USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 944 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 118 MET CE :methyl -171:sc= -0.111 (180deg=-0.266) USER MOD Set 1.2: A 122 MET CE :methyl 161:sc= 0 (180deg=0) USER MOD Set 2.1: A 97 GLN : amide:sc= -0.238 K(o=1,f=-9.5!) USER MOD Set 2.2: A 110 LYS NZ :NH3+ -163:sc= 1.24 (180deg=-0.125) USER MOD Set 3.1: A 33 GLN : amide:sc= -0.512 K(o=-2.9,f=-6.5) USER MOD Set 3.2: A 35 SER OG : rot 170:sc= 0.0353 USER MOD Set 3.3: A 88 MET CE :methyl -144:sc= -2.37! (180deg=-3.47!) USER MOD Set 4.1: A 9 LYS NZ :NH3+ -113:sc= 1.18 (180deg=-0.0583) USER MOD Set 4.2: A 22 THR OG1 : rot 107:sc= 2.11 USER MOD Set 5.1: A 13 ASN : amide:sc= 1.06 K(o=3.6,f=-4.5) USER MOD Set 5.2: A 128 LYS NZ :NH3+ 178:sc= 2.51 (180deg=1.23) USER MOD Single : A 7 SER OG : rot 180:sc= -1.06 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.332 USER MOD Single : A 15 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.23) USER MOD Single : A 17 THR OG1 : rot 32:sc= 0.68 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 31:sc= 1.26 USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= 1.32 (180deg=1.11) USER MOD Single : A 29 LYS NZ :NH3+ -125:sc= -0.234 (180deg=-1.65!) USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= 2.08 (180deg=1.36) USER MOD Single : A 34 SER OG : rot -111:sc= 1.01 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.24) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.064 USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= -0.0435 (180deg=-0.343) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 79:sc= 0.545 USER MOD Single : A 60 SER OG : rot -63:sc= 1.07 USER MOD Single : A 62 LYS NZ :NH3+ 151:sc= 0.458 (180deg=0.146) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0249 X(o=-0.025,f=-0.12) USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0731) USER MOD Single : A 74 THR OG1 : rot -43:sc= -0.969! USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.86) USER MOD Single : A 83 ASN : amide:sc= -4.52! K(o=-4.5!,f=-1.4) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 165:sc= -0.0231 (180deg=-0.263) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 MET CE :methyl 153:sc= -0.868 (180deg=-2.96!) USER MOD Single : A 117 GLN : amide:sc= -1.36! X(o=-1.4!,f=-1.8) USER MOD Single : A 123 LYS NZ :NH3+ -179:sc= 2.23 (180deg=2.22) USER MOD Single : A 131 LYS NZ :NH3+ 155:sc= 1.12 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 61 N GLU A 5 13.783 -0.559 12.829 1.00 0.00 N ATOM 62 CA GLU A 5 12.854 -0.929 11.780 1.00 0.00 C ATOM 63 C GLU A 5 12.309 0.348 11.155 1.00 0.00 C ATOM 64 O GLU A 5 11.574 1.109 11.788 1.00 0.00 O ATOM 65 CB GLU A 5 11.749 -1.852 12.314 1.00 0.00 C ATOM 66 CG GLU A 5 11.174 -1.442 13.661 1.00 0.00 C ATOM 67 CD GLU A 5 10.428 -2.579 14.338 1.00 0.00 C ATOM 68 OE1 GLU A 5 9.283 -2.870 13.946 1.00 0.00 O ATOM 69 OE2 GLU A 5 10.995 -3.191 15.274 1.00 0.00 O ATOM 0 HA GLU A 5 13.364 -1.505 11.008 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.940 -1.887 11.584 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.148 -2.863 12.397 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.981 -1.102 14.310 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.498 -0.598 13.524 1.00 0.00 H new ATOM 76 N GLU A 6 12.702 0.585 9.918 1.00 0.00 N ATOM 77 CA GLU A 6 12.561 1.892 9.304 1.00 0.00 C ATOM 78 C GLU A 6 11.411 1.905 8.309 1.00 0.00 C ATOM 79 O GLU A 6 11.144 0.909 7.637 1.00 0.00 O ATOM 80 CB GLU A 6 13.879 2.271 8.620 1.00 0.00 C ATOM 81 CG GLU A 6 13.930 3.696 8.093 1.00 0.00 C ATOM 82 CD GLU A 6 15.289 4.047 7.521 1.00 0.00 C ATOM 83 OE1 GLU A 6 15.566 3.677 6.363 1.00 0.00 O ATOM 84 OE2 GLU A 6 16.096 4.688 8.232 1.00 0.00 O ATOM 0 H GLU A 6 13.126 -0.118 9.313 1.00 0.00 H new ATOM 0 HA GLU A 6 12.332 2.627 10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 6 14.695 2.130 9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.054 1.584 7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.169 3.824 7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.687 4.388 8.899 1.00 0.00 H new ATOM 91 N SER A 7 10.730 3.035 8.227 1.00 0.00 N ATOM 92 CA SER A 7 9.600 3.181 7.333 1.00 0.00 C ATOM 93 C SER A 7 10.035 3.829 6.023 1.00 0.00 C ATOM 94 O SER A 7 10.658 4.890 6.021 1.00 0.00 O ATOM 95 CB SER A 7 8.515 4.027 8.003 1.00 0.00 C ATOM 96 OG SER A 7 8.179 3.502 9.278 1.00 0.00 O ATOM 0 H SER A 7 10.944 3.869 8.774 1.00 0.00 H new ATOM 0 HA SER A 7 9.198 2.192 7.112 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.863 5.055 8.109 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.627 4.054 7.371 1.00 0.00 H new ATOM 0 HG SER A 7 7.485 4.059 9.689 1.00 0.00 H new ATOM 102 N LYS A 8 9.722 3.177 4.917 1.00 0.00 N ATOM 103 CA LYS A 8 9.952 3.746 3.602 1.00 0.00 C ATOM 104 C LYS A 8 8.613 4.018 2.944 1.00 0.00 C ATOM 105 O LYS A 8 7.844 3.101 2.666 1.00 0.00 O ATOM 106 CB LYS A 8 10.789 2.806 2.736 1.00 0.00 C ATOM 107 CG LYS A 8 12.243 2.692 3.164 1.00 0.00 C ATOM 108 CD LYS A 8 13.011 3.978 2.905 1.00 0.00 C ATOM 109 CE LYS A 8 14.494 3.802 3.184 1.00 0.00 C ATOM 110 NZ LYS A 8 15.281 5.006 2.812 1.00 0.00 N ATOM 0 H LYS A 8 9.305 2.246 4.905 1.00 0.00 H new ATOM 0 HA LYS A 8 10.507 4.678 3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.338 1.814 2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.752 3.153 1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.291 2.447 4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.717 1.871 2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.868 4.287 1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.613 4.775 3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.640 3.587 4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.867 2.941 2.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.287 4.841 3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.164 5.197 1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.944 5.824 3.359 1.00 0.00 H new ATOM 124 N LYS A 9 8.335 5.283 2.728 1.00 0.00 N ATOM 125 CA LYS A 9 7.033 5.718 2.271 1.00 0.00 C ATOM 126 C LYS A 9 7.139 6.362 0.895 1.00 0.00 C ATOM 127 O LYS A 9 7.810 7.379 0.725 1.00 0.00 O ATOM 128 CB LYS A 9 6.491 6.709 3.301 1.00 0.00 C ATOM 129 CG LYS A 9 5.065 7.182 3.102 1.00 0.00 C ATOM 130 CD LYS A 9 4.723 8.208 4.173 1.00 0.00 C ATOM 131 CE LYS A 9 3.279 8.662 4.110 1.00 0.00 C ATOM 132 NZ LYS A 9 2.328 7.570 4.461 1.00 0.00 N ATOM 0 H LYS A 9 9.004 6.041 2.864 1.00 0.00 H new ATOM 0 HA LYS A 9 6.356 4.869 2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.563 6.250 4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.142 7.583 3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.950 7.621 2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.378 6.338 3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.922 7.781 5.156 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.377 9.073 4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.134 9.500 4.791 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.058 9.025 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.773 7.310 3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.859 6.741 4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.687 7.896 5.212 1.00 0.00 H new ATOM 146 N PHE A 10 6.514 5.753 -0.097 1.00 0.00 N ATOM 147 CA PHE A 10 6.430 6.362 -1.412 1.00 0.00 C ATOM 148 C PHE A 10 4.995 6.790 -1.645 1.00 0.00 C ATOM 149 O PHE A 10 4.096 6.298 -0.969 1.00 0.00 O ATOM 150 CB PHE A 10 6.909 5.402 -2.518 1.00 0.00 C ATOM 151 CG PHE A 10 5.902 4.363 -2.940 1.00 0.00 C ATOM 152 CD1 PHE A 10 4.957 4.652 -3.914 1.00 0.00 C ATOM 153 CD2 PHE A 10 5.910 3.101 -2.376 1.00 0.00 C ATOM 154 CE1 PHE A 10 4.038 3.703 -4.312 1.00 0.00 C ATOM 155 CE2 PHE A 10 4.993 2.146 -2.772 1.00 0.00 C ATOM 156 CZ PHE A 10 4.055 2.449 -3.742 1.00 0.00 C ATOM 0 H PHE A 10 6.060 4.843 -0.018 1.00 0.00 H new ATOM 0 HA PHE A 10 7.089 7.229 -1.451 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.190 5.990 -3.392 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.809 4.894 -2.173 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.941 5.633 -4.366 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.640 2.859 -1.618 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.306 3.943 -5.069 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.009 1.163 -2.324 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.337 1.704 -4.052 1.00 0.00 H new ATOM 166 N SER A 11 4.767 7.692 -2.582 1.00 0.00 N ATOM 167 CA SER A 11 3.425 8.186 -2.820 1.00 0.00 C ATOM 168 C SER A 11 3.227 8.473 -4.303 1.00 0.00 C ATOM 169 O SER A 11 3.789 9.423 -4.847 1.00 0.00 O ATOM 170 CB SER A 11 3.159 9.439 -1.971 1.00 0.00 C ATOM 171 OG SER A 11 1.820 9.886 -2.104 1.00 0.00 O ATOM 0 H SER A 11 5.486 8.093 -3.184 1.00 0.00 H new ATOM 0 HA SER A 11 2.707 7.421 -2.524 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.368 9.220 -0.924 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.840 10.235 -2.272 1.00 0.00 H new ATOM 0 HG SER A 11 1.685 10.683 -1.550 1.00 0.00 H new ATOM 177 N ALA A 12 2.448 7.625 -4.954 1.00 0.00 N ATOM 178 CA ALA A 12 2.176 7.762 -6.372 1.00 0.00 C ATOM 179 C ALA A 12 0.741 8.222 -6.598 1.00 0.00 C ATOM 180 O ALA A 12 -0.210 7.520 -6.253 1.00 0.00 O ATOM 181 CB ALA A 12 2.436 6.446 -7.089 1.00 0.00 C ATOM 0 H ALA A 12 1.989 6.827 -4.515 1.00 0.00 H new ATOM 0 HA ALA A 12 2.846 8.517 -6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.228 6.564 -8.152 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.478 6.157 -6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.789 5.673 -6.676 1.00 0.00 H new ATOM 187 N ASN A 13 0.595 9.412 -7.156 1.00 0.00 N ATOM 188 CA ASN A 13 -0.719 9.963 -7.452 1.00 0.00 C ATOM 189 C ASN A 13 -1.106 9.592 -8.875 1.00 0.00 C ATOM 190 O ASN A 13 -0.669 10.234 -9.829 1.00 0.00 O ATOM 191 CB ASN A 13 -0.710 11.489 -7.294 1.00 0.00 C ATOM 192 CG ASN A 13 -0.093 11.941 -5.982 1.00 0.00 C ATOM 193 OD1 ASN A 13 1.126 12.107 -5.885 1.00 0.00 O ATOM 194 ND2 ASN A 13 -0.919 12.162 -4.972 1.00 0.00 N ATOM 0 H ASN A 13 1.373 10.018 -7.415 1.00 0.00 H new ATOM 0 HA ASN A 13 -1.446 9.550 -6.753 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.157 11.932 -8.122 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.732 11.862 -7.357 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.554 12.481 -4.075 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.921 12.013 -5.091 1.00 0.00 H new ATOM 201 N LEU A 14 -1.896 8.539 -9.020 1.00 0.00 N ATOM 202 CA LEU A 14 -2.233 8.023 -10.340 1.00 0.00 C ATOM 203 C LEU A 14 -3.676 7.534 -10.396 1.00 0.00 C ATOM 204 O LEU A 14 -4.217 7.074 -9.390 1.00 0.00 O ATOM 205 CB LEU A 14 -1.251 6.903 -10.737 1.00 0.00 C ATOM 206 CG LEU A 14 -0.830 5.935 -9.614 1.00 0.00 C ATOM 207 CD1 LEU A 14 -1.962 4.992 -9.234 1.00 0.00 C ATOM 208 CD2 LEU A 14 0.401 5.140 -10.030 1.00 0.00 C ATOM 0 H LEU A 14 -2.315 8.026 -8.244 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.141 8.837 -11.059 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.703 6.320 -11.540 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.352 7.365 -11.146 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.586 6.534 -8.737 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.628 4.324 -8.440 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.817 5.572 -8.886 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.253 4.403 -10.104 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.685 4.461 -9.226 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.176 4.564 -10.928 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.224 5.825 -10.235 1.00 0.00 H new ATOM 220 N ASN A 15 -4.307 7.689 -11.565 1.00 0.00 N ATOM 221 CA ASN A 15 -5.664 7.175 -11.812 1.00 0.00 C ATOM 222 C ASN A 15 -6.721 7.905 -10.964 1.00 0.00 C ATOM 223 O ASN A 15 -7.912 7.608 -11.040 1.00 0.00 O ATOM 224 CB ASN A 15 -5.696 5.655 -11.555 1.00 0.00 C ATOM 225 CG ASN A 15 -7.019 5.002 -11.915 1.00 0.00 C ATOM 226 OD1 ASN A 15 -7.260 4.659 -13.071 1.00 0.00 O ATOM 227 ND2 ASN A 15 -7.869 4.787 -10.921 1.00 0.00 N ATOM 0 H ASN A 15 -3.896 8.171 -12.364 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.917 7.366 -12.855 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.899 5.182 -12.129 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.484 5.469 -10.502 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.759 4.322 -11.102 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.633 5.086 -9.975 1.00 0.00 H new ATOM 234 N GLY A 16 -6.286 8.885 -10.184 1.00 0.00 N ATOM 235 CA GLY A 16 -7.195 9.582 -9.292 1.00 0.00 C ATOM 236 C GLY A 16 -7.087 9.057 -7.877 1.00 0.00 C ATOM 237 O GLY A 16 -7.738 9.556 -6.960 1.00 0.00 O ATOM 0 H GLY A 16 -5.320 9.211 -10.152 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.973 10.649 -9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.218 9.465 -9.648 1.00 0.00 H new ATOM 241 N THR A 17 -6.263 8.037 -7.710 1.00 0.00 N ATOM 242 CA THR A 17 -6.013 7.454 -6.408 1.00 0.00 C ATOM 243 C THR A 17 -4.614 7.810 -5.923 1.00 0.00 C ATOM 244 O THR A 17 -3.631 7.641 -6.650 1.00 0.00 O ATOM 245 CB THR A 17 -6.173 5.924 -6.451 1.00 0.00 C ATOM 246 OG1 THR A 17 -5.603 5.402 -7.659 1.00 0.00 O ATOM 247 CG2 THR A 17 -7.637 5.529 -6.366 1.00 0.00 C ATOM 0 H THR A 17 -5.751 7.592 -8.472 1.00 0.00 H new ATOM 0 HA THR A 17 -6.746 7.863 -5.713 1.00 0.00 H new ATOM 0 HB THR A 17 -5.649 5.505 -5.592 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.846 5.961 -7.932 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.723 4.443 -6.398 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.060 5.899 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.180 5.961 -7.207 1.00 0.00 H new ATOM 255 N GLU A 18 -4.527 8.322 -4.709 1.00 0.00 N ATOM 256 CA GLU A 18 -3.246 8.693 -4.136 1.00 0.00 C ATOM 257 C GLU A 18 -2.712 7.539 -3.299 1.00 0.00 C ATOM 258 O GLU A 18 -3.082 7.378 -2.135 1.00 0.00 O ATOM 259 CB GLU A 18 -3.386 9.961 -3.288 1.00 0.00 C ATOM 260 CG GLU A 18 -4.332 10.986 -3.899 1.00 0.00 C ATOM 261 CD GLU A 18 -4.240 12.353 -3.250 1.00 0.00 C ATOM 262 OE1 GLU A 18 -3.189 13.010 -3.384 1.00 0.00 O ATOM 263 OE2 GLU A 18 -5.221 12.780 -2.606 1.00 0.00 O ATOM 0 H GLU A 18 -5.328 8.490 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.540 8.904 -4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.746 9.689 -2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.403 10.414 -3.158 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.114 11.082 -4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.355 10.620 -3.815 1.00 0.00 H new ATOM 270 N ILE A 19 -1.877 6.712 -3.912 1.00 0.00 N ATOM 271 CA ILE A 19 -1.349 5.530 -3.248 1.00 0.00 C ATOM 272 C ILE A 19 -0.003 5.824 -2.605 1.00 0.00 C ATOM 273 O ILE A 19 1.005 5.979 -3.295 1.00 0.00 O ATOM 274 CB ILE A 19 -1.185 4.348 -4.231 1.00 0.00 C ATOM 275 CG1 ILE A 19 -2.520 4.020 -4.903 1.00 0.00 C ATOM 276 CG2 ILE A 19 -0.642 3.124 -3.503 1.00 0.00 C ATOM 277 CD1 ILE A 19 -2.433 2.891 -5.908 1.00 0.00 C ATOM 0 H ILE A 19 -1.550 6.839 -4.870 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.071 5.253 -2.480 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.472 4.638 -5.003 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.248 3.757 -4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.894 4.913 -5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.532 2.300 -4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.329 3.361 -3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.334 2.834 -2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.417 2.715 -6.343 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.730 3.159 -6.697 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.090 1.985 -5.409 1.00 0.00 H new ATOM 289 N ALA A 20 0.013 5.913 -1.290 1.00 0.00 N ATOM 290 CA ALA A 20 1.255 6.103 -0.570 1.00 0.00 C ATOM 291 C ALA A 20 1.497 4.931 0.365 1.00 0.00 C ATOM 292 O ALA A 20 0.824 4.780 1.385 1.00 0.00 O ATOM 293 CB ALA A 20 1.257 7.424 0.184 1.00 0.00 C ATOM 0 H ALA A 20 -0.817 5.857 -0.700 1.00 0.00 H new ATOM 0 HA ALA A 20 2.072 6.143 -1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.202 7.539 0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.135 8.246 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.435 7.436 0.900 1.00 0.00 H new ATOM 299 N ILE A 21 2.450 4.091 -0.004 1.00 0.00 N ATOM 300 CA ILE A 21 2.749 2.899 0.764 1.00 0.00 C ATOM 301 C ILE A 21 3.919 3.143 1.707 1.00 0.00 C ATOM 302 O ILE A 21 5.036 3.438 1.278 1.00 0.00 O ATOM 303 CB ILE A 21 3.055 1.690 -0.146 1.00 0.00 C ATOM 304 CG1 ILE A 21 1.834 1.359 -1.013 1.00 0.00 C ATOM 305 CG2 ILE A 21 3.465 0.482 0.688 1.00 0.00 C ATOM 306 CD1 ILE A 21 2.039 0.177 -1.937 1.00 0.00 C ATOM 0 H ILE A 21 3.030 4.215 -0.834 1.00 0.00 H new ATOM 0 HA ILE A 21 1.859 2.665 1.349 1.00 0.00 H new ATOM 0 HB ILE A 21 3.887 1.948 -0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.983 1.156 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.577 2.234 -1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.677 -0.360 0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.357 0.724 1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.655 0.217 1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.132 0.006 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.868 0.384 -2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.265 -0.711 -1.347 1.00 0.00 H new ATOM 318 N THR A 22 3.628 3.043 2.988 1.00 0.00 N ATOM 319 CA THR A 22 4.618 3.173 4.033 1.00 0.00 C ATOM 320 C THR A 22 5.050 1.786 4.500 1.00 0.00 C ATOM 321 O THR A 22 4.442 1.210 5.403 1.00 0.00 O ATOM 322 CB THR A 22 4.028 3.942 5.229 1.00 0.00 C ATOM 323 OG1 THR A 22 3.167 4.990 4.757 1.00 0.00 O ATOM 324 CG2 THR A 22 5.129 4.533 6.098 1.00 0.00 C ATOM 0 H THR A 22 2.685 2.867 3.335 1.00 0.00 H new ATOM 0 HA THR A 22 5.476 3.719 3.640 1.00 0.00 H new ATOM 0 HB THR A 22 3.453 3.241 5.835 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.233 4.744 4.920 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.683 5.070 6.935 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.763 3.731 6.478 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.731 5.221 5.505 1.00 0.00 H new ATOM 332 N TYR A 23 6.066 1.226 3.870 1.00 0.00 N ATOM 333 CA TYR A 23 6.502 -0.112 4.226 1.00 0.00 C ATOM 334 C TYR A 23 7.673 -0.064 5.198 1.00 0.00 C ATOM 335 O TYR A 23 8.690 0.583 4.948 1.00 0.00 O ATOM 336 CB TYR A 23 6.831 -0.955 2.981 1.00 0.00 C ATOM 337 CG TYR A 23 7.768 -0.306 1.983 1.00 0.00 C ATOM 338 CD1 TYR A 23 7.278 0.528 0.985 1.00 0.00 C ATOM 339 CD2 TYR A 23 9.136 -0.543 2.027 1.00 0.00 C ATOM 340 CE1 TYR A 23 8.125 1.111 0.063 1.00 0.00 C ATOM 341 CE2 TYR A 23 9.989 0.035 1.107 1.00 0.00 C ATOM 342 CZ TYR A 23 9.478 0.861 0.127 1.00 0.00 C ATOM 343 OH TYR A 23 10.324 1.439 -0.791 1.00 0.00 O ATOM 0 H TYR A 23 6.598 1.668 3.120 1.00 0.00 H new ATOM 0 HA TYR A 23 5.672 -0.605 4.732 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.272 -1.897 3.308 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.899 -1.199 2.472 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.217 0.723 0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.539 -1.189 2.793 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.729 1.760 -0.704 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.050 -0.159 1.155 1.00 0.00 H new ATOM 0 HH TYR A 23 11.246 1.162 -0.606 1.00 0.00 H new ATOM 353 N VAL A 24 7.491 -0.725 6.329 1.00 0.00 N ATOM 354 CA VAL A 24 8.513 -0.806 7.355 1.00 0.00 C ATOM 355 C VAL A 24 9.342 -2.063 7.168 1.00 0.00 C ATOM 356 O VAL A 24 8.808 -3.178 7.134 1.00 0.00 O ATOM 357 CB VAL A 24 7.899 -0.807 8.773 1.00 0.00 C ATOM 358 CG1 VAL A 24 8.970 -1.022 9.834 1.00 0.00 C ATOM 359 CG2 VAL A 24 7.161 0.493 9.028 1.00 0.00 C ATOM 0 H VAL A 24 6.630 -1.220 6.560 1.00 0.00 H new ATOM 0 HA VAL A 24 9.146 0.076 7.256 1.00 0.00 H new ATOM 0 HB VAL A 24 7.191 -1.633 8.834 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.509 -1.018 10.822 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.461 -1.981 9.666 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.707 -0.221 9.774 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.734 0.478 10.031 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.856 1.329 8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.363 0.608 8.295 1.00 0.00 H new ATOM 369 N TYR A 25 10.639 -1.878 7.032 1.00 0.00 N ATOM 370 CA TYR A 25 11.546 -2.993 6.877 1.00 0.00 C ATOM 371 C TYR A 25 12.510 -3.037 8.051 1.00 0.00 C ATOM 372 O TYR A 25 12.831 -2.004 8.644 1.00 0.00 O ATOM 373 CB TYR A 25 12.320 -2.887 5.558 1.00 0.00 C ATOM 374 CG TYR A 25 13.340 -1.765 5.523 1.00 0.00 C ATOM 375 CD1 TYR A 25 12.952 -0.448 5.315 1.00 0.00 C ATOM 376 CD2 TYR A 25 14.694 -2.029 5.701 1.00 0.00 C ATOM 377 CE1 TYR A 25 13.883 0.573 5.283 1.00 0.00 C ATOM 378 CE2 TYR A 25 15.629 -1.012 5.670 1.00 0.00 C ATOM 379 CZ TYR A 25 15.218 0.286 5.461 1.00 0.00 C ATOM 380 OH TYR A 25 16.147 1.301 5.422 1.00 0.00 O ATOM 0 H TYR A 25 11.088 -0.962 7.026 1.00 0.00 H new ATOM 0 HA TYR A 25 10.965 -3.915 6.855 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.830 -3.832 5.372 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.610 -2.743 4.744 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.906 -0.218 5.176 1.00 0.00 H new ATOM 0 HD2 TYR A 25 15.020 -3.045 5.866 1.00 0.00 H new ATOM 0 HE1 TYR A 25 13.565 1.592 5.119 1.00 0.00 H new ATOM 0 HE2 TYR A 25 16.677 -1.234 5.809 1.00 0.00 H new ATOM 0 HH TYR A 25 15.740 2.130 5.750 1.00 0.00 H new ATOM 390 N LYS A 26 12.961 -4.226 8.387 1.00 0.00 N ATOM 391 CA LYS A 26 13.924 -4.396 9.455 1.00 0.00 C ATOM 392 C LYS A 26 15.040 -5.306 8.971 1.00 0.00 C ATOM 393 O LYS A 26 14.815 -6.483 8.687 1.00 0.00 O ATOM 394 CB LYS A 26 13.243 -4.968 10.702 1.00 0.00 C ATOM 395 CG LYS A 26 14.038 -4.771 11.982 1.00 0.00 C ATOM 396 CD LYS A 26 13.209 -5.126 13.206 1.00 0.00 C ATOM 397 CE LYS A 26 13.928 -4.764 14.495 1.00 0.00 C ATOM 398 NZ LYS A 26 13.043 -4.913 15.680 1.00 0.00 N ATOM 0 H LYS A 26 12.675 -5.094 7.934 1.00 0.00 H new ATOM 0 HA LYS A 26 14.348 -3.430 9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.265 -4.500 10.817 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.070 -6.034 10.553 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.935 -5.390 11.955 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.368 -3.735 12.052 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.254 -4.603 13.163 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.989 -6.193 13.199 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.805 -5.401 14.614 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.286 -3.736 14.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.619 -4.908 16.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.366 -4.124 15.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.524 -5.812 15.615 1.00 0.00 H new ATOM 412 N GLY A 27 16.235 -4.749 8.842 1.00 0.00 N ATOM 413 CA GLY A 27 17.329 -5.494 8.260 1.00 0.00 C ATOM 414 C GLY A 27 17.288 -5.421 6.749 1.00 0.00 C ATOM 415 O GLY A 27 17.442 -4.345 6.170 1.00 0.00 O ATOM 0 H GLY A 27 16.465 -3.798 9.129 1.00 0.00 H new ATOM 0 HA2 GLY A 27 18.278 -5.097 8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.276 -6.535 8.579 1.00 0.00 H new ATOM 419 N ASP A 28 17.089 -6.559 6.105 1.00 0.00 N ATOM 420 CA ASP A 28 16.944 -6.598 4.654 1.00 0.00 C ATOM 421 C ASP A 28 15.551 -7.085 4.274 1.00 0.00 C ATOM 422 O ASP A 28 15.233 -7.243 3.093 1.00 0.00 O ATOM 423 CB ASP A 28 18.000 -7.511 4.025 1.00 0.00 C ATOM 424 CG ASP A 28 17.786 -8.973 4.359 1.00 0.00 C ATOM 425 OD1 ASP A 28 18.100 -9.378 5.500 1.00 0.00 O ATOM 426 OD2 ASP A 28 17.330 -9.729 3.478 1.00 0.00 O ATOM 0 H ASP A 28 17.024 -7.469 6.561 1.00 0.00 H new ATOM 0 HA ASP A 28 17.086 -5.587 4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.985 -7.384 2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.989 -7.206 4.368 1.00 0.00 H new ATOM 431 N LYS A 29 14.713 -7.306 5.276 1.00 0.00 N ATOM 432 CA LYS A 29 13.379 -7.827 5.038 1.00 0.00 C ATOM 433 C LYS A 29 12.321 -6.780 5.353 1.00 0.00 C ATOM 434 O LYS A 29 12.341 -6.168 6.422 1.00 0.00 O ATOM 435 CB LYS A 29 13.118 -9.064 5.897 1.00 0.00 C ATOM 436 CG LYS A 29 11.885 -9.838 5.463 1.00 0.00 C ATOM 437 CD LYS A 29 11.537 -10.942 6.443 1.00 0.00 C ATOM 438 CE LYS A 29 10.335 -11.741 5.969 1.00 0.00 C ATOM 439 NZ LYS A 29 9.156 -10.873 5.690 1.00 0.00 N ATOM 0 H LYS A 29 14.933 -7.133 6.257 1.00 0.00 H new ATOM 0 HA LYS A 29 13.319 -8.096 3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.987 -9.721 5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.002 -8.759 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.041 -9.155 5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.055 -10.269 4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.393 -11.606 6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.327 -10.510 7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.600 -12.292 5.067 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.070 -12.479 6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.339 -11.210 6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.375 -9.893 5.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.930 -10.910 4.676 1.00 0.00 H new ATOM 453 N VAL A 30 11.403 -6.576 4.420 1.00 0.00 N ATOM 454 CA VAL A 30 10.236 -5.751 4.682 1.00 0.00 C ATOM 455 C VAL A 30 9.260 -6.566 5.523 1.00 0.00 C ATOM 456 O VAL A 30 9.059 -7.757 5.265 1.00 0.00 O ATOM 457 CB VAL A 30 9.554 -5.289 3.375 1.00 0.00 C ATOM 458 CG1 VAL A 30 8.511 -4.219 3.661 1.00 0.00 C ATOM 459 CG2 VAL A 30 10.585 -4.778 2.379 1.00 0.00 C ATOM 0 H VAL A 30 11.444 -6.969 3.480 1.00 0.00 H new ATOM 0 HA VAL A 30 10.548 -4.852 5.213 1.00 0.00 H new ATOM 0 HB VAL A 30 9.050 -6.149 2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.043 -3.908 2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.751 -4.621 4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.990 -3.360 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.082 -4.458 1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.122 -3.934 2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.290 -5.575 2.144 1.00 0.00 H new ATOM 469 N LEU A 31 8.689 -5.957 6.551 1.00 0.00 N ATOM 470 CA LEU A 31 7.873 -6.709 7.494 1.00 0.00 C ATOM 471 C LEU A 31 6.436 -6.199 7.577 1.00 0.00 C ATOM 472 O LEU A 31 5.522 -6.975 7.842 1.00 0.00 O ATOM 473 CB LEU A 31 8.544 -6.711 8.868 1.00 0.00 C ATOM 474 CG LEU A 31 9.872 -7.472 8.907 1.00 0.00 C ATOM 475 CD1 LEU A 31 10.557 -7.323 10.252 1.00 0.00 C ATOM 476 CD2 LEU A 31 9.645 -8.941 8.597 1.00 0.00 C ATOM 0 H LEU A 31 8.773 -4.961 6.753 1.00 0.00 H new ATOM 0 HA LEU A 31 7.803 -7.733 7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.717 -5.681 9.179 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.862 -7.152 9.594 1.00 0.00 H new ATOM 0 HG LEU A 31 10.525 -7.042 8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.497 -7.876 10.245 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.757 -6.269 10.443 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.910 -7.717 11.036 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.597 -9.471 8.628 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.968 -9.368 9.336 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.207 -9.040 7.604 1.00 0.00 H new ATOM 488 N LYS A 32 6.224 -4.909 7.358 1.00 0.00 N ATOM 489 CA LYS A 32 4.864 -4.369 7.345 1.00 0.00 C ATOM 490 C LYS A 32 4.675 -3.403 6.184 1.00 0.00 C ATOM 491 O LYS A 32 5.416 -2.435 6.048 1.00 0.00 O ATOM 492 CB LYS A 32 4.515 -3.656 8.662 1.00 0.00 C ATOM 493 CG LYS A 32 4.287 -4.577 9.859 1.00 0.00 C ATOM 494 CD LYS A 32 5.583 -4.903 10.584 1.00 0.00 C ATOM 495 CE LYS A 32 5.320 -5.519 11.952 1.00 0.00 C ATOM 496 NZ LYS A 32 4.861 -6.932 11.877 1.00 0.00 N ATOM 0 H LYS A 32 6.960 -4.223 7.189 1.00 0.00 H new ATOM 0 HA LYS A 32 4.191 -5.218 7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.320 -2.962 8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.616 -3.059 8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.593 -4.104 10.553 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.819 -5.501 9.521 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.174 -5.592 9.981 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.174 -3.994 10.701 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.232 -5.471 12.547 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.568 -4.926 12.