USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 884 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 78 LYS NZ :NH3+ 176:sc= 0.646 (180deg=0.573) USER MOD Set 1.2: A 86 THR OG1 : rot 80:sc= 0.00975 USER MOD Set 2.1: A 71 ASN : amide:sc= -10.7! C(o=-13!,f=-15!) USER MOD Set 2.2: A 90 SER OG : rot 100:sc= -2.32 USER MOD Single : A 8 THR OG1 : rot 15:sc= -0.502! USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.92 K(o=-0.92,f=-0.26) USER MOD Single : A 21 SER OG : rot -7:sc= -2.11! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 53:sc= 0.543 USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 1.14 (180deg=0.922) USER MOD Single : A 33 ASN : amide:sc= -2.37 K(o=-2.4,f=-3!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= 0.157 (180deg=0.116) USER MOD Single : A 38 ASN : amide:sc= -3.24! C(o=-3.2!,f=-6.8!) USER MOD Single : A 39 HIS : no HE2:sc= -0.462 K(o=-0.46,f=-1.5) USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0121) USER MOD Single : A 48 SER OG : rot 54:sc= 1.2 USER MOD Single : A 51 ASN : amide:sc= 0.746 K(o=0.75,f=-0.84) USER MOD Single : A 56 SER OG : rot -125:sc= -1 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.26! C(o=-2.3!,f=-2.6!) USER MOD Single : A 66 GLN : amide:sc= -1.95 K(o=-2,f=-1.4) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.37 K(o=-2.4,f=-11!) USER MOD Single : A 81 GLN : amide:sc= -5.27! K(o=-5.3!,f=-0.69) USER MOD Single : A 84 MET CE :methyl -149:sc= -4.12! (180deg=-7.08!) USER MOD Single : A 91 MET CE :methyl -159:sc= -7.67! (180deg=-8.61!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -2.17! K(o=-2.2!,f=-0.97) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -170:sc= -2.25! (180deg=-2.79!) USER MOD Single : A 102 GLN : amide:sc= -2.57 K(o=-2.6,f=-3.8!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : B 6 GLN : amide:sc= -3.62 K(o=-3.6,f=-4.8!) USER MOD Single : B 7 HIS : no HD1:sc= -0.312 X(o=-0.31,f=0) USER MOD Single : B 8 SER OG : rot 171:sc= -0.54 USER MOD Single : B 9 GLN : amide:sc= -4.2 K(o=-4.2,f=-2.5) USER MOD Single : B 11 THR OG1 : rot 103:sc= 1.34 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -9.730 -10.925 -6.304 1.00 0.00 N ATOM 2 CA GLY A 7 -8.499 -10.612 -5.601 1.00 0.00 C ATOM 3 C GLY A 7 -8.343 -9.127 -5.338 1.00 0.00 C ATOM 4 O GLY A 7 -7.732 -8.727 -4.348 1.00 0.00 O ATOM 0 HA2 GLY A 7 -8.479 -11.150 -4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.650 -10.965 -6.186 1.00 0.00 H new ATOM 8 N THR A 8 -8.897 -8.309 -6.229 1.00 0.00 N ATOM 9 CA THR A 8 -8.821 -6.857 -6.097 1.00 0.00 C ATOM 10 C THR A 8 -7.382 -6.397 -5.888 1.00 0.00 C ATOM 11 O THR A 8 -6.879 -6.380 -4.767 1.00 0.00 O ATOM 12 CB THR A 8 -9.701 -6.375 -4.941 1.00 0.00 C ATOM 13 OG1 THR A 8 -9.243 -6.893 -3.703 1.00 0.00 O ATOM 14 CG2 THR A 8 -11.157 -6.764 -5.094 1.00 0.00 C ATOM 0 H THR A 8 -9.405 -8.629 -7.053 1.00 0.00 H new ATOM 0 HA THR A 8 -9.188 -6.419 -7.025 1.00 0.00 H new ATOM 0 HB THR A 8 -9.628 -5.288 -4.961 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.335 -7.245 -3.812 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.725 -6.392 -4.241 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.555 -6.331 -6.012 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.241 -7.850 -5.139 1.00 0.00 H new ATOM 22 N ARG A 9 -6.729 -6.024 -6.981 1.00 0.00 N ATOM 23 CA ARG A 9 -5.348 -5.557 -6.932 1.00 0.00 C ATOM 24 C ARG A 9 -5.058 -4.617 -8.097 1.00 0.00 C ATOM 25 O ARG A 9 -5.456 -4.880 -9.231 1.00 0.00 O ATOM 26 CB ARG A 9 -4.382 -6.744 -6.967 1.00 0.00 C ATOM 27 CG ARG A 9 -4.282 -7.485 -5.644 1.00 0.00 C ATOM 28 CD ARG A 9 -3.274 -8.621 -5.714 1.00 0.00 C ATOM 29 NE ARG A 9 -2.107 -8.370 -4.871 1.00 0.00 N ATOM 30 CZ ARG A 9 -2.130 -8.423 -3.541 1.00 0.00 C ATOM 31 NH1 ARG A 9 -3.254 -8.717 -2.900 1.00 0.00 N ATOM 32 NH2 ARG A 9 -1.023 -8.181 -2.849 1.00 0.00 N ATOM 0 H ARG A 9 -7.135 -6.036 -7.917 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.205 -5.012 -5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.704 -7.441 -7.741 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.392 -6.388 -7.250 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.992 -6.789 -4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.260 -7.882 -5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.752 -9.550 -5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.953 -8.758 -6.747 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.224 -8.141 -5.328 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.107 -8.904 -3.426 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.265 -8.756 -1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.156 -7.955 -3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.040 -8.221 -1.830 1.00 0.00 H new ATOM 46 N GLU A 10 -4.369 -3.516 -7.812 1.00 0.00 N ATOM 47 CA GLU A 10 -4.040 -2.541 -8.844 1.00 0.00 C ATOM 48 C GLU A 10 -2.826 -1.705 -8.455 1.00 0.00 C ATOM 49 O GLU A 10 -2.554 -1.497 -7.273 1.00 0.00 O ATOM 50 CB GLU A 10 -5.238 -1.625 -9.102 1.00 0.00 C ATOM 51 CG GLU A 10 -5.816 -1.012 -7.836 1.00 0.00 C ATOM 52 CD GLU A 10 -6.789 0.116 -8.121 1.00 0.00 C ATOM 53 OE1 GLU A 10 -7.273 0.206 -9.269 1.00 0.00 O ATOM 54 OE2 GLU A 10 -7.067 0.908 -7.196 1.00 0.00 O ATOM 0 H GLU A 10 -4.030 -3.278 -6.880 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.797 -3.089 -9.754 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.935 -0.825 -9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.017 -2.193 -9.610 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.323 -1.787 -7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.002 -0.636 -7.216 1.00 0.00 H new ATOM 61 N PHE A 11 -2.106 -1.219 -9.462 1.00 0.00 N ATOM 62 CA PHE A 11 -0.925 -0.394 -9.234 1.00 0.00 C ATOM 63 C PHE A 11 -1.295 1.085 -9.289 1.00 0.00 C ATOM 64 O PHE A 11 -2.157 1.488 -10.068 1.00 0.00 O ATOM 65 CB PHE A 11 0.153 -0.703 -10.276 1.00 0.00 C ATOM 66 CG PHE A 11 0.330 -2.171 -10.542 1.00 0.00 C ATOM 67 CD1 PHE A 11 0.850 -3.008 -9.567 1.00 0.00 C ATOM 68 CD2 PHE A 11 -0.026 -2.713 -11.766 1.00 0.00 C ATOM 69 CE1 PHE A 11 1.013 -4.359 -9.810 1.00 0.00 C ATOM 70 CE2 PHE A 11 0.135 -4.065 -12.014 1.00 0.00 C ATOM 71 CZ PHE A 11 0.654 -4.888 -11.034 1.00 0.00 C ATOM 0 H PHE A 11 -2.321 -1.383 -10.446 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.530 -0.623 -8.244 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.102 -0.201 -11.210 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.102 -0.286 -9.939 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.131 -2.600 -8.607 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.434 -2.074 -12.535 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.421 -5.001 -9.043 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.145 -4.476 -12.973 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.779 -5.944 -11.225 1.00 0.00 H new ATOM 81 N LEU A 12 -0.650 1.891 -8.451 1.00 0.00 N ATOM 82 CA LEU A 12 -0.932 3.321 -8.410 1.00 0.00 C ATOM 83 C LEU A 12 0.351 4.146 -8.381 1.00 0.00 C ATOM 84 O LEU A 12 1.221 3.934 -7.536 1.00 0.00 O ATOM 85 CB LEU A 12 -1.790 3.670 -7.188 1.00 0.00 C ATOM 86 CG LEU A 12 -2.745 2.571 -6.715 1.00 0.00 C ATOM 87 CD1 LEU A 12 -2.712 2.449 -5.199 1.00 0.00 C ATOM 88 CD2 LEU A 12 -4.163 2.850 -7.197 1.00 0.00 C ATOM 0 H LEU A 12 0.067 1.580 -7.795 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.480 3.566 -9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.127 3.930 -6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.375 4.560 -7.419 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.416 1.624 -7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.397 1.663 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.701 2.201 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.014 3.396 -4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.827 2.058 -6.851 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.501 3.807 -6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.177 2.885 -8.286 1.00 0.00 H new ATOM 100 N THR A 13 0.447 5.103 -9.297 1.00 0.00 N ATOM 101 CA THR A 13 1.604 5.983 -9.372 1.00 0.00 C ATOM 102 C THR A 13 1.300 7.296 -8.657 1.00 0.00 C ATOM 103 O THR A 13 0.227 7.871 -8.838 1.00 0.00 O ATOM 104 CB THR A 13 1.976 6.249 -10.832 1.00 0.00 C ATOM 105 OG1 THR A 13 2.319 5.042 -11.489 1.00 0.00 O ATOM 106 CG2 THR A 13 3.137 7.204 -10.990 1.00 0.00 C ATOM 0 H THR A 13 -0.267 5.289 -10.001 1.00 0.00 H new ATOM 0 HA THR A 13 2.450 5.499 -8.883 1.00 0.00 H new ATOM 0 HB THR A 13 1.091 6.704 -11.277 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.552 5.232 -12.422 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.348 7.348 -12.050 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.884 8.162 -10.537 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.017 6.791 -10.498 1.00 0.00 H new ATOM 114 N PHE A 14 2.230 7.759 -7.831 1.00 0.00 N ATOM 115 CA PHE A 14 2.025 8.994 -7.085 1.00 0.00 C ATOM 116 C PHE A 14 3.291 9.839 -7.001 1.00 0.00 C ATOM 117 O PHE A 14 4.402 9.319 -6.950 1.00 0.00 O ATOM 118 CB PHE A 14 1.520 8.675 -5.677 1.00 0.00 C ATOM 119 CG PHE A 14 0.129 8.108 -5.657 1.00 0.00 C ATOM 120 CD1 PHE A 14 -0.876 8.679 -6.423 1.00 0.00 C ATOM 121 CD2 PHE A 14 -0.174 7.004 -4.876 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.157 8.160 -6.409 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.454 6.481 -4.858 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.446 7.059 -5.626 1.00 0.00 C ATOM 0 H PHE A 14 3.126 7.302 -7.662 1.00 0.00 H new ATOM 0 HA PHE A 14 1.279 9.578 -7.625 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.201 7.965 -5.207 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.543 9.584 -5.076 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.655 9.539 -7.038 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.598 6.547 -4.275 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.931 8.615 -7.009 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.678 5.621 -4.244 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.446 6.651 -5.614 1.00 0.00 H new ATOM 134 N GLU A 15 3.098 11.151 -6.963 1.00 0.00 N ATOM 135 CA GLU A 15 4.200 12.099 -6.855 1.00 0.00 C ATOM 136 C GLU A 15 4.130 12.785 -5.498 1.00 0.00 C ATOM 137 O GLU A 15 3.192 13.533 -5.219 1.00 0.00 O ATOM 138 CB GLU A 15 4.147 13.133 -7.985 1.00 0.00 C ATOM 139 CG GLU A 15 3.293 12.711 -9.172 1.00 0.00 C ATOM 140 CD GLU A 15 1.856 13.182 -9.054 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.037 12.451 -8.459 1.00 0.00 O ATOM 142 OE2 GLU A 15 1.551 14.285 -9.555 1.00 0.00 O ATOM 0 H GLU A 15 2.177 11.587 -7.006 1.00 0.00 H new ATOM 0 HA GLU A 15 5.145 11.563 -6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.760 14.071 -7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.162 13.329 -8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.728 13.110 -10.088 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.309 11.625 -9.259 1.00 0.00 H new ATOM 149 N VAL A 16 5.096 12.490 -4.641 1.00 0.00 N ATOM 150 CA VAL A 16 5.109 13.042 -3.293 1.00 0.00 C ATOM 151 C VAL A 16 6.115 14.179 -3.128 1.00 0.00 C ATOM 152 O VAL A 16 7.325 13.952 -3.143 1.00 0.00 O ATOM 153 CB VAL A 16 5.429 11.944 -2.264 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.242 12.460 -0.847 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.562 10.722 -2.515 1.00 0.00 C ATOM 0 H VAL A 16 5.880 11.873 -4.854 1.00 0.00 H new ATOM 0 HA VAL A 16 4.112 13.447 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 16 6.474 11.656 -2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.474 11.666 -0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.909 13.305 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.209 12.779 -0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.798 9.952 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.511 10.997 -2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.755 10.339 -3.517 1.00 0.00 H new ATOM 165 N PRO A 17 5.628 15.420 -2.940 1.00 0.00 N ATOM 166 CA PRO A 17 6.493 16.578 -2.740 1.00 0.00 C ATOM 167 C PRO A 17 6.970 16.661 -1.294 1.00 0.00 C ATOM 168 O PRO A 17 6.166 16.597 -0.368 1.00 0.00 O ATOM 169 CB PRO A 17 5.576 17.749 -3.075 1.00 0.00 C ATOM 170 CG PRO A 17 4.217 17.284 -2.675 1.00 0.00 C ATOM 171 CD PRO A 17 4.198 15.788 -2.880 1.00 0.00 C ATOM 0 HA PRO A 17 7.398 16.548 -3.347 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.865 18.648 -2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.616 17.993 -4.137 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.012 17.536 -1.635 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.448 17.768 -3.278 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.688 15.279 -2.062 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.677 15.517 -3.798 1.00 0.00 H new ATOM 179 N LEU A 18 8.280 16.783 -1.103 1.00 0.00 N ATOM 180 CA LEU A 18 8.847 16.846 0.241 1.00 0.00 C ATOM 181 C LEU A 18 9.727 18.071 0.428 1.00 0.00 C ATOM 182 O LEU A 18 10.672 18.050 1.216 1.00 0.00 O ATOM 183 CB LEU A 18 9.664 15.593 0.506 1.00 0.00 C ATOM 184 CG LEU A 18 10.688 15.302 -0.580 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.024 14.906 0.028 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.178 