2.481 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -17.999 0.955 -2.696 1.00 0.00 H new ATOM 1428 N ILE B 36 -14.866 0.573 -3.734 1.00 0.00 N ATOM 1429 CA ILE B 36 -13.967 0.870 -4.843 1.00 0.00 C ATOM 1430 C ILE B 36 -13.114 -0.333 -5.222 1.00 0.00 C ATOM 1431 O ILE B 36 -12.410 -0.895 -4.384 1.00 0.00 O ATOM 1432 CB ILE B 36 -13.015 2.039 -4.527 1.00 0.00 C ATOM 1433 CG1 ILE B 36 -13.029 2.374 -3.031 1.00 0.00 C ATOM 1434 CG2 ILE B 36 -13.374 3.258 -5.356 1.00 0.00 C ATOM 1435 CD1 ILE B 36 -12.501 1.264 -2.150 1.00 0.00 C ATOM 0 H ILE B 36 -14.432 0.068 -2.961 1.00 0.00 H new ATOM 0 HA ILE B 36 -14.618 1.142 -5.674 1.00 0.00 H new ATOM 0 HB ILE B 36 -12.003 1.731 -4.790 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -12.434 3.272 -2.864 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -14.050 2.608 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -12.691 4.073 -5.119 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -13.294 3.014 -6.415 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -14.396 3.564 -5.130 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -12.543 1.576 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.110 0.370 -2.286 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -11.469 1.044 -2.421 1.00 0.00 H new ATOM 1447 N PRO B 37 -13.152 -0.725 -6.506 1.00 0.00 N ATOM 1448 CA PRO B 37 -12.368 -1.850 -7.020 1.00 0.00 C ATOM 1449 C PRO B 37 -10.927 -1.836 -6.511 1.00 0.00 C ATOM 1450 O PRO B 37 -10.335 -0.772 -6.335 1.00 0.00 O ATOM 1451 CB PRO B 37 -12.392 -1.607 -8.523 1.00 0.00 C ATOM 1452 CG PRO B 37 -13.710 -0.965 -8.768 1.00 0.00 C ATOM 1453 CD PRO B 37 -13.961 -0.092 -7.570 1.00 0.00 C ATOM 0 HA PRO B 37 -12.771 -2.814 -6.708 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -11.571 -0.962 -8.835 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -12.294 -2.540 -9.079 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -13.695 -0.377 -9.686 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -14.496 -1.712 -8.880 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -13.651 0.937 -7.751 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -15.019 -0.065 -7.308 1.00 0.00 H new ATOM 1461 N PRO B 38 -10.342 -3.022 -6.273 1.00 0.00 N ATOM 1462 CA PRO B 38 -8.963 -3.137 -5.788 1.00 0.00 C ATOM 1463 C PRO B 38 -7.958 -2.517 -6.754 1.00 0.00 C ATOM 1464 O PRO B 38 -6.953 -1.943 -6.337 1.00 0.00 O ATOM 1465 CB PRO B 38 -8.737 -4.650 -5.678 1.00 0.00 C ATOM 1466 CG PRO B 38 -9.790 -5.264 -6.536 1.00 0.00 C ATOM 1467 CD PRO B 38 -10.969 -4.340 -6.464 1.00 0.00 C ATOM 0 HA PRO B 38 -8.821 -2.607 -4.846 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -7.740 -4.925 -6.020 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -8.824 -4.987 -4.645 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -9.442 -5.374 -7.563 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -10.052 -6.260 -6.180 