USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 THR OG1 : rot -63:sc= -0.797 USER MOD Set 1.2: A 82 SER OG : rot -170:sc= 0.695 USER MOD Set 2.1: A 35 HIS : no HE2:sc= -4.65 K(o=-5.6,f=-12!) USER MOD Set 2.2: A 79 TYR OH : rot -131:sc= -0.921 USER MOD Set 3.1: A 71 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 74 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.4) USER MOD Set 4.1: A 16 TYR OH : rot -177:sc= 0.577 USER MOD Set 4.2: A 68 SER OG : rot -152:sc= 0.0215 USER MOD Set 5.1: A 64 ASN : amide:sc= 0.01 X(o=-5.1,f=-4.9) USER MOD Set 5.2: A 65 ASN : amide:sc= -5.14! C(o=-5.1!,f=-4.9!) USER MOD Set 6.1: A 45 GLN : amide:sc= -3.88! C(o=-2.6!,f=-3.5!) USER MOD Set 6.2: A 49 ASN : amide:sc= -0.354 K(o=-2.6,f=-9.5!) USER MOD Set 6.3: A 52 LYS NZ :NH3+ 127:sc= 1.2 (180deg=0) USER MOD Set 6.4: A 88 SER OG : rot 21:sc= 0.435 USER MOD Set 7.1: A 40 SER OG : rot 180:sc= 0.439 USER MOD Set 7.2: A 41 SER OG : rot 180:sc= 0.025 USER MOD Set 8.1: A 15 THR OG1 : rot 180:sc= 0.578 USER MOD Set 8.2: A 18 GLN : amide:sc= -5.38! C(o=-4.8!,f=-9.4!) USER MOD Set 9.1: A 8 SER OG : rot 180:sc= 1.1 USER MOD Set 9.2: A 11 LYS NZ :NH3+ -133:sc= 1.21 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.97 K(o=-0.97,f=-5.3!) USER MOD Single : A 5 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.12) USER MOD Single : A 9 LYS NZ :NH3+ -129:sc= -0.161 (180deg=-0.92) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.126 USER MOD Single : A 29 ASN : amide:sc= -2.09! C(o=-2.1!,f=-5.7!) USER MOD Single : A 36 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.1) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 1.3 K(o=1.3,f=-3.4!) USER MOD Single : A 46 THR OG1 : rot 120:sc= 1.27 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 60 ASN : amide:sc= -1.39! K(o=-1.4!,f=-0.5) USER MOD Single : A 62 ASN : amide:sc= -2.34! K(o=-2.3!,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ -110:sc= 1.04 (180deg=-1.59) USER MOD Single : A 76 ASN : amide:sc= -2.98! K(o=-3!,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 22 N ASN A 2 -7.719 -0.280 9.809 1.00 0.00 N ATOM 23 CA ASN A 2 -8.024 1.172 9.539 1.00 0.00 C ATOM 24 C ASN A 2 -6.780 1.980 9.058 1.00 0.00 C ATOM 25 O ASN A 2 -5.702 1.475 8.810 1.00 0.00 O ATOM 26 CB ASN A 2 -8.574 1.838 10.861 1.00 0.00 C ATOM 27 CG ASN A 2 -7.420 2.277 11.779 1.00 0.00 C ATOM 28 OD1 ASN A 2 -6.421 1.618 11.953 1.00 0.00 O ATOM 29 ND2 ASN A 2 -7.475 3.399 12.412 1.00 0.00 N ATOM 0 HA ASN A 2 -8.762 1.198 8.737 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.191 2.701 10.608 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.215 1.132 11.389 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.703 3.682 13.016 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.290 4.003 12.309 1.00 0.00 H new ATOM 36 N CYS A 3 -7.036 3.254 8.969 1.00 0.00 N ATOM 37 CA CYS A 3 -6.054 4.298 8.544 1.00 0.00 C ATOM 38 C CYS A 3 -4.771 4.437 9.394 1.00 0.00 C ATOM 39 O CYS A 3 -3.672 4.390 8.881 1.00 0.00 O ATOM 40 CB CYS A 3 -6.839 5.586 8.519 1.00 0.00 C ATOM 41 SG CYS A 3 -7.752 5.861 6.989 1.00 0.00 S ATOM 0 H CYS A 3 -7.954 3.641 9.190 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.644 4.008 7.577 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.540 5.588 9.353 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.154 6.420 8.676 1.00 0.00 H new ATOM 46 N GLY A 4 -4.934 4.606 10.688 1.00 0.00 N ATOM 47 CA GLY A 4 -3.704 4.748 11.557 1.00 0.00 C ATOM 48 C GLY A 4 -2.834 3.533 11.312 1.00 0.00 C ATOM 49 O GLY A 4 -1.649 3.662 11.067 1.00 0.00 O ATOM 0 H GLY A 4 -5.830 4.652 11.173 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.164 5.663 11.312 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.983 4.815 12.609 1.00 0.00 H new ATOM 53 N GLN A 5 -3.483 2.393 11.405 1.00 0.00 N ATOM 54 CA GLN A 5 -2.831 1.060 11.177 1.00 0.00 C ATOM 55 C GLN A 5 -2.024 1.273 9.892 1.00 0.00 C ATOM 56 O GLN A 5 -0.812 1.205 9.871 1.00 0.00 O ATOM 57 CB GLN A 5 -4.007 0.063 11.044 1.00 0.00 C ATOM 58 CG GLN A 5 -3.752 -1.176 10.122 1.00 0.00 C ATOM 59 CD GLN A 5 -2.959 -2.272 10.802 1.00 0.00 C ATOM 60 OE1 GLN A 5 -1.990 -2.768 10.278 1.00 0.00 O ATOM 61 NE2 GLN A 5 -3.296 -2.720 11.962 1.00 0.00 N ATOM 0 H GLN A 5 -4.474 2.331 11.638 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.164 0.678 11.949 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.267 -0.297 12.039 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.874 0.603 10.663 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.710 -1.580 9.794 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.219 -0.852 9.228 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.107 -2.331 12.443 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.751 -3.463 12.400 1.00 0.00 H new ATOM 70 N VAL A 6 -2.777 1.529 8.849 1.00 0.00 N ATOM 71 CA VAL A 6 -2.146 1.774 7.525 1.00 0.00 C ATOM 72 C VAL A 6 -0.893 2.641 7.580 1.00 0.00 C ATOM 73 O VAL A 6 0.169 2.137 7.310 1.00 0.00 O ATOM 74 CB VAL A 6 -3.221 2.418 6.594 1.00 0.00 C ATOM 75 CG1 VAL A 6 -2.848 3.793 6.013 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.444 1.524 5.404 1.00 0.00 C ATOM 0 H VAL A 6 -3.796 1.578 8.862 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.804 0.815 7.137 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.095 2.544 7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.660 4.153 5.381 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.681 4.499 6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.939 3.702 5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.194 1.969 4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.509 1.407 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.791 0.548 5.742 1.00 0.00 H new ATOM 86 N ASP A 7 -1.015 3.882 7.938 1.00 0.00 N ATOM 87 CA ASP A 7 0.168 4.757 7.981 1.00 0.00 C ATOM 88 C ASP A 7 1.284 4.213 8.841 1.00 0.00 C ATOM 89 O ASP A 7 2.369 4.015 8.326 1.00 0.00 O ATOM 90 CB ASP A 7 -0.398 6.112 8.414 1.00 0.00 C ATOM 91 CG ASP A 7 0.694 7.176 8.620 1.00 0.00 C ATOM 92 OD1 ASP A 7 1.674 6.870 9.281 1.00 0.00 O ATOM 93 OD2 ASP A 7 0.479 8.248 8.099 1.00 0.00 O ATOM 0 H ASP A 7 -1.893 4.327 8.204 1.00 0.00 H new ATOM 0 HA ASP A 7 0.675 4.838 7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.104 6.463 7.661 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.957 5.987 9.341 1.00 0.00 H new ATOM 98 N SER A 8 1.005 3.955 10.089 1.00 0.00 N ATOM 99 CA SER A 8 2.119 3.426 10.919 1.00 0.00 C ATOM 100 C SER A 8 2.682 2.141 10.313 1.00 0.00 C ATOM 101 O SER A 8 3.847 1.859 10.506 1.00 0.00 O ATOM 102 CB SER A 8 1.631 3.161 12.359 1.00 0.00 C ATOM 103 OG SER A 8 2.109 4.308 13.076 1.00 0.00 O ATOM 0 H SER A 8 0.104 4.079 10.550 1.00 0.00 H new ATOM 0 HA SER A 8 2.912 4.173 10.944 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.545 3.077 12.409 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.041 2.234 12.760 1.00 0.00 H new ATOM 0 HG SER A 8 1.846 4.238 14.018 1.00 0.00 H new ATOM 109 N LYS A 9 1.886 1.384 9.593 1.00 0.00 N ATOM 110 CA LYS A 9 2.420 0.118 8.991 1.00 0.00 C ATOM 111 C LYS A 9 3.207 0.490 7.702 1.00 0.00 C ATOM 112 O LYS A 9 4.378 0.192 7.609 1.00 0.00 O ATOM 113 CB LYS A 9 1.201 -0.803 8.696 1.00 0.00 C ATOM 114 CG LYS A 9 1.564 -2.303 8.686 1.00 0.00 C ATOM 115 CD LYS A 9 2.865 -2.578 7.881 1.00 0.00 C ATOM 116 CE LYS A 9 2.826 -3.932 7.244 1.00 0.00 C ATOM 117 NZ LYS A 9 2.412 -4.975 8.246 1.00 0.00 N ATOM 0 H LYS A 9 0.905 1.583 9.398 1.00 0.00 H new ATOM 0 HA LYS A 9 3.103 -0.411 9.656 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.430 -0.627 9.446 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.774 -0.532 7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.690 -2.653 9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.742 -2.873 8.253 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.990 -1.814 7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.728 -2.508 8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.128 -3.926 6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.808 -4.178 6.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.093 -5.761 8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.390 -4.554 9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.466 -5.332 8.004 1.00 0.00 H new ATOM 131 N MET A 10 2.570 1.103 6.742 1.00 0.00 N ATOM 132 CA MET A 10 3.193 1.537 5.447 1.00 0.00 C ATOM 133 C MET A 10 4.528 2.337 5.692 1.00 0.00 C ATOM 134 O MET A 10 5.572 2.096 5.113 1.00 0.00 O ATOM 135 CB MET A 10 2.126 2.388 4.712 1.00 0.00 C ATOM 136 CG MET A 10 0.850 1.562 4.386 1.00 0.00 C ATOM 137 SD MET A 10 0.175 1.671 2.700 1.00 0.00 S ATOM 138 CE MET A 10 0.597 0.071 1.950 1.00 0.00 C ATOM 0 H MET A 10 1.579 1.336 6.805 1.00 0.00 H new ATOM 0 HA MET A 10 3.479 0.679 4.839 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.856 3.244 5.330 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.549 2.782 3.788 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.068 0.514 4.592 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.067 1.867 5.080 1.00 0.00 H new ATOM 0 HE1 MET A 10 0.229 0.041 0.925 1.00 0.00 H new ATOM 0 HE2 MET A 10 1.679 -0.057 1.950 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.137 -0.733 2.524 1.00 0.00 H new ATOM 148 N LYS A 11 4.419 3.294 6.584 1.00 0.00 N ATOM 149 CA LYS A 11 5.536 4.217 7.002 1.00 0.00 C ATOM 150 C LYS A 11 7.001 3.818 6.654 1.00 0.00 C ATOM 151 O LYS A 11 7.567 4.427 5.764 1.00 0.00 O ATOM 152 CB LYS A 11 5.281 4.418 8.527 1.00 0.00 C ATOM 153 CG LYS A 11 6.399 5.188 9.282 1.00 0.00 C ATOM 154 CD LYS A 11 5.811 5.630 10.661 1.00 0.00 C ATOM 155 CE LYS A 11 5.460 4.445 11.574 1.00 0.00 C ATOM 156 NZ LYS A 11 4.806 4.986 12.815 1.00 0.00 N ATOM 0 H LYS A 11 3.544 3.486 7.072 1.00 0.00 H new ATOM 0 HA LYS A 11 5.491 5.132 6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.341 4.954 8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.156 3.440 8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.274 4.554 9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.723 6.055 8.707 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.532 6.271 11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.916 6.229 10.493 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.790 3.755 11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.359 3.884 11.