USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 469 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 THR OG1 : rot 180:sc= -0.483 USER MOD Set 1.2: A 84 GLN : amide:sc= -0.875 K(o=-1.4,f=-2.4) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -132:sc= -3.02! (180deg=-8.79!) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= -0.021 (180deg=-0.481) USER MOD Single : A 78 GLN : amide:sc= -2.97! C(o=-3!,f=-4.7!) USER MOD Single : A 79 MET CE :methyl 156:sc= -0.157 (180deg=-0.843) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -36:sc= 0.77 USER MOD Single : A 94 GLN :FLIP amide:sc= -3.71! C(o=-4.2!,f=-3.7!) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 112 LYS NZ :NH3+ 160:sc= -0.0453 (180deg=-0.594) USER MOD Single : A 117 SER OG : rot 74:sc= 0.611 USER MOD Single : A 119 ASN : amide:sc= -0.0449 X(o=-0.045,f=-0.37) USER MOD Single : A 120 SER OG : rot 180:sc= -0.0436 USER MOD Single : A 121 CYS SG : rot -59:sc= 0.132 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -3:sc= 0.304 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 0.485 -23.366 -1.688 1.00 0.00 N ATOM 2 CA GLY A -4 -0.366 -22.921 -0.548 1.00 0.00 C ATOM 3 C GLY A -4 -1.736 -23.583 -0.648 1.00 0.00 C ATOM 4 O GLY A -4 -2.223 -24.171 0.318 1.00 0.00 O ATOM 0 H1 GLY A -4 1.417 -23.658 -1.332 1.00 0.00 H new ATOM 0 H2 GLY A -4 0.030 -24.169 -2.168 1.00 0.00 H new ATOM 0 H3 GLY A -4 0.602 -22.582 -2.361 1.00 0.00 H new ATOM 0 HA2 GLY A -4 0.108 -23.183 0.398 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -0.472 -21.836 -0.561 1.00 0.00 H new ATOM 10 N PRO A -3 -2.363 -23.491 -1.792 1.00 0.00 N ATOM 11 CA PRO A -3 -3.714 -24.091 -2.023 1.00 0.00 C ATOM 12 C PRO A -3 -3.739 -25.586 -1.698 1.00 0.00 C ATOM 13 O PRO A -3 -4.719 -26.097 -1.154 1.00 0.00 O ATOM 14 CB PRO A -3 -3.965 -23.844 -3.522 1.00 0.00 C ATOM 15 CG PRO A -3 -3.106 -22.670 -3.863 1.00 0.00 C ATOM 16 CD PRO A -3 -1.858 -22.809 -2.994 1.00 0.00 C ATOM 0 HA PRO A -3 -4.478 -23.652 -1.382 1.00 0.00 H new ATOM 0 HB2 PRO A -3 -3.697 -24.717 -4.117 1.00 0.00 H new ATOM 0 HB3 PRO A -3 -5.017 -23.635 -3.718 1.00 0.00 H new ATOM 0 HG2 PRO A -3 -2.848 -22.667 -4.922 1.00 0.00 H new ATOM 0 HG3 PRO A -3 -3.624 -21.733 -3.659 1.00 0.00 H new ATOM 0 HD2 PRO A -3 -1.083 -23.391 -3.492 1.00 0.00 H new ATOM 0 HD3 PRO A -3 -1.423 -21.839 -2.754 1.00 0.00 H new ATOM 24 N LEU A -2 -2.654 -26.281 -2.039 1.00 0.00 N ATOM 25 CA LEU A -2 -2.554 -27.721 -1.787 1.00 0.00 C ATOM 26 C LEU A -2 -1.565 -27.996 -0.660 1.00 0.00 C ATOM 27 O LEU A -2 -1.716 -28.960 0.092 1.00 0.00 O ATOM 28 CB LEU A -2 -2.098 -28.437 -3.060 1.00 0.00 C ATOM 29 CG LEU A -2 -3.034 -28.077 -4.220 1.00 0.00 C ATOM 30 CD1 LEU A -2 -2.562 -28.785 -5.493 1.00 0.00 C ATOM 31 CD2 LEU A -2 -4.474 -28.507 -3.891 1.00 0.00 C ATOM 0 H LEU A -2 -1.834 -25.874 -2.489 1.00 0.00 H new ATOM 0 HA LEU A -2 -3.535 -28.094 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A -2 -1.075 -28.150 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A -2 -2.098 -29.515 -2.902 1.00 0.00 H new ATOM 0 HG LEU A -2 -3.015 -26.998 -4.374 1.00 0.00 H new ATOM 0 HD11 LEU A -2 -3.226 -28.530 -6.319 1.00 0.00 H new ATOM 0 HD12 LEU A -2 -1.547 -28.466 -5.732 1.00 0.00 H new ATOM 0 HD13 LEU A -2 -2.576 -29.864 -5.336 1.00 0.00 H new ATOM 0 HD21 LEU A -2 -5.130 -28.247 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A -2 -4.504 -29.584 -3.729 1.00 0.00 H new ATOM 0 HD23 LEU A -2 -4.810 -27.995 -2.989 1.00 0.00 H new ATOM 43 N GLY A -1 -0.555 -27.142 -0.542 1.00 0.00 N ATOM 44 CA GLY A -1 0.448 -27.302 0.504 1.00 0.00 C ATOM 45 C GLY A -1 1.579 -26.294 0.337 1.00 0.00 C ATOM 46 O GLY A -1 1.669 -25.607 -0.680 1.00 0.00 O ATOM 0 H GLY A -1 -0.409 -26.338 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -0.017 -27.173 1.481 1.00 0.00 H new ATOM 0 HA3 GLY A -1 0.851 -28.314 0.474 1.00 0.00 H new ATOM 50 N SER A 0 2.447 -26.217 1.341 1.00 0.00 N ATOM 51 CA SER A 0 3.575 -25.295 1.292 1.00 0.00 C ATOM 52 C SER A 0 4.636 -25.798 0.317 1.00 0.00 C ATOM 53 O SER A 0 5.517 -25.049 -0.104 1.00 0.00 O ATOM 54 CB SER A 0 4.186 -25.139 2.684 1.00 0.00 C ATOM 55 OG SER A 0 3.232 -24.538 3.550 1.00 0.00 O ATOM 0 H SER A 0 2.392 -26.777 2.192 1.00 0.00 H new ATOM 0 HA SER A 0 3.213 -24.326 0.948 1.00 0.00 H new ATOM 0 HB2 SER A 0 4.486 -26.112 3.073 1.00 0.00 H new ATOM 0 HB3 SER A 0 5.085 -24.525 2.633 1.00 0.00 H new ATOM 0 HG SER A 0 3.620 -24.438 4.444 1.00 0.00 H new ATOM 61 N ARG A 74 4.544 -27.072 -0.043 1.00 0.00 N ATOM 62 CA ARG A 74 5.498 -27.665 -0.971 1.00 0.00 C ATOM 63 C ARG A 74 5.244 -27.170 -2.389 1.00 0.00 C ATOM 64 O ARG A 74 6.076 -27.351 -3.280 1.00 0.00 O ATOM 65 CB ARG A 74 5.385 -29.189 -0.935 1.00 0.00 C ATOM 66 CG ARG A 74 5.893 -29.701 0.412 1.00 0.00 C ATOM 67 CD ARG A 74 5.687 -31.212 0.495 1.00 0.00 C ATOM 68 NE ARG A 74 6.121 -31.713 1.797 1.00 0.00 N ATOM 69 CZ ARG A 74 7.392 -32.022 2.031 1.00 0.00 C ATOM 70 NH1 ARG A 74 8.282 -31.886 1.087 1.00 0.00 N ATOM 71 NH2 ARG A 74 7.750 -32.462 3.207 1.00 0.00 N ATOM 0 H ARG A 74 3.823 -27.711 0.291 1.00 0.00 H new ATOM 0 HA ARG A 74 6.502 -27.368 -0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.349 -29.492 -1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.966 -29.628 -1.746 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.950 -29.461 0.529 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.362 -29.206 1.225 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.635 -31.451 0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.248 -31.706 -0.298 1.00 0.00 H new ATOM 0 HE ARG A 74 5.434 -31.828 2.542 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.003 -31.542 0.168 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.257 -32.123 1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.054 -32.568 3.945 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.725 -32.699 3.387 1.00 0.00 H new ATOM 85 N LYS A 75 4.085 -26.548 -2.598 1.00 0.00 N ATOM 86 CA LYS A 75 3.727 -26.039 -3.918 1.00 0.00 C ATOM 87 C LYS A 75 4.308 -24.651 -4.143 1.00 0.00 C ATOM 88 O LYS A 75 4.118 -24.048 -5.202 1.00 0.00 O ATOM 89 CB LYS A 75 2.196 -25.994 -4.066 1.00 0.00 C ATOM 90 CG LYS A 75 1.804 -26.054 -5.555 1.00 0.00 C ATOM 91 CD LYS A 75 1.704 -27.516 -6.012 1.00 0.00 C ATOM 92 CE LYS A 75 1.600 -27.564 -7.536 1.00 0.00 C ATOM 93 NZ LYS A 75 0.460 -26.716 -7.978 1.00 0.00 N ATOM 0 H LYS A 75 3.383 -26.386 -1.876 1.00 0.00 H new ATOM 0 HA LYS A 75 4.144 -26.712 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.747 -26.830 -3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.806 -25.081 -3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.850 -25.550 -5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.544 -25.526 -6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.579 -28.074 -5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.832 -27.991 -5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.527 -27.210 -7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.455 -28.591 -7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.213 -26.951 -8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.361 -26.891 -7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.730 -25.713 -7.919 1.00 0.00 H new ATOM 107 N ILE A 76 5.006 -24.147 -3.140 1.00 0.00 N ATOM 108 CA ILE A 76 5.611 -22.823 -3.230 1.00 0.00 C ATOM 109 C ILE A 76 6.986 -22.910 -3.879 1.00 0.00 C ATOM 110 O ILE A 76 7.860 -23.648 -3.421 1.00 0.00 O ATOM 111 CB ILE A 76 5.738 -22.208 -1.835 1.00 0.00 C ATOM 112 CG1 ILE A 76 4.386 -22.299 -1.114 1.00 0.00 C ATOM 113 CG2 ILE A 76 6.163 -20.742 -1.953 1.00 0.00 C ATOM 114 CD1 ILE A 76 3.275 -21.655 -1.958 1.00 0.00 C ATOM 0 H ILE A 76 5.169 -24.629 -2.256 1.00 0.00 H new ATOM 0 HA ILE A 76 4.970 -22.191 -3.845 1.00 0.00 H new ATOM 0 HB ILE A 76 6.491 -22.753 -1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.142 -23.343 -0.919 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.450 -21.800 -0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.252 -20.308 -0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.125 -20.682 -2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.415 -20.191 -2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.325 -21.731 -1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.512 -20.605 -2.131 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.199 -22.172 -2.915 1.00 0.00 H new ATOM 126 N ALA A 77 7.170 -22.151 -4.952 1.00 0.00 N ATOM 127 CA ALA A 77 8.440 -22.140 -5.668 1.00 0.00 C ATOM 128 C ALA A 77 9.499 -21.393 -4.867 1.00 0.00 C ATOM 129 O ALA A 77 9.183 -20.672 -3.921 1.00 0.00 O ATOM 130 CB ALA A 77 8.268 -21.478 -7.036 1.00 0.00 C ATOM 0 H ALA A 77 6.458 -21.536 -5.345 1.00 0.00 H new ATOM 0 HA ALA A 77 8.765 -23.171 -5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.223 -21.475 -7.562 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.534 -22.034 -7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.924 -20.452 -6.903 1.00 0.00 H new ATOM 136 N GLN A 78 10.759 -21.574 -5.250 1.00 0.00 N ATOM 137 CA GLN A 78 11.859 -20.914 -4.557 1.00 0.00 C ATOM 138 C GLN A 78 11.722 -19.400 -4.665 1.00 0.00 C ATOM 139 O GLN A 78 11.251 -18.880 -5.675 1.00 0.00 O ATOM 140 CB GLN A 78 13.192 -21.347 -5.171 1.00 0.00 C ATOM 141 CG GLN A 78 13.398 -22.845 -4.946 1.00 0.00 C ATOM 142 CD GLN A 78 12.476 -23.639 -5.864 1.00 0.00 C ATOM 143 OE1 GLN A 78 12.326 -23.302 -7.039 1.00 0.00 O ATOM 144 NE2 GLN A 78 11.848 -24.684 -5.398 1.00 0.00 N ATOM 0 H GLN A 78 11.042 -22.167 -6.030 1.00 0.00 H new ATOM 0 HA GLN A 78 11.829 -21.200 -3.506 1.00 0.00 H new ATOM 0 HB2 GLN A 78 13.202 -21.125 -6.238 1.00 0.00 H new ATOM 0 HB3 GLN A 78 14.011 -20.785 -4.721 1.00 0.00 H new ATOM 0 HG2 GLN A 78 14.437 -23.111 -5.141 1.00 0.00 H new ATOM 0 HG3 GLN A 78 13.194 -23.097 -3.905 1.00 0.00 H new ATOM 0 HE21 GLN A 78 11.973 -24.962 -4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 78 11.232 -25.223 -6.007 1.00 0.00 H new ATOM 153 N MET A 79 12.131 -18.696 -3.614 1.00 0.00 N ATOM 154 CA MET A 79 12.042 -17.242 -3.606 1.00 0.00 C ATOM 155 C MET A 79 13.144 -16.630 -4.465 1.00 0.00 C ATOM 156 O MET A 79 14.317 -16.976 -4.329 1.00 0.00 O ATOM 157 CB MET A 79 12.163 -16.722 -2.173 1.00 0.00 C ATOM 158 CG MET A 79 10.919 -17.117 -1.376 1.00 0.00 C ATOM 159 SD MET A 79 11.137 -16.631 0.355 1.00 0.00 S ATOM 160 CE MET A 79 11.074 -14.836 0.109 1.00 0.00 C ATOM 0 H MET A 79 12.523 -19.104 -2.766 1.00 0.00 H new ATOM 0 HA MET A 79 11.075 -16.954 -4.019 1.00 0.00 H new ATOM 0 HB2 MET A 79 13.055 -17.133 -1.701 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.275 -15.638 -2.177 1.00 0.00 H new ATOM 0 HG2 MET A 79 10.037 -16.632 -1.793 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.755 -18.192 -1.446 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.765 -14.352 1.036 1.00 0.00 H new ATOM 0 HE2 MET A 79 12.061 -14.473 -0.178 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.358 -14.602 -0.679 1.00 0.00 H new ATOM 170 N THR A 80 12.753 -15.710 -5.342 1.00 0.00 N ATOM 171 CA THR A 80 13.707 -15.038 -6.221 1.00 0.00 C ATOM 172 C THR A 80 14.388 -13.884 -5.491 1.00 0.00 C ATOM 173 O THR A 80 13.974 -13.497 -4.399 1.00 0.00 O ATOM 174 CB THR A 80 13.001 -14.517 -7.474 1.00 0.00 C ATOM 175 OG1 THR A 80 12.071 -13.509 -7.108 1.00 0.00 O ATOM 176 CG2 THR A 80 12.267 -15.668 -8.162 1.00 0.00 C ATOM 0 H THR A 80 11.785 -15.413 -5.463 1.00 0.00 H new ATOM 0 HA THR A 80 14.466 -15.762 -6.517 1.00 0.00 H new ATOM 0 HB THR A 80 13.738 -14.098 -8.159 1.00 0.00 H new ATOM 0 HG1 THR A 80 11.619 -13.174 -7.910 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.764 -15.297 -9.055 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.983 -16.440 -8.444 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.530 -16.089 -7.479 1.00 0.00 H new ATOM 184 N GLU A 82 15.431 -13.336 -6.104 1.00 0.00 N ATOM 185 CA GLU A 82 16.154 -12.225 -5.502 1.00 0.00 C ATOM 186 C GLU A 82 15.215 -11.041 -5.287 1.00 0.00 C ATOM 187 O GLU A 82 15.298 -10.349 -4.272 1.00 0.00 O ATOM 188 CB GLU A 82 17.312 -11.802 -6.409 1.00 0.00 C ATOM 189 CG GLU A 82 18.399 -12.879 -6.386 1.00 0.00 C ATOM 190 CD GLU A 82 19.482 -12.549 -7.407 1.00 0.00 C ATOM 191 OE1 GLU A 82 19.264 -11.651 -8.204 1.00 0.00 O ATOM 192 OE2 GLU A 82 20.516 -13.198 -7.378 1.00 0.00 O ATOM 0 H GLU A 82 15.791 -13.640 -7.009 1.00 0.00 H new ATOM 0 HA GLU A 82 16.550 -12.547 -4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.954 -11.653 -7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.722 -10.850 -6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 82 18.835 -12.946 -5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 82 17.962 -13.853 -6.609 1.00 0.00 H new ATOM 199 N GLU A 83 14.321 -10.817 -6.246 1.00 0.00 N ATOM 200 CA GLU A 83 13.367 -9.720 -6.145 1.00 0.00 C ATOM 201 C GLU A 83 12.439 -9.926 -4.952 1.00 0.00 C ATOM 202 O GLU A 83 12.101 -8.977 -4.243 1.00 0.00 O ATOM 203 CB GLU A 83 12.537 -9.627 -7.428 1.00 0.00 C ATOM 204 CG GLU A 83 13.437 -9.205 -8.591 1.00 0.00 C ATOM 205 CD GLU A 83 13.896 -7.763 -8.401 1.00 0.00 C ATOM 206 OE1 GLU A 83 13.270 -7.060 -7.625 1.00 0.00 O ATOM 207 OE2 GLU A 83 14.867 -7.383 -9.034 1.00 0.00 O ATOM 0 H GLU A 83 14.238 -11.376 -7.095 1.00 0.00 H new ATOM 0 HA GLU A 83 13.923 -8.793 -6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.074 -10.590 -7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.730 -8.906 -7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.302 -9.866 -8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.897 -9.302 -9.533 1.00 0.00 H new ATOM 214 N GLN A 84 12.034 -11.173 -4.728 1.00 0.00 N ATOM 215 CA GLN A 84 11.151 -11.491 -3.613 1.00 0.00 C ATOM 216 C GLN A 84 11.828 -11.175 -2.285 1.00 0.00 C ATOM 217 O GLN A 84 11.198 -10.658 -1.362 1.00 0.00 O ATOM 218 CB GLN A 84 10.769 -12.971 -3.652 1.00 0.00 C ATOM 219 CG GLN A 84 9.817 -13.225 -4.822 1.00 0.00 C ATOM 220 CD GLN A 84 9.490 -14.711 -4.916 1.00 0.00 C ATOM 221 OE1 GLN A 84 9.269 -15.365 -3.897 1.00 0.00 O ATOM 222 NE2 GLN A 84 9.452 -15.287 -6.086 1.00 0.00 N ATOM 0 H GLN A 84 12.302 -11.974 -5.300 1.00 0.00 H new ATOM 0 HA GLN A 84 10.252 -10.882 -3.704 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.663 -13.585 -3.758 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.294 -13.259 -2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.901 -12.651 -4.687 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.272 -12.885 -5.752 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.636 -14.742 -6.929 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.239 -16.282 -6.158 1.00 0.00 H new ATOM 231 N PHE A 85 13.115 -11.482 -2.198 1.00 0.00 N ATOM 232 CA PHE A 85 13.869 -11.221 -0.978 1.00 0.00 C ATOM 233 C PHE A 85 13.883 -9.726 -0.670 1.00 0.00 C ATOM 234 O PHE A 85 13.627 -9.311 0.460 1.00 0.00 O ATOM 235 CB PHE A 85 15.304 -11.728 -1.134 1.00 0.00 C ATOM 236 CG PHE A 85 16.088 -11.419 0.120 1.00 0.00 C ATOM 237 CD1 PHE A 85 15.862 -12.163 1.285 1.00 0.00 C ATOM 238 CD2 PHE A 85 17.042 -10.393 0.119 1.00 0.00 C ATOM 239 CE1 PHE A 85 16.589 -11.882 2.447 1.00 0.00 C ATOM 240 CE2 PHE A 85 17.769 -10.112 1.282 1.00 0.00 C ATOM 241 CZ PHE A 85 17.541 -10.856 2.446 1.00 0.00 C ATOM 0 H PHE A 85 13.656 -11.909 -2.950 1.00 0.00 H new ATOM 0 HA PHE A 85 13.388 -11.746 -0.153 1.00 0.00 H new ATOM 0 HB2 PHE A 85 15.303 -12.802 -1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 85 15.776 -11.256 -1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 85 15.126 -12.954 1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 85 17.217 -9.819 -0.779 1.00 0.00 H new ATOM 0 HE1 PHE A 85 16.416 -12.457 3.345 1.00 0.00 H new ATOM 0 HE2 PHE A 85 18.505 -9.322 1.281 1.00 0.00 H new ATOM 0 HZ PHE A 85 18.100 -10.638 3.344 1.00 0.00 H new ATOM 251 N ALA A 86 14.181 -8.921 -1.685 1.00 0.00 N ATOM 252 CA ALA A 86 14.221 -7.474 -1.511 1.00 0.00 C ATOM 253 C ALA A 86 12.855 -6.953 -1.083 1.00 0.00 C ATOM 254 O ALA A 86 12.750 -6.065 -0.236 1.00 0.00 O ATOM 255 CB ALA A 86 14.637 -6.800 -2.820 1.00 0.00 C ATOM 0 H ALA A 86 14.397 -9.243 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 86 14.950 -7.239 -0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.664 -5.719 -2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.626 -7.153 -3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.918 -7.047 -3.601 1.00 0.00 H new ATOM 261 N LEU A 87 11.810 -7.514 -1.672 1.00 0.00 N ATOM 262 CA LEU A 87 10.454 -7.104 -1.344 1.00 0.00 C ATOM 263 C LEU A 87 10.155 -7.375 0.125 1.00 0.00 C ATOM 264 O LEU A 87 9.522 -6.562 0.800 1.00 0.00 O ATOM 265 CB LEU A 87 9.452 -7.854 -2.225 1.00 0.00 C ATOM 266 CG LEU A 87 8.003 -7.406 -1.891 1.00 0.00 C ATOM 267 CD1 LEU A 87 7.191 -7.232 -3.182 1.00 0.00 C ATOM 268 CD2 LEU A 87 7.309 -8.459 -1.008 1.00 0.00 C ATOM 0 H LEU A 87 11.874 -8.250 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 87 10.362 -6.034 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.666 -7.662 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.553 -8.928 -2.070 1.00 0.00 H new ATOM 0 HG LEU A 87 8.055 -6.457 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.177 -6.918 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.662 -6.475 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.156 -8.179 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.294 -8.132 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.274 -9.411 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.867 -8.580 -0.079 1.00 0.00 H new ATOM 280 N ALA A 88 10.602 -8.526 0.612 1.00 0.00 N ATOM 281 CA ALA A 88 10.368 -8.893 2.003 1.00 0.00 C ATOM 282 C ALA A 88 10.996 -7.863 2.935 1.00 0.00 C ATOM 283 O ALA A 88 10.407 -7.486 3.947 1.00 0.00 O ATOM 284 CB ALA A 88 10.971 -10.273 2.281 1.00 0.00 C ATOM 0 H ALA A 88 11.124 -9.215 0.071 1.00 0.00 H new ATOM 0 HA ALA A 88 9.293 -8.922 2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.794 -10.544 3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.505 -11.012 1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 88 12.044 -10.246 2.090 1.00 0.00 H new ATOM 290 N LEU A 89 12.189 -7.402 2.580 1.00 0.00 N ATOM 291 CA LEU A 89 12.880 -6.408 3.392 1.00 0.00 C ATOM 292 C LEU A 89 12.097 -5.100 3.421 1.00 0.00 C ATOM 293 O LEU A 89 11.990 -4.446 4.461 1.00 0.00 O ATOM 294 CB LEU A 89 14.277 -6.158 2.822 1.00 0.00 C ATOM 295 CG LEU A 89 15.160 -7.395 3.046 1.00 0.00 C ATOM 296 CD1 LEU A 89 16.461 -7.237 2.249 1.00 0.00 C ATOM 297 CD2 LEU A 89 15.490 -7.563 4.545 1.00 0.00 C ATOM 0 H LEU A 89 12.694 -7.697 1.744 1.00 0.00 H new ATOM 0 HA LEU A 89 12.963 -6.788 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.211 -5.935 1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.725 -5.288 3.302 1.00 0.00 H new ATOM 0 HG LEU A 89 14.621 -8.280 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.092 -8.112 2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 89 16.229 -7.141 1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 89 16.989 -6.345 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.116 -8.444 4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.022 -6.681 4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.566 -7.683 5.110 1.00 0.00 H new ATOM 309 N LYS A 90 11.546 -4.725 2.276 1.00 0.00 N ATOM 310 CA LYS A 90 10.782 -3.493 2.189 1.00 0.00 C ATOM 311 C LYS A 90 9.570 -3.562 3.108 1.00 0.00 C ATOM 312 O LYS A 90 9.245 -2.598 3.790 1.00 0.00 O ATOM 313 CB LYS A 90 10.327 -3.271 0.746 1.00 0.00 C ATOM 314 CG LYS A 90 9.670 -1.892 0.617 1.00 0.00 C ATOM 315 CD LYS A 90 9.091 -1.713 -0.792 1.00 0.00 C ATOM 316 CE LYS A 90 10.216 -1.463 -1.802 1.00 0.00 C ATOM 317 NZ LYS A 90 9.623 -1.093 -3.118 1.00 0.00 N ATOM 0 H LYS A 90 11.613 -5.250 1.404 1.00 0.00 H new ATOM 0 HA LYS A 90 11.413 -2.661 2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.180 -3.343 0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.622 -4.049 0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.879 -1.787 1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.403 -1.111 0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.528 -2.602 -1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.392 -0.877 -0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.868 -0.665 -1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.832 -2.356 -1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.384 -0.923 -3.