14.218 -1.516 1.00 0.00 C ATOM 0 H LEU A 18 8.966 16.840 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 18 8.020 16.916 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.178 15.698 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.990 14.741 0.598 1.00 0.00 H new ATOM 0 HG LEU A 18 10.839 16.212 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.740 14.703 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.395 15.719 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.896 14.011 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.923 14.023 -2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.994 13.305 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.250 14.548 -1.984 1.00 0.00 H new ATOM 198 N ASN A 19 9.407 19.133 -0.297 1.00 0.00 N ATOM 199 CA ASN A 19 10.158 20.392 -0.215 1.00 0.00 C ATOM 200 C ASN A 19 10.605 20.683 1.218 1.00 0.00 C ATOM 201 O ASN A 19 11.663 21.270 1.445 1.00 0.00 O ATOM 202 CB ASN A 19 9.308 21.559 -0.730 1.00 0.00 C ATOM 203 CG ASN A 19 7.814 21.295 -0.631 1.00 0.00 C ATOM 204 OD1 ASN A 19 7.125 21.182 -1.646 1.00 0.00 O ATOM 205 ND2 ASN A 19 7.305 21.197 0.593 1.00 0.00 N ATOM 0 H ASN A 19 8.628 19.154 -0.955 1.00 0.00 H new ATOM 0 HA ASN A 19 11.045 20.284 -0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.551 22.457 -0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.568 21.760 -1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.308 21.022 0.718 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.911 21.297 1.407 1.00 0.00 H new ATOM 212 N ASP A 20 9.792 20.257 2.178 1.00 0.00 N ATOM 213 CA ASP A 20 10.094 20.452 3.589 1.00 0.00 C ATOM 214 C ASP A 20 10.376 19.116 4.256 1.00 0.00 C ATOM 215 O ASP A 20 11.201 19.021 5.165 1.00 0.00 O ATOM 216 CB ASP A 20 8.928 21.143 4.299 1.00 0.00 C ATOM 217 CG ASP A 20 8.600 22.495 3.696 1.00 0.00 C ATOM 218 OD1 ASP A 20 9.514 23.341 3.605 1.00 0.00 O ATOM 219 OD2 ASP A 20 7.429 22.706 3.315 1.00 0.00 O ATOM 0 H ASP A 20 8.913 19.771 2.002 1.00 0.00 H new ATOM 0 HA ASP A 20 10.978 21.085 3.664 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.047 20.504 4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.172 21.269 5.354 1.00 0.00 H new ATOM 224 N SER A 21 9.680 18.085 3.793 1.00 0.00 N ATOM 225 CA SER A 21 9.846 16.746 4.330 1.00 0.00 C ATOM 226 C SER A 21 11.232 16.190 4.006 1.00 0.00 C ATOM 227 O SER A 21 11.642 15.171 4.559 1.00 0.00 O ATOM 228 CB SER A 21 8.764 15.821 3.773 1.00 0.00 C ATOM 229 OG SER A 21 9.096 14.461 3.983 1.00 0.00 O ATOM 0 H SER A 21 8.992 18.155 3.043 1.00 0.00 H new ATOM 0 HA SER A 21 9.749 16.800 5.414 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.810 16.043 4.251 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.637 16.007 2.706 1.00 0.00 H new ATOM 0 HG SER A 21 10.003 14.398 4.349 1.00 0.00 H new ATOM 235 N GLY A 22 11.955 16.867 3.110 1.00 0.00 N ATOM 236 CA GLY A 22 13.288 16.420 2.738 1.00 0.00 C ATOM 237 C GLY A 22 14.137 16.043 3.939 1.00 0.00 C ATOM 238 O GLY A 22 15.021 15.193 3.841 1.00 0.00 O ATOM 0 H GLY A 22 11.640 17.714 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.206 15.561 2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.789 17.210 2.178 1.00 0.00 H new ATOM 242 N SER A 23 13.861 16.673 5.076 1.00 0.00 N ATOM 243 CA SER A 23 14.601 16.394 6.301 1.00 0.00 C ATOM 244 C SER A 23 14.058 15.144 6.985 1.00 0.00 C ATOM 245 O SER A 23 14.813 14.357 7.554 1.00 0.00 O ATOM 246 CB SER A 23 14.519 17.589 7.255 1.00 0.00 C ATOM 247 OG SER A 23 15.491 17.493 8.280 1.00 0.00 O ATOM 0 H SER A 23 13.131 17.379 5.175 1.00 0.00 H new ATOM 0 HA SER A 23 15.644 16.221 6.038 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.665 18.514 6.697 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.524 17.637 7.697 1.00 0.00 H new ATOM 0 HG SER A 23 15.418 18.269 8.874 1.00 0.00 H new ATOM 253 N ALA A 24 12.741 14.967 6.920 1.00 0.00 N ATOM 254 CA ALA A 24 12.092 13.813 7.529 1.00 0.00 C ATOM 255 C ALA A 24 12.198 12.585 6.628 1.00 0.00 C ATOM 256 O ALA A 24 12.124 11.451 7.100 1.00 0.00 O ATOM 257 CB ALA A 24 10.632 14.130 7.822 1.00 0.00 C ATOM 0 H ALA A 24 12.103 15.610 6.451 1.00 0.00 H new ATOM 0 HA ALA A 24 12.602 13.588 8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.155 13.262 8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.574 14.976 8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.120 14.379 6.893 1.00 0.00 H new ATOM 263 N GLY A 25 12.359 12.823 5.330 1.00 0.00 N ATOM 264 CA GLY A 25 12.458 11.734 4.374 1.00 0.00 C ATOM 265 C GLY A 25 11.342 11.785 3.354 1.00 0.00 C ATOM 266 O GLY A 25 11.589 11.775 2.148 1.00 0.00 O ATOM 0 H GLY A 25 12.423 13.755 4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.420 11.783 3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.425 10.781 4.902 1.00 0.00 H new ATOM 270 N LEU A 26 10.112 11.857 3.848 1.00 0.00 N ATOM 271 CA LEU A 26 8.935 11.928 2.991 1.00 0.00 C ATOM 272 C LEU A 26 7.661 11.981 3.825 1.00 0.00 C ATOM 273 O LEU A 26 6.684 12.615 3.436 1.00 0.00 O ATOM 274 CB LEU A 26 8.886 10.739 2.028 1.00 0.00 C ATOM 275 CG LEU A 26 8.054 10.960 0.760 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.379 12.307 0.131 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.293 9.840 -0.237 1.00 0.00 C ATOM 0 H LEU A 26 9.903 11.868 4.846 1.00 0.00 H new ATOM 0 HA LEU A 26 9.005 12.844 2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.905 10.487 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.485 9.877 2.561 1.00 0.00 H new ATOM 0 HG LEU A 26 7.001 10.956 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.777 12.444 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.156 13.103 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.436 12.340 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.694 10.014 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.349 9.813 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.008 8.888 0.210 1.00 0.00 H new ATOM 289 N GLY A 27 7.675 11.320 4.978 1.00 0.00 N ATOM 290 CA GLY A 27 6.511 11.326 5.844 1.00 0.00 C ATOM 291 C GLY A 27 5.771 10.004 5.849 1.00 0.00 C ATOM 292 O GLY A 27 4.541 9.976 5.804 1.00 0.00 O ATOM 0 H GLY A 27 8.468 10.782 5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.822 11.566 6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.831 12.116 5.524 1.00 0.00 H new ATOM 296 N VAL A 28 6.514 8.903 5.909 1.00 0.00 N ATOM 297 CA VAL A 28 5.902 7.580 5.925 1.00 0.00 C ATOM 298 C VAL A 28 6.898 6.513 6.367 1.00 0.00 C ATOM 299 O VAL A 28 8.103 6.642 6.154 1.00 0.00 O ATOM 300 CB VAL A 28 5.308 7.207 4.539 1.00 0.00 C ATOM 301 CG1 VAL A 28 6.022 7.953 3.419 1.00 0.00 C ATOM 302 CG2 VAL A 28 5.358 5.704 4.294 1.00 0.00 C ATOM 0 H VAL A 28 7.533 8.901 5.947 1.00 0.00 H new ATOM 0 HA VAL A 28 5.088 7.618 6.648 1.00 0.00 H new ATOM 0 HB VAL A 28 4.261 7.511 4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.586 7.673 2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.911 9.027 3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.081 7.693 3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.934 5.481 3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.393 5.364 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.783 5.190 5.064 1.00 0.00 H new ATOM 312 N SER A 29 6.375 5.452 6.972 1.00 0.00 N ATOM 313 CA SER A 29 7.197 4.345 7.438 1.00 0.00 C ATOM 314 C SER A 29 6.912 3.101 6.607 1.00 0.00 C ATOM 315 O SER A 29 5.765 2.660 6.515 1.00 0.00 O ATOM 316 CB SER A 29 6.935 4.063 8.920 1.00 0.00 C ATOM 317 OG SER A 29 5.918 4.911 9.430 1.00 0.00 O ATOM 0 H SER A 29 5.378 5.337 7.151 1.00 0.00 H new ATOM 0 HA SER A 29 8.246 4.618 7.322 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.642 3.021 9.049 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.853 4.209 9.489 1.00 0.00 H new ATOM 0 HG SER A 29 5.123 4.848 8.860 1.00 0.00 H new ATOM 323 N VAL A 30 7.955 2.546 5.998 1.00 0.00 N ATOM 324 CA VAL A 30 7.811 1.357 5.165 1.00 0.00 C ATOM 325 C VAL A 30 8.495 0.149 5.793 1.00 0.00 C ATOM 326 O VAL A 30 9.573 0.265 6.375 1.00 0.00 O ATOM 327 CB VAL A 30 8.393 1.582 3.755 1.00 0.00 C ATOM 328 CG1 VAL A 30 7.375 2.273 2.860 1.00 0.00 C ATOM 329 CG2 VAL A 30 9.684 2.384 3.824 1.00 0.00 C ATOM 0 H VAL A 30 8.909 2.900 6.066 1.00 0.00 H new ATOM 0 HA VAL A 30 6.741 1.163 5.086 1.00 0.00 H new ATOM 0 HB VAL A 30 8.624 0.609 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.804 2.423 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.482 1.653 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.108 3.238 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.076 2.530 2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.486 3.354 4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.416 1.844 4.424 1.00 0.00 H new ATOM 339 N LYS A 31 7.860 -1.012 5.665 1.00 0.00 N ATOM 340 CA LYS A 31 8.407 -2.249 6.212 1.00 0.00 C ATOM 341 C LYS A 31 8.182 -3.409 5.248 1.00 0.00 C ATOM 342 O LYS A 31 7.070 -3.619 4.763 1.00 0.00 O ATOM 343 CB LYS A 31 7.766 -2.563 7.566 1.00 0.00 C ATOM 344 CG LYS A 31 6.248 -2.495 7.552 1.00 0.00 C ATOM 345 CD LYS A 31 5.624 -3.878 7.440 1.00 0.00 C ATOM 346 CE LYS A 31 6.024 -4.768 8.606 1.00 0.00 C ATOM 347 NZ LYS A 31 4.856 -5.488 9.183 1.00 0.00 N ATOM 0 H LYS A 31 6.966 -1.122 5.187 1.00 0.00 H new ATOM 0 HA LYS A 31 9.480 -2.115 6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.074 -3.560 7.881 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.146 -1.862 8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.897 -2.010 8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.919 -1.878 6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.538 -3.786 7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.933 -4.343 6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.767 -5.492 8.272 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.495 -4.162 9.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.185 -6.159 9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.205 -4.802 9.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.361 -6.006 8.430 1.00 0.00 H new ATOM 361 N GLY A 32 9.244 -4.157 4.970 1.00 0.00 N ATOM 362 CA GLY A 32 9.137 -5.281 4.062 1.00 0.00 C ATOM 363 C GLY A 32 8.946 -6.603 4.781 1.00 0.00 C ATOM 364 O GLY A 32 9.506 -6.821 5.855 1.00 0.00 O ATOM 0 H GLY A 32 10.175 -4.005 5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.299 -5.117 3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.036 -5.333 3.448 1.00 0.00 H new ATOM 368 N ASN A 33 8.153 -7.486 4.181 1.00 0.00 N ATOM 369 CA ASN A 33 7.889 -8.797 4.765 1.00 0.00 C ATOM 370 C ASN A 33 8.848 -9.839 4.201 1.00 0.00 C ATOM 371 O ASN A 33 9.739 -9.514 3.418 1.00 0.00 O ATOM 372 CB ASN A 33 6.444 -9.219 4.495 1.00 0.00 C ATOM 373 CG ASN A 33 5.483 -8.713 5.555 1.00 0.00 C ATOM 374 OD1 ASN A 33 4.645 -9.462 6.057 1.00 0.00 O ATOM 375 ND2 ASN A 33 5.602 -7.436 5.901 1.00 0.00 N ATOM 0 H ASN A 33 7.683 -7.318 3.292 1.00 0.00 H new ATOM 0 HA ASN A 33 8.042 -8.727 5.842 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.135 -8.843 3.520 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.389 -10.307 4.449 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.984 -7.040 6.609 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.311 -6.852 5.458 1.00 0.00 H new ATOM 382 N ARG A 34 8.658 -11.092 4.600 1.00 0.00 N ATOM 383 CA ARG A 34 9.507 -12.180 4.130 1.00 0.00 C ATOM 384 C ARG A 34 8.692 -13.452 3.913 1.00 0.00 C ATOM 385 O ARG A 34 7.700 -13.689 4.602 1.00 0.00 O ATOM 386 CB ARG A 34 10.635 -12.445 5.129 1.00 0.00 C ATOM 387 CG ARG A 34 11.924 -11.712 4.799 1.00 0.00 C ATOM 388 CD ARG A 34 12.993 -11.962 5.852 1.00 0.00 C ATOM 389 NE ARG A 34 14.338 -11.928 5.286 1.00 0.00 N ATOM 390 CZ ARG A 34 15.435 -12.273 5.958 1.00 0.00 C ATOM 391 NH1 ARG A 34 15.349 -12.678 7.220 1.00 0.00 N ATOM 392 NH2 ARG A 34 16.621 -12.212 5.369 1.00 0.00 N ATOM 0 H ARG A 34 7.924 -11.379 5.247 1.00 0.00 H new ATOM 0 HA ARG A 34 9.941 -11.882 3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.304 -12.150 6.125 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.834 -13.516 5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.289 -12.036 3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.727 -10.642 4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.911 -11.210 6.637 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.821 -12.931 6.320 1.00 0.00 H new ATOM 0 HE ARG A 34 14.444 -11.622 4.319 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.440 -12.726 7.679 1.00 0.00 H new ATOM 0 HH12 ARG A 34 16.192 -12.941 7.730 1.00 0.00 H new ATOM 0 HH21 ARG A 34 16.694 -11.901 4.400 1.00 0.00 H new ATOM 0 HH22 ARG A 34 17.461 -12.476 5.884 1.00 0.00 H new ATOM 406 N SER A 35 9.115 -14.263 2.950 1.00 0.00 N ATOM 407 CA SER A 35 8.423 -15.509 2.640 1.00 0.00 C ATOM 408 C SER A 35 8.539 -16.499 3.795 1.00 0.00 C ATOM 409 O SER A 35 9.608 -16.657 4.386 1.00 0.00 O ATOM 410 CB SER A 35 8.990 -16.128 1.363 1.00 0.00 C ATOM 411 OG SER A 35 8.132 -17.138 0.859 1.00 0.00 O ATOM 0 H SER A 35 9.934 -14.080 2.370 1.00 0.00 H new ATOM 0 HA SER A 35 7.368 -15.280 2.487 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.126 -15.353 0.609 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.974 -16.551 1.566 1.00 0.00 H new ATOM 0 HG SER A 35 8.517 -17.516 0.041 1.00 0.00 H new ATOM 417 N LYS A 36 7.432 -17.163 4.112 1.00 0.00 N ATOM 418 CA LYS A 36 7.410 -18.140 5.195 1.00 0.00 C ATOM 419 C LYS A 36 8.263 -19.358 4.855 1.00 0.00 C ATOM 420 O LYS A 36 8.808 -20.013 5.743 1.00 0.00 O ATOM 421 CB LYS A 36 5.972 -18.575 5.486 1.00 0.00 C ATOM 422 CG LYS A 36 5.066 -17.433 5.918 1.00 0.00 C ATOM 423 CD LYS A 36 4.053 -17.085 4.840 1.00 0.00 C ATOM 424 CE LYS A 36 2.916 -18.094 4.796 1.00 0.00 C ATOM 425 NZ LYS A 36 1.872 -17.711 3.806 1.00 0.00 N ATOM 0 H LYS A 36 6.539 -17.042 3.635 1.00 0.00 H new ATOM 0 HA LYS A 36 7.829 -17.667 6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.555 -19.041 4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.982 -19.335 6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.543 -17.709 6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.670 -16.555 6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.650 -16.089 5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.549 -17.052 3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.313 -19.077 4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.466 -18.177 5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.034 -18.313 3.