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.232 4.542 13.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.945 6.016 12.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.788 4.775 12.791 1.00 0.00 H new ATOM 170 N PRO A 12 7.616 2.846 7.288 1.00 0.00 N ATOM 171 CA PRO A 12 9.057 2.513 7.001 1.00 0.00 C ATOM 172 C PRO A 12 9.324 2.329 5.478 1.00 0.00 C ATOM 173 O PRO A 12 10.327 2.752 4.913 1.00 0.00 O ATOM 174 CB PRO A 12 9.303 1.246 7.865 1.00 0.00 C ATOM 175 CG PRO A 12 7.870 0.668 8.075 1.00 0.00 C ATOM 176 CD PRO A 12 7.017 1.930 8.298 1.00 0.00 C ATOM 0 HA PRO A 12 9.756 3.308 7.259 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.953 0.534 7.357 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.780 1.493 8.814 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.532 0.101 7.208 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.828 -0.004 8.932 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.957 1.751 8.118 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.107 2.317 9.313 1.00 0.00 H new ATOM 184 N CYS A 13 8.379 1.705 4.825 1.00 0.00 N ATOM 185 CA CYS A 13 8.523 1.463 3.359 1.00 0.00 C ATOM 186 C CYS A 13 8.183 2.766 2.642 1.00 0.00 C ATOM 187 O CYS A 13 8.708 3.027 1.577 1.00 0.00 O ATOM 188 CB CYS A 13 7.587 0.392 2.930 1.00 0.00 C ATOM 189 SG CYS A 13 7.705 -1.136 3.893 1.00 0.00 S ATOM 0 H CYS A 13 7.517 1.354 5.241 1.00 0.00 H new ATOM 0 HA CYS A 13 9.539 1.147 3.120 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.567 0.770 2.996 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.774 0.161 1.881 1.00 0.00 H new ATOM 194 N LEU A 14 7.285 3.554 3.212 1.00 0.00 N ATOM 195 CA LEU A 14 6.944 4.873 2.551 1.00 0.00 C ATOM 196 C LEU A 14 8.337 5.427 2.308 1.00 0.00 C ATOM 197 O LEU A 14 8.657 5.959 1.266 1.00 0.00 O ATOM 198 CB LEU A 14 6.217 5.851 3.465 1.00 0.00 C ATOM 199 CG LEU A 14 4.903 5.291 3.925 1.00 0.00 C ATOM 200 CD1 LEU A 14 4.148 6.403 4.621 1.00 0.00 C ATOM 201 CD2 LEU A 14 4.092 4.733 2.781 1.00 0.00 C ATOM 0 H LEU A 14 6.787 3.351 4.079 1.00 0.00 H new ATOM 0 HA LEU A 14 6.290 4.740 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.841 6.077 4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.050 6.790 2.938 1.00 0.00 H new ATOM 0 HG LEU A 14 5.084 4.460 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.186 6.027 4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.728 6.759 5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.986 7.225 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.150 4.339 3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.889 5.524 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.650 3.933 2.295 1.00 0.00 H new ATOM 213 N THR A 15 9.160 5.272 3.317 1.00 0.00 N ATOM 214 CA THR A 15 10.536 5.764 3.137 1.00 0.00 C ATOM 215 C THR A 15 11.093 4.988 1.954 1.00 0.00 C ATOM 216 O THR A 15 11.475 5.573 0.964 1.00 0.00 O ATOM 217 CB THR A 15 11.265 5.552 4.467 1.00 0.00 C ATOM 218 OG1 THR A 15 11.666 6.872 4.770 1.00 0.00 O ATOM 219 CG2 THR A 15 12.531 4.780 4.363 1.00 0.00 C ATOM 0 H THR A 15 8.941 4.843 4.216 1.00 0.00 H new ATOM 0 HA THR A 15 10.636 6.825 2.907 1.00 0.00 H new ATOM 0 HB THR A 15 10.626 5.016 5.168 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.154 6.879 5.620 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.978 4.679 5.352 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.321 3.790 3.957 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.223 5.304 3.704 1.00 0.00 H new ATOM 227 N TYR A 16 11.154 3.705 2.039 1.00 0.00 N ATOM 228 CA TYR A 16 11.686 2.926 0.839 1.00 0.00 C ATOM 229 C TYR A 16 11.243 3.546 -0.546 1.00 0.00 C ATOM 230 O TYR A 16 12.100 3.869 -1.352 1.00 0.00 O ATOM 231 CB TYR A 16 11.196 1.495 0.997 1.00 0.00 C ATOM 232 CG TYR A 16 10.992 0.765 -0.327 1.00 0.00 C ATOM 233 CD1 TYR A 16 12.029 0.433 -1.167 1.00 0.00 C ATOM 234 CD2 TYR A 16 9.699 0.435 -0.673 1.00 0.00 C ATOM 235 CE1 TYR A 16 11.762 -0.226 -2.343 1.00 0.00 C ATOM 236 CE2 TYR A 16 9.429 -0.224 -1.849 1.00 0.00 C ATOM 237 CZ TYR A 16 10.475 -0.550 -2.679 1.00 0.00 C ATOM 238 OH TYR A 16 10.231 -1.218 -3.847 1.00 0.00 O ATOM 0 H TYR A 16 10.876 3.148 2.847 1.00 0.00 H new ATOM 0 HA TYR A 16 12.775 2.970 0.823 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.914 0.940 1.601 1.00 0.00 H new ATOM 0 HB3 TYR A 16 10.255 1.502 1.547 1.00 0.00 H new ATOM 0 HD1 TYR A 16 13.045 0.688 -0.905 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.887 0.698 -0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 16 12.572 -0.490 -3.006 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.414 -0.481 -2.116 1.00 0.00 H new ATOM 0 HH TYR A 16 9.265 -1.332 -3.963 1.00 0.00 H new ATOM 248 N VAL A 17 9.959 3.701 -0.760 1.00 0.00 N ATOM 249 CA VAL A 17 9.461 4.281 -2.039 1.00 0.00 C ATOM 250 C VAL A 17 10.013 5.689 -2.274 1.00 0.00 C ATOM 251 O VAL A 17 10.163 6.003 -3.439 1.00 0.00 O ATOM 252 CB VAL A 17 7.894 4.338 -2.094 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.304 2.935 -1.930 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.328 5.162 -0.986 1.00 0.00 C ATOM 0 H VAL A 17 9.230 3.447 -0.094 1.00 0.00 H new ATOM 0 HA VAL A 17 9.818 3.615 -2.825 1.00 0.00 H new ATOM 0 HB VAL A 17 7.639 4.775 -3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.216 2.991 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.664 2.293 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.611 2.521 -0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.241 5.175 -1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.620 4.733 -0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.709 6.181 -1.059 1.00 0.00 H new ATOM 264 N GLN A 18 10.287 6.493 -1.257 1.00 0.00 N ATOM 265 CA GLN A 18 10.838 7.864 -1.543 1.00 0.00 C ATOM 266 C GLN A 18 12.361 7.651 -1.794 1.00 0.00 C ATOM 267 O GLN A 18 12.976 8.391 -2.532 1.00 0.00 O ATOM 268 CB GLN A 18 10.783 8.857 -0.336 1.00 0.00 C ATOM 269 CG GLN A 18 10.248 8.295 0.953 1.00 0.00 C ATOM 270 CD GLN A 18 10.158 9.269 2.132 1.00 0.00 C ATOM 271 OE1 GLN A 18 9.731 10.395 1.968 1.00 0.00 O ATOM 272 NE2 GLN A 18 10.517 8.918 3.336 1.00 0.00 N ATOM 0 H GLN A 18 10.156 6.265 -0.272 1.00 0.00 H new ATOM 0 HA GLN A 18 10.251 8.285 -2.359 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.789 9.235 -0.155 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.168 9.711 -0.621 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.252 7.893 0.764 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.879 7.457 1.249 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.879 7.980 3.507 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.435 9.582 4.106 1.00 0.00 H new ATOM 281 N GLY A 19 12.899 6.652 -1.138 1.00 0.00 N ATOM 282 CA GLY A 19 14.357 6.279 -1.243 1.00 0.00 C ATOM 283 C GLY A 19 14.905 5.728 0.086 1.00 0.00 C ATOM 284 O GLY A 19 15.766 6.316 0.713 1.00 0.00 O ATOM 0 H GLY A 19 12.369 6.052 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.485 5.532 -2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.935 7.154 -1.539 1.00 0.00 H new ATOM 288 N GLY A 20 14.386 4.594 0.471 1.00 0.00 N ATOM 289 CA GLY A 20 14.838 3.940 1.767 1.00 0.00 C ATOM 290 C GLY A 20 15.717 2.711 1.537 1.00 0.00 C ATOM 291 O GLY A 20 15.832 2.277 0.409 1.00 0.00 O ATOM 0 H GLY A 20 13.670 4.081 -0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.389 4.668 2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.962 3.651 2.347 1.00 0.00 H new ATOM 295 N PRO A 21 16.304 2.158 2.578 1.00 0.00 N ATOM 296 CA PRO A 21 17.153 0.928 2.499 1.00 0.00 C ATOM 297 C PRO A 21 16.171 -0.263 2.542 1.00 0.00 C ATOM 298 O PRO A 21 16.265 -1.177 3.339 1.00 0.00 O ATOM 299 CB PRO A 21 18.080 1.035 3.733 1.00 0.00 C ATOM 300 CG PRO A 21 17.734 2.434 4.349 1.00 0.00 C ATOM 301 CD PRO A 21 16.257 2.638 3.978 1.00 0.00 C ATOM 0 HA PRO A 21 17.767 0.806 1.607 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.893 0.229 4.443 1.00 0.00 H new ATOM 0 HB3 PRO A 21 19.131 0.973 3.449 1.00 0.00 H new ATOM 0 HG2 PRO A 21 17.881 2.444 5.429 1.00 0.00 H new ATOM 0 HG3 PRO A 21 18.364 3.221 3.935 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.581 2.053 4.602 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.943 3.679 4.056 1.00 0.00 H new ATOM 309 N GLY A 22 15.250 -0.162 1.629 1.00 0.00 N ATOM 310 CA GLY A 22 14.166 -1.157 1.442 1.00 0.00 C ATOM 311 C GLY A 22 14.185 -1.720 0.007 1.00 0.00 C ATOM 312 O GLY A 22 15.037 -1.349 -0.772 1.00 0.00 O ATOM 0 H GLY A 22 15.206 0.615 0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.284 -1.970 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.201 -0.693 1.643 1.00 0.00 H new ATOM 316 N PRO A 23 13.262 -2.583 -0.327 1.00 0.00 N ATOM 317 CA PRO A 23 12.141 -3.053 0.513 1.00 0.00 C ATOM 318 C PRO A 23 12.406 -4.444 1.092 1.00 0.00 C ATOM 319 O PRO A 23 