USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1024 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 88 THR OG1 : rot 130:sc= -1.86 USER MOD Set 1.2: A 90 GLN : amide:sc= -1.45 K(o=-3.3,f=-5.3!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 81 LYS NZ :NH3+ 136:sc= -1.2 (180deg=-3.18!) USER MOD Set 3.1: A 60 ASN : amide:sc= -2.09! C(o=-4.4!,f=-5.3!) USER MOD Set 3.2: A 61 MET CE :methyl -164:sc= -2.3 (180deg=-3.31) USER MOD Set 4.1: A 47 MET CE :methyl 149:sc= -9.62! (180deg=-5.05!) USER MOD Set 4.2: A 52 HIS : no HE2:sc= -19.1! C(o=-29!,f=-41!) USER MOD Set 4.3: A 79 THR OG1 : rot 82:sc= 0.0115! USER MOD Set 5.1: A 8 LYS NZ :NH3+ -101:sc= 0 (180deg=0) USER MOD Set 5.2: A 33 GLN : amide:sc= -0.504 K(o=-0.5,f=-1.5) USER MOD Single : A 1 MET CE :methyl 136:sc= -0.325 (180deg=-1.59!) USER MOD Single : A 1 MET N :NH3+ -163:sc= 0 (180deg=-0.274) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -144:sc= 0.662 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 28 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.00049) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.7) USER MOD Single : A 44 MET CE :methyl 180:sc=-0.00125 (180deg=-0.00125) USER MOD Single : A 45 LYS NZ :NH3+ -150:sc= -0.0958 (180deg=-0.41) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 50 ASN : amide:sc= -4.81! C(o=-4.8!,f=-8.7!) USER MOD Single : A 53 HIS : no HD1:sc= -3.59 K(o=-3.6,f=-6.1!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.76 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 159:sc= -12.3! (180deg=-15.6!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.5) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -2.35! C(o=-2.4!,f=-3.3!) USER MOD Single : A 106 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.1!) USER MOD Single : A 110 LYS NZ :NH3+ -173:sc= -0.331 (180deg=-0.391) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.00243 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 147:sc= -3.39! (180deg=-5.97!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.969 16.942 7.564 1.00 0.00 N ATOM 2 CA MET A 1 13.710 16.724 6.151 1.00 0.00 C ATOM 3 C MET A 1 12.699 17.740 5.616 1.00 0.00 C ATOM 4 O MET A 1 12.884 18.946 5.771 1.00 0.00 O ATOM 5 CB MET A 1 13.170 15.308 5.943 1.00 0.00 C ATOM 6 CG MET A 1 14.136 14.264 6.505 1.00 0.00 C ATOM 7 SD MET A 1 13.731 12.648 5.864 1.00 0.00 S ATOM 8 CE MET A 1 14.084 12.904 4.133 1.00 0.00 C ATOM 0 H1 MET A 1 14.845 16.451 7.836 1.00 0.00 H new ATOM 0 H2 MET A 1 14.072 17.961 7.745 1.00 0.00 H new ATOM 0 H3 MET A 1 13.176 16.570 8.124 1.00 0.00 H new ATOM 0 HA MET A 1 14.646 16.849 5.606 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.200 15.210 6.430 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.013 15.128 4.880 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.160 14.524 6.238 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.083 14.256 7.594 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.633 12.047 3.743 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.149 13.016 3.584 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.685 13.805 4.014 1.00 0.00 H new ATOM 18 N SER A 2 11.652 17.215 4.997 1.00 0.00 N ATOM 19 CA SER A 2 10.611 18.062 4.438 1.00 0.00 C ATOM 20 C SER A 2 9.269 17.750 5.103 1.00 0.00 C ATOM 21 O SER A 2 8.327 18.534 5.005 1.00 0.00 O ATOM 22 CB SER A 2 10.507 17.878 2.922 1.00 0.00 C ATOM 23 OG SER A 2 10.516 19.125 2.232 1.00 0.00 O ATOM 0 H SER A 2 11.502 16.214 4.870 1.00 0.00 H new ATOM 0 HA SER A 2 10.874 19.102 4.634 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.338 17.264 2.573 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.590 17.338 2.684 1.00 0.00 H new ATOM 0 HG SER A 2 10.450 18.966 1.267 1.00 0.00 H new ATOM 29 N LEU A 3 9.226 16.604 5.767 1.00 0.00 N ATOM 30 CA LEU A 3 8.016 16.179 6.449 1.00 0.00 C ATOM 31 C LEU A 3 8.392 15.446 7.737 1.00 0.00 C ATOM 32 O LEU A 3 8.853 14.306 7.696 1.00 0.00 O ATOM 33 CB LEU A 3 7.131 15.357 5.509 1.00 0.00 C ATOM 34 CG LEU A 3 5.692 15.848 5.343 1.00 0.00 C ATOM 35 CD1 LEU A 3 5.143 16.395 6.662 1.00 0.00 C ATOM 36 CD2 LEU A 3 5.590 16.873 4.210 1.00 0.00 C ATOM 0 H LEU A 3 10.010 15.957 5.847 1.00 0.00 H new ATOM 0 HA LEU A 3 7.418 17.044 6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.602 15.334 4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.104 14.330 5.873 1.00 0.00 H new ATOM 0 HG LEU A 3 5.071 14.997 5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.119 16.737 6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.159 15.609 7.417 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.760 17.229 6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.557 17.206 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.227 17.728 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.913 16.415 3.275 1.00 0.00 H new ATOM 48 N ALA A 4 8.183 16.130 8.854 1.00 0.00 N ATOM 49 CA ALA A 4 8.495 15.558 10.152 1.00 0.00 C ATOM 50 C ALA A 4 7.770 14.218 10.301 1.00 0.00 C ATOM 51 O ALA A 4 8.295 13.289 10.913 1.00 0.00 O ATOM 52 CB ALA A 4 8.116 16.551 11.252 1.00 0.00 C ATOM 0 H ALA A 4 7.801 17.075 8.886 1.00 0.00 H new ATOM 0 HA ALA A 4 9.564 15.366 10.240 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.350 16.122 12.226 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.679 17.475 11.118 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.049 16.765 11.197 1.00 0.00 H new ATOM 58 N GLU A 5 6.575 14.162 9.732 1.00 0.00 N ATOM 59 CA GLU A 5 5.773 12.951 9.795 1.00 0.00 C ATOM 60 C GLU A 5 6.037 12.076 8.569 1.00 0.00 C ATOM 61 O GLU A 5 6.173 10.859 8.689 1.00 0.00 O ATOM 62 CB GLU A 5 4.285 13.287 9.919 1.00 0.00 C ATOM 63 CG GLU A 5 3.839 13.269 11.383 1.00 0.00 C ATOM 64 CD GLU A 5 2.464 13.920 11.545 1.00 0.00 C ATOM 65 OE1 GLU A 5 2.417 15.168 11.490 1.00 0.00 O ATOM 66 OE2 GLU A 5 1.492 13.155 11.719 1.00 0.00 O ATOM 0 H GLU A 5 6.143 14.935 9.226 1.00 0.00 H new ATOM 0 HA GLU A 5 6.062 12.392 10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.093 14.270 9.489 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.697 12.569 9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.803 12.241 11.743 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.570 13.797 11.996 1.00 0.00 H new ATOM 73 N LYS A 6 6.103 12.728 7.418 1.00 0.00 N ATOM 74 CA LYS A 6 6.349 12.024 6.171 1.00 0.00 C ATOM 75 C LYS A 6 5.588 10.697 6.182 1.00 0.00 C ATOM 76 O LYS A 6 6.028 9.721 5.575 1.00 0.00 O ATOM 77 CB LYS A 6 7.851 11.870 5.930 1.00 0.00 C ATOM 78 CG LYS A 6 8.457 10.840 6.885 1.00 0.00 C ATOM 79 CD LYS A 6 9.970 10.731 6.686 1.00 0.00 C ATOM 80 CE LYS A 6 10.329 9.470 5.897 1.00 0.00 C ATOM 81 NZ LYS A 6 10.948 8.460 6.784 1.00 0.00 N ATOM 0 H LYS A 6 5.990 13.737 7.323 1.00 0.00 H new ATOM 0 HA LYS A 6 5.972 12.601 5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.028 11.563 4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.345 12.832 6.066 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.242 11.123 7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.994 9.868 6.718 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.335 11.611 6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.468 10.712 7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.433 9.056 5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.016 9.723 5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.185 7.611 6.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.814 8.852 7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.280 8.206 7.540 1.00 0.00 H new ATOM 95 N ILE A 7 4.461 10.703 6.877 1.00 0.00 N ATOM 96 CA ILE A 7 3.636 9.511 6.974 1.00 0.00 C ATOM 97 C ILE A 7 2.349 9.720 6.174 1.00 0.00 C ATOM 98 O ILE A 7 1.354 10.210 6.707 1.00 0.00 O ATOM 99 CB ILE A 7 3.395 9.145 8.440 1.00 0.00 C ATOM 100 CG1 ILE A 7 2.527 7.890 8.556 1.00 0.00 C ATOM 101 CG2 ILE A 7 2.801 10.326 9.211 1.00 0.00 C ATOM 102 CD1 ILE A 7 3.381 6.622 8.479 1.00 0.00 C ATOM 0 H ILE A 7 4.099 11.514 7.379 1.00 0.00 H new ATOM 0 HA ILE A 7 4.150 8.656 6.535 1.00 0.00 H new ATOM 0 HB ILE A 7 4.358 8.915 8.897 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.980 7.908 9.499 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.785 7.882 7.758 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.640 10.038 10.250 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.490 11.170 9.171 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.850 10.612 8.762 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.739 5.745 8.564 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.907 6.595 7.525 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.106 6.621 9.293 1.00 0.00 H new ATOM 114 N LYS A 8 2.410 9.339 4.906 1.00 0.00 N ATOM 115 CA LYS A 8 1.261 9.479 4.027 1.00 0.00 C ATOM 116 C LYS A 8 0.885 8.107 3.464 1.00 0.00 C ATOM 117 O LYS A 8 1.758 7.285 3.187 1.00 0.00 O ATOM 118 CB LYS A 8 1.535 10.531 2.950 1.00 0.00 C ATOM 119 CG LYS A 8 0.454 11.613 2.953 1.00 0.00 C ATOM 120 CD LYS A 8 0.986 12.920 2.362 1.00 0.00 C ATOM 121 CE LYS A 8 0.190 13.323 1.118 1.00 0.00 C ATOM 122 NZ LYS A 8 0.042 14.793 1.052 1.00 0.00 N ATOM 0 H LYS A 8 3.237 8.934 4.467 1.00 0.00 H new ATOM 0 HA LYS A 8 0.398 9.843 4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.511 10.986 3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.573 10.053 1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.407 11.273 2.378 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.109 11.785 3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.926 13.712 3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.039 12.805 2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.696 12.962 0.223 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.793 12.853 1.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.907 15.061 1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.758 15.242 1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.171 15.111 0.070 1.00 0.00 H new ATOM 136 N VAL A 9 -0.415 7.901 3.310 1.00 0.00 N ATOM 137 CA VAL A 9 -0.917 6.642 2.786 1.00 0.00 C ATOM 138 C VAL A 9 -1.311 6.827 1.320 1.00 0.00 C ATOM 139 O VAL A 9 -2.101 7.712 0.992 1.00 0.00 O ATOM 140 CB VAL A 9 -2.069 6.135 3.655 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.419 4.686 3.311 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.740 6.282 5.142 1.00 0.00 C ATOM 0 H VAL A 9 -1.136 8.585 3.539 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.141 5.877 2.821 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.944 6.750 3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.241 4.350 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.717 4.622 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.549 4.052 3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.576 5.914 5.738 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.846 5.704 5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.564 7.332 5.374 1.00 0.00 H new ATOM 152 N LEU A 10 -0.741 5.979 0.475 1.00 0.00 N ATOM 153 CA LEU A 10 -1.023 6.038 -0.949 1.00 0.00 C ATOM 154 C LEU A 10 -1.869 4.826 -1.348 1.00 0.00 C ATOM 155 O LEU A 10 -1.414 3.688 -1.246 1.00 0.00 O ATOM 156 CB LEU A 10 0.275 6.171 -1.747 1.00 0.00 C ATOM 157 CG LEU A 10 0.255 5.591 -3.162 1.00 0.00 C ATOM 158 CD1 LEU A 10 0.913 4.210 -3.198 1.00 0.00 C ATOM 159 CD2 LEU A 10 -1.168 5.562 -3.723 1.00 0.00 C ATOM 0 H LEU A 10 -0.085 5.248 0.750 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.608 6.927 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.531 7.228 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.074 5.684 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 10 0.842 6.245 -3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.885 3.820 -4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.949 4.292 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.374 3.533 -2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.154 5.145 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.799 4.944 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.567 6.576 -3.756 1.00 0.00 H new ATOM 171 N ILE A 11 -3.083 5.113 -1.792 1.00 0.00 N ATOM 172 CA ILE A 11 -3.996 4.061 -2.207 1.00 0.00 C ATOM 173 C ILE A 11 -4.678 4.469 -3.514 1.00 0.00 C ATOM 174 O ILE A 11 -5.501 5.383 -3.530 1.00 0.00 O ATOM 175 CB ILE A 11 -4.976 3.728 -1.080 1.00 0.00 C ATOM 176 CG1 ILE A 11 -6.020 4.835 -0.916 1.00 0.00 C ATOM 177 CG2 ILE A 11 -4.233 3.442 0.227 1.00 0.00 C ATOM 178 CD1 ILE A 11 -6.829 4.640 0.368 1.00 0.00 C ATOM 0 H ILE A 11 -3.456 6.059 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.450 3.139 -2.407 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.511 2.818 -1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.525 5.806 -0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.690 4.838 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.953 3.208 1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.562 2.595 0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.654 4.319 0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.564 5.440 0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.342 3.679 0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.159 4.662 1.227 1.00 0.00 H new ATOM 190 N VAL A 12 -4.311 3.771 -4.578 1.00 0.00 N ATOM 191 CA VAL A 12 -4.877 4.049 -5.888 1.00 0.00 C ATOM 192 C VAL A 12 -5.337 2.738 -6.528 1.00 0.00 C ATOM 193 O VAL A 12 -4.599 1.754 -6.535 1.00 0.00 O ATOM 194 CB VAL A 12 -3.863 4.810 -6.745 1.00 0.00 C ATOM 195 CG1 VAL A 12 -2.571 4.006 -6.909 1.00 0.00 C ATOM 196 CG2 VAL A 12 -4.460 5.173 -8.106 1.00 0.00 C ATOM 0 H VAL A 12 -3.629 3.013 -4.560 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.753 4.691 -5.798 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.616 5.738 -6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.867 4.569 -7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.131 3.821 -5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.793 3.055 -7.393 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.719 5.713 -8.696 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.748 4.263 -8.631 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.338 5.802 -7.962 1.00 0.00 H new ATOM 206 N ASP A 13 -6.554 2.767 -7.051 1.00 0.00 N ATOM 207 CA ASP A 13 -7.122 1.594 -7.692 1.00 0.00 C ATOM 208 C ASP A 13 -7.877 2.022 -8.952 1.00 0.00 C ATOM 209 O ASP A 13 -8.503 3.080 -8.975 1.00 0.00 O ATOM 210 CB ASP A 13 -8.109 0.883 -6.766 1.00 0.00 C ATOM 211 CG ASP A 13 -7.526 0.424 -5.429 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.086 1.311 -4.667 1.00 0.00 O ATOM 213 OD2 ASP A 13 -7.535 -0.805 -5.198 1.00 0.00 O ATOM 0 H ASP A 13 -7.163 3.585 -7.044 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.305 0.915 -7.936 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.946 1.553 -6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.511 0.014 -7.287 1.00 0.00 H new ATOM 218 N ASP A 14 -7.793 1.177 -9.969 1.00 0.00 N ATOM 219 CA ASP A 14 -8.462 1.454 -11.230 1.00 0.00 C ATOM 220 C ASP A 14 -9.951 1.695 -10.970 1.00 0.00 C ATOM 221 O ASP A 14 -10.510 2.693 -11.423 1.00 0.00 O ATOM 222 CB ASP A 