USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 475 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 127 SER OG : rot -160:sc= -0.851! USER MOD Set 1.2: A 129 THR OG1 : rot -79:sc= 0.755 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -107:sc= -0.455 (180deg=-2.06!) USER MOD Single : A 75 LYS NZ :NH3+ 154:sc= -0.167 (180deg=-0.854) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -164:sc= -1.57 USER MOD Single : A 84 GLN :FLIP amide:sc= -0.486 F(o=-1.5,f=-0.49) 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 74:sc= 0.00368 USER MOD Single : A 94 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.31) USER MOD Single : A 100 ASN : amide:sc= -0.0135 K(o=-0.013,f=-1.7!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -55:sc= 0.744 USER MOD Single : A 119 ASN : amide:sc= -1.97! C(o=-2!,f=-2.8!) USER MOD Single : A 120 SER OG : rot -33:sc= 0.345 USER MOD Single : A 121 CYS SG : rot 35:sc= -0.0442 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 72:sc= 0.496 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 0.794 -2.578 11.828 1.00 0.00 N ATOM 2 CA GLY A -4 -0.195 -1.462 11.829 1.00 0.00 C ATOM 3 C GLY A -4 -1.286 -1.748 10.802 1.00 0.00 C ATOM 4 O GLY A -4 -2.416 -2.083 11.160 1.00 0.00 O ATOM 0 H1 GLY A -4 0.673 -3.149 12.688 1.00 0.00 H new ATOM 0 H2 GLY A -4 0.642 -3.176 10.991 1.00 0.00 H new ATOM 0 H3 GLY A -4 1.758 -2.188 11.804 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -0.634 -1.352 12.821 1.00 0.00 H new ATOM 0 HA3 GLY A -4 0.302 -0.521 11.594 1.00 0.00 H new ATOM 10 N PRO A -3 -0.968 -1.621 9.541 1.00 0.00 N ATOM 11 CA PRO A -3 -1.940 -1.870 8.437 1.00 0.00 C ATOM 12 C PRO A -3 -2.280 -3.351 8.306 1.00 0.00 C ATOM 13 O PRO A -3 -1.458 -4.218 8.604 1.00 0.00 O ATOM 14 CB PRO A -3 -1.212 -1.346 7.188 1.00 0.00 C ATOM 15 CG PRO A -3 0.244 -1.453 7.516 1.00 0.00 C ATOM 16 CD PRO A -3 0.356 -1.227 9.029 1.00 0.00 C ATOM 0 HA PRO A -3 -2.898 -1.378 8.605 1.00 0.00 H new ATOM 0 HB2 PRO A -3 -1.463 -1.938 6.308 1.00 0.00 H new ATOM 0 HB3 PRO A -3 -1.493 -0.316 6.970 1.00 0.00 H new ATOM 0 HG2 PRO A -3 0.635 -2.432 7.238 1.00 0.00 H new ATOM 0 HG3 PRO A -3 0.823 -0.710 6.967 1.00 0.00 H new ATOM 0 HD2 PRO A -3 1.150 -1.832 9.466 1.00 0.00 H new ATOM 0 HD3 PRO A -3 0.582 -0.187 9.263 1.00 0.00 H new ATOM 24 N LEU A -2 -3.499 -3.632 7.852 1.00 0.00 N ATOM 25 CA LEU A -2 -3.950 -5.011 7.669 1.00 0.00 C ATOM 26 C LEU A -2 -4.640 -5.165 6.318 1.00 0.00 C ATOM 27 O LEU A -2 -5.545 -4.402 5.976 1.00 0.00 O ATOM 28 CB LEU A -2 -4.917 -5.409 8.794 1.00 0.00 C ATOM 29 CG LEU A -2 -5.423 -6.848 8.581 1.00 0.00 C ATOM 30 CD1 LEU A -2 -4.242 -7.835 8.562 1.00 0.00 C ATOM 31 CD2 LEU A -2 -6.382 -7.212 9.723 1.00 0.00 C ATOM 0 H LEU A -2 -4.192 -2.925 7.604 1.00 0.00 H new ATOM 0 HA LEU A -2 -3.080 -5.667 7.701 1.00 0.00 H new ATOM 0 HB2 LEU A -2 -4.415 -5.332 9.758 1.00 0.00 H new ATOM 0 HB3 LEU A -2 -5.761 -4.720 8.818 1.00 0.00 H new ATOM 0 HG LEU A -2 -5.941 -6.910 7.624 1.00 0.00 H new ATOM 0 HD11 LEU A -2 -4.616 -8.847 8.411 1.00 0.00 H new ATOM 0 HD12 LEU A -2 -3.563 -7.574 7.750 1.00 0.00 H new ATOM 0 HD13 LEU A -2 -3.709 -7.783 9.512 1.00 0.00 H new ATOM 0 HD21 LEU A -2 -6.746 -8.230 9.582 1.00 0.00 H new ATOM 0 HD22 LEU A -2 -5.856 -7.144 10.675 1.00 0.00 H new ATOM 0 HD23 LEU A -2 -7.225 -6.522 9.724 1.00 0.00 H new ATOM 43 N GLY A -1 -4.210 -6.171 5.558 1.00 0.00 N ATOM 44 CA GLY A -1 -4.787 -6.449 4.242 1.00 0.00 C ATOM 45 C GLY A -1 -3.729 -6.349 3.150 1.00 0.00 C ATOM 46 O GLY A -1 -3.556 -5.300 2.530 1.00 0.00 O ATOM 0 H GLY A -1 -3.462 -6.809 5.831 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -5.227 -7.446 4.237 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -5.593 -5.744 4.038 1.00 0.00 H new ATOM 50 N SER A 0 -3.031 -7.453 2.914 1.00 0.00 N ATOM 51 CA SER A 0 -1.998 -7.485 1.890 1.00 0.00 C ATOM 52 C SER A 0 -2.617 -7.381 0.499 1.00 0.00 C ATOM 53 O SER A 0 -3.659 -7.974 0.226 1.00 0.00 O ATOM 54 CB SER A 0 -1.193 -8.780 1.997 1.00 0.00 C ATOM 55 OG SER A 0 -0.256 -8.839 0.931 1.00 0.00 O ATOM 0 H SER A 0 -3.161 -8.332 3.415 1.00 0.00 H new ATOM 0 HA SER A 0 -1.335 -6.633 2.045 1.00 0.00 H new ATOM 0 HB2 SER A 0 -0.675 -8.822 2.955 1.00 0.00 H new ATOM 0 HB3 SER A 0 -1.860 -9.641 1.958 1.00 0.00 H new ATOM 0 HG SER A 0 0.263 -9.668 0.997 1.00 0.00 H new ATOM 61 N ARG A 74 -1.962 -6.627 -0.375 1.00 0.00 N ATOM 62 CA ARG A 74 -2.447 -6.456 -1.738 1.00 0.00 C ATOM 63 C ARG A 74 -2.367 -7.772 -2.504 1.00 0.00 C ATOM 64 O ARG A 74 -1.544 -8.635 -2.195 1.00 0.00 O ATOM 65 CB ARG A 74 -1.624 -5.383 -2.451 1.00 0.00 C ATOM 66 CG ARG A 74 -0.149 -5.779 -2.434 1.00 0.00 C ATOM 67 CD ARG A 74 0.680 -4.680 -3.096 1.00 0.00 C ATOM 68 NE ARG A 74 0.288 -4.518 -4.491 1.00 0.00 N ATOM 69 CZ ARG A 74 0.732 -3.497 -5.214 1.00 0.00 C ATOM 70 NH1 ARG A 74 1.537 -2.619 -4.679 1.00 0.00 N ATOM 71 NH2 ARG A 74 0.365 -3.370 -6.459 1.00 0.00 N ATOM 0 H ARG A 74 -1.098 -6.127 -0.166 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.490 -6.141 -1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.969 -5.268 -3.479 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -1.759 -4.419 -1.959 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.185 -5.934 -1.408 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.009 -6.723 -2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.542 -3.740 -2.562 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.740 -4.929 -3.036 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.338 -5.201 -4.919 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.825 -2.718 -3.705 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.878 -1.835 -5.235 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.264 -4.055 -6.878 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.707 -2.585 -7.014 1.00 0.00 H new ATOM 85 N LYS A 75 -3.235 -7.920 -3.498 1.00 0.00 N ATOM 86 CA LYS A 75 -3.270 -9.135 -4.299 1.00 0.00 C ATOM 87 C LYS A 75 -2.008 -9.247 -5.146 1.00 0.00 C ATOM 88 O LYS A 75 -1.388 -8.242 -5.496 1.00 0.00 O ATOM 89 CB LYS A 75 -4.500 -9.117 -5.212 1.00 0.00 C ATOM 90 CG LYS A 75 -5.780 -8.913 -4.387 1.00 0.00 C ATOM 91 CD LYS A 75 -6.095 -10.162 -3.553 1.00 0.00 C ATOM 92 CE LYS A 75 -7.472 -10.001 -2.903 1.00 0.00 C ATOM 93 NZ LYS A 75 -8.517 -9.914 -3.961 1.00 0.00 N ATOM 0 H LYS A 75 -3.922 -7.215 -3.767 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.325 -9.994 -3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.403 -8.318 -5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.563 -10.054 -5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.661 -8.052 -3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.616 -8.694 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.080 -11.049 -4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.333 -10.304 -2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.676 -10.846 -2.245 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.491 -9.104 -2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.427 -10.241 -3.