11.946 -5.425 0.529 1.00 0.00 O ATOM 320 CB PRO A 23 11.011 -2.978 -0.451 1.00 0.00 C ATOM 321 CG PRO A 23 11.676 -3.537 -1.785 1.00 0.00 C ATOM 322 CD PRO A 23 13.199 -3.201 -1.674 1.00 0.00 C ATOM 0 HA PRO A 23 11.956 -2.471 1.416 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.163 -3.584 -0.133 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.646 -1.958 -0.573 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.518 -4.611 -1.880 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.236 -3.071 -2.667 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.823 -4.092 -1.747 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.527 -2.517 -2.456 1.00 0.00 H new ATOM 330 N SER A 24 13.142 -4.438 2.175 1.00 0.00 N ATOM 331 CA SER A 24 13.587 -5.615 3.000 1.00 0.00 C ATOM 332 C SER A 24 12.757 -6.906 2.951 1.00 0.00 C ATOM 333 O SER A 24 13.211 -7.951 3.362 1.00 0.00 O ATOM 334 CB SER A 24 13.698 -5.092 4.439 1.00 0.00 C ATOM 335 OG SER A 24 14.522 -3.936 4.254 1.00 0.00 O ATOM 0 H SER A 24 13.490 -3.561 2.562 1.00 0.00 H new ATOM 0 HA SER A 24 14.523 -5.961 2.562 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.725 -4.840 4.861 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.156 -5.821 5.107 1.00 0.00 H new ATOM 0 HG SER A 24 14.671 -3.499 5.118 1.00 0.00 H new ATOM 341 N GLY A 25 11.553 -6.827 2.464 1.00 0.00 N ATOM 342 CA GLY A 25 10.630 -8.012 2.350 1.00 0.00 C ATOM 343 C GLY A 25 9.312 -7.679 3.016 1.00 0.00 C ATOM 344 O GLY A 25 8.267 -7.659 2.389 1.00 0.00 O ATOM 0 H GLY A 25 11.145 -5.956 2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.469 -8.263 1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.080 -8.886 2.822 1.00 0.00 H new ATOM 348 N GLU A 26 9.442 -7.428 4.290 1.00 0.00 N ATOM 349 CA GLU A 26 8.292 -7.069 5.175 1.00 0.00 C ATOM 350 C GLU A 26 7.193 -6.289 4.451 1.00 0.00 C ATOM 351 O GLU A 26 6.045 -6.662 4.515 1.00 0.00 O ATOM 352 CB GLU A 26 8.910 -6.292 6.368 1.00 0.00 C ATOM 353 CG GLU A 26 9.539 -4.874 6.026 1.00 0.00 C ATOM 354 CD GLU A 26 8.528 -3.718 6.158 1.00 0.00 C ATOM 355 OE1 GLU A 26 7.338 -3.976 6.055 1.00 0.00 O ATOM 356 OE2 GLU A 26 9.014 -2.618 6.360 1.00 0.00 O ATOM 0 H GLU A 26 10.338 -7.458 4.776 1.00 0.00 H new ATOM 0 HA GLU A 26 7.771 -7.963 5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.137 -6.152 7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.686 -6.912 6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.384 -4.688 6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.931 -4.892 5.009 1.00 0.00 H new ATOM 363 N CYS A 27 7.567 -5.238 3.783 1.00 0.00 N ATOM 364 CA CYS A 27 6.592 -4.399 3.035 1.00 0.00 C ATOM 365 C CYS A 27 5.509 -5.201 2.294 1.00 0.00 C ATOM 366 O CYS A 27 4.329 -5.127 2.569 1.00 0.00 O ATOM 367 CB CYS A 27 7.391 -3.572 2.066 1.00 0.00 C ATOM 368 SG CYS A 27 8.668 -2.465 2.714 1.00 0.00 S ATOM 0 H CYS A 27 8.533 -4.916 3.722 1.00 0.00 H new ATOM 0 HA CYS A 27 6.040 -3.787 3.748 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.871 -4.256 1.365 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.690 -2.967 1.491 1.00 0.00 H new ATOM 373 N CYS A 28 6.000 -5.959 1.346 1.00 0.00 N ATOM 374 CA CYS A 28 5.119 -6.821 0.494 1.00 0.00 C ATOM 375 C CYS A 28 4.203 -7.616 1.394 1.00 0.00 C ATOM 376 O CYS A 28 3.002 -7.704 1.234 1.00 0.00 O ATOM 377 CB CYS A 28 5.975 -7.771 -0.321 1.00 0.00 C ATOM 378 SG CYS A 28 6.407 -9.424 0.268 1.00 0.00 S ATOM 0 H CYS A 28 6.993 -6.019 1.121 1.00 0.00 H new ATOM 0 HA CYS A 28 4.531 -6.199 -0.181 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.473 -7.901 -1.280 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.914 -7.254 -0.521 1.00 0.00 H new ATOM 383 N ASN A 29 4.860 -8.185 2.364 1.00 0.00 N ATOM 384 CA ASN A 29 4.106 -9.015 3.353 1.00 0.00 C ATOM 385 C ASN A 29 2.953 -8.180 3.936 1.00 0.00 C ATOM 386 O ASN A 29 1.797 -8.518 3.846 1.00 0.00 O ATOM 387 CB ASN A 29 5.091 -9.470 4.450 1.00 0.00 C ATOM 388 CG ASN A 29 5.362 -10.946 4.276 1.00 0.00 C ATOM 389 OD1 ASN A 29 4.481 -11.762 4.130 1.00 0.00 O ATOM 390 ND2 ASN A 29 6.578 -11.364 4.282 1.00 0.00 N ATOM 0 H ASN A 29 5.866 -8.117 2.517 1.00 0.00 H new ATOM 0 HA ASN A 29 3.674 -9.898 2.882 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.020 -8.905 4.381 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.672 -9.277 5.438 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.776 -12.358 4.166 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.344 -10.702 4.403 1.00 0.00 H new ATOM 397 N GLY A 30 3.348 -7.094 4.513 1.00 0.00 N ATOM 398 CA GLY A 30 2.440 -6.115 5.144 1.00 0.00 C ATOM 399 C GLY A 30 1.274 -5.746 4.247 1.00 0.00 C ATOM 400 O GLY A 30 0.124 -5.736 4.652 1.00 0.00 O ATOM 0 H GLY A 30 4.331 -6.830 4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.060 -6.526 6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.000 -5.214 5.396 1.00 0.00 H new ATOM 404 N VAL A 31 1.605 -5.407 3.029 1.00 0.00 N ATOM 405 CA VAL A 31 0.520 -5.045 2.082 1.00 0.00 C ATOM 406 C VAL A 31 -0.389 -6.236 2.083 1.00 0.00 C ATOM 407 O VAL A 31 -1.584 -6.046 2.127 1.00 0.00 O ATOM 408 CB VAL A 31 0.996 -4.834 0.652 1.00 0.00 C ATOM 409 CG1 VAL A 31 -0.189 -4.148 -0.069 1.00 0.00 C ATOM 410 CG2 VAL A 31 2.138 -3.817 0.594 1.00 0.00 C ATOM 0 H VAL A 31 2.555 -5.366 2.659 1.00 0.00 H new ATOM 0 HA VAL A 31 0.064 -4.106 2.396 1.00 0.00 H new ATOM 0 HB VAL A 31 1.321 -5.783 0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.077 -3.962 -1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.064 -4.797 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.416 -3.202 0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.457 -3.687 -0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.795 -2.862 0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.977 -4.177 1.190 1.00 0.00 H new ATOM 420 N ARG A 32 0.152 -7.429 2.028 1.00 0.00 N ATOM 421 CA ARG A 32 -0.795 -8.582 2.049 1.00 0.00 C ATOM 422 C ARG A 32 -1.516 -8.511 3.404 1.00 0.00 C ATOM 423 O ARG A 32 -2.712 -8.649 3.379 1.00 0.00 O ATOM 424 CB ARG A 32 -0.091 -9.935 1.953 1.00 0.00 C ATOM 425 CG ARG A 32 0.531 -10.100 0.554 1.00 0.00 C ATOM 426 CD ARG A 32 0.834 -11.587 0.244 1.00 0.00 C ATOM 427 NE ARG A 32 2.151 -11.927 0.880 1.00 0.00 N ATOM 428 CZ ARG A 32 2.278 -12.805 1.792 1.00 0.00 C ATOM 429 NH1 ARG A 32 2.341 -14.039 1.511 1.00 0.00 N ATOM 430 NH2 ARG A 32 2.335 -12.323 2.951 1.00 0.00 N ATOM 0 H ARG A 32 1.147 -7.647 1.973 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.463 -8.511 1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.684 -10.007 2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.802 -10.740 2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.150 -9.701 -0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.451 -9.519 0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.044 -12.228 0.635 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.875 -11.753 -0.833 1.00 0.00 H new ATOM 0 HE ARG A 32 2.984 -11.430 0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.290 -14.344 0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.443 -14.727 2.257 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.279 -11.314 3.087 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.437 -12.941 3.756 1.00 0.00 H new ATOM 444 N ASP A 33 -0.877 -8.318 4.535 1.00 0.00 N ATOM 445 CA ASP A 33 -1.651 -8.243 5.848 1.00 0.00 C ATOM 446 C ASP A 33 -3.006 -7.505 5.627 1.00 0.00 C ATOM 447 O ASP A 33 -4.081 -8.034 5.835 1.00 0.00 O ATOM 448 CB ASP A 33 -0.882 -7.426 6.969 1.00 0.00 C ATOM 449 CG ASP A 33 0.542 -7.872 7.285 1.00 0.00 C ATOM 450 OD1 ASP A 33 1.075 -8.719 6.593 1.00 0.00 O ATOM 451 OD2 ASP A 33 1.041 -7.286 8.242 1.00 0.00 O ATOM 0 H ASP A 33 0.134 -8.209 4.621 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.786 -9.275 6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.852 -6.379 6.667 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.466 -7.476 7.888 1.00 0.00 H new ATOM 456 N LEU A 34 -2.890 -6.285 5.165 1.00 0.00 N ATOM 457 CA LEU A 34 -4.146 -5.493 4.931 1.00 0.00 C ATOM 458 C LEU A 34 -4.870 -5.896 3.633 1.00 0.00 C ATOM 459 O LEU A 34 -6.072 -5.756 3.558 1.00 0.00 O ATOM 460 CB LEU A 34 -3.821 -4.004 4.848 1.00 0.00 C ATOM 461 CG LEU A 34 -3.286 -3.363 6.190 1.00 0.00 C ATOM 462 CD1 LEU A 34 -1.863 -3.796 6.578 1.00 0.00 C ATOM 463 CD2 LEU A 34 -3.396 -1.827 6.193 1.00 0.00 C ATOM 0 H LEU A 34 -2.014 -5.812 4.945 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.803 -5.706 5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.075 -3.853 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.718 -3.468 4.539 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.950 -3.763 6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.576 -3.309 7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.835 -4.878 6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.167 -3.508 5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.015 -1.437 7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.811 -1.419 5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.440 -1.537 6.075 1.00 0.00 H new ATOM 475 N HIS A 35 -4.182 -6.396 2.638 1.00 0.00 N ATOM 476 CA HIS A 35 -4.893 -6.783 1.361 1.00 0.00 C ATOM 477 C HIS A 35 -5.640 -8.111 1.579 1.00 0.00 C ATOM 478 O HIS A 35 -6.498 -8.500 0.812 1.00 0.00 O ATOM 479 CB HIS A 35 -3.826 -6.907 0.258 1.00 0.00 C ATOM 480 CG HIS A 35 -4.389 -7.171 -1.140 1.00 0.00 C ATOM 481 ND1 HIS A 35 -5.263 -8.070 -1.431 1.00 0.00 N ATOM 482 CD2 HIS A 35 -4.115 -6.578 -2.354 1.00 0.00 C ATOM 483 CE1 HIS A 35 -5.524 -8.063 -2.699 1.00 0.00 C ATOM 