14 -8.336 0.272 -12.192 1.00 0.00 C ATOM 223 CG ASP A 14 -8.260 0.649 -13.673 1.00 0.00 C ATOM 224 OD1 ASP A 14 -7.137 0.960 -14.122 1.00 0.00 O ATOM 225 OD2 ASP A 14 -9.328 0.617 -14.322 1.00 0.00 O ATOM 0 H ASP A 14 -7.272 0.300 -9.946 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.993 2.332 -11.674 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.443 -0.296 -11.931 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.189 -0.390 -12.044 1.00 0.00 H new ATOM 230 N GLN A 15 -10.550 0.764 -10.242 1.00 0.00 N ATOM 231 CA GLN A 15 -11.963 0.863 -9.917 1.00 0.00 C ATOM 232 C GLN A 15 -12.160 1.715 -8.661 1.00 0.00 C ATOM 233 O GLN A 15 -11.358 1.651 -7.730 1.00 0.00 O ATOM 234 CB GLN A 15 -12.583 -0.524 -9.741 1.00 0.00 C ATOM 235 CG GLN A 15 -13.873 -0.655 -10.554 1.00 0.00 C ATOM 236 CD GLN A 15 -14.582 -1.976 -10.249 1.00 0.00 C ATOM 237 OE1 GLN A 15 -14.221 -2.709 -9.343 1.00 0.00 O ATOM 238 NE2 GLN A 15 -15.607 -2.239 -11.055 1.00 0.00 N ATOM 0 H GLN A 15 -10.083 -0.062 -9.868 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.474 1.351 -10.747 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.871 -1.287 -10.056 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.794 -0.701 -8.686 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.537 0.179 -10.326 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.644 -0.599 -11.618 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.856 -1.582 -11.794 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.144 -3.098 -10.934 1.00 0.00 H new ATOM 247 N VAL A 16 -13.233 2.493 -8.674 1.00 0.00 N ATOM 248 CA VAL A 16 -13.545 3.356 -7.549 1.00 0.00 C ATOM 249 C VAL A 16 -13.972 2.498 -6.356 1.00 0.00 C ATOM 250 O VAL A 16 -13.589 2.773 -5.220 1.00 0.00 O ATOM 251 CB VAL A 16 -14.603 4.384 -7.955 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.403 4.857 -6.739 1.00 0.00 C ATOM 253 CG2 VAL A 16 -13.966 5.566 -8.687 1.00 0.00 C ATOM 0 H VAL A 16 -13.897 2.543 -9.447 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.663 3.920 -7.245 1.00 0.00 H new ATOM 0 HB VAL A 16 -15.296 3.899 -8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -16.148 5.587 -7.055 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.903 4.005 -6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.729 5.316 -6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.740 6.282 -8.964 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.241 6.051 -8.033 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.463 5.209 -9.586 1.00 0.00 H new ATOM 263 N THR A 17 -14.760 1.475 -6.656 1.00 0.00 N ATOM 264 CA THR A 17 -15.243 0.575 -5.623 1.00 0.00 C ATOM 265 C THR A 17 -14.069 -0.034 -4.855 1.00 0.00 C ATOM 266 O THR A 17 -14.166 -0.268 -3.651 1.00 0.00 O ATOM 267 CB THR A 17 -16.141 -0.470 -6.289 1.00 0.00 C ATOM 268 OG1 THR A 17 -17.455 -0.122 -5.862 1.00 0.00 O ATOM 269 CG2 THR A 17 -15.926 -1.875 -5.722 1.00 0.00 C ATOM 0 H THR A 17 -15.076 1.250 -7.600 1.00 0.00 H new ATOM 0 HA THR A 17 -15.836 1.108 -4.879 1.00 0.00 H new ATOM 0 HB THR A 17 -15.952 -0.479 -7.362 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.102 -0.748 -6.250 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.588 -2.577 -6.229 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.890 -2.176 -5.878 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.147 -1.874 -4.655 1.00 0.00 H new ATOM 277 N SER A 18 -12.988 -0.272 -5.581 1.00 0.00 N ATOM 278 CA SER A 18 -11.796 -0.850 -4.982 1.00 0.00 C ATOM 279 C SER A 18 -11.087 0.194 -4.118 1.00 0.00 C ATOM 280 O SER A 18 -10.882 -0.018 -2.924 1.00 0.00 O ATOM 281 CB SER A 18 -10.846 -1.386 -6.055 1.00 0.00 C ATOM 282 OG SER A 18 -11.549 -1.966 -7.150 1.00 0.00 O ATOM 0 H SER A 18 -12.911 -0.075 -6.579 1.00 0.00 H new ATOM 0 HA SER A 18 -12.099 -1.687 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.215 -0.575 -6.418 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.184 -2.131 -5.614 1.00 0.00 H new ATOM 0 HG SER A 18 -11.048 -2.738 -7.488 1.00 0.00 H new ATOM 288 N ARG A 19 -10.730 1.301 -4.755 1.00 0.00 N ATOM 289 CA ARG A 19 -10.048 2.378 -4.059 1.00 0.00 C ATOM 290 C ARG A 19 -10.932 2.931 -2.939 1.00 0.00 C ATOM 291 O ARG A 19 -10.428 3.395 -1.917 1.00 0.00 O ATOM 292 CB ARG A 19 -9.687 3.513 -5.020 1.00 0.00 C ATOM 293 CG ARG A 19 -10.935 4.057 -5.719 1.00 0.00 C ATOM 294 CD ARG A 19 -11.675 5.052 -4.824 1.00 0.00 C ATOM 295 NE ARG A 19 -11.862 6.334 -5.539 1.00 0.00 N ATOM 296 CZ ARG A 19 -10.952 7.317 -5.571 1.00 0.00 C ATOM 297 NH1 ARG A 19 -9.785 7.171 -4.927 1.00 0.00 N ATOM 298 NH2 ARG A 19 -11.208 8.446 -6.246 1.00 0.00 N ATOM 0 H ARG A 19 -10.901 1.474 -5.746 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.131 1.969 -3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.194 4.316 -4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.977 3.152 -5.764 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.651 4.544 -6.652 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.599 3.233 -5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.643 4.643 -4.534 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.111 5.217 -3.906 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.739 6.479 -6.039 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.590 6.312 -4.413 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.092 7.919 -4.951 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.096 8.557 -6.736 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.515 9.194 -6.270 1.00 0.00 H new ATOM 312 N LEU A 20 -12.235 2.861 -3.167 1.00 0.00 N ATOM 313 CA LEU A 20 -13.194 3.348 -2.190 1.00 0.00 C ATOM 314 C LEU A 20 -13.216 2.402 -0.988 1.00 0.00 C ATOM 315 O LEU A 20 -13.220 2.849 0.158 1.00 0.00 O ATOM 316 CB LEU A 20 -14.565 3.550 -2.839 1.00 0.00 C ATOM 317 CG LEU A 20 -15.728 3.817 -1.882 1.00 0.00 C ATOM 318 CD1 LEU A 20 -16.692 4.852 -2.465 1.00 0.00 C ATOM 319 CD2 LEU A 20 -16.441 2.516 -1.507 1.00 0.00 C ATOM 0 H LEU A 20 -12.650 2.474 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.895 4.328 -1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.495 4.385 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.801 2.663 -3.427 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.322 4.238 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.509 5.023 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -16.160 5.788 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -17.094 4.484 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.263 2.735 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.832 2.043 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.736 1.842 -1.020 1.00 0.00 H new ATOM 331 N LEU A 21 -13.228 1.112 -1.292 1.00 0.00 N ATOM 332 CA LEU A 21 -13.249 0.099 -0.249 1.00 0.00 C ATOM 333 C LEU A 21 -12.005 0.251 0.629 1.00 0.00 C ATOM 334 O LEU A 21 -12.115 0.431 1.841 1.00 0.00 O ATOM 335 CB LEU A 21 -13.404 -1.294 -0.861 1.00 0.00 C ATOM 336 CG LEU A 21 -14.808 -1.664 -1.345 1.00 0.00 C ATOM 337 CD1 LEU A 21 -14.749 -2.754 -2.416 1.00 0.00 C ATOM 338 CD2 LEU A 21 -15.706 -2.059 -0.171 1.00 0.00 C ATOM 0 H LEU A 21 -13.224 0.745 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.115 0.236 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.718 -1.377 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.091 -2.031 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.254 -0.783 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.760 -2.998 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.169 -2.397 -3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.276 -3.645 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.698 -2.317 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.276 -2.919 0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.785 -1.223 0.524 1.00 0.00 H new ATOM 350 N LEU A 22 -10.851 0.173 -0.016 1.00 0.00 N ATOM 351 CA LEU A 22 -9.588 0.300 0.690 1.00 0.00 C ATOM 352 C LEU A 22 -9.569 1.623 1.458 1.00 0.00 C ATOM 353 O LEU A 22 -9.257 1.650 2.648 1.00 0.00 O ATOM 354 CB LEU A 22 -8.414 0.133 -0.276 1.00 0.00 C ATOM 355 CG LEU A 22 -8.572 0.796 -1.646 1.00 0.00 C ATOM 356 CD1 LEU A 22 -7.711 2.058 -1.745 1.00 0.00 C ATOM 357 CD2 LEU A 22 -8.272 -0.194 -2.772 1.00 0.00 C ATOM 0 H LEU A 22 -10.764 0.023 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.481 -0.498 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.519 0.535 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.243 -0.933 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.611 1.105 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.841 2.511 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.015 2.767 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.663 1.795 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.392 0.303 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.248 -0.556 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.962 -1.036 -2.710 1.00 0.00 H new ATOM 369 N GLY A 23 -9.907 2.688 0.747 1.00 0.00 N ATOM 370 CA GLY A 23 -9.933 4.011 1.346 1.00 0.00 C ATOM 371 C GLY A 23 -10.968 4.084 2.471 1.00 0.00 C ATOM 372 O GLY A 23 -10.802 4.842 3.425 1.00 0.00 O ATOM 0 H GLY A 23 -10.165 2.662 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.946 4.256 1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.166 4.755 0.584 1.00 0.00 H new ATOM 376 N ASP A 24 -12.014 3.284 2.321 1.00 0.00 N ATOM 377 CA ASP A 24 -13.076 3.249 3.312 1.00 0.00 C ATOM 378 C ASP A 24 -12.607 2.448 4.528 1.00 0.00 C ATOM 379 O ASP A 24 -12.746 2.899 5.665 1.00 0.00 O ATOM 380 CB ASP A 24 -14.328 2.569 2.753 1.00 0.00 C ATOM 381 CG ASP A 24 -15.557 2.630 3.662 1.00 0.00 C ATOM 382 OD1 ASP A 24 -15.697 3.658 4.360 1.00 0.00 O ATOM 383 OD2 ASP A 24 -16.329 1.647 3.639 1.00 0.00 O ATOM 0 H ASP A 24 -12.148 2.656 1.529 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.315 4.276 3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.578 3.030 1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.096 1.523 2.551 1.00 0.00 H new ATOM 388 N ALA A 25 -12.058 1.275 4.249 1.00 0.00 N ATOM 389 CA ALA A 25 -11.567 0.408 5.306 1.00 0.00 C ATOM 390 C ALA A 25 -10.470 1.134 6.087 1.00 0.00 C ATOM 391 O ALA A 25 -10.480 1.141 7.317 1.00 0.00 O ATOM 392 CB ALA A 25 -11.077 -0.908 4.699 1.00 0.00 C ATOM 0 H ALA A 25 -11.942 0.905 3.306 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.366 0.167 6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.708 -1.559 5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.901 -1.398 4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.272 -0.705 3.992 1.00 0.00 H new ATOM 398 N LEU A 26 -9.550 1.727 5.340 1.00 0.00 N ATOM 399 CA LEU A 26 -8.449 2.454 5.948 1.00 0.00 C ATOM 400 C LEU A 26 -8.978 3.750 6.567 1.00 0.00 C ATOM 401 O LEU A 26 -8.402 4.264 7.524 1.00 0.00 O ATOM 402 CB LEU A 26 -7.326 2.673 4.932 1.00 0.00 C ATOM 403 CG LEU A 26 -6.263 1.575 4.860 1.00 0.00 C ATOM 404 CD1 LEU A 26 -5.158 1.812 5.891 1.00 0.00 C ATOM 405 CD2 LEU A 26 -6.896 0.190 5.006 1.00 0.00 C ATOM 0 H LEU A 26 -9.545 1.719 4.320 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.008 1.871 6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.773 2.783 3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.831 3.616 5.165 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.797 1.615 3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.416 1.017 5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.681 2.773 5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.589 1.815 6.892 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.119 -0.573 4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.404 0.122 5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.616 0.033 4.203 1.00 0.00 H new ATOM 417 N GLN A 27 -10.069 4.238 5.996 1.00 0.00 N ATOM 418 CA GLN A 27 -10.683 5.463 6.480 1.00 0.00 C ATOM 419 C GLN A 27 -11.110 5.301 7.940 1.00 0.00 C ATOM 420 O GLN A 27 -10.828 6.163 8.772 1.00 0.00 O ATOM 421 CB GLN A 27 -11.871 5.864 5.604 1.00 0.00 C ATOM 422 CG GLN A 27 -11.492 7.006 4.657 1.00 0.00 C ATOM 423 CD GLN A 27 -11.896 8.360 5.242 1.00 0.00 C ATOM 424 OE1 GLN A 27 -11.879 8.578 6.442 1.00 0.00 O ATOM 425 NE2 GLN A 27 -12.260 9.257 4.329 1.00 0.00 N ATOM 0 H GLN A 27 -10.544 3.807 5.203 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.945 6.263 6.423 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.208 5.004 5.026 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.705 6.171 6.235 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.417 6.991 4.475 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.981 6.862 3.694 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.252 9.010 3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.547 10.192 4.619 1.00 0.00 H new ATOM 434 N GLN A 28 -11.782 4.191 8.208 1.00 0.00 N ATOM 435 CA GLN A 28 -12.250 3.906 9.554 1.00 0.00 C ATOM 436 C GLN A 28 -11.068 3.586 10.471 1.00 0.00 C ATOM 437 O GLN A 28 -11.215 3.551 11.691 1.00 0.00 O ATOM 438 CB GLN A 28 -13.266 2.762 9.549 1.00 0.00 C ATOM 439 CG GLN A 28 -14.666 3.271 9.895 1.00 0.00 C ATOM 440 CD GLN A 28 -14.919 3.201 11.403 1.00 0.00 C ATOM 441 OE1 GLN A 28 -15.127 4.200 12.071 1.00 0.00 O ATOM 442 NE2 GLN A 28 -14.891 1.967 11.898 1.00 0.00 N ATOM 0 H GLN A 28 -12.014 3.478 7.516 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.752 4.793 9.939 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.280 2.287 8.568 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.964 2.000 10.267 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.778 4.299 9.551 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.413 2.676 9.369 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.711 1.174 11.282 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.050 1.813 12.894 1.00 0.00 H new ATOM 451 N LEU A 29 -9.920 3.359 9.847 1.00 0.00 N ATOM 452 CA LEU A 29 -8.714 3.044 10.592 1.00 0.00 C ATOM 453 C LEU A 29 -7.939 4.334 10.871 1.00 0.00 C ATOM 454 O LEU A 29 -7.006 4.340 11.671 1.00 0.00 O ATOM 455 CB LEU A 29 -7.893 1.981 9.856 1.00 0.00 C ATOM 456 CG LEU A 29 -6.396 2.266 9.720 1.00 0.00 C ATOM 457 CD1 LEU A 29 -5.703 2.218 11.083 1.00 0.00 C ATOM 458 CD2 LEU A 29 -5.746 1.316 8.713 1.00 0.00 C ATOM 0 H LEU A 29 -9.801 3.387 8.834 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.966 2.608 11.559 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.016 1.031 10.376 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.311 1.855 8.857 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.275 3.278 9.332 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.640 2.424 10.958 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.143 2.967 11.741 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.832 1.229 11.522 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.682 1.540 8.636 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.876 0.287 9.047 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.216 1.443 7.738 1.00 0.00 H new ATOM 470 N GLY A 30 -8.358 5.395 10.197 1.00 0.00 N ATOM 471 CA GLY A 30 -7.716 6.688 10.364 1.00 0.00 C ATOM 472 C GLY A 30 -6.263 6.645 9.886 1.00 0.00 C ATOM 473 O GLY A 30 -5.423 7.401 