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.609 -8.928 -4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.246 -10.513 -4.767 1.00 0.00 H new ATOM 107 N ILE A 76 -1.631 -10.479 -5.464 1.00 0.00 N ATOM 108 CA ILE A 76 -0.436 -10.720 -6.260 1.00 0.00 C ATOM 109 C ILE A 76 -0.659 -10.286 -7.705 1.00 0.00 C ATOM 110 O ILE A 76 -1.659 -10.646 -8.327 1.00 0.00 O ATOM 111 CB ILE A 76 -0.072 -12.204 -6.223 1.00 0.00 C ATOM 112 CG1 ILE A 76 0.216 -12.624 -4.780 1.00 0.00 C ATOM 113 CG2 ILE A 76 1.174 -12.442 -7.077 1.00 0.00 C ATOM 114 CD1 ILE A 76 0.326 -14.148 -4.704 1.00 0.00 C ATOM 0 H ILE A 76 -2.133 -11.322 -5.184 1.00 0.00 H new ATOM 0 HA ILE A 76 0.382 -10.136 -5.838 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.903 -12.791 -6.614 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.142 -12.164 -4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.579 -12.273 -4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.436 -13.500 -7.052 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.973 -12.142 -8.105 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.003 -11.854 -6.683 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.531 -14.447 -3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.611 -14.597 -5.033 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.137 -14.487 -5.349 1.00 0.00 H new ATOM 126 N ALA A 77 0.281 -9.508 -8.227 1.00 0.00 N ATOM 127 CA ALA A 77 0.191 -9.021 -9.601 1.00 0.00 C ATOM 128 C ALA A 77 0.433 -10.154 -10.592 1.00 0.00 C ATOM 129 O ALA A 77 0.817 -11.257 -10.204 1.00 0.00 O ATOM 130 CB ALA A 77 1.212 -7.907 -9.834 1.00 0.00 C ATOM 0 H ALA A 77 1.113 -9.201 -7.723 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.813 -8.627 -9.757 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.135 -7.552 -10.862 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.013 -7.082 -9.150 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.217 -8.291 -9.657 1.00 0.00 H new ATOM 136 N GLN A 78 0.200 -9.880 -11.870 1.00 0.00 N ATOM 137 CA GLN A 78 0.392 -10.890 -12.901 1.00 0.00 C ATOM 138 C GLN A 78 1.822 -11.419 -12.864 1.00 0.00 C ATOM 139 O GLN A 78 2.764 -10.669 -12.605 1.00 0.00 O ATOM 140 CB GLN A 78 0.108 -10.292 -14.279 1.00 0.00 C ATOM 141 CG GLN A 78 -1.362 -9.876 -14.361 1.00 0.00 C ATOM 142 CD GLN A 78 -1.678 -9.362 -15.762 1.00 0.00 C ATOM 143 OE1 GLN A 78 -1.435 -10.058 -16.748 1.00 0.00 O ATOM 144 NE2 GLN A 78 -2.210 -8.180 -15.911 1.00 0.00 N ATOM 0 H GLN A 78 -0.119 -8.975 -12.214 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.299 -11.712 -12.713 1.00 0.00 H new ATOM 0 HB2 GLN A 78 0.751 -9.429 -14.453 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.335 -11.021 -15.057 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.003 -10.725 -14.122 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.571 -9.101 -13.624 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.411 -7.604 -15.093 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.425 -7.832 -16.845 1.00 0.00 H new ATOM 153 N MET A 79 1.975 -12.716 -13.115 1.00 0.00 N ATOM 154 CA MET A 79 3.295 -13.333 -13.095 1.00 0.00 C ATOM 155 C MET A 79 4.127 -12.849 -14.280 1.00 0.00 C ATOM 156 O MET A 79 3.666 -12.853 -15.421 1.00 0.00 O ATOM 157 CB MET A 79 3.154 -14.862 -13.150 1.00 0.00 C ATOM 158 CG MET A 79 2.825 -15.405 -11.756 1.00 0.00 C ATOM 159 SD MET A 79 1.260 -14.696 -11.191 1.00 0.00 S ATOM 160 CE MET A 79 1.288 -15.392 -9.524 1.00 0.00 C ATOM 0 H MET A 79 1.209 -13.354 -13.332 1.00 0.00 H new ATOM 0 HA MET A 79 3.801 -13.048 -12.172 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.368 -15.138 -13.853 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.079 -15.308 -13.515 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.756 -16.492 -11.784 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.624 -15.155 -11.058 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.396 -15.077 -8.983 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.310 -16.480 -9.584 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.175 -15.039 -8.997 1.00 0.00 H new ATOM 170 N THR A 80 5.358 -12.440 -13.996 1.00 0.00 N ATOM 171 CA THR A 80 6.258 -11.965 -15.039 1.00 0.00 C ATOM 172 C THR A 80 6.862 -13.138 -15.805 1.00 0.00 C ATOM 173 O THR A 80 6.807 -14.282 -15.356 1.00 0.00 O ATOM 174 CB THR A 80 7.370 -11.119 -14.419 1.00 0.00 C ATOM 175 OG1 THR A 80 8.081 -11.898 -13.471 1.00 0.00 O ATOM 176 CG2 THR A 80 6.768 -9.892 -13.732 1.00 0.00 C ATOM 0 H THR A 80 5.754 -12.428 -13.056 1.00 0.00 H new ATOM 0 HA THR A 80 5.687 -11.354 -15.738 1.00 0.00 H new ATOM 0 HB THR A 80 8.052 -10.788 -15.202 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.614 -11.309 -12.898 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.566 -9.293 -13.292 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.227 -9.293 -14.465 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.082 -10.214 -12.949 1.00 0.00 H new ATOM 184 N GLU A 81 7.437 -12.845 -16.966 1.00 0.00 N ATOM 185 CA GLU A 81 8.046 -13.883 -17.785 1.00 0.00 C ATOM 186 C GLU A 81 9.201 -14.548 -17.041 1.00 0.00 C ATOM 187 O GLU A 81 9.429 -15.751 -17.177 1.00 0.00 O ATOM 188 CB GLU A 81 8.556 -13.271 -19.091 1.00 0.00 C ATOM 189 CG GLU A 81 9.618 -12.213 -18.777 1.00 0.00 C ATOM 190 CD GLU A 81 10.036 -11.497 -20.056 1.00 0.00 C ATOM 191 OE1 GLU A 81 9.581 -11.900 -21.114 1.00 0.00 O ATOM 192 OE2 GLU A 81 10.801 -10.551 -19.959 1.00 0.00 O ATOM 0 H GLU A 81 7.494 -11.905 -17.358 1.00 0.00 H new ATOM 0 HA GLU A 81 7.294 -14.641 -18.005 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.978 -14.048 -19.729 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.730 -12.821 -19.641 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.225 -11.493 -18.060 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.485 -12.683 -18.314 1.00 0.00 H new ATOM 199 N GLU A 82 9.921 -13.763 -16.249 1.00 0.00 N ATOM 200 CA GLU A 82 11.042 -14.294 -15.486 1.00 0.00 C ATOM 201 C GLU A 82 10.552 -15.265 -14.414 1.00 0.00 C ATOM 202 O GLU A 82 11.190 -16.285 -14.152 1.00 0.00 O ATOM 203 CB GLU A 82 11.819 -13.144 -14.836 1.00 0.00 C ATOM 204 CG GLU A 82 10.860 -12.280 -14.018 1.00 0.00 C ATOM 205 CD GLU A 82 11.604 -11.100 -13.407 1.00 0.00 C ATOM 206 OE1 GLU A 82 12.509 -11.336 -12.623 1.00 0.00 O ATOM 207 OE2 GLU A 82 11.257 -9.975 -13.730 1.00 0.00 O ATOM 0 H GLU A 82 9.751 -12.766 -16.119 1.00 0.00 H new ATOM 0 HA GLU A 82 11.701 -14.835 -16.166 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.606 -13.540 -14.194 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.306 -12.541 -15.602 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.052 -11.919 -14.654 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.403 -12.878 -13.230 1.00 0.00 H new ATOM 214 N GLU A 83 9.407 -14.954 -13.813 1.00 0.00 N ATOM 215 CA GLU A 83 8.836 -15.818 -12.786 1.00 0.00 C ATOM 216 C GLU A 83 8.443 -17.165 -13.377 1.00 0.00 C ATOM 217 O GLU A 83 8.645 -18.210 -12.757 1.00 0.00 O ATOM 218 CB GLU A 83 7.613 -15.147 -12.151 1.00 0.00 C ATOM 219 CG GLU A 83 8.066 -14.025 -11.213 1.00 0.00 C ATOM 220 CD GLU A 83 6.853 -13.279 -10.665 1.00 0.00 C ATOM 221 OE1 GLU A 83 6.025 -12.873 -11.463 1.00 0.00 O ATOM 222 OE2 GLU A 83 6.769 -13.129 -9.459 1.00 0.00 O ATOM 0 H GLU A 83 8.861 -14.117 -14.017 1.00 0.00 H new ATOM 0 HA GLU A 83 9.590 -15.983 -12.017 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.963 -14.744 -12.928 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.029 -15.883 -11.598 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.649 -14.441 -10.391 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.717 -13.334 -11.748 1.00 0.00 H new ATOM 229 N GLN A 84 7.880 -17.136 -14.575 1.00 0.00 N ATOM 230 CA GLN A 