USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 790 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 102 LYS NZ :NH3+ 167:sc= 2.43 (180deg=1.07) USER MOD Set 1.2: A 103 HIS : no HE2:sc= 0.265 K(o=2.7,f=-5.9!) USER MOD Set 2.1: A 60 ASN : amide:sc= 0.222 K(o=0.22,f=-4.3!) USER MOD Set 2.2: A 63 THR OG1 : rot 180:sc=-0.00226 USER MOD Set 3.1: A 7 THR OG1 : rot -110:sc= 0.748 USER MOD Set 3.2: A 9 GLN : amide:sc= 0.853 K(o=1.6,f=1.1) USER MOD Single : A 5 LYS NZ :NH3+ 156:sc= 1.13 (180deg=0.754) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00122 USER MOD Single : A 15 THR OG1 : rot -83:sc= 1.22 USER MOD Single : A 16 SER OG : rot 109:sc= 1.27 USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 1.99 (180deg=1.44) USER MOD Single : A 34 MET CE :methyl -169:sc= -0.111 (180deg=-0.387) USER MOD Single : A 44 GLN : amide:sc= 0.17 X(o=0.17,f=0) USER MOD Single : A 46 MET CE :methyl 167:sc= -0.0257 (180deg=-0.369) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= 2.38 (180deg=2.31) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 1.09 K(o=1.1,f=-0.047) USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.19) USER MOD Single : A 67 TYR OH : rot -152:sc= 0.0684 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 131:sc= 1.26 USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.23) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 12:sc= 0.644 USER MOD Single : A 91 LYS NZ :NH3+ -175:sc= 1.68 (180deg=1.57) USER MOD Single : A 93 LYS NZ :NH3+ 172:sc= 2.53 (180deg=2.36) USER MOD Single : A 97 GLN : amide:sc= 1.44 K(o=1.4,f=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 30 N ILE A 3 6.220 2.055 1.110 1.00 0.00 N ATOM 31 CA ILE A 3 7.178 2.687 1.994 1.00 0.00 C ATOM 32 C ILE A 3 6.561 3.968 2.559 1.00 0.00 C ATOM 33 O ILE A 3 5.928 4.747 1.841 1.00 0.00 O ATOM 34 CB ILE A 3 8.487 2.887 1.218 1.00 0.00 C ATOM 35 CG1 ILE A 3 9.052 1.516 0.765 1.00 0.00 C ATOM 36 CG2 ILE A 3 9.548 3.633 2.049 1.00 0.00 C ATOM 37 CD1 ILE A 3 9.748 1.633 -0.586 1.00 0.00 C ATOM 0 HA ILE A 3 7.423 2.071 2.859 1.00 0.00 H new ATOM 0 HB ILE A 3 8.255 3.500 0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.756 1.144 1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.243 0.789 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.456 3.751 1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.167 4.615 2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.773 3.062 2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.135 0.658 -0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.035 1.982 -1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.572 2.343 -0.511 1.00 0.00 H new ATOM 49 N VAL A 4 6.777 4.176 3.854 1.00 0.00 N ATOM 50 CA VAL A 4 6.222 5.245 4.666 1.00 0.00 C ATOM 51 C VAL A 4 7.368 5.758 5.554 1.00 0.00 C ATOM 52 O VAL A 4 8.363 5.057 5.774 1.00 0.00 O ATOM 53 CB VAL A 4 5.025 4.697 5.494 1.00 0.00 C ATOM 54 CG1 VAL A 4 4.172 5.824 6.099 1.00 0.00 C ATOM 55 CG2 VAL A 4 4.068 3.779 4.705 1.00 0.00 C ATOM 0 H VAL A 4 7.384 3.561 4.396 1.00 0.00 H new ATOM 0 HA VAL A 4 5.832 6.067 4.066 1.00 0.00 H new ATOM 0 HB VAL A 4 5.511 4.109 6.273 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.349 5.392 6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.789 6.433 6.760 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.772 6.447 5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.264 3.443 5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.646 4.330 3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.618 2.914 4.333 1.00 0.00 H new ATOM 65 N LYS A 5 7.223 6.969 6.092 1.00 0.00 N ATOM 66 CA LYS A 5 8.155 7.609 7.018 1.00 0.00 C ATOM 67 C LYS A 5 7.311 8.032 8.211 1.00 0.00 C ATOM 68 O LYS A 5 6.228 8.593 8.029 1.00 0.00 O ATOM 69 CB LYS A 5 8.875 8.769 6.304 1.00 0.00 C ATOM 70 CG LYS A 5 10.392 8.838 6.581 1.00 0.00 C ATOM 71 CD LYS A 5 10.818 9.040 8.043 1.00 0.00 C ATOM 72 CE LYS A 5 9.971 10.136 8.688 1.00 0.00 C ATOM 73 NZ LYS A 5 10.391 10.474 10.072 1.00 0.00 N ATOM 0 H LYS A 5 6.416 7.557 5.884 1.00 0.00 H new ATOM 0 HA LYS A 5 8.955 6.955 7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.717 8.674 5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.418 9.710 6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.846 7.916 6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.809 9.653 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.703 8.108 8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.873 9.310 8.089 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.023 11.034 8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.929 9.818 8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.086 11.442 10.