10.371 1.00 0.00 O ATOM 0 H GLY A 30 -9.134 5.386 9.535 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.264 7.445 9.804 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.749 6.981 11.413 1.00 0.00 H new ATOM 477 N PHE A 31 -6.011 5.750 8.942 1.00 0.00 N ATOM 478 CA PHE A 31 -4.674 5.597 8.393 1.00 0.00 C ATOM 479 C PHE A 31 -3.818 6.832 8.683 1.00 0.00 C ATOM 480 O PHE A 31 -3.288 6.980 9.783 1.00 0.00 O ATOM 481 CB PHE A 31 -4.826 5.441 6.878 1.00 0.00 C ATOM 482 CG PHE A 31 -5.826 6.415 6.251 1.00 0.00 C ATOM 483 CD1 PHE A 31 -7.040 6.613 6.831 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.500 7.083 5.112 1.00 0.00 C ATOM 485 CE1 PHE A 31 -7.967 7.516 6.249 1.00 0.00 C ATOM 486 CE2 PHE A 31 -6.428 7.988 4.529 1.00 0.00 C ATOM 487 CZ PHE A 31 -7.642 8.185 5.110 1.00 0.00 C ATOM 0 H PHE A 31 -6.710 5.123 8.543 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.184 4.734 8.843 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.853 5.583 6.409 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.140 4.421 6.657 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.299 6.082 7.735 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.536 6.926 4.651 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.931 7.672 6.710 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.169 8.519 3.625 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.348 8.872 4.667 1.00 0.00 H new ATOM 497 N LYS A 32 -3.710 7.687 7.677 1.00 0.00 N ATOM 498 CA LYS A 32 -2.928 8.904 7.810 1.00 0.00 C ATOM 499 C LYS A 32 -3.348 9.897 6.724 1.00 0.00 C ATOM 500 O LYS A 32 -3.748 11.020 7.025 1.00 0.00 O ATOM 501 CB LYS A 32 -1.432 8.582 7.805 1.00 0.00 C ATOM 502 CG LYS A 32 -0.654 9.581 8.665 1.00 0.00 C ATOM 503 CD LYS A 32 -1.013 9.427 10.144 1.00 0.00 C ATOM 504 CE LYS A 32 -1.847 10.614 10.633 1.00 0.00 C ATOM 505 NZ LYS A 32 -2.674 10.222 11.795 1.00 0.00 N ATOM 0 H LYS A 32 -4.151 7.561 6.766 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.125 9.381 8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.272 7.571 8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.055 8.605 6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.416 9.427 8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.874 10.597 8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.569 8.501 10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.102 9.350 10.737 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.190 11.439 10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.488 10.972 9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.233 11.039 12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.314 9.450 11.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.057 9.902 12.568 1.00 0.00 H new ATOM 519 N GLN A 33 -3.241 9.446 5.482 1.00 0.00 N ATOM 520 CA GLN A 33 -3.604 10.279 4.349 1.00 0.00 C ATOM 521 C GLN A 33 -3.902 9.412 3.125 1.00 0.00 C ATOM 522 O GLN A 33 -3.098 8.558 2.754 1.00 0.00 O ATOM 523 CB GLN A 33 -2.505 11.299 4.044 1.00 0.00 C ATOM 524 CG GLN A 33 -2.937 12.709 4.453 1.00 0.00 C ATOM 525 CD GLN A 33 -2.495 13.740 3.413 1.00 0.00 C ATOM 526 OE1 GLN A 33 -2.726 13.600 2.223 1.00 0.00 O ATOM 527 NE2 GLN A 33 -1.846 14.783 3.926 1.00 0.00 N ATOM 0 H GLN A 33 -2.908 8.514 5.236 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.507 10.833 4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.593 11.026 4.575 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.272 11.281 2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.021 12.743 4.566 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.507 12.958 5.423 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.685 14.839 4.932 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.509 15.526 3.313 1.00 0.00 H new ATOM 536 N ILE A 34 -5.061 9.660 2.531 1.00 0.00 N ATOM 537 CA ILE A 34 -5.474 8.912 1.356 1.00 0.00 C ATOM 538 C ILE A 34 -5.022 9.655 0.098 1.00 0.00 C ATOM 539 O ILE A 34 -5.536 10.730 -0.211 1.00 0.00 O ATOM 540 CB ILE A 34 -6.978 8.635 1.400 1.00 0.00 C ATOM 541 CG1 ILE A 34 -7.725 9.770 2.102 1.00 0.00 C ATOM 542 CG2 ILE A 34 -7.267 7.275 2.041 1.00 0.00 C ATOM 543 CD1 ILE A 34 -9.216 9.740 1.760 1.00 0.00 C ATOM 0 H ILE A 34 -5.726 10.368 2.842 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.993 7.934 1.338 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.347 8.593 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.594 9.684 3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.299 10.729 1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.343 7.103 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.784 6.489 1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.880 7.263 3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.723 10.558 2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.345 9.851 0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.644 8.790 2.080 1.00 0.00 H new ATOM 555 N THR A 35 -4.065 9.054 -0.595 1.00 0.00 N ATOM 556 CA THR A 35 -3.538 9.647 -1.812 1.00 0.00 C ATOM 557 C THR A 35 -3.641 8.656 -2.975 1.00 0.00 C ATOM 558 O THR A 35 -2.990 7.614 -2.966 1.00 0.00 O ATOM 559 CB THR A 35 -2.107 10.107 -1.533 1.00 0.00 C ATOM 560 OG1 THR A 35 -2.250 11.471 -1.144 1.00 0.00 O ATOM 561 CG2 THR A 35 -1.253 10.168 -2.800 1.00 0.00 C ATOM 0 H THR A 35 -3.641 8.163 -0.337 1.00 0.00 H new ATOM 0 HA THR A 35 -4.122 10.517 -2.113 1.00 0.00 H new ATOM 0 HB THR A 35 -1.642 9.431 -0.815 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.368 11.848 -0.943 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.247 10.500 -2.545 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.204 9.178 -3.254 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.699 10.869 -3.506 1.00 0.00 H new ATOM 569 N ALA A 36 -4.466 9.019 -3.947 1.00 0.00 N ATOM 570 CA ALA A 36 -4.663 8.176 -5.114 1.00 0.00 C ATOM 571 C ALA A 36 -4.406 8.997 -6.379 1.00 0.00 C ATOM 572 O ALA A 36 -4.753 10.175 -6.440 1.00 0.00 O ATOM 573 CB ALA A 36 -6.072 7.581 -5.080 1.00 0.00 C ATOM 0 H ALA A 36 -5.005 9.885 -3.950 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.958 7.345 -5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.221 6.948 -5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.193 6.984 -4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.807 8.386 -5.085 1.00 0.00 H new ATOM 579 N ALA A 37 -3.800 8.341 -7.358 1.00 0.00 N ATOM 580 CA ALA A 37 -3.493 8.994 -8.619 1.00 0.00 C ATOM 581 C ALA A 37 -3.507 7.957 -9.743 1.00 0.00 C ATOM 582 O ALA A 37 -2.886 6.901 -9.626 1.00 0.00 O ATOM 583 CB ALA A 37 -2.147 9.715 -8.506 1.00 0.00 C ATOM 0 H ALA A 37 -3.513 7.364 -7.303 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.247 9.745 -8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.916 10.205 -9.452 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.200 10.462 -7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.366 8.992 -8.272 1.00 0.00 H new ATOM 589 N GLY A 38 -4.220 8.294 -10.807 1.00 0.00 N ATOM 590 CA GLY A 38 -4.322 7.405 -11.952 1.00 0.00 C ATOM 591 C GLY A 38 -4.261 5.940 -11.514 1.00 0.00 C ATOM 592 O GLY A 38 -5.293 5.325 -11.247 1.00 0.00 O ATOM 0 H GLY A 38 -4.733 9.171 -10.901 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.257 7.592 -12.480 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.513 7.613 -12.652 1.00 0.00 H new ATOM 596 N ASP A 39 -3.043 5.423 -11.457 1.00 0.00 N ATOM 597 CA ASP A 39 -2.834 4.041 -11.058 1.00 0.00 C ATOM 598 C ASP A 39 -1.514 3.930 -10.291 1.00 0.00 C ATOM 599 O ASP A 39 -0.888 4.941 -9.975 1.00 0.00 O ATOM 600 CB ASP A 39 -2.751 3.121 -12.277 1.00 0.00 C ATOM 601 CG ASP A 39 -3.880 2.094 -12.390 1.00 0.00 C ATOM 602 OD1 ASP A 39 -4.235 1.524 -11.335 1.00 0.00 O ATOM 603 OD2 ASP A 39 -4.361 1.901 -13.526 1.00 0.00 O ATOM 0 H ASP A 39 -2.190 5.936 -11.680 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.677 3.739 -10.436 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.747 3.735 -13.177 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.799 2.591 -12.249 1.00 0.00 H new ATOM 608 N GLY A 40 -1.130 2.692 -10.015 1.00 0.00 N ATOM 609 CA GLY A 40 0.105 2.436 -9.292 1.00 0.00 C ATOM 610 C GLY A 40 1.220 3.372 -9.762 1.00 0.00 C ATOM 611 O GLY A 40 1.950 3.932 -8.946 1.00 0.00 O ATOM 0 H GLY A 40 -1.652 1.856 -10.279 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.061 2.570 -8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.409 1.400 -9.440 1.00 0.00 H new ATOM 615 N GLU A 41 1.315 3.514 -11.076 1.00 0.00 N ATOM 616 CA GLU A 41 2.329 4.372 -11.665 1.00 0.00 C ATOM 617 C GLU A 41 2.043 5.838 -11.331 1.00 0.00 C ATOM 618 O GLU A 41 2.895 6.530 -10.776 1.00 0.00 O ATOM 619 CB GLU A 41 2.415 4.161 -13.177 1.00 0.00 C ATOM 620 CG GLU A 41 3.422 3.061 -13.520 1.00 0.00 C ATOM 621 CD GLU A 41 3.946 3.223 -14.949 1.00 0.00 C ATOM 622 OE1 GLU A 41 3.218 3.846 -15.752 1.00 0.00 O ATOM 623 OE2 GLU A 41 5.061 2.723 -15.205 1.00 0.00 O ATOM 0 H GLU A 41 0.706 3.049 -11.749 1.00 0.00 H new ATOM 0 HA GLU A 41 3.296 4.104 -11.239 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.433 3.894 -13.567 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.709 5.092 -13.662 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.255 3.094 -12.818 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.951 2.084 -13.410 1.00 0.00 H new ATOM 630 N GLN A 42 0.839 6.267 -11.682 1.00 0.00 N ATOM 631 CA GLN A 42 0.430 7.637 -11.427 1.00 0.00 C ATOM 632 C GLN A 42 0.489 7.938 -9.928 1.00 0.00 C ATOM 633 O GLN A 42 0.950 9.004 -9.523 1.00 0.00 O ATOM 634 CB GLN A 42 -0.969 7.905 -11.985 1.00 0.00 C ATOM 635 CG GLN A 42 -1.069 9.317 -12.562 1.00 0.00 C ATOM 636 CD GLN A 42 -1.267 9.277 -14.080 1.00 0.00 C ATOM 637 OE1 GLN A 42 -1.920 8.401 -14.623 1.00 0.00 O ATOM 638 NE2 GLN A 42 -0.670 10.271 -14.730 1.00 0.00 N ATOM 0 H GLN A 42 0.134 5.690 -12.141 1.00 0.00 H new ATOM 0 HA GLN A 42 1.123 8.304 -11.940 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.201 7.175 -12.760 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.710 7.778 -11.195 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.901 9.846 -12.097 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.164 9.876 -12.324 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.138 10.972 -14.213 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.744 10.333 -15.745 1.00 0.00 H new ATOM 647 N GLY A 43 0.015 6.980 -9.145 1.00 0.00 N ATOM 648 CA GLY A 43 0.009 7.129 -7.699 1.00 0.00 C ATOM 649 C GLY A 43 1.426 7.025 -7.131 1.00 0.00 C ATOM 650 O GLY A 43 1.706 7.547 -6.052 1.00 0.00 O ATOM 0 H GLY A 43 -0.368 6.098 -9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.424 8.093 -7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.623 6.361 -7.253 1.00 0.00 H new ATOM 654 N MET A 44 2.282 6.348 -7.882 1.00 0.00 N ATOM 655 CA MET A 44 3.662 6.168 -7.466 1.00 0.00 C ATOM 656 C MET A 44 4.424 7.495 -7.506 1.00 0.00 C ATOM 657 O MET A 44 5.118 7.845 -6.553 1.00 0.00 O ATOM 658 CB MET A 44 4.347 5.159 -8.390 1.00 0.00 C ATOM 659 CG MET A 44 5.830 5.490 -8.560 1.00 0.00 C ATOM 660 SD MET A 44 6.667 5.374 -6.988 1.00 0.00 S ATOM 661 CE MET A 44 8.272 6.009 -7.442 1.00 0.00 C ATOM 0 H MET A 44 2.046 5.918 -8.776 1.00 0.00 H new ATOM 0 HA MET A 44 3.667 5.797 -6.441 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.240 4.155 -7.981 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.857 5.161 -9.363 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.284 4.804 -9.274 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.942 6.495 -8.968 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.925 6.006 -6.569 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.705 5.381 -8.221 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.168 7.028 -7.814 1.00 0.00 H new ATOM 671 N LYS A 45 4.269 8.196 -8.619 1.00 0.00 N ATOM 672 CA LYS A 45 4.933 9.476 -8.796 1.00 0.00 C ATOM 673 C LYS A 45 4.287 10.513 -7.874 1.00 0.00 C ATOM 674 O LYS A 45 4.977 11.354 -7.300 1.00 0.00 O ATOM 675 CB LYS A 45 4.933 9.880 -10.271 1.00 0.00 C ATOM 676 CG LYS A 45 3.507 9.957 -10.820 1.00 0.00 C ATOM 677 CD LYS A 45 3.416 9.312 -12.204 1.00 0.00 C ATOM 678 CE LYS A 45 4.598 9.730 -13.082 1.00 0.00 C ATOM 679 NZ LYS A 45 5.467 8.566 -13.369 1.00 0.00 N ATOM 0 H LYS A 45 3.693 7.902 -9.408 1.00 0.00 H new ATOM 0 HA LYS A 45 5.982 9.404 -8.509 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.423 10.847 -10.387 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.510 9.158 -10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.823 9.456 -10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.192 10.999 -10.879 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.399 8.227 -12.103 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.481 9.602 -12.684 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.232 10.157 -14.016 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.175 10.507 -12.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.448 8.888 -13.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.420 7.894 -12.