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.522 -7.237 12.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.088 -7.010 11.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.652 -7.539 11.581 1.00 0.00 H new ATOM 510 N GLN A 33 3.677 -3.666 5.358 1.00 0.00 N ATOM 511 CA GLN A 33 3.393 -2.824 4.205 1.00 0.00 C ATOM 512 C GLN A 33 2.117 -2.022 4.428 1.00 0.00 C ATOM 513 O GLN A 33 1.012 -2.545 4.278 1.00 0.00 O ATOM 514 CB GLN A 33 3.244 -3.688 2.953 1.00 0.00 C ATOM 515 CG GLN A 33 3.109 -2.897 1.664 1.00 0.00 C ATOM 516 CD GLN A 33 2.882 -3.788 0.457 1.00 0.00 C ATOM 517 OE1 GLN A 33 3.324 -4.931 0.422 1.00 0.00 O ATOM 518 NE2 GLN A 33 2.192 -3.266 -0.544 1.00 0.00 N ATOM 0 H GLN A 33 3.046 -4.460 5.464 1.00 0.00 H new ATOM 0 HA GLN A 33 4.224 -2.131 4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.110 -4.346 2.874 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.368 -4.327 3.068 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.279 -2.197 1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.010 -2.304 1.509 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.840 -2.311 -0.478 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.012 -3.819 -1.382 1.00 0.00 H new ATOM 527 N SER A 34 2.263 -0.764 4.808 1.00 0.00 N ATOM 528 CA SER A 34 1.113 0.105 4.983 1.00 0.00 C ATOM 529 C SER A 34 0.737 0.729 3.643 1.00 0.00 C ATOM 530 O SER A 34 1.297 1.736 3.241 1.00 0.00 O ATOM 531 CB SER A 34 1.410 1.195 6.024 1.00 0.00 C ATOM 532 OG SER A 34 0.268 1.998 6.284 1.00 0.00 O ATOM 0 H SER A 34 3.163 -0.324 5.000 1.00 0.00 H new ATOM 0 HA SER A 34 0.273 -0.486 5.348 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.747 0.731 6.951 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.225 1.826 5.668 1.00 0.00 H new ATOM 0 HG SER A 34 0.418 2.902 5.937 1.00 0.00 H new ATOM 538 N SER A 35 -0.217 0.130 2.958 1.00 0.00 N ATOM 539 CA SER A 35 -0.610 0.611 1.647 1.00 0.00 C ATOM 540 C SER A 35 -1.838 1.493 1.778 1.00 0.00 C ATOM 541 O SER A 35 -2.966 1.017 1.794 1.00 0.00 O ATOM 542 CB SER A 35 -0.900 -0.569 0.715 1.00 0.00 C ATOM 543 OG SER A 35 0.196 -1.471 0.678 1.00 0.00 O ATOM 0 H SER A 35 -0.733 -0.687 3.285 1.00 0.00 H new ATOM 0 HA SER A 35 0.205 1.195 1.220 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.795 -1.092 1.053 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.106 -0.201 -0.290 1.00 0.00 H new ATOM 0 HG SER A 35 -0.070 -2.290 0.210 1.00 0.00 H new ATOM 549 N GLU A 36 -1.601 2.783 1.907 1.00 0.00 N ATOM 550 CA GLU A 36 -2.665 3.733 2.148 1.00 0.00 C ATOM 551 C GLU A 36 -3.100 4.369 0.831 1.00 0.00 C ATOM 552 O GLU A 36 -2.372 5.180 0.249 1.00 0.00 O ATOM 553 CB GLU A 36 -2.160 4.790 3.121 1.00 0.00 C ATOM 554 CG GLU A 36 -1.667 4.225 4.444 1.00 0.00 C ATOM 555 CD GLU A 36 -0.619 5.105 5.102 1.00 0.00 C ATOM 556 OE1 GLU A 36 -0.931 6.274 5.425 1.00 0.00 O ATOM 557 OE2 GLU A 36 0.524 4.630 5.300 1.00 0.00 O ATOM 0 H GLU A 36 -0.672 3.199 1.848 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.530 3.230 2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.349 5.346 2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.962 5.502 3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.513 4.106 5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.249 3.232 4.277 1.00 0.00 H new ATOM 564 N THR A 37 -4.271 3.982 0.358 1.00 0.00 N ATOM 565 CA THR A 37 -4.766 4.446 -0.926 1.00 0.00 C ATOM 566 C THR A 37 -5.901 5.452 -0.750 1.00 0.00 C ATOM 567 O THR A 37 -7.009 5.095 -0.345 1.00 0.00 O ATOM 568 CB THR A 37 -5.255 3.263 -1.786 1.00 0.00 C ATOM 569 OG1 THR A 37 -4.199 2.304 -1.939 1.00 0.00 O ATOM 570 CG2 THR A 37 -5.720 3.736 -3.157 1.00 0.00 C ATOM 0 H THR A 37 -4.900 3.344 0.846 1.00 0.00 H new ATOM 0 HA THR A 37 -3.937 4.939 -1.435 1.00 0.00 H new ATOM 0 HB THR A 37 -6.101 2.800 -1.278 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.515 1.554 -2.485 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.059 2.881 -3.741 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.541 4.443 -3.039 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.893 4.223 -3.674 1.00 0.00 H new ATOM 578 N LYS A 38 -5.618 6.712 -1.046 1.00 0.00 N ATOM 579 CA LYS A 38 -6.628 7.752 -0.968 1.00 0.00 C ATOM 580 C LYS A 38 -7.410 7.828 -2.273 1.00 0.00 C ATOM 581 O LYS A 38 -6.953 8.407 -3.260 1.00 0.00 O ATOM 582 CB LYS A 38 -5.996 9.102 -0.625 1.00 0.00 C ATOM 583 CG LYS A 38 -7.000 10.239 -0.532 1.00 0.00 C ATOM 584 CD LYS A 38 -6.355 11.506 -0.003 1.00 0.00 C ATOM 585 CE LYS A 38 -7.271 12.707 -0.161 1.00 0.00 C ATOM 586 NZ LYS A 38 -6.656 13.948 0.377 1.00 0.00 N ATOM 0 H LYS A 38 -4.698 7.037 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.323 7.500 -0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.469 9.016 0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.251 9.348 -1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.427 10.430 -1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.822 9.948 0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.104 11.375 1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.420 11.688 -0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.507 12.847 -1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.212 12.516 0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.313 14.744 0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.454 13.824 1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.770 14.145 -0.132 1.00 0.00 H new ATOM 600 N ILE A 39 -8.578 7.210 -2.273 1.00 0.00 N ATOM 601 CA ILE A 39 -9.434 7.171 -3.444 1.00 0.00 C ATOM 602 C ILE A 39 -10.361 8.379 -3.451 1.00 0.00 C ATOM 603 O ILE A 39 -10.927 8.740 -2.421 1.00 0.00 O ATOM 604 CB ILE A 39 -10.280 5.878 -3.466 1.00 0.00 C ATOM 605 CG1 ILE A 39 -9.372 4.652 -3.326 1.00 0.00 C ATOM 606 CG2 ILE A 39 -11.103 5.795 -4.747 1.00 0.00 C ATOM 607 CD1 ILE A 39 -10.123 3.341 -3.239 1.00 0.00 C ATOM 0 H ILE A 39 -8.959 6.722 -1.462 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.798 7.190 -4.329 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.970 5.899 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.693 4.615 -4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.757 4.767 -2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.691 4.877 -4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.771 6.654 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.436 5.794 -5.609 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.412 2.520 -3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.781 3.356 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.717 3.201 -4.142 1.00 0.00 H new ATOM 619 N GLN A 40 -10.491 9.020 -4.598 1.00 0.00 N ATOM 620 CA GLN A 40 -11.398 10.147 -4.729 1.00 0.00 C ATOM 621 C GLN A 40 -12.718 9.679 -5.328 1.00 0.00 C ATOM 622 O GLN A 40 -12.745 8.733 -6.121 1.00 0.00 O ATOM 623 CB GLN A 40 -10.785 11.234 -5.619 1.00 0.00 C ATOM 624 CG GLN A 40 -9.418 11.717 -5.156 1.00 0.00 C ATOM 625 CD GLN A 40 -9.445 12.322 -3.768 1.00 0.00 C ATOM 626 OE1 GLN A 40 -9.661 13.521 -3.603 1.00 0.00 O ATOM 627 NE2 GLN A 40 -9.205 11.502 -2.759 1.00 0.00 N ATOM 0 H GLN A 40 -9.983 8.781 -5.449 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.575 10.566 -3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.698 10.850 -6.635 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.466 12.085 -5.657 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.719 10.880 -5.169 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.042 12.457 -5.862 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.030 10.513 -2.936 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.195 11.859 -1.803 1.00 0.00 H new ATOM 636 N PHE A 41 -13.809 10.326 -4.943 1.00 0.00 N ATOM 637 CA PHE A 41 -15.109 10.025 -5.525 1.00 0.00 C ATOM 638 C PHE A 41 -15.168 10.540 -6.956 1.00 0.00 C ATOM 639 O PHE A 41 -14.231 11.198 -7.415 1.00 0.00 O ATOM 640 CB PHE A 41 -16.241 10.626 -4.686 1.00 0.00 C ATOM 641 CG PHE A 41 -16.522 9.872 -3.415 1.00 0.00 C ATOM 642 CD1 PHE A 41 -15.531 9.684 -2.465 1.00 0.00 C ATOM 643 CD2 PHE A 41 -17.780 9.349 -3.171 1.00 0.00 C ATOM 644 CE1 PHE A 41 -15.789 8.990 -1.299 1.00 0.00 C ATOM 645 CE2 PHE A 41 -18.043 8.655 -2.007 1.00 0.00 C ATOM 646 CZ PHE A 41 -17.047 8.477 -1.069 1.00 0.00 C ATOM 0 H PHE A 41 -13.820 11.059 -4.234 1.00 0.00 H new ATOM 0 HA PHE A 41 -15.242 8.943 -5.533 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.988 11.657 -4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -17.149 10.657 -5.288 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -14.544 10.086 -2.639 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -18.565 9.485 -3.900 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.006 8.850 -0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -19.029 8.251 -1.831 1.00 0.00 H new ATOM 0 HZ PHE A 41 -17.253 7.937 -0.157 1.00 0.00 H new ATOM 656 N ALA A 42 -16.264 10.231 -7.652 1.00 0.00 N ATOM 657 CA ALA A 42 -16.419 10.537 -9.079 1.00 0.00 C ATOM 658 C ALA A 42 -15.504 9.655 -9.930 1.00 0.00 C ATOM 659 O ALA A 42 -15.976 8.923 -10.796 1.00 0.00 O ATOM 660 CB ALA A 42 -16.173 12.015 -9.368 1.00 0.00 C ATOM 0 H ALA A 42 -17.071 9.761 -7.243 1.00 0.00 H new ATOM 0 HA ALA A 42 -17.452 10.318 -9.349 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.297 12.203 -10.435 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.887 12.619 -8.808 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.159 12.281 -9.068 1.00 0.00 H new ATOM 666 N SER A 43 -14.203 9.709 -9.662 1.00 0.00 N ATOM 667 CA SER A 43 -13.227 8.888 -10.371 1.00 0.00 C ATOM 668 C SER A 43 -13.479 7.400 -10.125 1.00 0.00 C ATOM 669 O SER A 43 -13.314 6.573 -11.024 1.00 0.00 O ATOM 670 CB SER A 43 -11.812 9.269 -9.932 1.00 0.00 C ATOM 671 OG SER A 43 -11.561 10.639 -10.188 1.00 0.00 O ATOM 0 H SER A 43 -13.797 10.319 -8.952 1.00 0.00 H new ATOM 0 HA SER A 43 -13.332 9.073 -11.440 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.688 9.064 -8.869 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.084 8.655 -10.462 1.00 0.00 H new ATOM 0 HG SER A 43 -10.652 10.865 -9.899 1.00 0.00 H new ATOM 677 N ILE A 44 -13.885 7.069 -8.903 1.00 0.00 N ATOM 678 CA ILE A 44 -14.235 5.696 -8.554 1.00 0.00 C ATOM 679 C ILE A 44 -15.581 5.305 -9.180 1.00 0.00 C ATOM 680 O ILE A 44 -15.900 4.124 -9.325 1.00 0.00 O ATOM 681 CB ILE A 44 -14.289 5.514 -7.014 1.00 0.00 C ATOM 682 CG1 ILE A 44 -14.707 4.086 -6.637 1.00 0.00 C ATOM 683 CG2 ILE A 44 -15.228 6.533 -6.386 1.00 0.00 C ATOM 684 CD1 ILE A 44 -14.832 3.858 -5.145 1.00 0.00 C ATOM 0 H ILE A 44 -13.980 7.735 -8.136 1.00 0.00 H new ATOM 0 HA ILE A 44 -13.461 5.040 -8.952 1.00 0.00 H new ATOM 0 HB ILE A 44 -13.286 5.682 -6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.662 3.860 -7.111 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.977 3.385 -7.042 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.252 6.389 -5.306 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -14.875 7.540 -6.610 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.231 6.402 -6.792 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -15.131 2.826 -4.958 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.872 4.050 -4.666 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.584 4.533 -4.736 1.00 0.00 H new ATOM 696 N GLY A 45 -16.347 6.310 -9.584 1.00 0.00 N ATOM 697 CA GLY A 45 -17.672 6.069 -10.122 1.00 0.00 C ATOM 698 C GLY A 45 -18.746 6.252 -9.071 1.00 0.00 C ATOM 699 O GLY A 45 -19.937 6.119 -9.352 1.00 0.00 O ATOM 0 H GLY A 45 -16.073 7.292 -9.548 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.857 6.750 -10.953 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.723 5.056 -10.522 1.00 0.00 H new ATOM 703 N ALA A 46 -18.315 6.560 -7.856 1.00 0.00 N ATOM 704 CA ALA A 46 -19.225 6.747 -6.738 1.00 0.00 C ATOM 705 C ALA A 46 -19.482 8.223 -6.486 1.00 0.00 C ATOM 706 O ALA A 46 -18.548 9.028 -6.473 1.00 0.00 O ATOM 707 CB ALA A 46 -18.659 6.104 -5.485 1.00 0.00 C ATOM 0 H ALA A 46 -17.331 6.686 -7.620 1.00 0.00 H new ATOM 0 HA ALA A 46 -20.171 6.269 -6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -19.351 6.252 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.519 5.036 -5.655 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -17.700 6.561 -5.243 1.00 0.00 H new ATOM 713 N THR A 47 -20.744 8.577 -6.305 1.00 0.00 N ATOM 714 CA THR A 47 -21.102 9.937 -5.945 1.00 0.00 C ATOM 715 C THR A 47 -21.399 10.035 -4.446 1.00 0.00 C ATOM 716 O THR A 47 -21.349 11.114 -3.861 1.00 0.00 O ATOM 717 CB THR A 47 -22.317 10.440 -6.764 1.00 0.00 C ATOM 718 OG1 THR A 47 -22.526 11.842 -6.534 1.00 0.00 O ATOM 719 CG2 THR A 47 -23.582 9.671 -6.407 1.00 0.00 C ATOM 0 H THR A 47 -21.536 7.941 -6.402 1.00 0.00 H new ATOM 0 HA THR A 47 -20.250 10.575 -6.180 1.00 0.00 H new ATOM 0 HB THR A 47 -22.098 10.273 -7.819 1.00 0.00 H new ATOM 0 HG1 THR A 47 -23.295 12.148 -7.058 1.00 0.00 H new ATOM 0 HG21 THR A 47 -24.416 10.048 -6.999 1.00 0.00 H new ATOM 0 HG22 THR A 47 -23.436 8.612 -6.619 1.00 0.00 H new ATOM 0 HG23 THR A 47 -23.801 9.802 -5.347 1.00 0.00 H new ATOM 727 N THR A 48 -21.690 8.898 -3.824 1.00 0.00 N ATOM 728 CA THR A 48 -21.997 8.868 -2.401 1.00 0.00 C ATOM 729 C THR A 48 -21.220 7.748 -1.714 1.00 0.00 C ATOM 730 O THR A 48 -20.789 6.793 -2.367 1.00 0.00 O ATOM 731 CB THR A 48 -23.513 8.696 -2.150 1.00 0.00 C ATOM 732 OG1 THR A 48 -23.782 8.660 -0.743 1.00 0.00 O ATOM 733 CG2 THR A 48 -24.041 7.428 -2.802 1.00 0.00 C ATOM 0 H THR A 48 -21.719 7.987 -4.283 1.00 0.00 H new ATOM 0 HA THR A 48 -21.694 9.826 -1.977 1.00 0.00 H new ATOM 0 HB THR A 48 -24.022 9.550 -2.596 1.00 0.00 H new ATOM 0 HG1 THR A 48 -24.745 8.553 -0.597 1.00 0.00 H new ATOM 0 HG21 THR A 48 -25.109 7.336 -2.607 1.00 0.00 H new ATOM 0 HG22 THR A 48 -23.871 7.474 -3.878 1.00 0.00 H new ATOM 0 HG23 THR A 48 -23.521 6.563 -2.389 1.00 0.00 H new ATOM 741 N LYS A 49 -21.042 7.871 -0.400 1.00 0.00 N ATOM 742 CA LYS A 49 -20.247 6.917 0.368 1.00 0.00 C ATOM 743 C LYS A 49 -20.868 5.522 0.338 1.00 0.00 C ATOM 744 O LYS A 49 -20.160 4.517 0.414 1.00 0.00 O ATOM 745 CB LYS A 49 -20.080 7.400 1.813 1.00 0.00 C ATOM 746 CG LYS A 49 -21.391 7.600 2.558 1.00 0.00 C ATOM 747 CD LYS A 49 -21.149 8.024 3.998 1.00 0.00 C ATOM 748 CE LYS A 49 -22.452 8.166 4.768 1.00 0.00 C ATOM 749 NZ LYS A 49 -23.219 6.894 4.793 1.00 0.00 N ATOM 0 H LYS A 49 -21.441 8.627 0.157 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.263 6.853 -0.096 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -19.472 6.678 2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.530 8.341 1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -21.989 8.356 2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -21.966 6.674 2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -20.513 7.290 4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.612 8.972 4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -22.238 8.482 5.789 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -23.060 8.948 4.