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.018 -1.868 -3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.053 -0.230 -3.011 1.00 0.00 H new ATOM 331 N MET A 91 8.911 -4.711 3.128 1.00 0.00 N ATOM 332 CA MET A 91 7.744 -4.896 3.983 1.00 0.00 C ATOM 333 C MET A 91 8.156 -4.880 5.456 1.00 0.00 C ATOM 334 O MET A 91 7.431 -4.379 6.321 1.00 0.00 O ATOM 335 CB MET A 91 7.056 -6.219 3.646 1.00 0.00 C ATOM 336 CG MET A 91 6.437 -6.135 2.247 1.00 0.00 C ATOM 337 SD MET A 91 5.056 -4.963 2.256 1.00 0.00 S ATOM 338 CE MET A 91 4.642 -5.084 0.497 1.00 0.00 C ATOM 0 H MET A 91 9.161 -5.525 2.567 1.00 0.00 H new ATOM 0 HA MET A 91 7.047 -4.077 3.807 1.00 0.00 H new ATOM 0 HB2 MET A 91 7.776 -7.036 3.687 1.00 0.00 H new ATOM 0 HB3 MET A 91 6.284 -6.437 4.384 1.00 0.00 H new ATOM 0 HG2 MET A 91 7.190 -5.819 1.525 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.089 -7.119 1.934 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.799 -4.429 0.276 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.502 -4.783 -0.101 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.375 -6.113 0.256 1.00 0.00 H new ATOM 348 N SER A 92 9.325 -5.446 5.734 1.00 0.00 N ATOM 349 CA SER A 92 9.821 -5.505 7.102 1.00 0.00 C ATOM 350 C SER A 92 10.031 -4.099 7.654 1.00 0.00 C ATOM 351 O SER A 92 9.944 -3.881 8.863 1.00 0.00 O ATOM 352 CB SER A 92 11.141 -6.276 7.147 1.00 0.00 C ATOM 353 OG SER A 92 12.171 -5.477 6.582 1.00 0.00 O ATOM 0 H SER A 92 9.941 -5.866 5.038 1.00 0.00 H new ATOM 0 HA SER A 92 9.081 -6.019 7.716 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.389 -6.535 8.176 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.048 -7.212 6.596 1.00 0.00 H new ATOM 0 HG SER A 92 11.810 -4.962 5.830 1.00 0.00 H new ATOM 359 N GLU A 93 10.309 -3.145 6.767 1.00 0.00 N ATOM 360 CA GLU A 93 10.525 -1.765 7.198 1.00 0.00 C ATOM 361 C GLU A 93 9.261 -1.194 7.840 1.00 0.00 C ATOM 362 O GLU A 93 9.325 -0.507 8.858 1.00 0.00 O ATOM 363 CB GLU A 93 10.911 -0.901 5.995 1.00 0.00 C ATOM 364 CG GLU A 93 12.313 -1.280 5.517 1.00 0.00 C ATOM 365 CD GLU A 93 13.345 -0.828 6.542 1.00 0.00 C ATOM 366 OE1 GLU A 93 13.118 0.191 7.172 1.00 0.00 O ATOM 367 OE2 GLU A 93 14.346 -1.510 6.687 1.00 0.00 O ATOM 0 H GLU A 93 10.389 -3.298 5.762 1.00 0.00 H new ATOM 0 HA GLU A 93 11.329 -1.758 7.934 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.191 -1.041 5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.882 0.154 6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.379 -2.358 5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.517 -0.815 4.552 1.00 0.00 H new ATOM 374 N GLN A 94 8.110 -1.512 7.257 1.00 0.00 N ATOM 375 CA GLN A 94 6.838 -1.045 7.797 1.00 0.00 C ATOM 376 C GLN A 94 6.528 -1.751 9.110 1.00 0.00 C ATOM 377 O GLN A 94 5.880 -1.189 9.994 1.00 0.00 O ATOM 378 CB GLN A 94 5.708 -1.281 6.790 1.00 0.00 C ATOM 379 CG GLN A 94 5.838 -0.290 5.625 1.00 0.00 C ATOM 380 CD GLN A 94 7.025 -0.667 4.751 1.00 0.00 C ATOM 381 OE1 GLN A 94 7.957 0.213 4.510 1.00 0.00 O flip ATOM 382 NE2 GLN A 94 7.110 -1.800 4.284 1.00 0.00 N flip ATOM 0 H GLN A 94 8.031 -2.086 6.418 1.00 0.00 H new ATOM 0 HA GLN A 94 6.917 0.026 7.986 1.00 0.00 H new ATOM 0 HB2 GLN A 94 5.749 -2.304 6.416 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.741 -1.158 7.278 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.924 -0.292 5.031 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.966 0.722 6.010 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.380 -2.486 4.474 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.911 -2.055 3.706 1.00 0.00 H new ATOM 391 N GLU A 95 6.986 -2.991 9.224 1.00 0.00 N ATOM 392 CA GLU A 95 6.744 -3.771 10.431 1.00 0.00 C ATOM 393 C GLU A 95 7.611 -3.267 11.584 1.00 0.00 C ATOM 394 O GLU A 95 7.396 -3.640 12.738 1.00 0.00 O ATOM 395 CB GLU A 95 7.048 -5.246 10.175 1.00 0.00 C ATOM 396 CG GLU A 95 6.039 -5.804 9.172 1.00 0.00 C ATOM 397 CD GLU A 95 6.346 -7.269 8.884 1.00 0.00 C ATOM 398 OE1 GLU A 95 7.358 -7.748 9.370 1.00 0.00 O ATOM 399 OE2 GLU A 95 5.567 -7.891 8.181 1.00 0.00 O ATOM 0 H GLU A 95 7.522 -3.475 8.503 1.00 0.00 H new ATOM 0 HA GLU A 95 5.694 -3.658 10.703 1.00 0.00 H new ATOM 0 HB2 GLU A 95 8.061 -5.359 9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.998 -5.807 11.108 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.028 -5.707 9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.076 -5.228 8.248 1.00 0.00 H new ATOM 406 N ALA A 96 8.591 -2.421 11.267 1.00 0.00 N ATOM 407 CA ALA A 96 9.481 -1.879 12.289 1.00 0.00 C ATOM 408 C ALA A 96 10.418 -2.961 12.815 1.00 0.00 C ATOM 409 O ALA A 96 10.742 -2.992 14.002 1.00 0.00 O ATOM 410 CB ALA A 96 8.658 -1.294 13.444 1.00 0.00 C ATOM 0 H ALA A 96 8.786 -2.099 10.319 1.00 0.00 H new ATOM 0 HA ALA A 96 10.082 -1.088 11.840 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.330 -0.892 14.202 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.017 -0.497 13.067 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.041 -2.077 13.885 1.00 0.00 H new ATOM 416 N ARG A 97 10.839 -3.854 11.926 1.00 0.00 N ATOM 417 CA ARG A 97 11.729 -4.944 12.317 1.00 0.00 C ATOM 418 C ARG A 97 13.186 -4.484 12.351 1.00 0.00 C ATOM 419 O ARG A 97 13.673 -4.009 13.378 1.00 0.00 O ATOM 420 CB ARG A 97 11.578 -6.114 11.336 1.00 0.00 C ATOM 421 CG ARG A 97 12.419 -7.301 11.816 1.00 0.00 C ATOM 422 CD ARG A 97 12.303 -8.447 10.815 1.00 0.00 C ATOM 423 NE ARG A 97 12.908 -8.064 9.543 1.00 0.00 N ATOM 424 CZ ARG A 97 12.773 -8.825 8.463 1.00 0.00 C ATOM 425 NH1 ARG A 97 12.089 -9.935 8.530 1.00 0.00 N ATOM 426 NH2 ARG A 97 13.322 -8.462 7.337 1.00 0.00 N ATOM 0 H ARG A 97 10.582 -3.847 10.939 1.00 0.00 H new ATOM 0 HA ARG A 97 11.451 -5.267 13.320 1.00 0.00 H new ATOM 0 HB2 ARG A 97 10.530 -6.405 11.260 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.897 -5.809 10.339 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.462 -7.002 11.923 1.00 0.00 H new ATOM 0 HG3 ARG A 97 12.079 -7.627 12.799 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.797 -9.336 11.209 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.255 -8.705 10.665 1.00 0.00 H new ATOM 0 HE ARG A 97 13.443 -7.198 9.483 1.00 0.00 H new ATOM 0 HH11 ARG A 97 11.659 -10.217 9.411 1.00 0.00 H new ATOM 0 HH12 ARG A 97 11.984 -10.520 7.701 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.855 -7.594 7.286 1.00 0.00 H new ATOM 0 HH22 ARG A 97 13.218 -9.046 6.507 1.00 0.00 H new ATOM 440 N GLU A 98 13.880 -4.634 11.226 1.00 0.00 N ATOM 441 CA GLU A 98 15.282 -4.246 11.133 1.00 0.00 C ATOM 442 C GLU A 98 15.439 -2.734 11.252 1.00 0.00 C ATOM 443 O GLU A 98 16.551 -2.209 11.212 1.00 0.00 O ATOM 444 CB GLU A 98 15.866 -4.731 9.805 1.00 0.00 C ATOM 445 CG GLU A 98 15.134 -4.055 8.644 1.00 0.00 C ATOM 446 CD GLU A 98 15.618 -4.634 7.319 1.00 0.00 C ATOM 447 OE1 GLU A 98 16.449 -5.525 7.352 1.00 0.00 O ATOM 448 OE2 GLU A 98 15.147 -4.178 6.289 1.00 0.00 O ATOM 0 H GLU A 98 13.493 -5.022 10.366 1.00 0.00 H new ATOM 0 HA GLU A 98 15.824 -4.710 11.958 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.931 -4.502 9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 98 15.769 -5.814 9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.059 -4.203 8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.311 -2.980 8.668 1.00 0.00 H new ATOM 455 N VAL A 99 14.317 -2.042 11.390 1.00 0.00 N ATOM 456 CA VAL A 99 14.330 -0.589 11.508 1.00 0.00 C ATOM 457 C VAL A 99 15.030 -0.165 12.785 1.00 0.00 C ATOM 458 O VAL A 99 15.080 -0.916 13.762 1.00 0.00 O ATOM 459 CB VAL A 99 12.911 -0.048 11.541 1.00 0.00 C ATOM 460 CG1 VAL A 99 12.938 1.484 11.504 1.00 0.00 C ATOM 461 CG2 VAL A 99 12.133 -0.579 10.331 1.00 0.00 C ATOM 0 H VAL A 99 13.388 -2.461 11.423 1.00 0.00 H new ATOM 0 HA VAL A 99 14.862 -0.190 10.644 1.00 0.00 H new ATOM 0 HB VAL A 99 12.422 -0.375 12.459 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.918 1.867 11.528 1.00 0.00 H new ATOM 0 