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.608 -16.715 3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.244 -17.837 2.843 1.00 0.00 H new ATOM 439 N GLU A 37 8.373 -19.659 3.565 1.00 0.00 N ATOM 440 CA GLU A 37 9.159 -20.800 3.111 1.00 0.00 C ATOM 441 C GLU A 37 10.649 -20.549 3.308 1.00 0.00 C ATOM 442 O GLU A 37 11.359 -21.379 3.878 1.00 0.00 O ATOM 443 CB GLU A 37 8.871 -21.090 1.637 1.00 0.00 C ATOM 444 CG GLU A 37 7.671 -21.995 1.418 1.00 0.00 C ATOM 445 CD GLU A 37 7.516 -22.419 -0.030 1.00 0.00 C ATOM 446 OE1 GLU A 37 7.577 -21.541 -0.914 1.00 0.00 O ATOM 447 OE2 GLU A 37 7.333 -23.630 -0.277 1.00 0.00 O ATOM 0 H GLU A 37 7.928 -19.129 2.816 1.00 0.00 H new ATOM 0 HA GLU A 37 8.873 -21.666 3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.704 -20.147 1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.750 -21.552 1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.771 -22.882 2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.767 -21.478 1.740 1.00 0.00 H new ATOM 454 N ASN A 38 11.118 -19.400 2.836 1.00 0.00 N ATOM 455 CA ASN A 38 12.526 -19.042 2.960 1.00 0.00 C ATOM 456 C ASN A 38 12.681 -17.555 3.268 1.00 0.00 C ATOM 457 O ASN A 38 11.739 -16.778 3.116 1.00 0.00 O ATOM 458 CB ASN A 38 13.278 -19.391 1.675 1.00 0.00 C ATOM 459 CG ASN A 38 12.735 -18.652 0.467 1.00 0.00 C ATOM 460 OD1 ASN A 38 13.107 -17.507 0.207 1.00 0.00 O ATOM 461 ND2 ASN A 38 11.851 -19.305 -0.278 1.00 0.00 N ATOM 0 H ASN A 38 10.545 -18.701 2.364 1.00 0.00 H new ATOM 0 HA ASN A 38 12.951 -19.613 3.786 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.334 -19.152 1.799 1.00 0.00 H new ATOM 0 HB3 ASN A 38 13.213 -20.465 1.500 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.451 -18.859 -1.104 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.572 -20.253 -0.025 1.00 0.00 H new ATOM 468 N HIS A 39 13.877 -17.167 3.699 1.00 0.00 N ATOM 469 CA HIS A 39 14.154 -15.773 4.030 1.00 0.00 C ATOM 470 C HIS A 39 14.194 -14.912 2.771 1.00 0.00 C ATOM 471 O HIS A 39 15.240 -14.375 2.405 1.00 0.00 O ATOM 472 CB HIS A 39 15.479 -15.661 4.786 1.00 0.00 C ATOM 473 CG HIS A 39 15.361 -15.956 6.249 1.00 0.00 C ATOM 474 ND1 HIS A 39 14.304 -15.521 7.021 1.00 0.00 N ATOM 475 CD2 HIS A 39 16.174 -16.647 7.083 1.00 0.00 C ATOM 476 CE1 HIS A 39 14.472 -15.931 8.266 1.00 0.00 C ATOM 477 NE2 HIS A 39 15.599 -16.617 8.330 1.00 0.00 N ATOM 0 H HIS A 39 14.669 -17.797 3.827 1.00 0.00 H new ATOM 0 HA HIS A 39 13.349 -15.409 4.669 1.00 0.00 H new ATOM 0 HB2 HIS A 39 16.200 -16.348 4.342 1.00 0.00 H new ATOM 0 HB3 HIS A 39 15.877 -14.654 4.658 1.00 0.00 H new ATOM 0 HD1 HIS A 39 13.516 -14.969 6.684 1.00 0.00 H new ATOM 0 HD2 HIS A 39 17.102 -17.132 6.817 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.802 -15.738 9.091 1.00 0.00 H new ATOM 486 N ALA A 40 13.047 -14.783 2.114 1.00 0.00 N ATOM 487 CA ALA A 40 12.945 -13.986 0.898 1.00 0.00 C ATOM 488 C ALA A 40 11.935 -12.859 1.069 1.00 0.00 C ATOM 489 O ALA A 40 10.754 -13.103 1.316 1.00 0.00 O ATOM 490 CB ALA A 40 12.563 -14.868 -0.282 1.00 0.00 C ATOM 0 H ALA A 40 12.173 -15.221 2.404 1.00 0.00 H new ATOM 0 HA ALA A 40 13.920 -13.540 0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.491 -14.259 -1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.323 -15.636 -0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.601 -15.342 -0.086 1.00 0.00 H new ATOM 496 N ASP A 41 12.405 -11.623 0.940 1.00 0.00 N ATOM 497 CA ASP A 41 11.542 -10.455 1.085 1.00 0.00 C ATOM 498 C ASP A 41 10.325 -10.552 0.170 1.00 0.00 C ATOM 499 O ASP A 41 10.421 -11.033 -0.959 1.00 0.00 O ATOM 500 CB ASP A 41 12.324 -9.177 0.778 1.00 0.00 C ATOM 501 CG ASP A 41 12.807 -9.125 -0.657 1.00 0.00 C ATOM 502 OD1 ASP A 41 13.732 -9.890 -1.002 1.00 0.00 O ATOM 503 OD2 ASP A 41 12.261 -8.317 -1.438 1.00 0.00 O ATOM 0 H ASP A 41 13.380 -11.403 0.735 1.00 0.00 H new ATOM 0 HA ASP A 41 11.192 -10.423 2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.692 -8.311 0.977 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.180 -9.108 1.449 1.00 0.00 H new ATOM 508 N LEU A 42 9.180 -10.090 0.665 1.00 0.00 N ATOM 509 CA LEU A 42 7.944 -10.122 -0.109 1.00 0.00 C ATOM 510 C LEU A 42 7.546 -8.724 -0.582 1.00 0.00 C ATOM 511 O LEU A 42 6.492 -8.546 -1.192 1.00 0.00 O ATOM 512 CB LEU A 42 6.812 -10.728 0.725 1.00 0.00 C ATOM 513 CG LEU A 42 7.105 -12.113 1.311 1.00 0.00 C ATOM 514 CD1 LEU A 42 5.865 -12.676 1.988 1.00 0.00 C ATOM 515 CD2 LEU A 42 7.600 -13.059 0.226 1.00 0.00 C ATOM 0 H LEU A 42 9.083 -9.689 1.598 1.00 0.00 H new ATOM 0 HA LEU A 42 8.119 -10.743 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.580 -10.046 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.919 -10.795 0.103 1.00 0.00 H new ATOM 0 HG LEU A 42 7.890 -12.012 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.090 -13.660 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.555 -12.009 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.060 -12.763 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.803 -14.038 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.838 -13.157 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.514 -12.661 -0.214 1.00 0.00 H new ATOM 527 N GLY A 43 8.393 -7.734 -0.303 1.00 0.00 N ATOM 528 CA GLY A 43 8.102 -6.372 -0.713 1.00 0.00 C ATOM 529 C GLY A 43 7.868 -5.448 0.466 1.00 0.00 C ATOM 530 O GLY A 43 7.573 -5.905 1.569 1.00 0.00 O ATOM 0 H GLY A 43 9.273 -7.852 0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.930 -5.991 -1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.220 -6.369 -1.353 1.00 0.00 H new ATOM 534 N ILE A 44 7.997 -4.145 0.229 1.00 0.00 N ATOM 535 CA ILE A 44 7.797 -3.149 1.280 1.00 0.00 C ATOM 536 C ILE A 44 6.400 -2.543 1.202 1.00 0.00 C ATOM 537 O ILE A 44 5.958 -2.116 0.135 1.00 0.00 O ATOM 538 CB ILE A 44 8.837 -2.010 1.204 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.124 -1.637 -0.257 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.121 -2.404 1.923 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.265 -2.418 -0.875 1.00 0.00 C ATOM 0 H ILE A 44 8.239 -3.754 -0.681 1.00 0.00 H new ATOM 0 HA ILE A 44 7.919 -3.674 2.228 1.00 0.00 H new ATOM 0 HB ILE A 44 8.423 -1.135 1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.223 -1.800 -0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.353 -0.573 -0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.840 -1.587 1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.902 -2.612 2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.541 -3.295 1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.407 -2.099 -1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.179 -2.236 -0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.031 -3.482 -0.853 1.00 0.00 H new ATOM 553 N PHE A 45 5.711 -2.508 2.338 1.00 0.00 N ATOM 554 CA PHE A 45 4.361 -1.953 2.400 1.00 0.00 C ATOM 555 C PHE A 45 4.307 -0.766 3.354 1.00 0.00 C ATOM 556 O PHE A 45 4.958 -0.767 4.398 1.00 0.00 O ATOM 557 CB PHE A 45 3.355 -3.021 2.844 1.00 0.00 C ATOM 558 CG PHE A 45 3.760 -4.422 2.484 1.00 0.00 C ATOM 559 CD1 PHE A 45 4.692 -5.104 3.249 1.00 0.00 C ATOM 560 CD2 PHE A 45 3.210 -5.057 1.381 1.00 0.00 C ATOM 561 CE1 PHE A 45 5.069 -6.392 2.923 1.00 0.00 C ATOM 562 CE2 PHE A 45 3.583 -6.346 1.049 1.00 0.00 C ATOM 563 CZ PHE A 45 4.515 -7.014 1.821 1.00 0.00 C ATOM 0 H PHE A 45 6.064 -2.857 3.229 1.00 0.00 H new ATOM 0 HA PHE A 45 4.095 -1.612 1.400 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.224 -2.957 3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.387 -2.805 2.392 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.129 -4.622 4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.482 -4.539 0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.796 -6.912 3.529 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.147 -6.830 0.188 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.810 -8.021 1.563 1.00 0.00 H new ATOM 573 N VAL A 46 3.524 0.242 2.987 1.00 0.00 N ATOM 574 CA VAL A 46 3.381 1.436 3.812 1.00 0.00 C ATOM 575 C VAL A 46 2.880 1.077 5.206 1.00 0.00 C ATOM 576 O VAL A 46 1.710 0.748 5.392 1.00 0.00 O ATOM 577 CB VAL A 46 2.417 2.450 3.167 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.376 3.739 3.976 1.00 0.00 C ATOM 579 CG2 VAL A 46 2.824 2.729 1.729 1.00 0.00 C ATOM 0 H VAL A 46 2.979 0.257 2.125 1.00 0.00 H new ATOM 0 HA VAL A 46 4.368 1.892 3.892 1.00 0.00 H new ATOM 0 HB VAL A 46 1.415 2.020 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.690 4.443 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.035 3.522 4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.374 4.176 4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.133 3.447 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.834 3.138 1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.797 1.802 1.157 1.00 0.00 H new ATOM 589 N LYS A 47 3.782 1.137 6.181 1.00 0.00 N ATOM 590 CA LYS A 47 3.444 0.815 7.561 1.00 0.00 C ATOM 591 C LYS A 47 2.616 1.926 8.197 1.00 0.00 C ATOM 592 O LYS A 47 1.658 1.658 8.921 1.00 0.00 O ATOM 593 CB LYS A 47 4.715 0.581 8.380 1.00 0.00 C ATOM 594 CG LYS A 47 4.449 0.262 9.843 1.00 0.00 C ATOM 595 CD LYS A 47 3.767 -1.087 10.006 1.00 0.00 C ATOM 596 CE LYS A 47 3.173 -1.250 11.397 1.00 0.00 C ATOM 597 NZ LYS A 47 3.658 -2.489 12.067 1.00 0.00 N ATOM 0 H LYS A 47 4.755 1.407 6.039 1.00 0.00 H new ATOM 0 HA LYS A 47 2.849 -0.098 7.555 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.278 -0.240 7.935 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.344 1.469 8.319 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.390 0.264 10.393 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.824 1.042 10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.980 -1.190 9.259 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.487 -1.884 9.822 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.431 -0.383 12.006 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.086 -1.277 11.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.142 -2.626 12.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.496 -3.306 11.