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -23.947 6.942 5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -23.674 6.745 3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -22.574 6.103 4.993 1.00 0.00 H new ATOM 763 N GLU A 50 -22.189 5.470 0.214 1.00 0.00 N ATOM 764 CA GLU A 50 -22.903 4.204 0.108 1.00 0.00 C ATOM 765 C GLU A 50 -22.480 3.464 -1.156 1.00 0.00 C ATOM 766 O GLU A 50 -22.076 2.301 -1.113 1.00 0.00 O ATOM 767 CB GLU A 50 -24.410 4.458 0.080 1.00 0.00 C ATOM 768 CG GLU A 50 -25.242 3.199 -0.092 1.00 0.00 C ATOM 769 CD GLU A 50 -26.718 3.500 -0.209 1.00 0.00 C ATOM 770 OE1 GLU A 50 -27.181 3.794 -1.329 1.00 0.00 O ATOM 771 OE2 GLU A 50 -27.423 3.451 0.822 1.00 0.00 O ATOM 0 H GLU A 50 -22.789 6.294 0.184 1.00 0.00 H new ATOM 0 HA GLU A 50 -22.659 3.589 0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.703 4.952 1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -24.638 5.146 -0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -24.910 2.666 -0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -25.075 2.536 0.757 1.00 0.00 H new ATOM 778 N ASP A 51 -22.560 4.167 -2.278 1.00 0.00 N ATOM 779 CA ASP A 51 -22.204 3.607 -3.577 1.00 0.00 C ATOM 780 C ASP A 51 -20.720 3.259 -3.612 1.00 0.00 C ATOM 781 O ASP A 51 -20.303 2.295 -4.258 1.00 0.00 O ATOM 782 CB ASP A 51 -22.544 4.612 -4.681 1.00 0.00 C ATOM 783 CG ASP A 51 -22.493 4.009 -6.068 1.00 0.00 C ATOM 784 OD1 ASP A 51 -23.488 3.373 -6.475 1.00 0.00 O ATOM 785 OD2 ASP A 51 -21.476 4.191 -6.766 1.00 0.00 O ATOM 0 H ASP A 51 -22.872 5.137 -2.315 1.00 0.00 H new ATOM 0 HA ASP A 51 -22.775 2.693 -3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -23.541 5.015 -4.503 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -21.848 5.449 -4.629 1.00 0.00 H new ATOM 790 N ALA A 52 -19.930 4.046 -2.889 1.00 0.00 N ATOM 791 CA ALA A 52 -18.499 3.811 -2.781 1.00 0.00 C ATOM 792 C ALA A 52 -18.217 2.500 -2.059 1.00 0.00 C ATOM 793 O ALA A 52 -17.426 1.685 -2.531 1.00 0.00 O ATOM 794 CB ALA A 52 -17.824 4.967 -2.059 1.00 0.00 C ATOM 0 H ALA A 52 -20.262 4.857 -2.367 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.090 3.741 -3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.753 4.775 -1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.991 5.890 -2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -18.244 5.065 -1.058 1.00 0.00 H new ATOM 800 N ALA A 53 -18.874 2.293 -0.920 1.00 0.00 N ATOM 801 CA ALA A 53 -18.670 1.079 -0.138 1.00 0.00 C ATOM 802 C ALA A 53 -19.073 -0.159 -0.926 1.00 0.00 C ATOM 803 O ALA A 53 -18.386 -1.171 -0.881 1.00 0.00 O ATOM 804 CB ALA A 53 -19.429 1.137 1.177 1.00 0.00 C ATOM 0 H ALA A 53 -19.548 2.947 -0.521 1.00 0.00 H new ATOM 0 HA ALA A 53 -17.605 1.012 0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.257 0.218 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.080 1.989 1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -20.495 1.246 0.977 1.00 0.00 H new ATOM 810 N LYS A 54 -20.169 -0.066 -1.673 1.00 0.00 N ATOM 811 CA LYS A 54 -20.632 -1.188 -2.493 1.00 0.00 C ATOM 812 C LYS A 54 -19.597 -1.559 -3.558 1.00 0.00 C ATOM 813 O LYS A 54 -19.639 -2.648 -4.133 1.00 0.00 O ATOM 814 CB LYS A 54 -21.973 -0.859 -3.157 1.00 0.00 C ATOM 815 CG LYS A 54 -23.120 -0.694 -2.172 1.00 0.00 C ATOM 816 CD LYS A 54 -24.453 -0.537 -2.888 1.00 0.00 C ATOM 817 CE LYS A 54 -25.608 -0.432 -1.904 1.00 0.00 C ATOM 818 NZ LYS A 54 -26.924 -0.374 -2.596 1.00 0.00 N ATOM 0 H LYS A 54 -20.753 0.769 -1.730 1.00 0.00 H new ATOM 0 HA LYS A 54 -20.768 -2.044 -1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -21.867 0.060 -3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -22.223 -1.651 -3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -23.161 -1.560 -1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -22.939 0.178 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -24.427 0.354 -3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -24.614 -1.388 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -25.590 -1.289 -1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -25.481 0.459 -1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -27.685 -0.303 -1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -26.952 0.458 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -27.057 -1.236 -3.162 1.00 0.00 H new ATOM 832 N THR A 55 -18.672 -0.647 -3.812 1.00 0.00 N ATOM 833 CA THR A 55 -17.599 -0.881 -4.761 1.00 0.00 C ATOM 834 C THR A 55 -16.325 -1.337 -4.038 1.00 0.00 C ATOM 835 O THR A 55 -15.578 -2.177 -4.539 1.00 0.00 O ATOM 836 CB THR A 55 -17.309 0.403 -5.566 1.00 0.00 C ATOM 837 OG1 THR A 55 -18.522 0.883 -6.165 1.00 0.00 O ATOM 838 CG2 THR A 55 -16.270 0.158 -6.652 1.00 0.00 C ATOM 0 H THR A 55 -18.645 0.271 -3.368 1.00 0.00 H new ATOM 0 HA THR A 55 -17.915 -1.669 -5.444 1.00 0.00 H new ATOM 0 HB THR A 55 -16.912 1.149 -4.877 1.00 0.00 H new ATOM 0 HG1 THR A 55 -19.058 1.350 -5.490 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.090 1.083 -7.199 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.340 -0.180 -6.196 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.635 -0.605 -7.340 1.00 0.00 H new ATOM 846 N LEU A 56 -16.106 -0.797 -2.843 1.00 0.00 N ATOM 847 CA LEU A 56 -14.872 -1.038 -2.100 1.00 0.00 C ATOM 848 C LEU A 56 -14.913 -2.340 -1.303 1.00 0.00 C ATOM 849 O LEU A 56 -13.944 -3.097 -1.318 1.00 0.00 O ATOM 850 CB LEU A 56 -14.583 0.132 -1.157 1.00 0.00 C ATOM 851 CG LEU A 56 -14.305 1.468 -1.848 1.00 0.00 C ATOM 852 CD1 LEU A 56 -14.041 2.555 -0.818 1.00 0.00 C ATOM 853 CD2 LEU A 56 -13.128 1.337 -2.803 1.00 0.00 C ATOM 0 H LEU A 56 -16.770 -0.187 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.073 -1.128 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -15.434 0.257 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.724 -0.125 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 56 -15.186 1.750 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.845 3.499 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -14.913 2.665 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.175 2.282 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.943 2.296 -3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.241 1.034 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.356 0.587 -3.560 1.00 0.00 H new ATOM 865 N GLU A 57 -16.033 -2.599 -0.622 1.00 0.00 N ATOM 866 CA GLU A 57 -16.150 -3.762 0.265 1.00 0.00 C ATOM 867 C GLU A 57 -15.681 -5.057 -0.414 1.00 0.00 C ATOM 868 O GLU A 57 -14.825 -5.749 0.131 1.00 0.00 O ATOM 869 CB GLU A 57 -17.580 -3.930 0.788 1.00 0.00 C ATOM 870 CG GLU A 57 -18.043 -2.793 1.675 1.00 0.00 C ATOM 871 CD GLU A 57 -19.390 -3.069 2.306 1.00 0.00 C ATOM 872 OE1 GLU A 57 -20.403 -3.054 1.583 1.00 0.00 O ATOM 873 OE2 GLU A 57 -19.444 -3.302 3.532 1.00 0.00 O ATOM 0 H GLU A 57 -16.872 -2.020 -0.667 1.00 0.00 H new ATOM 0 HA GLU A 57 -15.491 -3.569 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -18.259 -4.017 -0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.646 -4.864 1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.305 -2.623 2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -18.100 -1.877 1.087 1.00 0.00 H new ATOM 880 N PRO A 58 -16.236 -5.411 -1.601 1.00 0.00 N ATOM 881 CA PRO A 58 -15.786 -6.575 -2.377 1.00 0.00 C ATOM 882 C PRO A 58 -14.261 -6.703 -2.458 1.00 0.00 C ATOM 883 O PRO A 58 -13.714 -7.805 -2.375 1.00 0.00 O ATOM 884 CB PRO A 58 -16.349 -6.303 -3.770 1.00 0.00 C ATOM 885 CG PRO A 58 -17.573 -5.484 -3.548 1.00 0.00 C ATOM 886 CD PRO A 58 -17.379 -4.738 -2.254 1.00 0.00 C ATOM 0 HA PRO A 58 -16.122 -7.505 -1.918 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -15.627 -5.771 -4.389 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -16.587 -7.233 -4.286 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -17.726 -4.789 -4.374 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.457 -6.119 -3.497 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -17.168 -3.684 -2.432 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.273 -4.784 -1.633 1.00 0.00 H new ATOM 894 N LEU A 59 -13.580 -5.574 -2.612 1.00 0.00 N ATOM 895 CA LEU A 59 -12.133 -5.570 -2.783 1.00 0.00 C ATOM 896 C LEU A 59 -11.417 -5.650 -1.440 1.00 0.00 C ATOM 897 O LEU A 59 -10.496 -6.446 -1.268 1.00 0.00 O ATOM 898 CB LEU A 59 -11.689 -4.319 -3.544 1.00 0.00 C ATOM 899 CG LEU A 59 -12.271 -4.177 -4.952 1.00 0.00 C ATOM 900 CD1 LEU A 59 -11.742 -2.919 -5.620 1.00 0.00 C ATOM 901 CD2 LEU A 59 -11.947 -5.403 -5.795 1.00 0.00 C ATOM 0 H LEU A 59 -14.008 -4.648 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.863 -6.452 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.967 -3.440 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.601 -4.323 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 59 -13.355 -4.096 -4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -12.166 -2.833 -6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.025 -2.047 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.656 -2.973 -5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -12.370 -5.281 -6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -10.866 -5.517 -5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -12.373 -6.290 -5.326 1.00 0.00 H new ATOM 913 N SER A 60 -11.846 -4.837 -0.485 1.00 0.00 N ATOM 914 CA SER A 60 -11.232 -4.823 0.836 1.00 0.00 C ATOM 915 C SER A 60 -11.452 -6.161 1.549 1.00 0.00 C ATOM 916 O SER A 60 -10.647 -6.577 2.384 1.00 0.00 O ATOM 917 CB SER A 60 -11.819 -3.684 1.665 1.00 0.00 C ATOM 918 OG SER A 60 -11.981 -2.515 0.878 1.00 0.00 O ATOM 0 H SER A 60 -12.617 -4.179 -0.600 1.00 0.00 H new ATOM 0 HA SER A 60 -10.159 -4.669 0.721 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.782 -3.987 2.076 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.165 -3.470 2.510 1.00 0.00 H new ATOM 0 HG SER A 60 -11.104 -2.203 0.571 1.00 0.00 H new ATOM 924 N ALA A 61 -12.543 -6.838 1.202 1.00 0.00 N ATOM 925 CA ALA A 61 -12.872 -8.130 1.793 1.00 0.00 C ATOM 926 C ALA A 61 -11.989 -9.239 1.235 1.00 0.00 C ATOM 927 O ALA A 61 -12.018 -10.368 1.724 1.00 0.00 O ATOM 928 CB ALA A 61 -14.338 -8.461 1.567 1.00 0.00 C ATOM 0 H ALA A 61 -13.217 -6.510 0.510 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.686 -8.060 2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.566 -9.428 2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.960 -7.693 2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.542 -8.499 0.497 1.00 0.00 H new ATOM 934 N LYS A 62 -11.208 -8.920 0.209 1.00 0.00 N ATOM 935 CA LYS A 62 -10.268 -9.880 -0.353 1.00 0.00 C ATOM 936 C LYS A 62 -9.136 -10.157 0.628 1.00 0.00 C ATOM 937 O LYS A 62 -8.620 -11.272 0.700 1.00 0.00 O ATOM 938 CB LYS A 62 -9.681 -9.376 -1.671 1.00 0.00 C ATOM 939 CG LYS A 62 -10.591 -9.541 -2.876 1.00 0.00 C ATOM 940 CD LYS A 62 -9.805 -9.344 -4.164 1.00 0.00 C ATOM 941 CE LYS A 62 -10.645 -9.615 -5.400 1.00 0.00 C ATOM 942 NZ LYS A 62 -9.808 -9.661 -6.630 1.00 0.00 N ATOM 0 H LYS A 62 -11.207 -8.008 -0.248 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.818 -10.801 -0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.433 -8.320 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.747 -9.905 -1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.042 -10.533 -2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.406 -8.819 -2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.425 -8.323 -4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.939 -10.006 -4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.172 -10.562 -5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.403 -8.838 -5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.250 -10.293 -7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.728 -8.705 -7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.860 -10.017 -6.392 1.00 0.00 H new ATOM 956 N TYR A 63 -8.753 -9.130 1.380 1.00 0.00 N ATOM 957 CA TYR A 63 -7.689 -9.259 2.365 1.00 0.00 C ATOM 958 C TYR A 63 -8.122 -10.188 3.484 1.00 0.00 C ATOM 959 O TYR A 63 -7.380 -11.090 3.862 1.00 0.00 O ATOM 960 CB TYR A 63 -7.296 -7.884 2.903 1.00 0.00 C ATOM 961 CG TYR A 63 -6.600 -7.043 1.862 1.00 0.00 C ATOM 962 CD1 TYR A 63 -7.322 -6.269 0.962 1.00 0.00 C ATOM 963 CD2 TYR A 63 -5.217 -7.054 1.757 1.00 0.00 C ATOM 964 CE1 TYR A 63 -6.680 -5.529 -0.013 1.00 0.00 C ATOM 965 CE2 TYR A 63 -4.569 -6.314 0.792 1.00 0.00 C ATOM 966 CZ TYR A 63 -5.302 -5.554 -0.093 1.00 0.00 C ATOM 967 OH TYR A 63 -4.655 -4.824 -1.064 1.00 0.00 O ATOM 0 H TYR A 63 -9.165 -8.199 1.325 1.00 0.00 H new ATOM 0 HA TYR A 63 -6.811 -9.694 1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.188 -7.363 3.251 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.641 -8.007 3.766 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.400 -6.245 1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.638 -7.653 2.444 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.253 -4.934 -0.709 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.491 -6.330 0.730 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.687 -4.952 -0.979 1.00 0.00 H new ATOM 977 N LYS A 64 -9.322 -9.944 4.002 1.00 0.00 N ATOM 978 CA LYS A 64 -10.007 -10.866 4.908 1.00 0.00 C ATOM 979 C LYS A 64 -9.110 -11.343 6.053 1.00 0.00 C ATOM 980 O LYS A 64 -9.016 -10.685 7.089 1.00 0.00 O ATOM 981 CB LYS A 64 -10.547 -12.047 4.100 1.00 0.00 C ATOM 982 CG LYS A 64 -11.609 -12.863 4.810 1.00 0.00 C ATOM 983 CD LYS A 64 -12.294 -13.798 3.833 1.00 0.00 C ATOM 984 CE LYS A 64 -13.365 -14.634 4.501 1.00 0.00 C ATOM 985 NZ LYS A 64 -14.094 -15.473 3.519 1.00 0.00 N ATOM 0 H LYS A 64 -9.852 -9.095 3.805 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.833 -10.332 5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.961 -11.671 3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.716 -12.703 3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.156 -13.438 5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.344 -12.199 5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.740 -13.216 3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.552 -14.455 3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.910 -15.272 5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.069 -13.980 5.