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.144 8.098 -14.239 1.00 0.00 H new ATOM 693 N ILE A 46 2.970 10.419 -7.763 1.00 0.00 N ATOM 694 CA ILE A 46 2.224 11.338 -6.921 1.00 0.00 C ATOM 695 C ILE A 46 2.579 11.085 -5.455 1.00 0.00 C ATOM 696 O ILE A 46 2.619 12.016 -4.651 1.00 0.00 O ATOM 697 CB ILE A 46 0.725 11.238 -7.215 1.00 0.00 C ATOM 698 CG1 ILE A 46 0.334 12.144 -8.385 1.00 0.00 C ATOM 699 CG2 ILE A 46 -0.102 11.531 -5.962 1.00 0.00 C ATOM 700 CD1 ILE A 46 0.830 11.569 -9.713 1.00 0.00 C ATOM 0 H ILE A 46 2.401 9.721 -8.242 1.00 0.00 H new ATOM 0 HA ILE A 46 2.503 12.368 -7.144 1.00 0.00 H new ATOM 0 HB ILE A 46 0.504 10.213 -7.513 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.750 12.257 -8.416 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.754 13.139 -8.236 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.163 11.453 -6.200 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.149 10.811 -5.183 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.117 12.539 -5.609 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.539 12.232 -10.528 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.916 11.480 -9.688 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.389 10.585 -9.871 1.00 0.00 H new ATOM 712 N MET A 47 2.831 9.819 -5.150 1.00 0.00 N ATOM 713 CA MET A 47 3.182 9.432 -3.795 1.00 0.00 C ATOM 714 C MET A 47 4.650 9.746 -3.499 1.00 0.00 C ATOM 715 O MET A 47 4.973 10.285 -2.440 1.00 0.00 O ATOM 716 CB MET A 47 2.934 7.934 -3.611 1.00 0.00 C ATOM 717 CG MET A 47 3.819 7.362 -2.501 1.00 0.00 C ATOM 718 SD MET A 47 4.573 5.839 -3.045 1.00 0.00 S ATOM 719 CE MET A 47 6.067 6.479 -3.784 1.00 0.00 C ATOM 0 H MET A 47 2.799 9.049 -5.819 1.00 0.00 H new ATOM 0 HA MET A 47 2.561 10.000 -3.102 1.00 0.00 H new ATOM 0 HB2 MET A 47 1.885 7.763 -3.369 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.135 7.411 -4.546 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.591 8.083 -2.232 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.224 7.183 -1.606 1.00 0.00 H new ATOM 0 HE1 MET A 47 6.868 5.747 -3.678 1.00 0.00 H new ATOM 0 HE2 MET A 47 5.894 6.676 -4.842 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.353 7.405 -3.284 1.00 0.00 H new ATOM 729 N ALA A 48 5.502 9.395 -4.451 1.00 0.00 N ATOM 730 CA ALA A 48 6.928 9.633 -4.305 1.00 0.00 C ATOM 731 C ALA A 48 7.186 11.140 -4.245 1.00 0.00 C ATOM 732 O ALA A 48 7.978 11.605 -3.428 1.00 0.00 O ATOM 733 CB ALA A 48 7.678 8.959 -5.456 1.00 0.00 C ATOM 0 H ALA A 48 5.232 8.947 -5.327 1.00 0.00 H new ATOM 0 HA ALA A 48 7.297 9.198 -3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.748 9.137 -5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.485 7.886 -5.437 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.336 9.373 -6.405 1.00 0.00 H new ATOM 739 N GLN A 49 6.501 11.861 -5.122 1.00 0.00 N ATOM 740 CA GLN A 49 6.646 13.306 -5.178 1.00 0.00 C ATOM 741 C GLN A 49 6.426 13.916 -3.793 1.00 0.00 C ATOM 742 O GLN A 49 6.846 15.042 -3.533 1.00 0.00 O ATOM 743 CB GLN A 49 5.688 13.913 -6.205 1.00 0.00 C ATOM 744 CG GLN A 49 6.382 14.111 -7.553 1.00 0.00 C ATOM 745 CD GLN A 49 7.105 15.459 -7.606 1.00 0.00 C ATOM 746 OE1 GLN A 49 8.218 15.615 -7.131 1.00 0.00 O ATOM 747 NE2 GLN A 49 6.411 16.422 -8.206 1.00 0.00 N ATOM 0 H GLN A 49 5.845 11.471 -5.799 1.00 0.00 H new ATOM 0 HA GLN A 49 7.662 13.538 -5.497 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.823 13.262 -6.330 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.316 14.870 -5.839 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.096 13.305 -7.720 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.647 14.057 -8.356 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.484 16.224 -8.582 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.806 17.359 -8.290 1.00 0.00 H new ATOM 756 N ASN A 50 5.768 13.145 -2.940 1.00 0.00 N ATOM 757 CA ASN A 50 5.485 13.596 -1.587 1.00 0.00 C ATOM 758 C ASN A 50 5.768 12.457 -0.606 1.00 0.00 C ATOM 759 O ASN A 50 6.253 11.398 -1.001 1.00 0.00 O ATOM 760 CB ASN A 50 4.017 13.999 -1.436 1.00 0.00 C ATOM 761 CG ASN A 50 3.347 14.153 -2.802 1.00 0.00 C ATOM 762 OD1 ASN A 50 3.932 14.634 -3.758 1.00 0.00 O ATOM 763 ND2 ASN A 50 2.089 13.721 -2.841 1.00 0.00 N ATOM 0 H ASN A 50 5.422 12.211 -3.159 1.00 0.00 H new ATOM 0 HA ASN A 50 6.118 14.459 -1.379 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.488 13.247 -0.850 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.949 14.937 -0.886 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.555 13.782 -3.708 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.658 13.329 -2.004 1.00 0.00 H new ATOM 770 N PRO A 51 5.445 12.720 0.689 1.00 0.00 N ATOM 771 CA PRO A 51 5.659 11.731 1.730 1.00 0.00 C ATOM 772 C PRO A 51 4.607 10.621 1.657 1.00 0.00 C ATOM 773 O PRO A 51 3.483 10.856 1.217 1.00 0.00 O ATOM 774 CB PRO A 51 5.608 12.512 3.033 1.00 0.00 C ATOM 775 CG PRO A 51 4.909 13.822 2.705 1.00 0.00 C ATOM 776 CD PRO A 51 4.869 13.964 1.193 1.00 0.00 C ATOM 0 HA PRO A 51 6.613 11.214 1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.063 11.960 3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.611 12.691 3.421 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.899 13.829 3.116 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.441 14.661 3.153 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.849 14.102 0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.443 14.829 0.861 1.00 0.00 H new ATOM 784 N HIS A 52 5.011 9.438 2.095 1.00 0.00 N ATOM 785 CA HIS A 52 4.117 8.292 2.085 1.00 0.00 C ATOM 786 C HIS A 52 4.699 7.179 2.957 1.00 0.00 C ATOM 787 O HIS A 52 5.908 7.130 3.183 1.00 0.00 O ATOM 788 CB HIS A 52 3.834 7.837 0.652 1.00 0.00 C ATOM 789 CG HIS A 52 5.003 7.153 -0.017 1.00 0.00 C ATOM 790 ND1 HIS A 52 6.088 7.846 -0.522 1.00 0.00 N ATOM 791 CD2 HIS A 52 5.244 5.832 -0.257 1.00 0.00 C ATOM 792 CE1 HIS A 52 6.938 6.972 -1.042 1.00 0.00 C ATOM 793 NE2 HIS A 52 6.413 5.724 -0.876 1.00 0.00 N ATOM 0 H HIS A 52 5.945 9.248 2.459 1.00 0.00 H new ATOM 0 HA HIS A 52 3.154 8.573 2.512 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.983 7.156 0.659 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.544 8.703 0.057 1.00 0.00 H new ATOM 0 HD1 HIS A 52 6.213 8.858 -0.498 1.00 0.00 H new ATOM 0 HD2 HIS A 52 4.594 5.013 0.011 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.881 7.207 -1.514 1.00 0.00 H new ATOM 802 N HIS A 53 3.814 6.311 3.423 1.00 0.00 N ATOM 803 CA HIS A 53 4.225 5.201 4.266 1.00 0.00 C ATOM 804 C HIS A 53 3.325 3.994 4.000 1.00 0.00 C ATOM 805 O HIS A 53 3.327 3.032 4.767 1.00 0.00 O ATOM 806 CB HIS A 53 4.241 5.615 5.739 1.00 0.00 C ATOM 807 CG HIS A 53 4.568 4.487 6.690 1.00 0.00 C ATOM 808 ND1 HIS A 53 3.600 3.663 7.234 1.00 0.00 N ATOM 809 CD2 HIS A 53 5.764 4.058 7.185 1.00 0.00 C ATOM 810 CE1 HIS A 53 4.198 2.780 8.021 1.00 0.00 C ATOM 811 NE2 HIS A 53 5.539 3.027 7.990 1.00 0.00 N ATOM 0 H HIS A 53 2.813 6.354 3.233 1.00 0.00 H new ATOM 0 HA HIS A 53 5.246 4.911 4.019 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.971 6.413 5.874 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.266 6.027 6.001 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.730 4.485 6.960 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.709 2.001 8.588 1.00 0.00 H new ATOM 0 HE2 HIS A 53 6.251 2.506 8.501 1.00 0.00 H new ATOM 820 N LEU A 54 2.577 4.082 2.909 1.00 0.00 N ATOM 821 CA LEU A 54 1.673 3.008 2.532 1.00 0.00 C ATOM 822 C LEU A 54 1.392 3.089 1.031 1.00 0.00 C ATOM 823 O LEU A 54 1.118 4.166 0.503 1.00 0.00 O ATOM 824 CB LEU A 54 0.412 3.040 3.397 1.00 0.00 C ATOM 825 CG LEU A 54 0.420 2.134 4.630 1.00 0.00 C ATOM 826 CD1 LEU A 54 0.223 2.947 5.910 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.615 1.016 4.494 1.00 0.00 C ATOM 0 H LEU A 54 2.579 4.880 2.274 1.00 0.00 H new ATOM 0 HA LEU A 54 2.134 2.038 2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.247 4.066 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.439 2.764 2.774 1.00 0.00 H new ATOM 0 HG LEU A 54 1.399 1.660 4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.233 2.278 6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.029 3.675 6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.733 3.468 5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.589 0.386 5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.609 1.451 4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.386 0.413 3.615 1.00 0.00 H new ATOM 839 N VAL A 55 1.470 1.935 0.383 1.00 0.00 N ATOM 840 CA VAL A 55 1.227 1.862 -1.047 1.00 0.00 C ATOM 841 C VAL A 55 0.303 0.679 -1.343 1.00 0.00 C ATOM 842 O VAL A 55 0.764 -0.454 -1.478 1.00 0.00 O ATOM 843 CB VAL A 55 2.556 1.785 -1.800 1.00 0.00 C ATOM 844 CG1 VAL A 55 2.332 1.830 -3.314 1.00 0.00 C ATOM 845 CG2 VAL A 55 3.505 2.899 -1.354 1.00 0.00 C ATOM 0 H VAL A 55 1.698 1.043 0.823 1.00 0.00 H new ATOM 0 HA VAL A 55 0.723 2.764 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 55 3.023 0.830 -1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.293 1.774 -3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.711 0.987 -3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.833 2.762 -3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.442 2.821 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.047 3.868 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.703 2.803 -0.286 1.00 0.00 H new ATOM 855 N ILE A 56 -0.983 0.982 -1.434 1.00 0.00 N ATOM 856 CA ILE A 56 -1.976 -0.043 -1.712 1.00 0.00 C ATOM 857 C ILE A 56 -2.616 0.228 -3.075 1.00 0.00 C ATOM 858 O ILE A 56 -2.945 1.370 -3.395 1.00 0.00 O ATOM 859 CB ILE A 56 -2.985 -0.134 -0.566 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.250 0.667 -0.885 1.00 0.00 C ATOM 861 CG2 ILE A 56 -2.353 0.297 0.759 1.00 0.00 C ATOM 862 CD1 ILE A 56 -5.228 -0.161 -1.719 1.00 0.00 C ATOM 0 H ILE A 56 -1.361 1.922 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.505 -1.024 -1.771 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.282 -1.177 -0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.731 0.979 0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.983 1.575 -1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.093 0.222 1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.507 -0.352 0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.008 1.328 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.118 0.432 -1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.753 -0.450 -2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.512 -1.056 -1.165 1.00 0.00 H new ATOM 874 N SER A 57 -2.771 -0.840 -3.843 1.00 0.00 N ATOM 875 CA SER A 57 -3.366 -0.732 -5.164 1.00 0.00 C ATOM 876 C SER A 57 -4.226 -1.964 -5.454 1.00 0.00 C ATOM 877 O SER A 57 -4.201 -2.934 -4.698 1.00 0.00 O ATOM 878 CB SER A 57 -2.290 -0.571 -6.240 1.00 0.00 C ATOM 879 OG SER A 57 -2.710 -1.090 -7.499 1.00 0.00 O ATOM 0 H SER A 57 -2.495 -1.785 -3.576 1.00 0.00 H new ATOM 0 HA SER A 57 -3.998 0.156 -5.183 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.041 0.485 -6.348 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.381 -1.082 -5.923 1.00 0.00 H new ATOM 0 HG SER A 57 -1.996 -0.966 -8.158 1.00 0.00 H new ATOM 885 N ASP A 58 -4.965 -1.885 -6.550 1.00 0.00 N ATOM 886 CA ASP A 58 -5.831 -2.982 -6.949 1.00 0.00 C ATOM 887 C ASP A 58 -5.122 -3.825 -8.011 1.00 0.00 C ATOM 888 O ASP A 58 -3.952 -3.596 -8.312 1.00 0.00 O ATOM 889 CB ASP A 58 -7.137 -2.460 -7.553 1.00 0.00 C ATOM 890 CG ASP A 58 -8.411 -3.005 -6.906 1.00 0.00 C ATOM 891 OD1 ASP A 58 -8.350 -3.304 -5.694 1.00 0.00 O ATOM 892 OD2 ASP A 58 -9.419 -3.112 -7.638 1.00 0.00 O ATOM 0 H ASP A 58 -4.982 -1.079 -7.175 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.055 -3.575 -6.063 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.146 -1.373 -7.478 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.153 -2.706 -8.615 1.00 0.00 H new ATOM 897 N PHE A 59 -5.862 -4.783 -8.549 1.00 0.00 N ATOM 898 CA PHE A 59 -5.319 -5.662 -9.571 1.00 0.00 C ATOM 899 C PHE A 59 -6.026 -5.447 -10.911 1.00 0.00 C ATOM 900 O PHE A 59 -5.948 -6.294 -11.800 1.00 0.00 O ATOM 901 CB PHE A 59 -5.566 -7.098 -9.103 1.00 0.00 C ATOM 902 CG PHE A 59 -6.951 -7.326 -8.496 1.00 0.00 C ATOM 903 CD1 PHE A 59 -8.002 -6.558 -8.894 1.00 0.00 C ATOM 904 CD2 PHE A 59 -7.133 -8.296 -7.561 1.00 0.00 C ATOM 905 CE1 PHE A 59 -9.288 -6.770 -8.331 1.00 0.00 C ATOM 906 CE2 PHE A 59 -8.421 -8.508 -6.999 1.00 0.00 C ATOM 907 CZ PHE A 59 -9.470 -7.740 -7.396 1.00 0.00 C ATOM 0 H PHE A 59 -6.832 -4.970 -8.297 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.258 -5.457 -9.713 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.436 -7.772 -9.950 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.809 -7.364 -8.365 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.858 -5.788 -9.637 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.299 -8.905 -7.245 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.122 -6.160 -8.646 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.566 -9.279 -6.257 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.449 -7.901 -6.968 1.00 0.00 H new ATOM 917 N ASN A 60 -6.697 -4.311 -11.013 1.00 0.00 N ATOM 918 CA ASN A 60 -7.417 -3.974 -12.231 1.00 0.00 C ATOM 919 C ASN A 60 -6.436 -3.936 -13.404 1.00 0.00 C ATOM 920 O ASN A 60 -6.323 -4.905 -14.154 1.00 0.00 O ATOM 921 CB ASN A 60 -8.073 -2.596 -12.119 1.00 0.00 C ATOM 922 CG ASN A 60 -9.597 -2.717 -12.073 1.00 0.00 C ATOM 923 OD1 ASN A 60 -10.310 -2.230 -12.934 1.00 0.00 O ATOM 924 ND2 ASN A 60 -10.056 -3.392 -11.023 1.00 0.00 N ATOM 0 H ASN A 60 -6.758 -3.611 -10.273 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.187 -4.729 -12.387 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.717 -2.092 -11.220 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.779 -1.979 -12.968 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.060 -3.527 -10.903 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.404 -3.774 -10.338 1.00 0.00 H new ATOM 931 N MET A 61 -5.752 -2.808 -13.527 1.00 0.00 N ATOM 932 CA MET A 61 -4.785 -2.632 -14.596 1.00 0.00 C ATOM 933 C MET A 61 -3.760 -1.555 -14.238 1.00 0.00 C ATOM 934 O MET A 61 -3.490 -0.658 -15.035 1.00 0.00 O ATOM 935 CB MET A 61 -5.513 -2.236 -15.883 1.00 0.00 C ATOM 936 CG MET A 61 -6.951 -2.758 -15.883 1.00 0.00 C ATOM 937 SD MET A 61 -7.830 -2.127 -17.302 1.00 0.00 S ATOM 938 CE MET A 61 -8.828 -0.874 -16.516 1.00 0.00 C ATOM 0 H MET A 61 -5.849 -2.007 -12.903 1.00 0.00 H new ATOM 0 HA MET A 61 -4.257 -3.575 -14.741 1.00 0.00 H new ATOM 0 HB2 MET A 61 -5.516 -1.151 -15.984 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.978 -2.634 -16.745 1.00 0.00 H new ATOM 0 HG2 MET A 61 -6.951 -3.848 -15.900 1.00 0.00 H new ATOM 0 HG3 MET A 61 -7.457 -2.454 -14.967 1.00 0.00 H new ATOM 0 HE1 MET A 61 -9.634 -0.576 -17.187 1.00 0.00 H new ATOM 0 HE2 MET A 61 -9.252 -1.272 -15.594 1.00 0.00 H new ATOM 0 HE3 MET A 61 -8.209 -0.007 -16.286 1.00 0.00 H new ATOM 948 N PRO A 62 -3.202 -1.681 -13.004 1.00 0.00 N ATOM 949 CA PRO A 62 -2.213 -0.729 -12.528 1.00 0.00 C ATOM 950 C PRO A 62 -0.859 -0.963 -13.202 1.00 0.00 C ATOM 951 O PRO A 62 -0.440 -2.105 -13.382 1.00 0.00 O ATOM 952 CB PRO A 62 -2.168 -0.927 -11.022 1.00 0.00 C ATOM 953 CG PRO A 62 -2.786 -2.291 -10.762 1.00 0.00 C ATOM 954 CD PRO A 62 -3.497 -2.730 -12.032 1.00 0.00 C ATOM 0 HA PRO A 62 -2.470 0.302 -12.773 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.143 -0.886 -10.653 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.723 -0.142 -10.508 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.017 -3.012 -10.486 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.488 -2.240 -9.930 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.135 -3.700 -12.374 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.570 -2.830 -11.871 1.00 0.00 H new ATOM 962 N LYS A 63 -0.212 0.138 -13.557 1.00 0.00 N ATOM 963 CA LYS A 63 1.085 0.068 -14.208 1.00 0.00 C ATOM 964 C LYS A 63 2.158 -0.247 -13.162 1.00 0.00 C ATOM 965 O LYS A 63 3.244 -0.713 -13.504 1.00 0.00 O ATOM 966 CB LYS A 63 1.356 1.347 -15.001 1.00 0.00 C ATOM 967 CG LYS A 63 0.537 1.373 -16.294 1.00 0.00 C ATOM 968 CD LYS A 63 0.853 0.158 -17.168 1.00 0.00 C ATOM 969 CE LYS A 63 0.569 0.454 -18.642 1.00 0.00 C ATOM 970 NZ LYS A 63 0.564 -0.798 -19.430 1.00 0.00 N ATOM 0 H LYS A 63 -0.562 1.084 -13.406 1.00 0.00 H new ATOM 0 HA LYS A 63 1.103 -0.741 -14.938 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.109 2.216 -14.392 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.418 1.415 -15.237 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.526 1.387 -16.055 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.751 2.288 -16.846 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.899 -0.121 -17.045 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.256 -0.694 -16.843 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.394 0.956 -18.739 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.324 1.135 -19.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.370 -0.579 -20.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.492 -1.261 -19.