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.675 -2.401 12.265 1.00 0.00 H new ATOM 611 N SER A 48 2.989 3.170 7.926 1.00 0.00 N ATOM 612 CA SER A 48 2.269 4.309 8.486 1.00 0.00 C ATOM 613 C SER A 48 2.751 5.623 7.881 1.00 0.00 C ATOM 614 O SER A 48 3.936 5.949 7.940 1.00 0.00 O ATOM 615 CB SER A 48 2.434 4.345 10.006 1.00 0.00 C ATOM 616 OG SER A 48 1.373 3.659 10.651 1.00 0.00 O ATOM 0 H SER A 48 3.778 3.416 7.328 1.00 0.00 H new ATOM 0 HA SER A 48 1.214 4.189 8.241 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.386 3.891 10.282 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.463 5.380 10.347 1.00 0.00 H new ATOM 0 HG SER A 48 1.301 2.752 10.288 1.00 0.00 H new ATOM 622 N ILE A 49 1.819 6.371 7.304 1.00 0.00 N ATOM 623 CA ILE A 49 2.138 7.652 6.690 1.00 0.00 C ATOM 624 C ILE A 49 2.120 8.774 7.722 1.00 0.00 C ATOM 625 O ILE A 49 1.064 9.141 8.239 1.00 0.00 O ATOM 626 CB ILE A 49 1.149 7.983 5.554 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.174 6.875 4.501 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.479 9.328 4.924 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.073 6.993 3.473 1.00 0.00 C ATOM 0 H ILE A 49 0.834 6.111 7.249 1.00 0.00 H new ATOM 0 HA ILE A 49 3.142 7.571 6.273 1.00 0.00 H new ATOM 0 HB ILE A 49 0.145 8.047 5.974 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.138 6.890 3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.092 5.909 5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.768 9.540 4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.418 10.109 5.681 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.488 9.300 4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.153 6.174 2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.896 6.947 3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.166 7.943 2.947 1.00 0.00 H new ATOM 641 N ILE A 50 3.297 9.317 8.021 1.00 0.00 N ATOM 642 CA ILE A 50 3.424 10.399 8.991 1.00 0.00 C ATOM 643 C ILE A 50 2.408 11.503 8.707 1.00 0.00 C ATOM 644 O ILE A 50 2.580 12.291 7.778 1.00 0.00 O ATOM 645 CB ILE A 50 4.856 10.988 8.990 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.813 10.042 9.714 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.897 12.369 9.637 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.944 9.536 8.848 1.00 0.00 C ATOM 0 H ILE A 50 4.180 9.023 7.603 1.00 0.00 H new ATOM 0 HA ILE A 50 3.224 9.980 9.977 1.00 0.00 H new ATOM 0 HB ILE A 50 5.170 11.097 7.952 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.232 10.556 10.579 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.249 9.190 10.093 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.918 12.750 9.618 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.246 13.048 9.086 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.556 12.297 10.670 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.580 8.871 9.432 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.535 8.992 7.997 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.534 10.380 8.490 1.00 0.00 H new ATOM 660 N ASN A 51 1.350 11.549 9.514 1.00 0.00 N ATOM 661 CA ASN A 51 0.304 12.553 9.351 1.00 0.00 C ATOM 662 C ASN A 51 0.867 13.957 9.544 1.00 0.00 C ATOM 663 O ASN A 51 0.660 14.588 10.581 1.00 0.00 O ATOM 664 CB ASN A 51 -0.845 12.307 10.335 1.00 0.00 C ATOM 665 CG ASN A 51 -0.359 11.913 11.718 1.00 0.00 C ATOM 666 OD1 ASN A 51 -0.537 10.775 12.150 1.00 0.00 O ATOM 667 ND2 ASN A 51 0.258 12.857 12.418 1.00 0.00 N ATOM 0 H ASN A 51 1.196 10.902 10.287 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.084 12.470 8.336 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.452 13.209 10.411 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.491 11.521 9.944 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.607 12.652 13.354 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.384 13.788 12.020 1.00 0.00 H new ATOM 674 N GLY A 52 1.588 14.434 8.539 1.00 0.00 N ATOM 675 CA GLY A 52 2.186 15.753 8.602 1.00 0.00 C ATOM 676 C GLY A 52 3.319 15.901 7.608 1.00 0.00 C ATOM 677 O GLY A 52 3.592 16.999 7.124 1.00 0.00 O ATOM 0 H GLY A 52 1.771 13.926 7.674 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.425 16.508 8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.559 15.936 9.610 1.00 0.00 H new ATOM 681 N GLY A 53 3.976 14.786 7.298 1.00 0.00 N ATOM 682 CA GLY A 53 5.073 14.812 6.351 1.00 0.00 C ATOM 683 C GLY A 53 4.607 15.068 4.931 1.00 0.00 C ATOM 684 O GLY A 53 3.499 15.555 4.711 1.00 0.00 O ATOM 0 H GLY A 53 3.767 13.866 7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.782 15.587 6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.605 13.861 6.390 1.00 0.00 H new ATOM 688 N ALA A 54 5.459 14.742 3.967 1.00 0.00 N ATOM 689 CA ALA A 54 5.138 14.943 2.559 1.00 0.00 C ATOM 690 C ALA A 54 4.171 13.885 2.039 1.00 0.00 C ATOM 691 O ALA A 54 3.284 14.182 1.239 1.00 0.00 O ATOM 692 CB ALA A 54 6.412 14.948 1.732 1.00 0.00 C ATOM 0 H ALA A 54 6.380 14.336 4.135 1.00 0.00 H new ATOM 0 HA ALA A 54 4.643 15.909 2.465 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.163 15.099 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.062 15.755 2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.926 13.994 1.850 1.00 0.00 H new ATOM 698 N ALA A 55 4.346 12.649 2.492 1.00 0.00 N ATOM 699 CA ALA A 55 3.487 11.550 2.065 1.00 0.00 C ATOM 700 C ALA A 55 2.044 11.790 2.485 1.00 0.00 C ATOM 701 O ALA A 55 1.111 11.491 1.740 1.00 0.00 O ATOM 702 CB ALA A 55 3.991 10.230 2.626 1.00 0.00 C ATOM 0 H ALA A 55 5.074 12.382 3.154 1.00 0.00 H new ATOM 0 HA ALA A 55 3.519 11.500 0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.338 9.422 2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.004 10.046 2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.993 10.275 3.715 1.00 0.00 H new ATOM 708 N SER A 56 1.866 12.345 3.676 1.00 0.00 N ATOM 709 CA SER A 56 0.531 12.635 4.181 1.00 0.00 C ATOM 710 C SER A 56 -0.003 13.900 3.525 1.00 0.00 C ATOM 711 O SER A 56 -1.196 14.016 3.242 1.00 0.00 O ATOM 712 CB SER A 56 0.555 12.807 5.700 1.00 0.00 C ATOM 713 OG SER A 56 -0.756 12.774 6.237 1.00 0.00 O ATOM 0 H SER A 56 2.625 12.602 4.308 1.00 0.00 H new ATOM 0 HA SER A 56 -0.123 11.797 3.938 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.156 12.016 6.149 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.032 13.753 5.955 1.00 0.00 H new ATOM 0 HG SER A 56 -0.914 13.584 6.765 1.00 0.00 H new ATOM 719 N LYS A 57 0.899 14.841 3.280 1.00 0.00 N ATOM 720 CA LYS A 57 0.547 16.102 2.648 1.00 0.00 C ATOM 721 C LYS A 57 0.178 15.890 1.186 1.00 0.00 C ATOM 722 O LYS A 57 -0.657 16.608 0.634 1.00 0.00 O ATOM 723 CB LYS A 57 1.703 17.078 2.767 1.00 0.00 C ATOM 724 CG LYS A 57 1.744 17.757 4.118 1.00 0.00 C ATOM 725 CD LYS A 57 2.901 18.720 4.208 1.00 0.00 C ATOM 726 CE LYS A 57 2.469 20.128 3.841 1.00 0.00 C ATOM 727 NZ LYS A 57 3.452 21.149 4.296 1.00 0.00 N ATOM 0 H LYS A 57 1.888 14.752 3.512 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.322 16.517 3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.641 16.549 2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.620 17.833 1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.809 18.291 4.289 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.830 17.006 4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.307 18.713 5.220 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.701 18.396 3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.346 20.199 2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.497 20.337 4.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.119 22.096 4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.551 21.099 5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.374 20.966 3.851 1.00 0.00 H new ATOM 741 N ASP A 58 0.800 14.893 0.565 1.00 0.00 N ATOM 742 CA ASP A 58 0.534 14.577 -0.833 1.00 0.00 C ATOM 743 C ASP A 58 -0.907 14.112 -1.015 1.00 0.00 C ATOM 744 O ASP A 58 -1.480 14.236 -2.097 1.00 0.00 O ATOM 745 CB ASP A 58 1.497 13.495 -1.324 1.00 0.00 C ATOM 746 CG ASP A 58 1.592 13.449 -2.837 1.00 0.00 C ATOM 747 OD1 ASP A 58 1.741 14.524 -3.456 1.00 0.00 O ATOM 748 OD2 ASP A 58 1.518 12.338 -3.403 1.00 0.00 O ATOM 0 H ASP A 58 1.492 14.290 1.009 1.00 0.00 H new ATOM 0 HA ASP A 58 0.685 15.481 -1.423 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.487 13.677 -0.906 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.168 12.524 -0.954 1.00 0.00 H new ATOM 753 N GLY A 59 -1.489 13.574 0.055 1.00 0.00 N ATOM 754 CA GLY A 59 -2.860 13.101 -0.005 1.00 0.00 C ATOM 755 C GLY A 59 -3.058 12.019 -1.051 1.00 0.00 C ATOM 756 O GLY A 59 -4.146 11.879 -1.608 1.00 0.00 O ATOM 0 H GLY A 59 -1.035 13.458 0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.150 12.714 0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.521 13.940 -0.225 1.00 0.00 H new ATOM 760 N ARG A 60 -2.004 11.253 -1.316 1.00 0.00 N ATOM 761 CA ARG A 60 -2.073 10.181 -2.302 1.00 0.00 C ATOM 762 C ARG A 60 -1.631 8.852 -1.697 1.00 0.00 C ATOM 763 O ARG A 60 -2.125 7.791 -2.080 1.00 0.00 O ATOM 764 CB ARG A 60 -1.200 10.519 -3.514 1.00 0.00 C ATOM 765 CG ARG A 60 -1.975 11.140 -4.663 1.00 0.00 C ATOM 766 CD ARG A 60 -1.069 11.961 -5.568 1.00 0.00 C ATOM 767 NE ARG A 60 -0.729 13.252 -4.975 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.330 14.311 -5.678 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.208 14.234 -6.997 1.00 0.00 N ATOM 770 NH2 ARG A 60 -0.048 15.448 -5.058 1.00 0.00 N ATOM 0 H ARG A 60 -1.096 11.354 -0.863 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.110 10.084 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.412 11.206 -3.204 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.711 9.610 -3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.457 10.354 -5.245 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.768 11.775 -4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.155 11.402 -5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.563 12.121 -6.527 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.801 13.348 -3.962 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.420 13.360 -7.479 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.098 15.049 -7.529 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.137 15.511 -4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.258 16.260 -5.595 1.00 0.00 H new ATOM 784 N LEU A 61 -0.697 8.915 -0.755 1.00 0.00 N ATOM 785 CA LEU A 61 -0.189 7.715 -0.103 1.00 0.00 C ATOM 786 C LEU A 61 -1.248 7.076 0.787 1.00 0.00 C ATOM 787 O LEU A 61 -2.082 7.763 1.376 1.00 0.00 O ATOM 788 CB LEU A 61 1.057 8.042 0.720 1.00 0.00 C ATOM 789 CG LEU A 61 2.342 8.163 -0.090 1.00 0.00 C ATOM 790 CD1 LEU A 61 2.643 9.620 -0.403 1.00 0.00 C ATOM 791 CD2 LEU A 61 3.506 7.514 0.645 1.00 0.00 C ATOM 0 H LEU A 61 -0.277 9.784 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 61 0.075 7.001 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.889 8.979 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.191 7.267 1.475 1.00 0.00 H new ATOM 0 HG LEU A 61 2.203 7.635 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.564 9.685 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.822 10.046 -0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.759 10.176 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.413 7.612 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.649 8.007 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.291 6.458 0.807 1.00 0.00 H new ATOM 803 N ARG A 62 -1.201 5.753 0.877 1.00 0.00 N ATOM 804 CA ARG A 62 -2.143 5.000 1.692 1.00 0.00 C ATOM 805 C ARG A 62 -1.448 3.817 2.356 1.00 0.00 C ATOM 806 O ARG A 62 -0.848 2.981 1.681 1.00 0.00 O ATOM 807 CB ARG A 62 -3.303 4.508 0.834 1.00 0.00 C ATOM 808 CG ARG A 62 -4.488 5.453 0.835 1.00 0.00 C ATOM 809 CD ARG A 62 -5.613 4.917 -0.026 1.00 0.00 C ATOM 810 NE ARG A 62 -5.161 4.609 -1.381 1.00 0.00 N ATOM 811 CZ ARG A 62 -5.122 5.497 -2.373 1.00 0.00 C ATOM 812 NH1 ARG A 62 -5.486 6.755 -2.163 1.00 0.00 N ATOM 813 NH2 ARG A 62 -4.707 5.126 -3.577 1.00 0.00 N ATOM 0 H ARG A 62 -0.514 5.176 0.391 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.530 5.658 2.470 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.956 4.371 -0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.625 3.531 1.195 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.843 5.595 1.856 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.178 6.431 0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.025 4.018 0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.418 5.650 -0.070 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.857 3.656 -1.579 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.798 7.048 -1.237 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.454 7.430 -2.927 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.418 4.162 -3.742 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.677 5.805 -4.338 1.00 0.00 H new ATOM 827 N VAL A 63 -1.527 3.753 3.680 1.00 0.00 N ATOM 828 CA VAL A 63 -0.898 2.671 4.428 1.00 0.00 C ATOM 829 C VAL A 63 -1.320 1.306 3.891 1.00 0.00 C ATOM 830 O VAL A 63 -2.467 1.116 3.486 1.00 0.00 O ATOM 831 CB VAL A 63 -1.232 2.756 5.930 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.479 1.688 6.710 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.906 4.142 6.464 1.00 0.00 C ATOM 0 H VAL A 63 -2.019 4.436 4.256 1.00 0.00 H new ATOM 0 HA VAL A 63 0.179 2.784 4.300 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.300 2.578 6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.729 1.766 7.768 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.761 0.702 6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.594 1.831 6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.147 4.189 7.526 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.155 4.346 6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.493 4.886 5.926 1.00 0.00 H new ATOM 843 N ASN A 64 -0.374 0.366 3.883 1.00 0.00 N ATOM 844 CA ASN A 64 -0.614 -0.993 3.393 1.00 0.00 C ATOM 845 C ASN A 64 -0.429 -1.076 1.880 1.00 0.00 C ATOM 846 O ASN A 64 -0.894 -2.019 1.240 1.00 0.00 O ATOM 847 CB ASN A 64 -2.016 -1.487 3.777 1.00 0.00 C ATOM 848 CG ASN A 64 -2.378 -1.150 5.209 1.00 0.00 C ATOM 849 OD1 ASN A 64 -1.630 -1.448 6.139 1.00 0.00 O ATOM 850 ND2 ASN A 64 -3.534 -0.523 5.395 1.00 0.00 N ATOM 0 H ASN A 64 0.578 0.524 4.215 1.00 0.00 H new ATOM 0 HA ASN A 64 0.122 -1.640 3.870 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.751 -1.043 3.106 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.068 -2.567 3.637 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.831 -0.270 6.337 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.125 -0.294 4.595 1.00 0.00 H new ATOM 857 N ASP A 65 0.263 -0.091 1.315 1.00 0.00 N ATOM 858 CA ASP A 65 0.518 -0.062 -0.119 1.00 0.00 C ATOM 859 C ASP A 65 1.921 -0.581 -0.419 1.00 0.00 C ATOM 860 O ASP A 65 2.914 -0.010 0.033 1.00 0.00 O ATOM 861 CB ASP A 65 0.361 1.361 -0.660 1.00 0.00 C ATOM 