484 NE2 HIS A 35 -4.827 -7.145 -3.311 1.00 0.00 N ATOM 0 H HIS A 35 -3.174 -6.555 2.644 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.630 -6.036 1.068 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.239 -5.989 0.232 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.143 -7.715 0.520 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -5.692 -8.702 -0.755 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.418 -5.766 -2.501 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.224 -8.727 -3.185 1.00 0.00 H new ATOM 492 N ASN A 36 -5.251 -8.769 2.624 1.00 0.00 N ATOM 493 CA ASN A 36 -5.817 -10.074 3.063 1.00 0.00 C ATOM 494 C ASN A 36 -6.871 -9.839 4.172 1.00 0.00 C ATOM 495 O ASN A 36 -7.949 -10.397 4.084 1.00 0.00 O ATOM 496 CB ASN A 36 -4.661 -10.944 3.591 1.00 0.00 C ATOM 497 CG ASN A 36 -3.603 -11.305 2.547 1.00 0.00 C ATOM 498 OD1 ASN A 36 -2.630 -11.948 2.867 1.00 0.00 O ATOM 499 ND2 ASN A 36 -3.663 -10.975 1.297 1.00 0.00 N ATOM 0 H ASN A 36 -4.509 -8.431 3.237 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.307 -10.579 2.230 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.176 -10.419 4.413 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.076 -11.865 4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.920 -11.258 0.659 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.454 -10.432 0.950 1.00 0.00 H new ATOM 506 N GLN A 37 -6.544 -9.016 5.149 1.00 0.00 N ATOM 507 CA GLN A 37 -7.481 -8.708 6.294 1.00 0.00 C ATOM 508 C GLN A 37 -8.580 -7.698 5.858 1.00 0.00 C ATOM 509 O GLN A 37 -9.664 -7.723 6.414 1.00 0.00 O ATOM 510 CB GLN A 37 -6.611 -8.139 7.499 1.00 0.00 C ATOM 511 CG GLN A 37 -5.701 -9.265 8.120 1.00 0.00 C ATOM 512 CD GLN A 37 -4.932 -8.792 9.376 1.00 0.00 C ATOM 513 OE1 GLN A 37 -5.502 -8.362 10.353 1.00 0.00 O ATOM 514 NE2 GLN A 37 -3.637 -8.843 9.429 1.00 0.00 N ATOM 0 H GLN A 37 -5.647 -8.533 5.204 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.999 -9.613 6.610 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.988 -7.317 7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.269 -7.733 8.267 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.320 -10.123 8.381 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.987 -9.604 7.369 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.108 -9.197 8.632 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.148 -8.529 10.267 1.00 0.00 H new ATOM 523 N ALA A 38 -8.294 -6.835 4.905 1.00 0.00 N ATOM 524 CA ALA A 38 -9.355 -5.873 4.450 1.00 0.00 C ATOM 525 C ALA A 38 -9.888 -6.520 3.121 1.00 0.00 C ATOM 526 O ALA A 38 -9.102 -7.006 2.329 1.00 0.00 O ATOM 527 CB ALA A 38 -8.689 -4.504 4.198 1.00 0.00 C ATOM 0 H ALA A 38 -7.394 -6.755 4.432 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.162 -5.706 5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.442 -3.789 3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.231 -4.147 5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.923 -4.608 3.429 1.00 0.00 H new ATOM 533 N GLN A 39 -11.175 -6.522 2.870 1.00 0.00 N ATOM 534 CA GLN A 39 -11.714 -7.144 1.601 1.00 0.00 C ATOM 535 C GLN A 39 -12.563 -6.307 0.631 1.00 0.00 C ATOM 536 O GLN A 39 -12.360 -6.412 -0.568 1.00 0.00 O ATOM 537 CB GLN A 39 -12.551 -8.402 1.967 1.00 0.00 C ATOM 538 CG GLN A 39 -11.635 -9.613 2.320 1.00 0.00 C ATOM 539 CD GLN A 39 -10.545 -9.842 1.265 1.00 0.00 C ATOM 540 OE1 GLN A 39 -10.722 -9.726 0.069 1.00 0.00 O ATOM 541 NE2 GLN A 39 -9.364 -10.178 1.653 1.00 0.00 N ATOM 0 H GLN A 39 -11.883 -6.121 3.485 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.794 -7.328 1.046 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.199 -8.176 2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.199 -8.666 1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.169 -9.443 3.291 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.244 -10.512 2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.166 -10.288 2.648 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.627 -10.334 0.966 1.00 0.00 H new ATOM 550 N SER A 40 -13.458 -5.514 1.161 1.00 0.00 N ATOM 551 CA SER A 40 -14.356 -4.666 0.297 1.00 0.00 C ATOM 552 C SER A 40 -13.886 -3.206 0.277 1.00 0.00 C ATOM 553 O SER A 40 -12.768 -2.864 0.623 1.00 0.00 O ATOM 554 CB SER A 40 -15.810 -4.771 0.872 1.00 0.00 C ATOM 555 OG SER A 40 -16.686 -4.184 -0.102 1.00 0.00 O ATOM 0 H SER A 40 -13.612 -5.412 2.164 1.00 0.00 H new ATOM 0 HA SER A 40 -14.328 -5.024 -0.732 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.079 -5.811 1.056 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.887 -4.249 1.826 1.00 0.00 H new ATOM 0 HG SER A 40 -17.611 -4.231 0.219 1.00 0.00 H new ATOM 561 N SER A 41 -14.771 -2.350 -0.136 1.00 0.00 N ATOM 562 CA SER A 41 -14.438 -0.892 -0.200 1.00 0.00 C ATOM 563 C SER A 41 -14.375 -0.431 1.262 1.00 0.00 C ATOM 564 O SER A 41 -13.340 0.052 1.680 1.00 0.00 O ATOM 565 CB SER A 41 -15.537 -0.141 -0.962 1.00 0.00 C ATOM 566 OG SER A 41 -16.713 -0.434 -0.219 1.00 0.00 O ATOM 0 H SER A 41 -15.716 -2.591 -0.435 1.00 0.00 H new ATOM 0 HA SER A 41 -13.500 -0.700 -0.721 1.00 0.00 H new ATOM 0 HB2 SER A 41 -15.341 0.931 -0.997 1.00 0.00 H new ATOM 0 HB3 SER A 41 -15.617 -0.485 -1.993 1.00 0.00 H new ATOM 0 HG SER A 41 -17.481 0.010 -0.634 1.00 0.00 H new ATOM 572 N GLY A 42 -15.475 -0.590 1.967 1.00 0.00 N ATOM 573 CA GLY A 42 -15.613 -0.215 3.429 1.00 0.00 C ATOM 574 C GLY A 42 -14.247 -0.109 4.095 1.00 0.00 C ATOM 575 O GLY A 42 -13.926 0.875 4.722 1.00 0.00 O ATOM 0 H GLY A 42 -16.329 -0.984 1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -16.139 0.736 3.517 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.216 -0.962 3.945 1.00 0.00 H new ATOM 579 N ASP A 43 -13.485 -1.149 3.899 1.00 0.00 N ATOM 580 CA ASP A 43 -12.110 -1.252 4.456 1.00 0.00 C ATOM 581 C ASP A 43 -10.957 -0.856 3.457 1.00 0.00 C ATOM 582 O ASP A 43 -10.309 0.147 3.714 1.00 0.00 O ATOM 583 CB ASP A 43 -12.013 -2.705 4.941 1.00 0.00 C ATOM 584 CG ASP A 43 -12.414 -3.644 3.798 1.00 0.00 C ATOM 585 OD1 ASP A 43 -13.580 -3.958 3.637 1.00 0.00 O ATOM 586 OD2 ASP A 43 -11.514 -4.026 3.091 1.00 0.00 O ATOM 0 H ASP A 43 -13.773 -1.962 3.354 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.960 -0.528 5.257 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.997 -2.925 5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.666 -2.859 5.800 1.00 0.00 H new ATOM 591 N ARG A 44 -10.716 -1.579 2.381 1.00 0.00 N ATOM 592 CA ARG A 44 -9.619 -1.232 1.411 1.00 0.00 C ATOM 593 C ARG A 44 -9.809 0.253 1.004 1.00 0.00 C ATOM 594 O ARG A 44 -8.854 0.982 1.050 1.00 0.00 O ATOM 595 CB ARG A 44 -9.706 -2.226 0.178 1.00 0.00 C ATOM 596 CG ARG A 44 -8.425 -3.126 -0.069 1.00 0.00 C ATOM 597 CD ARG A 44 -8.467 -4.492 0.681 1.00 0.00 C ATOM 598 NE ARG A 44 -8.094 -5.587 -0.311 1.00 0.00 N ATOM 599 CZ ARG A 44 -8.958 -6.492 -0.604 1.00 0.00 C ATOM 600 NH1 ARG A 44 -9.982 -6.026 -1.155 1.00 0.00 N ATOM 601 NH2 ARG A 44 -8.809 -7.734 -0.362 1.00 0.00 N ATOM 0 H ARG A 44 -11.246 -2.413 2.130 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.625 -1.342 1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.565 -2.881 0.322 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -9.897 -1.643 -0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.322 -3.311 -1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.538 -2.575 0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.773 -4.487 1.521 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.461 -4.671 1.090 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.168 -5.601 -0.738 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.058 -5.023 -1.324 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.739 -6.650 -1.434 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.959 -8.066 0.094 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.540 -8.396 -0.624 1.00 0.00 H new ATOM 615 N GLN A 45 -10.985 0.693 0.620 1.00 0.00 N ATOM 616 CA GLN A 45 -11.195 2.144 0.236 1.00 0.00 C ATOM 617 C GLN A 45 -10.690 3.092 1.353 1.00 0.00 C ATOM 618 O GLN A 45 -10.097 4.117 1.085 1.00 0.00 O ATOM 619 CB GLN A 45 -12.708 2.462 0.021 1.00 0.00 C ATOM 620 CG GLN A 45 -13.058 2.968 -1.391 1.00 0.00 C ATOM 621 CD GLN A 45 -12.246 4.166 -1.865 1.00 0.00 C ATOM 622 OE1 GLN A 45 -12.300 4.527 -3.021 1.00 0.00 O ATOM 623 NE2 GLN A 45 -11.481 4.844 -1.070 1.00 0.00 N ATOM 0 H GLN A 45 -11.820 0.111 0.553 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.638 2.301 -0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -13.288 1.562 0.225 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -13.016 3.212 0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.918 2.151 -2.098 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -14.115 3.233 -1.414 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.403 4.579 -0.088 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.957 5.643 -1.426 1.00 0.00 H new ATOM 632 N THR A 46 -10.943 2.722 2.573 1.00 0.00 N ATOM 633 CA THR A 46 -10.517 3.548 3.757 1.00 0.00 C ATOM 634 C THR A 46 -8.997 3.519 3.898 1.00 0.00 C ATOM 635 O THR A 46 -8.309 4.530 3.814 1.00 0.00 O ATOM 636 CB THR A 46 -11.177 2.972 5.006 1.00 0.00 C ATOM 637 OG1 THR A 46 -12.559 3.214 4.780 1.00 0.00 O ATOM 638 CG2 THR A 46 -10.844 3.831 6.201 1.00 0.00 C ATOM 0 H THR A 46 -11.438 1.864 2.816 1.00 0.00 H new ATOM 0 HA THR A 46 -10.824 4.585 3.620 1.00 0.00 H new ATOM 0 HB THR A 46 -10.881 1.937 5.178 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.044 2.362 4.775 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.317 3.416 7.091 