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.173 -1.435 -19.065 1.00 0.00 H new ATOM 984 N MET A 64 1.816 0.021 -11.911 1.00 0.00 N ATOM 985 CA MET A 64 2.736 -0.228 -10.814 1.00 0.00 C ATOM 986 C MET A 64 2.012 -0.854 -9.621 1.00 0.00 C ATOM 987 O MET A 64 1.582 -0.147 -8.710 1.00 0.00 O ATOM 988 CB MET A 64 3.385 1.090 -10.383 1.00 0.00 C ATOM 989 CG MET A 64 4.880 0.902 -10.116 1.00 0.00 C ATOM 990 SD MET A 64 5.725 2.469 -10.250 1.00 0.00 S ATOM 991 CE MET A 64 6.519 2.530 -8.652 1.00 0.00 C ATOM 0 H MET A 64 0.914 0.408 -11.632 1.00 0.00 H new ATOM 0 HA MET A 64 3.500 -0.925 -11.157 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.242 1.841 -11.160 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.895 1.464 -9.484 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.030 0.482 -9.121 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.299 0.191 -10.829 1.00 0.00 H new ATOM 0 HE1 MET A 64 7.361 3.221 -8.690 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.804 2.871 -7.903 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.877 1.536 -8.385 1.00 0.00 H new ATOM 1001 N ASP A 65 1.897 -2.173 -9.665 1.00 0.00 N ATOM 1002 CA ASP A 65 1.231 -2.903 -8.599 1.00 0.00 C ATOM 1003 C ASP A 65 2.182 -3.037 -7.408 1.00 0.00 C ATOM 1004 O ASP A 65 3.342 -2.633 -7.486 1.00 0.00 O ATOM 1005 CB ASP A 65 0.843 -4.310 -9.055 1.00 0.00 C ATOM 1006 CG ASP A 65 -0.055 -5.080 -8.084 1.00 0.00 C ATOM 1007 OD1 ASP A 65 -0.900 -4.416 -7.446 1.00 0.00 O ATOM 1008 OD2 ASP A 65 0.126 -6.314 -8.000 1.00 0.00 O ATOM 0 H ASP A 65 2.254 -2.756 -10.422 1.00 0.00 H new ATOM 0 HA ASP A 65 0.332 -2.353 -8.323 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.334 -4.237 -10.016 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.753 -4.886 -9.219 1.00 0.00 H new ATOM 1013 N GLY A 66 1.657 -3.606 -6.334 1.00 0.00 N ATOM 1014 CA GLY A 66 2.445 -3.800 -5.128 1.00 0.00 C ATOM 1015 C GLY A 66 3.903 -4.111 -5.470 1.00 0.00 C ATOM 1016 O GLY A 66 4.808 -3.379 -5.072 1.00 0.00 O ATOM 0 H GLY A 66 0.695 -3.939 -6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.396 -2.904 -4.509 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.023 -4.616 -4.541 1.00 0.00 H new ATOM 1020 N LEU A 67 4.086 -5.199 -6.203 1.00 0.00 N ATOM 1021 CA LEU A 67 5.419 -5.616 -6.604 1.00 0.00 C ATOM 1022 C LEU A 67 6.099 -4.477 -7.365 1.00 0.00 C ATOM 1023 O LEU A 67 7.268 -4.179 -7.129 1.00 0.00 O ATOM 1024 CB LEU A 67 5.356 -6.929 -7.387 1.00 0.00 C ATOM 1025 CG LEU A 67 4.800 -8.137 -6.630 1.00 0.00 C ATOM 1026 CD1 LEU A 67 5.503 -9.426 -7.061 1.00 0.00 C ATOM 1027 CD2 LEU A 67 4.878 -7.919 -5.117 1.00 0.00 C ATOM 0 H LEU A 67 3.333 -5.805 -6.530 1.00 0.00 H new ATOM 0 HA LEU A 67 6.033 -5.823 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.745 -6.770 -8.276 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.361 -7.172 -7.731 1.00 0.00 H new ATOM 0 HG LEU A 67 3.746 -8.245 -6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.089 -10.269 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.352 -9.583 -8.129 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.570 -9.345 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.477 -8.792 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.917 -7.771 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.296 -7.038 -4.846 1.00 0.00 H new ATOM 1039 N GLY A 68 5.336 -3.871 -8.264 1.00 0.00 N ATOM 1040 CA GLY A 68 5.850 -2.771 -9.062 1.00 0.00 C ATOM 1041 C GLY A 68 6.450 -1.681 -8.171 1.00 0.00 C ATOM 1042 O GLY A 68 7.513 -1.143 -8.474 1.00 0.00 O ATOM 0 H GLY A 68 4.366 -4.121 -8.457 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.609 -3.141 -9.752 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.047 -2.350 -9.667 1.00 0.00 H new ATOM 1046 N LEU A 69 5.742 -1.389 -7.090 1.00 0.00 N ATOM 1047 CA LEU A 69 6.191 -0.372 -6.154 1.00 0.00 C ATOM 1048 C LEU A 69 7.503 -0.824 -5.508 1.00 0.00 C ATOM 1049 O LEU A 69 8.424 -0.027 -5.343 1.00 0.00 O ATOM 1050 CB LEU A 69 5.088 -0.049 -5.144 1.00 0.00 C ATOM 1051 CG LEU A 69 5.249 1.261 -4.371 1.00 0.00 C ATOM 1052 CD1 LEU A 69 6.707 1.483 -3.965 1.00 0.00 C ATOM 1053 CD2 LEU A 69 4.691 2.441 -5.171 1.00 0.00 C ATOM 0 H LEU A 69 4.861 -1.839 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 69 6.397 0.562 -6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.135 -0.021 -5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.030 -0.867 -4.426 1.00 0.00 H new ATOM 0 HG LEU A 69 4.667 1.189 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.793 2.421 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.037 0.661 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.331 1.526 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.818 3.360 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.226 2.525 -6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.631 2.279 -5.367 1.00 0.00 H new ATOM 1065 N LEU A 70 7.545 -2.103 -5.162 1.00 0.00 N ATOM 1066 CA LEU A 70 8.729 -2.670 -4.538 1.00 0.00 C ATOM 1067 C LEU A 70 9.936 -2.453 -5.453 1.00 0.00 C ATOM 1068 O LEU A 70 11.003 -2.050 -4.994 1.00 0.00 O ATOM 1069 CB LEU A 70 8.491 -4.136 -4.172 1.00 0.00 C ATOM 1070 CG LEU A 70 9.673 -5.083 -4.391 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.738 -5.550 -5.846 1.00 0.00 C ATOM 1072 CD2 LEU A 70 10.983 -4.438 -3.936 1.00 0.00 C ATOM 0 H LEU A 70 6.779 -2.762 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 70 8.945 -2.161 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.201 -4.185 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.645 -4.502 -4.754 1.00 0.00 H new ATOM 0 HG LEU A 70 9.520 -5.969 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.587 -6.222 -5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.818 -6.075 -6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.856 -4.686 -6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.807 -5.132 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.156 -3.525 -4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.920 -4.197 -2.875 1.00 0.00 H new ATOM 1084 N GLN A 71 9.727 -2.732 -6.732 1.00 0.00 N ATOM 1085 CA GLN A 71 10.784 -2.571 -7.715 1.00 0.00 C ATOM 1086 C GLN A 71 11.233 -1.109 -7.780 1.00 0.00 C ATOM 1087 O GLN A 71 12.412 -0.827 -7.979 1.00 0.00 O ATOM 1088 CB GLN A 71 10.334 -3.069 -9.090 1.00 0.00 C ATOM 1089 CG GLN A 71 10.516 -4.583 -9.213 1.00 0.00 C ATOM 1090 CD GLN A 71 10.995 -4.967 -10.614 1.00 0.00 C ATOM 1091 OE1 GLN A 71 10.217 -5.147 -11.536 1.00 0.00 O ATOM 1092 NE2 GLN A 71 12.316 -5.080 -10.721 1.00 0.00 N ATOM 0 H GLN A 71 8.841 -3.068 -7.109 1.00 0.00 H new ATOM 0 HA GLN A 71 11.636 -3.177 -7.406 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.287 -2.811 -9.249 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.908 -2.566 -9.868 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.237 -4.927 -8.472 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.573 -5.085 -8.997 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.909 -4.915 -9.908 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.736 -5.331 -11.616 1.00 0.00 H new ATOM 1101 N ALA A 72 10.266 -0.220 -7.609 1.00 0.00 N ATOM 1102 CA ALA A 72 10.546 1.206 -7.646 1.00 0.00 C ATOM 1103 C ALA A 72 11.371 1.591 -6.417 1.00 0.00 C ATOM 1104 O ALA A 72 12.344 2.334 -6.526 1.00 0.00 O ATOM 1105 CB ALA A 72 9.231 1.983 -7.732 1.00 0.00 C ATOM 0 H ALA A 72 9.288 -0.459 -7.445 1.00 0.00 H new ATOM 0 HA ALA A 72 11.132 1.459 -8.529 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.441 3.052 -7.760 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.697 1.695 -8.637 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.617 1.756 -6.860 1.00 0.00 H new ATOM 1111 N VAL A 73 10.950 1.068 -5.274 1.00 0.00 N ATOM 1112 CA VAL A 73 11.638 1.348 -4.025 1.00 0.00 C ATOM 1113 C VAL A 73 13.113 0.965 -4.163 1.00 0.00 C ATOM 1114 O VAL A 73 13.986 1.642 -3.622 1.00 0.00 O ATOM 1115 CB VAL A 73 10.939 0.627 -2.870 1.00 0.00 C ATOM 1116 CG1 VAL A 73 9.418 0.693 -3.023 1.00 0.00 C ATOM 1117 CG2 VAL A 73 11.418 -0.822 -2.758 1.00 0.00 C ATOM 0 H VAL A 73 10.141 0.452 -5.187 1.00 0.00 H new ATOM 0 HA VAL A 73 11.599 2.413 -3.798 1.00 0.00 H new ATOM 0 HB VAL A 73 11.204 1.139 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.946 0.173 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.098 1.735 -3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.126 0.218 -3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.906 -1.312 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.197 -1.351 -3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.493 -0.837 -2.579 1.00 0.00 H new ATOM 1127 N ARG A 74 13.345 -0.118 -4.890 1.00 0.00 N ATOM 1128 CA ARG A 74 14.700 -0.597 -5.107 1.00 0.00 C ATOM 1129 C ARG A 74 15.535 0.472 -5.816 1.00 0.00 C ATOM 1130 O ARG A 74 16.763 0.425 -5.784 1.00 0.00 O ATOM 1131 CB ARG A 74 14.703 -1.877 -5.944 1.00 0.00 C ATOM 1132 CG ARG A 74 14.439 -3.105 -5.071 1.00 0.00 C ATOM 1133 CD ARG A 74 15.057 -4.361 -5.690 1.00 0.00 C ATOM 1134 NE ARG A 74 16.477 -4.475 -5.291 1.00 0.00 N ATOM 1135 CZ ARG A 74 16.890 -4.677 -4.032 1.00 0.00 C ATOM 1136 NH1 ARG A 74 15.993 -4.787 -3.042 1.00 0.00 N ATOM 1137 NH2 ARG A 74 18.199 -4.769 -3.762 1.00 0.00 N ATOM 0 H ARG A 74 12.618 -0.677 -5.336 1.00 0.00 H new ATOM 0 HA ARG A 74 15.136 -0.813 -4.132 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.942 -1.809 -6.721 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.664 -1.984 -6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.853 -2.944 -4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.365 -3.246 -4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.507 -5.245 -5.366 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.978 -4.318 -6.776 1.00 0.00 H new ATOM 0 HE ARG A 74 17.186 -4.395 -6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.996 -4.717 -3.247 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.307 -4.941 -2.084 1.00 0.00 H new ATOM 0 HH21 ARG A 74 18.882 -4.685 -4.515 1.00 0.00 H new ATOM 0 HH22 ARG A 74 18.512 -4.923 -2.804 1.00 0.00 H new ATOM 1151 N ALA A 75 14.834 1.407 -6.438 1.00 0.00 N ATOM 1152 CA ALA A 75 15.495 2.485 -7.154 1.00 0.00 C ATOM 1153 C ALA A 75 15.396 3.773 -6.334 1.00 0.00 C ATOM 1154 O ALA A 75 16.180 4.701 -6.530 1.00 0.00 O ATOM 1155 CB ALA A 75 14.873 2.631 -8.545 1.00 0.00 C ATOM 0 H ALA A 75 13.815 1.441 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 75 16.553 2.262 -7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.369 3.440 -9.082 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.995 1.700 -9.098 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.811 2.858 -8.447 1.00 0.00 H new ATOM 1161 N ASN A 76 14.426 3.789 -5.431 1.00 0.00 N ATOM 1162 CA ASN A 76 14.215 4.946 -4.579 1.00 0.00 C ATOM 1163 C ASN A 76 14.045 4.485 -3.130 1.00 0.00 C ATOM 1164 O ASN A 76 13.060 3.830 -2.795 1.00 0.00 O ATOM 1165 CB ASN A 76 12.950 5.705 -4.985 1.00 0.00 C ATOM 1166 CG ASN A 76 13.152 7.216 -4.858 1.00 0.00 C ATOM 1167 OD1 ASN A 76 14.209 7.753 -5.145 1.00 0.00 O ATOM 1168 ND2 ASN A 76 12.082 7.870 -4.415 1.00 0.00 N ATOM 0 H ASN A 76 13.777 3.018 -5.271 1.00 0.00 H new ATOM 0 HA ASN A 76 15.079 5.602 -4.683 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.686 5.455 -6.013 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.116 5.392 -4.356 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.116 8.883 -4.297 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.228 7.359 -4.193 1.00 0.00 H new ATOM 1175 N PRO A 77 15.048 4.855 -2.289 1.00 0.00 N ATOM 1176 CA PRO A 77 15.019 4.485 -0.883 1.00 0.00 C ATOM 1177 C PRO A 77 14.011 5.339 -0.113 1.00 0.00 C ATOM 1178 O PRO A 77 13.779 5.113 1.074 1.00 0.00 O ATOM 1179 CB PRO A 77 16.448 4.671 -0.399 1.00 0.00 C ATOM 1180 CG PRO A 77 17.120 5.575 -1.420 1.00 0.00 C ATOM 1181 CD PRO A 77 16.231 5.630 -2.651 1.00 0.00 C ATOM 0 HA PRO A 77 14.689 3.458 -0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.469 5.120 0.594 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.963 3.713 -0.326 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.264 6.574 -1.009 1.00 0.00 H new ATOM 0 HG3 PRO A 77 18.107 5.191 -1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 77 15.969 6.657 -2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.732 5.205 -3.521 1.00 0.00 H new ATOM 1189 N ALA A 78 13.439 6.303 -0.819 1.00 0.00 N ATOM 1190 CA ALA A 78 12.460 7.193 -0.215 1.00 0.00 C ATOM 1191 C ALA A 78 11.161 6.422 0.032 1.00 0.00 C ATOM 1192 O ALA A 78 10.431 6.718 0.976 1.00 0.00 O ATOM 1193 CB ALA A 78 12.253 8.411 -1.117 1.00 0.00 C ATOM 0 H ALA A 78 13.634 6.488 -1.803 1.00 0.00 H new ATOM 0 HA ALA A 78 12.815 7.558 0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.519 9.078 -0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.199 8.940 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.893 8.084 -2.093 1.00 0.00 H new ATOM 1199 N THR A 79 10.914 5.450 -0.833 1.00 0.00 N ATOM 1200 CA THR A 79 9.716 4.634 -0.720 1.00 0.00 C ATOM 1201 C THR A 79 10.067 3.240 -0.198 1.00 0.00 C ATOM 1202 O THR A 79 9.215 2.354 -0.163 1.00 0.00 O ATOM 1203 CB THR A 79 9.026 4.616 -2.086 1.00 0.00 C ATOM 1204 OG1 THR A 79 7.800 3.930 -1.846 1.00 0.00 O ATOM 1205 CG2 THR A 79 9.757 3.732 -3.098 1.00 0.00 C ATOM 0 H THR A 79 11.522 5.209 -1.615 1.00 0.00 H new ATOM 0 HA THR A 79 9.020 5.052 0.007 1.00 0.00 H new ATOM 0 HB THR A 79 8.960 5.633 -2.474 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.146 4.553 -1.465 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.227 3.754 -4.050 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.772 4.103 -3.239 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.794 2.708 -2.727 1.00 0.00 H new ATOM 1213 N LYS A 80 11.323 3.089 0.196 1.00 0.00 N ATOM 1214 CA LYS A 80 11.797 1.817 0.715 1.00 0.00 C ATOM 1215 C LYS A 80 11.222 1.596 2.116 1.00 0.00 C ATOM 1216 O LYS A 80 11.299 0.494 2.655 1.00 0.00 O ATOM 1217 CB LYS A 80 13.325 1.752 0.661 1.00 0.00 C ATOM 1218 CG LYS A 80 13.951 2.611 1.762 1.00 0.00 C ATOM 1219 CD LYS A 80 14.473 1.739 2.906 1.00 0.00 C ATOM 1220 CE LYS A 80 16.001 1.657 2.878 1.00 0.00 C ATOM 1221 NZ LYS A 80 16.524 1.286 4.212 1.00 0.00 N ATOM 0 H LYS A 80 12.027 3.826 0.166 1.00 0.00 H new ATOM 0 HA LYS A 80 11.443 0.996 0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.652 0.718 0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.673 2.094 -0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.768 3.201 1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.211 3.315 2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.144 2.150 3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.050 0.738 2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.318 0.921 2.139 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.417 2.617 2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.562 1.235 4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.237 2.002 4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.141 0.360 4.490 1.00 0.00 H new ATOM 1235 N LYS A 81 10.659 2.663 2.664 1.00 0.00 N ATOM 1236 CA LYS A 81 10.071 2.600 3.992 1.00 0.00 C ATOM 1237 C LYS A 81 8.546 2.635 3.871 1.00 0.00 C ATOM 1238 O LYS A 81 7.843 2.736 4.876 1.00 0.00 O ATOM 1239 CB LYS A 81 10.643 3.703 4.883 1.00 0.00 C ATOM 1240 CG LYS A 81 9.987 5.051 4.579 1.00 0.00 C ATOM 1241 CD LYS A 81 8.921 5.390 5.622 1.00 0.00 C ATOM 1242 CE LYS A 81 7.779 6.196 4.997 1.00 0.00 C ATOM 1243 NZ LYS A 81 7.590 7.472 5.723 1.00 0.00 N ATOM 0 H LYS A 81 10.597 3.576 2.213 1.00 0.00 H new ATOM 0 HA LYS A 81 10.331 1.661 4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.486 3.447 5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.720 3.776 4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.746 5.833 4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.535 5.024 3.587 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.527 4.471 6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.371 5.960 6.435 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.998 6.396 3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.857 5.615 5.