USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 648 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 MET CE :methyl 162:sc= -2.28 (180deg=-2.92!) USER MOD Set 2.1: A 49 ASN : amide:sc= -2.11! C(o=-0.92!,f=-1.3!) USER MOD Set 2.2: A 50 SER OG : rot -94:sc= 1.19 USER MOD Set 3.1: A 43 CYS SG : rot 136:sc= 1.22 USER MOD Set 3.2: A 48 ASN :FLIP amide:sc= 1.34 F(o=-2.7,f=0.81) USER MOD Set 3.3: A 54 SER OG : rot -97:sc= -1.75! USER MOD Single : A 19 THR OG1 : rot 22:sc= 0.204 USER MOD Single : A 24 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.36) USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= -0.0291 (180deg=-0.249) USER MOD Single : A 30 GLN : amide:sc= -7.35! C(o=-7.4!,f=-9.5!) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.192 F(o=-1.4!,f=-0.19) USER MOD Single : A 33 GLN :FLIP amide:sc= -1.93 F(o=-5.9!,f=-1.9) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 38 THR OG1 : rot -68:sc= 1.13 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= 0.00149 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.0879 F(o=-1,f=-0.088) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 70:sc= 1.01 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.0213 F(o=-1.3,f=-0.021) USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= 1.29 (180deg=1.17) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 136:sc= -0.699 (180deg=-2.88) USER MOD Single : A 71 GLN : amide:sc=-0.00793 K(o=-0.0079,f=-0.95) USER MOD Single : A 74 LYS NZ :NH3+ -113:sc= 0.937 (180deg=-1.37) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.05) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -121:sc= -4.2! (180deg=-4.78!) USER MOD Single : A 87 TYR OH : rot 130:sc=-0.00692 USER MOD Single : A 89 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.4!) USER MOD Single : A 92 THR OG1 : rot -16:sc= 0.913 USER MOD Single : A 93 TYR OH : rot 27:sc= 1.31 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 19 11.962 -13.102 -5.050 1.00 0.00 N ATOM 2 CA THR A 19 12.171 -11.770 -5.654 1.00 0.00 C ATOM 3 C THR A 19 10.922 -11.322 -6.410 1.00 0.00 C ATOM 4 O THR A 19 10.685 -11.724 -7.549 1.00 0.00 O ATOM 5 CB THR A 19 13.382 -11.793 -6.609 1.00 0.00 C ATOM 6 OG1 THR A 19 14.513 -12.361 -5.932 1.00 0.00 O ATOM 7 CG2 THR A 19 13.732 -10.389 -7.087 1.00 0.00 C ATOM 0 HA THR A 19 12.369 -11.060 -4.851 1.00 0.00 H new ATOM 0 HB THR A 19 13.122 -12.397 -7.478 1.00 0.00 H new ATOM 0 HG1 THR A 19 14.203 -12.907 -5.179 1.00 0.00 H new ATOM 0 HG21 THR A 19 14.589 -10.436 -7.759 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.880 -9.962 -7.616 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.977 -9.763 -6.229 1.00 0.00 H new ATOM 15 N ILE A 20 10.116 -10.504 -5.739 1.00 0.00 N ATOM 16 CA ILE A 20 8.885 -9.974 -6.313 1.00 0.00 C ATOM 17 C ILE A 20 9.158 -9.083 -7.523 1.00 0.00 C ATOM 18 O ILE A 20 8.805 -9.437 -8.646 1.00 0.00 O ATOM 19 CB ILE A 20 8.044 -9.213 -5.237 1.00 0.00 C ATOM 20 CG1 ILE A 20 7.006 -8.264 -5.865 1.00 0.00 C ATOM 21 CG2 ILE A 20 8.949 -8.438 -4.287 1.00 0.00 C ATOM 22 CD1 ILE A 20 6.128 -8.895 -6.919 1.00 0.00 C ATOM 0 H ILE A 20 10.298 -10.191 -4.785 1.00 0.00 H new ATOM 0 HA ILE A 20 8.301 -10.825 -6.662 1.00 0.00 H new ATOM 0 HB ILE A 20 7.499 -9.972 -4.675 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.371 -7.867 -5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.530 -7.417 -6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.340 -7.917 -3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.622 -9.130 -3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.533 -7.712 -4.852 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.430 -8.152 -7.303 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.748 -9.266 -7.735 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.571 -9.723 -6.481 1.00 0.00 H new ATOM 34 N ASP A 21 9.791 -7.946 -7.304 1.00 0.00 N ATOM 35 CA ASP A 21 9.925 -6.958 -8.357 1.00 0.00 C ATOM 36 C ASP A 21 11.221 -6.176 -8.156 1.00 0.00 C ATOM 37 O ASP A 21 12.157 -6.687 -7.540 1.00 0.00 O ATOM 38 CB ASP A 21 8.711 -6.018 -8.325 1.00 0.00 C ATOM 39 CG ASP A 21 8.481 -5.299 -9.639 1.00 0.00 C ATOM 40 OD1 ASP A 21 7.762 -5.843 -10.499 1.00 0.00 O ATOM 41 OD2 ASP A 21 9.019 -4.185 -9.814 1.00 0.00 O ATOM 0 H ASP A 21 10.217 -7.685 -6.415 1.00 0.00 H new ATOM 0 HA ASP A 21 9.963 -7.448 -9.330 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.820 -6.593 -8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.850 -5.281 -7.534 1.00 0.00 H new ATOM 46 N VAL A 22 11.279 -4.950 -8.658 1.00 0.00 N ATOM 47 CA VAL A 22 12.400 -4.060 -8.378 1.00 0.00 C ATOM 48 C VAL A 22 12.200 -3.440 -6.998 1.00 0.00 C ATOM 49 O VAL A 22 13.090 -2.797 -6.432 1.00 0.00 O ATOM 50 CB VAL A 22 12.515 -2.941 -9.446 1.00 0.00 C ATOM 51 CG1 VAL A 22 11.378 -1.935 -9.314 1.00 0.00 C ATOM 52 CG2 VAL A 22 13.859 -2.238 -9.350 1.00 0.00 C ATOM 0 H VAL A 22 10.562 -4.548 -9.262 1.00 0.00 H new ATOM 0 HA VAL A 22 13.323 -4.639 -8.405 1.00 0.00 H new ATOM 0 HB VAL A 22 12.440 -3.411 -10.427 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.485 -1.163 -10.076 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.424 -2.445 -9.446 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.411 -1.477 -8.326 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.916 -1.458 -10.109 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.966 -1.792 -8.361 1.00 0.00 H new ATOM 0 HG23 VAL A 22 14.660 -2.960 -9.511 1.00 0.00 H new ATOM 62 N LEU A 23 11.011 -3.661 -6.461 1.00 0.00 N ATOM 63 CA LEU A 23 10.623 -3.117 -5.175 1.00 0.00 C ATOM 64 C LEU A 23 11.183 -3.975 -4.055 1.00 0.00 C ATOM 65 O LEU A 23 10.448 -4.656 -3.342 1.00 0.00 O ATOM 66 CB LEU A 23 9.102 -3.059 -5.079 1.00 0.00 C ATOM 67 CG LEU A 23 8.380 -2.669 -6.374 1.00 0.00 C ATOM 68 CD1 LEU A 23 6.877 -2.716 -6.177 1.00 0.00 C ATOM 69 CD2 LEU A 23 8.820 -1.292 -6.854 1.00 0.00 C ATOM 0 H LEU A 23 10.288 -4.225 -6.908 1.00 0.00 H new ATOM 0 HA LEU A 23 11.026 -2.109 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.737 -4.035 -4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.830 -2.345 -4.301 1.00 0.00 H new ATOM 0 HG LEU A 23 8.650 -3.391 -7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.379 -2.436 -7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.578 -3.726 -5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.591 -2.020 -5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.292 -1.041 -7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.590 -0.550 -6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.894 -1.298 -7.042 1.00 0.00 H new ATOM 81 N GLN A 24 12.490 -3.931 -3.910 1.00 0.00 N ATOM 82 CA GLN A 24 13.174 -4.768 -2.946 1.00 0.00 C ATOM 83 C GLN A 24 13.140 -4.160 -1.552 1.00 0.00 C ATOM 84 O GLN A 24 13.489 -2.995 -1.353 1.00 0.00 O ATOM 85 CB GLN A 24 14.618 -5.008 -3.382 1.00 0.00 C ATOM 86 CG GLN A 24 14.745 -5.886 -4.617 1.00 0.00 C ATOM 87 CD GLN A 24 14.186 -7.280 -4.397 1.00 0.00 C ATOM 88 OE1 GLN A 24 13.012 -7.546 -4.658 1.00 0.00 O ATOM 89 NE2 GLN A 24 15.024 -8.176 -3.903 1.00 0.00 N ATOM 0 H GLN A 24 13.104 -3.321 -4.450 1.00 0.00 H new ATOM 0 HA GLN A 24 12.649 -5.723 -2.906 1.00 0.00 H new ATOM 0 HB2 GLN A 24 15.093 -4.047 -3.580 1.00 0.00 H new ATOM 0 HB3 GLN A 24 15.164 -5.471 -2.560 1.00 0.00 H new ATOM 0 HG2 GLN A 24 14.222 -5.415 -5.449 1.00 0.00 H new ATOM 0 HG3 GLN A 24 15.795 -5.959 -4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.989 -7.915 -3.701 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.705 -9.128 -3.724 1.00 0.00 H new ATOM 98 N PHE A 25 12.693 -4.957 -0.596 1.00 0.00 N ATOM 99 CA PHE A 25 12.727 -4.573 0.800 1.00 0.00 C ATOM 100 C PHE A 25 14.085 -4.914 1.372 1.00 0.00 C ATOM 101 O PHE A 25 14.557 -6.049 1.275 1.00 0.00 O ATOM 102 CB PHE A 25 11.599 -5.265 1.569 1.00 0.00 C ATOM 103 CG PHE A 25 10.248 -4.986 0.973 1.00 0.00 C ATOM 104 CD1 PHE A 25 9.595 -3.792 1.237 1.00 0.00 C ATOM 105 CD2 PHE A 25 9.641 -5.907 0.136 1.00 0.00 C ATOM 106 CE1 PHE A 25 8.361 -3.524 0.677 1.00 0.00 C ATOM 107 CE2 PHE A 25 8.406 -5.645 -0.423 1.00 0.00 C ATOM 108 CZ PHE A 25 7.766 -4.452 -0.153 1.00 0.00 C ATOM 0 H PHE A 25 12.299 -5.882 -0.767 1.00 0.00 H new ATOM 0 HA PHE A 25 12.570 -3.498 0.895 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.775 -6.341 1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.612 -4.932 2.607 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.056 -3.063 1.887 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.139 -6.840 -0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.863 -2.589 0.888 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.941 -6.373 -1.071 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.801 -4.245 -0.591 1.00 0.00 H new ATOM 118 N LYS A 26 14.708 -3.884 1.932 1.00 0.00 N ATOM 119 CA LYS A 26 16.061 -3.933 2.457 1.00 0.00 C ATOM 120 C LYS A 26 16.253 -5.130 3.383 1.00 0.00 C ATOM 121 O LYS A 26 17.320 -5.743 3.420 1.00 0.00 O ATOM 122 CB LYS A 26 16.318 -2.600 3.168 1.00 0.00 C ATOM 123 CG LYS A 26 17.126 -2.678 4.445 1.00 0.00 C ATOM 124 CD LYS A 26 16.275 -2.251 5.629 1.00 0.00 C ATOM 125 CE LYS A 26 15.798 -0.813 5.505 1.00 0.00 C ATOM 126 NZ LYS A 26 16.913 0.139 5.254 1.00 0.00 N ATOM 0 H LYS A 26 14.271 -2.968 2.035 1.00 0.00 H new ATOM 0 HA LYS A 26 16.784 -4.068 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.833 -1.934 2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.356 -2.141 3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.486 -3.696 4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.004 -2.037 4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.412 -2.912 5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.851 -2.363 6.547 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.075 -0.743 4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.279 -0.526 6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.568 1.114 5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.678 -0.035 5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.273 0.005 4.288 1.00 0.00 H new ATOM 140 N ASP A 27 15.197 -5.458 4.100 1.00 0.00 N ATOM 141 CA ASP A 27 15.160 -6.617 4.969 1.00 0.00 C ATOM 142 C ASP A 27 13.708 -6.948 5.256 1.00 0.00 C ATOM 143 O ASP A 27 12.816 -6.428 4.578 1.00 0.00 O ATOM 144 CB ASP A 27 15.927 -6.350 6.271 1.00 0.00 C ATOM 145 CG ASP A 27 15.418 -5.137 7.030 1.00 0.00 C ATOM 146 OD1 ASP A 27 14.400 -4.556 6.600 1.00 0.00 O ATOM 147 OD2 ASP A 27 16.019 -4.761 8.060 1.00 0.00 O ATOM 0 H ASP A 27 14.330 -4.921 4.095 1.00 0.00 H new ATOM 0 HA ASP A 27 15.643 -7.462 4.479 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.856 -7.228 6.913 1.00 0.00 H new ATOM 0 HB3 ASP A 27 16.983 -6.209 6.040 1.00 0.00 H new ATOM 152 N GLU A 28 13.448 -7.775 6.252 1.00 0.00 N ATOM 153 CA GLU A 28 12.074 -8.071 6.617 1.00 0.00 C ATOM 154 C GLU A 28 11.450 -6.852 7.280 1.00 0.00 C ATOM 155 O GLU A 28 10.246 -6.642 7.194 1.00 0.00 O ATOM 156 CB GLU A 28 11.973 -9.292 7.541 1.00 0.00 C ATOM 157 CG GLU A 28 12.698 -9.143 8.872 1.00 0.00 C ATOM 158 CD GLU A 28 14.193 -9.345 8.747 1.00 0.00 C ATOM 159 OE1 GLU A 28 14.648 -10.500 8.821 1.00 0.00 O ATOM 160 OE2 GLU A 28 14.919 -8.350 8.562 1.00 0.00 O ATOM 0 H GLU A 28 14.156 -8.247 6.815 1.00 0.00 H new ATOM 0 HA GLU A 28 11.529 -8.314 5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.920 -9.497 7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.375 -10.160 7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.502 -8.151 9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.296 -9.865 9.583 1.00 0.00 H new ATOM 167 N ALA A 29 12.291 -6.026 7.900 1.00 0.00 N ATOM 168 CA ALA A 29 11.825 -4.830 8.582 1.00 0.00 C ATOM 169 C ALA A 29 11.185 -3.858 7.601 1.00 0.00 C ATOM 170 O ALA A 29 10.119 -3.303 7.879 1.00 0.00 O ATOM 171 CB ALA A 29 12.963 -4.143 9.320 1.00 0.00 C ATOM 0 H ALA A 29 13.300 -6.168 7.941 1.00 0.00 H new ATOM 0 HA ALA A 29 11.074 -5.140 9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.586 -3.251 9.821 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.381 -4.825 10.060 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.739 -3.859 8.609 1.00 0.00 H new ATOM 177 N GLN A 30 11.835 -3.655 6.452 1.00 0.00 N ATOM 178 CA GLN A 30 11.282 -2.785 5.417 1.00 0.00 C ATOM 179 C GLN A 30 9.930 -3.325 4.970 1.00 0.00 C ATOM 180 O GLN A 30 9.009 -2.571 4.654 1.00 0.00 O ATOM 181 CB GLN A 30 12.203 -2.674 4.189 1.00 0.00 C ATOM 182 CG GLN A 30 12.006 -1.365 3.451 1.00 0.00 C ATOM 183 CD GLN A 30 12.879 -1.225 2.223 1.00 0.00 C ATOM 184 OE1 GLN A 30 14.016 -0.773 2.305 1.00 0.00 O ATOM 185 NE2 GLN A 30 12.342 -1.593 1.073 1.00 0.00 N ATOM 0 H GLN A 30 12.734 -4.077 6.219 1.00 0.00 H new ATOM 0 HA GLN A 30 11.181 -1.790 5.851 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.242 -2.759 4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.007 -3.505 3.512 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.961 -1.278 3.155 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.215 -0.539 4.131 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.392 -1.964 1.049 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.877 -1.506 0.209 1.00 0.00 H new ATOM 194 N GLU A 31 9.818 -4.642 4.976 1.00 0.00 N ATOM 195 CA GLU A 31 8.615 -5.313 4.523 1.00 0.00 C ATOM 196 C GLU A 31 7.537 -5.311 5.617 1.00 0.00 C ATOM 197 O GLU A 31 6.346 -5.372 5.321 1.00 0.00 O ATOM 198 CB GLU A 31 8.963 -6.737 4.076 1.00 0.00 C ATOM 199 CG GLU A 31 7.806 -7.486 3.438 1.00 0.00 C ATOM 200 CD GLU A 31 8.225 -8.809 2.829 1.00 0.00 C ATOM 201 OE1 GLU A 31 8.827 -8.796 1.735 1.00 0.00 O ATOM 202 OE2 GLU A 31 7.933 -9.867 3.424 1.00 0.00 O ATOM 0 H GLU A 31 10.555 -5.272 5.293 1.00 0.00 H new ATOM 0 HA GLU A 31 8.203 -4.772 3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.789 -6.692 3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.316 -7.302 4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.037 -7.665 4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.357 -6.862 2.665 1.00 0.00 H new ATOM 209 N GLN A 32 7.957 -5.214 6.880 1.00 0.00 N ATOM 210 CA GLN A 32 7.019 -5.113 8.001 1.00 0.00 C ATOM 211 C GLN A 32 6.173 -3.855 7.864 1.00 0.00 C ATOM 212 O GLN A 32 4.969 -3.871 8.110 1.00 0.00 O ATOM 213 CB GLN A 32 7.765 -5.066 9.337 1.00 0.00 C ATOM 214 CG GLN A 32 8.593 -6.300 9.645 1.00 0.00 C ATOM 215 CD GLN A 32 9.218 -6.244 11.025 1.00 0.00 C ATOM 216 OE1 GLN A 32 8.514 -5.644 11.974 1.00 0.00 O flip ATOM 217 NE2 GLN A 32 10.316 -6.754 11.247 1.00 0.00 N flip ATOM 0 H GLN A 32 8.940 -5.203 7.153 1.00 0.00 H new ATOM 0 HA GLN A 32 6.379 -5.995 7.981 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.420 -4.195 9.341 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.040 -4.923 10.138 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.962 -7.186 9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.379 -6.404 8.897 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.830 -7.208 10.492 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.712 -6.723 12.186 1.00 0.00 H new ATOM 226 N GLN A 33 6.821 -2.765 7.469 1.00 0.00 N ATOM 227 CA GLN A 33 6.132 -1.502 7.246 1.00 0.00 C ATOM 228 C GLN A 33 5.157 -1.640 6.090 1.00 0.00 C ATOM 229 O GLN A 33 4.047 -1.107 6.125 1.00 0.00 O ATOM 230 CB GLN A 33 7.143 -0.396 6.950 1.00 0.00 C ATOM 231 CG GLN A 33 6.506 0.959 6.708 1.00 0.00 C ATOM 232 CD GLN A 33 7.535 2.059 6.551 1.00 0.00 C ATOM 233 OE1 GLN A 33 7.199 3.075 5.778 1.00 0.00 O flip ATOM 234 NE2 GLN A 33 8.622 1.999 7.124 1.00 0.00 N flip ATOM 0 H GLN A 33 7.826 -2.732 7.296 1.00 0.00 H new ATOM 0 HA GLN A 33 5.578 -1.239 8.147 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.838 -0.317 7.786 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.728 -0.675 6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.888 0.912 5.811 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.844 1.200 7.539 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.844 1.197 7.713 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.301 2.752 7.010 1.00 0.00 H new ATOM 243 N PHE A 34 5.581 -2.385 5.079 1.00 0.00 N ATOM 244 CA PHE A 34 4.769 -2.635 3.902 1.00 0.00 C ATOM 245 C PHE A 34 3.456 -3.303 4.298 1.00 0.00 C ATOM 246 O PHE A 34 2.415 -3.039 3.699 1.00 0.00 O ATOM 247 CB PHE A 34 5.544 -3.516 2.924 1.00 0.00 C ATOM 248 CG PHE A 34 4.862 -3.734 1.607 1.00 0.00 C ATOM 249 CD1 PHE A 34 4.799 -2.716 0.670 1.00 0.00 C ATOM 250 CD2 PHE A 34 4.269 -4.948 1.315 1.00 0.00 C ATOM 251 CE1 PHE A 34 4.155 -2.907 -0.535 1.00 0.00 C ATOM 252 CE2 PHE A 34 3.626 -5.147 0.111 1.00 0.00 C ATOM 253 CZ PHE A 34 3.632 -4.149 -0.844 1.00 0.00 C ATOM 0 H PHE A 34 6.498 -2.832 5.054 1.00 0.00 H new ATOM 0 HA PHE A 34 4.537 -1.686 3.418 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.519 -3.065 2.743 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.723 -4.485 3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.259 -1.763 0.885 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.310 -5.750 2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.060 -2.089 -1.234 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.119 -6.080 -0.084 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.230 -4.338 -1.828 1.00 0.00 H new ATOM 263 N ARG A 35 3.518 -4.153 5.321 1.00 0.00 N ATOM 264 CA ARG A 35 2.334 -4.843 5.832 1.00 0.00 C ATOM 265 C ARG A 35 1.238 -3.854 6.220 1.00 0.00 C ATOM 266 O ARG A 35 0.103 -3.958 5.762 1.00 0.00 O ATOM 267 CB ARG A 35 2.705 -5.680 7.065 1.00 0.00 C ATOM 268 CG ARG A 35 3.074 -7.135 6.795 1.00 0.00 C ATOM 269 CD ARG A 35 3.938 -7.292 5.567 1.00 0.00 C ATOM 270 NE ARG A 35 3.149 -7.360 4.335 1.00 0.00 N ATOM 271 CZ ARG A 35 3.564 -7.961 3.224 1.00 0.00 C ATOM 272 NH1 ARG A 35 4.713 -8.621 3.210 1.00 0.00 N ATOM 273 NH2 ARG A 35 2.811 -7.940 2.132 1.00 0.00 N ATOM 0 H ARG A 35 4.381 -4.382 5.815 1.00 0.00 H new ATOM 0 HA ARG A 35 1.960 -5.488 5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.545 -5.199 7.567 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.865 -5.661 7.759 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.600 -7.540 7.660 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.163 -7.721 6.672 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.632 -6.454 5.505 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.538 -8.197 5.661 1.00 0.00 H new ATOM 0 HE ARG A 35 2.228 -6.921 4.329 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.283 -8.670 4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.027 -9.080 2.355 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.910 -7.462 2.143 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.133 -8.402 1.282 1.00 0.00 H new ATOM 287 N GLN A 36 1.593 -2.873 7.036 1.00 0.00 N ATOM 288 CA GLN A 36 0.619 -1.907 7.535 1.00 0.00 C ATOM 289 C GLN A 36 0.195 -0.940 6.449 1.00 0.00 C ATOM 290 O GLN A 36 -0.975 -0.566 6.357 1.00 0.00 O ATOM 291 CB GLN A 36 1.193 -1.127 8.722 1.00 0.00 C ATOM 292 CG GLN A 36 1.589 -2.004 9.899 1.00 0.00 C ATOM 293 CD GLN A 36 2.256 -1.217 11.012 1.00 0.00 C ATOM 294 OE1 GLN A 36 2.932 -0.218 10.763 1.00 0.00 O ATOM 295 NE2 GLN A 36 2.071 -1.660 12.245 1.00 0.00 N ATOM 0 H GLN A 36 2.546 -2.723 7.368 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.258 -2.466 7.862 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.066 -0.567 8.388 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.455 -0.398 9.056 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.702 -2.502 10.291 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.267 -2.785 9.554 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.504 -2.492 12.408 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.496 -1.170 13.032 1.00 0.00 H new ATOM 304 N LEU A 37 1.149 -0.553 5.619 1.00 0.00 N ATOM 305 CA LEU A 37 0.911 0.454 4.603 1.00 0.00 C ATOM 306 C LEU A 37 -0.014 -0.062 3.505 1.00 0.00 C ATOM 307 O LEU A 37 -0.660 0.723 2.817 1.00 0.00 O ATOM 308 CB LEU A 37 2.240 0.944 