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.820 -16.032 4.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.549 -14.862 2.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.425 -16.114 3.046 1.00 0.00 H new ATOM 999 N ASN A 65 -8.448 -12.481 5.864 1.00 0.00 N ATOM 1000 CA ASN A 65 -7.541 -13.007 6.872 1.00 0.00 C ATOM 1001 C ASN A 65 -6.390 -13.755 6.206 1.00 0.00 C ATOM 1002 O ASN A 65 -5.994 -14.835 6.643 1.00 0.00 O ATOM 1003 CB ASN A 65 -8.285 -13.925 7.848 1.00 0.00 C ATOM 1004 CG ASN A 65 -7.529 -14.113 9.154 1.00 0.00 C ATOM 1005 OD1 ASN A 65 -6.731 -15.039 9.306 1.00 0.00 O ATOM 1006 ND2 ASN A 65 -7.778 -13.229 10.106 1.00 0.00 N ATOM 0 H ASN A 65 -8.524 -13.053 5.023 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.133 -12.170 7.439 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.270 -13.507 8.058 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.444 -14.896 7.380 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.302 -13.300 11.005 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.446 -12.476 9.941 1.00 0.00 H new ATOM 1013 N ILE A 66 -5.864 -13.174 5.130 1.00 0.00 N ATOM 1014 CA ILE A 66 -4.676 -13.722 4.469 1.00 0.00 C ATOM 1015 C ILE A 66 -3.523 -13.806 5.463 1.00 0.00 C ATOM 1016 O ILE A 66 -2.799 -14.801 5.532 1.00 0.00 O ATOM 1017 CB ILE A 66 -4.223 -12.842 3.282 1.00 0.00 C ATOM 1018 CG1 ILE A 66 -5.368 -12.631 2.295 1.00 0.00 C ATOM 1019 CG2 ILE A 66 -3.025 -13.467 2.579 1.00 0.00 C ATOM 1020 CD1 ILE A 66 -5.008 -11.723 1.140 1.00 0.00 C ATOM 0 H ILE A 66 -6.237 -12.329 4.697 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.942 -14.711 4.096 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.926 -11.870 3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.682 -13.598 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.222 -12.210 2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.720 -12.833 1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.199 -13.562 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.297 -14.453 2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.868 -11.618 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.722 -10.743 1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.174 -12.153 0.585 1.00 0.00 H new ATOM 1032 N ALA A 67 -3.390 -12.744 6.237 1.00 0.00 N ATOM 1033 CA ALA A 67 -2.327 -12.594 7.210 1.00 0.00 C ATOM 1034 C ALA A 67 -2.709 -11.475 8.161 1.00 0.00 C ATOM 1035 O ALA A 67 -3.896 -11.239 8.392 1.00 0.00 O ATOM 1036 CB ALA A 67 -1.017 -12.270 6.506 1.00 0.00 C ATOM 0 H ALA A 67 -4.029 -11.949 6.205 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.190 -13.522 7.766 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.224 -12.159 7.246 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.763 -13.078 5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.124 -11.340 5.947 1.00 0.00 H new ATOM 1042 N GLY A 68 -1.719 -10.772 8.691 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.998 -9.579 9.464 1.00 0.00 C ATOM 1044 C GLY A 68 -2.363 -8.419 8.558 1.00 0.00 C ATOM 1045 O GLY A 68 -1.750 -7.354 8.616 1.00 0.00 O ATOM 0 H GLY A 68 -0.730 -11.005 8.600 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.815 -9.774 10.159 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.126 -9.317 10.063 1.00 0.00 H new ATOM 1049 N VAL A 69 -3.354 -8.646 7.708 1.00 0.00 N ATOM 1050 CA VAL A 69 -3.770 -7.673 6.711 1.00 0.00 C ATOM 1051 C VAL A 69 -4.952 -6.847 7.209 1.00 0.00 C ATOM 1052 O VAL A 69 -6.092 -7.308 7.234 1.00 0.00 O ATOM 1053 CB VAL A 69 -4.122 -8.358 5.366 1.00 0.00 C ATOM 1054 CG1 VAL A 69 -2.856 -8.802 4.651 1.00 0.00 C ATOM 1055 CG2 VAL A 69 -5.042 -9.551 5.583 1.00 0.00 C ATOM 0 H VAL A 69 -3.893 -9.512 7.691 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.928 -7.002 6.541 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.645 -7.630 4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.120 -9.281 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.226 -7.934 4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.313 -9.509 5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.272 -10.012 4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.548 -10.279 6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.965 -9.217 6.056 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.662 -5.627 7.621 1.00 0.00 N ATOM 1066 CA GLU A 70 -5.680 -4.737 8.147 1.00 0.00 C ATOM 1067 C GLU A 70 -6.231 -3.845 7.041 1.00 0.00 C ATOM 1068 O GLU A 70 -5.468 -3.239 6.283 1.00 0.00 O ATOM 1069 CB GLU A 70 -5.098 -3.879 9.270 1.00 0.00 C ATOM 1070 CG GLU A 70 -4.468 -4.686 10.395 1.00 0.00 C ATOM 1071 CD GLU A 70 -5.435 -5.664 11.027 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -6.375 -5.215 11.713 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -5.248 -6.886 10.859 1.00 0.00 O ATOM 0 H GLU A 70 -3.724 -5.228 7.601 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.495 -5.340 8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.347 -3.209 8.851 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.889 -3.253 9.683 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.608 -5.232 10.007 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.095 -4.005 11.160 1.00 0.00 H new ATOM 1080 N GLU A 71 -7.550 -3.776 6.944 1.00 0.00 N ATOM 1081 CA GLU A 71 -8.206 -2.950 5.941 1.00 0.00 C ATOM 1082 C GLU A 71 -9.065 -1.866 6.594 1.00 0.00 C ATOM 1083 O GLU A 71 -10.159 -2.131 7.084 1.00 0.00 O ATOM 1084 CB GLU A 71 -9.048 -3.821 4.991 1.00 0.00 C ATOM 1085 CG GLU A 71 -9.509 -5.157 5.581 1.00 0.00 C ATOM 1086 CD GLU A 71 -10.487 -5.014 6.735 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -11.698 -4.840 6.475 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -10.049 -5.074 7.905 1.00 0.00 O ATOM 0 H GLU A 71 -8.191 -4.286 7.552 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.434 -2.452 5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.926 -3.254 4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.466 -4.019 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.975 -5.750 4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.636 -5.713 5.924 1.00 0.00 H new ATOM 1095 N LYS A 72 -8.557 -0.642 6.627 1.00 0.00 N ATOM 1096 CA LYS A 72 -9.296 0.461 7.232 1.00 0.00 C ATOM 1097 C LYS A 72 -9.881 1.376 6.165 1.00 0.00 C ATOM 1098 O LYS A 72 -9.186 2.237 5.624 1.00 0.00 O ATOM 1099 CB LYS A 72 -8.416 1.284 8.185 1.00 0.00 C ATOM 1100 CG LYS A 72 -8.116 0.607 9.519 1.00 0.00 C ATOM 1101 CD LYS A 72 -7.146 -0.549 9.361 1.00 0.00 C ATOM 1102 CE LYS A 72 -6.785 -1.175 10.701 1.00 0.00 C ATOM 1103 NZ LYS A 72 -7.965 -1.770 11.385 1.00 0.00 N ATOM 0 H LYS A 72 -7.646 -0.387 6.247 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.107 0.017 7.810 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.473 1.507 7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.907 2.238 8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.700 1.338 10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.045 0.244 9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.587 -1.307 8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.239 -0.197 8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.030 -1.946 10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.339 -0.417 11.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.652 -2.286 12.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.623 -1.014 11.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.446 -2.427 10.738 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.152 1.174 5.855 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.858 2.044 4.934 1.00 0.00 C ATOM 1119 C LEU A 73 -12.327 3.296 5.659 1.00 0.00 C ATOM 1120 O LEU A 73 -13.335 3.275 6.360 1.00 0.00 O ATOM 1121 CB LEU A 73 -13.063 1.324 4.319 1.00 0.00 C ATOM 1122 CG LEU A 73 -12.730 0.151 3.399 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -14.003 -0.551 2.953 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -11.938 0.632 2.193 1.00 0.00 C ATOM 0 H LEU A 73 -11.716 0.411 6.231 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.173 2.322 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.698 0.960 5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.649 2.050 3.755 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.118 -0.561 3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.749 -1.384 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.537 -0.926 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.637 0.153 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.708 -0.215 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.527 1.362 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.010 1.095 2.528 1.00 0.00 H new ATOM 1136 N THR A 74 -11.578 4.374 5.514 1.00 0.00 N ATOM 1137 CA THR A 74 -11.960 5.634 6.122 1.00 0.00 C ATOM 1138 C THR A 74 -12.572 6.544 5.064 1.00 0.00 C ATOM 1139 O THR A 74 -11.881 7.034 4.178 1.00 0.00 O ATOM 1140 CB THR A 74 -10.746 6.323 6.792 1.00 0.00 C ATOM 1141 OG1 THR A 74 -9.715 6.591 5.832 1.00 0.00 O ATOM 1142 CG2 THR A 74 -10.169 5.458 7.897 1.00 0.00 C ATOM 0 H THR A 74 -10.707 4.402 4.984 1.00 0.00 H new ATOM 0 HA THR A 74 -12.698 5.436 6.900 1.00 0.00 H new ATOM 0 HB THR A 74 -11.103 7.262 7.216 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.600 5.811 5.250 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.318 5.966 8.350 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.931 5.280 8.656 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.843 4.505 7.480 1.00 0.00 H new ATOM 1150 N TYR A 75 -13.875 6.763 5.140 1.00 0.00 N ATOM 1151 CA TYR A 75 -14.555 7.544 4.120 1.00 0.00 C ATOM 1152 C TYR A 75 -15.656 8.405 4.720 1.00 0.00 C ATOM 1153 O TYR A 75 -16.466 7.941 5.527 1.00 0.00 O ATOM 1154 CB TYR A 75 -15.109 6.638 3.006 1.00 0.00 C ATOM 1155 CG TYR A 75 -16.050 5.542 3.467 1.00 0.00 C ATOM 1156 CD1 TYR A 75 -15.574 4.421 4.136 1.00 0.00 C ATOM 1157 CD2 TYR A 75 -17.415 5.625 3.221 1.00 0.00 C ATOM 1158 CE1 TYR A 75 -16.429 3.418 4.547 1.00 0.00 C ATOM 1159 CE2 TYR A 75 -18.276 4.625 3.627 1.00 0.00 C ATOM 1160 CZ TYR A 75 -17.779 3.524 4.290 1.00 0.00 C ATOM 1161 OH TYR A 75 -18.634 2.525 4.697 1.00 0.00 O ATOM 0 H TYR A 75 -14.476 6.416 5.887 1.00 0.00 H new ATOM 0 HA TYR A 75 -13.819 8.213 3.675 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -15.632 7.261 2.281 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -14.270 6.178 2.484 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -14.517 4.333 4.338 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -17.809 6.487 2.703 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -16.042 2.554 5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -19.334 4.705 3.426 1.00 0.00 H new ATOM 0 HH TYR A 75 -19.551 2.754 4.439 1.00 0.00 H new ATOM 1171 N THR A 76 -15.654 9.669 4.333 1.00 0.00 N ATOM 1172 CA THR A 76 -16.642 10.620 4.803 1.00 0.00 C ATOM 1173 C THR A 76 -17.708 10.855 3.745 1.00 0.00 C ATOM 1174 O THR A 76 -18.873 10.498 3.925 1.00 0.00 O ATOM 1175 CB THR A 76 -15.973 11.955 5.172 1.00 0.00 C ATOM 1176 OG1 THR A 76 -15.096 12.372 4.111 1.00 0.00 O ATOM 1177 CG2 THR A 76 -15.186 11.828 6.467 1.00 0.00 C ATOM 0 H THR A 76 -14.970 10.062 3.687 1.00 0.00 H new ATOM 0 HA THR A 76 -17.115 10.203 5.692 1.00 0.00 H new ATOM 0 HB THR A 76 -16.754 12.702 5.314 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.674 13.223 4.351 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.722 12.785 6.706 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.858 11.538 7.275 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.412 11.069 6.350 1.00 0.00 H new ATOM 1185 N ASP A 77 -17.283 11.447 2.641 1.00 0.00 N ATOM 1186 CA ASP A 77 -18.168 11.742 1.515 1.00 0.00 C ATOM 1187 C ASP A 77 -17.363 12.229 0.314 1.00 0.00 C ATOM 1188 O ASP A 77 -17.721 11.969 -0.831 1.00 0.00 O ATOM 1189 CB ASP A 77 -19.210 12.807 1.891 1.00 0.00 C ATOM 1190 CG ASP A 77 -18.652 14.221 1.869 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -17.957 14.613 2.830 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -18.907 14.951 0.887 1.00 0.00 O ATOM 0 H ASP A 77 -16.316 11.738 2.495 1.00 0.00 H new ATOM 0 HA ASP A 77 -18.686 10.819 1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -20.051 12.744 1.200 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -19.598 12.591 2.886 1.00 0.00 H new ATOM 1197 N THR A 78 -16.279 12.947 0.583 1.00 0.00 N ATOM 1198 CA THR A 78 -15.470 13.536 -0.475 1.00 0.00 C ATOM 1199 C THR A 78 -14.406 12.560 -0.974 1.00 0.00 C ATOM 1200 O THR A 78 -14.079 12.529 -2.163 1.00 0.00 O ATOM 1201 CB THR A 78 -14.796 14.827 0.024 1.00 0.00 C ATOM 1202 OG1 THR A 78 -15.775 15.668 0.651 1.00 0.00 O ATOM 1203 CG2 THR A 78 -14.134 15.581 -1.120 1.00 0.00 C ATOM 0 H THR A 78 -15.940 13.135 1.527 1.00 0.00 H new ATOM 0 HA THR A 78 -16.135 13.771 -1.306 1.00 0.00 H new ATOM 0 HB THR A 78 -14.024 14.553 0.744 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.345 16.489 0.970 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.667 16.488 -0.736 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.375 14.949 -1.581 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.885 15.847 -1.864 1.00 0.00 H new ATOM 1211 N TYR A 79 -13.877 11.751 -0.068 1.00 0.00 N ATOM 1212 CA TYR A 79 -12.827 10.810 -0.420 1.00 0.00 C ATOM 1213 C TYR A 79 -12.929 9.558 0.439 1.00 0.00 C ATOM 1214 O TYR A 79 -13.549 9.573 1.506 1.00 0.00 O