862 CG ASP A 65 -1.079 1.688 -1.008 1.00 0.00 C ATOM 863 OD1 ASP A 65 -1.986 1.176 -0.320 1.00 0.00 O ATOM 864 OD2 ASP A 65 -1.297 2.459 -1.965 1.00 0.00 O ATOM 0 H ASP A 65 0.657 0.697 1.829 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.209 -0.708 -0.611 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.724 2.072 0.082 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.983 1.481 -1.547 1.00 0.00 H new ATOM 869 N GLN A 66 1.996 -1.671 -1.175 1.00 0.00 N ATOM 870 CA GLN A 66 3.279 -2.268 -1.524 1.00 0.00 C ATOM 871 C GLN A 66 3.998 -1.436 -2.578 1.00 0.00 C ATOM 872 O GLN A 66 3.442 -1.137 -3.633 1.00 0.00 O ATOM 873 CB GLN A 66 3.074 -3.695 -2.031 1.00 0.00 C ATOM 874 CG GLN A 66 4.317 -4.565 -1.919 1.00 0.00 C ATOM 875 CD GLN A 66 5.189 -4.497 -3.157 1.00 0.00 C ATOM 876 OE1 GLN A 66 4.689 -4.444 -4.280 1.00 0.00 O ATOM 877 NE2 GLN A 66 6.501 -4.499 -2.956 1.00 0.00 N ATOM 0 H GLN A 66 1.185 -2.158 -1.557 1.00 0.00 H new ATOM 0 HA GLN A 66 3.899 -2.293 -0.628 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.264 -4.159 -1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.758 -3.659 -3.074 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.898 -4.252 -1.052 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.018 -5.599 -1.746 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.871 -4.544 -2.007 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.139 -4.455 -3.751 1.00 0.00 H new ATOM 886 N LEU A 67 5.239 -1.060 -2.282 1.00 0.00 N ATOM 887 CA LEU A 67 6.034 -0.258 -3.204 1.00 0.00 C ATOM 888 C LEU A 67 6.563 -1.102 -4.357 1.00 0.00 C ATOM 889 O LEU A 67 6.953 -2.255 -4.173 1.00 0.00 O ATOM 890 CB LEU A 67 7.204 0.399 -2.470 1.00 0.00 C ATOM 891 CG LEU A 67 6.814 1.297 -1.297 1.00 0.00 C ATOM 892 CD1 LEU A 67 8.052 1.757 -0.541 1.00 0.00 C ATOM 893 CD2 LEU A 67 6.009 2.491 -1.788 1.00 0.00 C ATOM 0 H LEU A 67 5.715 -1.298 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 67 5.384 0.516 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.867 -0.384 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.775 0.991 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 67 6.192 0.721 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.754 2.395 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.588 0.889 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.702 2.317 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.739 3.121 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.607 3.068 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.103 2.140 -2.283 1.00 0.00 H new ATOM 905 N ILE A 68 6.577 -0.511 -5.545 1.00 0.00 N ATOM 906 CA ILE A 68 7.063 -1.192 -6.737 1.00 0.00 C ATOM 907 C ILE A 68 8.180 -0.392 -7.397 1.00 0.00 C ATOM 908 O ILE A 68 9.165 -0.953 -7.872 1.00 0.00 O ATOM 909 CB ILE A 68 5.934 -1.417 -7.761 1.00 0.00 C ATOM 910 CG1 ILE A 68 4.707 -2.021 -7.075 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.414 -2.316 -8.891 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.469 -2.021 -7.946 1.00 0.00 C ATOM 0 H ILE A 68 6.256 0.443 -5.708 1.00 0.00 H new ATOM 0 HA ILE A 68 7.445 -2.161 -6.417 1.00 0.00 H new ATOM 0 HB ILE A 68 5.651 -0.454 -8.186 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.933 -3.045 -6.779 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.499 -1.463 -6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.605 -2.465 -9.606 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.261 -1.848 -9.394 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.721 -3.279 -8.484 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.638 -2.463 -7.397 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.218 -0.997 -8.222 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.659 -2.603 -8.848 1.00 0.00 H new ATOM 924 N ALA A 69 8.017 0.928 -7.416 1.00 0.00 N ATOM 925 CA ALA A 69 9.009 1.814 -8.011 1.00 0.00 C ATOM 926 C ALA A 69 8.998 3.177 -7.330 1.00 0.00 C ATOM 927 O ALA A 69 7.987 3.592 -6.763 1.00 0.00 O ATOM 928 CB ALA A 69 8.759 1.961 -9.503 1.00 0.00 C ATOM 0 H ALA A 69 7.206 1.407 -7.025 1.00 0.00 H new ATOM 0 HA ALA A 69 9.994 1.371 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.508 2.626 -9.934 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.824 0.983 -9.981 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.766 2.379 -9.666 1.00 0.00 H new ATOM 934 N VAL A 70 10.128 3.872 -7.394 1.00 0.00 N ATOM 935 CA VAL A 70 10.254 5.191 -6.787 1.00 0.00 C ATOM 936 C VAL A 70 11.103 6.107 -7.663 1.00 0.00 C ATOM 937 O VAL A 70 12.230 5.767 -8.019 1.00 0.00 O ATOM 938 CB VAL A 70 10.882 5.103 -5.383 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.266 4.475 -5.452 1.00 0.00 C ATOM 940 CG2 VAL A 70 10.944 6.479 -4.732 1.00 0.00 C ATOM 0 H VAL A 70 10.972 3.542 -7.862 1.00 0.00 H new ATOM 0 HA VAL A 70 9.250 5.605 -6.696 1.00 0.00 H new ATOM 0 HB VAL A 70 10.249 4.465 -4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.692 4.422 -4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.189 3.470 -5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.910 5.082 -6.088 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.391 6.393 -3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.549 7.145 -5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.936 6.884 -4.641 1.00 0.00 H new ATOM 950 N ASN A 71 10.554 7.266 -8.011 1.00 0.00 N ATOM 951 CA ASN A 71 11.258 8.233 -8.850 1.00 0.00 C ATOM 952 C ASN A 71 11.509 7.684 -10.254 1.00 0.00 C ATOM 953 O ASN A 71 12.280 8.260 -11.023 1.00 0.00 O ATOM 954 CB ASN A 71 12.587 8.634 -8.205 1.00 0.00 C ATOM 955 CG ASN A 71 12.393 9.442 -6.938 1.00 0.00 C ATOM 956 OD1 ASN A 71 12.136 10.645 -6.990 1.00 0.00 O ATOM 957 ND2 ASN A 71 12.519 8.785 -5.791 1.00 0.00 N ATOM 0 H ASN A 71 9.620 7.561 -7.725 1.00 0.00 H new ATOM 0 HA ASN A 71 10.620 9.112 -8.939 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.162 7.737 -7.976 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.173 9.215 -8.917 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.402 9.278 -4.906 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.733 7.788 -5.795 1.00 0.00 H new ATOM 964 N GLY A 72 10.850 6.577 -10.593 1.00 0.00 N ATOM 965 CA GLY A 72 11.019 5.992 -11.912 1.00 0.00 C ATOM 966 C GLY A 72 11.970 4.807 -11.924 1.00 0.00 C ATOM 967 O GLY A 72 12.396 4.365 -12.991 1.00 0.00 O ATOM 0 H GLY A 72 10.205 6.078 -9.980 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.047 5.673 -12.288 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.391 6.755 -12.596 1.00 0.00 H new ATOM 971 N GLU A 73 12.304 4.288 -10.746 1.00 0.00 N ATOM 972 CA GLU A 73 13.208 3.146 -10.648 1.00 0.00 C ATOM 973 C GLU A 73 12.600 2.039 -9.794 1.00 0.00 C ATOM 974 O GLU A 73 12.428 2.196 -8.585 1.00 0.00 O ATOM 975 CB GLU A 73 14.557 3.576 -10.069 1.00 0.00 C ATOM 976 CG GLU A 73 14.444 4.561 -8.918 1.00 0.00 C ATOM 977 CD GLU A 73 15.778 4.840 -8.254 1.00 0.00 C ATOM 978 OE1 GLU A 73 16.721 5.246 -8.966 1.00 0.00 O ATOM 979 OE2 GLU A 73 15.879 4.654 -7.024 1.00 0.00 O ATOM 0 H GLU A 73 11.964 4.638 -9.850 1.00 0.00 H new ATOM 0 HA GLU A 73 13.365 2.757 -11.654 1.00 0.00 H new ATOM 0 HB2 GLU A 73 15.093 2.691 -9.726 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.156 4.025 -10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.023 5.497 -9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.748 4.169 -8.176 1.00 0.00 H new ATOM 986 N SER A 74 12.273 0.918 -10.432 1.00 0.00 N ATOM 987 CA SER A 74 11.682 -0.217 -9.734 1.00 0.00 C ATOM 988 C SER A 74 12.664 -0.811 -8.730 1.00 0.00 C ATOM 989 O SER A 74 13.841 -0.450 -8.708 1.00 0.00 O ATOM 990 CB SER A 74 11.251 -1.290 -10.735 1.00 0.00 C ATOM 991 OG SER A 74 12.358 -2.061 -11.168 1.00 0.00 O ATOM 0 H SER A 74 12.408 0.773 -11.433 1.00 0.00 H new ATOM 0 HA SER A 74 10.806 0.140 -9.192 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.508 -1.942 -10.276 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.774 -0.819 -11.594 1.00 0.00 H new ATOM 0 HG SER A 74 12.054 -2.740 -11.806 1.00 0.00 H new ATOM 997 N LEU A 75 12.172 -1.722 -7.897 1.00 0.00 N ATOM 998 CA LEU A 75 13.008 -2.363 -6.886 1.00 0.00 C ATOM 999 C LEU A 75 12.620 -3.830 -6.696 1.00 0.00 C ATOM 1000 O LEU A 75 12.989 -4.452 -5.699 1.00 0.00 O ATOM 1001 CB LEU A 75 12.902 -1.618 -5.548 1.00 0.00 C ATOM 1002 CG LEU A 75 11.823 -0.534 -5.483 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.444 -1.163 -5.352 1.00 0.00 C ATOM 1004 CD2 LEU A 75 12.092 0.415 -4.325 1.00 0.00 C ATOM 0 H LEU A 75 11.201 -2.033 -7.901 1.00 0.00 H new ATOM 0 HA LEU A 75 14.040 -2.323 -7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 75 12.709 -2.346 -4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.867 -1.160 -5.329 1.00 0.00 H new ATOM 0 HG LEU A 75 11.852 0.039 -6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.689 -0.378 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.252 -1.802 -6.214 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.401 -1.760 -4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.316 1.179 -4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.090 -0.143 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.063 0.890 -4.462 1.00 0.00 H new ATOM 1016 N LEU A 76 11.879 -4.380 -7.653 1.00 0.00 N ATOM 1017 CA LEU A 76 11.449 -5.773 -7.580 1.00 0.00 C ATOM 1018 C LEU A 76 12.642 -6.721 -7.676 1.00 0.00 C ATOM 1019 O LEU A 76 12.560 -7.877 -7.259 1.00 0.00 O ATOM 1020 CB LEU A 76 10.447 -6.078 -8.694 1.00 0.00 C ATOM 1021 CG LEU A 76 9.251 -6.934 -8.271 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.314 -6.138 -7.377 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.510 -7.456 -9.493 1.00 0.00 C ATOM 0 H LEU A 76 11.564 -3.884 -8.487 1.00 0.00 H new ATOM 0 HA LEU A 76 10.966 -5.927 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.076 -5.135 -9.096 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.970 -6.586 -9.504 1.00 0.00 H new ATOM 0 HG LEU A 76 9.622 -7.788 -7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.470 -6.763 -7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.850 -5.814 -6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.950 -5.265 -7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.663 -8.063 -9.173 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.151 -6.616 -10.087 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.185 -8.064 -10.095 1.00 0.00 H new ATOM 1035 N GLY A 77 13.747 -6.230 -8.230 1.00 0.00 N ATOM 1036 CA GLY A 77 14.933 -7.055 -8.370 1.00 0.00 C ATOM 1037 C GLY A 77 15.873 -6.947 -7.183 1.00 0.00 C ATOM 1038 O GLY A 77 17.029 -7.362 -7.264 1.00 0.00 O ATOM 0 H GLY A 77 13.842 -5.278 -8.584 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.633 -8.095 -8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.466 -6.766 -9.276 1.00 0.00 H new ATOM 1042 N LYS A 78 15.382 -6.390 -6.078 1.00 0.00 N ATOM 1043 CA LYS A 78 16.197 -6.239 -4.877 1.00 0.00 C ATOM 1044 C LYS A 78 15.396 -6.552 -3.626 1.00 0.00 C ATOM 1045 O LYS A 78 14.168 -6.604 -3.648 1.00 0.00 O ATOM 1046 CB LYS A 78 16.772 -4.824 -4.794 1.00 0.00 C ATOM 1047 CG LYS A 78 15.714 -3.736 -4.695 1.00 0.00 C ATOM 1048 CD LYS A 78 16.345 -2.360 -4.545 1.00 0.00 C ATOM 1049 CE LYS A 78 17.293 -2.050 -5.693 1.00 0.00 C ATOM 1050 NZ LYS A 78 18.712 -2.002 -5.243 1.00 0.00 N ATOM 0 H LYS A 78 14.429 -6.038 -5.990 1.00 0.00 H new ATOM 0 HA LYS A 78 17.019 -6.952 -4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.429 -4.759 -3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.388 -4.640 -5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.086 -3.755 -5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.064 -3.935 -3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.562 -1.603 -4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.887 -2.309 -3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.184 -2.808 -6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.021 -1.094 -6.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.332 -1.856 -6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.837 -1.218 -4.