84 7.465 -18.365 -15.234 1.00 0.00 C ATOM 231 C GLN A 84 8.674 -19.252 -15.507 1.00 0.00 C ATOM 232 O GLN A 84 8.623 -20.466 -15.320 1.00 0.00 O ATOM 233 CB GLN A 84 6.758 -18.029 -16.550 1.00 0.00 C ATOM 234 CG GLN A 84 5.411 -17.353 -16.265 1.00 0.00 C ATOM 235 CD GLN A 84 4.470 -18.322 -15.559 1.00 0.00 C ATOM 236 OE1 GLN A 84 3.824 -17.933 -14.495 1.00 0.00 O flip ATOM 237 NE2 GLN A 84 4.319 -19.466 -15.990 1.00 0.00 N flip ATOM 0 H GLN A 84 7.701 -16.284 -15.107 1.00 0.00 H new ATOM 0 HA GLN A 84 6.777 -18.903 -14.581 1.00 0.00 H new ATOM 0 HB2 GLN A 84 7.385 -17.370 -17.151 1.00 0.00 H new ATOM 0 HB3 GLN A 84 6.602 -18.938 -17.131 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.564 -16.469 -15.646 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.962 -17.015 -17.199 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.825 -19.768 -16.822 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.688 -20.111 -15.515 1.00 0.00 H new ATOM 246 N PHE A 85 9.764 -18.635 -15.946 1.00 0.00 N ATOM 247 CA PHE A 85 10.982 -19.379 -16.236 1.00 0.00 C ATOM 248 C PHE A 85 11.507 -20.058 -14.974 1.00 0.00 C ATOM 249 O PHE A 85 11.854 -21.240 -14.987 1.00 0.00 O ATOM 250 CB PHE A 85 12.045 -18.438 -16.800 1.00 0.00 C ATOM 251 CG PHE A 85 13.307 -19.218 -17.082 1.00 0.00 C ATOM 252 CD1 PHE A 85 13.344 -20.110 -18.159 1.00 0.00 C ATOM 253 CD2 PHE A 85 14.440 -19.048 -16.276 1.00 0.00 C ATOM 254 CE1 PHE A 85 14.509 -20.835 -18.431 1.00 0.00 C ATOM 255 CE2 PHE A 85 15.608 -19.773 -16.548 1.00 0.00 C ATOM 256 CZ PHE A 85 15.641 -20.666 -17.624 1.00 0.00 C ATOM 0 H PHE A 85 9.829 -17.630 -16.108 1.00 0.00 H new ATOM 0 HA PHE A 85 10.753 -20.147 -16.975 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.683 -17.969 -17.715 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.251 -17.637 -16.090 1.00 0.00 H new ATOM 0 HD1 PHE A 85 12.471 -20.239 -18.782 1.00 0.00 H new ATOM 0 HD2 PHE A 85 14.413 -18.358 -15.445 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.535 -21.524 -19.262 1.00 0.00 H new ATOM 0 HE2 PHE A 85 16.482 -19.642 -15.927 1.00 0.00 H new ATOM 0 HZ PHE A 85 16.541 -21.226 -17.833 1.00 0.00 H new ATOM 266 N ALA A 86 11.561 -19.300 -13.882 1.00 0.00 N ATOM 267 CA ALA A 86 12.043 -19.832 -12.614 1.00 0.00 C ATOM 268 C ALA A 86 11.153 -20.974 -12.148 1.00 0.00 C ATOM 269 O ALA A 86 11.628 -21.973 -11.612 1.00 0.00 O ATOM 270 CB ALA A 86 12.063 -18.730 -11.554 1.00 0.00 C ATOM 0 H ALA A 86 11.278 -18.321 -13.851 1.00 0.00 H new ATOM 0 HA ALA A 86 13.056 -20.208 -12.759 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.425 -19.139 -10.611 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.723 -17.926 -11.878 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.055 -18.339 -11.417 1.00 0.00 H new ATOM 276 N LEU A 87 9.858 -20.814 -12.356 1.00 0.00 N ATOM 277 CA LEU A 87 8.904 -21.834 -11.954 1.00 0.00 C ATOM 278 C LEU A 87 9.179 -23.141 -12.684 1.00 0.00 C ATOM 279 O LEU A 87 9.112 -24.217 -12.091 1.00 0.00 O ATOM 280 CB LEU A 87 7.476 -21.364 -12.258 1.00 0.00 C ATOM 281 CG LEU A 87 6.444 -22.449 -11.832 1.00 0.00 C ATOM 282 CD1 LEU A 87 5.229 -21.795 -11.162 1.00 0.00 C ATOM 283 CD2 LEU A 87 5.955 -23.242 -13.059 1.00 0.00 C ATOM 0 H LEU A 87 9.444 -19.993 -12.798 1.00 0.00 H new ATOM 0 HA LEU A 87 9.009 -22.002 -10.882 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.273 -20.433 -11.729 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.374 -21.155 -13.323 1.00 0.00 H new ATOM 0 HG LEU A 87 6.938 -23.122 -11.131 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.516 -22.566 -10.870 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.553 -21.246 -10.278 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.754 -21.108 -11.862 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.234 -23.996 -12.742 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.481 -22.562 -13.766 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.803 -23.730 -13.538 1.00 0.00 H new ATOM 295 N ALA A 88 9.480 -23.047 -13.973 1.00 0.00 N ATOM 296 CA ALA A 88 9.752 -24.238 -14.765 1.00 0.00 C ATOM 297 C ALA A 88 10.952 -24.992 -14.200 1.00 0.00 C ATOM 298 O ALA A 88 10.938 -26.219 -14.096 1.00 0.00 O ATOM 299 CB ALA A 88 10.039 -23.835 -16.212 1.00 0.00 C ATOM 0 H ALA A 88 9.541 -22.168 -14.487 1.00 0.00 H new ATOM 0 HA ALA A 88 8.879 -24.889 -14.730 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.243 -24.727 -16.805 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.174 -23.316 -16.624 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.906 -23.175 -16.241 1.00 0.00 H new ATOM 305 N LEU A 89 11.983 -24.247 -13.824 1.00 0.00 N ATOM 306 CA LEU A 89 13.180 -24.853 -13.258 1.00 0.00 C ATOM 307 C LEU A 89 12.862 -25.508 -11.924 1.00 0.00 C ATOM 308 O LEU A 89 13.392 -26.568 -11.591 1.00 0.00 O ATOM 309 CB LEU A 89 14.271 -23.796 -13.074 1.00 0.00 C ATOM 310 CG LEU A 89 14.786 -23.332 -14.446 1.00 0.00 C ATOM 311 CD1 LEU A 89 15.721 -22.130 -14.257 1.00 0.00 C ATOM 312 CD2 LEU A 89 15.537 -24.477 -15.167 1.00 0.00 C ATOM 0 H LEU A 89 12.015 -23.230 -13.900 1.00 0.00 H new ATOM 0 HA LEU A 89 13.540 -25.617 -13.947 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.876 -22.946 -12.518 1.00 0.00 H new ATOM 0 HB3 LEU A 89 15.093 -24.207 -12.487 1.00 0.00 H new ATOM 0 HG LEU A 89 13.935 -23.042 -15.062 1.00 0.00 H new ATOM 0 HD11 LEU A 89 16.088 -21.798 -15.228 1.00 0.00 H new ATOM 0 HD12 LEU A 89 15.176 -21.317 -13.778 1.00 0.00 H new ATOM 0 HD13 LEU A 89 16.564 -22.420 -13.630 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.892 -24.126 -16.136 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.387 -24.793 -14.562 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.862 -25.320 -15.312 1.00 0.00 H new ATOM 324 N LYS A 90 11.997 -24.864 -11.158 1.00 0.00 N ATOM 325 CA LYS A 90 11.624 -25.387 -9.858 1.00 0.00 C ATOM 326 C LYS A 90 10.919 -26.729 -10.015 1.00 0.00 C ATOM 327 O LYS A 90 11.139 -27.653 -9.233 1.00 0.00 O ATOM 328 CB LYS A 90 10.689 -24.408 -9.146 1.00 0.00 C ATOM 329 CG LYS A 90 10.561 -24.791 -7.660 1.00 0.00 C ATOM 330 CD LYS A 90 11.697 -24.152 -6.837 1.00 0.00 C ATOM 331 CE LYS A 90 11.302 -22.733 -6.412 1.00 0.00 C ATOM 332 NZ LYS A 90 12.429 -22.107 -5.663 1.00 0.00 N ATOM 0 H LYS A 90 11.544 -23.986 -11.412 1.00 0.00 H new ATOM 0 HA LYS A 90 12.529 -25.520 -9.266 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.074 -23.392 -9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.707 -24.420 -9.619 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.596 -24.461 -7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.593 -25.875 -7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.905 -24.760 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 90 12.613 -24.122 -7.428 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.057 -22.134 -7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.409 -22.764 -5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.162 -21.144 -5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.642 -22.675 -4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.270 -22.064 -6.273 1.00 0.00 H new ATOM 346 N MET A 91 10.068 -26.830 -11.028 1.00 0.00 N ATOM 347 CA MET A 91 9.336 -28.066 -11.272 1.00 0.00 C ATOM 348 C MET A 91 10.299 -29.201 -11.597 1.00 0.00 C ATOM 349 O MET A 91 10.127 -30.327 -11.134 1.00 0.00 O ATOM 350 CB MET A 91 8.365 -27.866 -12.437 1.00 0.00 C ATOM 351 CG MET A 91 7.226 -26.936 -12.010 1.00 0.00 C ATOM 352 SD MET A 91 6.191 -27.767 -10.780 1.00 0.00 S ATOM 353 CE MET A 91 5.058 -26.392 -10.468 1.00 0.00 C ATOM 0 H MET A 91 9.869 -26.079 -11.688 1.00 0.00 H new ATOM 0 HA MET A 91 8.779 -28.327 -10.372 1.00 0.00 H new ATOM 0 HB2 MET A 91 8.891 -27.442 -13.292 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.962 -28.827 -12.755 1.00 0.00 H new ATOM 0 HG2 MET A 91 7.633 -26.014 -11.595 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.626 -26.658 -12.877 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.320 -26.691 -9.724 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.620 -25.534 -10.098 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.551 -26.121 -11.394 1.00 0.00 H new ATOM 363 N SER A 92 11.319 -28.899 -12.393 1.00 0.00 N ATOM 364 CA SER A 92 12.302 -29.908 -12.765 1.00 0.00 C ATOM 365 C SER A 92 13.049 -30.409 -11.529 1.00 0.00 C ATOM 366 O SER A 92 13.321 -31.605 -11.387 1.00 0.00 O ATOM 367 CB SER A 92 13.296 -29.314 -13.766 1.00 0.00 C ATOM 368 OG SER A 92 12.612 -28.976 -14.965 1.00 0.00 O ATOM 0 H SER A 92 11.485 -27.974 -12.789 1.00 0.00 H new ATOM 0 HA SER A 92 11.784 -30.750 -13.224 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.770 -28.429 -13.343 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.090 -30.031 -13.977 1.00 0.00 H new ATOM 0 HG SER A 92 12.078 -28.167 -14.820 1.00 0.00 H new ATOM 374 N GLU A 93 13.377 -29.483 -10.636 1.00 0.00 N ATOM 375 CA GLU A 93 14.092 -29.835 -9.415 1.00 0.00 C ATOM 376 C GLU A 93 13.239 -30.749 -8.541 1.00 0.00 C ATOM 377 O GLU A 93 13.738 -31.705 -7.946 1.00 0.00 O ATOM 378 CB GLU A 93 14.444 -28.567 -8.638 1.00 0.00 C ATOM 379 CG GLU A 93 15.511 -27.778 -9.399 1.00 0.00 C ATOM 380 CD GLU A 93 15.752 -26.436 -8.718 1.00 0.00 C ATOM 381 OE1 GLU A 93 14.993 -26.103 -7.823 1.00 0.00 O ATOM 382 OE2 GLU A 93 16.690 -25.757 -9.102 1.00 0.00 O ATOM 0 H GLU A 93 13.162 -28.491 -10.733 1.00 0.00 H new ATOM 0 HA GLU A 93 15.007 -30.362 -9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.553 -27.954 -8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.809 -28.827 -7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 93 16.439 -28.348 -9.436 1.00 0.00 H new ATOM 0 HG3 GLU A 93 15.193 -27.620 -10.429 1.00 0.00 H new ATOM 389 N GLN A 94 11.945 -30.454 -8.479 1.00 0.00 N ATOM 390 CA GLN A 94 11.027 -31.259 -7.685 1.00 0.00 C ATOM 391 C GLN A 94 10.962 -32.681 -8.232 1.00 0.00 C ATOM 392 O GLN A 94 10.916 -33.645 -7.473 1.00 0.00 O ATOM 393 CB GLN A 94 9.629 -30.637 -7.709 1.00 0.00 C ATOM 394 CG GLN A 94 9.621 -29.335 -6.901 1.00 0.00 C ATOM 395 CD GLN A 94 9.826 -29.638 -5.419 1.00 0.00 C ATOM 396 OE1 GLN A 94 9.106 -30.457 -4.848 1.00 0.00 O ATOM 397 NE2 GLN A 94 10.769 -29.023 -4.761 1.00 0.00 N ATOM 0 H GLN A 94 11.512 -29.669 -8.965 1.00 0.00 H new ATOM 0 HA GLN A 94 11.391 -31.289 -6.658 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.328 -30.438 -8.738 1.00 0.00 H new ATOM 0 HB3 GLN A 94 8.903 -31.337 -7.294 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.409 -28.672 -7.257 1.00 0.00 H new ATOM 0 HG3 GLN A 94 8.675 -28.813 -7.046 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.364 -28.345 -5.237 1.00 0.00 H new ATOM 0 HE22 GLN A 94 10.912 -29.220 -3.770 1.00 0.00 H new ATOM 406 N GLU A 95 10.967 -32.807 -9.552 1.00 0.00 N ATOM 407 CA GLU A 95 10.903 -34.121 -10.171 1.00 0.00 C ATOM 408 C GLU A 95 12.105 -34.960 -9.754 1.00 0.00 C ATOM 409 O GLU A 95 11.976 -36.156 -9.488 1.00 0.00 O ATOM 410 CB GLU A 95 10.877 -33.979 -11.690 1.00 0.00 C ATOM 411 CG GLU A 95 9.529 -33.400 -12.120 1.00 0.00 C ATOM 412 CD GLU A 95 9.551 -33.085 -13.610 1.00 0.00 C ATOM 413 OE1 GLU A 95 10.625 -33.120 -14.185 1.00 0.00 O ATOM 414 OE2 GLU A 95 8.493 -32.812 -14.153 1.00 0.00 O ATOM 0 H GLU A 95 11.014 -32.026 -10.206 1.00 0.00 H new ATOM 0 HA GLU A 95 9.992 -34.620 -9.840 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.687 -33.329 -12.020 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.036 -34.949 -12.160 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.732 -34.111 -11.902 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.314 -32.495 -11.551 1.00 0.00 H new ATOM 421 N ALA A 96 13.269 -34.327 -9.687 1.00 0.00 N ATOM 422 CA ALA A 96 14.482 -35.034 -9.289 1.00 0.00 C ATOM 423 C ALA A 96 14.372 -35.551 -7.852 1.00 0.00 C ATOM 424 O ALA A 96 14.837 -36.647 -7.539 1.00 0.00 O ATOM 425 CB ALA A 96 15.688 -34.100 -9.402 1.00 0.00 C ATOM 0 H ALA A 96 13.400 -33.338 -9.900 1.00 0.00 H new ATOM 0 HA ALA A 96 14.611 -35.887 -9.955 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.591 -34.633 -9.104 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.791 -33.762 -10.433 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.543 -33.239 -8.750 1.00 0.00 H new ATOM 431 N ARG A 97 13.769 -34.748 -6.980 1.00 0.00 N ATOM 432 CA ARG A 97 13.616 -35.132 -5.575 1.00 0.00 C ATOM 433 C ARG A 97 12.403 -36.042 -5.385 1.00 0.00 C ATOM 434 O ARG A 97 12.295 -36.750 -4.383 1.00 0.00 O ATOM 435 CB ARG A 97 13.451 -33.873 -4.719 1.00 0.00 C ATOM 436 CG ARG A 97 14.649 -32.931 -4.922 1.00 0.00 C ATOM 437 CD ARG A 97 15.955 -33.653 -4.578 1.00 0.00 C ATOM 438 NE ARG A 97 15.757 -34.509 -3.414 1.00 0.00 N ATOM 439 CZ ARG A 97 16.599 -35.498 -3.134 1.00 0.00 C ATOM 440 NH1 ARG A 97 17.622 -35.725 -3.908 1.00 0.00 N ATOM 441 NH2 ARG A 97 16.393 -36.249 -2.084 1.00 0.00 N ATOM 0 H ARG A 97 13.381 -33.835 -7.216 1.00 0.00 H new ATOM 0 HA ARG A 97 14.507 -35.679 -5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.527 -33.361 -4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 97 13.369 -34.148 -3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.678 -32.585 -5.955 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.537 -32.048 -4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.285 -34.251 -5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 97 16.741 -32.925 -4.376 1.00 0.00 H new ATOM 0 HE ARG A 97 14.957 -34.345 -2.803 1.00 0.00 H new ATOM 0 HH11 ARG A 97 17.778 -35.143 -4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 97 18.267 -36.485 -3.691 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.588 -36.075 -1.483 1.00 0.00 H new ATOM 0 HH22 ARG A 97 17.037 -37.009 -1.866 1.00 0.00 H new ATOM 455 N GLU A 98 11.499 -36.022 -6.358 1.00 0.00 N ATOM 456 CA GLU A 98 10.292 -36.847 -6.307 1.00 0.00 C ATOM 457 C GLU A 98 10.564 -38.213 -6.928 1.00 0.00 C ATOM 458 O GLU A 98 9.645 -38.999 -7.163 1.00 0.00 O ATOM 459 CB GLU A 98 9.129 -36.136 -7.026 1.00 0.00 C ATOM 460 CG GLU A 98 8.325 -35.287 -6.027 1.00 0.00 C ATOM 461 CD GLU A 98 9.256 -34.356 -5.256 1.00 0.00 C ATOM 462 OE1 GLU A 98 9.757 -34.773 -4.224 1.00 0.00 O ATOM 463 OE2 GLU A 98 9.462 -33.244 -5.711 1.00 0.00 O ATOM 0 H GLU A 98 11.577 -35.443 -7.194 1.00 0.00 H new ATOM 0 HA GLU A 98 10.007 -36.996 -5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.518 -35.502 -7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.477 -36.873 -7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.573 -34.703 -6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.792 -35.937 -5.333 1.00 0.00 H new ATOM 470 N VAL A 99 11.831 -38.486 -7.190 1.00 0.00 N ATOM 471 CA VAL A 99 12.214 -39.760 -7.784 1.00 0.00 C ATOM 472 C VAL A 99 11.828 -40.908 -6.858 1.00 0.00 C ATOM 473 O