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.763 3.855 6.342 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.210 4.844 6.034 1.00 0.00 H new ATOM 646 N VAL A 47 -8.521 2.316 4.102 1.00 0.00 N ATOM 647 CA VAL A 47 -7.051 2.100 4.254 1.00 0.00 C ATOM 648 C VAL A 47 -6.418 2.865 3.067 1.00 0.00 C ATOM 649 O VAL A 47 -5.450 3.569 3.250 1.00 0.00 O ATOM 650 CB VAL A 47 -6.846 0.555 4.239 1.00 0.00 C ATOM 651 CG1 VAL A 47 -5.679 0.136 3.371 1.00 0.00 C ATOM 652 CG2 VAL A 47 -6.647 0.029 5.680 1.00 0.00 C ATOM 0 H VAL A 47 -9.090 1.472 4.170 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.588 2.467 5.170 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.746 0.116 3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.579 -0.949 3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.853 0.462 2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.764 0.593 3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.505 -1.051 5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.769 0.501 6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.526 0.266 6.279 1.00 0.00 H new ATOM 662 N CYS A 48 -7.014 2.679 1.917 1.00 0.00 N ATOM 663 CA CYS A 48 -6.573 3.336 0.650 1.00 0.00 C ATOM 664 C CYS A 48 -6.529 4.832 0.885 1.00 0.00 C ATOM 665 O CYS A 48 -5.448 5.365 0.908 1.00 0.00 O ATOM 666 CB CYS A 48 -7.549 3.121 -0.499 1.00 0.00 C ATOM 667 SG CYS A 48 -7.631 4.533 -1.631 1.00 0.00 S ATOM 0 H CYS A 48 -7.825 2.071 1.802 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.608 2.904 0.385 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -7.255 2.232 -1.057 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -8.542 2.929 -0.094 1.00 0.00 H new ATOM 672 N ASN A 49 -7.654 5.485 1.044 1.00 0.00 N ATOM 673 CA ASN A 49 -7.612 6.966 1.280 1.00 0.00 C ATOM 674 C ASN A 49 -6.414 7.395 2.163 1.00 0.00 C ATOM 675 O ASN A 49 -5.745 8.353 1.827 1.00 0.00 O ATOM 676 CB ASN A 49 -8.980 7.348 1.878 1.00 0.00 C ATOM 677 CG ASN A 49 -10.007 7.295 0.739 1.00 0.00 C ATOM 678 OD1 ASN A 49 -9.776 7.735 -0.371 1.00 0.00 O ATOM 679 ND2 ASN A 49 -11.170 6.770 0.939 1.00 0.00 N ATOM 0 H ASN A 49 -8.585 5.068 1.022 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.446 7.505 0.347 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.256 6.659 2.677 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.943 8.346 2.316 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.852 6.737 0.181 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.407 6.389 1.855 1.00 0.00 H new ATOM 686 N CYS A 50 -6.146 6.707 3.244 1.00 0.00 N ATOM 687 CA CYS A 50 -4.962 7.149 4.071 1.00 0.00 C ATOM 688 C CYS A 50 -3.604 6.695 3.452 1.00 0.00 C ATOM 689 O CYS A 50 -2.715 7.513 3.329 1.00 0.00 O ATOM 690 CB CYS A 50 -5.169 6.598 5.477 1.00 0.00 C ATOM 691 SG CYS A 50 -6.592 7.358 6.301 1.00 0.00 S ATOM 0 H CYS A 50 -6.662 5.896 3.585 1.00 0.00 H new ATOM 0 HA CYS A 50 -4.905 8.237 4.096 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.314 5.519 5.426 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.271 6.772 6.070 1.00 0.00 H new ATOM 696 N LEU A 51 -3.461 5.446 3.087 1.00 0.00 N ATOM 697 CA LEU A 51 -2.203 4.887 2.461 1.00 0.00 C ATOM 698 C LEU A 51 -1.843 5.872 1.339 1.00 0.00 C ATOM 699 O LEU A 51 -0.711 6.237 1.104 1.00 0.00 O ATOM 700 CB LEU A 51 -2.605 3.445 1.991 1.00 0.00 C ATOM 701 CG LEU A 51 -1.999 2.804 0.678 1.00 0.00 C ATOM 702 CD1 LEU A 51 -2.747 1.466 0.437 1.00 0.00 C ATOM 703 CD2 LEU A 51 -2.205 3.636 -0.584 1.00 0.00 C ATOM 0 H LEU A 51 -4.198 4.750 3.200 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.323 4.792 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.370 2.767 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.689 3.441 1.874 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.926 2.709 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.358 0.989 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.597 0.806 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.812 1.662 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.759 3.122 -1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.272 3.771 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.732 4.610 -0.459 1.00 0.00 H new ATOM 715 N LYS A 52 -2.901 6.251 0.671 1.00 0.00 N ATOM 716 CA LYS A 52 -2.854 7.213 -0.460 1.00 0.00 C ATOM 717 C LYS A 52 -2.258 8.458 0.178 1.00 0.00 C ATOM 718 O LYS A 52 -1.146 8.810 -0.145 1.00 0.00 O ATOM 719 CB LYS A 52 -4.284 7.441 -0.932 1.00 0.00 C ATOM 720 CG LYS A 52 -4.393 8.563 -1.983 1.00 0.00 C ATOM 721 CD LYS A 52 -5.893 8.998 -2.055 1.00 0.00 C ATOM 722 CE LYS A 52 -6.801 7.851 -2.508 1.00 0.00 C ATOM 723 NZ LYS A 52 -8.189 8.418 -2.543 1.00 0.00 N ATOM 0 H LYS A 52 -3.840 5.912 0.879 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.277 6.893 -1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.675 6.515 -1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.910 7.690 -0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.762 9.408 -1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.049 8.211 -2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.216 9.351 -1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.995 9.836 -2.745 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.504 7.482 -3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.740 7.009 -1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.614 8.238 -3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.767 7.966 -1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.150 9.443 -2.372 1.00 0.00 H new ATOM 737 N GLY A 53 -3.018 9.087 1.050 1.00 0.00 N ATOM 738 CA GLY A 53 -2.537 10.325 1.754 1.00 0.00 C ATOM 739 C GLY A 53 -1.029 10.281 1.950 1.00 0.00 C ATOM 740 O GLY A 53 -0.327 11.140 1.461 1.00 0.00 O ATOM 0 H GLY A 53 -3.960 8.792 1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.808 11.207 1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.032 10.415 2.721 1.00 0.00 H new ATOM 744 N ILE A 54 -0.567 9.274 2.645 1.00 0.00 N ATOM 745 CA ILE A 54 0.915 9.185 2.865 1.00 0.00 C ATOM 746 C ILE A 54 1.582 9.078 1.489 1.00 0.00 C ATOM 747 O ILE A 54 2.355 9.957 1.200 1.00 0.00 O ATOM 748 CB ILE A 54 1.339 7.928 3.731 1.00 0.00 C ATOM 749 CG1 ILE A 54 0.133 7.096 4.114 1.00 0.00 C ATOM 750 CG2 ILE A 54 1.885 8.554 5.046 1.00 0.00 C ATOM 751 CD1 ILE A 54 0.528 5.751 4.747 1.00 0.00 C ATOM 0 H ILE A 54 -1.127 8.529 3.060 1.00 0.00 H new ATOM 0 HA ILE A 54 1.229 10.072 3.414 1.00 0.00 H new ATOM 0 HB ILE A 54 2.040 7.293 3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.485 7.657 4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.476 6.913 3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.208 7.761 5.720 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.731 9.202 4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.099 9.139 5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.372 5.192 5.004 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.123 5.176 4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.113 5.931 5.649 1.00 0.00 H new ATOM 763 N ALA A 55 1.288 8.075 0.685 1.00 0.00 N ATOM 764 CA ALA A 55 1.893 7.885 -0.683 1.00 0.00 C ATOM 765 C ALA A 55 2.091 9.217 -1.407 1.00 0.00 C ATOM 766 O ALA A 55 3.070 9.448 -2.088 1.00 0.00 O ATOM 767 CB ALA A 55 0.967 6.923 -1.474 1.00 0.00 C ATOM 0 H ALA A 55 0.620 7.346 0.935 1.00 0.00 H new ATOM 0 HA ALA A 55 2.889 7.452 -0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.376 6.763 -2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.902 5.969 -0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.028 7.361 -1.556 1.00 0.00 H new ATOM 773 N ARG A 56 1.115 10.050 -1.223 1.00 0.00 N ATOM 774 CA ARG A 56 1.139 11.401 -1.848 1.00 0.00 C ATOM 775 C ARG A 56 2.062 12.320 -1.037 1.00 0.00 C ATOM 776 O ARG A 56 2.922 12.988 -1.578 1.00 0.00 O ATOM 777 CB ARG A 56 -0.308 11.934 -1.864 1.00 0.00 C ATOM 778 CG ARG A 56 -1.201 10.873 -2.491 1.00 0.00 C ATOM 779 CD ARG A 56 -2.417 11.540 -3.132 1.00 0.00 C ATOM 780 NE ARG A 56 -1.958 12.199 -4.399 1.00 0.00 N ATOM 781 CZ ARG A 56 -2.299 13.386 -4.726 1.00 0.00 C ATOM 782 NH1 ARG A 56 -3.508 13.559 -5.064 1.00 0.00 N ATOM 783 NH2 ARG A 56 -1.427 14.308 -4.703 1.00 0.00 N ATOM 0 H ARG A 56 0.288 9.854 -0.659 1.00 0.00 H new ATOM 0 HA ARG A 56 1.523 11.361 -2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.641 12.160 -0.851 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.365 12.862 -2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.644 10.311 -3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.523 10.159 -1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.191 10.802 -3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.852 12.274 -2.454 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.347 11.677 -5.027 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.155 12.770 -5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.834 14.487 -5.335 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.468 14.097 -4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.685 15.260 -4.962 1.00 0.00 H new ATOM 797 N GLY A 57 1.889 12.321 0.257 1.00 0.00 N ATOM 798 CA GLY A 57 2.725 13.187 1.152 1.00 0.00 C ATOM 799 C GLY A 57 4.056 12.561 1.550 1.00 0.00 C ATOM 800 O GLY A 57 4.411 12.500 2.709 1.00 0.00 O ATOM 0 H GLY A 57 1.196 11.752 0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.917 14.135 0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.157 13.415 2.054 1.00 0.00 H new ATOM 804 N ILE A 58 4.755 12.111 0.551 1.00 0.00 N ATOM 805 CA ILE A 58 6.111 11.468 0.742 1.00 0.00 C ATOM 806 C ILE A 58 7.065 12.317 -0.094 1.00 0.00 