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.955 9.807 10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.426 10.411 10.146 1.00 0.00 H new ATOM 87 N ALA A 6 7.794 7.736 9.416 1.00 0.00 N ATOM 88 CA ALA A 6 7.027 7.877 10.652 1.00 0.00 C ATOM 89 C ALA A 6 7.909 8.364 11.805 1.00 0.00 C ATOM 90 O ALA A 6 9.129 8.493 11.666 1.00 0.00 O ATOM 91 CB ALA A 6 6.386 6.520 10.993 1.00 0.00 C ATOM 0 H ALA A 6 8.741 7.387 9.563 1.00 0.00 H new ATOM 0 HA ALA A 6 6.250 8.627 10.506 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.810 6.611 11.914 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.726 6.215 10.181 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.167 5.772 11.126 1.00 0.00 H new ATOM 97 N THR A 7 7.266 8.619 12.941 1.00 0.00 N ATOM 98 CA THR A 7 7.866 8.870 14.244 1.00 0.00 C ATOM 99 C THR A 7 7.023 8.109 15.269 1.00 0.00 C ATOM 100 O THR A 7 5.927 7.650 14.934 1.00 0.00 O ATOM 101 CB THR A 7 7.875 10.375 14.579 1.00 0.00 C ATOM 102 OG1 THR A 7 6.622 10.976 14.302 1.00 0.00 O ATOM 103 CG2 THR A 7 8.946 11.161 13.828 1.00 0.00 C ATOM 0 H THR A 7 6.247 8.658 12.976 1.00 0.00 H new ATOM 0 HA THR A 7 8.904 8.538 14.252 1.00 0.00 H new ATOM 0 HB THR A 7 8.097 10.418 15.645 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.709 11.573 13.530 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.893 12.212 14.113 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.930 10.766 14.079 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.780 11.068 12.755 1.00 0.00 H new ATOM 111 N ASP A 8 7.459 8.037 16.529 1.00 0.00 N ATOM 112 CA ASP A 8 6.693 7.420 17.624 1.00 0.00 C ATOM 113 C ASP A 8 5.247 7.932 17.719 1.00 0.00 C ATOM 114 O ASP A 8 4.352 7.204 18.147 1.00 0.00 O ATOM 115 CB ASP A 8 7.382 7.674 18.966 1.00 0.00 C ATOM 116 CG ASP A 8 6.678 6.917 20.107 1.00 0.00 C ATOM 117 OD1 ASP A 8 6.717 5.665 20.129 1.00 0.00 O ATOM 118 OD2 ASP A 8 6.106 7.578 21.004 1.00 0.00 O ATOM 0 H ASP A 8 8.362 8.408 16.825 1.00 0.00 H new ATOM 0 HA ASP A 8 6.658 6.354 17.398 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.424 7.361 18.907 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.382 8.743 19.181 1.00 0.00 H new ATOM 123 N GLN A 9 5.019 9.174 17.275 1.00 0.00 N ATOM 124 CA GLN A 9 3.717 9.835 17.220 1.00 0.00 C ATOM 125 C GLN A 9 2.672 9.026 16.434 1.00 0.00 C ATOM 126 O GLN A 9 1.484 9.095 16.760 1.00 0.00 O ATOM 127 CB GLN A 9 3.873 11.222 16.569 1.00 0.00 C ATOM 128 CG GLN A 9 4.895 12.135 17.269 1.00 0.00 C ATOM 129 CD GLN A 9 5.025 13.478 16.546 1.00 0.00 C ATOM 130 OE1 GLN A 9 4.545 14.509 17.014 1.00 0.00 O ATOM 131 NE2 GLN A 9 5.673 13.499 15.392 1.00 0.00 N ATOM 0 H GLN A 9 5.773 9.769 16.930 1.00 0.00 H new ATOM 0 HA GLN A 9 3.359 9.924 18.246 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.172 11.091 15.529 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.903 11.719 16.562 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.589 12.303 18.302 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.866 11.641 17.301 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.067 12.638 15.013 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.778 14.376 14.882 1.00 0.00 H new ATOM 140 N SER A 10 3.104 8.266 15.422 1.00 0.00 N ATOM 141 CA SER A 10 2.220 7.598 14.462 1.00 0.00 C ATOM 142 C SER A 10 2.685 6.182 14.102 1.00 0.00 C ATOM 143 O SER A 10 1.928 5.437 13.482 1.00 0.00 O ATOM 144 CB SER A 10 2.110 8.455 13.190 1.00 0.00 C ATOM 145 OG SER A 10 1.768 9.804 13.490 1.00 0.00 O ATOM 0 H SER A 10 4.094 8.095 15.244 1.00 0.00 H new ATOM 0 HA SER A 10 1.245 7.494 14.938 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.058 8.431 12.652 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.357 8.028 12.528 1.00 0.00 H new ATOM 0 HG SER A 10 1.708 10.319 12.658 1.00 0.00 H new ATOM 151 N PHE A 11 3.896 5.781 14.501 1.00 0.00 N ATOM 152 CA PHE A 11 4.484 4.485 14.180 1.00 0.00 C ATOM 153 C PHE A 11 3.553 3.340 14.574 1.00 0.00 C ATOM 154 O PHE A 11 3.368 2.403 13.797 1.00 0.00 O ATOM 155 CB PHE A 11 5.841 4.373 14.890 1.00 0.00 C ATOM 156 CG PHE A 11 6.593 3.090 14.611 1.00 0.00 C ATOM 157 CD1 PHE A 11 7.399 2.993 13.463 1.00 0.00 C ATOM 158 CD2 PHE A 11 6.503 2.000 15.499 1.00 0.00 C ATOM 159 CE1 PHE A 11 8.130 1.822 13.212 1.00 0.00 C ATOM 160 CE2 PHE A 11 7.226 0.825 15.239 1.00 0.00 C ATOM 161 CZ PHE A 11 8.045 0.737 14.102 1.00 0.00 C ATOM 0 H PHE A 11 4.507 6.367 15.071 1.00 0.00 H new ATOM 0 HA PHE A 11 4.632 4.410 13.103 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.464 5.216 14.591 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.682 4.459 15.965 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.456 3.822 12.773 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.879 2.068 16.378 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.758 1.754 12.336 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.152 -0.014 15.916 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.609 -0.164 13.911 1.00 0.00 H new ATOM 171 N SER A 12 2.921 3.427 15.746 1.00 0.00 N ATOM 172 CA SER A 12 2.005 2.407 16.234 1.00 0.00 C ATOM 173 C SER A 12 0.775 2.261 15.333 1.00 0.00 C ATOM 174 O SER A 12 0.304 1.146 15.107 1.00 0.00 O ATOM 175 CB SER A 12 1.602 2.741 17.675 1.00 0.00 C ATOM 176 OG SER A 12 2.745 3.081 18.450 1.00 0.00 O ATOM 0 H SER A 12 3.035 4.215 16.384 1.00 0.00 H new ATOM 0 HA SER A 12 2.515 1.444 16.215 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.895 3.571 17.677 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.093 1.887 18.123 1.00 0.00 H new ATOM 0 HG SER A 12 2.468 3.293 19.366 1.00 0.00 H new ATOM 182 N ALA A 13 0.268 3.368 14.784 1.00 0.00 N ATOM 183 CA ALA A 13 -0.856 3.342 13.864 1.00 0.00 C ATOM 184 C ALA A 13 -0.432 2.713 12.539 1.00 0.00 C ATOM 185 O ALA A 13 -1.141 1.860 12.006 1.00 0.00 O ATOM 186 CB ALA A 13 -1.411 4.756 13.652 1.00 