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -11.566 -4.375 -7.375 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -11.633 -4.595 -5.638 1.00 0.00 H new ATOM 1475 N ASP B 39 -8.239 -2.638 -8.048 1.00 0.00 N ATOM 1476 CA ASP B 39 -7.362 -2.094 -9.077 1.00 0.00 C ATOM 1477 C ASP B 39 -7.263 -0.578 -8.964 1.00 0.00 C ATOM 1478 O ASP B 39 -6.195 -0.001 -9.171 1.00 0.00 O ATOM 1479 CB ASP B 39 -7.870 -2.480 -10.469 1.00 0.00 C ATOM 1480 CG ASP B 39 -7.938 -3.982 -10.669 1.00 0.00 C ATOM 1481 OD1 ASP B 39 -7.639 -4.725 -9.710 1.00 0.00 O ATOM 1482 OD2 ASP B 39 -8.291 -4.416 -11.784 1.00 0.00 O ATOM 0 H ASP B 39 -9.069 -3.109 -8.408 1.00 0.00 H new ATOM 0 HA ASP B 39 -6.368 -2.517 -8.930 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -8.861 -2.052 -10.622 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -7.215 -2.046 -11.224 1.00 0.00 H new ATOM 1487 N GLN B 40 -8.381 0.063 -8.638 1.00 0.00 N ATOM 1488 CA GLN B 40 -8.415 1.510 -8.505 1.00 0.00 C ATOM 1489 C GLN B 40 -7.525 1.977 -7.357 1.00 0.00 C ATOM 1490 O GLN B 40 -6.876 3.019 -7.448 1.00 0.00 O ATOM 1491 CB GLN B 40 -9.851 1.989 -8.298 1.00 0.00 C ATOM 1492 CG GLN B 40 -10.751 1.718 -9.494 1.00 0.00 C ATOM 1493 CD GLN B 40 -12.191 2.139 -9.268 1.00 0.00 C ATOM 1494 OE1 GLN B 40 -12.510 2.558 -8.048 1.00 0.00 O flip ATOM 1495 NE2 GLN B 40 -13.015 2.076 -10.180 1.00 0.00 N flip ATOM 0 H GLN B 40 -9.273 -0.399 -8.462 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.029 1.945 -9.427 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -10.268 1.498 -7.419 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.844 3.059 -8.092 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -10.358 2.245 -10.363 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -10.723 0.654 -9.727 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.730 1.749 -11.103 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.983 2.351 -10.013 1.00 0.00 H new ATOM 1504 N GLN B 41 -7.504 1.200 -6.280 1.00 0.00 N ATOM 1505 CA GLN B 41 -6.697 1.530 -5.109 1.00 0.00 C ATOM 1506 C GLN B 41 -5.236 1.744 -5.492 1.00 0.00 C ATOM 1507 O GLN B 41 -4.635 0.910 -6.170 1.00 0.00 O ATOM 1508 CB GLN B 41 -6.799 0.414 -4.069 1.00 0.00 C ATOM 1509 CG GLN B 41 -8.227 0.063 -3.690 1.00 0.00 C ATOM 1510 CD GLN B 41 -8.984 1.235 -3.100 1.00 0.00 C ATOM 1511 OE1 GLN B 41 -9.371 1.109 -1.839 1.00 0.00 O flip ATOM 1512 NE2 GLN B 41 -9.214 2.245 -3.768 1.00 0.00 N flip ATOM 0 H GLN B 41 -8.038 0.335 -6.193 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.082 2.458 -4.685 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -6.305 -0.478 -4.456 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -6.258 0.714 -3.172 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -8.754 -0.296 -4.574 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -8.216 -0.756 -2.970 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -8.897 2.299 -4.736 