ATOM 1215 CB TYR A 79 -11.445 11.456 -0.245 1.00 0.00 C ATOM 1216 CG TYR A 79 -11.054 11.693 1.198 1.00 0.00 C ATOM 1217 CD1 TYR A 79 -11.539 12.787 1.902 1.00 0.00 C ATOM 1218 CD2 TYR A 79 -10.200 10.816 1.854 1.00 0.00 C ATOM 1219 CE1 TYR A 79 -11.187 12.999 3.221 1.00 0.00 C ATOM 1220 CE2 TYR A 79 -9.842 11.020 3.173 1.00 0.00 C ATOM 1221 CZ TYR A 79 -10.338 12.113 3.852 1.00 0.00 C ATOM 1222 OH TYR A 79 -9.989 12.320 5.169 1.00 0.00 O ATOM 0 H TYR A 79 -14.157 11.728 0.913 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.953 10.531 -1.466 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.695 10.818 -0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.431 12.408 -0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.202 13.484 1.411 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.809 9.960 1.324 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.574 13.854 3.755 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.178 10.328 3.669 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.386 11.606 5.464 1.00 0.00 H new ATOM 1232 N ALA A 80 -12.326 8.485 -0.042 1.00 0.00 N ATOM 1233 CA ALA A 80 -12.263 7.238 0.694 1.00 0.00 C ATOM 1234 C ALA A 80 -10.817 6.773 0.788 1.00 0.00 C ATOM 1235 O ALA A 80 -10.208 6.397 -0.212 1.00 0.00 O ATOM 1236 CB ALA A 80 -13.127 6.179 0.024 1.00 0.00 C ATOM 0 H ALA A 80 -11.867 8.455 -0.953 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.648 7.398 1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.068 5.249 0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -14.162 6.520 -0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.771 6.008 -0.992 1.00 0.00 H new ATOM 1242 N GLN A 81 -10.270 6.822 1.984 1.00 0.00 N ATOM 1243 CA GLN A 81 -8.886 6.451 2.211 1.00 0.00 C ATOM 1244 C GLN A 81 -8.825 5.020 2.725 1.00 0.00 C ATOM 1245 O GLN A 81 -9.211 4.744 3.865 1.00 0.00 O ATOM 1246 CB GLN A 81 -8.250 7.409 3.227 1.00 0.00 C ATOM 1247 CG GLN A 81 -6.755 7.625 3.041 1.00 0.00 C ATOM 1248 CD GLN A 81 -5.921 6.422 3.436 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -5.641 5.551 2.618 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -5.517 6.369 4.694 1.00 0.00 N ATOM 0 H GLN A 81 -10.768 7.118 2.824 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.332 6.518 1.275 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.754 8.373 3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.426 7.023 4.231 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.557 7.868 1.997 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.443 8.485 3.633 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.771 7.114 5.343 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.951 5.584 5.015 1.00 0.00 H new ATOM 1259 N GLU A 82 -8.379 4.111 1.875 1.00 0.00 N ATOM 1260 CA GLU A 82 -8.226 2.724 2.266 1.00 0.00 C ATOM 1261 C GLU A 82 -6.837 2.517 2.853 1.00 0.00 C ATOM 1262 O GLU A 82 -5.864 2.305 2.127 1.00 0.00 O ATOM 1263 CB GLU A 82 -8.456 1.785 1.074 1.00 0.00 C ATOM 1264 CG GLU A 82 -8.407 0.308 1.441 1.00 0.00 C ATOM 1265 CD GLU A 82 -8.669 -0.605 0.258 1.00 0.00 C ATOM 1266 OE1 GLU A 82 -7.768 -0.753 -0.596 1.00 0.00 O ATOM 1267 OE2 GLU A 82 -9.771 -1.191 0.183 1.00 0.00 O ATOM 0 H GLU A 82 -8.117 4.311 0.910 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.976 2.485 3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.426 2.008 0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.702 1.987 0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.429 0.076 1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.145 0.108 2.218 1.00 0.00 H new ATOM 1274 N ASN A 83 -6.744 2.640 4.168 1.00 0.00 N ATOM 1275 CA ASN A 83 -5.483 2.440 4.859 1.00 0.00 C ATOM 1276 C ASN A 83 -5.248 0.951 5.016 1.00 0.00 C ATOM 1277 O ASN A 83 -5.908 0.290 5.820 1.00 0.00 O ATOM 1278 CB ASN A 83 -5.498 3.125 6.234 1.00 0.00 C ATOM 1279 CG ASN A 83 -4.118 3.248 6.879 1.00 0.00 C ATOM 1280 OD1 ASN A 83 -3.855 4.203 7.609 1.00 0.00 O ATOM 1281 ND2 ASN A 83 -3.230 2.290 6.636 1.00 0.00 N ATOM 0 H ASN A 83 -7.527 2.877 4.777 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.676 2.885 4.276 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.929 4.121 6.128 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.152 2.564 6.902 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.303 2.335 7.059 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.475 1.510 6.027 1.00 0.00 H new ATOM 1288 N VAL A 84 -4.324 0.421 4.239 1.00 0.00 N ATOM 1289 CA VAL A 84 -4.063 -1.012 4.270 1.00 0.00 C ATOM 1290 C VAL A 84 -2.784 -1.298 5.041 1.00 0.00 C ATOM 1291 O VAL A 84 -1.848 -0.510 5.011 1.00 0.00 O ATOM 1292 CB VAL A 84 -3.961 -1.609 2.845 1.00 0.00 C ATOM 1293 CG1 VAL A 84 -3.741 -3.115 2.890 1.00 0.00 C ATOM 1294 CG2 VAL A 84 -5.206 -1.282 2.036 1.00 0.00 C ATOM 0 H VAL A 84 -3.746 0.949 3.585 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.906 -1.487 4.773 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.098 -1.156 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.674 -3.503 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.815 -3.332 3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.576 -3.589 3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.114 -1.710 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -6.082 -1.700 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.315 -0.200 1.958 1.00 0.00 H new ATOM 1304 N THR A 85 -2.762 -2.398 5.767 1.00 0.00 N ATOM 1305 CA THR A 85 -1.564 -2.818 6.467 1.00 0.00 C ATOM 1306 C THR A 85 -1.341 -4.312 6.268 1.00 0.00 C ATOM 1307 O THR A 85 -2.014 -5.137 6.877 1.00 0.00 O ATOM 1308 CB THR A 85 -1.650 -2.488 7.971 1.00 0.00 C ATOM 1309 OG1 THR A 85 -1.955 -1.095 8.139 1.00 0.00 O ATOM 1310 CG2 THR A 85 -0.340 -2.813 8.679 1.00 0.00 C ATOM 0 H THR A 85 -3.562 -3.019 5.888 1.00 0.00 H new ATOM 0 HA THR A 85 -0.718 -2.270 6.051 1.00 0.00 H new ATOM 0 HB THR A 85 -2.439 -3.097 8.413 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.011 -0.885 9.095 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.429 -2.571 9.738 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.120 -3.875 8.567 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.467 -2.227 8.239 1.00 0.00 H new ATOM 1318 N ILE A 86 -0.421 -4.646 5.376 1.00 0.00 N ATOM 1319 CA ILE A 86 -0.105 -6.033 5.074 1.00 0.00 C ATOM 1320 C ILE A 86 1.091 -6.495 5.898 1.00 0.00 C ATOM 1321 O ILE A 86 2.197 -5.983 5.740 1.00 0.00 O ATOM 1322 CB ILE A 86 0.208 -6.221 3.572 1.00 0.00 C ATOM 1323 CG1 ILE A 86 -0.970 -5.738 2.718 1.00 0.00 C ATOM 1324 CG2 ILE A 86 0.526 -7.680 3.270 1.00 0.00 C ATOM 1325 CD1 ILE A 86 -0.705 -5.789 1.227 1.00 0.00 C ATOM 0 H ILE A 86 0.124 -3.968 4.844 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.979 -6.633 5.328 1.00 0.00 H new ATOM 0 HB ILE A 86 1.084 -5.622 3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.845 -6.348 2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.215 -4.714 2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.744 -7.793 2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.393 -7.992 3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.330 -8.301 3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.583 -5.432 0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.149 -5.156 0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.490 -6.816 0.931 1.00 0.00 H new ATOM 1337 N ASP A 87 0.862 -7.442 6.792 1.00 0.00 N ATOM 1338 CA ASP A 87 1.937 -7.983 7.613 1.00 0.00 C ATOM 1339 C ASP A 87 2.686 -9.076 6.861 1.00 0.00 C ATOM 1340 O ASP A 87 2.104 -10.095 6.492 1.00 0.00 O ATOM 1341 CB ASP A 87 1.388 -8.540 8.923 1.00 0.00 C ATOM 1342 CG ASP A 87 2.484 -9.084 9.810 1.00 0.00 C ATOM 1343 OD1 ASP A 87 3.089 -8.289 10.555 1.00 0.00 O ATOM 1344 OD2 ASP A 87 2.742 -10.304 9.763 1.00 0.00 O ATOM 0 H ASP A 87 -0.055 -7.852 6.969 1.00 0.00 H new ATOM 0 HA ASP A 87 2.629 -7.172 7.840 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.849 -7.755 9.453 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.669 -9.331 8.708 1.00 0.00 H new ATOM 1349 N MET A 88 3.980 -8.865 6.654 1.00 0.00 N ATOM 1350 CA MET A 88 4.797 -9.775 5.857 1.00 0.00 C ATOM 1351 C MET A 88 5.460 -10.845 6.716 1.00 0.00 C ATOM 1352 O MET A 88 6.467 -11.430 6.314 1.00 0.00 O ATOM 1353 CB MET A 88 5.889 -9.011 5.106 1.00 0.00 C ATOM 1354 CG MET A 88 5.375 -8.019 4.080 1.00 0.00 C ATOM 1355 SD MET A 88 6.698 -7.420 3.012 1.00 0.00 S ATOM 1356 CE MET A 88 5.795 -6.337 1.913 1.00 0.00 C ATOM 0 H MET A 88 4.490 -8.066 7.030 1.00 0.00 H new ATOM 0 HA MET A 88 4.123 -10.256 5.149 1.00 0.00 H new ATOM 0 HB2 MET A 88 6.505 -8.478 5.830 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.537 -9.730 4.604 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.602 -8.491 3.473 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.909 -7.176 4.590 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.221 -6.397 0.912 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.749 -6.641 1.881 1.00 0.00 H new ATOM 0 HE3 MET A 88 5.864 -5.311 2.276 1.00 0.00 H new ATOM 1366 N GLU A 89 4.916 -11.100 7.894 1.00 0.00 N ATOM 1367 CA GLU A 89 5.463 -12.134 8.757 1.00 0.00 C ATOM 1368 C GLU A 89 4.508 -13.320 8.831 1.00 0.00 C ATOM 1369 O GLU A 89 4.771 -14.307 9.521 1.00 0.00 O ATOM 1370 CB GLU A 89 5.756 -11.573 10.151 1.00 0.00 C ATOM 1371 CG GLU A 89 6.781 -10.449 10.135 1.00 0.00 C ATOM 1372 CD GLU A 89 7.139 -9.948 11.519 1.00 0.00 C ATOM 1373 OE1 GLU A 89 8.075 -10.499 12.133 1.00 0.00 O ATOM 1374 OE2 GLU A 89 6.494 -8.994 11.996 1.00 0.00 O ATOM 0 H GLU A 89 4.105 -10.611 8.272 1.00 0.00 H new ATOM 0 HA GLU A 89 6.405 -12.482 8.333 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.829 -11.206 10.591 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.117 -12.377 10.792 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.685 -10.798 9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.392 -9.619 9.545 1.00 0.00 H new ATOM 1381 N LYS A 90 3.410 -13.222 8.092 1.00 0.00 N ATOM 1382 CA LYS A 90 2.417 -14.286 8.040 1.00 0.00 C ATOM 1383 C LYS A 90 1.762 -14.334 6.653 1.00 0.00 C ATOM 1384 O LYS A 90 0.733 -14.981 6.462 1.00 0.00 O ATOM 1385 CB LYS A 90 1.353 -14.048 9.121 1.00 0.00 C ATOM 1386 CG LYS A 90 0.437 -15.236 9.368 1.00 0.00 C ATOM 1387 CD LYS A 90 -0.697 -14.873 10.311 1.00 0.00 C ATOM 1388 CE LYS A 90 -1.577 -16.073 10.621 1.00 0.00 C ATOM 1389 NZ LYS A 90 -0.824 -17.145 11.321 1.00 0.00 N ATOM 0 H LYS A 90 3.184 -12.410 7.517 1.00 0.00 H new ATOM 0 HA LYS A 90 2.907 -15.242 8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.852 -13.788 10.055 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.746 -13.189 8.834 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.027 -15.585 8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.013 -16.060 9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.286 -14.474 11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.302 -14.083 9.865 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.418 -15.757 11.239 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.993 -16.467 9.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.493 -17.824 11.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.209 -17.637 10.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.243 -16.726 12.074 1.00 0.00 H new ATOM 1403 N VAL A 91 2.385 -13.677 5.679 1.00 0.00 N ATOM 1404 CA VAL A 91 1.777 -13.502 4.357 1.00 0.00 C ATOM 1405 C VAL A 91 1.590 -14.815 3.610 1.00 0.00 C ATOM 1406 O VAL A 91 2.484 -15.667 3.569 1.00 0.00 O ATOM 1407 CB VAL A 91 2.583 -12.547 3.448 1.00 0.00 C ATOM 1408 CG1 VAL A 91 2.103 -11.117 3.605 1.00 0.00 C ATOM 1409 CG2 VAL A 91 4.073 -12.645 3.735 1.00 0.00 C ATOM 0 H VAL A 91 3.309 -13.256 5.777 1.00 0.00 H new ATOM 0 HA VAL A 91 0.801 -13.065 4.569 1.00 0.00 H new ATOM 0 HB VAL A 91 2.417 -12.853 2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.686 -10.464 2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.050 -11.055 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.228 -10.803 4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.615 -11.962 3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.262 -12.378 4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.412 -13.665 3.555 1.00 0.00 H new ATOM 1419 N ASP A 92 0.409 -14.965 3.031 1.00 0.00 N ATOM 1420 CA ASP A 92 0.139 -16.041 2.095 1.00 0.00 C ATOM 1421 C ASP A 92 0.191 -15.484 0.681 1.00 0.00 C ATOM 1422 O ASP A 92 -0.687 -14.722 0.270 1.00 0.00 O ATOM 1423 CB ASP A 92 -1.231 -16.668 2.358 1.00 0.00 C ATOM 1424 CG ASP A 92 -1.544 -17.790 1.388 1.00 0.00 C ATOM 1425 OD1 ASP A 92 -1.121 -18.938 1.650 1.00 0.00 O ATOM 1426 OD2 ASP A 92 -2.211 -17.533 0.364 1.00 0.00 O ATOM 0 H ASP A 92 -0.385 -14.347 3.197 1.00 0.00 H new ATOM 0 HA ASP A 92 0.892 -16.819 2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.263 -17.052 3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.001 -15.900 2.283 1.00 0.00 H new ATOM 1431 N PHE A 93 1.227 -15.849 -0.055 1.00 0.00 N ATOM 1432 CA PHE A 93 1.451 -15.282 -1.375 1.00 0.00 C ATOM 1433 C PHE A 93 0.585 -15.961 -2.429 1.00 0.00 C ATOM 1434 O PHE A 93 0.513 -15.502 -3.568 1.00 0.00 O ATOM 1435 CB PHE A 93 2.927 -15.371 -1.759 1.00 0.00 C ATOM 1436 CG PHE A 93 3.813 -14.490 -0.925 1.00 0.00 C ATOM 1437 CD1 PHE A 93 3.687 -13.111 -0.981 1.00 0.00 C ATOM 1438 CD2 PHE A 93 4.775 -15.037 -0.094 1.00 0.00 C ATOM 1439 CE1 PHE A 93 4.503 -12.294 -0.224 1.00 0.00 C ATOM 1440 CE2 PHE A 93 5.594 -14.226 0.667 1.00 0.00 C ATOM 1441 CZ PHE A 93 5.459 -12.852 0.602 1.00 0.00 C ATOM 0 H PHE A 93 1.925 -16.533 0.237 1.00 0.00 H new ATOM 0 HA PHE A 93 1.164 -14.231 -1.334 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.259 -16.405 -1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.039 -15.098 -2.808 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.941 -12.670 -1.625 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.887 -16.110 -0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.394 -11.221 -0.278 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.340 -14.665 1.313 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.099 -12.216 1.196 1.00 0.00 H new ATOM 1451 N LYS A 94 -0.076 -17.047 -2.043 1.00 0.00 N ATOM 1452 CA LYS A 94 -0.992 -17.738 -2.941 1.00 0.00 C ATOM 1453 C LYS A 94 -2.182 -16.841 -3.247 1.00 0.00 C ATOM 1454 O LYS A 94 -2.451 -16.510 -4.402 1.00 0.00 O ATOM 1455 CB LYS A 94 -1.493 -19.042 -2.316 1.00 0.00 C ATOM 1456 CG LYS A 94 -0.395 -20.025 -1.951 1.00 0.00 C ATOM 1457 CD LYS A 94 -0.959 -21.191 -1.159 1.00 0.00 C ATOM 1458 CE LYS A 94 0.129 -22.151 -0.713 1.00 0.00 C ATOM 1459 NZ LYS A 94 -0.392 -23.163 0.243 1.00 0.00 N ATOM 0 H LYS A 94 0.005 -17.466 -1.117 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.455 -17.974 -3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.064 -18.805 -1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.179 -19.524 -3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.086 -20.393 -2.857 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.373 -19.519 -1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.490 -20.813 -0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.687 -21.726 -1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.550 -22.655 -1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.939 -21.592 -0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.378 -23.802 0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.771 -22.683 1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.148 -23.713 -0.212 1.00 0.00 H new ATOM 1473 N ALA A 95 -2.877 -16.434 -2.192 1.00 0.00 N ATOM 1474 CA ALA A 95 -4.048 -15.584 -2.329 1.00 0.00 C ATOM 1475 C ALA A 95 -3.652 -14.167 -2.724 1.00 0.00 C ATOM 1476 O ALA A 95 -4.346 -13.519 -3.505 1.00 0.00 O ATOM 1477 CB ALA A 95 -4.843 -15.570 -1.032 1.00 0.00 C ATOM 0 H ALA A 95 -2.647 -16.681 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.674 -15.993 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.717 -14.930 -1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.165 -16.583 -0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.217 -15.187 -0.226 1.00 0.00 H new ATOM 1483 N LEU A 96 -2.514 -13.710 -2.204 1.00 0.00 N ATOM 1484 CA LEU A 96 -2.042 -12.340 -2.418 1.00 0.00 C ATOM 1485 C LEU A 96 -1.947 -11.998 -3.908 1.00 0.00 C ATOM 1486 O LEU A 96 -2.161 -10.847 -4.303 1.00 0.00 O ATOM 1487 CB LEU A 96 -0.682 -12.148 -1.726 1.00 0.00 C ATOM 1488 CG LEU A 96 -0.119 -10.719 -1.720 1.00 0.00 C ATOM 1489 CD1 LEU A 96 0.724 -10.495 -0.476 1.00 0.00 C ATOM 1490 CD2 LEU A 96 0.724 -10.461 -2.962 1.00 0.00 C ATOM 0 H LEU A 96 -1.894 -14.276 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.769 -11.656 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.773 -12.485 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.044 -12.800 -2.211 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.959 -10.024 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.118 -9.479 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.108 -10.640 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.551 -11.205 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.111 -9.442 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.556 -11.165 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.109 -10.591 -3.853 1.00 0.00 H new ATOM 1502 N GLN A 97 -1.654 -13.000 -4.732 1.00 0.00 N ATOM 1503 CA GLN A 97 -1.523 -12.800 -6.175 1.00 0.00 C ATOM 1504 C GLN A 97 -2.846 -12.376 -6.812 1.00 0.00 C ATOM 1505 O GLN A 97 -2.862 -11.803 -7.902 1.00 0.00 O ATOM 1506 CB GLN A 97 -1.004 -14.073 -6.843 1.00 0.00 C ATOM 1507 CG GLN A 97 0.445 -14.383 -6.505 1.00 0.00 C ATOM 1508 CD GLN A 97 1.397 -13.312 -7.001 1.00 0.00 C ATOM 1509 OE1 GLN A 97 1.902 -13.389 -8.120 1.00 0.00 O ATOM 1510 NE2 GLN A 97 1.653 -12.311 -6.174 1.00 0.00 N ATOM 0 H GLN A 97 -1.502 -13.961 -4.426 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.806 -11.994 -6.330 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.628 -14.914 -6.540 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -1.104 -13.974 -7.924 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.549 -14.486 -5.425 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.720 -15.342 -6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.213 -12.284 -5.254 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.290 -11.566 -6.457 1.00 0.00 H new ATOM 1519 N GLY A 98 -3.950 -12.654 -6.129 1.00 0.00 N ATOM 1520 CA GLY A 98 -5.252 -12.253 -6.628 1.00 0.00 C ATOM 1521 C GLY A 98 -5.844 -11.116 -5.818 1.00 0.00 C ATOM 1522 O GLY A 98 -6.989 -10.713 -6.033 1.00 0.00 O ATOM 0 H GLY A 98 -3.967 -13.150 -5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.163 -11.948 -7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.929 -13.107 -6.603 1.00 0.00 H new ATOM 1526 N ILE A 99 -5.060 -10.598 -4.883 1.00 0.00 N ATOM 1527 CA ILE A 99 -5.515 -9.518 -4.018 1.00 0.00 C ATOM 1528 C ILE A 99 -4.853 -8.209 -4.413 1.00 0.00 C ATOM 1529 O ILE A 99 -5.439 -7.388 -5.118 1.00 0.00 O ATOM 1530 CB ILE A 99 -5.206 -9.805 -2.533 1.00 0.00 C ATOM 1531 CG1 ILE A 99 -5.683 -11.203 -2.141 1.00 0.00 C ATOM 1532 CG2 ILE A 99 -5.857 -8.756 -1.641 1.00 0.00 C ATOM 1533 CD1 ILE A 99 -7.167 -11.412 -2.313 1.00 0.00 C ATOM 0 H ILE A 99 -4.105 -10.908 -4.704 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.595 -9.443 -4.141 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.126 -9.759 -2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -5.150 -11.940 -2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.418 -11.388 -1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.629 -8.974 -0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.472 -7.769 -1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.937 -8.773 -1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.428 -12.427 -2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.709 -10.700 -1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.437 -11.260 -3.358 1.00 0.00 H new ATOM 1648 N ASP A 108 9.419 -10.756 -7.038 1.00 0.00 N ATOM 1649 CA ASP A 108 9.266 -10.094 -5.749 1.00 0.00 C ATOM 1650 C ASP A 108 8.031 -10.609 -5.018 1.00 0.00 C ATOM 1651 O ASP A 108 8.124 -11.133 -3.906 1.00 0.00 O ATOM 1652 CB ASP A 108 9.179 -8.575 -5.951 1.00 0.00 C ATOM 1653 CG ASP A 108 8.999 -7.802 -4.654 1.00 0.00 C ATOM 1654 OD1 ASP A 108 9.686 -8.128 -3.660 1.00 0.00 O ATOM 1655 OD2 ASP A 108 8.192 -6.853 -4.639 1.00 0.00 O ATOM 0 HA ASP A 108 10.138 -10.320 -5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 108 10.085 -8.230 -6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 108 8.345 -8.352 -6.617 1.00 0.00 H new ATOM 1660 N ALA A 109 6.886 -10.505 -5.679 1.00 0.00 N ATOM 1661 CA ALA A 109 5.603 -10.821 -5.060 1.00 0.00 C ATOM 1662 C ALA A 109 5.440 -12.312 -4.751 1.00 0.00 C ATOM 1663 O ALA A 109 4.776 -12.676 -3.784 1.00 0.00 O ATOM 1664 CB ALA A 109 4.467 -10.344 -5.951 1.00 0.00 C ATOM 0 H ALA A 109 6.818 -10.202 -6.651 1.00 0.00 H new ATOM 0 HA ALA A 109 5.573 -10.297 -4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.512 -10.583 -5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.542 -9.266 -6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.531 -10.841 -6.919 1.00 0.00 H new ATOM 1670 N LYS A 110 6.040 -13.176 -5.560 1.00 0.00 N ATOM 1671 CA LYS A 110 5.839 -14.616 -5.399 1.00 0.00 C ATOM 1672 C LYS A 110 6.831 -15.231 -4.415 1.00 0.00 C ATOM 1673 O LYS A 110 6.483 -16.137 -3.658 1.00 0.00 O ATOM 1674 CB LYS A 110 5.955 -15.335 -6.743 1.00 0.00 C ATOM 1675 CG LYS A 110 4.891 -14.938 -7.754 1.00 0.00 C ATOM 1676 CD LYS A 110 5.073 -15.692 -9.060 1.00 0.00 C ATOM 1677 CE LYS A 110 4.050 -15.274 -10.105 1.00 0.00 C ATOM 1678 NZ LYS A 110 2.653 -15.520 -9.657 1.00 0.00 N ATOM 0 H LYS A 110 6.662 -12.913 -6.325 1.00 0.00 H new ATOM 0 HA LYS A 110 4.834 -14.745 -4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.938 -15.132 -7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.897 -16.410 -6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.902 -15.144 -7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.942 -13.865 -7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.077 -15.515 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.987 -16.763 -8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.176 -14.215 -10.330 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.234 -15.821 -11.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.016 -15.498 -10.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 2.594 -16.452 -9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 2.370 -14.783 -8.980 1.00 0.00 H new ATOM 1692 N LYS A 111 8.064 -14.742 -4.423 1.00 0.00 N ATOM 1693 CA LYS A 111 9.129 -15.365 -3.643 1.00 0.00 C ATOM 1694 C LYS A 111 9.259 -14.746 -2.256 1.00 0.00 C ATOM 1695 O LYS A 111 9.973 -15.270 -1.398 1.00 0.00 O ATOM 1696 CB LYS A 111 10.456 -15.265 -4.394 1.00 0.00 C ATOM 1697 CG LYS A 111 10.497 -16.107 -5.659 1.00 0.00 C ATOM 1698 CD LYS A 111 11.744 -15.825 -6.478 1.00 0.00 C ATOM 1699 CE LYS A 111 11.891 -16.814 -7.622 1.00 0.00 C ATOM 1700 NZ LYS A 111 13.036 -16.480 -8.507 1.00 0.00 N ATOM 0 H LYS A 111 8.352 -13.922 -4.956 1.00 0.00 H new ATOM 0 HA LYS A 111 8.867 -16.414 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.641 -14.223 -4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.264 -15.577 -3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 111 10.466 -17.164 -5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.612 -15.903 -6.261 1.00 0.00 H new ATOM 0 HD2 LYS A 111 11.699 -14.811 -6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 111 12.623 -15.877 -5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 111 12.027 -17.817 -7.218 1.00 0.00 H new ATOM 0 HE3 LYS A 111 10.972 -16.828 -8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.099 -17.181 -9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 12.895 -15.533 -8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.917 -16.492 -7.954 1.00 0.00 H new ATOM 1714 N GLY A 112 8.572 -13.640 -2.032 1.00 0.00 N ATOM 1715 CA GLY A 112 8.644 -12.979 -0.747 1.00 0.00 C ATOM 1716 C GLY A 112 9.344 -11.647 -0.849 1.00 0.00 C ATOM 1717 O GLY A 112 10.506 -11.582 -1.262 1.00 0.00 O ATOM 0 H GLY A 112 7.966 -13.187 -2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.638 -12.833 -0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 112 9.173 -13.616 -0.038 1.00 0.00 H new ATOM 1721 N ILE A 113 8.641 -10.590 -0.471 1.00 0.00 N ATOM 1722 CA ILE A 113 9.148 -9.237 -0.630 1.00 0.00 C ATOM 1723 C ILE A 113 10.414 -9.024 0.191 1.00 0.00 C ATOM 1724 O ILE A 113 10.423 -9.197 1.413 1.00 0.00 O ATOM 1725 CB ILE A 113 8.108 -8.178 -0.218 1.00 0.00 C ATOM 1726 CG1 ILE A 113 6.718 -8.520 -0.776 1.00 0.00 C ATOM 1727 CG2 ILE A 113 8.556 -6.802 -0.694 1.00 0.00 C ATOM 1728 CD1 ILE A 113 6.645 -8.562 -2.288 1.00 0.00 C ATOM 0 H ILE A 113 7.713 -10.645 -0.050 1.00 0.00 H new ATOM 0 HA ILE A 113 9.372 -9.117 -1.690 1.00 0.00 H new ATOM 0 HB ILE A 113 8.034 -8.170 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.410 -9.489 -0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.002 -7.785 -0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.817 -6.057 -0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 113 9.518 -6.557 -0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.654 -6.807 -1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.629 -8.810 -2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.919 -7.588 -2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.334 -9.318 -2.665 1.00 0.00 H new ATOM 1740 N THR A 114 11.480 -8.664 -0.496 1.00 0.00 N ATOM 1741 CA THR A 114 12.750 -8.370 0.137 1.00 0.00 C ATOM 1742 C THR A 114 13.082 -6.899 -0.098 1.00 0.00 C ATOM 1743 O THR A 114 12.588 -6.314 -1.059 1.00 0.00 O ATOM 1744 CB THR A 114 13.854 -9.273 -0.447 1.00 0.00 C ATOM 1745 OG1 THR A 114 13.378 -10.624 -0.501 1.00 0.00 O ATOM 1746 CG2 THR A 114 15.124 -9.218 0.391 1.00 0.00 C ATOM 0 H THR A 114 11.490 -8.567 -1.511 1.00 0.00 H new ATOM 0 HA THR A 114 12.687 -8.563 1.208 1.00 0.00 H new ATOM 0 HB THR A 114 14.094 -8.913 -1.447 1.00 0.00 H new ATOM 0 HG1 THR A 114 14.076 -11.202 -0.873 1.00 0.00 H new ATOM 0 HG21 THR A 114 15.880 -9.867 -0.051 1.00 0.00 H new ATOM 0 HG22 THR A 114 15.497 -8.194 0.420 1.00 0.00 H new ATOM 0 HG23 THR A 114 14.906 -9.554 1.405 1.00 0.00 H new ATOM 1754 N MET A 115 13.895 -6.295 0.765 1.00 0.00 N ATOM 1755 CA MET A 115 14.187 -4.867 0.646 1.00 0.00 C ATOM 1756 C MET A 115 14.847 -4.550 -0.694 1.00 0.00 C ATOM 1757 O MET A 115 14.507 -3.563 -1.342 1.00 0.00 O ATOM 1758 CB MET A 115 15.076 -4.381 1.793 1.00 0.00 C ATOM 1759 CG MET A 115 15.229 -2.870 1.818 1.00 0.00 C ATOM 1760 SD MET A 115 13.637 -2.031 1.943 1.00 0.00 S ATOM 1761 CE MET A 115 14.129 -0.325 1.729 1.00 0.00 C ATOM 0 H MET A 115 14.358 -6.763 1.544 1.00 0.00 H new ATOM 0 HA MET A 115 13.235 -4.339 0.701 1.00 0.00 H new ATOM 0 HB2 MET A 115 14.654 -4.715 2.741 1.00 0.00 H new ATOM 0 HB3 MET A 115 16.061 -4.840 1.703 1.00 0.00 H new ATOM 0 HG2 MET A 115 15.857 -2.583 2.661 1.00 0.00 H new ATOM 0 HG3 MET A 115 15.741 -2.543 0.913 1.00 0.00 H new ATOM 0 HE1 MET A 115 13.298 0.243 1.311 1.00 0.00 H new ATOM 0 HE2 MET A 115 14.408 0.097 2.695 1.00 0.00 H new ATOM 0 HE3 MET A 115 14.981 -0.274 1.051 1.00 0.00 H new ATOM 1771 N ALA A 116 15.778 -5.403 -1.112 1.00 0.00 N ATOM 1772 CA ALA A 116 16.449 -5.235 -2.399 1.00 0.00 C ATOM 1773 C ALA A 116 15.437 -5.285 -3.540 1.00 0.00 C ATOM 1774 O ALA A 116 15.555 -4.561 -4.532 1.00 0.00 O ATOM 1775 CB ALA A 116 17.513 -6.306 -2.583 1.00 0.00 C ATOM 0 H ALA A 116 16.085 -6.217 -0.579 1.00 0.00 H new ATOM 0 HA ALA A 116 16.934 -4.259 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 116 18.005 -6.169 -3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 116 18.251 -6.227 -1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 116 17.047 -7.291 -2.551 1.00 0.00 H new ATOM 1781 N GLN A 117 14.441 -6.144 -3.381 1.00 0.00 N ATOM 1782 CA GLN A 117 13.355 -6.258 -4.341 1.00 0.00 C ATOM 1783 C GLN A 117 12.487 -5.014 -4.318 1.00 0.00 C ATOM 1784 O GLN A 117 12.496 -4.264 -5.270 1.00 0.00 O ATOM 1785 CB GLN A 117 12.527 -7.507 -4.051 1.00 0.00 C ATOM 1786 CG GLN A 117 13.118 -8.768 -4.652 1.00 0.00 C ATOM 1787 CD GLN A 117 12.662 -10.039 -3.958 1.00 0.00 C ATOM 1788 OE1 GLN A 117 13.401 -11.025 -3.903 1.00 0.00 O ATOM 1789 NE2 GLN A 117 11.446 -10.039 -3.439 1.00 0.00 N ATOM 0 H GLN A 117 