0.00 C ATOM 0 H ALA A 13 0.630 4.304 14.969 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.651 2.733 14.294 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.252 4.717 12.960 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.745 5.163 14.607 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.631 5.395 13.239 1.00 0.00 H new ATOM 192 N GLU A 14 0.740 3.097 12.028 1.00 0.00 N ATOM 193 CA GLU A 14 1.259 2.582 10.767 1.00 0.00 C ATOM 194 C GLU A 14 1.498 1.075 10.863 1.00 0.00 C ATOM 195 O GLU A 14 1.159 0.340 9.941 1.00 0.00 O ATOM 196 CB GLU A 14 2.554 3.308 10.358 1.00 0.00 C ATOM 197 CG GLU A 14 2.354 4.784 9.976 1.00 0.00 C ATOM 198 CD GLU A 14 1.336 4.998 8.839 1.00 0.00 C ATOM 199 OE1 GLU A 14 1.277 4.170 7.903 1.00 0.00 O ATOM 200 OE2 GLU A 14 0.597 6.009 8.874 1.00 0.00 O ATOM 0 H GLU A 14 1.354 3.775 12.480 1.00 0.00 H new ATOM 0 HA GLU A 14 0.512 2.769 9.996 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.265 3.251 11.182 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.001 2.783 9.514 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.024 5.336 10.856 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.313 5.206 9.677 1.00 0.00 H new ATOM 207 N THR A 15 2.029 0.596 11.988 1.00 0.00 N ATOM 208 CA THR A 15 2.320 -0.812 12.212 1.00 0.00 C ATOM 209 C THR A 15 1.072 -1.644 12.542 1.00 0.00 C ATOM 210 O THR A 15 1.187 -2.858 12.732 1.00 0.00 O ATOM 211 CB THR A 15 3.446 -0.948 13.249 1.00 0.00 C ATOM 212 OG1 THR A 15 3.199 -0.195 14.415 1.00 0.00 O ATOM 213 CG2 THR A 15 4.792 -0.503 12.664 1.00 0.00 C ATOM 0 H THR A 15 2.272 1.190 12.781 1.00 0.00 H new ATOM 0 HA THR A 15 2.676 -1.241 11.276 1.00 0.00 H new ATOM 0 HB THR A 15 3.481 -2.005 13.514 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.473 0.734 14.268 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.570 -0.610 13.420 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.036 -1.123 11.801 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.727 0.540 12.355 1.00 0.00 H new ATOM 221 N SER A 16 -0.117 -1.033 12.554 1.00 0.00 N ATOM 222 CA SER A 16 -1.382 -1.694 12.844 1.00 0.00 C ATOM 223 C SER A 16 -2.205 -1.905 11.564 1.00 0.00 C ATOM 224 O SER A 16 -3.435 -1.868 11.598 1.00 0.00 O ATOM 225 CB SER A 16 -2.140 -0.925 13.935 1.00 0.00 C ATOM 226 OG SER A 16 -1.397 -0.887 15.138 1.00 0.00 O ATOM 0 H SER A 16 -0.223 -0.038 12.356 1.00 0.00 H new ATOM 0 HA SER A 16 -1.186 -2.692 13.236 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.341 0.091 13.596 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.105 -1.398 14.114 1.00 0.00 H new ATOM 0 HG SER A 16 -1.059 0.021 15.285 1.00 0.00 H new ATOM 232 N GLU A 17 -1.533 -2.129 10.429 1.00 0.00 N ATOM 233 CA GLU A 17 -2.165 -2.310 9.120 1.00 0.00 C ATOM 234 C GLU A 17 -1.606 -3.560 8.420 1.00 0.00 C ATOM 235 O GLU A 17 -1.155 -3.505 7.274 1.00 0.00 O ATOM 236 CB GLU A 17 -2.069 -1.028 8.267 1.00 0.00 C ATOM 237 CG GLU A 17 -2.785 0.174 8.903 1.00 0.00 C ATOM 238 CD GLU A 17 -3.066 1.296 7.886 1.00 0.00 C ATOM 239 OE1 GLU A 17 -2.119 1.802 7.241 1.00 0.00 O ATOM 240 OE2 GLU A 17 -4.245 1.689 7.728 1.00 0.00 O ATOM 0 H GLU A 17 -0.515 -2.190 10.396 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.231 -2.486 9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.019 -0.778 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.498 -1.220 7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.726 -0.158 9.343 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.175 0.568 9.716 1.00 0.00 H new ATOM 247 N GLY A 18 -1.615 -4.693 9.129 1.00 0.00 N ATOM 248 CA GLY A 18 -1.140 -5.976 8.622 1.00 0.00 C ATOM 249 C GLY A 18 0.290 -6.206 9.089 1.00 0.00 C ATOM 250 O GLY A 18 0.695 -5.653 10.116 1.00 0.00 O ATOM 0 H GLY A 18 -1.959 -4.741 10.088 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.784 -6.781 8.977 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.185 -5.988 7.533 1.00 0.00 H new ATOM 254 N VAL A 19 1.042 -7.043 8.373 1.00 0.00 N ATOM 255 CA VAL A 19 2.484 -7.141 8.583 1.00 0.00 C ATOM 256 C VAL A 19 3.098 -5.848 8.046 1.00 0.00 C ATOM 257 O VAL A 19 2.750 -5.388 6.953 1.00 0.00 O ATOM 258 CB VAL A 19 3.096 -8.385 7.907 1.00 0.00 C ATOM 259 CG1 VAL A 19 4.618 -8.447 8.134 1.00 0.00 C ATOM 260 CG2 VAL A 19 2.485 -9.673 8.479 1.00 0.00 C ATOM 0 H VAL A 19 0.677 -7.659 7.647 1.00 0.00 H new ATOM 0 HA VAL A 19 2.699 -7.262 9.645 1.00 0.00 H new ATOM 0 HB VAL A 19 2.881 -8.305 6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.023 -9.334 7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.085 -7.557 7.713 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.825 -8.494 9.203 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.932 -10.537 7.987 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.680 -9.724 9.550 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.409 -9.673 8.306 1.00 0.00 H new ATOM 270 N VAL A 20 4.037 -5.288 8.799 1.00 0.00 N ATOM 271 CA VAL A 20 4.732 -4.057 8.489 1.00 0.00 C ATOM 272 C VAL A 20 6.197 -4.301 8.837 1.00 0.00 C ATOM 273 O VAL A 20 6.498 -4.871 9.887 1.00 0.00 O ATOM 274 CB VAL A 20 4.103 -2.896 9.287 1.00 0.00 C ATOM 275 CG1 VAL A 20 4.781 -1.560 8.946 1.00 0.00 C ATOM 276 CG2 VAL A 20 2.589 -2.791 9.019 1.00 0.00 C ATOM 0 H VAL A 20 4.344 -5.702 