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -9.721 3.027 -3.353 1.00 0.00 H new ATOM 1521 N ARG B 42 -4.670 2.866 -5.056 1.00 0.00 N ATOM 1522 CA ARG B 42 -3.283 3.186 -5.353 1.00 0.00 C ATOM 1523 C ARG B 42 -2.369 2.806 -4.196 1.00 0.00 C ATOM 1524 O ARG B 42 -2.572 3.246 -3.067 1.00 0.00 O ATOM 1525 CB ARG B 42 -3.134 4.675 -5.668 1.00 0.00 C ATOM 1526 CG ARG B 42 -3.928 5.128 -6.882 1.00 0.00 C ATOM 1527 CD ARG B 42 -3.748 6.615 -7.141 1.00 0.00 C ATOM 1528 NE ARG B 42 -4.504 7.064 -8.308 1.00 0.00 N ATOM 1529 CZ ARG B 42 -4.520 8.323 -8.737 1.00 0.00 C ATOM 1530 NH1 ARG B 42 -3.825 9.254 -8.097 1.00 0.00 N ATOM 1531 NH2 ARG B 42 -5.232 8.652 -9.807 1.00 0.00 N ATOM 0 H ARG B 42 -5.154 3.568 -4.495 1.00 0.00 H new ATOM 0 HA ARG B 42 -2.988 2.605 -6.227 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -3.452 5.254 -4.801 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -2.080 4.899 -5.831 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -3.609 4.564 -7.758 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -4.985 4.909 -6.729 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -4.068 7.177 -6.264 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -2.690 6.831 -7.289 1.00 0.00 H new ATOM 0 HE ARG B 42 -5.050 6.373 -8.823 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -3.277 9.005 -7.274 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -3.839 10.219 -8.428 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -5.768 7.939 -10.302 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -5.243 9.618 -10.135 1.00 0.00 H new ATOM 1545 N LEU B 43 -1.354 1.992 -4.483 1.00 0.00 N ATOM 1546 CA LEU B 43 -0.410 1.568 -3.455 1.00 0.00 C ATOM 1547 C LEU B 43 0.621 2.653 -3.176 1.00 0.00 C ATOM 1548 O LEU B 43 1.209 3.220 -4.098 1.00 0.00 O ATOM 1549 CB LEU B 43 0.300 0.274 -3.861 1.00 0.00 C ATOM 1550 CG LEU B 43 -0.613 -0.937 -4.058 1.00 0.00 C ATOM 1551 CD1 LEU B 43 0.215 -2.193 -4.287 1.00 0.00 C ATOM 1552 CD2 LEU B 43 -1.527 -1.118 -2.857 1.00 0.00 C ATOM 0 H LEU B 43 -1.167 1.616 -5.413 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.981 1.385 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.844 0.453 -4.788 1.00 0.00 H new ATOM 0 HB3 LEU B 43 1.040 0.030 -3.099 1.00 0.00 H new ATOM 0 HG LEU B 43 -1.231 -0.762 -4.938 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -0.449 -3.046 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU B 43 0.832 -2.065 -5.177 1.00 0.00 H new ATOM 0 HD13 LEU B 43 0.856 -2.369 -3.423 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -2.169 -1.984 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -0.925 -1.272 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -2.143 -0.228 -2.731 1.00 0.00 H new ATOM 1564 N ILE B 44 0.842 2.929 -1.897 1.00 0.00 N ATOM 1565 CA ILE B 44 1.808 3.936 -1.481 1.00 0.00 C ATOM 1566 C ILE B 44 2.517 3.496 -0.206 1.00 0.00 C ATOM 1567 O ILE B 