VAL A 99 12.016 -40.833 -5.643 1.00 0.00 O ATOM 474 CB VAL A 99 13.726 -39.787 -8.044 1.00 0.00 C ATOM 475 CG1 VAL A 99 14.159 -41.199 -8.458 1.00 0.00 C ATOM 476 CG2 VAL A 99 14.068 -38.802 -9.167 1.00 0.00 C ATOM 0 H VAL A 99 12.607 -37.851 -7.004 1.00 0.00 H new ATOM 0 HA VAL A 99 11.688 -39.876 -8.732 1.00 0.00 H new ATOM 0 HB VAL A 99 14.251 -39.502 -7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.233 -41.211 -8.641 1.00 0.00 H new ATOM 0 HG12 VAL A 99 13.919 -41.902 -7.660 1.00 0.00 H new ATOM 0 HG13 VAL A 99 13.633 -41.489 -9.367 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.142 -38.820 -9.353 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.538 -39.088 -10.076 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.768 -37.796 -8.873 1.00 0.00 H new ATOM 486 N ASN A 100 11.276 -41.966 -7.443 1.00 0.00 N ATOM 487 CA ASN A 100 10.855 -43.120 -6.663 1.00 0.00 C ATOM 488 C ASN A 100 12.013 -43.651 -5.828 1.00 0.00 C ATOM 489 O ASN A 100 13.073 -43.989 -6.356 1.00 0.00 O ATOM 490 CB ASN A 100 10.359 -44.220 -7.604 1.00 0.00 C ATOM 491 CG ASN A 100 9.031 -43.811 -8.236 1.00 0.00 C ATOM 492 OD1 ASN A 100 8.313 -42.975 -7.689 1.00 0.00 O ATOM 493 ND2 ASN A 100 8.668 -44.349 -9.368 1.00 0.00 N ATOM 0 H ASN A 100 11.111 -42.047 -8.446 1.00 0.00 H new ATOM 0 HA ASN A 100 10.050 -42.816 -5.994 1.00 0.00 H new ATOM 0 HB2 ASN A 100 11.099 -44.405 -8.382 1.00 0.00 H new ATOM 0 HB3 ASN A 100 10.236 -45.153 -7.053 1.00 0.00 H new ATOM 0 HD21 ASN A 100 7.786 -44.077 -9.802 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.266 -45.042 -9.818 1.00 0.00 H new ATOM 500 N SER A 101 11.793 -43.730 -4.522 1.00 0.00 N ATOM 501 CA SER A 101 12.808 -44.229 -3.601 1.00 0.00 C ATOM 502 C SER A 101 13.050 -45.713 -3.832 1.00 0.00 C ATOM 503 O SER A 101 14.093 -46.252 -3.459 1.00 0.00 O ATOM 504 CB SER A 101 12.375 -43.992 -2.154 1.00 0.00 C ATOM 505 OG SER A 101 12.343 -42.593 -1.902 1.00 0.00 O ATOM 0 H SER A 101 10.919 -43.454 -4.075 1.00 0.00 H new ATOM 0 HA SER A 101 13.736 -43.688 -3.786 1.00 0.00 H new ATOM 0 HB2 SER A 101 11.391 -44.428 -1.979 1.00 0.00 H new ATOM 0 HB3 SER A 101 13.067 -44.482 -1.469 1.00 0.00 H new ATOM 0 HG SER A 101 12.064 -42.434 -0.976 1.00 0.00 H new ATOM 511 N GLN A 102 12.072 -46.368 -4.438 1.00 0.00 N ATOM 512 CA GLN A 102 12.177 -47.792 -4.710 1.00 0.00 C ATOM 513 C GLN A 102 13.362 -48.070 -5.626 1.00 0.00 C ATOM 514 O GLN A 102 13.962 -49.138 -5.562 1.00 0.00 O ATOM 515 CB GLN A 102 10.892 -48.304 -5.366 1.00 0.00 C ATOM 516 CG GLN A 102 9.749 -48.271 -4.350 1.00 0.00 C ATOM 517 CD GLN A 102 8.474 -48.821 -4.981 1.00 0.00 C ATOM 518 OE1 GLN A 102 8.493 -49.893 -5.587 1.00 0.00 O ATOM 519 NE2 GLN A 102 7.362 -48.148 -4.874 1.00 0.00 N ATOM 0 H GLN A 102 11.201 -45.938 -4.749 1.00 0.00 H new ATOM 0 HA GLN A 102 12.327 -48.312 -3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.642 -47.688 -6.230 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.038 -49.321 -5.731 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.014 -48.861 -3.473 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.584 -47.249 -4.009 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.349 -47.260 -4.371 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.505 -48.509 -5.293 1.00 0.00 H new ATOM 528 N GLU A 103 13.697 -47.112 -6.480 1.00 0.00 N ATOM 529 CA GLU A 103 14.812 -47.297 -7.397 1.00 0.00 C ATOM 530 C GLU A 103 16.108 -47.520 -6.620 1.00 0.00 C ATOM 531 O GLU A 103 16.904 -48.400 -6.956 1.00 0.00 O ATOM 532 CB GLU A 103 14.948 -46.051 -8.280 1.00 0.00 C ATOM 533 CG GLU A 103 16.092 -46.236 -9.278 1.00 0.00 C ATOM 534 CD GLU A 103 16.150 -45.047 -10.233 1.00 0.00 C ATOM 535 OE1 GLU A 103 15.274 -44.200 -10.151 1.00 0.00 O ATOM 536 OE2 GLU A 103 17.069 -44.998 -11.033 1.00 0.00 O ATOM 0 H GLU A 103 13.221 -46.213 -6.557 1.00 0.00 H new ATOM 0 HA GLU A 103 14.623 -48.173 -8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 103 14.015 -45.871 -8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.135 -45.175 -7.659 1.00 0.00 H new ATOM 0 HG2 GLU A 103 17.038 -46.331 -8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.949 -47.158 -9.841 1.00 0.00 H new ATOM 543 N GLU A 104 16.305 -46.738 -5.567 1.00 0.00 N ATOM 544 CA GLU A 104 17.497 -46.883 -4.746 1.00 0.00 C ATOM 545 C GLU A 104 17.482 -48.227 -4.024 1.00 0.00 C ATOM 546 O GLU A 104 18.509 -48.897 -3.910 1.00 0.00 O ATOM 547 CB GLU A 104 17.578 -45.743 -3.730 1.00 0.00 C ATOM 548 CG GLU A 104 18.871 -45.866 -2.920 1.00 0.00 C ATOM 549 CD GLU A 104 19.001 -44.686 -1.965 1.00 0.00 C ATOM 550 OE1 GLU A 104 18.182 -44.580 -1.068 1.00 0.00 O ATOM 551 OE2 GLU A 104 19.915 -43.899 -2.151 1.00 0.00 O ATOM 0 H GLU A 104 15.663 -46.006 -5.265 1.00 0.00 H new ATOM 0 HA GLU A 104 18.373 -46.843 -5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 104 17.549 -44.782 -4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.716 -45.774 -3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 104 18.871 -46.800 -2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 104 19.729 -45.897 -3.591 1.00 0.00 H new ATOM 558 N GLU A 105 16.309 -48.609 -3.533 1.00 0.00 N ATOM 559 CA GLU A 105 16.162 -49.872 -2.818 1.00 0.00 C ATOM 560 C GLU A 105 16.460 -51.048 -3.743 1.00 0.00 C ATOM 561 O GLU A 105 17.091 -52.023 -3.339 1.00 0.00 O ATOM 562 CB GLU A 105 14.743 -49.994 -2.263 1.00 0.00 C ATOM 563 CG GLU A 105 14.549 -48.983 -1.132 1.00 0.00 C ATOM 564 CD GLU A 105 13.085 -48.947 -0.711 1.00 0.00 C ATOM 565 OE1 GLU A 105 12.273 -49.526 -1.413 1.00 0.00 O ATOM 566 OE2 GLU A 105 12.797 -48.338 0.306 1.00 0.00 O ATOM 0 H GLU A 105 15.450 -48.066 -3.616 1.00 0.00 H new ATOM 0 HA GLU A 105 16.874 -49.889 -1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 105 14.015 -49.815 -3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.571 -51.005 -1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.174 -49.253 -0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.866 -47.993 -1.460 1.00 0.00 H new ATOM 573 N GLU A 106 16.008 -50.943 -4.989 1.00 0.00 N ATOM 574 CA GLU A 106 16.241 -52.003 -5.961 1.00 0.00 C ATOM 575 C GLU A 106 17.734 -52.204 -6.181 1.00 0.00 C ATOM 576 O GLU A 106 18.207 -53.336 -6.284 1.00 0.00 O ATOM 577 CB GLU A 106 15.568 -51.647 -7.291 1.00 0.00 C ATOM 578 CG GLU A 106 14.053 -51.807 -7.168 1.00 0.00 C ATOM 579 CD GLU A 106 13.363 -51.195 -8.382 1.00 0.00 C ATOM 580 OE1 GLU A 106 13.999 -50.409 -9.066 1.00 0.00 O ATOM 581 OE2 GLU A 106 12.211 -51.523 -8.615 1.00 0.00 O ATOM 0 H GLU A 106 15.484 -50.144 -5.346 1.00 0.00 H new ATOM 0 HA GLU A 106 15.814 -52.929 -5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 106 15.813 -50.622 -7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 106 15.947 -52.291 -8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.796 -52.863 -7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.701 -51.323 -6.257 1.00 0.00 H new ATOM 588 N GLU A 107 18.475 -51.107 -6.244 1.00 0.00 N ATOM 589 CA GLU A 107 19.914 -51.199 -6.442 1.00 0.00 C ATOM 590 C GLU A 107 20.554 -51.956 -5.281 1.00 0.00 C ATOM 591 O GLU A 107 21.436 -52.791 -5.477 1.00 0.00 O ATOM 592 CB GLU A 107 20.518 -49.799 -6.543 1.00 0.00 C ATOM 593 CG GLU A 107 22.014 -49.900 -6.854 1.00 0.00 C ATOM 594 CD GLU A 107 22.619 -48.504 -6.954 1.00 0.00 C ATOM 595 OE1 GLU A 107 22.631 -47.812 -5.947 1.00 0.00 O ATOM 596 OE2 GLU A 107 23.054 -48.142 -8.033 1.00 0.00 O ATOM 0 H GLU A 107 18.111 -50.158 -6.162 1.00 0.00 H new ATOM 0 HA GLU A 107 20.108 -51.739 -7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 107 20.013 -49.231 -7.324 1.00 0.00 H new ATOM 0 HB3 GLU A 107 20.367 -49.260 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 107 22.519 -50.469 -6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 107 22.164 -50.439 -7.790 1.00 0.00 H new ATOM 603 N GLU A 108 20.103 -51.655 -4.067 1.00 0.00 N ATOM 604 CA GLU A 108 20.640 -52.309 -2.880 1.00 0.00 C ATOM 605 C GLU A 108 20.356 -53.807 -2.909 1.00 0.00 C ATOM 606 O GLU A 108 21.215 -54.619 -2.563 1.00 0.00 O ATOM 607 CB GLU A 108 20.026 -51.693 -1.619 1.00 0.00 C ATOM 608 CG GLU A 108 20.626 -52.357 -0.377 1.00 0.00 C ATOM 609 CD GLU A 108 20.130 -51.652 0.881 1.00 0.00 C ATOM 610 OE1 GLU A 108 19.373 -50.705 0.747 1.00 0.00 O ATOM 611 OE2 GLU A 108 20.516 -52.067 1.961 1.00 0.00 O ATOM 0 H GLU A 108 19.373 -50.968 -3.881 1.00 0.00 H new ATOM 0 HA GLU A 108 21.720 -52.160 -2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 108 20.216 -50.620 -1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 108 18.944 -51.825 -1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 108 20.348 -53.411 -0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 108 21.714 -52.316 -0.422 1.00 0.00 H new ATOM 618 N LEU A 109 19.147 -54.167 -3.321 1.00 0.00 N ATOM 619 CA LEU A 109 18.763 -55.571 -3.384 1.00 0.00 C ATOM 620 C LEU A 109 19.650 -56.315 -4.382 1.00 0.00 C ATOM 621 O LEU A 109 20.059 -57.451 -4.140 1.00 0.00 O ATOM 622 CB LEU A 109 17.273 -55.694 -3.788 1.00 0.00 C ATOM 623 CG LEU A 109 16.370 -55.772 -2.544 1.00 0.00 C ATOM 624 CD1 LEU A 109 16.361 -54.426 -1.818 1.00 0.00 C ATOM 625 CD2 LEU A 109 14.944 -56.122 -2.979 1.00 0.00 C ATOM 0 H LEU A 109 18.421 -53.513 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 109 18.897 -56.020 -2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 109 16.986 -54.837 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 109 17.131 -56.584 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 109 16.752 -56.538 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 109 15.719 -54.491 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 109 17.375 -54.172 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 109 15.982 -53.654 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 109 14.300 -56.179 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 109 14.570 -55.352 -3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 109 14.946 -57.084 -3.491 1.00 0.00 H new ATOM 637 N LEU A 110 19.946 -55.674 -5.500 1.00 0.00 N ATOM 638 CA LEU A 110 20.784 -56.296 -6.510 1.00 0.00 C ATOM 639 C LEU A 110 22.176 -56.562 -5.955 1.00 0.00 C ATOM 640 O LEU A 110 22.766 -57.613 -6.204 1.00 0.00 O ATOM 641 CB LEU A 110 20.871 -55.379 -7.732 1.00 0.00 C ATOM 642 CG LEU A 110 19.514 -55.339 -8.457 1.00 0.00 C ATOM 643 CD1 LEU A 110 19.534 -54.213 -9.496 1.00 0.00 C ATOM 644 CD2 LEU A 110 19.225 -56.684 -9.160 1.00 0.00 C ATOM 0 H LEU A 110 19.623 -54.734 -5.730 1.00 0.00 H new ATOM 0 HA LEU A 110 20.343 -57.249 -6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 110 21.157 -54.374 -7.423 1.00 0.00 H new ATOM 0 HB3 LEU A 110 21.645 -55.737 -8.411 1.00 0.00 H new ATOM 0 HG LEU A 110 18.729 -55.160 -7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 110 18.575 -54.179 -10.014 1.00 0.00 H new ATOM 0 HD12 LEU A 110 19.711 -53.260 -8.997 1.00 0.00 H new ATOM 0 HD13 LEU A 110 20.330 -54.398 -10.218 1.00 0.00 H new ATOM 0 HD21 LEU A 110 18.261 -56.631 -9.665 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.007 -56.888 -9.891 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.203 -57.484 -8.420 1.00 0.00 H new ATOM 656 N ARG A 111 22.693 -55.611 -5.193 1.00 0.00 N ATOM 657 CA ARG A 111 24.013 -55.764 -4.604 1.00 0.00 C ATOM 658 C ARG A 111 24.029 -56.939 -3.630 1.00 0.00 C ATOM 659 O ARG A 111 24.984 -57.713 -3.587 1.00 0.00 O ATOM 660 CB ARG A 111 24.412 -54.480 -3.880 1.00 0.00 C ATOM 661 CG ARG A 111 25.820 -54.636 -3.305 1.00 0.00 C ATOM 662 CD ARG A 111 26.269 -53.312 -2.694 1.00 0.00 C ATOM 663 NE ARG A 111 25.354 -52.917 -1.631 1.00 0.00 N ATOM 664 CZ ARG A 111 25.441 -53.449 -0.417 1.00 0.00 C ATOM 665 NH1 ARG A 111 26.350 -54.348 -0.163 1.00 0.00 N ATOM 666 NH2 ARG A 111 24.613 -53.073 0.518 1.00 0.00 N ATOM 0 H ARG A 111 22.224 -54.733 -4.970 1.00 0.00 H new ATOM 0 HA ARG A 111 24.730 -55.963 -5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 111 24.381 -53.636 -4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 111 23.703 -54.265 -3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 111 25.831 -55.420 -2.548 1.00 0.00 H new ATOM 0 HG3 ARG A 111 26.513 -54.941 -4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 111 27.280 -53.409 -2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 111 26.301 -52.540 -3.463 1.00 0.00 H new ATOM 0 HE ARG A 111 24.634 -52.220 -1.822 1.00 0.00 H new ATOM 0 HH11 ARG A 111 26.995 -54.643 -0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 111 26.417 -54.756 0.769 1.00 0.00 H new ATOM 0 HH21 ARG A 111 23.900 -52.372 0.316 1.00 0.00 H new ATOM 0 HH22 ARG A 111 24.678 -53.480 1.451 1.00 0.00 H new ATOM 680 N LYS A 112 22.963 -57.060 -2.846 1.00 0.00 N ATOM 681 CA LYS A 112 22.862 -58.138 -1.871 1.00 0.00 C ATOM 682 C LYS A 112 22.855 -59.495 -2.572 1.00 0.00 C ATOM 683 O LYS A 112 23.498 -60.440 -2.120 1.00 0.00 O ATOM 684 CB LYS A 112 21.584 -57.978 -1.042 1.00 0.00 C ATOM 685 CG LYS A 112 21.525 -59.071 0.030 1.00 0.00 C ATOM 686 CD LYS A 112 20.261 -58.893 0.872 1.00 0.00 C ATOM 687 CE LYS A 112 20.201 -59.991 1.933 1.00 0.00 C ATOM 688 NZ LYS A 112 18.966 -59.823 2.749 1.00 0.00 N ATOM 0 H LYS A 112 22.162 -56.429 -2.867 1.00 0.00 H new ATOM 0 HA LYS A 112 23.728 -58.088 -1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 112 21.563 -56.994 -0.574 1.00 0.00 H new ATOM 0 HB3 LYS A 112 20.709 -58.042 -1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 112 21.527 -60.055 -0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 112 22.409 -59.019 0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 112 20.262 -57.912 1.347 1.00 0.00 H new ATOM 0 HD3 LYS A 112 19.377 -58.938 0.236 1.00 0.00 H new ATOM 0 HE2 LYS A 112 20.206 -60.972 1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 112 21.082 -59.943 2.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 18.923 -60.570 3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 18.980 -58.892 3.