HG12 VAL A 99 13.487 1.859 12.368 1.00 0.00 H new ATOM 0 HG13 VAL A 99 13.429 1.817 10.590 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.115 -0.191 10.354 1.00 0.00 H new ATOM 0 HG22 VAL A 99 12.623 -0.256 9.413 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.107 -1.668 10.365 1.00 0.00 H new ATOM 471 N ASN A 100 15.575 1.038 12.771 1.00 0.00 N ATOM 472 CA ASN A 100 16.273 1.548 13.935 1.00 0.00 C ATOM 473 C ASN A 100 15.284 1.848 15.060 1.00 0.00 C ATOM 474 O ASN A 100 14.300 2.563 14.872 1.00 0.00 O ATOM 475 CB ASN A 100 17.032 2.828 13.571 1.00 0.00 C ATOM 476 CG ASN A 100 18.047 2.548 12.470 1.00 0.00 C ATOM 477 OD1 ASN A 100 17.970 3.130 11.388 1.00 0.00 O ATOM 478 ND2 ASN A 100 19.006 1.687 12.682 1.00 0.00 N ATOM 0 H ASN A 100 15.548 1.674 11.974 1.00 0.00 H new ATOM 0 HA ASN A 100 16.979 0.790 14.274 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.330 3.594 13.241 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.540 3.220 14.452 1.00 0.00 H new ATOM 0 HD21 ASN A 100 19.691 1.497 11.951 1.00 0.00 H new ATOM 0 HD22 ASN A 100 19.070 1.205 13.579 1.00 0.00 H new ATOM 485 N SER A 101 15.577 1.303 16.229 1.00 0.00 N ATOM 486 CA SER A 101 14.742 1.502 17.413 1.00 0.00 C ATOM 487 C SER A 101 14.636 2.987 17.735 1.00 0.00 C ATOM 488 O SER A 101 13.768 3.410 18.499 1.00 0.00 O ATOM 489 CB SER A 101 15.323 0.756 18.618 1.00 0.00 C ATOM 490 OG SER A 101 16.610 1.277 18.924 1.00 0.00 O ATOM 0 H SER A 101 16.394 0.713 16.389 1.00 0.00 H new ATOM 0 HA SER A 101 13.749 1.105 17.201 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.662 0.863 19.478 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.393 -0.310 18.400 1.00 0.00 H new ATOM 0 HG SER A 101 16.981 0.801 19.696 1.00 0.00 H new ATOM 496 N GLN A 102 15.532 3.775 17.153 1.00 0.00 N ATOM 497 CA GLN A 102 15.538 5.214 17.384 1.00 0.00 C ATOM 498 C GLN A 102 14.201 5.818 16.963 1.00 0.00 C ATOM 499 O GLN A 102 13.763 6.821 17.525 1.00 0.00 O ATOM 500 CB GLN A 102 16.666 5.871 16.584 1.00 0.00 C ATOM 501 CG GLN A 102 16.738 7.362 16.926 1.00 0.00 C ATOM 502 CD GLN A 102 17.914 8.008 16.203 1.00 0.00 C ATOM 503 OE1 GLN A 102 18.720 7.315 15.584 1.00 0.00 O ATOM 504 NE2 GLN A 102 18.061 9.305 16.242 1.00 0.00 N ATOM 0 H GLN A 102 16.261 3.444 16.521 1.00 0.00 H new ATOM 0 HA GLN A 102 15.697 5.395 18.447 1.00 0.00 H new ATOM 0 HB2 GLN A 102 17.616 5.389 16.813 1.00 0.00 H new ATOM 0 HB3 GLN A 102 16.492 5.741 15.516 1.00 0.00 H new ATOM 0 HG2 GLN A 102 15.809 7.854 16.638 1.00 0.00 H new ATOM 0 HG3 GLN A 102 16.847 7.491 18.003 1.00 0.00 H new ATOM 0 HE21 GLN A 102 17.392 9.879 16.756 1.00 0.00 H new ATOM 0 HE22 GLN A 102 18.845 9.744 15.759 1.00 0.00 H new ATOM 513 N GLU A 103 13.551 5.208 15.978 1.00 0.00 N ATOM 514 CA GLU A 103 12.265 5.717 15.512 1.00 0.00 C ATOM 515 C GLU A 103 11.242 5.697 16.648 1.00 0.00 C ATOM 516 O GLU A 103 10.498 6.662 16.846 1.00 0.00 O ATOM 517 CB GLU A 103 11.761 4.842 14.357 1.00 0.00 C ATOM 518 CG GLU A 103 10.425 5.379 13.837 1.00 0.00 C ATOM 519 CD GLU A 103 9.964 4.561 12.634 1.00 0.00 C ATOM 520 OE1 GLU A 103 10.651 3.613 12.287 1.00 0.00 O ATOM 521 OE2 GLU A 103 8.933 4.898 12.075 1.00 0.00 O ATOM 0 H GLU A 103 13.885 4.375 15.493 1.00 0.00 H new ATOM 0 HA GLU A 103 12.393 6.744 15.171 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.496 4.830 13.552 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.642 3.813 14.695 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.674 5.335 14.626 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.530 6.427 13.556 1.00 0.00 H new ATOM 528 N GLU A 104 11.227 4.606 17.408 1.00 0.00 N ATOM 529 CA GLU A 104 10.307 4.491 18.533 1.00 0.00 C ATOM 530 C GLU A 104 10.660 5.504 19.616 1.00 0.00 C ATOM 531 O GLU A 104 9.783 6.122 20.222 1.00 0.00 O ATOM 532 CB GLU A 104 10.360 3.073 19.109 1.00 0.00 C ATOM 533 CG GLU A 104 9.724 2.097 18.117 1.00 0.00 C ATOM 534 CD GLU A 104 9.940 0.662 18.588 1.00 0.00 C ATOM 535 OE1 GLU A 104 10.738 0.468 19.488 1.00 0.00 O ATOM 536 OE2 GLU A 104 9.303 -0.222 18.039 1.00 0.00 O ATOM 0 H GLU A 104 11.834 3.798 17.268 1.00 0.00 H new ATOM 0 HA GLU A 104 9.297 4.696 18.179 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.393 2.787 19.306 1.00 0.00 H new ATOM 0 HB3 GLU A 104 9.832 3.036 20.062 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.657 2.302 18.025 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.161 2.234 17.128 1.00 0.00 H new ATOM 543 N GLU A 105 11.957 5.671 19.846 1.00 0.00 N ATOM 544 CA GLU A 105 12.434 6.617 20.847 1.00 0.00 C ATOM 545 C GLU A 105 12.111 8.044 20.422 1.00 0.00 C ATOM 546 O GLU A 105 11.802 8.895 21.256 1.00 0.00 O ATOM 547 CB GLU A 105 13.942 6.462 21.048 1.00 0.00 C ATOM 548 CG GLU A 105 14.229 5.124 21.733 1.00 0.00 C ATOM 549 CD GLU A 105 15.731 4.876 21.787 1.00 0.00 C ATOM 550 OE1 GLU A 105 16.457 5.613 21.140 1.00 0.00 O ATOM 551 OE2 GLU A 105 16.137 3.950 22.472 1.00 0.00 O ATOM 0 H GLU A 105 12.695 5.166 19.355 1.00 0.00 H new ATOM 0 HA GLU A 105 11.929 6.407 21.790 1.00 0.00 H new ATOM 0 HB2 GLU A 105 14.455 6.508 20.087 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.325 7.283 21.654 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.816 5.127 22.742 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.738 4.316 21.190 1.00 0.00 H new ATOM 558 N GLU A 106 12.201 8.305 19.122 1.00 0.00 N ATOM 559 CA GLU A 106 11.930 9.637 18.604 1.00 0.00 C ATOM 560 C GLU A 106 10.502 10.049 18.933 1.00 0.00 C ATOM 561 O GLU A 106 10.258 11.170 19.377 1.00 0.00 O ATOM 562 CB GLU A 106 12.127 9.653 17.084 1.00 0.00 C ATOM 563 CG GLU A 106 11.904 11.069 16.546 1.00 0.00 C ATOM 564 CD GLU A 106 12.170 11.105 15.043 1.00 0.00 C ATOM 565 OE1 GLU A 106 12.467 10.060 14.489 1.00 0.00 O ATOM 566 OE2 GLU A 106 12.077 12.178 14.471 1.00 0.00 O ATOM 0 H GLU A 106 12.458 7.617 18.414 1.00 0.00 H new ATOM 0 HA GLU A 106 12.621 10.340 19.069 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.133 9.314 16.835 1.00 0.00 H new ATOM 0 HB3 GLU A 106 11.431 8.961 16.611 1.00 0.00 H new ATOM 0 HG2 GLU A 106 10.882 11.388 16.750 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.564 11.769 17.057 1.00 0.00 H new ATOM 573 N GLU A 107 9.561 9.136 18.726 1.00 0.00 N ATOM 574 CA GLU A 107 8.164 9.432 19.022 1.00 0.00 C ATOM 575 C GLU A 107 7.978 9.690 20.516 1.00 0.00 C ATOM 576 O GLU A 107 7.234 10.586 20.916 1.00 0.00 O ATOM 577 CB GLU A 107 7.277 8.266 18.582 1.00 0.00 C ATOM 578 CG GLU A 107 5.799 8.651 18.722 1.00 0.00 C ATOM 579 CD GLU A 107 5.459 9.788 17.764 1.00 0.00 C ATOM 580 OE1 GLU A 107 5.082 9.498 16.640 1.00 0.00 O ATOM 581 OE2 GLU A 107 5.583 10.933 18.167 1.00 0.00 O ATOM 0 H GLU A 107 9.734 8.200 18.361 1.00 0.00 H new ATOM 0 HA GLU A 107 7.875 10.328 18.473 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.496 8.001 17.548 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.491 7.386 19.188 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.169 7.787 18.511 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.590 8.955 19.748 1.00 0.00 H new ATOM 588 N GLU A 108 8.659 8.895 