C ATOM 807 O ILE A 58 6.599 13.064 -0.927 1.00 0.00 O ATOM 808 CB ILE A 58 6.152 10.022 0.191 1.00 0.00 C ATOM 809 CG1 ILE A 58 4.913 9.323 0.689 1.00 0.00 C ATOM 810 CG2 ILE A 58 7.373 9.279 0.674 1.00 0.00 C ATOM 811 CD1 ILE A 58 4.886 7.807 0.499 1.00 0.00 C ATOM 0 H ILE A 58 4.448 12.157 -0.421 1.00 0.00 H new ATOM 0 HA ILE A 58 6.363 11.420 1.801 1.00 0.00 H new ATOM 0 HB ILE A 58 6.194 10.046 -0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.798 9.540 1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.048 9.750 0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.368 8.268 0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.271 9.800 0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.363 9.232 1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.951 7.408 0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.963 7.572 -0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.724 7.359 1.032 1.00 0.00 H new ATOM 823 N HIS A 59 8.347 12.195 0.122 1.00 0.00 N ATOM 824 CA HIS A 59 9.362 12.994 -0.661 1.00 0.00 C ATOM 825 C HIS A 59 8.990 13.200 -2.154 1.00 0.00 C ATOM 826 O HIS A 59 8.656 14.280 -2.596 1.00 0.00 O ATOM 827 CB HIS A 59 10.688 12.239 -0.504 1.00 0.00 C ATOM 828 CG HIS A 59 11.874 13.135 -0.819 1.00 0.00 C ATOM 829 ND1 HIS A 59 12.140 14.234 -0.210 1.00 0.00 N ATOM 830 CD2 HIS A 59 12.881 13.007 -1.754 1.00 0.00 C ATOM 831 CE1 HIS A 59 13.215 14.760 -0.707 1.00 0.00 C ATOM 832 NE2 HIS A 59 13.710 14.027 -1.673 1.00 0.00 N ATOM 0 H HIS A 59 8.750 11.567 0.818 1.00 0.00 H new ATOM 0 HA HIS A 59 9.416 14.010 -0.271 1.00 0.00 H new ATOM 0 HB2 HIS A 59 10.775 11.861 0.515 1.00 0.00 H new ATOM 0 HB3 HIS A 59 10.697 11.374 -1.167 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.976 12.188 -2.452 1.00 0.00 H new ATOM 0 HE1 HIS A 59 13.649 15.688 -0.367 1.00 0.00 H new ATOM 0 HE2 HIS A 59 14.544 14.205 -2.233 1.00 0.00 H new ATOM 840 N ASN A 60 9.080 12.119 -2.871 1.00 0.00 N ATOM 841 CA ASN A 60 8.768 12.066 -4.328 1.00 0.00 C ATOM 842 C ASN A 60 8.514 10.582 -4.639 1.00 0.00 C ATOM 843 O ASN A 60 9.206 10.022 -5.465 1.00 0.00 O ATOM 844 CB ASN A 60 9.983 12.639 -5.144 1.00 0.00 C ATOM 845 CG ASN A 60 9.696 12.711 -6.661 1.00 0.00 C ATOM 846 OD1 ASN A 60 10.185 13.582 -7.343 1.00 0.00 O ATOM 847 ND2 ASN A 60 8.933 11.863 -7.295 1.00 0.00 N ATOM 0 H ASN A 60 9.373 11.221 -2.486 1.00 0.00 H new ATOM 0 HA ASN A 60 7.900 12.667 -4.600 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.226 13.636 -4.776 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.859 12.013 -4.973 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.784 11.963 -8.299 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.485 11.101 -6.786 1.00 0.00 H new ATOM 854 N LEU A 61 7.554 10.013 -3.942 1.00 0.00 N ATOM 855 CA LEU A 61 7.165 8.562 -4.123 1.00 0.00 C ATOM 856 C LEU A 61 7.673 8.028 -5.484 1.00 0.00 C ATOM 857 O LEU A 61 7.299 8.534 -6.527 1.00 0.00 O ATOM 858 CB LEU A 61 5.603 8.535 -3.963 1.00 0.00 C ATOM 859 CG LEU A 61 4.839 7.266 -4.460 1.00 0.00 C ATOM 860 CD1 LEU A 61 4.509 7.453 -5.937 1.00 0.00 C ATOM 861 CD2 LEU A 61 5.595 5.943 -4.285 1.00 0.00 C ATOM 0 H LEU A 61 7.006 10.503 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 61 7.621 7.897 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.373 8.672 -2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.198 9.398 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 61 3.949 7.182 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.975 6.577 -6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.884 8.337 -6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.432 7.579 -6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.983 5.122 -4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.530 5.982 -4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.809 5.783 -3.228 1.00 0.00 H new ATOM 873 N ASN A 62 8.509 7.038 -5.476 1.00 0.00 N ATOM 874 CA ASN A 62 9.010 6.514 -6.762 1.00 0.00 C ATOM 875 C ASN A 62 8.217 5.262 -7.122 1.00 0.00 C ATOM 876 O ASN A 62 8.646 4.174 -6.795 1.00 0.00 O ATOM 877 CB ASN A 62 10.492 6.261 -6.539 1.00 0.00 C ATOM 878 CG ASN A 62 11.121 5.817 -7.833 1.00 0.00 C ATOM 879 OD1 ASN A 62 12.033 6.425 -8.335 1.00 0.00 O ATOM 880 ND2 ASN A 62 10.694 4.770 -8.449 1.00 0.00 N ATOM 0 H ASN A 62 8.864 6.573 -4.641 1.00 0.00 H new ATOM 0 HA ASN A 62 8.885 7.195 -7.604 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.977 7.168 -6.178 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.631 5.498 -5.773 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.126 4.484 -9.328 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.924 4.227 -8.058 1.00 0.00 H new ATOM 887 N LEU A 63 7.095 5.476 -7.766 1.00 0.00 N ATOM 888 CA LEU A 63 6.148 4.400 -8.225 1.00 0.00 C ATOM 889 C LEU A 63 6.718 2.976 -8.268 1.00 0.00 C ATOM 890 O LEU A 63 6.209 2.061 -7.647 1.00 0.00 O ATOM 891 CB LEU A 63 5.639 4.857 -9.620 1.00 0.00 C ATOM 892 CG LEU A 63 4.548 3.921 -10.207 1.00 0.00 C ATOM 893 CD1 LEU A 63 3.831 4.679 -11.324 1.00 0.00 C ATOM 894 CD2 LEU A 63 5.153 2.671 -10.888 1.00 0.00 C ATOM 0 H LEU A 63 6.776 6.414 -8.008 1.00 0.00 H new ATOM 0 HA LEU A 63 5.350 4.304 -7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.238 5.867 -9.541 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.481 4.902 -10.311 1.00 0.00 H new ATOM 0 HG LEU A 63 3.900 3.620 -9.384 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.057 4.044 -11.756 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.375 5.581 -10.917 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.549 4.953 -12.097 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.351 2.048 -11.283 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.806 2.981 -11.704 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.729 2.102 -10.158 1.00 0.00 H new ATOM 906 N ASN A 64 7.771 2.855 -9.037 1.00 0.00 N ATOM 907 CA ASN A 64 8.483 1.543 -9.209 1.00 0.00 C ATOM 908 C ASN A 64 8.525 0.813 -7.847 1.00 0.00 C ATOM 909 O ASN A 64 8.069 -0.300 -7.674 1.00 0.00 O ATOM 910 CB ASN A 64 9.891 1.880 -9.747 1.00 0.00 C ATOM 911 CG ASN A 64 10.785 0.663 -9.912 1.00 0.00 C ATOM 912 OD1 ASN A 64 10.696 -0.088 -10.856 1.00 0.00 O ATOM 913 ND2 ASN A 64 11.668 0.441 -8.994 1.00 0.00 N ATOM 0 H ASN A 64 8.179 3.626 -9.566 1.00 0.00 H new ATOM 0 HA ASN A 64 7.981 0.874 -9.908 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.793 2.382 -10.710 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.372 2.584 -9.068 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.288 -0.366 -9.067 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.745 1.073 -8.197 1.00 0.00 H new ATOM 920 N ASN A 65 9.075 1.516 -6.902 1.00 0.00 N ATOM 921 CA ASN A 65 9.217 0.993 -5.520 1.00 0.00 C ATOM 922 C ASN A 65 7.872 0.447 -5.006 1.00 0.00 C ATOM 923 O ASN A 65 7.737 -0.704 -4.620 1.00 0.00 O ATOM 924 CB ASN A 65 9.712 2.147 -4.658 1.00 0.00 C ATOM 925 CG ASN A 65 10.956 2.786 -5.250 1.00 0.00 C ATOM 926 OD1 ASN A 65 11.486 2.360 -6.251 1.00 0.00 O ATOM 927 ND2 ASN A 65 11.480 3.817 -4.689 1.00 0.00 N ATOM 0 H ASN A 65 9.442 2.458 -7.035 1.00 0.00 H new ATOM 0 HA ASN A 65 9.924 0.164 -5.486 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.926 2.896 -4.564 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.930 1.785 -3.653 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.314 4.247 -5.089 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.062 4.205 -3.844 1.00 0.00 H new ATOM 934 N ALA A 66 6.920 1.332 -5.030 1.00 0.00 N ATOM 935 CA ALA A 66 5.553 0.989 -4.572 1.00 0.00 C ATOM 936 C ALA A 66 5.052 -0.298 -5.246 1.00 0.00 C ATOM 937 O ALA A 66 4.669 -1.218 -4.554 1.00 0.00 O ATOM 938 CB ALA A 66 4.708 2.221 -4.884 1.00 0.00 C ATOM 0 H ALA A 66 7.035 2.293 -5.353 1.00 0.00 H new ATOM 0 HA ALA A 66 5.505 0.764 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.678 2.044 -4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.107 3.081 -4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.734 2.418 -5.956 1.00 0.00 H new ATOM 944 N ALA A 67 5.082 -0.329 -6.555 1.00 0.00 N ATOM 945 CA ALA A 67 4.620 -1.536 -7.353 1.00 0.00 C ATOM 946 C ALA A 67 5.412 -2.791 -6.964 1.00 0.00 C ATOM 947 O ALA A 67 4.911 -3.895 -6.820 1.00 0.00 O ATOM 948 CB ALA A 67 4.832 -1.278 -8.844 1.00 0.00 C ATOM 0 H ALA A 67 5.414 0.446 -7.129 1.00 0.00 H new ATOM 0 HA ALA A 67 3.564 -1.696 -7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.500 -2.146 -9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.257 -0.403 -9.147 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.890 -1.101 -9.036 1.00 0.00 H new ATOM 954 N SER A 68 6.690 -2.581 -6.803 1.00 0.00 N ATOM 955 CA SER A 68 7.596 -3.683 -6.425 1.00 0.00 C ATOM 956 C SER A 68 6.947 -4.288 -5.220 1.00 0.00 C ATOM 957 O SER A 68 6.823 -5.488 -5.177 1.00 0.00 O ATOM 958 CB SER A 68 8.998 -3.101 -6.126 1.00 0.00 C ATOM 959 OG SER A 68 9.410 -3.563 -4.837 1.00 0.00 O ATOM 0 H SER A 68 7.144 -1.675 -6.921 1.00 0.00 H new ATOM 0 HA SER A 68 7.744 -4.434 -7.201 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.711 -3.416 -6.888 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.969 -2.012 -6.148 1.00 0.00 H new ATOM 0 HG SER A 68 10.017 -2.908 -4.433 1.00 0.00 H new ATOM 965 N ILE A 69 6.532 -3.489 -4.277 1.00 0.00 N ATOM 966 CA ILE A 69 5.899 -4.148 -3.111 1.00 0.00 C ATOM 967 C ILE A 69 4.802 -5.247 -3.429 1.00 0.00 C ATOM 968 O ILE A 69 5.047 -6.397 -3.076 1.00 0.00 O ATOM 969 CB ILE A 69 5.344 -3.027 -2.177 1.00 0.00 C ATOM 970 CG1 ILE A 69 6.419 -1.966 -1.792 1.00 0.00 C ATOM 971 CG2 ILE A 69 4.896 -3.646 -0.858 1.00 0.00 C ATOM 972 CD1 ILE A 69 7.701 -2.634 -1.178 1.00 0.00 C ATOM 0 H ILE A 69 6.598 -2.471 -4.260 1.00 0.00 H new ATOM 0 HA ILE A 69 6.676 -4.736 -2.623 1.00 0.00 H new ATOM 0 HB ILE A 69 4.535 -2.550 -2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.696 -1.391 -2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.996 -1.263 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.508 -2.866 -0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.115 -4.382 -1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.745 -4.133 -0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.427 -1.862 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.428 -3.187 -0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.139 -3.317 -1.905 1.00 0.00 H new ATOM 984 N PRO A 70 3.661 -4.995 -4.059 1.00 0.00 N ATOM 985 CA PRO A 70 2.746 -6.109 -4.435 1.00 0.00 C ATOM 986 C PRO A 70 3.430 -7.171 -5.308 1.00 0.00 C ATOM 987 O PRO A 70 3.020 -8.315 -5.215 1.00 0.00 O ATOM 988 CB PRO A 70 1.549 -5.430 -5.132 1.00 0.00 C ATOM 989 CG PRO A 70 2.173 -4.152 -5.679 1.00 0.00 C ATOM 990 CD PRO A 70 3.098 -3.708 -4.518 1.00 0.00 C ATOM 0 HA PRO A 70 2.423 -6.674 -3.561 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.134 -6.052 -5.925 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.738 -5.220 -4.435 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.732 -4.334 -6.597 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.420 -3.398 -5.909 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.874 -3.021 -4.856 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.545 -3.200 -3.728 1.00 0.00 H new ATOM 998 N SER A 71 4.418 -6.836 -6.118 1.00 0.00 N ATOM 999 CA SER A 71 5.040 -7.942 -6.943 1.00 0.00 C ATOM 1000 C SER A 71 5.888 -8.811 -6.013 1.00 0.00 C ATOM 1001 O SER A 71 5.873 -10.015 -6.110 1.00 0.00 O ATOM 1002 CB SER A 71 5.935 -7.378 -8.047 1.00 0.00 C ATOM 1003 OG SER A 71 6.227 -8.536 -8.839 1.00 0.00 O ATOM 0 H SER A 71 4.805 -5.901 -6.243 1.00 0.00 H new ATOM 0 HA SER A 71 4.245 -8.521 -7.413 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.426 -6.609 -8.627 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.840 -6.925 -7.643 1.00 0.00 H new ATOM 0 HG SER A 71 6.804 -8.282 -9.589 1.00 0.00 H new ATOM 1009 N LYS A 72 6.623 -8.198 -5.130 1.00 0.00 N ATOM 1010 CA LYS A 72 7.476 -8.941 -4.153 1.00 0.00 C ATOM 1011 C LYS A 72 6.559 -9.978 -3.527 1.00 0.00 C ATOM 1012 O LYS A 72 6.905 -11.142 -3.496 1.00 0.00 O ATOM 1013 CB LYS A 72 7.972 -7.944 -3.148 1.00 0.00 C ATOM 1014 CG LYS A 72 9.094 -7.154 -3.801 1.00 0.00 C ATOM 1015 CD LYS A 72 9.263 -5.819 -3.088 1.00 0.00 C ATOM 1016 CE LYS A 72 9.221 -5.907 -1.562 1.00 0.00 C ATOM 1017 NZ LYS A 72 10.178 -6.940 -1.052 1.00 0.00 N ATOM 0 H LYS A 72 6.671 -7.183 -5.040 1.00 0.00 H new ATOM 0 HA LYS A 72 8.343 -9.433 -4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.166 -7.279 -2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.331 -8.450 -2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.024 -7.721 -3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.870 -6.989 -4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.214 -5.379 -3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.478 -5.141 -3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.467 -4.936 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.210 -6.152 -1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.646 -7.750 -0.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.790 -7.260 -1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.764 -6.528 -0.298 1.00 0.00 H new ATOM 1031 N CYS A 73 5.422 -9.532 -3.043 1.00 0.00 N ATOM 1032 CA CYS A 73 4.496 -10.571 -2.438 1.00 0.00 C ATOM 1033 C CYS A 73 3.421 -11.001 -3.460 1.00 0.00 C ATOM 1034 O CYS A 73 2.372 -11.471 -3.068 1.00 0.00 O ATOM 1035 CB CYS A 73 3.777 -10.012 -1.173 1.00 0.00 C ATOM 1036 SG CYS A 73 4.590 -10.285 0.419 1.00 0.00 S ATOM 0 H CYS A 73 5.101 -8.564 -3.033 1.00 0.00 H new ATOM 0 HA CYS A 73 5.109 -11.428 -2.159 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.643 -8.938 -1.306 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.782 -10.454 -1.126 1.00 0.00 H new ATOM 1041 N ASN A 74 3.714 -10.849 -4.729 1.00 0.00 N ATOM 1042 CA ASN A 74 2.788 -11.204 -5.867 1.00 0.00 C ATOM 1043 C ASN A 74 1.325 -11.303 -5.414 1.00 0.00 C ATOM 1044 O ASN A 74 0.618 -12.276 -5.593 1.00 0.00 O ATOM 1045 CB ASN A 74 3.307 -12.534 -6.466 1.00 0.00 C ATOM 1046 CG ASN A 74 4.598 -12.237 -7.216 1.00 0.00 C ATOM 1047 OD1 ASN A 74 4.633 -11.433 -8.123 1.00 0.00 O ATOM 1048 ND2 ASN A 74 5.693 -12.843 -6.899 1.00 0.00 N ATOM 0 H ASN A 74 4.608 -10.472 -5.044 1.00 0.00 H new ATOM 0 HA ASN A 74 2.793 -10.418 -6.623 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.484 -13.265 -5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.565 -12.965 -7.139 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.554 -12.640 -7.407 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.697 -13.525 -6.141 1.00 0.00 H new ATOM 1055 N VAL A 75 0.928 -10.207 -4.834 1.00 0.00 N ATOM 1056 CA VAL A 75 -0.458 -10.077 -4.298 1.00 0.00 C ATOM 1057 C VAL A 75 -1.417 -9.718 -5.435 1.00 0.00 C ATOM 1058 O VAL A 75 -2.257 -8.862 -5.277 1.00 0.00 O ATOM 1059 CB VAL A 75 -0.499 -8.956 -3.201 1.00 0.00 C ATOM 1060 CG1 VAL A 75 -1.708 -9.187 -2.267 1.00 0.00 C ATOM 1061 CG2 VAL A 75 0.787 -8.886 -2.380 1.00 0.00 C ATOM 0 H VAL A 75 1.513 -9.381 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.762 -11.025 -3.854 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.599 -8.001 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.734 -8.407 -1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.629 -9.157 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.615 -10.161 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.702 -8.093 -1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.950 -9.839 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.629 -8.676 -3.040 1.00 0.00 H new ATOM 1071 N ASN A 76 -1.282 -10.399 -6.545 1.00 0.00 N ATOM 1072 CA ASN A 76 -2.138 -10.183 -7.773 1.00 0.00 C ATOM 1073 C ASN A 76 -3.108 -8.968 -7.698 1.00 0.00 C ATOM 1074 O ASN A 76 -4.307 -9.152 -7.652 1.00 0.00 O ATOM 1075 CB ASN A 76 -2.871 -11.526 -7.954 1.00 0.00 C ATOM 1076 CG ASN A 76 -3.603 -11.951 -6.668 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -3.930 -13.104 -6.501 1.00 0.00 O ATOM 1078 ND2 ASN A 76 -3.908 -11.122 -5.718 1.00 0.00 N ATOM 0 H ASN A 76 -0.582 -11.132 -6.663 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.522 -9.913 -8.631 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.588 -11.442 -8.771 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.154 -12.297 -8.237 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.397 -11.456 -4.888 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.658 -10.137 -5.801 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.568 -7.772 -7.678 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.460 -6.558 -7.591 1.00 0.00 C ATOM 1087 C VAL A 77 -3.160 -5.336 -8.535 1.00 0.00 C ATOM 1088 O VAL A 77 -2.023 -5.114 -8.901 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.405 -6.172 -6.089 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -2.041 -5.566 -5.696 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -4.539 -5.295 -5.689 1.00 0.00 C ATOM 0 H VAL A 77 -1.567 -7.579 -7.717 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.448 -6.825 -7.966 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.514 -7.099 -5.527 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.048 -5.311 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.251 -6.292 -5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.859 -4.667 -6.285 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.456 -5.053 -4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.512 -4.376 -6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.481 -5.813 -5.870 1.00 0.00 H new ATOM 1101 N PRO A 78 -4.172 -4.570 -8.902 1.00 0.00 N ATOM 1102 CA PRO A 78 -3.993 -3.177 -9.439 1.00 0.00 C ATOM 1103 C PRO A 78 -3.276 -2.167 -8.517 1.00 0.00 C ATOM 1104 O PRO A 78 -2.419 -1.429 -8.958 1.00 0.00 O ATOM 1105 CB PRO A 78 -5.418 -2.734 -9.791 1.00 0.00 C ATOM 1106 CG PRO A 78 -6.146 -4.073 -10.031 1.00 0.00 C ATOM 1107 CD PRO A 78 -5.617 -4.952 -8.888 1.00 0.00 C ATOM 0 HA PRO A 78 -3.309 -3.196 -10.288 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -5.876 -2.165 -8.982 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -5.437 -2.100 -10.677 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.229 -3.959 -9.987 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.909 -4.493 -11.008 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.097 -4.727 -7.935 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -5.767 -6.015 -9.078 1.00 0.00 H new ATOM 1115 N TYR A 79 -3.653 -2.164 -7.263 1.00 0.00 N ATOM 1116 CA TYR A 79 -3.016 -1.215 -6.292 1.00 0.00 C ATOM 1117 C TYR A 79 -1.745 -1.614 -5.510 1.00 0.00 C ATOM 1118 O TYR A 79 -1.352 -2.750 -5.323 1.00 0.00 O ATOM 1119 CB TYR A 79 -4.072 -0.815 -5.280 1.00 0.00 C ATOM 1120 CG TYR A 79 -4.646 -1.960 -4.428 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -3.927 -2.473 -3.362 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -5.908 -2.473 -4.688 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -4.464 -3.475 -2.580 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -6.437 -3.474 -3.892 1.00 0.00 C ATOM 1125 CZ TYR A 79 -5.714 -3.968 -2.847 1.00 0.00 C ATOM 1126 OH TYR A 79 -6.260 -4.956 -2.068 