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 18.131 -59.890 2.133 1.00 0.00 H new ATOM 702 N ALA A 113 22.115 -59.586 -3.673 1.00 0.00 N ATOM 703 CA ALA A 113 22.023 -60.838 -4.416 1.00 0.00 C ATOM 704 C ALA A 113 23.399 -61.272 -4.909 1.00 0.00 C ATOM 705 O ALA A 113 23.742 -62.453 -4.865 1.00 0.00 O ATOM 706 CB ALA A 113 21.082 -60.663 -5.609 1.00 0.00 C ATOM 0 H ALA A 113 21.575 -58.816 -4.067 1.00 0.00 H new ATOM 0 HA ALA A 113 21.631 -61.608 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 113 21.016 -61.601 -6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 113 20.091 -60.382 -5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 113 21.467 -59.882 -6.265 1.00 0.00 H new ATOM 712 N ILE A 114 24.185 -60.310 -5.376 1.00 0.00 N ATOM 713 CA ILE A 114 25.522 -60.611 -5.869 1.00 0.00 C ATOM 714 C ILE A 114 26.388 -61.174 -4.745 1.00 0.00 C ATOM 715 O ILE A 114 27.113 -62.149 -4.934 1.00 0.00 O ATOM 716 CB ILE A 114 26.166 -59.340 -6.435 1.00 0.00 C ATOM 717 CG1 ILE A 114 25.417 -58.914 -7.700 1.00 0.00 C ATOM 718 CG2 ILE A 114 27.630 -59.618 -6.787 1.00 0.00 C ATOM 719 CD1 ILE A 114 25.867 -57.511 -8.112 1.00 0.00 C ATOM 0 H ILE A 114 23.923 -59.325 -5.424 1.00 0.00 H new ATOM 0 HA ILE A 114 25.444 -61.358 -6.659 1.00 0.00 H new ATOM 0 HB ILE A 114 26.115 -58.546 -5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 114 25.612 -59.621 -8.506 1.00 0.00 H new ATOM 0 HG13 ILE A 114 24.342 -58.924 -7.520 1.00 0.00 H new ATOM 0 HG21 ILE A 114 28.086 -58.713 -7.189 1.00 0.00 H new ATOM 0 HG22 ILE A 114 28.167 -59.927 -5.891 1.00 0.00 H new ATOM 0 HG23 ILE A 114 27.681 -60.412 -7.532 1.00 0.00 H new ATOM 0 HD11 ILE A 114 25.334 -57.208 -9.013 1.00 0.00 H new ATOM 0 HD12 ILE A 114 25.650 -56.808 -7.308 1.00 0.00 H new ATOM 0 HD13 ILE A 114 26.939 -57.516 -8.309 1.00 0.00 H new ATOM 731 N ALA A 115 26.310 -60.554 -3.576 1.00 0.00 N ATOM 732 CA ALA A 115 27.101 -61.005 -2.439 1.00 0.00 C ATOM 733 C ALA A 115 26.730 -62.434 -2.063 1.00 0.00 C ATOM 734 O ALA A 115 27.595 -63.248 -1.738 1.00 0.00 O ATOM 735 CB ALA A 115 26.863 -60.081 -1.245 1.00 0.00 C ATOM 0 H ALA A 115 25.715 -59.747 -3.390 1.00 0.00 H new ATOM 0 HA ALA A 115 28.155 -60.978 -2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 115 27.457 -60.422 -0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 115 27.156 -59.064 -1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 115 25.806 -60.096 -0.978 1.00 0.00 H new ATOM 741 N GLU A 116 25.440 -62.738 -2.115 1.00 0.00 N ATOM 742 CA GLU A 116 24.968 -64.075 -1.782 1.00 0.00 C ATOM 743 C GLU A 116 25.520 -65.103 -2.767 1.00 0.00 C ATOM 744 O GLU A 116 25.871 -66.217 -2.382 1.00 0.00 O ATOM 745 CB GLU A 116 23.441 -64.115 -1.804 1.00 0.00 C ATOM 746 CG GLU A 116 22.890 -63.268 -0.656 1.00 0.00 C ATOM 747 CD GLU A 116 23.190 -63.940 0.679 1.00 0.00 C ATOM 748 OE1 GLU A 116 23.538 -65.109 0.668 1.00 0.00 O ATOM 749 OE2 GLU A 116 23.065 -63.275 1.695 1.00 0.00 O ATOM 0 H GLU A 116 24.706 -62.082 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 116 25.322 -64.321 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 116 23.071 -63.738 -2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 116 23.093 -65.144 -1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 116 23.336 -62.274 -0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 116 21.814 -63.138 -0.773 1.00 0.00 H new ATOM 756 N SER A 117 25.587 -64.727 -4.039 1.00 0.00 N ATOM 757 CA SER A 117 26.086 -65.638 -5.060 1.00 0.00 C ATOM 758 C SER A 117 27.550 -65.987 -4.800 1.00 0.00 C ATOM 759 O SER A 117 27.967 -67.128 -4.997 1.00 0.00 O ATOM 760 CB SER A 117 25.955 -64.993 -6.440 1.00 0.00 C ATOM 761 OG SER A 117 26.820 -63.869 -6.516 1.00 0.00 O ATOM 0 H SER A 117 25.306 -63.809 -4.384 1.00 0.00 H new ATOM 0 HA SER A 117 25.494 -66.552 -5.025 1.00 0.00 H new ATOM 0 HB2 SER A 117 26.208 -65.714 -7.217 1.00 0.00 H new ATOM 0 HB3 SER A 117 24.924 -64.685 -6.614 1.00 0.00 H new ATOM 0 HG SER A 117 26.622 -63.253 -5.780 1.00 0.00 H new ATOM 767 N LEU A 118 28.321 -65.001 -4.350 1.00 0.00 N ATOM 768 CA LEU A 118 29.735 -65.226 -4.059 1.00 0.00 C ATOM 769 C LEU A 118 29.885 -66.084 -2.801 1.00 0.00 C ATOM 770 O LEU A 118 30.801 -66.900 -2.694 1.00 0.00 O ATOM 771 CB LEU A 118 30.451 -63.868 -3.876 1.00 0.00 C ATOM 772 CG LEU A 118 31.041 -63.386 -5.210 1.00 0.00 C ATOM 773 CD1 LEU A 118 29.919 -63.162 -6.224 1.00 0.00 C ATOM 774 CD2 LEU A 118 31.791 -62.071 -4.981 1.00 0.00 C ATOM 0 H LEU A 118 27.996 -64.049 -4.180 1.00 0.00 H new ATOM 0 HA LEU A 118 30.193 -65.757 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 118 29.748 -63.128 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 118 31.244 -63.966 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 118 31.726 -64.140 -5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 118 30.344 -62.820 -7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 118 29.382 -64.097 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 118 29.229 -62.409 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 118 32.212 -61.723 -5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 118 31.101 -61.321 -4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 118 32.594 -62.231 -4.262 1.00 0.00 H new ATOM 786 N ASN A 119 28.976 -65.900 -1.855 1.00 0.00 N ATOM 787 CA ASN A 119 29.019 -66.666 -0.618 1.00 0.00 C ATOM 788 C ASN A 119 28.714 -68.136 -0.887 1.00 0.00 C ATOM 789 O ASN A 119 29.140 -69.016 -0.138 1.00 0.00 O ATOM 790 CB ASN A 119 28.009 -66.103 0.378 1.00 0.00 C ATOM 791 CG ASN A 119 28.202 -66.758 1.741 1.00 0.00 C ATOM 792 OD1 ASN A 119 28.874 -67.783 1.848 1.00 0.00 O ATOM 793 ND2 ASN A 119 27.651 -66.225 2.794 1.00 0.00 N ATOM 0 H ASN A 119 28.206 -65.234 -1.918 1.00 0.00 H new ATOM 0 HA ASN A 119 30.022 -66.589 -0.198 1.00 0.00 H new ATOM 0 HB2 ASN A 119 28.133 -65.023 0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 119 26.995 -66.281 0.020 1.00 0.00 H new ATOM 0 HD21 ASN A 119 27.776 -66.657 3.709 1.00 0.00 H new ATOM 0 HD22 ASN A 119 27.094 -65.375 2.703 1.00 0.00 H new ATOM 800 N SER A 120 27.973 -68.393 -1.956 1.00 0.00 N ATOM 801 CA SER A 120 27.610 -69.759 -2.310 1.00 0.00 C ATOM 802 C SER A 120 28.796 -70.488 -2.928 1.00 0.00 C ATOM 803 O SER A 120 28.749 -71.699 -3.133 1.00 0.00 O ATOM 804 CB SER A 120 26.442 -69.754 -3.295 1.00 0.00 C ATOM 805 OG SER A 120 25.998 -71.090 -3.498 1.00 0.00 O ATOM 0 H SER A 120 27.613 -67.679 -2.590 1.00 0.00 H new ATOM 0 HA SER A 120 27.313 -70.280 -1.400 1.00 0.00 H new ATOM 0 HB2 SER A 120 25.627 -69.142 -2.909 1.00 0.00 H new ATOM 0 HB3 SER A 120 26.751 -69.313 -4.242 1.00 0.00 H new ATOM 0 HG SER A 120 26.762 -71.701 -3.442 1.00 0.00 H new ATOM 811 N CYS A 121 29.858 -69.741 -3.223 1.00 0.00 N ATOM 812 CA CYS A 121 31.055 -70.327 -3.816 1.00 0.00 C ATOM 813 C CYS A 121 30.765 -70.836 -5.220 1.00 0.00 C ATOM 814 O CYS A 121 30.466 -72.014 -5.414 1.00 0.00 O ATOM 815 CB CYS A 121 31.571 -71.480 -2.951 1.00 0.00 C ATOM 816 SG CYS A 121 31.472 -71.015 -1.205 1.00 0.00 S ATOM 0 H CYS A 121 29.913 -68.735 -3.062 1.00 0.00 H new ATOM 0 HA CYS A 121 31.818 -69.551 -3.871 1.00 0.00 H new ATOM 0 HB2 CYS A 121 30.981 -72.378 -3.133 1.00 0.00 H new ATOM 0 HB3 CYS A 121 32.601 -71.716 -3.218 1.00 0.00 H new ATOM 0 HG CYS A 121 30.417 -70.281 -1.011 1.00 0.00 H new ATOM 822 N ARG A 122 30.854 -69.939 -6.201 1.00 0.00 N ATOM 823 CA ARG A 122 30.601 -70.307 -7.595 1.00 0.00 C ATOM 824 C ARG A 122 31.748 -69.824 -8.479 1.00 0.00 C ATOM 825 O ARG A 122 31.649 -68.778 -9.123 1.00 0.00 O ATOM 826 CB ARG A 122 29.290 -69.671 -8.076 1.00 0.00 C ATOM 827 CG ARG A 122 28.866 -70.265 -9.428 1.00 0.00 C ATOM 828 CD ARG A 122 28.130 -71.599 -9.226 1.00 0.00 C ATOM 829 NE ARG A 122 27.663 -72.113 -10.510 1.00 0.00 N ATOM 830 CZ ARG A 122 28.467 -72.805 -11.309 1.00 0.00 C ATOM 831 NH1 ARG A 122 29.704 -73.029 -10.955 1.00 0.00 N ATOM 832 NH2 ARG A 122 28.019 -73.257 -12.446 1.00 0.00 N ATOM 0 H ARG A 122 31.098 -68.959 -6.059 1.00 0.00 H new ATOM 0 HA ARG A 122 30.524 -71.392 -7.661 1.00 0.00 H new ATOM 0 HB2 ARG A 122 28.506 -69.838 -7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 122 29.416 -68.592 -8.170 1.00 0.00 H new ATOM 0 HG2 ARG A 122 28.219 -69.562 -9.953 1.00 0.00 H