21.335 1.00 0.00 N ATOM 589 CA GLU A 108 8.561 9.039 22.784 1.00 0.00 C ATOM 590 C GLU A 108 9.099 10.398 23.224 1.00 0.00 C ATOM 591 O GLU A 108 8.529 11.048 24.100 1.00 0.00 O ATOM 592 CB GLU A 108 9.349 7.923 23.476 1.00 0.00 C ATOM 593 CG GLU A 108 9.178 8.035 24.994 1.00 0.00 C ATOM 594 CD GLU A 108 9.912 6.893 25.687 1.00 0.00 C ATOM 595 OE1 GLU A 108 10.525 6.100 24.993 1.00 0.00 O ATOM 596 OE2 GLU A 108 9.845 6.826 26.904 1.00 0.00 O ATOM 0 H GLU A 108 9.281 8.149 21.023 1.00 0.00 H new ATOM 0 HA GLU A 108 7.511 8.968 23.068 1.00 0.00 H new ATOM 0 HB2 GLU A 108 8.999 6.950 23.132 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.404 7.993 23.213 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.566 8.992 25.342 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.119 8.007 25.252 1.00 0.00 H new ATOM 603 N LEU A 109 10.201 10.818 22.613 1.00 0.00 N ATOM 604 CA LEU A 109 10.807 12.101 22.955 1.00 0.00 C ATOM 605 C LEU A 109 9.855 13.248 22.651 1.00 0.00 C ATOM 606 O LEU A 109 9.752 14.201 23.424 1.00 0.00 O ATOM 607 CB LEU A 109 12.108 12.284 22.169 1.00 0.00 C ATOM 608 CG LEU A 109 13.192 11.344 22.723 1.00 0.00 C ATOM 609 CD1 LEU A 109 14.374 11.303 21.747 1.00 0.00 C ATOM 610 CD2 LEU A 109 13.686 11.842 24.099 1.00 0.00 C ATOM 0 H LEU A 109 10.689 10.296 21.886 1.00 0.00 H new ATOM 0 HA LEU A 109 11.023 12.107 24.023 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.938 12.074 21.113 1.00 0.00 H new ATOM 0 HB3 LEU A 109 12.442 13.319 22.238 1.00 0.00 H new ATOM 0 HG LEU A 109 12.768 10.347 22.839 1.00 0.00 H new ATOM 0 HD11 LEU A 109 15.145 10.638 22.136 1.00 0.00 H new ATOM 0 HD12 LEU A 109 14.034 10.936 20.779 1.00 0.00 H new ATOM 0 HD13 LEU A 109 14.785 12.306 21.631 1.00 0.00 H new ATOM 0 HD21 LEU A 109 14.453 11.166 24.477 1.00 0.00 H new ATOM 0 HD22 LEU A 109 14.105 12.843 23.995 1.00 0.00 H new ATOM 0 HD23 LEU A 109 12.850 11.869 24.798 1.00 0.00 H new ATOM 622 N LEU A 110 9.154 13.153 21.532 1.00 0.00 N ATOM 623 CA LEU A 110 8.213 14.197 21.159 1.00 0.00 C ATOM 624 C LEU A 110 7.099 14.303 22.199 1.00 0.00 C ATOM 625 O LEU A 110 6.720 15.398 22.606 1.00 0.00 O ATOM 626 CB LEU A 110 7.618 13.889 19.767 1.00 0.00 C ATOM 627 CG LEU A 110 8.400 14.619 18.666 1.00 0.00 C ATOM 628 CD1 LEU A 110 9.798 14.012 18.536 1.00 0.00 C ATOM 629 CD2 LEU A 110 7.653 14.471 17.339 1.00 0.00 C ATOM 0 H LEU A 110 9.217 12.376 20.875 1.00 0.00 H new ATOM 0 HA LEU A 110 8.739 15.151 21.118 1.00 0.00 H new ATOM 0 HB2 LEU A 110 7.643 12.814 19.586 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.572 14.193 19.739 1.00 0.00 H new ATOM 0 HG LEU A 110 8.491 15.675 18.922 1.00 0.00 H new ATOM 0 HD11 LEU A 110 10.350 14.533 17.753 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.328 14.114 19.483 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.714 12.956 18.279 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.203 14.987 16.552 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.565 13.414 17.087 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.658 14.906 17.431 1.00 0.00 H new ATOM 641 N ARG A 111 6.581 13.161 22.624 1.00 0.00 N ATOM 642 CA ARG A 111 5.514 13.149 23.612 1.00 0.00 C ATOM 643 C ARG A 111 5.981 13.805 24.907 1.00 0.00 C ATOM 644 O ARG A 111 5.249 14.577 25.527 1.00 0.00 O ATOM 645 CB ARG A 111 5.074 11.712 23.886 1.00 0.00 C ATOM 646 CG ARG A 111 3.904 11.716 24.871 1.00 0.00 C ATOM 647 CD ARG A 111 3.335 10.302 24.983 1.00 0.00 C ATOM 648 NE ARG A 111 4.339 9.395 25.525 1.00 0.00 N ATOM 649 CZ ARG A 111 4.217 8.078 25.394 1.00 0.00 C ATOM 650 NH1 ARG A 111 3.192 7.578 24.759 1.00 0.00 N ATOM 651 NH2 ARG A 111 5.124 7.286 25.898 1.00 0.00 N ATOM 0 H ARG A 111 6.878 12.239 22.304 1.00 0.00 H new ATOM 0 HA ARG A 111 4.668 13.714 23.219 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.778 11.227 22.956 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.905 11.137 24.295 1.00 0.00 H new ATOM 0 HG2 ARG A 111 4.237 12.065 25.848 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.131 12.406 24.533 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.454 10.307 25.625 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.012 9.954 24.002 1.00 0.00 H new ATOM 0 HE ARG A 111 5.149 9.777 26.013 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.485 8.198 24.364 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.098 6.567 24.658 1.00 0.00 H new ATOM 0 HH21 ARG A 111 5.926 7.678 26.392 1.00 0.00 H new ATOM 0 HH22 ARG A 111 5.031 6.275 25.798 1.00 0.00 H new ATOM 665 N LYS A 112 7.208 13.493 25.304 1.00 0.00 N ATOM 666 CA LYS A 112 7.774 14.055 26.523 1.00 0.00 C ATOM 667 C LYS A 112 7.874 15.573 26.408 1.00 0.00 C ATOM 668 O LYS A 112 7.640 16.295 27.377 1.00 0.00 O ATOM 669 CB LYS A 112 9.161 13.462 26.786 1.00 0.00 C ATOM 670 CG LYS A 112 9.713 14.010 28.106 1.00 0.00 C ATOM 671 CD LYS A 112 11.073 13.373 28.396 1.00 0.00 C ATOM 672 CE LYS A 112 11.653 13.977 29.676 1.00 0.00 C ATOM 673 NZ LYS A 112 10.749 13.676 30.822 1.00 0.00 N ATOM 0 H LYS A 112 7.828 12.857 24.802 1.00 0.00 H new ATOM 0 HA LYS A 112 7.118 13.805 27.357 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.100 12.375 26.829 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.835 13.711 25.967 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.812 15.094 28.048 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.019 13.796 28.919 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.966 12.294 28.506 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.752 13.542 27.560 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.646 13.569 29.866 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.767 15.055 29.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.275 13.773 31.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.949 14.341 30.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.391 12.703 30.736 1.00 0.00 H new ATOM 687 N ALA A 113 8.238 16.051 25.223 1.00 0.00 N ATOM 688 CA ALA A 113 8.381 17.485 25.002 1.00 0.00 C ATOM 689 C ALA A 113 7.053 18.194 25.252 1.00 0.00 C ATOM 690 O ALA A 113 7.020 19.282 25.828 1.00 0.00 O ATOM 691 CB ALA A 113 8.834 17.746 23.563 1.00 0.00 C ATOM 0 H ALA A 113 8.438 15.472 24.407 1.00 0.00 H new ATOM 0 HA ALA A 113 9.128 17.872 25.695 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.939 18.819 23.404 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.793 17.258 23.389 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.093 17.347 22.870 1.00 0.00 H new ATOM 697 N ILE A 114 5.961 17.570 24.825 1.00 0.00 N ATOM 698 CA ILE A 114 4.640 18.157 25.016 1.00 0.00 C ATOM 699 C ILE A 114 4.320 18.265 26.504 1.00 0.00 C ATOM 700 O ILE A 114 3.813 19.287 26.969 1.00 0.00 O ATOM 701 CB ILE A 114 3.579 17.296 24.324 1.00 0.00 C ATOM 702 CG1 ILE A 114 3.877 17.217 22.818 1.00 0.00 C ATOM 703 CG2 ILE A 114 2.190 17.900 24.544 1.00 0.00 C ATOM 704 CD1 ILE A 114 3.922 18.616 22.181 1.00 0.00 C ATOM 0 H ILE A 114 5.963 16.668 24.349 1.00 0.00 H new ATOM 0 HA ILE A 114 4.636 19.155 24.578 1.00 0.00 H new ATOM 0 HB ILE A 114 3.602 16.293 24.750 