9.679 1.00 0.00 H new ATOM 0 HA VAL A 20 4.653 -3.775 7.439 1.00 0.00 H new ATOM 0 HB VAL A 20 4.258 -3.110 10.344 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.318 -0.759 9.523 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.842 -1.617 9.191 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.665 -1.354 7.882 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.174 -1.964 9.595 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.419 -2.615 7.957 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.102 -3.720 9.315 1.00 0.00 H new ATOM 286 N LEU A 21 7.108 -3.884 7.962 1.00 0.00 N ATOM 287 CA LEU A 21 8.540 -4.099 8.112 1.00 0.00 C ATOM 288 C LEU A 21 9.147 -2.715 8.321 1.00 0.00 C ATOM 289 O LEU A 21 9.262 -1.917 7.389 1.00 0.00 O ATOM 290 CB LEU A 21 9.062 -4.870 6.884 1.00 0.00 C ATOM 291 CG LEU A 21 10.483 -5.456 7.002 1.00 0.00 C ATOM 292 CD1 LEU A 21 10.879 -6.074 5.657 1.00 0.00 C ATOM 293 CD2 LEU A 21 11.569 -4.460 7.419 1.00 0.00 C ATOM 0 H LEU A 21 6.864 -3.377 7.112 1.00 0.00 H new ATOM 0 HA LEU A 21 8.816 -4.719 8.965 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.371 -5.686 6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.038 -4.201 6.024 1.00 0.00 H new ATOM 0 HG LEU A 21 10.429 -6.193 7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.883 -6.492 5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.175 -6.865 5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.861 -5.306 4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.530 -4.971 7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.626 -3.656 6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.325 -4.043 8.396 1.00 0.00 H new ATOM 305 N ALA A 22 9.429 -2.382 9.576 1.00 0.00 N ATOM 306 CA ALA A 22 10.017 -1.111 9.936 1.00 0.00 C ATOM 307 C ALA A 22 11.528 -1.183 9.751 1.00 0.00 C ATOM 308 O ALA A 22 12.135 -2.220 10.022 1.00 0.00 O ATOM 309 CB ALA A 22 9.678 -0.792 11.386 1.00 0.00 C ATOM 0 H ALA A 22 9.252 -2.995 10.372 1.00 0.00 H new ATOM 0 HA ALA A 22 9.619 -0.323 9.297 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.120 0.166 11.661 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.596 -0.739 11.503 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.076 -1.574 12.033 1.00 0.00 H new ATOM 315 N ASP A 23 12.131 -0.061 9.365 1.00 0.00 N ATOM 316 CA ASP A 23 13.545 0.093 9.054 1.00 0.00 C ATOM 317 C ASP A 23 14.077 1.258 9.883 1.00 0.00 C ATOM 318 O ASP A 23 13.909 2.431 9.538 1.00 0.00 O ATOM 319 CB ASP A 23 13.753 0.314 7.550 1.00 0.00 C ATOM 320 CG ASP A 23 15.200 0.734 7.229 1.00 0.00 C ATOM 321 OD1 ASP A 23 16.145 0.162 7.816 1.00 0.00 O ATOM 322 OD2 ASP A 23 15.387 1.606 6.351 1.00 0.00 O ATOM 0 H ASP A 23 11.615 0.812 9.256 1.00 0.00 H new ATOM 0 HA ASP A 23 14.095 -0.813 9.306 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.512 -0.602 7.011 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.065 1.082 7.197 1.00 0.00 H new ATOM 327 N PHE A 24 14.629 0.910 11.040 1.00 0.00 N ATOM 328 CA PHE A 24 15.280 1.816 11.964 1.00 0.00 C ATOM 329 C PHE A 24 16.626 2.161 11.340 1.00 0.00 C ATOM 330 O PHE A 24 17.478 1.279 11.164 1.00 0.00 O ATOM 331 CB PHE A 24 15.412 1.156 13.349 1.00 0.00 C ATOM 332 CG PHE A 24 14.092 1.049 14.099 1.00 0.00 C ATOM 333 CD1 PHE A 24 13.067 0.199 13.634 1.00 0.00 C ATOM 334 CD2 PHE A 24 13.860 1.846 15.239 1.00 0.00 C ATOM 335 CE1 PHE A 24 11.813 0.194 14.264 1.00 0.00 C ATOM 336 CE2 PHE A 24 12.603 1.837 15.867 1.00 0.00 C ATOM 337 CZ PHE A 24 11.570 1.029 15.364 1.00 0.00 C ATOM 0 H PHE A 24 14.632 -0.055 11.369 1.00 0.00 H new ATOM 0 HA PHE A 24 14.707 2.729 12.127 1.00 0.00 H new ATOM 0 HB2 PHE A 24 15.834 0.158 13.228 1.00 0.00 H new ATOM 0 HB3 PHE A 24 16.117 1.730 13.950 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.248 -0.450 12.790 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.652 2.466 15.631 1.00 0.00 H new ATOM 0 HE1 PHE A 24 11.031 -0.456 13.900 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.431 2.452 16.738 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.592 1.051 15.823 1.00 0.00 H new ATOM 347 N TRP A 25 16.782 3.434 10.972 1.00 0.00 N ATOM 348 CA TRP A 25 17.911 3.949 10.211 1.00 0.00 C ATOM 349 C TRP A 25 18.148 5.413 10.608 1.00 0.00 C ATOM 350 O TRP A 25 17.476 5.919 11.502 1.00 0.00 O ATOM 351 CB TRP A 25 17.649 3.739 8.699 1.00 0.00 C ATOM 352 CG TRP A 25 17.490 4.949 7.820 1.00 0.00 C ATOM 353 CD1 TRP A 25 18.412 5.421 6.949 1.00 0.00 C ATOM 354 CD2 TRP A 25 16.386 5.902 7.769 1.00 0.00 C ATOM 355 NE1 TRP A 25 17.925 6.549 6.323 1.00 0.00 N ATOM 356 CE2 TRP A 25 16.699 6.920 6.822 1.00 0.00 C ATOM 357 CE3 TRP A 25 15.165 6.028 8.457 1.00 0.00 C ATOM 358 CZ2 TRP A 25 15.845 8.002 6.567 1.00 0.00 C ATOM 359 CZ3 TRP A 25 14.299 7.114 8.217 1.00 0.00 C ATOM 360 CH2 TRP A 25 14.637 8.099 7.274 1.00 0.00 C ATOM 0 H TRP A 25 16.100 4.156 11.206 1.00 0.00 H new ATOM 0 HA TRP A 25 18.830 3.409 10.438 1.00 0.00 H new ATOM 0 HB2 TRP A 25 18.472 3.146 8.300 1.00 0.00 H new ATOM 0 HB3 TRP A 25 16.745 3.137 8.600 1.00 0.00 H new ATOM 0 HD1 TRP A 25 19.382 4.981 6.771 1.00 0.00 H new ATOM 0 HE1 TRP A 25 18.415 7.047 5.580 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.886 5.278 9.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 16.113 8.751 5.