14.363 -6.779 -2.586 1.00 0.00 H new ATOM 0 HA GLN A 117 13.780 -6.351 -5.341 1.00 0.00 H new ATOM 0 HB2 GLN A 117 12.438 -7.634 -2.972 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.519 -7.365 -4.440 1.00 0.00 H new ATOM 0 HG2 GLN A 117 12.846 -8.821 -5.706 1.00 0.00 H new ATOM 0 HG3 GLN A 117 14.205 -8.708 -4.606 1.00 0.00 H new ATOM 0 HE21 GLN A 117 10.864 -9.204 -3.504 1.00 0.00 H new ATOM 0 HE22 GLN A 117 11.090 -10.874 -2.973 1.00 0.00 H new ATOM 1798 N MET A 118 11.777 -4.791 -3.217 1.00 0.00 N ATOM 1799 CA MET A 118 10.889 -3.634 -3.069 1.00 0.00 C ATOM 1800 C MET A 118 11.530 -2.342 -3.594 1.00 0.00 C ATOM 1801 O MET A 118 10.888 -1.577 -4.309 1.00 0.00 O ATOM 1802 CB MET A 118 10.498 -3.455 -1.599 1.00 0.00 C ATOM 1803 CG MET A 118 9.480 -2.348 -1.365 1.00 0.00 C ATOM 1804 SD MET A 118 7.805 -2.960 -1.065 1.00 0.00 S ATOM 1805 CE MET A 118 7.450 -3.827 -2.593 1.00 0.00 C ATOM 0 H MET A 118 11.798 -5.403 -2.401 1.00 0.00 H new ATOM 0 HA MET A 118 9.999 -3.830 -3.668 1.00 0.00 H new ATOM 0 HB2 MET A 118 10.092 -4.394 -1.224 1.00 0.00 H new ATOM 0 HB3 MET A 118 11.395 -3.240 -1.018 1.00 0.00 H new ATOM 0 HG2 MET A 118 9.797 -1.748 -0.512 1.00 0.00 H new ATOM 0 HG3 MET A 118 9.467 -1.688 -2.232 1.00 0.00 H new ATOM 0 HE1 MET A 118 6.399 -4.116 -2.612 1.00 0.00 H new ATOM 0 HE2 MET A 118 7.662 -3.174 -3.440 1.00 0.00 H new ATOM 0 HE3 MET A 118 8.072 -4.719 -2.658 1.00 0.00 H new ATOM 1815 N GLU A 119 12.796 -2.111 -3.251 1.00 0.00 N ATOM 1816 CA GLU A 119 13.521 -0.932 -3.728 1.00 0.00 C ATOM 1817 C GLU A 119 13.590 -0.887 -5.256 1.00 0.00 C ATOM 1818 O GLU A 119 13.002 -0.008 -5.886 1.00 0.00 O ATOM 1819 CB GLU A 119 14.936 -0.902 -3.146 1.00 0.00 C ATOM 1820 CG GLU A 119 15.079 -0.003 -1.929 1.00 0.00 C ATOM 1821 CD GLU A 119 14.962 1.467 -2.282 1.00 0.00 C ATOM 1822 OE1 GLU A 119 13.831 1.955 -2.452 1.00 0.00 O ATOM 1823 OE2 GLU A 119 16.011 2.141 -2.401 1.00 0.00 O ATOM 0 H GLU A 119 13.342 -2.724 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 119 12.970 -0.055 -3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.228 -1.916 -2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 119 15.629 -0.567 -3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 119 14.313 -0.261 -1.198 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.044 -0.185 -1.457 1.00 0.00 H new ATOM 1830 N LEU A 120 14.292 -1.849 -5.847 1.00 0.00 N ATOM 1831 CA LEU A 120 14.510 -1.868 -7.295 1.00 0.00 C ATOM 1832 C LEU A 120 13.193 -2.006 -8.055 1.00 0.00 C ATOM 1833 O LEU A 120 13.035 -1.493 -9.160 1.00 0.00 O ATOM 1834 CB LEU A 120 15.441 -3.024 -7.662 1.00 0.00 C ATOM 1835 CG LEU A 120 16.868 -2.904 -7.122 1.00 0.00 C ATOM 1836 CD1 LEU A 120 17.693 -4.113 -7.529 1.00 0.00 C ATOM 1837 CD2 LEU A 120 17.520 -1.621 -7.617 1.00 0.00 C ATOM 0 H LEU A 120 14.721 -2.628 -5.347 1.00 0.00 H new ATOM 0 HA LEU A 120 14.968 -0.921 -7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 120 15.006 -3.952 -7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 120 15.485 -3.104 -8.748 1.00 0.00 H new ATOM 0 HG LEU A 120 16.823 -2.868 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 120 18.705 -4.012 -7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 120 17.237 -5.017 -7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 120 17.730 -4.179 -8.616 1.00 0.00 H new ATOM 0 HD21 LEU A 120 18.534 -1.553 -7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 120 17.554 -1.627 -8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 120 16.940 -0.763 -7.277 1.00 0.00 H new ATOM 1849 N VAL A 121 12.254 -2.675 -7.424 1.00 0.00 N ATOM 1850 CA VAL A 121 10.974 -3.004 -8.019 1.00 0.00 C ATOM 1851 C VAL A 121 10.020 -1.808 -7.991 1.00 0.00 C ATOM 1852 O VAL A 121 9.291 -1.571 -8.951 1.00 0.00 O ATOM 1853 CB VAL A 121 10.374 -4.231 -7.291 1.00 0.00 C ATOM 1854 CG1 VAL A 121 8.884 -4.370 -7.502 1.00 0.00 C ATOM 1855 CG2 VAL A 121 11.080 -5.498 -7.747 1.00 0.00 C ATOM 0 H VAL A 121 12.358 -3.012 -6.467 1.00 0.00 H new ATOM 0 HA VAL A 121 11.123 -3.256 -9.069 1.00 0.00 H new ATOM 0 HB VAL A 121 10.531 -4.076 -6.224 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.521 -5.248 -6.967 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.379 -3.481 -7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.676 -4.482 -8.566 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.653 -6.358 -7.231 1.00 0.00 H new ATOM 0 HG22 VAL A 121 10.951 -5.619 -8.823 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.143 -5.426 -7.515 1.00 0.00 H new ATOM 1865 N MET A 122 10.042 -1.037 -6.909 1.00 0.00 N ATOM 1866 CA MET A 122 9.228 0.175 -6.835 1.00 0.00 C ATOM 1867 C MET A 122 9.830 1.279 -7.694 1.00 0.00 C ATOM 1868 O MET A 122 9.114 2.132 -8.223 1.00 0.00 O ATOM 1869 CB MET A 122 9.058 0.644 -5.389 1.00 0.00 C ATOM 1870 CG MET A 122 8.028 -0.167 -4.620 1.00 0.00 C ATOM 1871 SD MET A 122 6.400 -0.113 -5.398 1.00 0.00 S ATOM 1872 CE MET A 122 5.485 -1.259 -4.372 1.00 0.00 C ATOM 0 H MET A 122 10.606 -1.224 -6.080 1.00 0.00 H new ATOM 0 HA MET A 122 8.238 -0.063 -7.224 1.00 0.00 H new ATOM 0 HB2 MET A 122 10.018 0.581 -4.877 1.00 0.00 H new ATOM 0 HB3 MET A 122 8.763 1.693 -5.385 1.00 0.00 H new ATOM 0 HG2 MET A 122 8.361 -1.202 -4.550 1.00 0.00 H new ATOM 0 HG3 MET A 122 7.955 0.214 -3.601 1.00 0.00 H new ATOM 0 HE1 MET A 122 4.416 -1.087 -4.499 1.00 0.00 H new ATOM 0 HE2 MET A 122 5.726 -2.281 -4.664 1.00 0.00 H new ATOM 0 HE3 MET A 122 5.755 -1.107 -3.327 1.00 0.00 H new ATOM 1882 N LYS A 123 11.149 1.258 -7.840 1.00 0.00 N ATOM 1883 CA LYS A 123 11.820 2.160 -8.767 1.00 0.00 C ATOM 1884 C LYS A 123 11.484 1.766 -10.200 1.00 0.00 C ATOM 1885 O LYS A 123 11.314 2.622 -11.069 1.00 0.00 O ATOM 1886 CB LYS A 123 13.337 2.148 -8.548 1.00 0.00 C ATOM 1887 CG LYS A 123 13.834 3.209 -7.571 1.00 0.00 C ATOM 1888 CD LYS A 123 13.237 3.042 -6.181 1.00 0.00 C ATOM 1889 CE LYS A 123 13.716 4.132 -5.237 1.00 0.00 C ATOM 1890 NZ LYS A 123 13.133 3.988 -3.878 1.00 0.00 N ATOM 0 H LYS A 123 11.772 0.630 -7.332 1.00 0.00 H new ATOM 0 HA LYS A 123 11.466 3.174 -8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 123 13.633 1.165 -8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 123 13.833 2.293 -9.508 1.00 0.00 H new ATOM 0 HG2 LYS A 123 14.921 3.158 -7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 123 13.584 4.198 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 123 12.149 3.067 -6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 123 13.511 2.066 -5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 123 14.803 4.101 -5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 123 13.449 5.107 -5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 13.472 4.761 -3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 12.096 4.026 -3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 13.422 3.076 -3.471 1.00 0.00 H new ATOM 1904 N ALA A 124 11.368 0.463 -10.430 1.00 0.00 N ATOM 1905 CA ALA A 124 10.958 -0.059 -11.727 1.00 0.00 C ATOM 1906 C ALA A 124 9.498 0.278 -12.005 1.00 0.00 C ATOM 1907 O ALA A 124 9.097 0.451 -13.155 1.00 0.00 O ATOM 1908 CB ALA A 124 11.172 -1.564 -11.781 1.00 0.00 C ATOM 0 H ALA A 124 11.554 -0.255 -9.730 1.00 0.00 H new ATOM 0 HA ALA A 124 11.571 0.410 -12.496 1.00 0.00 H new ATOM 0 HB1 ALA A 124 10.862 -1.941 -12.755 1.00 0.00 H new ATOM 0 HB2 ALA A 124 12.227 -1.787 -11.625 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.581 -2.044 -11.001 1.00 0.00 H new ATOM 1914 N ALA A 125 8.709 0.380 -10.940 1.00 0.00 N ATOM 1915 CA ALA A 125 7.299 0.722 -11.055 1.00 0.00 C ATOM 1916 C ALA A 125 7.117 2.192 -11.424 1.00 0.00 C ATOM 1917 O ALA A 125 6.025 2.619 -11.794 1.00 0.00 O ATOM 1918 CB ALA A 125 6.578 0.406 -9.754 1.00 0.00 C ATOM 0 H ALA A 125 9.027 0.229 -9.983 1.00 0.00 H new ATOM 0 HA ALA A 125 6.866 0.121 -11.855 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.524 0.665 -9.850 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.672 -0.658 -9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 125 7.021 0.984 -8.943 1.00 0.00 H new ATOM 1924 N GLY A 126 8.194 2.962 -11.309 1.00 0.00 N ATOM 1925 CA GLY A 126 8.153 4.364 -11.680 1.00 0.00 C ATOM 1926 C GLY A 126 7.432 5.215 -10.657 1.00 0.00 C ATOM 1927 O GLY A 126 6.870 6.261 -10.990 1.00 0.00 O ATOM 0 H GLY A 126 9.098 2.638 -10.964 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.171 4.734 -11.802 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.658 4.466 -12.646 1.00 0.00 H new ATOM 1931 N PHE A 127 7.444 4.770 -9.409 1.00 0.00 N ATOM 1932 CA PHE A 127 6.789 5.502 -8.337 1.00 0.00 C ATOM 1933 C PHE A 127 7.776 6.440 -7.657 1.00 0.00 C ATOM 1934 O PHE A 127 8.981 6.185 -7.649 1.00 0.00 O ATOM 1935 CB PHE A 127 6.191 4.536 -7.312 1.00 0.00 C ATOM 1936 CG PHE A 127 5.124 3.637 -7.873 1.00 0.00 C ATOM 1937 CD1 PHE A 127 4.258 4.092 -8.855 1.00 0.00 C ATOM 1938 CD2 PHE A 127 4.981 2.341 -7.410 1.00 0.00 C ATOM 1939 CE1 PHE A 127 3.271 3.270 -9.362 1.00 0.00 C ATOM 1940 CE2 PHE A 127 3.995 1.514 -7.914 1.00 0.00 C ATOM 1941 CZ PHE A 127 3.139 1.980 -8.892 1.00 0.00 C ATOM 0 H PHE A 127 7.900 3.906 -9.115 1.00 0.00 H new ATOM 0 HA PHE A 127 5.982 6.093 -8.769 1.00 0.00 H new ATOM 0 HB2 PHE A 127 6.990 3.921 -6.898 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.771 5.111 -6.487 1.00 0.00 H new ATOM 0 HD1 PHE A 127 4.356 5.101 -9.228 1.00 0.00 H new ATOM 0 HD2 PHE A 127 5.648 1.971 -6.645 1.00 0.00 H new ATOM 0 HE1 PHE A 127 2.602 3.637 -10.127 1.00 0.00 H new ATOM 0 HE2 PHE A 127 3.894 0.505 -7.543 1.00 0.00 H new ATOM 0 HZ PHE A 127 2.368 1.336 -9.288 1.00 0.00 H new ATOM 1951 N LYS A 128 7.263 7.519 -7.077 1.00 0.00 N ATOM 1952 CA LYS A 128 8.113 8.510 -6.438 1.00 0.00 C ATOM 1953 C LYS A 128 8.062 8.359 -4.926 1.00 0.00 C ATOM 1954 O LYS A 128 6.988 8.409 -4.316 1.00 0.00 O ATOM 1955 CB LYS A 128 7.720 9.935 -6.859 1.00 0.00 C ATOM 1956 CG LYS A 128 6.240 10.265 -6.697 1.00 0.00 C ATOM 1957 CD LYS A 128 5.948 11.703 -7.106 1.00 0.00 C ATOM 1958 CE LYS A 128 4.456 12.012 -7.102 1.00 0.00 C ATOM 1959 NZ LYS A 128 3.863 11.942 -5.738 1.00 0.00 N ATOM 0 H LYS A 128 6.265 7.727 -7.037 1.00 0.00 H new ATOM 0 HA LYS A 128 9.138 8.339 -6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 128 8.302 10.646 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 128 7.998 10.080 -7.903 1.00 0.00 H new ATOM 0 HG2 LYS A 128 5.644 9.583 -7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 128 5.942 10.111 -5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 128 6.460 12.383 -6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 128 6.352 11.885 -8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 128 4.293 13.008 -7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 128 3.941 11.308 -7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 2.855 12.193 -5.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 3.963 10.976 -5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 4.357 12.608 -5.110 1.00 0.00 H new ATOM 1973 N GLU A 129 9.222 8.144 -4.326 1.00 0.00 N ATOM 1974 CA GLU A 129 9.308 8.004 -2.886 1.00 0.00 C ATOM 1975 C GLU A 129 9.341 9.371 -2.222 1.00 0.00 C ATOM 1976 O GLU A 129 10.016 10.291 -2.689 1.00 0.00 O ATOM 1977 CB GLU A 129 10.539 7.192 -2.472 1.00 0.00 C ATOM 1978 CG GLU A 129 11.862 7.812 -2.893 1.00 0.00 C ATOM 1979 CD GLU A 129 13.038 7.223 -2.146 1.00 0.00 C ATOM 1980 OE1 GLU A 129 13.548 6.170 -2.565 1.00 0.00 O ATOM 1981 OE2 GLU A 129 13.453 7.812 -1.128 1.00 0.00 O ATOM 0 H GLU A 129 10.114 8.063 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 129 8.421 7.465 -2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 129 10.535 7.072 -1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.464 6.194 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 129 12.005 7.665 -3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 129 11.827 8.888 -2.721 1.00 0.00 H new ATOM 1988 N VAL A 130 8.602 9.502 -1.138 1.00 0.00 N ATOM 1989 CA VAL A 130 8.583 10.737 -0.381 1.00 0.00 C ATOM 1990 C VAL A 130 9.367 10.553 0.911 1.00 0.00 C ATOM 1991 O VAL A 130 9.495 11.480 1.709 1.00 0.00 O ATOM 1992 CB VAL A 130 7.136 11.194 -0.070 1.00 0.00 C ATOM 1993 CG1 VAL A 130 6.379 11.482 -1.358 1.00 0.00 C ATOM 1994 CG2 VAL A 130 6.398 10.154 0.762 1.00 0.00 C ATOM 0 H VAL A 130 8.005 8.766 -0.761 1.00 0.00 H new ATOM 0 HA VAL A 130 9.049 11.515 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 130 7.192 12.113 0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 130 5.364 11.802 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 130 6.888 12.272 -1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 130 6.341 10.579 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 130 5.385 10.502 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 130 6.355 9.213 0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 130 6.925 10.001 1.704 1.00 0.00 H new ATOM 2004 N LYS A 131 9.913 9.343 1.079 1.00 0.00 N ATOM 2005 CA LYS A 131 10.619 8.950 2.296 1.00 0.00 C ATOM 2006 C LYS A 131 9.669 9.023 3.485 1.00 0.00 C ATOM 2007 O LYS A 131 9.009 8.045 3.802 1.00 0.00 O ATOM 2008 CB LYS A 131 11.867 9.816 2.506 1.00 0.00 C ATOM 2009 CG LYS A 131 12.934 9.589 1.445 1.00 0.00 C ATOM 2010 CD LYS A 131 13.996 10.676 1.468 1.00 0.00 C ATOM 2011 CE LYS A 131 15.147 10.362 0.521 1.00 0.00 C ATOM 2012 NZ LYS A 131 14.686 10.114 -0.874 1.00 0.00 N ATOM 0 H LYS A 131 9.876 8.610 0.371 1.00 0.00 H new ATOM 0 HA LYS A 131 10.961 7.920 2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 131 11.578 10.867 2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 131 12.289 9.604 3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 131 13.404 8.619 1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 131 12.467 9.559 0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 131 13.546 11.629 1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 131 14.380 10.788 2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 131 15.853 11.192 0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 131 15.684 9.485 0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 15.459 10.323 -1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 14.403 9.118 -0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 13.873 10.728 -1.085 1.00 0.00 H new