4.024 1.00 0.00 C ATOM 309 CG LEU A 37 3.157 1.655 5.019 1.00 0.00 C ATOM 310 CD1 LEU A 37 4.365 2.238 4.306 1.00 0.00 C ATOM 311 CD2 LEU A 37 2.400 2.735 5.780 1.00 0.00 C ATOM 0 H LEU A 37 2.099 -0.924 5.631 1.00 0.00 H new ATOM 0 HA LEU A 37 0.406 1.298 5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.774 0.090 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.030 1.623 3.197 1.00 0.00 H new ATOM 0 HG LEU A 37 3.510 0.921 5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.007 2.741 5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.923 1.437 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.033 2.955 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.074 3.226 6.482 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.010 3.470 5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.573 2.283 6.328 1.00 0.00 H new ATOM 323 N THR A 38 -0.079 -1.377 3.338 1.00 0.00 N ATOM 324 CA THR A 38 -0.970 -1.951 2.346 1.00 0.00 C ATOM 325 C THR A 38 -2.306 -2.379 2.956 1.00 0.00 C ATOM 326 O THR A 38 -3.308 -2.462 2.249 1.00 0.00 O ATOM 327 CB THR A 38 -0.338 -3.158 1.624 1.00 0.00 C ATOM 328 OG1 THR A 38 0.312 -4.026 2.562 1.00 0.00 O ATOM 329 CG2 THR A 38 0.643 -2.708 0.551 1.00 0.00 C ATOM 0 H THR A 38 0.467 -2.055 3.869 1.00 0.00 H new ATOM 0 HA THR A 38 -1.148 -1.160 1.618 1.00 0.00 H new ATOM 0 HB THR A 38 -1.141 -3.710 1.137 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.094 -3.572 2.940 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.072 -3.582 0.060 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.121 -2.097 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.440 -2.122 1.009 1.00 0.00 H new ATOM 337 N GLU A 39 -2.333 -2.639 4.265 1.00 0.00 N ATOM 338 CA GLU A 39 -3.534 -3.193 4.887 1.00 0.00 C ATOM 339 C GLU A 39 -4.404 -2.131 5.555 1.00 0.00 C ATOM 340 O GLU A 39 -5.551 -2.405 5.916 1.00 0.00 O ATOM 341 CB GLU A 39 -3.158 -4.282 5.887 1.00 0.00 C ATOM 342 CG GLU A 39 -2.613 -5.532 5.220 1.00 0.00 C ATOM 343 CD GLU A 39 -2.214 -6.598 6.212 1.00 0.00 C ATOM 344 OE1 GLU A 39 -3.102 -7.107 6.931 1.00 0.00 O ATOM 345 OE2 GLU A 39 -1.014 -6.935 6.280 1.00 0.00 O ATOM 0 H GLU A 39 -1.553 -2.478 4.903 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.132 -3.626 4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.413 -3.891 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.035 -4.544 6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.367 -5.935 4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.748 -5.266 4.612 1.00 0.00 H new ATOM 352 N GLU A 40 -3.872 -0.926 5.730 1.00 0.00 N ATOM 353 CA GLU A 40 -4.670 0.166 6.283 1.00 0.00 C ATOM 354 C GLU A 40 -5.238 1.013 5.149 1.00 0.00 C ATOM 355 O GLU A 40 -6.005 1.953 5.367 1.00 0.00 O ATOM 356 CB GLU A 40 -3.833 1.028 7.231 1.00 0.00 C ATOM 357 CG GLU A 40 -4.670 1.903 8.155 1.00 0.00 C ATOM 358 CD GLU A 40 -3.852 2.575 9.239 1.00 0.00 C ATOM 359 OE1 GLU A 40 -2.975 1.911 9.831 1.00 0.00 O ATOM 360 OE2 GLU A 40 -4.068 3.779 9.490 1.00 0.00 O ATOM 0 H GLU A 40 -2.908 -0.681 5.502 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.494 -0.258 6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.198 0.379 7.834 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.171 1.664 6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.175 2.666 7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.446 1.294 8.619 1.00 0.00 H new ATOM 367 N LEU A 41 -4.861 0.657 3.934 1.00 0.00 N ATOM 368 CA LEU A 41 -5.331 1.350 2.752 1.00 0.00 C ATOM 369 C LEU A 41 -6.523 0.618 2.152 1.00 0.00 C ATOM 370 O LEU A 41 -6.480 -0.595 1.943 1.00 0.00 O ATOM 371 CB LEU A 41 -4.199 1.475 1.725 1.00 0.00 C ATOM 372 CG LEU A 41 -4.609 2.011 0.352 1.00 0.00 C ATOM 373 CD1 LEU A 41 -5.396 3.302 0.491 1.00 0.00 C ATOM 374 CD2 LEU A 41 -3.380 2.221 -0.511 1.00 0.00 C ATOM 0 H LEU A 41 -4.224 -0.116 3.741 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.650 2.353 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.430 2.129 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.744 0.494 1.591 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.253 1.277 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.677 3.665 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.295 3.119 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.782 4.051 0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.681 2.603 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.716 2.939 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.858 1.273 -0.638 1.00 0.00 H new ATOM 386 N ARG A 42 -7.586 1.359 1.876 1.00 0.00 N ATOM 387 CA ARG A 42 -8.783 0.770 1.317 1.00 0.00 C ATOM 388 C ARG A 42 -8.717 0.780 -0.199 1.00 0.00 C ATOM 389 O ARG A 42 -8.256 1.744 -0.808 1.00 0.00 O ATOM 390 CB ARG A 42 -10.049 1.510 1.767 1.00 0.00 C ATOM 391 CG ARG A 42 -11.196 0.575 2.105 1.00 0.00 C ATOM 392 CD ARG A 42 -12.545 1.249 1.964 1.00 0.00 C ATOM 393 NE ARG A 42 -12.766 1.801 0.631 1.00 0.00 N ATOM 394 CZ ARG A 42 -13.975 2.081 0.144 1.00 0.00 C ATOM 395 NH1 ARG A 42 -15.060 1.833 0.873 1.00 0.00 N ATOM 396 NH2 ARG A 42 -14.099 2.603 -1.069 1.00 0.00 N ATOM 0 H ARG A 42 -7.639 2.366 2.031 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.835 -0.256 1.682 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.816 2.120 2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.364 2.192 0.977 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.157 -0.296 1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.078 0.212 3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.331 0.528 2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.625 2.048 2.701 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.953 1.982 0.042 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.967 1.429 1.805 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.985 2.047 0.500 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.269 2.791 -1.631 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.025 2.817 -1.440 1.00 0.00 H new ATOM 410 N CYS A 43 -9.182 -0.294 -0.798 1.00 0.00 N ATOM 411 CA CYS A 43 -9.276 -0.394 -2.241 1.00 0.00 C ATOM 412 C CYS A 43 -10.705 -0.745 -2.629 1.00 0.00 C ATOM 413 O CYS A 43 -11.322 -1.597 -1.989 1.00 0.00 O ATOM 414 CB CYS A 43 -8.305 -1.459 -2.747 1.00 0.00 C ATOM 415 SG CYS A 43 -8.389 -3.006 -1.819 1.00 0.00 S ATOM 0 H CYS A 43 -9.506 -1.123 -0.300 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.011 0.560 -2.696 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.515 -1.662 -3.797 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.289 -1.068 -2.695 1.00 0.00 H new ATOM 0 HG CYS A 43 -8.381 -4.009 -2.646 1.00 0.00 H new ATOM 421 N PRO A 44 -11.259 -0.066 -3.649 1.00 0.00 N ATOM 422 CA PRO A 44 -12.636 -0.292 -4.113 1.00 0.00 C ATOM 423 C PRO A 44 -12.862 -1.715 -4.618 1.00 0.00 C ATOM 424 O PRO A 44 -12.698 -2.003 -5.807 1.00 0.00 O ATOM 425 CB PRO A 44 -12.808 0.718 -5.256 1.00 0.00 C ATOM 426 CG PRO A 44 -11.738 1.731 -5.044 1.00 0.00 C ATOM 427 CD PRO A 44 -10.591 0.987 -4.427 1.00 0.00 C ATOM 0 HA PRO A 44 -13.356 -0.164 -3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.706 0.235 -6.228 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.796 1.177 -5.231 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.444 2.193 -5.987 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.082 2.533 -4.390 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.927 0.570 -5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.985 1.634 -3.793 1.00 0.00 H new ATOM 435 N LYS A 45 -13.227 -2.595 -3.695 1.00 0.00 N ATOM 436 CA LYS A 45 -13.542 -3.982 -4.003 1.00 0.00 C ATOM 437 C LYS A 45 -14.065 -4.668 -2.744 1.00 0.00 C ATOM 438 O LYS A 45 -13.358 -4.758 -1.741 1.00 0.00 O ATOM 439 CB LYS A 45 -12.310 -4.724 -4.538 1.00 0.00 C ATOM 440 CG LYS A 45 -12.622 -6.117 -5.056 1.00 0.00 C ATOM 441 CD LYS A 45 -11.406 -6.769 -5.695 1.00 0.00 C ATOM 442 CE LYS A 45 -11.747 -8.124 -6.291 1.00 0.00 C ATOM 443 NZ LYS A 45 -10.579 -8.741 -6.972 1.00 0.00 N ATOM 0 H LYS A 45 -13.313 -2.364 -2.705 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.306 -4.005 -4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.862 -4.138 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.567 -4.798 -3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.978 -6.739 -4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.430 -6.061 -5.786 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.010 -6.117 -6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.621 -6.886 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.100 -8.789 -5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.565 -8.012 -7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.854 -9.664 -7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.257 -8.119 -7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.807 -8.872 -6.287 1.00 0.00 H new ATOM 457 N CYS A 46 -15.311 -5.122 -2.794 1.00 0.00 N ATOM 458 CA CYS A 46 -15.958 -5.743 -1.641 1.00 0.00 C ATOM 459 C CYS A 46 -15.347 -7.105 -1.336 1.00 0.00 C ATOM 460 O CYS A 46 -15.282 -7.525 -0.182 1.00 0.00 O ATOM 461 CB CYS A 46 -17.457 -5.886 -1.903 1.00 0.00 C ATOM 462 SG CYS A 46 -18.260 -4.355 -2.433 1.00 0.00 S ATOM 0 H CYS A 46 -15.899 -5.072 -3.626 1.00 0.00 H new ATOM 0 HA CYS A 46 -15.802 -5.102 -0.774 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -17.611 -6.648 -2.667 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -17.942 -6.243 -0.994 1.00 0.00 H new ATOM 0 HG CYS A 46 -19.526 -4.575 -2.632 1.00 0.00 H new ATOM 468 N GLN A 47 -14.892 -7.788 -2.370 1.00 0.00 N ATOM 469 CA GLN A 47 -14.277 -9.094 -2.201 1.00 0.00 C ATOM 470 C GLN A 47 -12.761 -8.966 -2.185 1.00 0.00 C ATOM 471 O GLN A 47 -12.054 -9.674 -2.903 1.00 0.00 O ATOM 472 CB GLN A 47 -14.732 -10.040 -3.312 1.00 0.00 C ATOM 473 CG GLN A 47 -16.241 -10.226 -3.349 1.00 0.00 C ATOM 474 CD GLN A 47 -16.791 -10.849 -2.077 1.00 0.00 C ATOM 475 OE1 GLN A 47 -16.002 -11.700 -1.433 