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.369 7.189 8.762 1.00 0.00 H new ATOM 0 HH2 TRP A 25 13.969 8.928 7.094 1.00 0.00 H new ATOM 371 N ALA A 26 19.107 6.092 9.977 1.00 0.00 N ATOM 372 CA ALA A 26 19.284 7.536 10.041 1.00 0.00 C ATOM 373 C ALA A 26 19.970 7.934 8.731 1.00 0.00 C ATOM 374 O ALA A 26 20.782 7.147 8.239 1.00 0.00 O ATOM 375 CB ALA A 26 20.154 7.928 11.242 1.00 0.00 C ATOM 0 H ALA A 26 19.803 5.633 9.389 1.00 0.00 H new ATOM 0 HA ALA A 26 18.328 8.045 10.166 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.272 9.011 11.268 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.676 7.593 12.162 1.00 0.00 H new ATOM 0 HB3 ALA A 26 21.134 7.459 11.150 1.00 0.00 H new ATOM 381 N PRO A 27 19.724 9.119 8.147 1.00 0.00 N ATOM 382 CA PRO A 27 20.394 9.527 6.912 1.00 0.00 C ATOM 383 C PRO A 27 21.922 9.579 6.996 1.00 0.00 C ATOM 384 O PRO A 27 22.585 9.549 5.960 1.00 0.00 O ATOM 385 CB PRO A 27 19.818 10.893 6.540 1.00 0.00 C ATOM 386 CG PRO A 27 18.483 10.947 7.282 1.00 0.00 C ATOM 387 CD PRO A 27 18.721 10.098 8.531 1.00 0.00 C ATOM 0 HA PRO A 27 20.204 8.772 6.149 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.479 11.702 6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 27 19.680 10.988 5.463 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.211 11.970 7.541 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.672 10.545 6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.069 10.711 9.362 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.801 9.611 8.856 1.00 0.00 H new ATOM 395 N TRP A 28 22.501 9.630 8.198 1.00 0.00 N ATOM 396 CA TRP A 28 23.950 9.613 8.390 1.00 0.00 C ATOM 397 C TRP A 28 24.544 8.214 8.153 1.00 0.00 C ATOM 398 O TRP A 28 25.764 8.069 8.044 1.00 0.00 O ATOM 399 CB TRP A 28 24.301 10.132 9.793 1.00 0.00 C ATOM 400 CG TRP A 28 23.295 11.074 10.384 1.00 0.00 C ATOM 401 CD1 TRP A 28 22.429 10.735 11.357 1.00 0.00 C ATOM 402 CD2 TRP A 28 22.941 12.438 9.995 1.00 0.00 C ATOM 403 NE1 TRP A 28 21.553 11.771 11.593 1.00 0.00 N ATOM 404 CE2 TRP A 28 21.822 12.853 10.781 1.00 0.00 C ATOM 405 CE3 TRP A 28 23.430 13.353 9.039 1.00 0.00 C ATOM 406 CZ2 TRP A 28 21.227 14.115 10.628 1.00 0.00 C ATOM 407 CZ3 TRP A 28 22.842 14.624 8.881 1.00 0.00 C ATOM 408 CH2 TRP A 28 21.744 15.006 9.672 1.00 0.00 C ATOM 0 H TRP A 28 21.973 9.685 9.069 1.00 0.00 H new ATOM 0 HA TRP A 28 24.395 10.275 7.648 1.00 0.00 H new ATOM 0 HB2 TRP A 28 24.417 9.279 10.462 1.00 0.00 H new ATOM 0 HB3 TRP A 28 25.267 10.635 9.748 1.00 0.00 H new ATOM 0 HD1 TRP A 28 22.422 9.788 11.877 1.00 0.00 H new ATOM 0 HE1 TRP A 28 20.801 11.742 12.281 1.00 0.00 H new ATOM 0 HE3 TRP A 28 24.269 13.075 8.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 20.382 14.398 11.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 23.238 15.310 8.147 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.299 15.982 9.545 1.00 0.00 H new ATOM 419 N CYS A 29 23.691 7.182 8.115 1.00 0.00 N ATOM 420 CA CYS A 29 24.066 5.784 7.987 1.00 0.00 C ATOM 421 C CYS A 29 24.751 5.516 6.641 1.00 0.00 C ATOM 422 O CYS A 29 24.439 6.163 5.636 1.00 0.00 O ATOM 423 CB CYS A 29 22.797 4.934 8.118 1.00 0.00 C ATOM 424 SG CYS A 29 23.041 3.147 8.242 1.00 0.00 S ATOM 0 H CYS A 29 22.681 7.313 8.176 1.00 0.00 H new ATOM 0 HA CYS A 29 24.778 5.525 8.771 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.251 5.267 9.001 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.161 5.134 7.256 1.00 0.00 H new ATOM 429 N GLY A 30 25.616 4.500 6.609 1.00 0.00 N ATOM 430 CA GLY A 30 26.229 3.975 5.393 1.00 0.00 C ATOM 431 C GLY A 30 25.523 2.699 4.930 1.00 0.00 C ATOM 432 O GLY A 30 24.872 2.735 3.886 1.00 0.00 O ATOM 0 H GLY A 30 25.915 4.009 7.451 1.00 0.00 H new ATOM 0 HA2 GLY A 30 26.183 4.727 4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 30 27.283 3.766 5.574 1.00 0.00 H new ATOM 436 N PRO A 31 25.551 1.586 5.694 1.00 0.00 N ATOM 437 CA PRO A 31 24.986 0.312 5.237 1.00 0.00 C ATOM 438 C PRO A 31 23.476 0.367 4.974 1.00 0.00 C ATOM 439 O PRO A 31 22.981 -0.361 4.114 1.00 0.00 O ATOM 440 CB PRO A 31 25.367 -0.732 6.294 1.00 0.00 C ATOM 441 CG PRO A 31 25.754 0.086 7.526 1.00 0.00 C ATOM 442 CD PRO A 31 26.282 1.391 6.939 1.00 0.00 C ATOM 0 HA PRO A 31 25.398 0.049 4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 31 24.533 -1.401 6.509 1.00 0.00 H new ATOM 0 HB3 PRO A 31 26.196 -1.354 5.955 1.00 0.00 H new ATOM 0 HG2 PRO A 31 24.898 0.257 8.179 1.00 0.00 H new ATOM 0 HG3 PRO A 31 26.513 -0.421 8.122 1.00 0.00 H new ATOM 0 HD2 PRO A 31 26.118 2.223 7.624 1.00 0.00 H new ATOM 0 HD3 PRO A 31 27.355 1.333 6.758 1.00 0.00 H new ATOM 450 N CYS A 32 22.742 1.268 5.636 1.00 0.00 N ATOM 451 CA CYS A 32 21.321 1.491 5.376 1.00 0.00 C ATOM 452 C CYS A 32 21.065 1.858 3.906 1.00 0.00 C ATOM 453 O CYS A 32 20.052 1.466 3.327 1.00 0.00 O ATOM 454 CB CYS A 32 20.786 2.607 6.279 1.00 0.00 C ATOM 455 SG CYS A 32 21.140 2.461 8.056 1.00 0.00 S ATOM 0 H CYS A 32 23.122 1.865 6.371 1.00 0.00 H new ATOM 0 HA CYS A 32 20.799 0.559 5.593 1.00 0.00 H new ATOM 0 HB2 CYS A 32 21.195 3.554 5.927 1.00 0.00 H new ATOM 0 HB3 CYS A 32 19.705 2.659 6.151 1.00 0.00 H new ATOM 460 N LYS A 33 21.993 2.587 3.276 1.00 0.00 N ATOM 461 CA LYS A 33 21.866 3.004 1.884 1.00 0.00 C ATOM 462 