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.461 8.245 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.749 7.404 6.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.427 7.665 6.310 1.00 0.00 H new ATOM 1257 N ALA A 82 8.080 2.550 2.634 1.00 0.00 N ATOM 1258 CA ALA A 82 6.651 2.571 2.370 1.00 0.00 C ATOM 1259 C ALA A 82 6.152 1.138 2.175 1.00 0.00 C ATOM 1260 O ALA A 82 6.676 0.402 1.341 1.00 0.00 O ATOM 1261 CB ALA A 82 6.370 3.456 1.155 1.00 0.00 C ATOM 0 H ALA A 82 8.666 2.466 1.803 1.00 0.00 H new ATOM 0 HA ALA A 82 6.110 2.996 3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.298 3.472 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.717 4.470 1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.894 3.058 0.286 1.00 0.00 H new ATOM 1267 N ALA A 83 5.144 0.785 2.960 1.00 0.00 N ATOM 1268 CA ALA A 83 4.568 -0.547 2.885 1.00 0.00 C ATOM 1269 C ALA A 83 3.433 -0.550 1.858 1.00 0.00 C ATOM 1270 O ALA A 83 2.466 0.199 1.995 1.00 0.00 O ATOM 1271 CB ALA A 83 4.097 -0.979 4.275 1.00 0.00 C ATOM 0 H ALA A 83 4.712 1.398 3.651 1.00 0.00 H new ATOM 0 HA ALA A 83 5.314 -1.270 2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.665 -1.978 4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.945 -0.988 4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.345 -0.279 4.638 1.00 0.00 H new ATOM 1277 N PHE A 84 3.589 -1.400 0.854 1.00 0.00 N ATOM 1278 CA PHE A 84 2.590 -1.510 -0.195 1.00 0.00 C ATOM 1279 C PHE A 84 1.659 -2.698 0.056 1.00 0.00 C ATOM 1280 O PHE A 84 2.068 -3.698 0.645 1.00 0.00 O ATOM 1281 CB PHE A 84 3.342 -1.736 -1.508 1.00 0.00 C ATOM 1282 CG PHE A 84 4.866 -1.706 -1.365 1.00 0.00 C ATOM 1283 CD1 PHE A 84 5.510 -0.519 -1.207 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.574 -2.867 -1.397 1.00 0.00 C ATOM 1285 CE1 PHE A 84 6.923 -0.492 -1.074 1.00 0.00 C ATOM 1286 CE2 PHE A 84 6.987 -2.839 -1.264 1.00 0.00 C ATOM 1287 CZ PHE A 84 7.632 -1.652 -1.106 1.00 0.00 C ATOM 0 H PHE A 84 4.392 -2.019 0.745 1.00 0.00 H new ATOM 0 HA PHE A 84 1.982 -0.606 -0.225 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.045 -2.699 -1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.039 -0.972 -2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.947 0.402 -1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.062 -3.809 -1.523 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.435 0.450 -0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.550 -3.760 -1.288 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.707 -1.631 -1.006 1.00 0.00 H new ATOM 1297 N ILE A 85 0.425 -2.548 -0.401 1.00 0.00 N ATOM 1298 CA ILE A 85 -0.568 -3.596 -0.233 1.00 0.00 C ATOM 1299 C ILE A 85 -1.081 -4.032 -1.606 1.00 0.00 C ATOM 1300 O ILE A 85 -1.355 -3.195 -2.465 1.00 0.00 O ATOM 1301 CB ILE A 85 -1.673 -3.139 0.720 1.00 0.00 C ATOM 1302 CG1 ILE A 85 -1.468 -3.721 2.120 1.00 0.00 C ATOM 1303 CG2 ILE A 85 -3.056 -3.475 0.157 1.00 0.00 C ATOM 1304 CD1 ILE A 85 -1.116 -2.623 3.125 1.00 0.00 C ATOM 0 H ILE A 85 0.090 -1.717 -0.888 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.120 -4.474 0.233 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.616 -2.054 0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.374 -4.235 2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.672 -4.465 2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.824 -3.139 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.191 -2.973 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.140 -4.553 0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.976 -3.064 4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.196 -2.127 2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.925 -1.894 3.165 1.00 0.00 H new ATOM 1316 N ILE A 86 -1.196 -5.342 -1.772 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.671 -5.899 -3.026 1.00 0.00 C ATOM 1318 C ILE A 86 -2.727 -6.968 -2.738 1.00 0.00 C ATOM 1319 O ILE A 86 -2.415 -8.019 -2.181 1.00 0.00 O ATOM 1320 CB ILE A 86 -0.498 -6.406 -3.866 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -0.992 -7.204 -5.076 1.00 0.00 C ATOM 1322 CG2 ILE A 86 0.483 -7.211 -3.011 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.135 -6.474 -5.783 1.00 0.00 C ATOM 0 H ILE A 86 -0.968 -6.034 -1.058 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.153 -5.127 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 86 0.044 -5.542 -4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.169 -7.361 -5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.329 -8.189 -4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.307 -7.559 -3.633 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.873 -6.580 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.031 -8.068 -2.577 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.468 -7.061 -6.639 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.965 -6.340 -5.090 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.788 -5.499 -6.125 1.00 0.00 H new ATOM 1335 N LEU A 87 -3.955 -6.662 -3.129 1.00 0.00 N ATOM 1336 CA LEU A 87 -5.059 -7.583 -2.918 1.00 0.00 C ATOM 1337 C LEU A 87 -5.260 -8.426 -4.178 1.00 0.00 C ATOM 1338 O LEU A 87 -5.345 -7.891 -5.282 1.00 0.00 O ATOM 1339 CB LEU A 87 -6.314 -6.825 -2.478 1.00 0.00 C ATOM 1340 CG LEU A 87 -7.472 -6.807 -3.479 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -7.065 -6.110 -4.778 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.001 -8.221 -3.729 1.00 0.00 C ATOM 0 H LEU A 87 -4.210 -5.789 -3.591 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.831 -8.272 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.672 -7.264 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.034 -5.795 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.288 -6.228 -3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.906 -6.112 -5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.774 -5.082 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.224 -6.639 -5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.823 -8.181 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.201 -8.843 -4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.356 -8.648 -2.791 1.00 0.00 H new ATOM 1354 N THR A 88 -5.333 -9.733 -3.972 1.00 0.00 N ATOM 1355 CA THR A 88 -5.522 -10.657 -5.077 1.00 0.00 C ATOM 1356 C THR A 88 -6.265 -11.908 -4.605 1.00 0.00 C ATOM 1357 O THR A 88 -6.313 -12.193 -3.409 1.00 0.00 O ATOM 1358 CB THR A 88 -4.150 -10.957 -5.684 1.00 0.00 C ATOM 1359 OG1 THR A 88 -4.360 -12.141 -6.450 1.00 0.00 O ATOM 1360 CG2 THR A 88 -3.123 -11.373 -4.630 1.00 0.00 C ATOM 0 H THR A 88 -5.265 -10.174 -3.055 1.00 0.00 H new ATOM 0 HA THR A 88 -6.148 -10.220 -5.855 1.00 0.00 H new ATOM 0 HB THR A 88 -3.788 -10.077 -6.217 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.002 -12.014 -7.353 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.167 -11.574 -5.113 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.001 -10.569 -3.904 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.469 -12.272 -4.120 1.00 0.00 H new ATOM 1368 N ALA A 89 -6.826 -12.623 -5.569 1.00 0.00 N ATOM 1369 CA ALA A 89 -7.565 -13.838 -5.267 1.00 0.00 C ATOM 1370 C ALA A 89 -6.578 -14.980 -5.016 1.00 0.00 C ATOM 1371 O ALA A 89 -6.820 -16.115 -5.422 1.00 0.00 O ATOM 1372 CB ALA A 89 -8.533 -14.145 -6.411 1.00 0.00 C ATOM 0 H ALA A 89 -6.784 -12.385 -6.560 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.160 -13.711 -4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.087 -15.056 -6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.231 -13.316 -6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.972 -14.282 -7.335 1.00 0.00 H new ATOM 1378 N GLN A 90 -5.485 -14.640 -4.349 1.00 0.00 N ATOM 1379 CA GLN A 90 -4.461 -15.623 -4.039 1.00 0.00 C ATOM 1380 C GLN A 90 -4.183 -15.643 -2.534 1.00 0.00 C ATOM 1381 O GLN A 90 -4.340 -16.676 -1.885 1.00 0.00 O ATOM 1382 CB GLN A 90 -3.180 -15.347 -4.829 1.00 0.00 C ATOM 1383 CG GLN A 90 -3.309 -15.840 -6.272 1.00 0.00 C ATOM 1384 CD GLN A 90 -3.406 -14.663 -7.246 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -4.468 -14.308 -7.728 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -2.239 -14.080 -7.507 1.00 0.00 N ATOM 0 H GLN A 90 -5.286 -13.697 -4.015 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.827 -16.606 -4.335 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -2.968 -14.278 -4.824 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.337 -15.841 -4.346 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.448 -16.458 -6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.194 -16.470 -6.367 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.386 -14.428 -7.069 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.197 -13.285 -8.145 1.00 0.00 H new ATOM 1395 N GLY A 91 -3.776 -14.491 -2.024 1.00 0.00 N ATOM 1396 CA GLY A 91 -3.475 -14.363 -0.609 1.00 0.00 C ATOM 1397 C GLY A 91 -2.608 -15.528 -0.126 1.00 0.00 C ATOM 1398 O GLY A 91 -3.097 -16.429 0.556 1.00 0.00 O ATOM 0 H GLY A 91 -3.647 -13.637 -2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.958 -13.421 -0.427 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.403 -14.334 -0.037 1.00 0.00 H new ATOM 1402 N ASP A 92 -1.337 -15.472 -0.496 1.00 0.00 N ATOM 1403 CA ASP A 92 -0.399 -16.511 -0.110 1.00 0.00 C ATOM 1404 C ASP A 92 0.814 -15.871 0.568 1.00 0.00 C ATOM 1405 O ASP A 92 1.528 -15.081 -0.048 1.00 0.00 O ATOM 1406 CB ASP A 92 0.097 -17.288 -1.331 1.00 0.00 C ATOM 1407 CG ASP A 92 -0.382 -18.739 -1.414 1.00 0.00 C ATOM 1408 OD1 ASP A 92 -0.407 -19.390 -0.347 1.00 0.00 O ATOM 1409 OD2 ASP A 92 -0.714 -19.163 -2.542 1.00 0.00 O ATOM 0 H ASP A 92 -0.935 -14.723 -1.059 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.913 -17.194 0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.224 -16.764 -2.231 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.187 -17.281 -1.329 1.00 0.00 H new ATOM 1414 N ARG A 93 1.010 -16.234 1.827 1.00 0.00 N ATOM 1415 CA ARG A 93 2.124 -15.704 2.594 1.00 0.00 C ATOM 1416 C ARG A 93 3.443 -15.965 1.864 1.00 0.00 C ATOM 1417 O ARG A 93 4.413 -15.231 2.046 1.00 0.00 O ATOM 1418 CB ARG A 93 2.185 -16.337 3.986 1.00 0.00 C ATOM 1419 CG ARG A 93 2.174 -17.865 3.894 1.00 0.00 C ATOM 1420 CD ARG A 93 0.796 -18.426 4.250 1.00 0.00 C ATOM 1421 NE ARG A 93 0.944 -19.681 5.019 1.00 0.00 N ATOM 1422 CZ ARG A 93 1.123 -19.733 6.346 1.00 0.00 C ATOM 1423 NH1 ARG A 93 1.177 -18.601 7.059 1.00 0.00 N ATOM 1424 NH2 ARG A 93 1.248 -20.918 6.959 1.00 0.00 N ATOM 0 H ARG A 93 0.416 -16.889 2.335 1.00 0.00 H new ATOM 0 HA ARG A 93 1.971 -14.630 2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.087 -16.006 4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.337 -15.999 4.581 1.00 0.00 H new ATOM 0 HG2 ARG A 93 2.447 -18.174 2.885 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.924 -18.279 4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.237 -17.695 4.835 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.224 -18.612 3.341 1.00 0.00 H new ATOM 0 HE ARG A 93 0.907 -20.562 4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.082 -17.699 6.592 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.313 -18.640 8.069 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.207 -21.780 6.416 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.384 -20.958 7.969 1.00 0.00 H new ATOM 1438 N ALA A 94 3.437 -17.012 1.054 1.00 0.00 N ATOM 1439 CA ALA A 94 4.620 -17.380 0.295 1.00 0.00 C ATOM 1440 C ALA A 94 5.004 -16.226 -0.633 1.00 0.00 C ATOM 1441 O ALA A 94 6.166 -15.826 -0.685 1.00 0.00 O ATOM 1442 CB ALA A 94 4.355 -18.680 -0.468 1.00 0.00 C ATOM 0 H ALA A 94 2.630 -17.619 0.906 1.00 0.00 H new ATOM 0 HA ALA A 94 5.463 -17.561 0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.243 -18.955 -1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.116 -19.475 0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.517 -18.537 -1.150 1.00 0.00 H new ATOM 1448 N LEU A 95 4.006 -15.723 -1.344 1.00 0.00 N ATOM 1449 CA LEU A 95 4.224 -14.623 -2.267 1.00 0.00 C ATOM 1450 C LEU A 95 4.610 -13.370 -1.480 1.00 0.00 C ATOM 1451 O LEU A 95 5.430 -12.574 -1.934 1.00 0.00 O ATOM 1452 CB LEU A 95 3.003 -14.431 -3.170 1.00 0.00 C ATOM 1453 CG LEU A 95 2.987 -15.252 -4.461 1.00 0.00 C ATOM 1454 CD1 LEU A 95 1.750 -16.152 -4.522 1.00 0.00 C ATOM 1455 CD2 LEU A 95 3.098 -14.346 -5.688 1.00 0.00 C ATOM 0 H LEU A 95 3.043 -16.057 -1.299 1.00 0.00 H new ATOM 0 HA LEU A 95 5.055 -14.847 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.109 -14.676 -2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.933 -13.376 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 95 3.860 -15.904 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.762 -16.725 -5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.755 -16.835 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.851 -15.537 -4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.084 -14.955 -6.592 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.258 -13.652 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.031 -13.785 -5.643 1.00 0.00 H new ATOM 1467 N VAL A 96 3.999 -13.233 -0.312 1.00 0.00 N ATOM 1468 CA VAL A 96 4.269 -12.090 0.544 1.00 0.00 C ATOM 1469 C VAL A 96 5.746 -12.093 0.941 1.00 0.00 C ATOM 1470 O VAL A 96 6.416 -11.064 0.859 1.00 0.00 O ATOM 1471 CB VAL A 96 3.326 -12.104 1.749 1.00 0.00 C ATOM 1472 CG1 VAL A 96 3.554 -10.880 2.638 1.00 0.00 C ATOM 1473 CG2 VAL A 96 1.866 -12.193 1.301 1.00 0.00 C ATOM 0 H VAL A 96 3.318 -13.894 0.061 1.00 0.00 H new ATOM 0 HA VAL A 96 4.078 -11.159 0.010 1.00 0.00 H new ATOM 0 HB VAL A 96 3.550 -12.992 2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.871 -10.915 3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.582 -10.879 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.371 -9.973 2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.217 -12.201 2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.624 -11.332 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.716 -13.109 0.729 1.00 0.00 H new ATOM 1483 N GLN A 97 6.211 -13.260 1.362 1.00 0.00 N ATOM 1484 CA GLN A 97 7.597 -13.410 1.772 1.00 0.00 C ATOM 1485 C GLN A 97 8.519 -13.359 0.552 1.00 0.00 C ATOM 1486 O GLN A 97 9.656 -12.900 0.648 1.00 