1.00 0.00 O flip ATOM 476 NE2 GLN A 47 -17.922 -10.573 -1.681 1.00 0.00 N flip ATOM 0 H GLN A 47 -14.936 -7.462 -3.335 1.00 0.00 H new ATOM 0 HA GLN A 47 -14.593 -9.512 -1.245 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -14.395 -9.652 -4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -14.255 -11.010 -3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.717 -9.259 -3.509 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.504 -10.856 -4.199 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.499 -9.914 -2.204 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -18.283 -11.003 -0.830 1.00 0.00 H new ATOM 485 N ASN A 48 -12.273 -8.051 -1.360 1.00 0.00 N ATOM 486 CA ASN A 48 -10.846 -7.813 -1.227 1.00 0.00 C ATOM 487 C ASN A 48 -10.568 -7.069 0.069 1.00 0.00 C ATOM 488 O ASN A 48 -11.167 -6.030 0.343 1.00 0.00 O ATOM 489 CB ASN A 48 -10.331 -7.008 -2.421 1.00 0.00 C ATOM 490 CG ASN A 48 -8.826 -6.826 -2.410 1.00 0.00 C ATOM 491 OD1 ASN A 48 -8.364 -5.758 -3.039 1.00 0.00 O flip ATOM 492 ND2 ASN A 48 -8.085 -7.641 -1.859 1.00 0.00 N flip ATOM 0 H ASN A 48 -12.853 -7.456 -0.768 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.326 -8.771 -1.205 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.624 -7.510 -3.343 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.810 -6.029 -2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.482 -8.452 -1.384 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.074 -7.505 -1.877 1.00 0.00 H new ATOM 499 N ASN A 49 -9.668 -7.623 0.867 1.00 0.00 N ATOM 500 CA ASN A 49 -9.343 -7.066 2.176 1.00 0.00 C ATOM 501 C ASN A 49 -8.502 -5.804 2.050 1.00 0.00 C ATOM 502 O ASN A 49 -8.788 -4.795 2.695 1.00 0.00 O ATOM 503 CB ASN A 49 -8.604 -8.110 3.018 1.00 0.00 C ATOM 504 CG ASN A 49 -7.985 -7.523 4.274 1.00 0.00 C ATOM 505 OD1 ASN A 49 -6.818 -7.138 4.284 1.00 0.00 O ATOM 506 ND2 ASN A 49 -8.762 -7.447 5.343 1.00 0.00 N ATOM 0 H ASN A 49 -9.144 -8.466 0.630 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.277 -6.797 2.670 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.298 -8.902 3.297 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.822 -8.570 2.414 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.397 -7.059 6.213 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.726 -7.777 5.297 1.00 0.00 H new ATOM 513 N SER A 50 -7.475 -5.869 1.218 1.00 0.00 N ATOM 514 CA SER A 50 -6.546 -4.764 1.047 1.00 0.00 C ATOM 515 C SER A 50 -5.644 -5.035 -0.147 1.00 0.00 C ATOM 516 O SER A 50 -5.634 -6.148 -0.679 1.00 0.00 O ATOM 517 CB SER A 50 -5.704 -4.590 2.313 1.00 0.00 C ATOM 518 OG SER A 50 -5.057 -5.802 2.663 1.00 0.00 O ATOM 0 H SER A 50 -7.263 -6.685 0.645 1.00 0.00 H new ATOM 0 HA SER A 50 -7.107 -3.847 0.869 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.960 -3.809 2.155 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.340 -4.263 3.135 1.00 0.00 H new ATOM 0 HG SER A 50 -5.606 -6.291 3.311 1.00 0.00 H new ATOM 524 N ILE A 51 -4.871 -4.028 -0.551 1.00 0.00 N ATOM 525 CA ILE A 51 -3.986 -4.155 -1.710 1.00 0.00 C ATOM 526 C ILE A 51 -2.812 -5.087 -1.414 1.00 0.00 C ATOM 527 O ILE A 51 -2.004 -5.383 -2.295 1.00 0.00 O ATOM 528 CB ILE A 51 -3.435 -2.791 -2.179 1.00 0.00 C ATOM 529 CG1 ILE A 51 -2.627 -2.122 -1.065 1.00 0.00 C ATOM 530 CG2 ILE A 51 -4.571 -1.889 -2.638 1.00 0.00 C ATOM 531 CD1 ILE A 51 -1.923 -0.855 -1.498 1.00 0.00 C ATOM 0 H ILE A 51 -4.839 -3.116 -0.094 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.596 -4.577 -2.509 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.768 -2.961 -3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.294 -1.890 -0.234 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.886 -2.829 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.166 -0.932 -2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.099 -2.362 -3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.263 -1.727 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.372 -0.439 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.230 -1.082 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.659 -0.129 -1.844 1.00 0.00 H new ATOM 543 N ALA A 52 -2.723 -5.540 -0.167 1.00 0.00 N ATOM 544 CA ALA A 52 -1.668 -6.450 0.248 1.00 0.00 C ATOM 545 C ALA A 52 -1.774 -7.781 -0.486 1.00 0.00 C ATOM 546 O ALA A 52 -0.774 -8.319 -0.961 1.00 0.00 O ATOM 547 CB ALA A 52 -1.724 -6.671 1.750 1.00 0.00 C ATOM 0 H ALA A 52 -3.375 -5.288 0.576 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.710 -5.997 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.929 -7.354 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.594 -5.718 2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.690 -7.099 2.019 1.00 0.00 H new ATOM 553 N ASP A 53 -2.991 -8.299 -0.588 1.00 0.00 N ATOM 554 CA ASP A 53 -3.224 -9.580 -1.245 1.00 0.00 C ATOM 555 C ASP A 53 -4.393 -9.462 -2.217 1.00 0.00 C ATOM 556 O ASP A 53 -5.380 -10.188 -2.123 1.00 0.00 O ATOM 557 CB ASP A 53 -3.503 -10.674 -0.206 1.00 0.00 C ATOM 558 CG ASP A 53 -3.339 -12.076 -0.765 1.00 0.00 C ATOM 559 OD1 ASP A 53 -2.206 -12.600 -0.729 1.00 0.00 O ATOM 560 OD2 ASP A 53 -4.333 -12.667 -1.233 1.00 0.00 O ATOM 0 H ASP A 53 -3.833 -7.852 -0.224 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.328 -9.856 -1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.828 -10.545 0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.518 -10.556 0.174 1.00 0.00 H new ATOM 565 N SER A 54 -4.293 -8.513 -3.137 1.00 0.00 N ATOM 566 CA SER A 54 -5.332 -8.323 -4.140 1.00 0.00 C ATOM 567 C SER A 54 -5.024 -9.126 -5.397 1.00 0.00 C ATOM 568 O SER A 54 -5.927 -9.488 -6.152 1.00 0.00 O ATOM 569 CB SER A 54 -5.463 -6.846 -4.501 1.00 0.00 C ATOM 570 OG SER A 54 -5.634 -6.050 -3.346 1.00 0.00 O ATOM 0 H SER A 54 -3.508 -7.866 -3.210 1.00 0.00 H new ATOM 0 HA SER A 54 -6.273 -8.675 -3.717 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.574 -6.521 -5.041 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.312 -6.707 -5.171 1.00 0.00 H new ATOM 0 HG SER A 54 -6.588 -5.870 -3.211 1.00 0.00 H new ATOM 576 N ASN A 55 -3.730 -9.382 -5.613 1.00 0.00 N ATOM 577 CA ASN A 55 -3.240 -10.109 -6.793 1.00 0.00 C ATOM 578 C ASN A 55 -3.491 -9.319 -8.075 1.00 0.00 C ATOM 579 O ASN A 55 -3.234 -9.801 -9.177 1.00 0.00 O ATOM 580 CB ASN A 55 -3.877 -11.498 -6.901 1.00 0.00 C ATOM 581 CG ASN A 55 -3.532 -12.392 -5.725 1.00 0.00 C ATOM 582 OD1 ASN A 55 -2.483 -13.036 -5.705 1.00 0.00 O ATOM 583 ND2 ASN A 55 -4.422 -12.452 -4.746 1.00 0.00 N ATOM 0 H ASN A 55 -2.990 -9.091 -4.974 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.165 -10.233 -6.666 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.960 -11.393 -6.967 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.546 -11.974 -7.824 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.250 -13.048 -3.936 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.279 -11.902 -4.802 1.00 0.00 H new ATOM 590 N SER A 56 -3.987 -8.100 -7.917 1.00 0.00 N ATOM 591 CA SER A 56 -4.274 -7.229 -9.043 1.00 0.00 C ATOM 592 C SER A 56 -3.045 -6.414 -9.424 1.00 0.00 C ATOM 593 O SER A 56 -2.302 -5.936 -8.562 1.00 0.00 O ATOM 594 CB SER A 56 -5.439 -6.296 -8.706 1.00 0.00 C ATOM 595 OG SER A 56 -5.668 -5.363 -9.749 1.00 0.00 O ATOM 0 H SER A 56 -4.200 -7.690 -7.008 1.00 0.00 H new ATOM 0 HA SER A 56 -4.552 -7.851 -9.894 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.341 -6.884 -8.536 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.226 -5.764 -7.779 1.00 0.00 H new ATOM 0 HG SER A 56 -6.419 -4.781 -9.508 1.00 0.00 H new ATOM 601 N MET A 57 -2.858 -6.265 -10.730 1.00 0.00 N ATOM 602 CA MET A 57 -1.744 -5.509 -11.296 1.00 0.00 C ATOM 603 C MET A 57 -1.769 -4.067 -10.809 1.00 0.00 C ATOM 604 O MET A 57 -0.728 -3.439 -10.620 1.00 0.00 O ATOM 605 CB MET A 57 -1.831 -5.507 -12.825 1.00 0.00 C ATOM 606 CG MET A 57 -2.452 -6.761 -13.405 1.00 0.00 C ATOM 607 SD MET A 57 -3.956 -6.417 -14.344 1.00 0.00 S ATOM 608 CE MET A 57 -5.058 -5.868 -13.043 1.00 0.00 C ATOM 0 H MET A 57 -3.479 -6.668 -11.432 1.00 0.00 H new ATOM 0 HA MET A 57 -0.818 -5.986 -10.974 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.414 -4.643 -13.145 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.829 -5.386 -13.236 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.728 -7.255 -14.053 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.683 -7.455 -12.597 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.897 -5.327 -13.481 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.431 -6.732 -12.494 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.518 -5.211 -12.362 1.00 0.00 H new ATOM 618 N ILE A 58 -2.974 -3.556 -10.607 1.00 0.00 N ATOM 619 CA ILE A 58 -3.163 -2.171 -10.217 1.00 0.00 C ATOM 620 C ILE A 58 -2.885 -2.011 -8.723 1.00 0.00 C ATOM 621 O ILE A 58 -2.443 -0.956 -8.269 1.00 0.00 O ATOM 622 CB ILE A 58 -4.585 -1.674 -10.609 1.00 0.00 C ATOM 623 CG1 ILE A 58 -5.590 -1.799 -9.460 1.00 0.00 C ATOM 624 CG2 ILE A 58 -5.088 -2.435 -11.830 1.00 0.00 C ATOM 625 CD1 ILE A 58 -5.577 -0.597 -8.545 1.00 0.00 C ATOM 0 H ILE A 58 -3.840 -4.086 -10.708 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.453 -1.545 -10.757 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.499 -0.613 -10.846 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.592 -1.928 -9.870 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.365 -2.695 -8.881 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.084 -2.079 -12.096 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.409 -2.271 -12.666 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.132 -3.500 -11.602 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.308 -0.738 -7.749 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.584 -0.481 -8.110 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.830 0.297 -9.115 1.00 0.00 H new ATOM 637 N ALA A 59 -3.133 -3.071 -7.961 1.00 0.00 N ATOM 638 CA ALA A 59 -2.807 -3.072 -6.543 1.00 0.00 C ATOM 639 C ALA A 59 -1.300 -2.971 -6.369 1.00 0.00 C ATOM 640 O ALA A 59 -0.806 -2.284 -5.477 1.00 0.00 O ATOM 641 CB ALA A 59 -3.339 -4.324 -5.866 1.00 0.00 C ATOM 0 H ALA A 59 -3.556 -3.935 -8.301 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.281 -2.211 -6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.083 -4.302 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.423 -4.365 -5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.894 -5.205 -6.328 1.00 0.00 H new ATOM 647 N THR A 60 -0.576 -3.660 -7.242 1.00 0.00 N ATOM 648 CA THR A 60 0.872 -3.564 -7.289 1.00 0.00 C ATOM 649 C THR A 60 1.307 -2.138 -7.613 1.00 0.00 C ATOM 650 O THR A 60 2.237 -1.609 -7.007 1.00 0.00 O ATOM 651 CB THR A 60 1.435 -4.527 -8.340 1.00 0.00 C ATOM 652 OG1 THR A 60 1.048 -5.863 -8.011 1.00 0.00 O ATOM 653 CG2 THR A 60 2.946 -4.426 -8.418 1.00 0.00 C ATOM 0 H THR A 60 -0.975 -4.296 -7.932 1.00 0.00 H new ATOM 0 HA THR A 60 1.263 -3.836 -6.308 1.00 0.00 H new ATOM 0 HB THR A 60 1.031 -4.256 -9.315 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.082 -5.966 -8.144 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.319 -5.120 -9.171 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.229 -3.409 -8.690 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.378 -4.676 -7.449 1.00 0.00 H new ATOM 661 N ASP A 61 0.600 -1.529 -8.557 1.00 0.00 N ATOM 662 CA ASP A 61 0.859 -0.154 -8.987 1.00 0.00 C ATOM 663 C ASP A 61 0.915 0.787 -7.786 1.00 0.00 C ATOM 664 O ASP A 61 1.862 1.553 -7.618 1.00 0.00 O ATOM 665 CB ASP A 61 -0.260 0.307 -9.926 1.00 0.00 C ATOM 666 CG ASP A 61 0.219 1.287 -10.972 1.00 0.00 C ATOM 667 OD1 ASP A 61 0.851 0.844 -11.953 1.00 0.00 O ATOM 668 OD2 ASP A 61 -0.048 2.497 -10.830 1.00 0.00 O ATOM 0 H ASP A 61 -0.174 -1.974 -9.050 1.00 0.00 H new ATOM 0 HA ASP A 61 1.819 -0.130 -9.502 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.694 -0.562 -10.421 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.054 0.769 -9.339 1.00 0.00 H new ATOM 673 N LEU A 62 -0.104 0.692 -6.944 1.00 0.00 N ATOM 674 CA LEU A 62 -0.213 1.517 -5.743 1.00 0.00 C ATOM 675 C LEU A 62 0.841 1.126 -4.713 1.00 0.00 C ATOM 676 O LEU A 62 1.355 1.971 -3.984 1.00 0.00 O ATOM 677 CB LEU A 62 -1.611 1.352 -5.144 1.00 0.00 C ATOM 678 CG LEU A 62 -2.760 1.547 -6.125 1.00 0.00 C ATOM 679 CD1 LEU A 62 -4.085 1.293 -5.432 1.00 0.00 C ATOM 680 CD2 LEU A 62 -2.724 2.944 -6.719 1.00 0.00 C ATOM 0 H LEU A 62 -0.880 0.042 -7.071 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.047 2.559 -6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.689 0.355 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.726 2.064 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.650 0.831 -6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.900 1.435 -6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.108 0.271 -5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.201 1.990 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.552 3.064 -7.417 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.812 3.681 -5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.781 3.091 -7.246 1.00 0.00 H new ATOM 692 N ARG A 63 1.157 -0.159 -4.660 1.00 0.00 N ATOM 693 CA ARG A 63 2.149 -0.663 -3.716 1.00 0.00 C ATOM 694 C ARG A 63 3.537 -0.129 -4.043 1.00 0.00 C ATOM 695 O ARG A 63 4.385 -0.009 -3.161 1.00 0.00 O ATOM 696 CB ARG A 63 2.148 -2.190 -3.680 1.00 0.00 C ATOM 697 CG ARG A 63 0.926 -2.757 -2.980 1.00 0.00 C ATOM 698 CD ARG A 63 0.985 -4.267 -2.858 1.00 0.00 C ATOM 699 NE ARG A 63 0.856 -4.936 -4.156 1.00 0.00 N ATOM 700 CZ ARG A 63 0.648 -6.248 -4.308 1.00 0.00 C ATOM 701 NH1 ARG A 63 0.491 -7.029 -3.247 1.00 0.00 N ATOM 702 NH2 ARG A 63 0.590 -6.777 -5.523 1.00 0.00 N ATOM 0 H ARG A 63 0.742 -0.873 -5.258 1.00 0.00 H new ATOM 0 HA ARG A 63 1.876 -0.304 -2.724 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.189 -2.574 -4.699 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.047 -2.538 -3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.842 -2.317 -1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.029 -2.473 -3.531 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.929 -4.555 -2.396 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.189 -4.607 -2.196 1.00 0.00 H new ATOM 0 HE ARG A 63 0.930 -4.364 -4.997 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.529 -6.629 -2.309 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.333 -8.029 -3.369 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.704 -6.183 -6.344 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.431 -7.778 -5.636 1.00 0.00 H new ATOM 716 N GLN A 64 3.768 0.184 -5.312 1.00 0.00 N ATOM 717 CA GLN A 64 5.012 0.822 -5.719 1.00 0.00 C ATOM 718 C GLN A 64 5.130 2.187 -5.052 1.00 0.00 C ATOM 719 O GLN A 64 6.211 2.586 -4.634 1.00 0.00 O ATOM 720 CB GLN A 64 5.089 0.966 -7.239 1.00 0.00 C ATOM 721 CG GLN A 64 4.922 -0.351 -7.982 1.00 0.00 C ATOM 722 CD GLN A 64 5.163 -0.228 -9.474 1.00 0.00 C ATOM 723 OE1 GLN A 64 6.073 0.649 -9.859 1.00 0.00 O flip ATOM 724 NE2 GLN A 64 4.544 -0.927 -10.275 1.00 0.00 N flip ATOM 0 H GLN A 64 3.113 0.007 -6.074 1.00 0.00 H new ATOM 0 HA GLN A 64 5.843 0.191 -5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.317 1.661 -7.570 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.050 1.406 -7.506 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.613 -1.085 -7.568 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.915 -0.731 -7.813 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.848 -1.593 -9.939 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.726 -0.840 -11.275 1.00 0.00 H new ATOM 733 N LYS A 65 4.003 2.881 -4.925 1.00 0.00 N ATOM 734 CA LYS A 65 3.971 4.159 -4.226 1.00 0.00 C ATOM 735 C LYS A 65 4.300 3.958 -2.753 1.00 0.00 C ATOM 736 O LYS A 65 5.067 4.724 -2.170 1.00 0.00 O ATOM 737 CB LYS A 65 2.608 4.829 -4.361 1.00 0.00 C ATOM 738 CG LYS A 65 2.512 6.158 -3.619 1.00 0.00 C ATOM 739 CD LYS A 65 3.174 7.300 -4.375 1.00 0.00 C ATOM 740 CE LYS A 65 4.630 7.410 -3.992 1.00 0.00 C ATOM 741 NZ LYS A 65 5.327 8.544 -4.659 1.00 0.00 N ATOM 0 H LYS A 65 3.102 2.580 -5.297 1.00 0.00 H new ATOM 0 HA LYS A 65 4.719 4.809 -4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.395 4.995 -5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.840 4.154 -3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.463 6.400 -3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.979 6.057 -2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.085 7.134 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.661 8.236 -4.154 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.707 7.530 -2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.137 6.480 -4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.260 8.683 -4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.446 8.332 -5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.762 9.410 -4.552 1.00 0.00 H new ATOM 755 N VAL A 66 3.712 2.925 -2.163 1.00 0.00 N ATOM 756 CA VAL A 66 4.008 2.560 -0.784 1.00 0.00 C ATOM 757 C VAL A 66 5.510 2.314 -0.609 1.00 0.00 C ATOM 758 O VAL A 66 6.096 2.693 0.405 1.00 0.00 O ATOM 759 CB VAL A 66 3.194 1.319 -0.341 1.00 0.00 C ATOM 760 CG1 VAL A 66 3.679 0.810 1.002 1.00 0.00 C ATOM 761 CG2 VAL A 66 1.714 1.658 -0.265 1.00 0.00 C ATOM 0 H VAL A 66 3.026 2.324 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 66 3.714 3.392 -0.145 1.00 0.00 H new ATOM 0 HB VAL A 66 3.340 0.534 -1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.093 -0.062 1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.730 0.533 0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.562 1.593 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.154 0.776 0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.561 2.460 0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.364 1.981 -1.245 1.00 0.00 H new ATOM 771 N TYR A 67 6.129 1.709 -1.619 1.00 0.00 N ATOM 772 CA TYR A 67 7.572 1.495 -1.628 1.00 0.00 C ATOM 773 C TYR A 67 8.323 2.829 -1.677 1.00 0.00 C ATOM 774 O TYR A 67 9.232 3.066 -0.881 1.00 0.00 O ATOM 775 CB TYR A 67 7.961 0.610 -2.822 1.00 0.00 C ATOM 776 CG TYR A 67 9.448 0.562 -3.107 1.00 0.00 C ATOM 777 CD1 TYR A 67 10.297 -0.187 -2.304 1.00 0.00 C ATOM 778 CD2 TYR A 67 10.001 1.264 -4.173 1.00 0.00 C ATOM 779 CE1 TYR A 67 11.655 -0.239 -2.552 1.00 0.00 C ATOM 780 CE2 TYR A 67 11.360 1.216 -4.428 1.00 0.00 C ATOM 781 CZ TYR A 67 12.176 0.484 -3.649 1.00 0.00 C ATOM 782 OH TYR A 67 13.536 0.413 -3.862 1.00 0.00 O ATOM 0 H TYR A 67 5.649 1.356 -2.447 1.00 0.00 H new ATOM 0 HA TYR A 67 7.854 0.988 -0.705 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.606 -0.404 -2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.445 0.972 -3.711 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.889 -0.739 -1.470 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.360 1.855 -4.811 1.00 0.00 H new ATOM 0 HE1 TYR A 67 12.307 -0.822 -1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.769 1.771 -5.259 1.00 0.00 H new ATOM 0 HH TYR A 67 13.773 0.951 -4.646 1.00 0.00 H new ATOM 792 N GLU A 68 7.941 3.697 -2.613 1.00 0.00 N ATOM 793 CA GLU A 68 8.595 4.998 -2.768 1.00 0.00 C ATOM 794 C GLU A 68 8.465 5.841 -1.499 1.00 0.00 C ATOM 795 O GLU A 68 9.456 6.349 -0.978 1.00 0.00 O ATOM 796 CB GLU A 68 7.983 5.766 -3.941 1.00 0.00 C ATOM 797 CG GLU A 68 7.944 4.981 -5.237 1.00 0.00 C ATOM 798 CD GLU A 68 7.382 5.790 -6.388 1.00 0.00 C ATOM 799 OE1 GLU A 68 6.149 5.980 -6.440 1.00 0.00 O ATOM 800 OE2 GLU A 68 8.169 6.242 -7.246 1.00 0.00 O ATOM 0 H GLU A 68 7.184 3.525 -3.274 1.00 0.00 H new ATOM 0 HA GLU A 68 9.652 4.811 -2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.968 6.064 -3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.553 6.682 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.952 4.650 -5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.339 4.085 -5.097 1.00 0.00 H new ATOM 807 N LEU A 69 7.240 5.951 -0.992 1.00 0.00 N ATOM 808 CA LEU