C LYS A 33 21.942 1.802 0.939 1.00 0.00 C ATOM 463 O LYS A 33 21.408 1.878 -0.164 1.00 0.00 O ATOM 464 CB LYS A 33 22.948 4.045 1.533 1.00 0.00 C ATOM 465 CG LYS A 33 23.067 5.226 2.517 1.00 0.00 C ATOM 466 CD LYS A 33 21.842 6.158 2.548 1.00 0.00 C ATOM 467 CE LYS A 33 21.884 7.160 3.719 1.00 0.00 C ATOM 468 NZ LYS A 33 23.163 7.904 3.807 1.00 0.00 N ATOM 0 H LYS A 33 22.854 2.903 3.723 1.00 0.00 H new ATOM 0 HA LYS A 33 20.887 3.466 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.912 3.539 1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.740 4.441 0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.233 4.832 3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.948 5.813 2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.785 6.707 1.608 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.936 5.557 2.622 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.065 7.871 3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.718 6.624 4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.040 8.734 4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.898 7.285 4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.449 8.216 2.857 1.00 0.00 H new ATOM 482 N MET A 34 22.576 0.698 1.356 1.00 0.00 N ATOM 483 CA MET A 34 22.658 -0.518 0.559 1.00 0.00 C ATOM 484 C MET A 34 21.304 -1.223 0.521 1.00 0.00 C ATOM 485 O MET A 34 20.895 -1.699 -0.535 1.00 0.00 O ATOM 486 CB MET A 34 23.713 -1.489 1.115 1.00 0.00 C ATOM 487 CG MET A 34 25.101 -0.864 1.305 1.00 0.00 C ATOM 488 SD MET A 34 26.415 -2.026 1.787 1.00 0.00 S ATOM 489 CE MET A 34 25.627 -2.933 3.152 1.00 0.00 C ATOM 0 H MET A 34 23.045 0.630 2.259 1.00 0.00 H new ATOM 0 HA MET A 34 22.951 -0.224 -0.449 1.00 0.00 H new ATOM 0 HB2 MET A 34 23.366 -1.876 2.073 1.00 0.00 H new ATOM 0 HB3 MET A 34 23.799 -2.341 0.440 1.00 0.00 H new ATOM 0 HG2 MET A 34 25.393 -0.376 0.375 1.00 0.00 H new ATOM 0 HG3 MET A 34 25.030 -0.085 2.064 1.00 0.00 H new ATOM 0 HE1 MET A 34 26.374 -3.536 3.668 1.00 0.00 H new ATOM 0 HE2 MET A 34 25.186 -2.224 3.853 1.00 0.00 H new ATOM 0 HE3 MET A 34 24.848 -3.583 2.755 1.00 0.00 H new ATOM 499 N ILE A 35 20.609 -1.303 1.661 1.00 0.00 N ATOM 500 CA ILE A 35 19.354 -2.042 1.769 1.00 0.00 C ATOM 501 C ILE A 35 18.157 -1.201 1.298 1.00 0.00 C ATOM 502 O ILE A 35 17.153 -1.778 0.898 1.00 0.00 O ATOM 503 CB ILE A 35 19.190 -2.652 3.185 1.00 0.00 C ATOM 504 CG1 ILE A 35 18.060 -3.706 3.212 1.00 0.00 C ATOM 505 CG2 ILE A 35 19.008 -1.572 4.261 1.00 0.00 C ATOM 506 CD1 ILE A 35 17.961 -4.474 4.535 1.00 0.00 C ATOM 0 H ILE A 35 20.903 -0.857 2.530 1.00 0.00 H new ATOM 0 HA ILE A 35 19.386 -2.890 1.084 1.00 0.00 H new ATOM 0 HB ILE A 35 20.118 -3.170 3.428 1.00 0.00 H new ATOM 0 HG12 ILE A 35 17.109 -3.210 3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 35 18.220 -4.417 2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 35 18.897 -2.045 5.237 1.00 0.00 H new ATOM 0 HG22 ILE A 35 19.880 -0.919 4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 35 18.117 -0.984 4.039 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.146 -5.195 4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 35 18.898 -5.000 4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 35 17.769 -3.774 5.348 1.00 0.00 H new ATOM 518 N ALA A 36 18.241 0.135 1.282 1.00 0.00 N ATOM 519 CA ALA A 36 17.159 0.995 0.797 1.00 0.00 C ATOM 520 C ALA A 36 16.618 0.588 -0.596 1.00 0.00 C ATOM 521 O ALA A 36 15.409 0.358 -0.708 1.00 0.00 O ATOM 522 CB ALA A 36 17.591 2.466 0.856 1.00 0.00 C ATOM 0 H ALA A 36 19.061 0.648 1.605 1.00 0.00 H new ATOM 0 HA ALA A 36 16.310 0.857 1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.780 3.098 0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.828 2.735 1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.472 2.612 0.231 1.00 0.00 H new ATOM 528 N PRO A 37 17.442 0.413 -1.652 1.00 0.00 N ATOM 529 CA PRO A 37 16.933 -0.043 -2.943 1.00 0.00 C ATOM 530 C PRO A 37 16.412 -1.483 -2.887 1.00 0.00 C ATOM 531 O PRO A 37 15.507 -1.832 -3.642 1.00 0.00 O ATOM 532 CB PRO A 37 18.088 0.117 -3.937 1.00 0.00 C ATOM 533 CG PRO A 37 19.332 0.062 -3.054 1.00 0.00 C ATOM 534 CD PRO A 37 18.860 0.722 -1.761 1.00 0.00 C ATOM 0 HA PRO A 37 16.071 0.549 -3.250 1.00 0.00 H new ATOM 0 HB2 PRO A 37 18.089 -0.679 -4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.023 1.060 -4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.664 -0.963 -2.887 1.00 0.00 H new ATOM 0 HG3 PRO A 37 20.169 0.600 -3.500 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.411 0.338 -0.902 1.00 0.00 H new ATOM 0 HD3 PRO A 37 19.024 1.799 -1.789 1.00 0.00 H new ATOM 542 N VAL A 38 16.932 -2.319 -1.989 1.00 0.00 N ATOM 543 CA VAL A 38 16.438 -3.673 -1.792 1.00 0.00 C ATOM 544 C VAL A 38 15.025 -3.621 -1.186 1.00 0.00 C ATOM 545 O VAL A 38 14.162 -4.384 -1.613 1.00 0.00 O ATOM 546 CB VAL A 38 17.437 -4.500 -0.952 1.00 0.00 C ATOM 547 CG1 VAL A 38 17.032 -5.973 -0.890 1.00 0.00 C ATOM 548 CG2 VAL A 38 18.856 -4.446 -1.540 1.00 0.00 C ATOM 0 H VAL A 38 17.710 -2.071 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 38 16.357 -4.186 -2.750 1.00 0.00 H new ATOM 0 HB VAL A 38 17.424 -4.058 0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.757 -6.525 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 