new ATOM 0 HG3 ARG A 122 29.744 -70.419 -10.055 1.00 0.00 H new ATOM 0 HD2 ARG A 122 28.795 -72.323 -8.756 1.00 0.00 H new ATOM 0 HD3 ARG A 122 27.285 -71.459 -8.552 1.00 0.00 H new ATOM 0 HE ARG A 122 26.701 -71.937 -10.799 1.00 0.00 H new ATOM 0 HH11 ARG A 122 30.052 -72.673 -10.065 1.00 0.00 H new ATOM 0 HH12 ARG A 122 30.322 -73.560 -11.568 1.00 0.00 H new ATOM 0 HH21 ARG A 122 27.053 -73.079 -12.721 1.00 0.00 H new ATOM 0 HH22 ARG A 122 28.634 -73.789 -13.062 1.00 0.00 H new ATOM 846 N PRO A 123 32.825 -70.566 -8.525 1.00 0.00 N ATOM 847 CA PRO A 123 34.015 -70.212 -9.357 1.00 0.00 C ATOM 848 C PRO A 123 33.647 -70.028 -10.832 1.00 0.00 C ATOM 849 O PRO A 123 32.807 -70.751 -11.369 1.00 0.00 O ATOM 850 CB PRO A 123 34.958 -71.418 -9.172 1.00 0.00 C ATOM 851 CG PRO A 123 34.541 -72.046 -7.882 1.00 0.00 C ATOM 852 CD PRO A 123 33.033 -71.819 -7.778 1.00 0.00 C ATOM 0 HA PRO A 123 34.463 -69.265 -9.055 1.00 0.00 H new ATOM 0 HB2 PRO A 123 34.866 -72.121 -10.000 1.00 0.00 H new ATOM 0 HB3 PRO A 123 36.000 -71.101 -9.137 1.00 0.00 H new ATOM 0 HG2 PRO A 123 34.778 -73.110 -7.870 1.00 0.00 H new ATOM 0 HG3 PRO A 123 35.064 -71.593 -7.039 1.00 0.00 H new ATOM 0 HD2 PRO A 123 32.471 -72.645 -8.214 1.00 0.00 H new ATOM 0 HD3 PRO A 123 32.711 -71.727 -6.741 1.00 0.00 H new ATOM 860 N SER A 124 34.287 -69.060 -11.476 1.00 0.00 N ATOM 861 CA SER A 124 34.033 -68.788 -12.886 1.00 0.00 C ATOM 862 C SER A 124 34.433 -69.987 -13.739 1.00 0.00 C ATOM 863 O SER A 124 35.360 -70.722 -13.396 1.00 0.00 O ATOM 864 CB SER A 124 34.817 -67.554 -13.332 1.00 0.00 C ATOM 865 OG SER A 124 34.615 -67.351 -14.724 1.00 0.00 O ATOM 0 H SER A 124 34.984 -68.452 -11.046 1.00 0.00 H new ATOM 0 HA SER A 124 32.967 -68.602 -13.016 1.00 0.00 H new ATOM 0 HB2 SER A 124 34.489 -66.678 -12.773 1.00 0.00 H new ATOM 0 HB3 SER A 124 35.878 -67.687 -13.122 1.00 0.00 H new ATOM 0 HG SER A 124 35.114 -66.560 -15.015 1.00 0.00 H new ATOM 871 N ASP A 125 33.728 -70.180 -14.848 1.00 0.00 N ATOM 872 CA ASP A 125 34.017 -71.296 -15.741 1.00 0.00 C ATOM 873 C ASP A 125 35.463 -71.237 -16.221 1.00 0.00 C ATOM 874 O ASP A 125 36.015 -70.158 -16.432 1.00 0.00 O ATOM 875 CB ASP A 125 33.080 -71.247 -16.948 1.00 0.00 C ATOM 876 CG ASP A 125 31.660 -71.610 -16.526 1.00 0.00 C ATOM 877 OD1 ASP A 125 31.510 -72.212 -15.476 1.00 0.00 O ATOM 878 OD2 ASP A 125 30.742 -71.273 -17.256 1.00 0.00 O ATOM 0 H ASP A 125 32.958 -69.583 -15.149 1.00 0.00 H new ATOM 0 HA ASP A 125 33.864 -72.226 -15.194 1.00 0.00 H new ATOM 0 HB2 ASP A 125 33.093 -70.250 -17.388 1.00 0.00 H new ATOM 0 HB3 ASP A 125 33.427 -71.938 -17.716 1.00 0.00 H new ATOM 883 N ALA A 126 36.070 -72.407 -16.389 1.00 0.00 N ATOM 884 CA ALA A 126 37.455 -72.484 -16.840 1.00 0.00 C ATOM 885 C ALA A 126 37.610 -71.839 -18.212 1.00 0.00 C ATOM 886 O ALA A 126 38.653 -71.264 -18.522 1.00 0.00 O ATOM 887 CB ALA A 126 37.903 -73.945 -16.905 1.00 0.00 C ATOM 0 H ALA A 126 35.628 -73.311 -16.221 1.00 0.00 H new ATOM 0 HA ALA A 126 38.079 -71.945 -16.127 1.00 0.00 H new ATOM 0 HB1 ALA A 126 38.938 -73.993 -17.243 1.00 0.00 H new ATOM 0 HB2 ALA A 126 37.823 -74.395 -15.915 1.00 0.00 H new ATOM 0 HB3 ALA A 126 37.268 -74.490 -17.603 1.00 0.00 H new ATOM 893 N SER A 127 36.570 -71.942 -19.031 1.00 0.00 N ATOM 894 CA SER A 127 36.609 -71.366 -20.371 1.00 0.00 C ATOM 895 C SER A 127 36.521 -69.845 -20.309 1.00 0.00 C ATOM 896 O SER A 127 36.872 -69.156 -21.266 1.00 0.00 O ATOM 897 CB SER A 127 35.447 -71.911 -21.200 1.00 0.00 C ATOM 898 OG SER A 127 34.221 -71.470 -20.633 1.00 0.00 O ATOM 0 H SER A 127 35.697 -72.414 -18.795 1.00 0.00 H new ATOM 0 HA SER A 127 37.555 -71.641 -20.837 1.00 0.00 H new ATOM 0 HB2 SER A 127 35.528 -71.568 -22.232 1.00 0.00 H new ATOM 0 HB3 SER A 127 35.480 -73.000 -21.222 1.00 0.00 H new ATOM 0 HG SER A 127 33.492 -72.047 -20.941 1.00 0.00 H new ATOM 904 N ALA A 128 36.058 -69.325 -19.176 1.00 0.00 N ATOM 905 CA ALA A 128 35.935 -67.883 -18.994 1.00 0.00 C ATOM 906 C ALA A 128 34.696 -67.359 -19.716 1.00 0.00 C ATOM 907 O ALA A 128 34.522 -66.151 -19.878 1.00 0.00 O ATOM 908 CB ALA A 128 37.197 -67.174 -19.518 1.00 0.00 C ATOM 0 H ALA A 128 35.763 -69.879 -18.372 1.00 0.00 H new ATOM 0 HA ALA A 128 35.830 -67.673 -17.930 1.00 0.00 H new ATOM 0 HB1 ALA A 128 37.095 -66.098 -19.377 1.00 0.00 H new ATOM 0 HB2 ALA A 128 38.069 -67.530 -18.969 1.00 0.00 H new ATOM 0 HB3 ALA A 128 37.322 -67.391 -20.579 1.00 0.00 H new ATOM 914 N THR A 129 33.837 -68.275 -20.149 1.00 0.00 N ATOM 915 CA THR A 129 32.622 -67.891 -20.854 1.00 0.00 C ATOM 916 C THR A 129 31.575 -67.369 -19.878 1.00 0.00 C ATOM 917 O THR A 129 31.626 -67.657 -18.682 1.00 0.00 O ATOM 918 CB THR A 129 32.062 -69.092 -21.619 1.00 0.00 C ATOM 919 OG1 THR A 129 31.735 -70.125 -20.700 1.00 0.00 O ATOM 920 CG2 THR A 129 33.109 -69.601 -22.614 1.00 0.00 C ATOM 0 H THR A 129 33.958 -69.280 -20.025 1.00 0.00 H new ATOM 0 HA THR A 129 32.868 -67.096 -21.558 1.00 0.00 H new ATOM 0 HB THR A 129 31.166 -68.792 -22.162 1.00 0.00 H new ATOM 0 HG1 THR A 129 32.551 -70.602 -20.441 1.00 0.00 H new ATOM 0 HG21 THR A 129 32.708 -70.456 -23.158 1.00 0.00 H new ATOM 0 HG22 THR A 129 33.358 -68.807 -23.318 1.00 0.00 H new ATOM 0 HG23 THR A 129 34.007 -69.902 -22.075 1.00 0.00 H new ATOM 928 N ARG A 130 30.625 -66.599 -20.397 1.00 0.00 N ATOM 929 CA ARG A 130 29.571 -66.043 -19.561 1.00 0.00 C ATOM 930 C ARG A 130 28.543 -67.116 -19.217 1.00 0.00 C ATOM 931 O ARG A 130 28.181 -67.937 -20.060 1.00 0.00 O ATOM 932 CB ARG A 130 28.885 -64.886 -20.291 1.00 0.00 C ATOM 933 CG ARG A 130 28.299 -65.390 -21.612 1.00 0.00 C ATOM 934 CD ARG A 130 27.724 -64.211 -22.396 1.00 0.00 C ATOM 935 NE ARG A 130 28.785 -63.272 -22.747 1.00 0.00 N ATOM 936 CZ ARG A 130 28.503 -62.052 -23.188 1.00 0.00 C ATOM 937 NH1 ARG A 130 27.260 -61.672 -23.308 1.00 0.00 N ATOM 938 NH2 ARG A 130 29.469 -61.230 -23.498 1.00 0.00 N ATOM 0 H ARG A 130 30.564 -66.348 -21.384 1.00 0.00 H new ATOM 0 HA ARG A 130 30.017 -65.674 -18.637 1.00 0.00 H new ATOM 0 HB2 ARG A 130 28.096 -64.466 -19.668 1.00 0.00 H new ATOM 0 HB3 ARG A 130 29.601 -64.086 -20.480 1.00 0.00 H new ATOM 0 HG2 ARG A 130 29.071 -65.889 -22.198 1.00 0.00 H new ATOM 0 HG3 ARG A 130 27.520 -66.127 -21.419 1.00 0.00 H new ATOM 0 HD2 ARG A 130 27.234 -64.571 -23.300 1.00 0.00 H new ATOM 0 HD3 ARG A 130 26.964 -63.706 -21.801 1.00 0.00 H new ATOM 0 HE ARG A 130 29.759 -63.558 -22.652 1.00 0.00 H new ATOM 0 HH11 ARG A 130 26.505 -62.313 -23.063 1.00 0.00 H new ATOM 0 HH12 ARG A 130 27.044 -60.735 -23.647 1.00 0.00 H new ATOM 0 HH21 ARG A 130 30.441 -61.525 -23.401 1.00 0.00 H new ATOM 0 HH22 ARG A 130 29.252 -60.293 -23.837 1.00 0.00 H new ATOM 952 N SER A 131 28.079 -67.104 -17.969 1.00 0.00 N ATOM 953 CA SER A 131 27.094 -68.083 -17.515 1.00 0.00 C ATOM 954 C SER A 131 26.284 -67.525 -16.350 1.00 0.00 C ATOM 955 O SER A 131 26.126 -68.234 -15.370 1.00 0.00 O ATOM 956 CB SER A 131 27.800 -69.368 -17.079 1.00 0.00 C ATOM 957 OG SER A 131 28.563 -69.111 -15.908 1.00 0.00 O ATOM 958 OXT SER A 131 25.833 -66.396 -16.454 1.00 0.00 O ATOM 0 H SER A 131 28.367 -66.432 -17.258 1.00 0.00 H new ATOM 0 HA SER A 131 26.418 -68.302 -18.341 1.00 0.00 H new ATOM 0 HB2 SER A 131 27.067 -70.151 -16.885 1.00 0.00 H new ATOM 0 HB3 SER A 131 28.448 -69.729 -17.877 1.00 0.00 H new ATOM 0 HG SER A 131 27.960 -68.993 -15.144 1.00 0.00 H new TER 964 SER A 131