A 69 6.935 6.805 0.158 1.00 0.00 C ATOM 809 C LEU A 69 7.773 6.451 1.383 1.00 0.00 C ATOM 810 O LEU A 69 8.049 7.315 2.221 1.00 0.00 O ATOM 811 CB LEU A 69 5.447 6.724 0.495 1.00 0.00 C ATOM 812 CG LEU A 69 4.522 7.392 -0.523 1.00 0.00 C ATOM 813 CD1 LEU A 69 3.080 7.307 -0.066 1.00 0.00 C ATOM 814 CD2 LEU A 69 4.914 8.845 -0.722 1.00 0.00 C ATOM 0 H LEU A 69 6.431 5.453 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 69 7.190 7.827 -0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.166 5.675 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.284 7.184 1.470 1.00 0.00 H new ATOM 0 HG LEU A 69 4.623 6.865 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.436 7.787 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.793 6.261 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.972 7.812 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.246 9.306 -1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.838 9.376 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.940 8.898 -1.087 1.00 0.00 H new ATOM 826 N MET A 70 8.173 5.190 1.491 1.00 0.00 N ATOM 827 CA MET A 70 9.032 4.759 2.589 1.00 0.00 C ATOM 828 C MET A 70 10.325 5.563 2.592 1.00 0.00 C ATOM 829 O MET A 70 10.698 6.149 3.606 1.00 0.00 O ATOM 830 CB MET A 70 9.377 3.271 2.479 1.00 0.00 C ATOM 831 CG MET A 70 8.192 2.338 2.621 1.00 0.00 C ATOM 832 SD MET A 70 8.666 0.605 2.504 1.00 0.00 S ATOM 833 CE MET A 70 7.056 -0.165 2.604 1.00 0.00 C ATOM 0 H MET A 70 7.919 4.451 0.836 1.00 0.00 H new ATOM 0 HA MET A 70 8.484 4.926 3.516 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.851 3.091 1.514 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.111 3.024 3.246 1.00 0.00 H new ATOM 0 HG2 MET A 70 7.706 2.515 3.581 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.459 2.565 1.846 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.984 -0.956 1.858 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.917 -0.590 3.598 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.284 0.581 2.417 1.00 0.00 H new ATOM 843 N GLN A 71 10.989 5.615 1.440 1.00 0.00 N ATOM 844 CA GLN A 71 12.261 6.313 1.326 1.00 0.00 C ATOM 845 C GLN A 71 12.050 7.795 1.035 1.00 0.00 C ATOM 846 O GLN A 71 13.006 8.564 0.957 1.00 0.00 O ATOM 847 CB GLN A 71 13.137 5.673 0.250 1.00 0.00 C ATOM 848 CG GLN A 71 12.413 5.419 -1.058 1.00 0.00 C ATOM 849 CD GLN A 71 13.349 4.984 -2.167 1.00 0.00 C ATOM 850 OE1 GLN A 71 14.519 5.360 -2.195 1.00 0.00 O ATOM 851 NE2 GLN A 71 12.838 4.185 -3.089 1.00 0.00 N ATOM 0 H GLN A 71 10.666 5.182 0.575 1.00 0.00 H new ATOM 0 HA GLN A 71 12.776 6.227 2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.994 6.319 0.061 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.528 4.728 0.628 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.654 4.651 -0.906 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.892 6.326 -1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.862 3.896 -3.029 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.420 3.858 -3.860 1.00 0.00 H new ATOM 860 N GLU A 72 10.796 8.189 0.851 1.00 0.00 N ATOM 861 CA GLU A 72 10.453 9.605 0.770 1.00 0.00 C ATOM 862 C GLU A 72 10.365 10.176 2.173 1.00 0.00 C ATOM 863 O GLU A 72 10.403 11.389 2.373 1.00 0.00 O ATOM 864 CB GLU A 72 9.123 9.826 0.050 1.00 0.00 C ATOM 865 CG GLU A 72 9.119 9.346 -1.391 1.00 0.00 C ATOM 866 CD GLU A 72 7.862 9.734 -2.150 1.00 0.00 C ATOM 867 OE1 GLU A 72 7.295 10.808 -1.860 1.00 0.00 O ATOM 868 OE2 GLU A 72 7.432 8.956 -3.035 1.00 0.00 O ATOM 0 H GLU A 72 10.004 7.554 0.755 1.00 0.00 H new ATOM 0 HA GLU A 72 11.232 10.110 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.334 9.310 0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.882 10.889 0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.987 9.757 -1.906 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.224 8.261 -1.406 1.00 0.00 H new ATOM 875 N GLY A 73 10.199 9.283 3.139 1.00 0.00 N ATOM 876 CA GLY A 73 10.218 9.683 4.524 1.00 0.00 C ATOM 877 C GLY A 73 8.838 10.015 5.027 1.00 0.00 C ATOM 878 O GLY A 73 8.668 10.872 5.892 1.00 0.00 O ATOM 0 H GLY A 73 10.051 8.286 2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.643 8.881 5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.867 10.550 4.643 1.00 0.00 H new ATOM 882 N LYS A 74 7.842 9.353 4.456 1.00 0.00 N ATOM 883 CA LYS A 74 6.463 9.565 4.855 1.00 0.00 C ATOM 884 C LYS A 74 6.159 8.741 6.102 1.00 0.00 C ATOM 885 O LYS A 74 6.863 7.781 6.407 1.00 0.00 O ATOM 886 CB LYS A 74 5.516 9.148 3.731 1.00 0.00 C ATOM 887 CG LYS A 74 5.902 9.694 2.366 1.00 0.00 C ATOM 888 CD LYS A 74 5.593 11.177 2.232 1.00 0.00 C ATOM 889 CE LYS A 74 6.809 11.959 1.764 1.00 0.00 C ATOM 890 NZ LYS A 74 7.719 12.309 2.889 1.00 0.00 N ATOM 0 H LYS A 74 7.966 8.664 3.714 1.00 0.00 H new ATOM 0 HA LYS A 74 6.318 10.624 5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.485 8.060 3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.508 9.485 3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.967 9.530 2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.369 9.142 1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.775 11.317 1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.255 11.568 3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.355 11.371 1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.482 12.872 1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.717 13.339 3.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.392 11.841 3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.684 11.992 2.666 1.00 0.00 H new ATOM 904 N SER A 75 5.108 9.113 6.800 1.00 0.00 N ATOM 905 CA SER A 75 4.661 8.379 7.975 1.00 0.00 C ATOM 906 C SER A 75 3.520 7.451 7.584 1.00 0.00 C ATOM 907 O SER A 75 3.051 7.516 6.458 1.00 0.00 O ATOM 908 CB SER A 75 4.228 9.360 9.056 1.00 0.00 C ATOM 909 OG SER A 75 5.315 10.178 9.453 1.00 0.00 O ATOM 0 H SER A 75 4.538 9.928 6.575 1.00 0.00 H new ATOM 0 HA SER A 75 5.477 7.775 8.372 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.414 9.983 8.684 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.844 8.814 9.917 1.00 0.00 H new ATOM 0 HG SER A 75 5.018 10.803 10.147 1.00 0.00 H new ATOM 915 N LYS A 76 3.074 6.594 8.493 1.00 0.00 N ATOM 916 CA LYS A 76 2.070 5.586 8.149 1.00 0.00 C ATOM 917 C LYS A 76 0.793 6.227 7.611 1.00 0.00 C ATOM 918 O LYS A 76 0.338 5.894 6.517 1.00 0.00 O ATOM 919 CB LYS A 76 1.757 4.699 9.353 1.00 0.00 C ATOM 920 CG LYS A 76 2.657 3.469 9.480 1.00 0.00 C ATOM 921 CD LYS A 76 4.099 3.808 9.845 1.00 0.00 C ATOM 922 CE LYS A 76 4.962 4.073 8.619 1.00 0.00 C ATOM 923 NZ LYS A 76 6.380 4.328 8.986 1.00 0.00 N ATOM 0 H LYS A 76 3.385 6.573 9.464 1.00 0.00 H new ATOM 0 HA LYS A 76 2.489 4.964 7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.846 5.295 10.261 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.720 4.370 9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.245 2.803 10.238 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.648 2.922 8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.110 4.686 10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.529 2.986 10.417 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.909 3.218 7.946 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.567 4.931 8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.935 4.504 8.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.433 5.160 9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.765 3.499 9.482 1.00 0.00 H new ATOM 937 N LYS A 77 0.236 7.160 8.372 1.00 0.00 N ATOM 938 CA LYS A 77 -0.965 7.881 7.954 1.00 0.00 C ATOM 939 C LYS A 77 -0.652 8.756 6.751 1.00 0.00 C ATOM 940 O LYS A 77 -1.495 8.973 5.887 1.00 0.00 O ATOM 941 CB LYS A 77 -1.492 8.756 9.093 1.00 0.00 C ATOM 942 CG LYS A 77 -1.536 8.053 10.434 1.00 0.00 C ATOM 943 CD LYS A 77 -2.425 6.829 10.387 1.00 0.00 C ATOM 944 CE LYS A 77 -2.542 6.172 11.752 1.00 0.00 C ATOM 945 NZ LYS A 77 -3.646 5.182 11.789 1.00 0.00 N ATOM 0 H LYS A 77 0.596 7.438 9.285 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.728 7.150 7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.863 9.642 9.178 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.495 9.100 8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.527 7.761 10.727 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.902 8.741 11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.416 7.112 10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.022 6.113 9.671 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.602 5.679 12.001 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.712 6.936 12.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.612 4.658 12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.558 5.676 11.