44 1.875 3.072 0.755 1.00 0.00 O ATOM 1568 CB ILE B 44 1.136 5.303 -1.252 1.00 0.00 C ATOM 1569 CG1 ILE B 44 0.460 5.779 -2.540 1.00 0.00 C ATOM 1570 CG2 ILE B 44 2.157 6.323 -0.770 1.00 0.00 C ATOM 1571 CD1 ILE B 44 -0.306 7.071 -2.382 1.00 0.00 C ATOM 0 H ILE B 44 0.361 2.466 -1.126 1.00 0.00 H new ATOM 0 HA ILE B 44 2.537 4.043 -2.285 1.00 0.00 H new ATOM 0 HB ILE B 44 0.374 5.195 -0.481 1.00 0.00 H new ATOM 0 HG12 ILE B 44 1.219 5.909 -3.312 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -0.221 5.004 -2.890 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.666 7.283 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.597 5.983 0.168 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.941 6.435 -1.519 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -0.757 7.345 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -1.088 6.941 -1.634 1.00 0.00 H new ATOM 0 HD13 ILE B 44 0.374 7.860 -2.062 1.00 0.00 H new ATOM 1583 N PHE B 45 3.842 3.587 -0.209 1.00 0.00 N ATOM 1584 CA PHE B 45 4.643 3.185 0.942 1.00 0.00 C ATOM 1585 C PHE B 45 5.554 4.324 1.392 1.00 0.00 C ATOM 1586 O PHE B 45 6.062 5.079 0.564 1.00 0.00 O ATOM 1587 CB PHE B 45 5.486 1.949 0.601 1.00 0.00 C ATOM 1588 CG PHE B 45 4.681 0.748 0.184 1.00 0.00 C ATOM 1589 CD1 PHE B 45 3.929 0.767 -0.980 1.00 0.00 C ATOM 1590 CD2 PHE B 45 4.678 -0.400 0.959 1.00 0.00 C ATOM 1591 CE1 PHE B 45 3.190 -0.336 -1.363 1.00 0.00 C ATOM 1592 CE2 PHE B 45 3.941 -1.506 0.581 1.00 0.00 C ATOM 1593 CZ PHE B 45 3.196 -1.475 -0.582 1.00 0.00 C ATOM 0 H PHE B 45 4.386 3.937 -0.998 1.00 0.00 H new ATOM 0 HA PHE B 45 3.963 2.939 1.758 1.00 0.00 H new ATOM 0 HB2 PHE B 45 6.178 2.205 -0.202 1.00 0.00 H new ATOM 0 HB3 PHE B 45 6.089 1.684 1.469 1.00 0.00 H new ATOM 0 HD1 PHE B 45 3.920 1.655 -1.595 1.00 0.00 H new ATOM 0 HD2 PHE B 45 5.258 -0.431 1.869 1.00 0.00 H new ATOM 0 HE1 PHE B 45 2.608 -0.307 -2.272 1.00 0.00 H new ATOM 0 HE2 PHE B 45 3.947 -2.395 1.195 1.00 0.00 H new ATOM 0 HZ PHE B 45 2.620 -2.339 -0.880 1.00 0.00 H new ATOM 1603 N ALA B 46 5.759 4.448 2.702 1.00 0.00 N ATOM 1604 CA ALA B 46 6.615 5.507 3.231 1.00 0.00 C ATOM 1605 C ALA B 46 7.228 5.114 4.572 1.00 0.00 C ATOM 1606 O ALA B 46 6.529 4.676 5.483 1.00 0.00 O ATOM 1607 CB ALA B 46 5.825 6.799 3.372 1.00 0.00 C ATOM 0 H ALA B 46 5.350 3.837 3.409 1.00 0.00 H new ATOM 0 HA ALA B 46 7.431 5.661 2.525 1.00 0.00 H new ATOM 0 HB1 ALA B 46 6.474 7.581 3.767 1.00 0.00 H new ATOM 0 HB2 ALA B 46 5.445 7.102 2.396 1.00 0.00 H new ATOM 0 HB3 ALA B 46 4.989 6.642 4.054 1.00 0.00 H new ATOM 1613 N GLY B 47 8.544 5.276 4.681 1.00 0.00 N ATOM 1614 CA GLY B 47 9.238 4.937 5.910 1.00 0.00 C ATOM 1615 C GLY B 47 8.897 5.872 7.054 1.00 0.00 C ATOM 1616 O GLY B 47 7.737 6.237 7.246 1.00 0.00 O ATOM 0 H GLY B 47 9.143 5.637 3.938 1.00 0.00 H new ATOM 0 HA2 GLY B 47 8.986 3.915 6.194 1.00 0.00 H new ATOM 0 HA3 GLY B 47 10.313 4.963 5.734 1.00 0.00 H new