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.959 -2.899 -4.778 1.00 0.00 H new ATOM 1064 N ALA A 79 16.115 -6.770 -2.536 1.00 0.00 N ATOM 1065 CA ALA A 79 15.503 -7.094 -1.259 1.00 0.00 C ATOM 1066 C ALA A 79 14.708 -5.915 -0.705 1.00 0.00 C ATOM 1067 O ALA A 79 14.891 -4.776 -1.133 1.00 0.00 O ATOM 1068 CB ALA A 79 16.578 -7.524 -0.280 1.00 0.00 C ATOM 0 H ALA A 79 17.134 -6.727 -2.512 1.00 0.00 H new ATOM 0 HA ALA A 79 14.801 -7.914 -1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.121 -7.768 0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.094 -8.402 -0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.293 -6.712 -0.145 1.00 0.00 H new ATOM 1074 N ASN A 80 13.825 -6.199 0.249 1.00 0.00 N ATOM 1075 CA ASN A 80 12.999 -5.161 0.860 1.00 0.00 C ATOM 1076 C ASN A 80 13.861 -4.045 1.443 1.00 0.00 C ATOM 1077 O ASN A 80 13.655 -2.871 1.140 1.00 0.00 O ATOM 1078 CB ASN A 80 12.102 -5.753 1.951 1.00 0.00 C ATOM 1079 CG ASN A 80 12.813 -6.788 2.803 1.00 0.00 C ATOM 1080 OD1 ASN A 80 14.029 -6.734 2.980 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.054 -7.740 3.330 1.00 0.00 N ATOM 0 H ASN A 80 13.663 -7.137 0.615 1.00 0.00 H new ATOM 0 HA ASN A 80 12.369 -4.738 0.078 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.739 -4.949 2.592 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.228 -6.210 1.487 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.476 -8.466 3.909 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.049 -7.745 3.156 1.00 0.00 H new ATOM 1088 N GLN A 81 14.827 -4.417 2.276 1.00 0.00 N ATOM 1089 CA GLN A 81 15.719 -3.440 2.889 1.00 0.00 C ATOM 1090 C GLN A 81 16.470 -2.657 1.819 1.00 0.00 C ATOM 1091 O GLN A 81 16.703 -1.455 1.959 1.00 0.00 O ATOM 1092 CB GLN A 81 16.711 -4.129 3.827 1.00 0.00 C ATOM 1093 CG GLN A 81 17.404 -5.328 3.206 1.00 0.00 C ATOM 1094 CD GLN A 81 18.725 -4.969 2.559 1.00 0.00 C ATOM 1095 OE1 GLN A 81 19.639 -4.475 3.219 1.00 0.00 O ATOM 1096 NE2 GLN A 81 18.831 -5.215 1.259 1.00 0.00 N ATOM 0 H GLN A 81 15.012 -5.384 2.541 1.00 0.00 H new ATOM 0 HA GLN A 81 15.113 -2.746 3.471 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.465 -3.406 4.139 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.185 -4.450 4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 81 17.574 -6.083 3.974 1.00 0.00 H new ATOM 0 HG3 GLN A 81 16.748 -5.775 2.459 1.00 0.00 H new ATOM 0 HE21 GLN A 81 18.047 -5.626 0.752 1.00 0.00 H new ATOM 0 HE22 GLN A 81 19.697 -4.993 0.767 1.00 0.00 H new ATOM 1105 N GLU A 82 16.821 -3.345 0.741 1.00 0.00 N ATOM 1106 CA GLU A 82 17.524 -2.719 -0.368 1.00 0.00 C ATOM 1107 C GLU A 82 16.578 -1.783 -1.099 1.00 0.00 C ATOM 1108 O GLU A 82 16.961 -0.694 -1.524 1.00 0.00 O ATOM 1109 CB GLU A 82 18.070 -3.782 -1.327 1.00 0.00 C ATOM 1110 CG GLU A 82 19.588 -3.813 -1.399 1.00 0.00 C ATOM 1111 CD GLU A 82 20.138 -2.932 -2.503 1.00 0.00 C ATOM 1112 OE1 GLU A 82 20.323 -1.721 -2.261 1.00 0.00 O ATOM 1113 OE2 GLU A 82 20.384 -3.453 -3.611 1.00 0.00 O ATOM 0 H GLU A 82 16.630 -4.339 0.612 1.00 0.00 H new ATOM 0 HA GLU A 82 18.368 -2.148 0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.709 -4.762 -1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.671 -3.599 -2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.000 -3.490 -0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 82 19.919 -4.839 -1.559 1.00 0.00 H new ATOM 1120 N ALA A 83 15.329 -2.219 -1.224 1.00 0.00 N ATOM 1121 CA ALA A 83 14.312 -1.423 -1.883 1.00 0.00 C ATOM 1122 C ALA A 83 13.972 -0.204 -1.038 1.00 0.00 C ATOM 1123 O ALA A 83 13.703 0.875 -1.564 1.00 0.00 O ATOM 1124 CB ALA A 83 13.070 -2.258 -2.151 1.00 0.00 C ATOM 0 H ALA A 83 15.001 -3.120 -0.876 1.00 0.00 H new ATOM 0 HA ALA A 83 14.702 -1.081 -2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.318 -1.643 -2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.329 -3.100 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.671 -2.630 -1.207 1.00 0.00 H new ATOM 1130 N MET A 84 14.007 -0.383 0.281 1.00 0.00 N ATOM 1131 CA MET A 84 13.723 0.706 1.203 1.00 0.00 C ATOM 1132 C MET A 84 14.851 1.727 1.162 1.00 0.00 C ATOM 1133 O MET A 84 14.630 2.919 1.370 1.00 0.00 O ATOM 1134 CB MET A 84 13.529 0.180 2.624 1.00 0.00 C ATOM 1135 CG MET A 84 12.092 0.300 3.109 1.00 0.00 C ATOM 1136 SD MET A 84 11.751 -0.706 4.567 1.00 0.00 S ATOM 1137 CE MET A 84 12.571 -2.231 4.125 1.00 0.00 C ATOM 0 H MET A 84 14.229 -1.271 0.731 1.00 0.00 H new ATOM 0 HA MET A 84 12.796 1.189 0.894 1.00 0.00 H new ATOM 0 HB2 MET A 84 13.834 -0.866 2.664 1.00 0.00 H new ATOM 0 HB3 MET A 84 14.183 0.729 3.302 1.00 0.00 H new ATOM 0 HG2 MET A 84 11.878 1.344 3.337 1.00 0.00 H new ATOM 0 HG3 MET A 84 11.418 0.005 2.305 1.00 0.00 H new ATOM 0 HE1 MET A 84 12.044 -3.072 4.577 1.00 0.00 H new ATOM 0 HE2 MET A 84 12.571 -2.343 3.041 1.00 0.00 H new ATOM 0 HE3 MET A 84 13.599 -2.210 4.487 1.00 0.00 H new ATOM 1147 N GLU A 85 16.056 1.250 0.863 1.00 0.00 N ATOM 1148 CA GLU A 85 17.219 2.116 0.761 1.00 0.00 C ATOM 1149 C GLU A 85 17.187 2.843 -0.575 1.00 0.00 C ATOM 1150 O GLU A 85 17.509 4.027 -0.667 1.00 0.00 O ATOM 1151 CB GLU A 85 18.507 1.293 0.893 1.00 0.00 C ATOM 1152 CG GLU A 85 19.756 2.000 0.381 1.00 0.00 C ATOM 1153 CD GLU A 85 20.206 3.124 1.294 1.00 0.00 C ATOM 1154 OE1 GLU A 85 19.336 3.887 1.768 1.00 0.00 O ATOM 1155 OE2 GLU A 85 21.426 3.245 1.532 1.00 0.00 O ATOM 0 H GLU A 85 16.249 0.264 0.687 1.00 0.00 H new ATOM 0 HA GLU A 85 17.198 2.848 1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.654 1.035 1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.384 0.357 0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 85 20.563 1.275 0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.560 2.401 -0.613 1.00 0.00 H new ATOM 1162 N THR A 86 16.780 2.115 -1.609 1.00 0.00 N ATOM 1163 CA THR A 86 16.685 2.669 -2.949 1.00 0.00 C ATOM 1164 C THR A 86 15.675 3.811 -2.973 1.00 0.00 C ATOM 1165 O THR A 86 15.881 4.820 -3.643 1.00 0.00 O ATOM 1166 CB THR A 86 16.288 1.569 -3.942 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.420 0.805 -4.318 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.647 2.087 -5.213 1.00 0.00 C ATOM 0 H THR A 86 16.510 1.134 -1.541 1.00 0.00 H new ATOM 0 HA THR A 86 17.657 3.066 -3.243 1.00 0.00 H new ATOM 0 HB THR A 86 15.551 0.966 -3.411 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.619 0.149 -3.618 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.396 1.248 -5.862 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.740 2.638 -4.965 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.343 2.748 -5.728 1.00 0.00 H new ATOM 1176 N LEU A 87 14.594 3.657 -2.217 1.00 0.00 N ATOM 1177 CA LEU A 87 13.578 4.695 -2.137 1.00 0.00 C ATOM 1178 C LEU A 87 14.063 5.796 -1.209 1.00 0.00 C ATOM 1179 O LEU A 87 13.777 6.973 -1.414 1.00 0.00 O ATOM 1180 CB LEU A 87 12.231 4.136 -1.665 1.00 0.00 C ATOM 1181 CG LEU A 87 12.262 3.298 -0.387 1.00 0.00 C ATOM 1182 CD1 LEU A 87 12.141 4.189 0.839 1.00 0.00 C ATOM 1183 CD2 LEU A 87 11.143 2.268 -0.413 1.00 0.00 C ATOM 0 H LEU A 87 14.401 2.828 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 87 13.418 5.103 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.548 4.971 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.813 3.526 -2.466 1.00 0.00 H new ATOM 0 HG LEU A 87 13.217 2.775 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.165 3.575 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.971 4.895 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.200 4.737 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.173 1.675 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.182 2.777 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.272 1.613 -1.274 1.00 0.00 H new ATOM 1195 N ARG A 88 14.817 5.390 -0.193 1.00 0.00 N ATOM 1196 CA ARG A 88 15.380 6.316 0.778 1.00 0.00 C ATOM 1197 C ARG A 88 16.290 7.329 0.091 1.00 0.00 C ATOM 1198 O ARG A 88 16.146 8.538 0.272 1.00 0.00 O ATOM 1199 CB ARG A 88 16.168 5.532 1.826 1.00 0.00 C ATOM 1200 CG ARG A 88 15.698 5.778 3.248 1.00 0.00 C ATOM 1201 CD ARG A 88 16.751 5.359 4.263 1.00 0.00 C ATOM 1202 NE ARG A 88 17.817 6.350 4.385 1.00 0.00 N ATOM 1203 CZ ARG A 88 18.661 6.408 5.413 1.00 0.00 C ATOM 1204 NH1 ARG A 88 18.565 5.535 6.408 1.00 0.00 N ATOM 1205 NH2 ARG A 88 19.604 7.339 5.445 1.00 0.00 N ATOM 0 H ARG A 88 15.053 4.413 -0.021 1.00 0.00 H new ATOM 0 HA ARG A 88 14.568 6.859 1.261 1.00 0.00 H new ATOM 0 HB2 ARG A 88 16.091 4.467 1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.222 5.797 1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.466 6.835 3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.776 5.225 3.429 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.280 5.212 5.235 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.179 4.401 3.968 1.00 0.00 H new ATOM 0 HE ARG A 88 17.921 7.038 3.639 1.00 0.00 H new ATOM 0 HH11 ARG A 88 17.842 4.816 6.387 1.00 0.00 H new ATOM 0 HH12 ARG A 88 19.214 5.583 7.193 1.00 0.00 H new ATOM 0 HH21 ARG A 88 19.683 8.011 4.682 1.00 0.00 H new ATOM 0 HH22 ARG A 88 20.250 7.383 6.233 1.00 0.00 H new ATOM 1219 N ARG A 89 17.230 6.822 -0.695 1.00 0.00 N ATOM 1220 CA ARG A 89 18.168 7.675 -1.410 1.00 0.00 C ATOM 1221 C ARG A 89 17.472 8.388 -2.573 1.00 0.00 C ATOM 1222 O ARG A 89 17.785 9.537 -2.883 1.00 0.00 O ATOM 1223 CB ARG A 89 19.369 6.841 -1.889 1.00 0.00 C ATOM 1224 CG ARG A 89 19.629 6.882 -3.387 1.00 0.00 C ATOM 1225 CD ARG A 89 18.733 5.901 -4.113 1.00 0.00 C ATOM 1226 NE ARG A 89 18.498 6.291 -5.503 1.00 0.00 N ATOM 1227 CZ ARG A 89 19.361 6.068 -6.491 1.00 0.00 C ATOM 1228 NH1 ARG A 89 20.517 5.462 -6.249 1.00 0.00 N ATOM 1229 NH2 ARG A 89 19.067 6.451 -7.726 1.00 0.00 N ATOM 0 H ARG A 89 17.363 5.823 -0.853 1.00 0.00 H new ATOM 0 HA ARG A 89 18.539 8.447 -0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.263 7.190 -1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.213 5.804 -1.592 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.454 7.890 -3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.674 6.644 -3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 89 19.186 4.910 -4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.779 5.829 -3.591 1.00 0.00 H new ATOM 0 HE ARG A 89 17.621 6.761 -5.728 1.00 0.00 H new ATOM 0 HH11 ARG A 89 20.748 5.164 -5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 89 21.174 5.294 -7.011 1.00 0.00 H new ATOM 0 HH21 ARG A 89 18.180 6.916 -7.918 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.728 6.280 -8.484 1.00 0.00 H new ATOM 1243 N SER A 90 16.528 7.704 -3.209 1.00 0.00 N ATOM 1244 CA SER A 90 15.796 8.281 -4.331 1.00 0.00 C ATOM 1245 C SER A 90 14.807 9.339 -3.851 1.00 0.00 C ATOM 1246 O SER A 90 14.503 10.290 -4.569 1.00 0.00 O ATOM 1247 CB SER A 90 15.059 7.189 -5.107 1.00 0.00 C ATOM 1248 OG SER A 90 14.725 7.628 -6.412 1.00 0.00 O ATOM 0 H SER A 90 16.252 6.752 -2.968 1.00 0.00 H new ATOM 0 HA SER A 90 16.518 8.759 -4.993 1.00 0.00 H new ATOM 0 HB2 SER A 90 15.683 6.298 -5.168 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.152 6.907 -4.572 1.00 0.00 H new ATOM 0 HG SER A 90 15.375 7.272 -7.053 1.00 0.00 H new ATOM 1254 N MET A 91 14.309 9.164 -2.633 1.00 0.00 N ATOM 1255 CA MET A 91 13.354 10.102 -2.054 1.00 0.00 C ATOM 1256 C MET A 91 14.065 11.222 -1.301 1.00 0.00 C ATOM 1257 O MET A 91 13.470 12.262 -1.019 1.00 0.00 O ATOM 1258 CB MET A 91 12.394 9.370 -1.115 1.00 0.00 C ATOM 1259 CG MET A 91 13.012 8.965 0.214 1.00 0.00 C ATOM 1260 SD MET A 91 12.144 7.587 0.989 1.00 0.00 S ATOM 1261 CE MET A 91 10.459 7.943 0.513 1.00 0.00 C ATOM 0 H MET A 91 14.551 8.381 -2.026 1.00 0.00 H new ATOM 0 HA MET A 91 12.787 10.548 -2.871 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.533 10.010 -0.923 1.00 0.00 H new ATOM 0 HB3 MET A 91 12.022 8.477 -1.617 1.00 0.00 H new ATOM 0 HG2 MET A 91 14.055 8.691 0.057 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.005 9.820 0.890 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.774 7.433 1.190 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.286 9.018 0.563 1.00 0.00 H new ATOM 0 HE3 MET A 91 10.288 7.595 -0.506 1.00 0.00 H new ATOM 1271 N SER A 92 15.331 11.001 -0.959 1.00 0.00 N ATOM 1272 CA SER A 92 16.099 11.998 -0.217 1.00 0.00 C ATOM 1273 C SER A 92 17.379 12.405 -0.944 1.00 0.00 C ATOM 1274 O SER A 92 18.368 12.767 -0.308 1.00 0.00 O ATOM 1275 CB SER A 92 16.446 11.460 1.172 1.00 0.00 C ATOM 1276 OG SER A 92 16.194 12.431 2.174 1.00 0.00 O ATOM 0 H SER A 92 15.844 10.148 -1.181 1.00 0.00 H new ATOM 0 HA SER A 92 15.474 12.887 -0.129 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.860 10.563 1.375 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.496 11.168 1.200 1.00 0.00 H new ATOM 0 HG SER A 92 16.423 12.062 3.052 1.00 0.00 H new ATOM 1282 N THR A 93 17.367 12.350 -2.274 1.00 0.00 N ATOM 1283 CA THR A 93 18.548 12.724 -3.047 1.00 0.00 C ATOM 1284 C THR A 93 18.213 13.010 -4.513 1.00 0.00 C ATOM 1285 O THR A 93 18.883 13.817 -5.156 1.00 0.00 O ATOM 1286 CB THR A 93 19.608 11.623 -2.931 1.00 0.00 C ATOM 1287 OG1 THR A 93 20.832 12.156 -2.460 1.00 0.00 O ATOM 1288 CG2 THR A 93 19.899 10.890 -4.226 1.00 0.00 C ATOM 0 H THR A 93 16.566 12.055 -2.832 1.00 0.00 H new ATOM 0 HA THR A 93 18.944 13.651 -2.632 1.00 0.00 H new ATOM 0 HB THR A 93 19.180 10.906 -2.231 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.496 11.439 -2.391 1.00 0.00 H new ATOM 0 HG21 THR A 93 20.660 10.130 -4.051 1.00 0.00 H new ATOM 0 HG22 THR A 93 18.987 10.414 -4.588 1.00 0.00 H new ATOM 0 HG23 THR A 93 20.259 11.598 -4.972 1.00 0.00 H new ATOM 1296 N GLU A 94 17.191 12.346 -5.042 1.00 0.00 N ATOM 1297 CA GLU A 94 16.798 12.542 -6.433 1.00 0.00 C ATOM 1298 C GLU A 94 15.391 13.118 -6.532 1.00 0.00 C ATOM 1299 O GLU A 94 15.141 14.047 -7.299 1.00 0.00 O ATOM 1300 CB GLU A 94 16.880 11.222 -7.198 1.00 0.00 C ATOM 1301 CG GLU A 94 18.189 10.483 -6.983 1.00 0.00 C ATOM 1302 CD GLU A 94 18.637 9.718 -8.212 1.00 0.00 C ATOM 1303 OE1 GLU A 94 17.856 8.874 -8.702 1.00 0.00 O ATOM 1304 OE2 GLU A 94 19.766 9.962 -8.685 1.00 0.00 O ATOM 0 H GLU A 94 16.622 11.670 -4.532 1.00 0.00 H new ATOM 0 HA GLU A 94 17.489 13.256 -6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.054 10.580 -6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.752 11.419 -8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.963 11.197 -6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.078 9.790 -6.149 1.00 0.00 H new ATOM 1311 N GLY A 95 14.479 12.563 -5.748 1.00 0.00 N ATOM 1312 CA GLY A 95 13.107 13.036 -5.755 1.00 0.00 C ATOM 1313 C GLY A 95 12.981 14.411 -5.138 1.00 0.00 C ATOM 1314 O GLY A 95 12.113 15.197 -5.516 1.00 0.00 O ATOM 0 H GLY A 95 14.663 11.792 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.738 13.063 -6.780 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.478 12.334 -5.208 1.00 0.00 H new ATOM 1318 N ASN A 96 13.861 14.703 -4.187 1.00 0.00 N ATOM 1319 CA ASN A 96 13.863 15.992 -3.515 1.00 0.00 C ATOM 1320 C ASN A 96 14.480 17.057 -4.420 1.00 0.00 C ATOM 1321 O ASN A 96 14.055 18.212 -4.417 1.00 0.00 O ATOM 1322 CB ASN A 96 14.632 15.885 -2.188 1.00 0.00 C ATOM 1323 CG ASN A 96 15.184 17.212 -1.701 1.00 0.00 C ATOM 1324 OD1 ASN A 96 16.283 17.278 -1.152 1.00 0.00 O ATOM 1325 ND2 ASN A 96 14.420 18.278 -1.900 1.00 0.00 N ATOM 0 H ASN A 96 14.584 14.060 -3.865 1.00 0.00 H new ATOM 0 HA ASN A 96 12.836 16.287 -3.297 1.00 0.00 H new ATOM 0 HB2 ASN A 96 13.970 15.474 -1.426 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.455 15.181 -2.310 1.00 0.00 H new ATOM 0 HD21 ASN A 96 14.738 19.198 -1.593 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.515 18.178 -2.360 1.00 0.00 H new ATOM 1332 N LYS A 97 15.481 16.651 -5.198 1.00 0.00 N ATOM 1333 CA LYS A 97 16.164 17.558 -6.119 1.00 0.00 C ATOM 1334 C LYS A 97 15.174 18.458 -6.851 1.00 0.00 C ATOM 1335 O LYS A 97 15.422 19.649 -7.044 1.00 0.00 O ATOM 1336 CB LYS A 97 16.982 16.761 -7.120 1.00 0.00 C ATOM 1337 CG LYS A 97 18.323 16.341 -6.562 1.00 0.00 C ATOM 1338 CD LYS A 97 19.134 15.585 -7.587 1.00 0.00 C ATOM 1339 CE LYS A 97 19.694 16.517 -8.645 1.00 0.00 C ATOM 1340 NZ LYS A 97 21.025 16.067 -9.137 1.00 0.00 N ATOM 0 H LYS A 97 15.839 15.696 -5.209 1.00 0.00 H new ATOM 0 HA LYS A 97 16.827 18.195 -5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.422 15.875 -7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.136 17.359 -8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.876 17.222 -6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.173 15.716 -5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.951 15.061 -7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.510 14.827 -8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.998 16.574 -9.482 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.781 17.522 -8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 21.371 16.731 -9.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 21.696 16.037 -8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 20.938 15.118 -9.554 1.00 0.00 H new ATOM 1354 N ARG A 98 14.046 17.880 -7.244 1.00 0.00 N ATOM 1355 CA ARG A 98 13.006 18.624 -7.941 1.00 0.00 C ATOM 1356 C ARG A 98 11.952 19.119 -6.957 1.00 0.00 C ATOM 1357 O ARG A 98 11.275 20.117 -7.206 1.00 0.00 O ATOM 1358 CB ARG A 98 12.354 17.750 -9.013 1.00 0.00 C ATOM 1359 CG ARG A 98 11.851 16.420 -8.483 1.00 0.00 C ATOM 1360 CD ARG A 98 12.567 15.249 -9.139 1.00 0.00 C ATOM 1361 NE ARG A 98 11.703 14.078 -9.262 1.00 0.00 N ATOM 1362 CZ ARG A 98 11.984 13.027 -10.029 1.00 0.00 C ATOM 1363 NH1 ARG A 98 13.106 12.995 -10.738 1.00 0.00 N ATOM 1364 NH2 ARG A 98 11.144 12.002 -10.085 1.00 0.00 N ATOM 0 H ARG A 98 13.828 16.895 -7.091 1.00 0.00 H new ATOM 0 HA ARG A 98 13.466 19.487 -8.423 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.521 18.294 -9.457 1.00 0.00 H new ATOM 0 HB3 ARG A 98 13.075 17.566 -9.809 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.998 16.379 -7.404 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.779 16.338 -8.662 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.917 15.546 -10.127 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.449 14.989 -8.553 1.00 0.00 H new ATOM 0 HE ARG A 98 10.833 14.065 -8.729 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.758 13.778 -10.697 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.316 12.187 -11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.282 12.019 -9.540 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.360 11.197 -10.673 1.00 0.00 H new ATOM 1378 N GLY A 99 11.822 18.417 -5.835 1.00 0.00 N ATOM 1379 CA GLY A 99 10.853 18.798 -4.825 1.00 0.00 C ATOM 1380 C GLY A 99 9.792 17.737 -4.594 1.00 0.00 C ATOM 1381 O GLY A 99 8.934 17.898 -3.729 1.00 0.00 O ATOM 0 H GLY A 99 12.373 17.589 -5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.372 18.996 -3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.370 19.728 -5.125 1.00 0.00 H new ATOM 1385 N MET A 100 9.847 16.655 -5.370 1.00 0.00 N ATOM 1386 CA MET A 100 8.879 15.573 -5.242 1.00 0.00 C ATOM 1387 C MET A 100 9.404 14.287 -5.873 1.00 0.00 C ATOM 1388 O MET A 100 10.097 14.319 -6.891 1.00 0.00 O ATOM 1389 CB MET A 100 7.564 15.973 -5.903 1.00 0.00 C ATOM 1390 CG MET A 100 7.718 16.341 -7.370 1.00 0.00 C ATOM 1391 SD MET A 100 6.661 15.367 -8.454 1.00 0.00 S ATOM 1392 CE MET A 100 7.569 13.823 -8.503 1.00 0.00 C ATOM 0 H MET A 100 10.552 16.507 -6.092 1.00 0.00 H new ATOM 0 HA MET A 100 8.713 15.389 -4.180 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.855 15.150 -5.814 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.138 16.820 -5.366 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.487 17.398 -7.500 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.758 16.204 -7.666 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.144 13.175 -9.269 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.615 14.023 -8.736 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.502 13.330 -7.533 1.00 0.00 H new ATOM 1402 N ILE A 101 9.074 13.158 -5.256 1.00 0.00 N ATOM 1403 CA ILE A 101 9.511 11.856 -5.742 1.00 0.00 C ATOM 1404 C ILE A 101 8.335 11.034 -6.272 1.00 0.00 C ATOM 1405 O ILE A 101 7.231 11.092 -5.731 1.00 0.00 O ATOM 1406 CB ILE A 101 10.246 11.063 -4.629 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.559 9.722 -4.347 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.341 11.883 -3.349 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.191 8.948 -3.214 1.00 0.00 C ATOM 0 H ILE A 101 8.501 13.119 -4.413 1.00 0.00 H new ATOM 0 HA ILE A 101 10.205 12.036 -6.563 1.00 0.00 H new ATOM 0 HB ILE A 101 11.254 10.858 -4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.510 9.902 -4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.584 9.113 -5.251 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.860 11.305 -2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.892 12.802 -3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.338 12.129 -2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.654 8.010 -3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.233 8.736 -3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.143 9.538 -2.299 1.00 0.00 H new ATOM 1421 N GLN A 102 8.590 10.249 -7.316 1.00 0.00 N ATOM 1422 CA GLN A 102 7.561 9.392 -7.901 1.00 0.00 C ATOM 1423 C GLN A 102 7.374 8.152 -7.032 1.00 0.00 C ATOM 1424 O GLN A 102 8.311 7.714 -6.364 1.00 0.00 O ATOM 1425 CB GLN A 102 7.948 8.987 -9.325 1.00 0.00 C ATOM 1426 CG GLN A 102 6.842 8.258 -10.074 1.00 0.00 C ATOM 1427 CD GLN A 102 7.258 6.870 -10.528 1.00 0.00 C ATOM 1428 OE1 GLN A 102 6.963 6.458 -11.650 1.00 0.00 O ATOM 1429 NE2 GLN A 102 7.945 6.143 -9.654 1.00 0.00 N ATOM 0 H GLN A 102 9.499 10.188 -7.774 1.00 0.00 H new ATOM 0 HA GLN A 102 6.622 9.944 -7.945 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.226 9.880 -9.885 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.830 8.348 -9.285 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.965 8.178 -9.431 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.548 8.847 -10.943 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.167 6.526 -8.735 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.251 5.202 -9.902 1.00 0.00 H new ATOM 1438 N LEU A 103 6.170 7.594 -7.020 1.00 0.00 N ATOM 1439 CA LEU A 103 5.899 6.422 -6.198 1.00 0.00 C ATOM 1440 C LEU A 103 4.886 5.482 -6.840 1.00 0.00 C ATOM 1441 O LEU A 103 3.709 5.813 -6.969 1.00 0.00 O ATOM 1442 CB LEU A 103 5.386 6.859 -4.829 1.00 0.00 C ATOM 1443 CG LEU A 103 6.462 7.040 -3.762 1.00 0.00 C ATOM 1444 CD1 LEU A 103 6.193 8.290 -2.944 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.530 5.812 -2.868 1.00 0.00 C ATOM 0 H LEU A 103 5.374 7.929 -7.563 1.00 0.00 H new ATOM 0 HA LEU A 103 6.837 5.876 -6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.848 7.800 -4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.666 6.121 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 103 7.427 7.158 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.970 8.404 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.194 9.161 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.222 8.204 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.302 5.955 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.567 5.663 -2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.770 4.936 -3.471 1.00 0.00 H new ATOM 1457 N ILE A 104 5.346 4.294 -7.209 1.00 0.00 N ATOM 1458 CA ILE A 104 4.474 3.291 -7.800 1.00 0.00 C ATOM 1459 C ILE A 104 4.219 2.173 -6.796 1.00 0.00 C ATOM 1460 O ILE A 104 5.134 1.437 -6.430 1.00 0.00 O ATOM 1461 CB ILE A 104 5.082 2.697 -9.085 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.459 3.813 -10.058 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.105 1.727 -9.735 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.422 3.373 -11.139 1.00 0.00 C ATOM 0 H ILE A 104 6.318 4.002 -7.109 1.00 0.00 H new ATOM 0 HA ILE A 104 3.535 3.779 -8.062 1.00 0.00 H new ATOM 0 HB ILE A 104 5.986 2.148 -8.822 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.553 4.198 -10.525 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.904 4.636 -9.499 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.549 1.316 -10.642 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.881 0.917 -9.041 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.184 2.253 -9.988 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.645 4.216 -11.793 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.344 3.015 -10.681 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.971 2.570 -11.723 1.00 0.00 H new ATOM 1476 N VAL A 105 2.977 2.063 -6.340 1.00 0.00 N ATOM 1477 CA VAL A 105 2.615 1.045 -5.361 1.00 0.00 C ATOM 1478 C VAL A 105 1.486 0.157 -5.870 1.00 0.00 C ATOM 1479 O VAL A 105 0.996 0.334 -6.984 1.00 0.00 O ATOM 1480 CB VAL A 105 2.186 1.688 -4.027 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.292 2.576 -3.484 1.00 0.00 C ATOM 1482 CG2 VAL A 105 0.897 2.479 -4.198 1.00 0.00 C ATOM 0 H VAL A 105 2.206 2.664 -6.631 1.00 0.00 H new ATOM 0 HA VAL A 105 3.502 0.432 -5.200 1.00 0.00 H new ATOM 0 HB VAL A 105 2.001 0.890 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.972 3.021 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.189 1.979 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.511 3.366 -4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.614 2.924 -3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.049 3.268 -4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.104 1.813 -4.538 1.00 0.00 H new ATOM 1492 N ALA A 106 1.077 -0.796 -5.042 1.00 0.00 N ATOM 1493 CA ALA A 106 0.001 -1.711 -5.394 1.00 0.00 C ATOM 1494 C ALA A 106 -0.784 -2.115 -4.151 1.00 0.00 C ATOM 1495 O ALA A 106 -0.200 -2.474 -3.129 1.00 0.00 O ATOM 1496 CB ALA A 106 0.557 -2.936 -6.101 1.00 0.00 C ATOM 0 H ALA A 106 1.477 -0.955 -4.117 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.679 -1.201 -6.076 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.260 -3.610 -6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.073 -2.628 -7.011 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.258 -3.449 -5.443 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.108 -2.049 -4.239 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.959 -2.404 -3.108 1.00 0.00 C ATOM 1504 C ARG A 107 -4.301 -2.954 -3.573 1.00 0.00 C ATOM 1505 O ARG A 107 -4.554 -3.077 -4.771 1.00 0.00 O ATOM 1506 CB ARG A 107 -3.179 -1.193 -2.198 1.00 0.00 C ATOM 1507 CG ARG A 107 -3.340 0.116 -2.950 1.00 0.00 C ATOM 1508 CD ARG A 107 -4.747 0.273 -3.509 1.00 0.00 C ATOM 1509 NE ARG A 107 -5.507 1.300 -2.800 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.594 1.892 -3.292 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -7.049 1.566 -4.497 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.228 2.810 -2.576 1.00 0.00 N ATOM 0 H ARG A 107 -2.613 -1.755 -5.075 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.447 -3.184 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.067 -1.364 -1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.335 -1.107 -1.513 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.118 0.949 -2.283 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.617 0.159 -3.765 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.690 0.530 -4.567 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.273 -0.679 -3.440 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.186 1.580 -1.873 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.565 0.859 -5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.882 