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.543 4.517 10.996 1.00 0.00 H new ATOM 959 N GLU A 78 0.569 9.246 6.712 1.00 0.00 N ATOM 960 CA GLU A 78 1.027 10.101 5.631 1.00 0.00 C ATOM 961 C GLU A 78 1.125 9.322 4.318 1.00 0.00 C ATOM 962 O GLU A 78 0.744 9.828 3.270 1.00 0.00 O ATOM 963 CB GLU A 78 2.371 10.722 6.012 1.00 0.00 C ATOM 964 CG GLU A 78 2.982 11.600 4.940 1.00 0.00 C ATOM 965 CD GLU A 78 2.146 12.829 4.642 1.00 0.00 C ATOM 966 OE1 GLU A 78 2.044 13.710 5.523 1.00 0.00 O ATOM 967 OE2 GLU A 78 1.590 12.926 3.533 1.00 0.00 O ATOM 0 H GLU A 78 1.274 9.065 7.427 1.00 0.00 H new ATOM 0 HA GLU A 78 0.302 10.900 5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.240 11.314 6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.072 9.922 6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.978 11.911 5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.104 11.019 4.026 1.00 0.00 H new ATOM 974 N ILE A 79 1.623 8.086 4.379 1.00 0.00 N ATOM 975 CA ILE A 79 1.678 7.234 3.197 1.00 0.00 C ATOM 976 C ILE A 79 0.271 6.999 2.652 1.00 0.00 C ATOM 977 O ILE A 79 0.006 7.238 1.477 1.00 0.00 O ATOM 978 CB ILE A 79 2.362 5.862 3.467 1.00 0.00 C ATOM 979 CG1 ILE A 79 3.878 5.957 3.279 1.00 0.00 C ATOM 980 CG2 ILE A 79 1.806 4.789 2.538 1.00 0.00 C ATOM 981 CD1 ILE A 79 4.690 5.840 4.554 1.00 0.00 C ATOM 0 H ILE A 79 1.991 7.658 5.229 1.00 0.00 H new ATOM 0 HA ILE A 79 2.286 7.762 2.463 1.00 0.00 H new ATOM 0 HB ILE A 79 2.149 5.589 4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.194 5.172 2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.111 6.910 2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.298 3.839 2.744 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.733 4.685 2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.988 5.075 1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.751 5.919 4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.410 6.641 5.239 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.494 4.876 5.023 1.00 0.00 H new ATOM 993 N VAL A 80 -0.638 6.559 3.518 1.00 0.00 N ATOM 994 CA VAL A 80 -1.994 6.250 3.088 1.00 0.00 C ATOM 995 C VAL A 80 -2.738 7.519 2.665 1.00 0.00 C ATOM 996 O VAL A 80 -3.539 7.498 1.726 1.00 0.00 O ATOM 997 CB VAL A 80 -2.792 5.476 4.167 1.00 0.00 C ATOM 998 CG1 VAL A 80 -2.730 6.171 5.514 1.00 0.00 C ATOM 999 CG2 VAL A 80 -4.229 5.312 3.733 1.00 0.00 C ATOM 0 H VAL A 80 -0.461 6.410 4.511 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.910 5.594 2.222 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.334 4.493 4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.301 5.599 6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.692 6.242 5.839 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.152 7.172 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.780 4.767 4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.680 6.294 3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.265 4.757 2.796 1.00 0.00 H new ATOM 1009 N ASP A 81 -2.456 8.626 3.340 1.00 0.00 N ATOM 1010 CA ASP A 81 -3.024 9.914 2.959 1.00 0.00 C ATOM 1011 C ASP A 81 -2.502 10.325 1.594 1.00 0.00 C ATOM 1012 O ASP A 81 -3.242 10.847 0.766 1.00 0.00 O ATOM 1013 CB ASP A 81 -2.682 10.993 3.987 1.00 0.00 C ATOM 1014 CG ASP A 81 -3.219 12.354 3.593 1.00 0.00 C ATOM 1015 OD1 ASP A 81 -4.419 12.613 3.826 1.00 0.00 O ATOM 1016 OD2 ASP A 81 -2.449 13.175 3.050 1.00 0.00 O ATOM 0 H ASP A 81 -1.839 8.659 4.152 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.108 9.808 2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.091 10.710 4.957 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.600 11.052 4.103 1.00 0.00 H new ATOM 1021 N TYR A 82 -1.223 10.060 1.368 1.00 0.00 N ATOM 1022 CA TYR A 82 -0.582 10.348 0.091 1.00 0.00 C ATOM 1023 C TYR A 82 -1.299 9.589 -1.008 1.00 0.00 C ATOM 1024 O TYR A 82 -1.560 10.115 -2.095 1.00 0.00 O ATOM 1025 CB TYR A 82 0.884 9.910 0.118 1.00 0.00 C ATOM 1026 CG TYR A 82 1.734 10.522 -0.976 1.00 0.00 C ATOM 1027 CD1 TYR A 82 1.748 9.981 -2.256 1.00 0.00 C ATOM 1028 CD2 TYR A 82 2.528 11.632 -0.725 1.00 0.00 C ATOM 1029 CE1 TYR A 82 2.528 10.527 -3.253 1.00 0.00 C ATOM 1030 CE2 TYR A 82 3.315 12.184 -1.720 1.00 0.00 C ATOM 1031 CZ TYR A 82 3.309 11.626 -2.982 1.00 0.00 C ATOM 1032 OH TYR A 82 4.091 12.163 -3.978 1.00 0.00 O ATOM 0 H TYR A 82 -0.602 9.641 2.061 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.631 11.421 -0.093 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.312 10.172 1.085 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.929 8.824 0.033 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.137 9.117 -2.474 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.532 12.071 0.262 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.526 10.094 -4.242 1.00 0.00 H new ATOM 0 HE2 TYR A 82 3.930 13.046 -1.510 1.00 0.00 H new ATOM 0 HH TYR A 82 4.582 12.936 -3.628 1.00 0.00 H new ATOM 1042 N MET A 83 -1.612 8.341 -0.693 1.00 0.00 N ATOM 1043 CA MET A 83 -2.296 7.454 -1.610 1.00 0.00 C ATOM 1044 C MET A 83 -3.636 8.036 -2.023 1.00 0.00 C ATOM 1045 O MET A 83 -3.896 8.205 -3.202 1.00 0.00 O ATOM 1046 CB MET A 83 -2.504 6.083 -0.970 1.00 0.00 C ATOM 1047 CG MET A 83 -1.212 5.397 -0.569 1.00 0.00 C ATOM 1048 SD MET A 83 -0.160 5.010 -1.979 1.00 0.00 S ATOM 1049 CE MET A 83 -1.254 3.972 -2.941 1.00 0.00 C ATOM 0 H MET A 83 -1.396 7.918 0.210 1.00 0.00 H new ATOM 0 HA MET A 83 -1.674 7.342 -2.498 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.135 6.195 -0.088 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.043 5.443 -1.669 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.665 6.039 0.122 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.446 4.477 -0.033 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.796 2.993 -3.082 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.202 3.857 -2.415 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.432 4.433 -3.913 1.00 0.00 H new ATOM 1059 N VAL A 84 -4.486 8.350 -1.049 1.00 0.00 N ATOM 1060 CA VAL A 84 -5.822 8.874 -1.359 1.00 0.00 C ATOM 1061 C VAL A 84 -5.744 10.263 -1.979 1.00 0.00 C ATOM 1062 O VAL A 84 -6.591 10.642 -2.787 1.00 0.00 O ATOM 1063 CB VAL A 84 -6.758 8.920 -0.123 1.00 0.00 C ATOM 1064 CG1 VAL A 84 -6.716 7.608 0.631 1.00 0.00 C ATOM 1065 CG2 VAL A 84 -6.434 10.092 0.795 1.00 0.00 C ATOM 0 H VAL A 84 -4.283 8.255 -0.054 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.250 8.175 -2.078 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.773 9.073 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.380 7.663 1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.040 6.801 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.698 7.415 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.114 10.085 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.407 10.004 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.549 11.027 0.246 1.00 0.00 H new ATOM 1075 N ALA A 85 -4.724 11.016 -1.600 1.00 0.00 N ATOM 1076 CA ALA A 85 -4.554 12.365 -2.094 1.00 0.00 C ATOM 1077 C ALA A 85 -4.285 12.359 -3.599 1.00 0.00 C ATOM 1078 O ALA A 85 -4.885 13.123 -4.355 1.00 0.00 O ATOM 1079 CB ALA A 85 -3.429 13.063 -1.345 1.00 0.00 C ATOM 0 H ALA A 85 -4.001 10.711 -0.949 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.477 12.918 -1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.312 14.077 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.668 13.101 -0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.500 12.512 -1.488 1.00 0.00 H new ATOM 1085 N ARG A 86 -3.391 11.477 -4.031 1.00 0.00 N ATOM 1086 CA ARG A 86 -3.025 11.389 -5.442 1.00 0.00 C ATOM 1087 C ARG A 86 -3.843 10.316 -6.164 1.00 0.00 C ATOM 1088 O ARG A 86 -4.511 10.591 -7.163 1.00 0.00 O ATOM 1089 CB ARG A 86 -1.528 11.080 -5.593 1.00 0.00 C ATOM 1090 CG ARG A 86 -0.602 12.298 -5.538 1.00 0.00 C ATOM 1091 CD ARG A 86 -0.626 12.998 -4.186 1.00 0.00 C ATOM 1092 NE ARG A 86 -1.455 14.206 -4.200 1.00 0.00 N ATOM 1093 CZ ARG A 86 -1.420 15.147 -3.252 1.00 0.00 C ATOM 1094 NH1 ARG A 86 -0.600 15.025 -2.213 1.00 0.00 N ATOM 1095 NH2 ARG A 86 -2.208 16.212 -3.339 1.00 0.00 N ATOM 0 H ARG A 86 -2.906 10.813 -3.427 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.242 12.356 -5.897 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.236 10.385 -4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.373 10.568 -6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.418 11.984 -5.761 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.894 13.006 -6.314 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.003 12.310 -3.430 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.392 13.262 -3.898 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.098 14.337 -4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.008 14.209 -2.136 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.578 15.747 -1.493 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.842 16.314 -4.131 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.179 16.929 -2.614 1.00 0.00 H new ATOM 1109 N TYR A 87 -3.806 9.105 -5.633 1.00 0.00 N ATOM 1110 CA TYR A 87 -4.411 7.941 -6.274 1.00 0.00 C ATOM 1111 C TYR A 87 -5.809 7.672 -5.732 1.00 0.00 C ATOM 1112 O TYR A 87 -6.253 6.530 -5.701 1.00 0.00 O ATOM 1113 CB TYR A 87 -3.539 6.707 -6.037 1.00 0.00 C ATOM 1114 CG TYR A 87 -2.101 6.868 -6.483 1.00 0.00 C ATOM 1115 CD1 TYR A 87 -1.748 6.792 -7.827 1.00 0.00 C ATOM 1116 CD2 TYR A 87 -1.095 7.095 -5.553 1.00 0.00 C ATOM 1117 CE1 TYR A 87 -0.431 6.937 -8.225 1.00 0.00 C ATOM 1118 CE2 TYR A 87 0.219 7.239 -5.944 1.00 0.00 C ATOM 1119 CZ TYR A 87 0.546 7.161 -7.280 1.00 0.00 C ATOM 1120 OH TYR A 87 1.856 7.303 -7.668 1.00 0.00 O ATOM 0 H TYR A 87 -3.355 8.897 -4.742 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.486 8.150 -7.341 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.553 6.465 -4.974 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.978 5.859 -6.563 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.513 6.617 -8.569 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.347 7.160 -4.505 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.170 6.875 -9.271 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.989 7.412 -5.206 1.00 0.00 H new ATOM 0 HH TYR A 87 2.232 8.111 -7.261 1.00 0.00 H new ATOM 1130 N GLY A 88 -6.511 8.726 -5.337 1.00 0.00 N ATOM 1131 CA GLY A 88 -7.795 8.564 -4.671 1.00 0.00 C ATOM 1132 C GLY A 88 -8.871 7.925 -5.534 1.00 0.00 C ATOM 1133 O GLY A 88 -9.944 7.593 -5.043 1.00 0.00 O ATOM 0 H GLY A 88 -6.216 9.694 -5.465 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.654 7.956 -3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.145 9.542 -4.339 1.00 0.00 H new ATOM 1137 N ASN A 89 -8.596 7.754 -6.818 1.00 0.00 N ATOM 1138 CA ASN A 89 -9.542 7.088 -7.708 1.00 0.00 C ATOM 1139 C ASN A 89 -9.351 5.582 -7.643 1.00 0.00 C ATOM 1140 O ASN A 89 -10.258 4.809 -7.945 1.00 0.00 O ATOM 1141 CB ASN A 89 -9.375 7.577 -9.150 1.00 0.00 C ATOM 1142 CG ASN A 89 -9.749 9.036 -9.327 1.00 0.00 C ATOM 1143 OD1 ASN A 89 -9.619 9.843 -8.409 1.00 0.00 O ATOM 1144 ND2 ASN A 89 -10.208 9.386 -10.517 1.00 0.00 N ATOM 0 H ASN A 89 -7.734 8.063 -7.267 