0.00 O ATOM 1487 CB GLN A 97 7.799 -14.705 2.559 1.00 0.00 C ATOM 1488 CG GLN A 97 7.733 -14.448 4.066 1.00 0.00 C ATOM 1489 CD GLN A 97 9.005 -14.935 4.762 1.00 0.00 C ATOM 1490 OE1 GLN A 97 9.299 -16.119 4.816 1.00 0.00 O ATOM 1491 NE2 GLN A 97 9.741 -13.962 5.289 1.00 0.00 N ATOM 0 H GLN A 97 5.652 -14.111 1.428 1.00 0.00 H new ATOM 0 HA GLN A 97 7.853 -12.581 2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 97 7.035 -15.429 2.276 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.764 -15.143 2.303 1.00 0.00 H new ATOM 0 HG2 GLN A 97 7.598 -13.382 4.251 1.00 0.00 H new ATOM 0 HG3 GLN A 97 6.866 -14.957 4.488 1.00 0.00 H new ATOM 0 HE21 GLN A 97 9.437 -12.992 5.208 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.610 -14.186 5.774 1.00 0.00 H new ATOM 1500 N LYS A 98 7.995 -13.838 -0.567 1.00 0.00 N ATOM 1501 CA LYS A 98 8.757 -13.854 -1.803 1.00 0.00 C ATOM 1502 C LYS A 98 9.125 -12.419 -2.189 1.00 0.00 C ATOM 1503 O LYS A 98 10.298 -12.108 -2.388 1.00 0.00 O ATOM 1504 CB LYS A 98 7.993 -14.608 -2.894 1.00 0.00 C ATOM 1505 CG LYS A 98 8.946 -15.118 -3.978 1.00 0.00 C ATOM 1506 CD LYS A 98 9.209 -16.615 -3.816 1.00 0.00 C ATOM 1507 CE LYS A 98 8.560 -17.412 -4.950 1.00 0.00 C ATOM 1508 NZ LYS A 98 9.478 -18.466 -5.435 1.00 0.00 N ATOM 0 H LYS A 98 7.051 -14.218 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 98 9.692 -14.398 -1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.456 -15.447 -2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.247 -13.951 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.520 -14.924 -4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.888 -14.572 -3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.283 -16.800 -3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.817 -16.955 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.632 -17.863 -4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.300 -16.743 -5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.022 -18.997 -6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.353 -18.029 -5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.705 -19.114 -4.654 1.00 0.00 H new ATOM 1522 N ALA A 99 8.099 -11.586 -2.284 1.00 0.00 N ATOM 1523 CA ALA A 99 8.299 -10.192 -2.643 1.00 0.00 C ATOM 1524 C ALA A 99 8.908 -9.445 -1.453 1.00 0.00 C ATOM 1525 O ALA A 99 9.884 -8.714 -1.609 1.00 0.00 O ATOM 1526 CB ALA A 99 6.969 -9.585 -3.094 1.00 0.00 C ATOM 0 H ALA A 99 7.127 -11.849 -2.119 1.00 0.00 H new ATOM 0 HA ALA A 99 8.996 -10.107 -3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.119 -8.539 -3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.594 -10.132 -3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.245 -9.650 -2.282 1.00 0.00 H new ATOM 1532 N ALA A 100 8.306 -9.656 -0.293 1.00 0.00 N ATOM 1533 CA ALA A 100 8.775 -9.013 0.922 1.00 0.00 C ATOM 1534 C ALA A 100 10.263 -9.316 1.111 1.00 0.00 C ATOM 1535 O ALA A 100 10.988 -8.526 1.714 1.00 0.00 O ATOM 1536 CB ALA A 100 7.930 -9.482 2.109 1.00 0.00 C ATOM 0 H ALA A 100 7.497 -10.264 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 100 8.664 -7.931 0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.283 -8.999 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.886 -9.218 1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.019 -10.563 2.214 1.00 0.00 H new ATOM 1542 N ALA A 101 10.673 -10.460 0.586 1.00 0.00 N ATOM 1543 CA ALA A 101 12.062 -10.876 0.689 1.00 0.00 C ATOM 1544 C ALA A 101 12.808 -10.467 -0.583 1.00 0.00 C ATOM 1545 O ALA A 101 14.032 -10.349 -0.577 1.00 0.00 O ATOM 1546 CB ALA A 101 12.125 -12.384 0.942 1.00 0.00 C ATOM 0 H ALA A 101 10.068 -11.113 0.088 1.00 0.00 H new ATOM 0 HA ALA A 101 12.549 -10.383 1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.166 -12.697 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.606 -12.619 1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.648 -12.912 0.116 1.00 0.00 H new ATOM 1552 N LEU A 102 12.039 -10.263 -1.643 1.00 0.00 N ATOM 1553 CA LEU A 102 12.612 -9.870 -2.918 1.00 0.00 C ATOM 1554 C LEU A 102 13.202 -8.464 -2.796 1.00 0.00 C ATOM 1555 O LEU A 102 14.072 -8.082 -3.577 1.00 0.00 O ATOM 1556 CB LEU A 102 11.577 -10.008 -4.036 1.00 0.00 C ATOM 1557 CG LEU A 102 12.085 -9.754 -5.457 1.00 0.00 C ATOM 1558 CD1 LEU A 102 12.771 -10.997 -6.024 1.00 0.00 C ATOM 1559 CD2 LEU A 102 10.956 -9.258 -6.362 1.00 0.00 C ATOM 0 H LEU A 102 11.024 -10.363 -1.644 1.00 0.00 H new ATOM 0 HA LEU A 102 13.431 -10.537 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.160 -11.014 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.760 -9.316 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 102 12.835 -8.964 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 102 13.123 -10.789 -7.035 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.618 -11.265 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.062 -11.824 -6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.344 -9.085 -7.366 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.166 -10.008 -6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 102 10.553 -8.327 -5.964 1.00 0.00 H new ATOM 1571 N GLY A 103 12.705 -7.732 -1.809 1.00 0.00 N ATOM 1572 CA GLY A 103 13.173 -6.377 -1.575 1.00 0.00 C ATOM 1573 C GLY A 103 12.038 -5.487 -1.061 1.00 0.00 C ATOM 1574 O GLY A 103 12.287 -4.455 -0.439 1.00 0.00 O ATOM 0 H GLY A 103 11.983 -8.052 -1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.987 -6.389 -0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.575 -5.962 -2.499 1.00 0.00 H new ATOM 1578 N ALA A 104 10.818 -5.921 -1.338 1.00 0.00 N ATOM 1579 CA ALA A 104 9.645 -5.176 -0.911 1.00 0.00 C ATOM 1580 C ALA A 104 9.789 -4.810 0.568 1.00 0.00 C ATOM 1581 O ALA A 104 10.315 -5.592 1.356 1.00 0.00 O ATOM 1582 CB ALA A 104 8.388 -6.003 -1.187 1.00 0.00 C ATOM 0 H ALA A 104 10.616 -6.778 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 104 9.554 -4.247 -1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.508 -5.445 -0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.317 -6.212 -2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.442 -6.942 -0.636 1.00 0.00 H new ATOM 1588 N ASN A 105 9.312 -3.619 0.898 1.00 0.00 N ATOM 1589 CA ASN A 105 9.381 -3.139 2.268 1.00 0.00 C ATOM 1590 C ASN A 105 8.302 -3.834 3.102 1.00 0.00 C ATOM 1591 O ASN A 105 8.536 -4.182 4.258 1.00 0.00 O ATOM 1592 CB ASN A 105 9.133 -1.631 2.336 1.00 0.00 C ATOM 1593 CG ASN A 105 9.332 -1.107 3.760 1.00 0.00 C ATOM 1594 OD1 ASN A 105 10.437 -1.017 4.267 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.202 -0.765 4.373 1.00 0.00 N ATOM 0 H ASN A 105 8.876 -2.972 0.241 1.00 0.00 H new ATOM 0 HA ASN A 105 10.377 -3.358 2.653 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.812 -1.116 1.657 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.119 -1.410 2.001 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.228 -0.402 5.326 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.309 -0.866 3.890 1.00 0.00 H new ATOM 1602 N ASN A 106 7.145 -4.014 2.483 1.00 0.00 N ATOM 1603 CA ASN A 106 6.031 -4.661 3.154 1.00 0.00 C ATOM 1604 C ASN A 106 4.902 -4.895 2.147 1.00 0.00 C ATOM 1605 O ASN A 106 4.451 -3.961 1.487 1.00 0.00 O ATOM 1606 CB ASN A 106 5.484 -3.784 4.283 1.00 0.00 C ATOM 1607 CG ASN A 106 5.825 -4.377 5.652 1.00 0.00 C ATOM 1608 OD1 ASN A 106 5.894 -5.582 5.835 1.00 0.00 O ATOM 1609 ND2 ASN A 106 6.033 -3.467 6.598 1.00 0.00 N ATOM 0 H ASN A 106 6.955 -3.723 1.524 1.00 0.00 H new ATOM 0 HA ASN A 106 6.388 -5.603 3.570 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.901 -2.780 4.203 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.403 -3.689 4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.267 -3.761 7.546 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.959 -2.474 6.376 1.00 0.00 H new ATOM 1616 N VAL A 107 4.477 -6.147 2.063 1.00 0.00 N ATOM 1617 CA VAL A 107 3.410 -6.516 1.150 1.00 0.00 C ATOM 1618 C VAL A 107 2.264 -7.151 1.940 1.00 0.00 C ATOM 1619 O VAL A 107 2.415 -8.241 2.489 1.00 0.00 O ATOM 1620 CB VAL A 107 3.955 -7.428 0.049 1.00 0.00 C ATOM 1621 CG1 VAL A 107 3.206 -7.209 -1.267 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.460 -7.224 -0.137 1.00 0.00 C ATOM 0 H VAL A 107 4.853 -6.919 2.613 1.00 0.00 H new ATOM 0 HA VAL A 107 3.011 -5.632 0.653 1.00 0.00 H new ATOM 0 HB VAL A 107 3.792 -8.460 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.614 -7.870 -2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.148 -7.428 -1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.322 -6.172 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.822 -7.884 -0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.655 -6.188 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.976 -7.455 0.795 1.00 0.00 H new ATOM 1632 N LEU A 108 1.145 -6.443 1.970 1.00 0.00 N ATOM 1633 CA LEU A 108 -0.025 -6.924 2.685 1.00 0.00 C ATOM 1634 C LEU A 108 -1.230 -6.921 1.741 1.00 0.00 C ATOM 1635 O LEU A 108 -1.300 -6.108 0.821 1.00 0.00 O ATOM 1636 CB LEU A 108 -0.244 -6.114 3.964 1.00 0.00 C ATOM 1637 CG LEU A 108 0.985 -5.387 4.515 1.00 0.00 C ATOM 1638 CD1 LEU A 108 0.574 -4.217 5.411 1.00 0.00 C ATOM 1639 CD2 LEU A 108 1.919 -6.360 5.236 1.00 0.00 C ATOM 0 H LEU A 108 1.023 -5.540 1.511 1.00 0.00 H new ATOM 0 HA LEU A 108 0.124 -7.954 3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.024 -5.376 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.621 -6.785 4.736 1.00 0.00 H new ATOM 0 HG LEU A 108 1.540 -4.970 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.466 -3.718 5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.021 -3.509 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.016 -4.590 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.784 -5.818 5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.388 -6.827 6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.251 -7.129 4.539 1.00 0.00 H new ATOM 1651 N ALA A 109 -2.148 -7.839 2.003 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.347 -7.952 1.188 1.00 0.00 C ATOM 1653 C ALA A 109 -4.456 -7.094 1.799 1.00 0.00 C ATOM 1654 O ALA A 109 -4.443 -6.816 2.997 1.00 0.00 O ATOM 1655 CB ALA A 109 -3.747 -9.424 1.071 1.00 0.00 C ATOM 0 H ALA A 109 -2.087 -8.511 2.767 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.162 -7.583 0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -4.646 -9.509 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.937 -9.985 0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.944 -9.828 2.064 1.00 0.00 H new ATOM 1661 N LYS A 110 -5.389 -6.695 0.947 1.00 0.00 N ATOM 1662 CA LYS A 110 -6.504 -5.873 1.387 1.00 0.00 C ATOM 1663 C LYS A 110 -7.789 -6.703 1.351 1.00 0.00 C ATOM 1664 O LYS A 110 -8.532 -6.661 0.374 1.00 0.00 O ATOM 1665 CB LYS A 110 -6.579 -4.587 0.563 1.00 0.00 C ATOM 1666 CG LYS A 110 -7.874 -3.826 0.853 1.00 0.00 C ATOM 1667 CD LYS A 110 -8.509 -3.311 -0.441 1.00 0.00 C ATOM 1668 CE LYS A 110 -9.077 -4.465 -1.270 1.00 0.00 C ATOM 1669 NZ LYS A 110 -9.393 -4.012 -2.643 1.00 0.00 N ATOM 0 H LYS A 110 -5.396 -6.926 -0.047 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.359 -5.554 2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.722 -3.954 0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.524 -4.827 -0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.576 -4.479 1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.666 -2.988 1.519 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.303 -2.603 -0.204 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.765 -2.770 -1.026 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.357 -5.282 -1.307 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.977 -4.854 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.885 -4.772 -3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.004 -3.172 -2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.512 -3.774 -3.141 1.00 0.00 H new ATOM 1683 N PRO A 111 -8.016 -7.458 2.460 1.00 0.00 N ATOM 1684 CA PRO A 111 -9.198 -8.296 2.565 1.00 0.00 C ATOM 1685 C PRO A 111 -10.445 -7.454 2.840 1.00 0.00 C ATOM 1686 O PRO A 111 -10.346 -6.343 3.360 1.00 0.00 O ATOM 1687 CB PRO A 111 -8.887 -9.278 3.682 1.00 0.00 C ATOM 1688 CG PRO A 111 -7.741 -8.664 4.470 1.00 0.00 C ATOM 1689 CD PRO A 111 -7.157 -7.533 3.638 1.00 0.00 C ATOM 0 HA PRO A 111 -9.421 -8.825 1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -9.758 -9.435 4.318 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -8.607 -10.251 3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -8.096 -8.288 5.430 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -6.979 -9.414 4.683 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.159 -6.593 4.190 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -6.123 -7.738 3.362 1.00 0.00 H new ATOM 1697 N PHE A 112 -11.590 -8.013 2.480 1.00 0.00 N ATOM 1698 CA PHE A 112 -12.856 -7.328 2.682 1.00 0.00 C ATOM 1699 C PHE A 112 -13.236 -7.305 4.163 1.00 0.00 C ATOM 1700 O PHE A 112 -14.150 -6.584 4.562 1.00 0.00 O ATOM 1701 CB PHE A 112 -13.917 -8.110 1.906 1.00 0.00 C ATOM 1702 CG PHE A 112 -14.887 -7.227 1.117 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -14.517 -6.722 -0.090 1.00 0.00 C ATOM 1704 CD2 PHE A 112 -16.118 -6.949 1.623 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -15.416 -5.903 -0.823 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -17.018 -6.130 0.889 1.00 0.00 C ATOM 1707 CZ PHE A 112 -16.648 -5.624 -0.318 1.00 0.00 C ATOM 0 H PHE A 112 -11.668 -8.934 2.049 1.00 0.00 H new ATOM 0 HA PHE A 112 -12.780 -6.296 2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -13.419 -8.792 1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -14.486 -8.723 2.605 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -13.539 -6.944 -0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -16.412 -7.350 2.582 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -15.122 -5.502 -1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -17.996 -5.909 1.290 1.00 0.00 H new ATOM 0 HZ PHE A 112 -17.332 -5.001 -0.875 1.00 0.00 H new ATOM 1717 N THR A 113 -12.517 -8.103 4.939 1.00 0.00 N ATOM 1718 CA THR A 113 -12.769 -8.185 6.368 1.00 0.00 C ATOM 1719 C THR A 113 -11.923 -7.154 7.117 1.00 0.00 C ATOM 1720 O THR A 113 -10.765 -6.924 6.769 1.00 0.00 O ATOM 1721 CB THR A 113 -12.507 -9.624 6.813 1.00 0.00 C ATOM 1722 OG1 THR A 113 -12.760 -10.401 5.645 1.00 0.00 O ATOM 1723 CG2 THR A 113 -13.543 -10.122 7.822 1.00 0.00 C ATOM 0 H THR A 113 -11.760 -8.699 4.605 1.00 0.00 H new ATOM 0 HA THR A 113 -13.805 -7.942 6.602 1.00 0.00 H new ATOM 0 HB THR A 113 -11.511 -9.692 7.250 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.612 -11.349 5.844 1.00 0.00 H new ATOM 0 HG21 THR A 113 -13.311 -11.149 8.105 1.00 0.00 H new ATOM 0 HG22 THR A 113 -13.522 -9.488 8.708 1.00 0.00 H new ATOM 0 HG23 THR A 113 -14.535 -10.085 7.373 1.00 0.00 H new ATOM 1731 N ILE A 114 -12.533 -6.559 8.132 1.00 0.00 N ATOM 1732 CA ILE A 114 -11.850 -5.558 8.934 1.00 0.00 C ATOM 1733 C ILE A 114 -10.830 -6.247 9.842 1.00 0.00 C ATOM 1734 O ILE A 114 -9.832 -5.643 10.231 1.00 0.00 O ATOM 1735 CB ILE A 114 -12.863 -4.694 9.689 1.00 0.00 C ATOM 