1.00 0.00 H new ATOM 0 HG12 ILE A 114 4.830 16.713 22.660 1.00 0.00 H new ATOM 0 HG13 ILE A 114 3.113 16.616 22.325 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.442 17.281 24.049 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.977 17.942 25.612 1.00 0.00 H new ATOM 0 HG23 ILE A 114 2.161 18.907 24.128 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.135 18.524 21.116 1.00 0.00 H new ATOM 0 HD12 ILE A 114 2.960 19.109 22.318 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.704 19.208 22.657 1.00 0.00 H new ATOM 716 N ALA A 115 4.622 17.208 27.249 1.00 0.00 N ATOM 717 CA ALA A 115 4.363 17.207 28.683 1.00 0.00 C ATOM 718 C ALA A 115 5.161 18.308 29.374 1.00 0.00 C ATOM 719 O ALA A 115 4.654 18.998 30.258 1.00 0.00 O ATOM 720 CB ALA A 115 4.741 15.852 29.277 1.00 0.00 C ATOM 0 H ALA A 115 5.041 16.351 26.889 1.00 0.00 H new ATOM 0 HA ALA A 115 3.301 17.392 28.842 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.545 15.857 30.349 1.00 0.00 H new ATOM 0 HB2 ALA A 115 4.148 15.069 28.804 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.800 15.661 29.103 1.00 0.00 H new ATOM 726 N GLU A 116 6.414 18.468 28.962 1.00 0.00 N ATOM 727 CA GLU A 116 7.273 19.491 29.547 1.00 0.00 C ATOM 728 C GLU A 116 6.728 20.883 29.250 1.00 0.00 C ATOM 729 O GLU A 116 6.746 21.765 30.108 1.00 0.00 O ATOM 730 CB GLU A 116 8.695 19.363 28.991 1.00 0.00 C ATOM 731 CG GLU A 116 9.617 20.378 29.684 1.00 0.00 C ATOM 732 CD GLU A 116 9.450 21.764 29.064 1.00 0.00 C ATOM 733 OE1 GLU A 116 9.165 21.834 27.880 1.00 0.00 O ATOM 734 OE2 GLU A 116 9.601 22.735 29.785 1.00 0.00 O ATOM 0 H GLU A 116 6.854 17.908 28.232 1.00 0.00 H new ATOM 0 HA GLU A 116 7.294 19.346 30.627 1.00 0.00 H new ATOM 0 HB2 GLU A 116 9.068 18.351 29.150 1.00 0.00 H new ATOM 0 HB3 GLU A 116 8.692 19.536 27.915 1.00 0.00 H new ATOM 0 HG2 GLU A 116 9.387 20.419 30.749 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.654 20.056 29.595 1.00 0.00 H new ATOM 741 N SER A 117 6.252 21.078 28.027 1.00 0.00 N ATOM 742 CA SER A 117 5.715 22.373 27.630 1.00 0.00 C ATOM 743 C SER A 117 4.517 22.739 28.497 1.00 0.00 C ATOM 744 O SER A 117 4.352 23.893 28.891 1.00 0.00 O ATOM 745 CB SER A 117 5.293 22.331 26.162 1.00 0.00 C ATOM 746 OG SER A 117 6.441 22.126 25.349 1.00 0.00 O ATOM 0 H SER A 117 6.227 20.364 27.299 1.00 0.00 H new ATOM 0 HA SER A 117 6.490 23.128 27.763 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.572 21.530 26.002 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.800 23.263 25.887 1.00 0.00 H new ATOM 0 HG SER A 117 6.736 21.195 25.428 1.00 0.00 H new ATOM 752 N LEU A 118 3.683 21.748 28.794 1.00 0.00 N ATOM 753 CA LEU A 118 2.503 21.979 29.617 1.00 0.00 C ATOM 754 C LEU A 118 2.908 22.415 31.021 1.00 0.00 C ATOM 755 O LEU A 118 2.261 23.271 31.628 1.00 0.00 O ATOM 756 CB LEU A 118 1.668 20.699 29.699 1.00 0.00 C ATOM 757 CG LEU A 118 1.040 20.398 28.329 1.00 0.00 C ATOM 758 CD1 LEU A 118 0.400 19.006 28.363 1.00 0.00 C ATOM 759 CD2 LEU A 118 -0.029 21.456 27.978 1.00 0.00 C ATOM 0 H LEU A 118 3.801 20.785 28.480 1.00 0.00 H new ATOM 0 HA LEU A 118 1.911 22.771 29.159 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.295 19.864 30.013 1.00 0.00 H new ATOM 0 HB3 LEU A 118 0.887 20.811 30.451 1.00 0.00 H new ATOM 0 HG LEU A 118 1.819 20.428 27.567 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.047 18.787 27.393 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.163 18.260 28.587 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.371 18.979 29.133 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -0.462 21.226 27.005 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -0.813 21.447 28.736 1.00 0.00 H new ATOM 0 HD23 LEU A 118 0.433 22.443 27.946 1.00 0.00 H new ATOM 771 N ASN A 119 3.983 21.826 31.532 1.00 0.00 N ATOM 772 CA ASN A 119 4.464 22.171 32.864 1.00 0.00 C ATOM 773 C ASN A 119 5.185 23.517 32.845 1.00 0.00 C ATOM 774 O ASN A 119 5.388 24.140 33.887 1.00 0.00 O ATOM 775 CB ASN A 119 5.416 21.088 33.369 1.00 0.00 C ATOM 776 CG ASN A 119 4.652 19.787 33.590 1.00 0.00 C ATOM 777 OD1 ASN A 119 4.986 18.761 32.996 1.00 0.00 O ATOM 778 ND2 ASN A 119 3.640 19.768 34.414 1.00 0.00 N ATOM 0 H ASN A 119 4.533 21.115 31.050 1.00 0.00 H new ATOM 0 HA ASN A 119 3.606 22.243 33.532 1.00 0.00 H new ATOM 0 HB2 ASN A 119 6.218 20.931 32.647 1.00 0.00 H new ATOM 0 HB3 ASN A 119 5.884 21.408 34.300 1.00 0.00 H new ATOM 0 HD21 ASN A 119 3.123 18.902 34.567 1.00 0.00 H new ATOM 0 HD22 ASN A 119 3.366 20.619 34.905 1.00 0.00 H new ATOM 785 N SER A 120 5.567 23.958 31.649 1.00 0.00 N ATOM 786 CA SER A 120 6.267 25.231 31.490 1.00 0.00 C ATOM 787 C SER A 120 5.269 26.379 31.366 1.00 0.00 C ATOM 788 O SER A 120 4.116 26.173 30.986 1.00 0.00 O ATOM 789 CB SER A 120 7.160 25.191 30.249 1.00 0.00 C ATOM 790 OG SER A 120 7.794 26.454 30.088 1.00 0.00 O ATOM 0 H SER A 120 5.404 23.454 30.777 1.00 0.00 H new ATOM 0 HA SER A 120 6.885 25.394 32.373 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.909 24.405 30.350 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.566 24.954 29.366 1.00 0.00 H new ATOM 0 HG SER A 120 8.369 26.433 29.295 1.00 0.00 H new ATOM 796 N CYS A 121 5.719 27.586 31.692 1.00 0.00 N ATOM 797 CA CYS A 121 4.853 28.757 31.617 1.00 0.00 C ATOM 798 C CYS A 121 4.635 29.163 30.165 1.00 0.00 C ATOM 799 O CYS A 121 5.558 29.112 29.351 1.00 0.00 O ATOM 800 CB CYS A 121 5.480 29.921 32.384 1.00 0.00 C ATOM 801 SG CYS A 121 4.385 31.359 32.299 1.00 0.00 S ATOM 0 H CYS A 121 6.670 27.778 32.008 1.00 0.00 H new ATOM 0 HA CYS A 121 3.891 28.506 32.064 1.00 0.00 H new ATOM 0 HB2 CYS A 121 5.646 29.638 33.423 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.454 30.167 31.961 1.00 0.00 H new ATOM 0 HG CYS A 121 4.205 31.694 31.056 1.00 0.00 H new ATOM 807 N ARG A 122 3.409 29.556 29.843 1.00 0.00 N ATOM 808 CA ARG A 122 3.087 29.952 28.481 1.00 0.00 C ATOM 809 C ARG A 122 3.793 31.260 28.108 1.00 0.00 C ATOM 810 O ARG A 122 4.002 32.119 28.966 1.00 0.00 O ATOM 811 CB ARG A 122 1.574 30.132 28.334 1.00 0.00 C ATOM 812 CG ARG A 122 0.891 28.768 28.429 1.00 0.00 C ATOM 813 CD ARG A 122 -0.624 28.950 28.332 1.00 0.00 C ATOM 814 NE ARG A 122 -1.293 27.661 28.460 1.00 0.00 N ATOM 815 CZ ARG A 122 -1.440 26.854 27.413 1.00 0.00 C ATOM 816 NH1 ARG A 122 -0.982 27.210 26.244 1.00 0.00 N ATOM 817 NH2 ARG A 122 -2.042 25.705 27.554 1.00 0.00 N ATOM 0 H ARG A 122 2.630 29.608 30.499 1.00 0.00 H new ATOM 0 HA ARG A 122 3.432 29.166 27.809 1.00 0.00 H new ATOM 0 HB2 ARG A 122 1.198 30.795 29.113 1.00 0.00 H new ATOM 0 HB3 ARG A 122 1.343 30.601 27.378 1.00 0.00 H new ATOM 0 HG2 ARG A 122 1.242 28.117 27.628 1.00 0.00 H new ATOM 0 HG3 ARG A 122 1.151 28.284 29.371 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -0.968 29.626 29.115 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -0.883 29.409 27.378 1.00 0.00 H new ATOM 0 HE ARG A 122 -1.655 27.373 29.369 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -0.511 28.108 26.133 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -1.095 26.590 25.442 