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.551 7.334 -7.378 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.340 7.433 -9.459 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.993 6.967 -9.809 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.468 10.355 -10.698 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.301 8.687 -11.253 1.00 0.00 H new ATOM 1151 N PHE A 90 -8.166 5.184 -7.219 1.00 0.00 N ATOM 1152 CA PHE A 90 -7.799 3.777 -7.137 1.00 0.00 C ATOM 1153 C PHE A 90 -7.782 3.323 -5.686 1.00 0.00 C ATOM 1154 O PHE A 90 -7.882 2.133 -5.393 1.00 0.00 O ATOM 1155 CB PHE A 90 -6.413 3.547 -7.753 1.00 0.00 C ATOM 1156 CG PHE A 90 -6.265 4.067 -9.154 1.00 0.00 C ATOM 1157 CD1 PHE A 90 -6.574 3.267 -10.242 1.00 0.00 C ATOM 1158 CD2 PHE A 90 -5.804 5.354 -9.383 1.00 0.00 C ATOM 1159 CE1 PHE A 90 -6.427 3.741 -11.530 1.00 0.00 C ATOM 1160 CE2 PHE A 90 -5.654 5.833 -10.670 1.00 0.00 C ATOM 1161 CZ PHE A 90 -5.966 5.024 -11.745 1.00 0.00 C ATOM 0 H PHE A 90 -7.429 5.824 -6.921 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.539 3.199 -7.691 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.664 4.023 -7.120 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.200 2.478 -7.750 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.934 2.262 -10.081 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.559 5.990 -8.545 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -6.673 3.108 -12.370 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.294 6.838 -10.835 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.849 5.395 -12.753 1.00 0.00 H new ATOM 1171 N VAL A 91 -7.651 4.286 -4.781 1.00 0.00 N ATOM 1172 CA VAL A 91 -7.478 3.994 -3.367 1.00 0.00 C ATOM 1173 C VAL A 91 -8.513 4.745 -2.526 1.00 0.00 C ATOM 1174 O VAL A 91 -9.252 5.583 -3.040 1.00 0.00 O ATOM 1175 CB VAL A 91 -6.055 4.387 -2.882 1.00 0.00 C ATOM 1176 CG1 VAL A 91 -5.036 4.281 -4.002 1.00 0.00 C ATOM 1177 CG2 VAL A 91 -6.042 5.792 -2.324 1.00 0.00 C ATOM 0 H VAL A 91 -7.662 5.281 -5.005 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.615 2.920 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.782 3.685 -2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.052 4.563 -3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.004 3.255 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.319 4.949 -4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.034 6.042 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.354 6.494 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.729 5.855 -1.480 1.00 0.00 H new ATOM 1187 N THR A 92 -8.563 4.429 -1.239 1.00 0.00 N ATOM 1188 CA THR A 92 -9.385 5.162 -0.286 1.00 0.00 C ATOM 1189 C THR A 92 -8.840 4.955 1.124 1.00 0.00 C ATOM 1190 O THR A 92 -8.274 3.909 1.416 1.00 0.00 O ATOM 1191 CB THR A 92 -10.862 4.686 -0.331 1.00 0.00 C ATOM 1192 OG1 THR A 92 -11.399 4.821 -1.653 1.00 0.00 O ATOM 1193 CG2 THR A 92 -11.722 5.472 0.639 1.00 0.00 C ATOM 0 H THR A 92 -8.036 3.659 -0.827 1.00 0.00 H new ATOM 0 HA THR A 92 -9.352 6.218 -0.555 1.00 0.00 H new ATOM 0 HB THR A 92 -10.873 3.635 -0.041 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.827 5.418 -2.179 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.751 5.116 0.584 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.344 5.336 1.652 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.690 6.530 0.379 1.00 0.00 H new ATOM 1201 N TYR A 93 -8.973 5.947 1.987 1.00 0.00 N ATOM 1202 CA TYR A 93 -8.623 5.753 3.379 1.00 0.00 C ATOM 1203 C TYR A 93 -9.903 5.602 4.183 1.00 0.00 C ATOM 1204 O TYR A 93 -10.611 6.572 4.449 1.00 0.00 O ATOM 1205 CB TYR A 93 -7.758 6.911 3.895 1.00 0.00 C ATOM 1206 CG TYR A 93 -7.157 6.661 5.266 1.00 0.00 C ATOM 1207 CD1 TYR A 93 -7.022 5.368 5.761 1.00 0.00 C ATOM 1208 CD2 TYR A 93 -6.706 7.711 6.054 1.00 0.00 C ATOM 1209 CE1 TYR A 93 -6.458 5.131 6.999 1.00 0.00 C ATOM 1210 CE2 TYR A 93 -6.142 7.481 7.295 1.00 0.00 C ATOM 1211 CZ TYR A 93 -6.020 6.189 7.761 1.00 0.00 C ATOM 1212 OH TYR A 93 -5.454 5.956 8.993 1.00 0.00 O ATOM 0 H TYR A 93 -9.315 6.879 1.752 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.026 4.848 3.489 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.953 7.096 3.184 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.364 7.816 3.933 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.365 4.534 5.166 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.797 8.724 5.692 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.361 4.120 7.367 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.799 8.309 7.897 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.051 5.063 9.004 1.00 0.00 H new ATOM 1222 N ASP A 94 -10.185 4.364 4.548 1.00 0.00 N ATOM 1223 CA ASP A 94 -11.440 3.986 5.180 1.00 0.00 C ATOM 1224 C ASP A 94 -11.251 2.663 5.893 1.00 0.00 C ATOM 1225 O ASP A 94 -10.300 1.940 5.594 1.00 0.00 O ATOM 1226 CB ASP A 94 -12.539 3.819 4.124 1.00 0.00 C ATOM 1227 CG ASP A 94 -13.520 4.974 4.085 1.00 0.00 C ATOM 1228 OD1 ASP A 94 -14.049 5.350 5.150 1.00 0.00 O ATOM 1229 OD2 ASP A 94 -13.747 5.532 2.992 1.00 0.00 O ATOM 0 H ASP A 94 -9.543 3.583 4.413 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.732 4.766 5.884 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -12.076 3.712 3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.084 2.896 4.321 1.00 0.00 H new ATOM 1234 N PRO A 95 -12.125 2.326 6.852 1.00 0.00 N ATOM 1235 CA PRO A 95 -12.184 0.974 7.404 1.00 0.00 C ATOM 1236 C PRO A 95 -12.538 -0.024 6.306 1.00 0.00 C ATOM 1237 O PRO A 95 -13.605 0.064 5.690 1.00 0.00 O ATOM 1238 CB PRO A 95 -13.291 1.048 8.460 1.00 0.00 C ATOM 1239 CG PRO A 95 -14.086 2.259 8.102 1.00 0.00 C ATOM 1240 CD PRO A 95 -13.116 3.219 7.475 1.00 0.00 C ATOM 0 HA PRO A 95 -11.236 0.643 7.827 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.910 0.151 8.446 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.874 1.132 9.464 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.889 2.008 7.410 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.552 2.696 8.986 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.601 3.860 6.739 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.659 3.874 8.217 1.00 0.00 H new ATOM 1248 N PRO A 96 -11.631 -0.965 6.024 1.00 0.00 N ATOM 1249 CA PRO A 96 -11.756 -1.871 4.891 1.00 0.00 C ATOM 1250 C PRO A 96 -12.574 -3.119 5.209 1.00 0.00 C ATOM 1251 O PRO A 96 -13.290 -3.175 6.210 1.00 0.00 O ATOM 1252 CB PRO A 96 -10.300 -2.238 4.604 1.00 0.00 C ATOM 1253 CG PRO A 96 -9.602 -2.156 5.923 1.00 0.00 C ATOM 1254 CD PRO A 96 -10.408 -1.226 6.801 1.00 0.00 C ATOM 0 HA PRO A 96 -12.283 -1.414 4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -10.224 -3.240 4.181 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.857 -1.552 3.882 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -9.524 -3.143 6.379 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.586 -1.782 5.798 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -10.638 -1.685 7.762 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.864 -0.305 7.010 1.00 0.00 H new ATOM 1262 N LEU A 97 -12.444 -4.121 4.352 1.00 0.00 N ATOM 1263 CA LEU A 97 -13.179 -5.372 4.485 1.00 0.00 C ATOM 1264 C LEU A 97 -12.460 -6.312 5.439 1.00 0.00 C ATOM 1265 O LEU A 97 -12.595 -7.534 5.358 1.00 0.00 O ATOM 1266 CB LEU A 97 -13.306 -6.049 3.128 1.00 0.00 C ATOM 1267 CG LEU A 97 -14.220 -5.362 2.101 1.00 0.00 C ATOM 1268 CD1 LEU A 97 -15.596 -5.106 2.694 1.00 0.00 C ATOM 1269 CD2 LEU A 97 -13.608 -4.068 1.588 1.00 0.00 C ATOM 0 H LEU A 97 -11.824 -4.090 3.542 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.170 -5.145 4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -12.309 -6.134 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -13.672 -7.063 3.286 1.00 0.00 H new ATOM 0 HG LEU A 97 -14.328 -6.036 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -16.228 -4.619 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -16.047 -6.053 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -15.501 -4.462 3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -14.281 -3.609 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.451 -3.384 2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.652 -4.282 1.110 1.00 0.00 H new ATOM 1281 N THR A 98 -11.658 -5.724 6.300 1.00 0.00 N ATOM 1282 CA THR A 98 -10.943 -6.461 7.325 1.00 0.00 C ATOM 1283 C THR A 98 -11.912 -7.300 8.165 1.00 0.00 C ATOM 1284 O THR A 98 -12.902 -6.783 8.685 1.00 0.00 O ATOM 1285 CB THR A 98 -10.122 -5.508 8.235 1.00 0.00 C ATOM 1286 OG1 THR A 98 -9.446 -6.247 9.263 1.00 0.00 O ATOM 1287 CG2 THR A 98 -11.008 -4.445 8.872 1.00 0.00 C ATOM 0 H THR A 98 -11.482 -4.719 6.311 1.00 0.00 H new ATOM 0 HA THR A 98 -10.246 -7.133 6.825 1.00 0.00 H new ATOM 0 HB THR A 98 -9.385 -5.012 7.603 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.933 -5.630 9.825 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.401 -3.795 9.502 1.00 0.00 H new ATOM 0 HG22 THR A 98 -11.483 -3.852 8.091 1.00 0.00 H new ATOM 0 HG23 THR A 98 -11.775 -4.926 9.479 1.00 0.00 H new ATOM 1295 N PRO A 99 -11.649 -8.613 8.280 1.00 0.00 N ATOM 1296 CA PRO A 99 -12.507 -9.532 9.030 1.00 0.00 C ATOM 1297 C PRO A 99 -12.518 -9.214 10.521 1.00 0.00 C ATOM 1298 O PRO A 99 -13.570 -8.784 11.031 1.00 0.00 O ATOM 1299 CB PRO A 99 -11.890 -10.909 8.768 1.00 0.00 C ATOM 1300 CG PRO A 99 -10.480 -10.636 8.376 1.00 0.00 C ATOM 1301 CD PRO A 99 -10.490 -9.302 7.684 1.00 0.00 C ATOM 0 HA PRO A 99 -13.549 -9.465 8.717 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -11.937 -11.537 9.657 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -12.424 -11.436 7.977 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.829 -10.616 9.250 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.102 -11.415 7.714 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.564 -8.753 7.857 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -10.599 -9.411 6.605 1.00 0.00 H new TER 1309 PRO A 99