1736 CG1 ILE A 114 -13.926 -5.562 10.366 1.00 0.00 C ATOM 1737 CG2 ILE A 114 -13.483 -3.643 8.766 1.00 0.00 C ATOM 1738 CD1 ILE A 114 -14.449 -4.895 11.639 1.00 0.00 C ATOM 0 H ILE A 114 -13.493 -6.751 8.417 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.295 -4.871 8.295 1.00 0.00 H new ATOM 0 HB ILE A 114 -12.335 -4.158 10.478 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -14.752 -5.736 9.676 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -13.504 -6.537 10.609 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -14.199 -3.043 9.327 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -12.699 -2.997 8.371 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -13.994 -4.139 7.941 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -15.203 -5.533 12.100 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -13.625 -4.745 12.336 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -14.893 -3.931 11.389 1.00 0.00 H new ATOM 1750 N GLU A 115 -11.116 -7.502 10.153 1.00 0.00 N ATOM 1751 CA GLU A 115 -10.236 -8.280 11.009 1.00 0.00 C ATOM 1752 C GLU A 115 -8.880 -8.486 10.330 1.00 0.00 C ATOM 1753 O GLU A 115 -7.837 -8.279 10.946 1.00 0.00 O ATOM 1754 CB GLU A 115 -10.873 -9.621 11.376 1.00 0.00 C ATOM 1755 CG GLU A 115 -10.835 -9.851 12.889 1.00 0.00 C ATOM 1756 CD GLU A 115 -11.334 -11.254 13.243 1.00 0.00 C ATOM 1757 OE1 GLU A 115 -12.295 -11.699 12.579 1.00 0.00 O ATOM 1758 OE2 GLU A 115 -10.741 -11.848 14.170 1.00 0.00 O ATOM 0 H GLU A 115 -11.945 -8.000 9.828 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.077 -7.725 11.933 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.905 -9.645 11.027 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -10.346 -10.429 10.868 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.817 -9.720 13.255 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -11.452 -9.105 13.390 1.00 0.00 H new ATOM 1765 N LYS A 116 -8.941 -8.888 9.069 1.00 0.00 N ATOM 1766 CA LYS A 116 -7.731 -9.124 8.299 1.00 0.00 C ATOM 1767 C LYS A 116 -7.133 -7.780 7.876 1.00 0.00 C ATOM 1768 O LYS A 116 -5.924 -7.575 7.978 1.00 0.00 O ATOM 1769 CB LYS A 116 -8.016 -10.067 7.129 1.00 0.00 C ATOM 1770 CG LYS A 116 -8.329 -11.480 7.628 1.00 0.00 C ATOM 1771 CD LYS A 116 -7.608 -12.531 6.782 1.00 0.00 C ATOM 1772 CE LYS A 116 -6.840 -13.515 7.667 1.00 0.00 C ATOM 1773 NZ LYS A 116 -6.701 -14.823 6.990 1.00 0.00 N ATOM 0 H LYS A 116 -9.809 -9.056 8.561 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.982 -9.629 8.909 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -8.857 -9.688 6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -7.155 -10.095 6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -8.026 -11.577 8.671 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -9.405 -11.653 7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -8.332 -13.073 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -6.919 -12.040 6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -5.854 -13.112 7.898 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -7.362 -13.644 8.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -6.177 -15.478 7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -7.644 -15.213 6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -6.183 -14.698 6.097 1.00 0.00 H new ATOM 1787 N MET A 117 -8.007 -6.901 7.407 1.00 0.00 N ATOM 1788 CA MET A 117 -7.579 -5.583 6.968 1.00 0.00 C ATOM 1789 C MET A 117 -6.973 -4.789 8.126 1.00 0.00 C ATOM 1790 O MET A 117 -5.950 -4.126 7.960 1.00 0.00 O ATOM 1791 CB MET A 117 -8.778 -4.823 6.398 1.00 0.00 C ATOM 1792 CG MET A 117 -8.325 -3.566 5.652 1.00 0.00 C ATOM 1793 SD MET A 117 -7.646 -4.011 4.062 1.00 0.00 S ATOM 1794 CE MET A 117 -6.397 -2.747 3.892 1.00 0.00 C ATOM 0 H MET A 117 -9.008 -7.075 7.321 1.00 0.00 H new ATOM 0 HA MET A 117 -6.816 -5.705 6.200 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.336 -5.471 5.722 1.00 0.00 H new ATOM 0 HB3 MET A 117 -9.456 -4.547 7.206 1.00 0.00 H new ATOM 0 HG2 MET A 117 -9.168 -2.888 5.520 1.00 0.00 H new ATOM 0 HG3 MET A 117 -7.577 -3.034 6.240 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.544 -3.149 3.345 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.810 -1.898 3.347 1.00 0.00 H new ATOM 0 HE3 MET A 117 -6.073 -2.421 4.880 1.00 0.00 H new ATOM 1804 N LYS A 118 -7.629 -4.882 9.273 1.00 0.00 N ATOM 1805 CA LYS A 118 -7.167 -4.179 10.458 1.00 0.00 C ATOM 1806 C LYS A 118 -5.871 -4.823 10.955 1.00 0.00 C ATOM 1807 O LYS A 118 -5.017 -4.147 11.526 1.00 0.00 O ATOM 1808 CB LYS A 118 -8.272 -4.127 11.515 1.00 0.00 C ATOM 1809 CG LYS A 118 -7.871 -3.224 12.683 1.00 0.00 C ATOM 1810 CD LYS A 118 -8.481 -3.722 13.995 1.00 0.00 C ATOM 1811 CE LYS A 118 -9.936 -3.270 14.131 1.00 0.00 C ATOM 1812 NZ LYS A 118 -10.857 -4.381 13.806 1.00 0.00 N ATOM 0 H LYS A 118 -8.477 -5.433 9.407 1.00 0.00 H new ATOM 0 HA LYS A 118 -6.937 -3.141 10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -9.194 -3.758 11.065 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -8.477 -5.133 11.882 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -6.785 -3.197 12.770 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -8.201 -2.204 12.488 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -8.430 -4.810 14.034 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -7.899 -3.345 14.836 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -10.121 -2.922 15.147 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.125 -2.427 13.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -11.840 -4.057 13.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -10.691 -4.695 12.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -10.688 -5.174 14.457 1.00 0.00 H new ATOM 1826 N ALA A 119 -5.766 -6.123 10.719 1.00 0.00 N ATOM 1827 CA ALA A 119 -4.589 -6.866 11.136 1.00 0.00 C ATOM 1828 C ALA A 119 -3.397 -6.451 10.270 1.00 0.00 C ATOM 1829 O ALA A 119 -2.314 -6.185 10.787 1.00 0.00 O ATOM 1830 CB ALA A 119 -4.876 -8.366 11.052 1.00 0.00 C ATOM 0 H ALA A 119 -6.476 -6.680 10.245 1.00 0.00 H new ATOM 0 HA ALA A 119 -4.339 -6.640 12.173 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -3.993 -8.923 11.365 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.712 -8.614 11.706 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -5.128 -8.631 10.025 1.00 0.00 H new ATOM 1836 N ALA A 120 -3.637 -6.410 8.968 1.00 0.00 N ATOM 1837 CA ALA A 120 -2.597 -6.032 8.026 1.00 0.00 C ATOM 1838 C ALA A 120 -2.079 -4.636 8.378 1.00 0.00 C ATOM 1839 O ALA A 120 -0.875 -4.434 8.520 1.00 0.00 O ATOM 1840 CB ALA A 120 -3.147 -6.109 6.601 1.00 0.00 C ATOM 0 H ALA A 120 -4.537 -6.632 8.543 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.754 -6.721 8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.367 -5.826 5.894 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.474 -7.128 6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.993 -5.429 6.500 1.00 0.00 H new ATOM 1846 N ILE A 121 -3.017 -3.708 8.508 1.00 0.00 N ATOM 1847 CA ILE A 121 -2.670 -2.337 8.841 1.00 0.00 C ATOM 1848 C ILE A 121 -1.996 -2.304 10.214 1.00 0.00 C ATOM 1849 O ILE A 121 -0.975 -1.642 10.392 1.00 0.00 O ATOM 1850 CB ILE A 121 -3.900 -1.433 8.737 1.00 0.00 C ATOM 1851 CG1 ILE A 121 -5.022 -1.929 9.653 1.00 0.00 C ATOM 1852 CG2 ILE A 121 -4.363 -1.299 7.285 1.00 0.00 C ATOM 1853 CD1 ILE A 121 -4.925 -1.285 11.037 1.00 0.00 C ATOM 0 H ILE A 121 -4.015 -3.879 8.389 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.951 -1.941 8.124 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.621 -0.436 9.078 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.989 -1.697 9.207 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.966 -3.013 9.748 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.239 -0.651 7.241 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -3.561 -0.867 6.686 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -4.619 -2.283 6.893 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.734 -1.654 11.668 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.967 -1.539 11.490 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.006 -0.202 10.941 1.00 0.00 H new ATOM 1865 N GLU A 122 -2.596 -3.026 11.149 1.00 0.00 N ATOM 1866 CA GLU A 122 -2.066 -3.087 12.501 1.00 0.00 C ATOM 1867 C GLU A 122 -0.614 -3.571 12.481 1.00 0.00 C ATOM 1868 O GLU A 122 0.158 -3.267 13.389 1.00 0.00 O ATOM 1869 CB GLU A 122 -2.930 -3.985 13.388 1.00 0.00 C ATOM 1870 CG GLU A 122 -4.044 -3.181 14.062 1.00 0.00 C ATOM 1871 CD GLU A 122 -3.862 -3.159 15.581 1.00 0.00 C ATOM 1872 OE1 GLU A 122 -2.868 -2.544 16.024 1.00 0.00 O ATOM 1873 OE2 GLU A 122 -4.720 -3.756 16.265 1.00 0.00 O ATOM 0 H GLU A 122 -3.443 -3.573 10.997 1.00 0.00 H new ATOM 0 HA GLU A 122 -2.088 -2.083 12.925 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -3.365 -4.784 12.788 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -2.308 -4.459 14.147 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -4.045 -2.161 13.677 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -5.012 -3.616 13.814 1.00 0.00 H new ATOM 1880 N ALA A 123 -0.287 -4.317 11.436 1.00 0.00 N ATOM 1881 CA ALA A 123 1.058 -4.845 11.286 1.00 0.00 C ATOM 1882 C ALA A 123 1.922 -3.826 10.540 1.00 0.00 C ATOM 1883 O ALA A 123 3.078 -3.608 10.896 1.00 0.00 O ATOM 1884 CB ALA A 123 1.000 -6.196 10.569 1.00 0.00 C ATOM 0 H ALA A 123 -0.930 -4.568 10.685 1.00 0.00 H new ATOM 0 HA ALA A 123 1.515 -5.013 12.261 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.009 -6.592 10.457 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.400 -6.893 11.154 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.549 -6.067 9.585 1.00 0.00 H new ATOM 1890 N VAL A 124 1.326 -3.229 9.517 1.00 0.00 N ATOM 1891 CA VAL A 124 2.027 -2.239 8.718 1.00 0.00 C ATOM 1892 C VAL A 124 2.417 -1.055 9.607 1.00 0.00 C ATOM 1893 O VAL A 124 3.446 -0.420 9.384 1.00 0.00 O ATOM 1894 CB VAL A 124 1.167 -1.829 7.521 1.00 0.00 C ATOM 1895 CG1 VAL A 124 0.303 -0.611 7.858 1.00 0.00 C ATOM 1896 CG2 VAL A 124 2.033 -1.562 6.289 1.00 0.00 C ATOM 0 H VAL A 124 0.366 -3.412 9.224 1.00 0.00 H new ATOM 0 HA VAL A 124 2.948 -2.658 8.312 1.00 0.00 H new ATOM 0 HB VAL A 124 0.500 -2.659 7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -0.298 -0.340 6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -0.354 -0.851 8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.945 0.227 8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.397 -1.272 5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.736 -0.758 6.506 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.585 -2.466 6.029 1.00 0.00 H new ATOM 1906 N PHE A 125 1.573 -0.796 10.595 1.00 0.00 N ATOM 1907 CA PHE A 125 1.816 0.299 11.519 1.00 0.00 C ATOM 1908 C PHE A 125 2.575 -0.185 12.756 1.00 0.00 C ATOM 1909 O PHE A 125 3.614 0.370 13.108 1.00 0.00 O ATOM 1910 CB PHE A 125 0.449 0.834 11.950 1.00 0.00 C ATOM 1911 CG PHE A 125 0.039 2.131 11.250 1.00 0.00 C ATOM 1912 CD1 PHE A 125 -0.547 2.085 10.023 1.00 0.00 C ATOM 1913 CD2 PHE A 125 0.259 3.329 11.853 1.00 0.00 C ATOM 1914 CE1 PHE A 125 -0.929 3.289 9.373 1.00 0.00 C ATOM 1915 CE2 PHE A 125 -0.121 4.533 11.204 1.00 0.00 C ATOM 1916 CZ PHE A 125 -0.707 4.487 9.977 1.00 0.00 C ATOM 0 H PHE A 125 0.720 -1.325 10.776 1.00 0.00 H new ATOM 0 HA PHE A 125 2.418 1.067 11.034 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -0.306 0.073 11.753 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.459 1.002 13.027 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -0.722 1.133 9.543 1.00 0.00 H new ATOM 0 HD2 PHE A 125 0.724 3.365 12.827 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -1.396 3.253 8.400 1.00 0.00 H new ATOM 0 HE2 PHE A 125 0.055 5.484 11.684 1.00 0.00 H new ATOM 0 HZ PHE A 125 -0.996 5.403 9.482 1.00 0.00 H new ATOM 1926 N GLY A 126 2.024 -1.215 13.382 1.00 0.00 N ATOM 1927 CA GLY A 126 2.637 -1.780 14.572 1.00 0.00 C ATOM 1928 C GLY A 126 4.019 -2.355 14.259 1.00 0.00 C ATOM 1929 O GLY A 126 5.021 -1.913 14.818 1.00 0.00 O ATOM 0 H GLY A 126 1.161 -1.672 13.088 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.725 -1.011 15.340 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.997 -2.564 14.978 1.00 0.00 H new ATOM 1933 N ALA A 127 4.029 -3.333 13.364 1.00 0.00 N ATOM 1934 CA ALA A 127 5.273 -3.972 12.968 1.00 0.00 C ATOM 1935 C ALA A 127 6.225 -4.010 14.165 1.00 0.00 C ATOM 1936 O ALA A 127 7.307 -3.427 14.121 1.00 0.00 O ATOM 1937 CB ALA A 127 5.871 -3.230 11.771 1.00 0.00 C ATOM 0 H ALA A 127 3.196 -3.698 12.902 1.00 0.00 H new ATOM 0 HA ALA A 127 5.093 -5.001 12.656 1.00 0.00 H new ATOM 0 HB1 ALA A 127 6.804 -3.710 11.475 1.00 0.00 H new ATOM 0 HB2 ALA A 127 5.168 -3.257 10.938 1.00 0.00 H new ATOM 0 HB3 ALA A 127 6.067 -2.194 12.046 1.00 0.00 H new ATOM 1943 N LEU A 128 5.787 -4.702 15.207 1.00 0.00 N ATOM 1944 CA LEU A 128 6.586 -4.823 16.414 1.00 0.00 C ATOM 1945 C LEU A 128 7.378 -6.131 16.367 1.00 0.00 C ATOM 1946 O LEU A 128 6.806 -7.200 16.160 1.00 0.00 O ATOM 1947 CB LEU A 128 5.705 -4.683 17.657 1.00 0.00 C ATOM 1948 CG LEU A 128 6.348 -3.989 18.860 1.00 0.00 C ATOM 1949 CD1 LEU A 128 7.461 -4.851 19.460 1.00 0.00 C ATOM 1950 CD2 LEU A 128 6.845 -2.591 18.486 1.00 0.00 C ATOM 0 H LEU A 128 4.889 -5.184 15.240 1.00 0.00 H new ATOM 0 HA LEU A 128 7.311 -4.012 16.473 1.00 0.00 H new ATOM 0 HB2 LEU A 128 4.807 -4.130 17.381 1.00 0.00 H new ATOM 0 HB3 LEU A 128 5.385 -5.678 17.965 1.00 0.00 H new ATOM 0 HG LEU A 128 5.586 -3.865 19.630 1.00 0.00 H new ATOM 0 HD11 LEU A 128 7.901 -4.335 20.313 1.00 0.00 H new ATOM 0 HD12 LEU A 128 7.046 -5.804 19.787 1.00 0.00 H new ATOM 0 HD13 LEU A 128 8.229 -5.029 18.708 1.00 0.00 H new ATOM 0 HD21 LEU A 128 7.297 -2.120 19.359 1.00 0.00 H new ATOM 0 HD22 LEU A 128 7.586 -2.669 17.691 1.00 0.00 H new ATOM 0 HD23 LEU A 128 6.006 -1.987 18.142 1.00 0.00 H new ATOM 1962 N LYS A 129 8.684 -6.003 16.561 1.00 0.00 N ATOM 1963 CA LYS A 129 9.560 -7.162 16.543 1.00 0.00 C ATOM 1964 C LYS A 129 9.089 -8.135 15.460 1.00 0.00 C ATOM 1965 O LYS A 129 9.899 -8.841 14.859 1.00 0.00 O ATOM 1966 CB LYS A 129 9.648 -7.789 17.935 1.00 0.00 C ATOM 1967 CG LYS A 129 11.082 -7.739 18.468 1.00 0.00 C ATOM 1968 CD LYS A 129 11.390 -8.966 19.328 1.00 0.00 C ATOM 1969 CE LYS A 129 11.215 -8.653 20.815 1.00 0.00 C ATOM 1970 NZ LYS A 129 10.533 -9.772 21.504 1.00 0.00 N ATOM 0 H LYS A 129 9.155 -5.115 16.731 1.00 0.00 H new ATOM 0 HA LYS A 129 10.577 -6.866 16.287 1.00 0.00 H new ATOM 0 HB2 LYS A 129 8.983 -7.261 18.619 1.00 0.00 H new ATOM 0 HB3 LYS A 129 9.307 -8.823 17.894 1.00 0.00 H new ATOM 0 HG2 LYS A 129 11.782 -7.690 17.634 1.00 0.00 H new ATOM 0 HG3 LYS A 129 11.224 -6.833 19.057 1.00 0.00 H new ATOM 0 HD2 LYS A 129 10.731 -9.787 19.046 1.00 0.00 H new ATOM 0 HD3 LYS A 129 12.411 -9.298 19.141 1.00 0.00 H new ATOM 0 HE2 LYS A 129 12.188 -8.476 21.272 1.00 0.00 H new ATOM 0 HE3 LYS A 129 10.635 -7.738 20.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 10.422 -9.543 22.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 9.596 -9.922 21.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 11.101 -10.638 21.406 1.00 0.00 H new TER 1984 LYS A 129