1.00 0.00 O ATOM 0 H TYR A 79 -4.370 -2.773 -6.869 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.643 -0.430 -6.950 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.644 -0.068 -4.611 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.894 -0.334 -5.810 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.942 -2.088 -3.142 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.482 -2.088 -5.518 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.895 -3.873 -1.752 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.423 -3.864 -4.099 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.611 -5.669 -2.642 1.00 0.00 H new ATOM 1136 N THR A 80 -1.116 -0.565 -5.066 1.00 0.00 N ATOM 1137 CA THR A 80 0.149 -0.688 -4.262 1.00 0.00 C ATOM 1138 C THR A 80 0.137 0.518 -3.302 1.00 0.00 C ATOM 1139 O THR A 80 -0.909 1.094 -3.052 1.00 0.00 O ATOM 1140 CB THR A 80 1.404 -0.658 -5.248 1.00 0.00 C ATOM 1141 OG1 THR A 80 2.024 0.611 -5.198 1.00 0.00 O ATOM 1142 CG2 THR A 80 1.042 -0.656 -6.716 1.00 0.00 C ATOM 0 H THR A 80 -1.424 0.394 -5.225 1.00 0.00 H new ATOM 0 HA THR A 80 0.215 -1.621 -3.702 1.00 0.00 H new ATOM 0 HB THR A 80 1.983 -1.527 -4.934 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.398 1.294 -5.517 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.952 -0.635 -7.315 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.473 -1.555 -6.952 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.439 0.224 -6.941 1.00 0.00 H new ATOM 1150 N ILE A 81 1.283 0.868 -2.796 1.00 0.00 N ATOM 1151 CA ILE A 81 1.417 2.032 -1.866 1.00 0.00 C ATOM 1152 C ILE A 81 1.520 3.198 -2.907 1.00 0.00 C ATOM 1153 O ILE A 81 2.532 3.808 -3.209 1.00 0.00 O ATOM 1154 CB ILE A 81 2.698 1.794 -1.004 1.00 0.00 C ATOM 1155 CG1 ILE A 81 3.085 3.050 -0.232 1.00 0.00 C ATOM 1156 CG2 ILE A 81 3.911 1.357 -1.814 1.00 0.00 C ATOM 1157 CD1 ILE A 81 2.029 3.367 0.835 1.00 0.00 C ATOM 0 H ILE A 81 2.160 0.385 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 81 0.627 2.217 -1.138 1.00 0.00 H new ATOM 0 HB ILE A 81 2.427 0.984 -0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.058 2.910 0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.182 3.891 -0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.761 1.212 -1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.688 0.421 -2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.154 2.125 -2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.319 4.266 1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.064 3.528 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.953 2.532 1.531 1.00 0.00 H new ATOM 1169 N SER A 82 0.341 3.422 -3.417 1.00 0.00 N ATOM 1170 CA SER A 82 0.038 4.454 -4.465 1.00 0.00 C ATOM 1171 C SER A 82 -0.820 5.630 -3.943 1.00 0.00 C ATOM 1172 O SER A 82 -1.552 5.432 -2.999 1.00 0.00 O ATOM 1173 CB SER A 82 -0.680 3.683 -5.558 1.00 0.00 C ATOM 1174 OG SER A 82 0.289 2.753 -6.062 1.00 0.00 O ATOM 0 H SER A 82 -0.484 2.895 -3.131 1.00 0.00 H new ATOM 0 HA SER A 82 0.952 4.935 -4.814 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.555 3.165 -5.165 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.031 4.351 -6.345 1.00 0.00 H new ATOM 0 HG SER A 82 -0.056 2.330 -6.876 1.00 0.00 H new ATOM 1180 N PRO A 83 -0.728 6.806 -4.536 1.00 0.00 N ATOM 1181 CA PRO A 83 -1.867 7.512 -5.221 1.00 0.00 C ATOM 1182 C PRO A 83 -2.740 6.786 -6.300 1.00 0.00 C ATOM 1183 O PRO A 83 -3.951 6.757 -6.192 1.00 0.00 O ATOM 1184 CB PRO A 83 -1.185 8.791 -5.770 1.00 0.00 C ATOM 1185 CG PRO A 83 0.317 8.397 -5.877 1.00 0.00 C ATOM 1186 CD PRO A 83 0.536 7.598 -4.592 1.00 0.00 C ATOM 0 HA PRO A 83 -2.663 7.646 -4.489 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.593 9.077 -6.739 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.329 9.639 -5.101 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.519 7.800 -6.766 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.965 9.272 -5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.420 6.962 -4.646 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.659 8.242 -3.721 1.00 0.00 H new ATOM 1194 N ASP A 84 -2.130 6.210 -7.305 1.00 0.00 N ATOM 1195 CA ASP A 84 -2.882 5.495 -8.400 1.00 0.00 C ATOM 1196 C ASP A 84 -3.338 4.054 -7.976 1.00 0.00 C ATOM 1197 O ASP A 84 -2.861 3.014 -8.382 1.00 0.00 O ATOM 1198 CB ASP A 84 -1.903 5.535 -9.625 1.00 0.00 C ATOM 1199 CG ASP A 84 -2.591 4.978 -10.876 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -3.333 5.742 -11.475 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -2.325 3.819 -11.143 1.00 0.00 O ATOM 0 H ASP A 84 -1.117 6.202 -7.421 1.00 0.00 H new ATOM 0 HA ASP A 84 -3.831 5.972 -8.645 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.579 6.560 -9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.009 4.952 -9.404 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.290 4.098 -7.083 1.00 0.00 N ATOM 1207 CA ILE A 85 -4.976 2.902 -6.450 1.00 0.00 C ATOM 1208 C ILE A 85 -6.354 2.630 -7.152 1.00 0.00 C ATOM 1209 O ILE A 85 -6.803 3.454 -7.920 1.00 0.00 O ATOM 1210 CB ILE A 85 -5.221 3.232 -4.966 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -4.004 3.848 -4.280 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -5.570 1.956 -4.148 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -4.518 4.762 -3.148 1.00 0.00 C ATOM 0 H ILE A 85 -4.655 4.984 -6.733 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.351 2.015 -6.556 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.046 3.944 -4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.356 3.069 -3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.411 4.420 -4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.736 2.226 -3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.473 1.500 -4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.745 1.246 -4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.671 5.219 -2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.151 5.543 -3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.095 4.171 -2.437 1.00 0.00 H new ATOM 1225 N ASP A 86 -7.012 1.522 -6.890 1.00 0.00 N ATOM 1226 CA ASP A 86 -8.351 1.222 -7.537 1.00 0.00 C ATOM 1227 C ASP A 86 -9.464 1.155 -6.420 1.00 0.00 C ATOM 1228 O ASP A 86 -10.557 0.633 -6.594 1.00 0.00 O ATOM 1229 CB ASP A 86 -8.116 -0.120 -8.323 1.00 0.00 C ATOM 1230 CG ASP A 86 -9.291 -0.548 -9.217 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -9.584 0.107 -10.206 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -9.882 -1.562 -8.889 1.00 0.00 O ATOM 0 H ASP A 86 -6.681 0.800 -6.250 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.708 1.984 -8.230 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.225 -0.013 -8.942 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.912 -0.916 -7.606 1.00 0.00 H new ATOM 1237 N CYS A 87 -9.073 1.734 -5.305 1.00 0.00 N ATOM 1238 CA CYS A 87 -9.854 1.866 -4.031 1.00 0.00 C ATOM 1239 C CYS A 87 -11.365 1.657 -4.120 1.00 0.00 C ATOM 1240 O CYS A 87 -11.951 0.845 -3.432 1.00 0.00 O ATOM 1241 CB CYS A 87 -9.551 3.252 -3.498 1.00 0.00 C ATOM 1242 SG CYS A 87 -7.811 3.709 -3.456 1.00 0.00 S ATOM 0 H CYS A 87 -8.150 2.160 -5.229 1.00 0.00 H new ATOM 0 HA CYS A 87 -9.538 1.054 -3.376 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -10.084 3.981 -4.109 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -9.952 3.328 -2.487 1.00 0.00 H new ATOM 1247 N SER A 88 -11.889 2.459 -4.997 1.00 0.00 N ATOM 1248 CA SER A 88 -13.340 2.513 -5.321 1.00 0.00 C ATOM 1249 C SER A 88 -14.095 1.264 -5.750 1.00 0.00 C ATOM 1250 O SER A 88 -15.146 0.979 -5.211 1.00 0.00 O ATOM 1251 CB SER A 88 -13.553 3.527 -6.420 1.00 0.00 C ATOM 1252 OG SER A 88 -13.595 4.768 -5.734 1.00 0.00 O ATOM 0 H SER A 88 -11.333 3.122 -5.537 1.00 0.00 H new ATOM 0 HA SER A 88 -13.758 2.743 -4.341 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.744 3.501 -7.150 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.479 3.339 -6.963 1.00 0.00 H new ATOM 0 HG SER A 88 -13.158 4.675 -4.862 1.00 0.00 H new ATOM 1258 N ARG A 89 -13.541 0.568 -6.704 1.00 0.00 N ATOM 1259 CA ARG A 89 -14.213 -0.666 -7.214 1.00 0.00 C ATOM 1260 C ARG A 89 -13.481 -1.964 -6.894 1.00 0.00 C ATOM 1261 O ARG A 89 -14.120 -2.984 -6.756 1.00 0.00 O ATOM 1262 CB ARG A 89 -14.382 -0.515 -8.755 1.00 0.00 C ATOM 1263 CG ARG A 89 -12.991 -0.567 -9.453 1.00 0.00 C ATOM 1264 CD ARG A 89 -13.147 -0.811 -10.955 1.00 0.00 C ATOM 1265 NE ARG A 89 -11.786 -1.292 -11.365 1.00 0.00 N ATOM 1266 CZ ARG A 89 -11.580 -2.509 -11.701 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -12.258 -3.102 -12.593 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -10.656 -3.088 -11.070 1.00 0.00 N ATOM 0 H ARG A 89 -12.654 0.797 -7.153 1.00 0.00 H new ATOM 0 HA ARG A 89 -15.172 -0.749 -6.702 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -15.020 -1.311 -9.139 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -14.877 0.429 -8.984 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -12.459 0.370 -9.285 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -12.387 -1.360 -9.012 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.917 -1.553 -11.165 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -13.429 0.099 -11.484 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.007 -0.633 -11.376 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.006 -2.607 -13.078 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.055 -4.074 -12.826 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.136 -2.585 -10.351 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -10.428 -4.060 -11.278 1.00 0.00 H new