2.023 -4.868 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.883 3.062 -1.650 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.061 3.264 -2.951 1.00 0.00 H new ATOM 1526 N ARG A 108 -5.159 -3.283 -2.611 1.00 0.00 N ATOM 1527 CA ARG A 108 -6.478 -3.823 -2.912 1.00 0.00 C ATOM 1528 C ARG A 108 -7.449 -2.709 -3.286 1.00 0.00 C ATOM 1529 O ARG A 108 -7.425 -1.627 -2.700 1.00 0.00 O ATOM 1530 CB ARG A 108 -7.017 -4.605 -1.711 1.00 0.00 C ATOM 1531 CG ARG A 108 -6.776 -6.104 -1.799 1.00 0.00 C ATOM 1532 CD ARG A 108 -5.312 -6.425 -2.050 1.00 0.00 C ATOM 1533 NE ARG A 108 -4.538 -6.452 -0.812 1.00 0.00 N ATOM 1534 CZ ARG A 108 -3.222 -6.258 -0.751 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -2.524 -6.030 -1.859 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -2.600 -6.296 0.419 1.00 0.00 N ATOM 0 H ARG A 108 -4.962 -3.184 -1.615 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.383 -4.497 -3.763 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.551 -4.224 -0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -8.088 -4.423 -1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.099 -6.579 -0.873 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.383 -6.524 -2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.233 -7.391 -2.548 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.889 -5.682 -2.726 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.036 -6.631 0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -2.996 -6.003 -2.763 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -1.516 -5.882 -1.806 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.129 -6.474 1.273 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -1.592 -6.147 0.466 1.00 0.00 H new ATOM 1550 N ILE A 109 -8.302 -2.983 -4.267 1.00 0.00 N ATOM 1551 CA ILE A 109 -9.282 -2.007 -4.721 1.00 0.00 C ATOM 1552 C ILE A 109 -10.404 -1.846 -3.704 1.00 0.00 C ATOM 1553 O ILE A 109 -10.872 -0.736 -3.448 1.00 0.00 O ATOM 1554 CB ILE A 109 -9.886 -2.415 -6.080 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -8.771 -2.719 -7.083 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -10.798 -1.317 -6.609 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -9.226 -3.566 -8.250 1.00 0.00 C ATOM 0 H ILE A 109 -8.333 -3.874 -4.762 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.760 -1.057 -4.834 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.483 -3.316 -5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.367 -1.780 -7.461 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -7.958 -3.231 -6.567 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.216 -1.622 -7.569 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.607 -1.143 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.225 -0.399 -6.738 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.385 -3.743 -8.921 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.603 -4.520 -7.882 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -10.018 -3.047 -8.790 1.00 0.00 H new ATOM 1569 N SER A 110 -10.831 -2.962 -3.123 1.00 0.00 N ATOM 1570 CA SER A 110 -11.898 -2.949 -2.128 1.00 0.00 C ATOM 1571 C SER A 110 -13.169 -2.328 -2.698 1.00 0.00 C ATOM 1572 O SER A 110 -13.374 -1.118 -2.610 1.00 0.00 O ATOM 1573 CB SER A 110 -11.453 -2.179 -0.884 1.00 0.00 C ATOM 1574 OG SER A 110 -12.378 -2.345 0.177 1.00 0.00 O ATOM 0 H SER A 110 -10.454 -3.888 -3.324 1.00 0.00 H new ATOM 0 HA SER A 110 -12.114 -3.981 -1.851 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.469 -2.527 -0.570 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.356 -1.120 -1.123 1.00 0.00 H new ATOM 0 HG SER A 110 -12.070 -1.844 0.961 1.00 0.00 H new TER 1580 SER A 110 ATOM 1581 N ASP B 3 2.795 -13.234 6.820 1.00 0.00 N ATOM 1582 CA ASP B 3 3.981 -13.568 6.040 1.00 0.00 C ATOM 1583 C ASP B 3 5.167 -12.702 6.457 1.00 0.00 C ATOM 1584 O ASP B 3 5.903 -12.188 5.614 1.00 0.00 O ATOM 1585 CB ASP B 3 3.702 -13.387 4.546 1.00 0.00 C ATOM 1586 CG ASP B 3 2.456 -14.126 4.095 1.00 0.00 C ATOM 1587 OD1 ASP B 3 1.813 -14.781 4.942 1.00 0.00 O ATOM 1588 OD2 ASP B 3 2.123 -14.048 2.894 1.00 0.00 O ATOM 0 HA ASP B 3 4.231 -14.612 6.232 1.00 0.00 H new ATOM 0 HB2 ASP B 3 3.590 -12.325 4.326 1.00 0.00 H new ATOM 0 HB3 ASP B 3 4.559 -13.743 3.974 1.00 0.00 H new ATOM 1593 N GLU B 4 5.345 -12.545 7.765 1.00 0.00 N ATOM 1594 CA GLU B 4 6.440 -11.741 8.296 1.00 0.00 C ATOM 1595 C GLU B 4 7.563 -12.632 8.819 1.00 0.00 C ATOM 1596 O GLU B 4 7.398 -13.844 8.953 1.00 0.00 O ATOM 1597 CB GLU B 4 5.932 -10.825 9.413 1.00 0.00 C ATOM 1598 CG GLU B 4 5.914 -9.353 9.032 1.00 0.00 C ATOM 1599 CD GLU B 4 4.738 -8.611 9.633 1.00 0.00 C ATOM 1600 OE1 GLU B 4 3.597 -8.835 9.174 1.00 0.00 O ATOM 1601 OE2 GLU B 4 4.956 -7.803 10.559 1.00 0.00 O ATOM 0 H GLU B 4 4.745 -12.964 8.476 1.00 0.00 H new ATOM 0 HA GLU B 4 6.836 -11.127 7.487 1.00 0.00 H new ATOM 0 HB2 GLU B 4 4.924 -11.132 9.693 1.00 0.00 H new ATOM 0 HB3 GLU B 4 6.561 -10.956 10.293 1.00 0.00 H new ATOM 0 HG2 GLU B 4 6.841 -8.885 9.362 1.00 0.00 H new ATOM 0 HG3 GLU B 4 5.880 -9.263 7.946 1.00 0.00 H new ATOM 1608 N ASP B 5 8.706 -12.019 9.117 1.00 0.00 N ATOM 1609 CA ASP B 5 9.856 -12.756 9.627 1.00 0.00 C ATOM 1610 C ASP B 5 9.998 -12.559 11.133 1.00 0.00 C ATOM 1611 O ASP B 5 11.108 -12.471 11.656 1.00 0.00 O ATOM 1612 CB ASP B 5 11.134 -12.300 8.918 1.00 0.00 C ATOM 1613 CG ASP B 5 12.075 -13.450 8.619 1.00 0.00 C ATOM 1614 OD1 ASP B 5 11.736 -14.282 7.750 1.00 0.00 O ATOM 1615 OD2 ASP B 5 13.147 -13.521 9.253 1.00 0.00 O ATOM 0 H ASP B 5 8.859 -11.016 9.014 1.00 0.00 H new ATOM 0 HA ASP B 5 9.698 -13.816 9.429 1.00 0.00 H new ATOM 0 HB2 ASP B 5 10.870 -11.800 7.986 1.00 0.00 H new ATOM 0 HB3 ASP B 5 11.648 -11.566 9.539 1.00 0.00 H new ATOM 1620 N GLN B 6 8.864 -12.487 11.824 1.00 0.00 N ATOM 1621 CA GLN B 6 8.858 -12.298 13.271 1.00 0.00 C ATOM 1622 C GLN B 6 9.464 -10.949 13.642 1.00 0.00 C ATOM 1623 O GLN B 6 10.555 -10.605 13.190 1.00 0.00 O ATOM 1624 CB GLN B 6 9.627 -13.426 13.962 1.00 0.00 C ATOM 1625 CG GLN B 6 9.072 -14.810 13.668 1.00 0.00 C ATOM 1626 CD GLN B 6 9.352 -15.263 12.250 1.00 0.00 C ATOM 1627 OE1 GLN B 6 10.485 -15.188 11.773 1.00 0.00 O ATOM 1628 NE2 GLN B 6 8.318 -15.735 11.564 1.00 0.00 N ATOM 0 H GLN B 6 7.937 -12.557 11.405 1.00 0.00 H new ATOM 0 HA GLN B 6 7.823 -12.319 13.611 1.00 0.00 H new ATOM 0 HB2 GLN B 6 10.670 -13.388 13.649 1.00 0.00 H new ATOM 0 HB3 GLN B 6 9.611 -13.259 15.039 1.00 0.00 H new ATOM 0 HG2 GLN B 6 9.505 -15.526 14.366 1.00 0.00 H new ATOM 0 HG3 GLN B 6 7.995 -14.809 13.839 1.00 0.00 H new ATOM 0 HE21 GLN B 6 7.396 -15.780 11.998 1.00 0.00 H new ATOM 0 HE22 GLN B 6 8.446 -16.053 10.603 1.00 0.00 H new ATOM 1637 N HIS B 7 8.745 -10.189 14.465 1.00 0.00 N ATOM 1638 CA HIS B 7 9.202 -8.871 14.902 1.00 0.00 C ATOM 1639 C HIS B 7 9.215 -7.878 13.741 1.00 0.00 C ATOM 1640 O HIS B 7 8.482 -6.891 13.752 1.00 0.00 O ATOM 1641 CB HIS B 7 10.597 -8.962 15.529 1.00 0.00 C ATOM 1642 CG HIS B 7 10.639 -9.795 16.772 1.00 0.00 C ATOM 1643 ND1 HIS B 7 10.771 -9.256 18.035 1.00 0.00 N ATOM 1644 CD2 HIS B 7 10.566 -11.136 16.943 1.00 0.00 C ATOM 1645 CE1 HIS B 7 10.777 -10.229 18.928 1.00 0.00 C ATOM 1646 NE2 HIS B 7 10.653 -11.379 18.292 1.00 0.00 N ATOM 0 H HIS B 7 7.839 -10.465 14.844 1.00 0.00 H new ATOM 0 HA HIS B 7 8.500 -8.511 15.654 1.00 0.00 H new ATOM 0 HB2 HIS B 7 11.289 -9.380 14.798 1.00 0.00 H new ATOM 0 HB3 HIS B 7 10.948 -7.957 15.763 1.00 0.00 H new ATOM 0 HD2 HIS B 7 10.459 -11.876 16.164 1.00 0.00 H new ATOM 0 HE1 HIS B 7 10.868 -10.105 19.997 1.00 0.00 H new ATOM 0 HE2 HIS B 7 10.626 -12.299 18.731 1.00 0.00 H new ATOM 1655 N SER B 8 10.052 -8.146 12.742 1.00 0.00 N ATOM 1656 CA SER B 8 10.159 -7.275 11.573 1.00 0.00 C ATOM 1657 C SER B 8 10.850 -5.961 11.938 1.00 0.00 C ATOM 1658 O SER B 8 11.594 -5.895 12.917 1.00 0.00 O ATOM 1659 CB SER B 8 8.771 -7.002 10.981 1.00 0.00 C ATOM 1660 OG SER B 8 7.841 -7.996 11.375 1.00 0.00 O ATOM 0 H SER B 8 10.667 -8.960 12.718 1.00 0.00 H new ATOM 0 HA SER B 8 10.765 -7.783 10.822 1.00 0.00 H new ATOM 0 HB2 SER B 8 8.420 -6.023 11.306 1.00 0.00 H new ATOM 0 HB3 SER B 8 8.836 -6.972 9.893 1.00 0.00 H new ATOM 0 HG SER B 8 6.938 -7.724 11.106 1.00 0.00 H new ATOM 1666 N GLN B 9 10.602 -4.919 11.148 1.00 0.00 N ATOM 1667 CA GLN B 9 11.200 -3.615 11.388 1.00 0.00 C ATOM 1668 C GLN B 9 10.591 -2.584 10.454 1.00 0.00 C ATOM 1669 O GLN B 9 10.213 -2.904 9.328 1.00 0.00 O ATOM 1670 CB GLN B 9 12.716 -3.670 11.201 1.00 0.00 C ATOM 1671 CG GLN B 9 13.150 -4.566 10.058 1.00 0.00 C ATOM 1672 CD GLN B 9 12.578 -4.131 8.723 1.00 0.00 C ATOM 1673 OE1 GLN B 9 12.096 -4.953 7.945 1.00 0.00 O ATOM 1674 NE2 GLN B 9 12.627 -2.831 8.451 1.00 0.00 N ATOM 0 H GLN B 9 9.988 -4.956 10.334 1.00 0.00 H new ATOM 0 HA GLN B 9 10.995 -3.325 12.419 1.00 0.00 H new ATOM 0 HB2 GLN B 9 13.090 -2.661 11.024 1.00 0.00 H new ATOM 0 HB3 GLN B 9 13.176 -4.023 12.124 1.00 0.00 H new ATOM 0 HG2 GLN B 9 14.238 -4.570 9.998 1.00 0.00 H new ATOM 0 HG3 GLN B 9 12.838 -5.590 10.266 1.00 0.00 H new ATOM 0 HE21 GLN B 9 13.036 -2.184 9.125 1.00 0.00 H new ATOM 0 HE22 GLN B 9 12.256 -2.480 7.568 1.00 0.00 H new ATOM 1683 N ILE B 10 10.480 -1.349 10.924 1.00 0.00 N ATOM 1684 CA ILE B 10 9.898 -0.292 10.114 1.00 0.00 C ATOM 1685 C ILE B 10 10.924 0.780 9.787 1.00 0.00 C ATOM 1686 O ILE B 10 11.547 1.363 10.674 1.00 0.00 O ATOM 1687 CB ILE B 10 8.689 0.360 10.804 1.00 0.00 C ATOM 1688 CG1 ILE B 10 7.987 -0.646 11.718 1.00 0.00 C ATOM 1689 CG2 ILE B 10 7.723 0.897 9.762 1.00 0.00 C ATOM 1690 CD1 ILE B 10 7.241 -1.731 10.968 1.00 0.00 C ATOM 0 H ILE B 10 10.783 -1.058 11.853 1.00 0.00 H new ATOM 0 HA ILE B 10 9.560 -0.762 9.190 1.00 0.00 H new ATOM 0 HB ILE B 10 9.041 1.190 11.417 1.00 0.00 H new ATOM 0 HG12 ILE B 10 8.727 -1.110 12.370 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.286 -0.113 12.361 1.00 0.00 H new ATOM 0 HG21 ILE B 10 6.870 1.357 10.260 1.00 0.00 H new ATOM 0 HG22 ILE B 10 8.228 1.641 9.146 1.00 0.00 H new ATOM 0 HG23 ILE B 10 7.377 0.079 9.131 1.00 0.00 H new ATOM 0 HD11 ILE B 10 6.769 -2.407 11.681 1.00 0.00 H new ATOM 0 HD12 ILE B 10 6.477 -1.277 10.337 1.00 0.00 H new ATOM 0 HD13 ILE B 10 7.940 -2.290 10.346 1.00 0.00 H new ATOM 1702 N THR B 11 11.087 1.029 8.499 1.00 0.00 N ATOM 1703 CA THR B 11 12.030 2.027 8.016 1.00 0.00 C ATOM 1704 C THR B 11 11.323 3.350 7.749 1.00 0.00 C ATOM 1705 O THR B 11 10.714 3.537 6.695 1.00 0.00 O ATOM 1706 CB THR B 11 12.706 1.527 6.739 1.00 0.00 C ATOM 1707 OG1 THR B 11 13.206 0.214 6.917 1.00 0.00 O ATOM 1708 CG2 THR B 11 13.857 2.397 6.284 1.00 0.00 C ATOM 0 H THR B 11 10.573 0.549 7.761 1.00 0.00 H new ATOM 0 HA THR B 11 12.787 2.190 8.783 1.00 0.00 H new ATOM 0 HB THR B 11 11.929 1.556 5.975 1.00 0.00 H new ATOM 0 HG1 THR B 11 12.607 -0.426 6.479 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.289 1.982 5.373 1.00 0.00 H new ATOM 0 HG22 THR B 11 13.495 3.406 6.087 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.618 2.431 7.064 1.00 0.00 H new ATOM 1716 N LYS B 12 11.401 4.264 8.710 1.00 0.00 N ATOM 1717 CA LYS B 12 10.760 5.567 8.572 1.00 0.00 C ATOM 1718 C LYS B 12 11.460 6.415 7.517 1.00 0.00 C ATOM 1719 O LYS B 12 12.687 6.429 7.427 1.00 0.00 O ATOM 1720 CB LYS B 12 10.751 6.307 9.910 1.00 0.00 C ATOM 1721 CG LYS B 12 9.793 7.487 9.937 1.00 0.00 C ATOM 1722 CD LYS B 12 9.188 7.690 11.317 1.00 0.00 C ATOM 1723 CE LYS B 12 8.402 6.469 11.768 1.00 0.00 C ATOM 1724 NZ LYS B 12 7.436 6.799 12.854 1.00 0.00 N ATOM 0 H LYS B 12 11.899 4.128 9.589 1.00 0.00 H new ATOM 0 HA LYS B 12 9.732 5.398 8.253 1.00 0.00 H new ATOM 0 HB2 LYS B 12 10.479 5.609 10.702 1.00 0.00 H new ATOM 0 HB3 LYS B 12 11.759 6.661 10.129 1.00 0.00 H new ATOM 0 HG2 LYS B 12 10.321 8.391 9.635 1.00 0.00 H new ATOM 0 HG3 LYS B 12 8.996 7.325 9.211 1.00 0.00 H new ATOM 0 HD2 LYS B 12 9.981 7.899 12.035 1.00 0.00 H new ATOM 0 HD3 LYS B 12 8.533 8.561 11.303 1.00 0.00 H new ATOM 0 HE2 LYS B 12 7.863 6.050 10.918 1.00 0.00 H new ATOM 0 HE3 LYS B 12 9.093 5.702 12.117 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 6.920 5.940 13.133 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 7.952 7.175 13.675 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 6.761 7.513 12.513 1.00 0.00 H new ATOM 1738 N VAL B 13 10.666 7.124 6.722 1.00 0.00 N ATOM 1739 CA VAL B 13 11.197 7.980 5.672 1.00 0.00 C ATOM 1740 C VAL B 13 10.222 9.107 5.343 1.00 0.00 C ATOM 1741 O VAL B 13 9.241 8.846 4.614 1.00 0.00 O ATOM 1742 CB VAL B 13 11.496 7.183 4.389 1.00 0.00 C ATOM 1743 CG1 VAL B 13 12.704 6.282 4.587 1.00 0.00 C ATOM 1744 CG2 VAL B 13 10.281 6.369 3.969 1.00 0.00 C ATOM 1745 OXT VAL B 13 10.443 10.237 5.821 1.00 0.00 O ATOM 0 H VAL B 13 9.648 7.121 6.787 1.00 0.00 H new ATOM 0 HA VAL B 13 12.128 8.403 6.048 1.00 0.00 H new ATOM 0 HB VAL B 13 11.725 7.890 3.592 1.00 0.00 H new ATOM 0 HG11 VAL B 13 12.899 5.727 3.669 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.574 6.890 4.835 1.00 0.00 H new ATOM 0 HG13 VAL B 13 12.507 5.582 5.399 1.00 0.00 H new ATOM 0 HG21 VAL B 13 10.512 5.813 3.060 1.00 0.00 H new ATOM 0 HG22 VAL B 13 10.018 5.672 4.764 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.442 7.039 3.781 1.00 0.00 H new TER 1755 VAL B 13