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -2.400 25.426 28.467 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -2.155 25.086 26.751 1.00 0.00 H new ATOM 831 N PRO A 123 4.153 31.431 26.854 1.00 0.00 N ATOM 832 CA PRO A 123 4.838 32.671 26.377 1.00 0.00 C ATOM 833 C PRO A 123 3.903 33.882 26.376 1.00 0.00 C ATOM 834 O PRO A 123 2.687 33.740 26.243 1.00 0.00 O ATOM 835 CB PRO A 123 5.289 32.308 24.954 1.00 0.00 C ATOM 836 CG PRO A 123 4.329 31.253 24.504 1.00 0.00 C ATOM 837 CD PRO A 123 3.955 30.464 25.759 1.00 0.00 C ATOM 0 HA PRO A 123 5.665 32.963 27.025 1.00 0.00 H new ATOM 0 HB2 PRO A 123 5.259 33.177 24.296 1.00 0.00 H new ATOM 0 HB3 PRO A 123 6.314 31.938 24.947 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.446 31.698 24.045 1.00 0.00 H new ATOM 0 HG3 PRO A 123 4.784 30.604 23.756 1.00 0.00 H new ATOM 0 HD2 PRO A 123 2.924 30.112 25.718 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.588 29.585 25.882 1.00 0.00 H new ATOM 845 N SER A 124 4.483 35.068 26.524 1.00 0.00 N ATOM 846 CA SER A 124 3.696 36.295 26.534 1.00 0.00 C ATOM 847 C SER A 124 3.039 36.516 25.175 1.00 0.00 C ATOM 848 O SER A 124 3.645 36.269 24.133 1.00 0.00 O ATOM 849 CB SER A 124 4.593 37.486 26.868 1.00 0.00 C ATOM 850 OG SER A 124 5.121 37.325 28.177 1.00 0.00 O ATOM 0 H SER A 124 5.487 35.205 26.638 1.00 0.00 H new ATOM 0 HA SER A 124 2.918 36.203 27.292 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.404 37.560 26.143 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.024 38.413 26.805 1.00 0.00 H new ATOM 0 HG SER A 124 5.698 38.087 28.393 1.00 0.00 H new ATOM 856 N ASP A 125 1.796 36.984 25.198 1.00 0.00 N ATOM 857 CA ASP A 125 1.060 37.239 23.965 1.00 0.00 C ATOM 858 C ASP A 125 1.573 38.505 23.283 1.00 0.00 C ATOM 859 O ASP A 125 1.782 39.528 23.934 1.00 0.00 O ATOM 860 CB ASP A 125 -0.433 37.386 24.264 1.00 0.00 C ATOM 861 CG ASP A 125 -1.217 37.490 22.959 1.00 0.00 C ATOM 862 OD1 ASP A 125 -0.587 37.649 21.925 1.00 0.00 O ATOM 863 OD2 ASP A 125 -2.431 37.408 23.014 1.00 0.00 O ATOM 0 H ASP A 125 1.279 37.194 26.052 1.00 0.00 H new ATOM 0 HA ASP A 125 1.213 36.393 23.295 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -0.783 36.530 24.841 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -0.605 38.273 24.873 1.00 0.00 H new ATOM 868 N ALA A 126 1.775 38.426 21.973 1.00 0.00 N ATOM 869 CA ALA A 126 2.265 39.573 21.218 1.00 0.00 C ATOM 870 C ALA A 126 1.285 40.738 21.322 1.00 0.00 C ATOM 871 O ALA A 126 1.691 41.901 21.379 1.00 0.00 O ATOM 872 CB ALA A 126 2.449 39.192 19.747 1.00 0.00 C ATOM 0 H ALA A 126 1.609 37.588 21.416 1.00 0.00 H new ATOM 0 HA ALA A 126 3.224 39.877 21.637 1.00 0.00 H new ATOM 0 HB1 ALA A 126 2.815 40.055 19.191 1.00 0.00 H new ATOM 0 HB2 ALA A 126 3.169 38.378 19.669 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.493 38.872 19.332 1.00 0.00 H new ATOM 878 N SER A 127 -0.007 40.421 21.347 1.00 0.00 N ATOM 879 CA SER A 127 -1.038 41.450 21.445 1.00 0.00 C ATOM 880 C SER A 127 -1.296 41.817 22.904 1.00 0.00 C ATOM 881 O SER A 127 -2.003 42.779 23.194 1.00 0.00 O ATOM 882 CB SER A 127 -2.336 40.953 20.811 1.00 0.00 C ATOM 883 OG SER A 127 -2.125 40.729 19.424 1.00 0.00 O ATOM 0 H SER A 127 -0.363 39.466 21.301 1.00 0.00 H new ATOM 0 HA SER A 127 -0.688 42.335 20.914 1.00 0.00 H new ATOM 0 HB2 SER A 127 -2.661 40.032 21.295 1.00 0.00 H new ATOM 0 HB3 SER A 127 -3.129 41.686 20.956 1.00 0.00 H new ATOM 0 HG SER A 127 -2.956 40.408 19.014 1.00 0.00 H new ATOM 889 N ALA A 128 -0.716 41.039 23.815 1.00 0.00 N ATOM 890 CA ALA A 128 -0.884 41.285 25.246 1.00 0.00 C ATOM 891 C ALA A 128 -2.244 40.779 25.721 1.00 0.00 C ATOM 892 O ALA A 128 -2.546 40.810 26.915 1.00 0.00 O ATOM 893 CB ALA A 128 -0.749 42.789 25.544 1.00 0.00 C ATOM 0 H ALA A 128 -0.128 40.236 23.590 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.105 40.744 25.783 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.876 42.961 26.613 1.00 0.00 H new ATOM 0 HB2 ALA A 128 0.238 43.134 25.236 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -1.513 43.339 24.995 1.00 0.00 H new ATOM 899 N THR A 129 -3.060 40.317 24.779 1.00 0.00 N ATOM 900 CA THR A 129 -4.389 39.810 25.112 1.00 0.00 C ATOM 901 C THR A 129 -4.311 38.351 25.548 1.00 0.00 C ATOM 902 O THR A 129 -3.387 37.628 25.173 1.00 0.00 O ATOM 903 CB THR A 129 -5.312 39.939 23.899 1.00 0.00 C ATOM 904 OG1 THR A 129 -4.806 39.146 22.834 1.00 0.00 O ATOM 905 CG2 THR A 129 -5.379 41.404 23.463 1.00 0.00 C ATOM 0 H THR A 129 -2.828 40.283 23.786 1.00 0.00 H new ATOM 0 HA THR A 129 -4.790 40.399 25.936 1.00 0.00 H new ATOM 0 HB THR A 129 -6.312 39.595 24.163 1.00 0.00 H new ATOM 0 HG1 THR A 129 -3.959 38.735 23.106 1.00 0.00 H new ATOM 0 HG21 THR A 129 -6.037 41.497 22.599 1.00 0.00 H new ATOM 0 HG22 THR A 129 -5.768 42.010 24.281 1.00 0.00 H new ATOM 0 HG23 THR A 129 -4.380 41.751 23.198 1.00 0.00 H new ATOM 913 N ARG A 130 -5.291 37.923 26.337 1.00 0.00 N ATOM 914 CA ARG A 130 -5.329 36.545 26.815 1.00 0.00 C ATOM 915 C ARG A 130 -5.900 35.623 25.743 1.00 0.00 C ATOM 916 O ARG A 130 -6.822 35.994 25.019 1.00 0.00 O ATOM 917 CB ARG A 130 -6.180 36.450 28.081 1.00 0.00 C ATOM 918 CG ARG A 130 -5.484 37.196 29.220 1.00 0.00 C ATOM 919 CD ARG A 130 -6.286 37.020 30.511 1.00 0.00 C ATOM 920 NE ARG A 130 -5.632 37.725 31.607 1.00 0.00 N ATOM 921 CZ ARG A 130 -5.809 39.029 31.788 1.00 0.00 C ATOM 922 NH1 ARG A 130 -6.574 39.701 30.972 1.00 0.00 N ATOM 923 NH2 ARG A 130 -5.218 39.639 32.778 1.00 0.00 N ATOM 0 H ARG A 130 -6.065 38.505 26.657 1.00 0.00 H new ATOM 0 HA ARG A 130 -4.310 36.232 27.043 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -7.167 36.877 27.902 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -6.330 35.405 28.354 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -4.472 36.815 29.353 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -5.396 38.255 28.975 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -7.298 37.402 30.375 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -6.375 35.961 30.751 1.00 0.00 H new ATOM 0 HE ARG A 130 -5.028 37.208 32.246 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -7.035 39.225 30.197 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -6.711 40.702 31.110 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -4.618 39.115 33.415 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -5.355 40.640 32.915 1.00 0.00 H new ATOM 937 N SER A 131 -5.349 34.417 25.652 1.00 0.00 N ATOM 938 CA SER A 131 -5.813 33.445 24.667 1.00 0.00 C ATOM 939 C SER A 131 -6.039 34.114 23.314 1.00 0.00 C ATOM 940 O SER A 131 -7.156 34.535 23.062 1.00 0.00 O ATOM 941 CB SER A 131 -7.116 32.803 25.144 1.00 0.00 C ATOM 942 OG SER A 131 -7.598 31.918 24.141 1.00 0.00 O ATOM 943 OXT SER A 131 -5.091 34.197 22.552 1.00 0.00 O ATOM 0 H SER A 131 -4.585 34.090 26.244 1.00 0.00 H new ATOM 0 HA SER A 131 -5.047 32.677 24.554 1.00 0.00 H new ATOM 0 HB2 SER A 131 -6.948 32.260 26.074 1.00 0.00 H new ATOM 0 HB3 SER A 131 -7.859 33.573 25.354 1.00 0.00 H new ATOM 0 HG SER A 131 -8.433 31.503 24.444 1.00 0.00 H new TER 949 SER A 131