38 16.045 -6.060 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 38 17.005 -6.386 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.529 -5.040 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.846 -4.848 -2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.201 -3.412 -1.563 1.00 0.00 H new ATOM 558 N LEU A 39 14.746 -2.701 -0.253 1.00 0.00 N ATOM 559 CA LEU A 39 13.398 -2.470 0.261 1.00 0.00 C ATOM 560 C LEU A 39 12.480 -1.931 -0.830 1.00 0.00 C ATOM 561 O LEU A 39 11.313 -2.312 -0.870 1.00 0.00 O ATOM 562 CB LEU A 39 13.422 -1.508 1.461 1.00 0.00 C ATOM 563 CG LEU A 39 14.006 -2.161 2.724 1.00 0.00 C ATOM 564 CD1 LEU A 39 14.388 -1.091 3.751 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.020 -3.150 3.364 1.00 0.00 C ATOM 0 H LEU A 39 15.454 -2.097 0.165 1.00 0.00 H new ATOM 0 HA LEU A 39 13.005 -3.430 0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.011 -0.627 1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.408 -1.165 1.668 1.00 0.00 H new ATOM 0 HG LEU A 39 14.895 -2.713 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.800 -1.570 4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.134 -0.423 3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.503 -0.518 4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.471 -3.589 4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.107 -2.624 3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.782 -3.939 2.651 1.00 0.00 H new ATOM 577 N GLU A 40 12.982 -1.088 -1.734 1.00 0.00 N ATOM 578 CA GLU A 40 12.200 -0.667 -2.897 1.00 0.00 C ATOM 579 C GLU A 40 11.878 -1.859 -3.810 1.00 0.00 C ATOM 580 O GLU A 40 10.774 -1.958 -4.348 1.00 0.00 O ATOM 581 CB GLU A 40 12.893 0.461 -3.677 1.00 0.00 C ATOM 582 CG GLU A 40 12.887 1.788 -2.907 1.00 0.00 C ATOM 583 CD GLU A 40 13.535 2.919 -3.726 1.00 0.00 C ATOM 584 OE1 GLU A 40 12.837 3.554 -4.551 1.00 0.00 O ATOM 585 OE2 GLU A 40 14.739 3.205 -3.541 1.00 0.00 O ATOM 0 H GLU A 40 13.918 -0.686 -1.684 1.00 0.00 H new ATOM 0 HA GLU A 40 11.258 -0.266 -2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.922 0.173 -3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.393 0.597 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.862 2.060 -2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.423 1.666 -1.966 1.00 0.00 H new ATOM 592 N GLU A 41 12.803 -2.797 -3.996 1.00 0.00 N ATOM 593 CA GLU A 41 12.513 -4.014 -4.742 1.00 0.00 C ATOM 594 C GLU A 41 11.496 -4.879 -3.992 1.00 0.00 C ATOM 595 O GLU A 41 10.632 -5.485 -4.618 1.00 0.00 O ATOM 596 CB GLU A 41 13.792 -4.797 -5.060 1.00 0.00 C ATOM 597 CG GLU A 41 14.608 -4.112 -6.167 1.00 0.00 C ATOM 598 CD GLU A 41 15.849 -4.935 -6.546 1.00 0.00 C ATOM 599 OE1 GLU A 41 15.690 -5.971 -7.231 1.00 0.00 O ATOM 600 OE2 GLU A 41 16.985 -4.548 -6.189 1.00 0.00 O ATOM 0 H GLU A 41 13.757 -2.736 -3.641 1.00 0.00 H new ATOM 0 HA GLU A 41 12.070 -3.726 -5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.400 -4.885 -4.159 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.533 -5.809 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.981 -3.971 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.916 -3.121 -5.833 1.00 0.00 H new ATOM 607 N LEU A 42 11.553 -4.900 -2.659 1.00 0.00 N ATOM 608 CA LEU A 42 10.607 -5.630 -1.822 1.00 0.00 C ATOM 609 C LEU A 42 9.195 -5.045 -2.002 1.00 0.00 C ATOM 610 O LEU A 42 8.233 -5.787 -2.207 1.00 0.00 O ATOM 611 CB LEU A 42 11.067 -5.567 -0.346 1.00 0.00 C ATOM 612 CG LEU A 42 10.734 -6.797 0.518 1.00 0.00 C ATOM 613 CD1 LEU A 42 10.890 -6.427 1.996 1.00 0.00 C ATOM 614 CD2 LEU A 42 9.333 -7.361 0.304 1.00 0.00 C ATOM 0 H LEU A 42 12.267 -4.403 -2.127 1.00 0.00 H new ATOM 0 HA LEU A 42 10.575 -6.678 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.147 -5.417 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.616 -4.689 0.117 1.00 0.00 H new ATOM 0 HG LEU A 42 11.432 -7.576 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.656 -7.293 2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.916 -6.112 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 42 10.209 -5.612 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.185 -8.224 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.593 -6.597 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.218 -7.665 -0.736 1.00 0.00 H new ATOM 626 N ASP A 43 9.074 -3.710 -1.995 1.00 0.00 N ATOM 627 CA ASP A 43 7.843 -2.976 -2.305 1.00 0.00 C ATOM 628 C ASP A 43 7.292 -3.410 -3.660 1.00 0.00 C ATOM 629 O ASP A 43 6.124 -3.775 -3.796 1.00 0.00 O ATOM 630 CB ASP A 43 8.127 -1.461 -2.325 1.00 0.00 C ATOM 631 CG ASP A 43 6.901 -0.582 -2.600 1.00 0.00 C ATOM 632 OD1 ASP A 43 5.749 -1.056 -2.563 1.00 0.00 O ATOM 633 OD2 ASP A 43 7.078 0.641 -2.790 1.00 0.00 O ATOM 0 H ASP A 43 9.855 -3.094 -1.766 1.00 0.00 H new ATOM 0 HA ASP A 43 7.103 -3.197 -1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.555 -1.173 -1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.881 -1.257 -3.085 1.00 0.00 H new ATOM 638 N GLN A 44 8.166 -3.450 -4.663 1.00 0.00 N ATOM 639 CA GLN A 44 7.789 -3.809 -6.022 1.00 0.00 C ATOM 640 C GLN A 44 7.386 -5.293 -6.162 1.00 0.00 C ATOM 641 O GLN A 44 6.882 -5.681 -7.217 1.00 0.00 O ATOM 642 CB GLN A 44 8.908 -3.388 -6.984 1.00 0.00 C ATOM 643 CG GLN A 44 8.996 -1.852 -7.065 1.00 0.00 C ATOM 644 CD GLN A 44 10.258 -1.410 -7.803 1.00 0.00 C ATOM 645 OE1 GLN A 44 10.263 -1.212 -9.016 1.00 0.00 O ATOM 646 NE2 GLN A 44 11.355 -1.257 -7.082 1.00 0.00 N ATOM 0 H GLN A 44 9.157 -3.233 -4.553 1.00 0.00 H new ATOM 0 HA GLN A 44 6.885 -3.262 -6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.860 -3.796 -6.645 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.719 -3.801 -7.975 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.116 -1.461 -7.577 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.993 -1.431 -6.059 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.332 -1.426 -6.076 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.225 -0.970 -7.531 1.00 0.00 H new ATOM 655 N GLU A 45 7.571 -6.118 -5.124 1.00 0.00 N ATOM 656 CA GLU A 45 7.301 -7.549 -5.136 1.00 0.00 C ATOM 657 C GLU A 45 6.083 -7.918 -4.279 1.00 0.00 C ATOM 658 O GLU A 45 5.307 -8.778 -4.702 1.00 0.00 O ATOM 659 CB GLU A 45 8.582 -8.298 -4.730 1.00 0.00 C ATOM 660 CG GLU A 45 9.573 -8.270 -5.908 1.00 0.00 C ATOM 661 CD GLU A 45 10.962 -8.864 -5.616 1.00 0.00 C ATOM 662 OE1 GLU A 45 11.136 -9.624 -4.636 1.00 0.00 O ATOM 663 OE2 GLU A 45 11.887 -8.604 -6.422 1.00 0.00 O ATOM 0 H GLU A 45 7.925 -5.790 -4.225 1.00 0.00 H new ATOM 0 HA GLU A 45 7.029 -7.859 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.028 -7.832 -3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.347 -9.328 -4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.133 -8.813 -6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.699 -7.236 -6.230 1.00 0.00 H new ATOM 670 N MET A 46 5.850 -7.262 -3.133 1.00 0.00 N ATOM 671 CA MET A 46 4.698 -7.532 -2.274 1.00 0.00 C ATOM 672 C MET A 46 4.121 -6.305 -1.568 1.00 0.00 C ATOM 673 O MET A 46 3.438 -6.460 -0.559 1.00 0.00 O ATOM 674 CB MET A 46 5.060 -8.624 -1.268 1.00 0.00 C ATOM 675 CG MET A 46 6.202 -8.271 -0.314 1.00 0.00 C ATOM 676 SD MET A 46 6.315 -9.303 1.176 1.00 0.00 S ATOM 677 CE MET A 46 6.062 -10.967 0.504 1.00 0.00 C ATOM 0 H MET A 46 6.461 -6.526 -2.778 1.00 0.00 H new ATOM 0 HA MET A 46 3.898 -7.869 -2.933 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.175 -8.862 -0.678 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.330 -9.527 -1.816 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.144 -8.343 -0.858 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.090 -7.231 -0.008 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.333 -11.708 1.256 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.015 -11.093 0.230 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.687 -11.102 -0.379 1.00 0.00 H new ATOM 687 N GLY A 47 4.330 -5.089 -2.069 1.00 0.00 N ATOM 688 CA GLY A 47 3.778 -3.868 -1.482 1.00 0.00 C ATOM 689 C GLY A 47 2.243 -3.804 -1.426 1.00 0.00 C ATOM 690 O GLY A 47 1.685 -2.862 -0.865 1.00 0.00 O ATOM 0 H GLY A 47 4.893 -4.921 -2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.167 -3.763 -0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.141 -3.013 -2.053 1.00 0.00 H new ATOM 694 N ASP A 48 1.550 -4.786 -2.008 1.00 0.00 N ATOM 695 CA ASP A 48 0.110 -4.981 -1.866 1.00 0.00 C ATOM 696 C ASP A 48 -0.233 -5.647 -0.526 1.00 0.00 C ATOM 697 O ASP A 48 -1.272 -5.354 0.067 1.00 0.00 O ATOM 698 CB ASP A 48 -0.412 -5.849 -3.016 1.00 0.00 C ATOM 699 CG ASP A 48 -1.925 -6.096 -2.886 1.00 0.00 C ATOM 700 OD1 ASP A 48 -2.716 -5.153 -3.110 1.00 0.00 O ATOM 701 OD2 ASP A 48 -2.331 -7.243 -2.599 1.00 0.00 O ATOM 0 H ASP A 48 1.990 -5.485 -2.607 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.367 -4.001 -1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.201 -5.361 -3.968 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.115 -6.803 -3.023 1.00 0.00 H new ATOM 706 N LYS A 49 0.649 -6.526 -0.032 1.00 0.00 N ATOM 707 CA LYS A 49 0.504 -7.229 1.243 1.00 0.00 C ATOM 708 C LYS A 49 1.252 -6.494 2.351 1.00 0.00 C ATOM 709 O LYS A 49 0.797 -6.488 3.496 1.00 0.00 O ATOM 710 CB LYS A 49 1.062 -8.664 1.119 1.00 0.00 C ATOM 711 CG LYS A 49 0.385 -9.538 0.047 1.00 0.00 C ATOM 712 CD LYS A 49 -1.137 -9.701 0.195 1.00 0.00 C ATOM 713 CE LYS A 49 -1.529 -10.342 1.535 1.00 0.00 C ATOM 714 NZ LYS A 49 -2.994 -10.561 1.644 1.00 0.00 N ATOM 0 H LYS A 49 1.507 -6.773 -0.525 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.556 -7.266 1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.128 -8.605 0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.964 -9.160 2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.594 -9.109 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.843 -10.527 0.066 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.614 -8.725 0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.515 -10.314 -0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.012 -11.295 1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.197 -9.702 2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.213 -10.995 2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.488 -9.649 1.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.308 -11.192 0.880 1.00 0.00 H new ATOM 728 N LEU A 50 2.394 -5.892 2.021 1.00 0.00 N ATOM 729 CA LEU A 50 3.338 -5.332 2.980 1.00 0.00 C ATOM 730 C LEU A 50 3.273 -3.801 3.013 1.00 0.00 C ATOM 731 O LEU A 50 2.974 -3.164 2.005 1.00 0.00 O ATOM 732 CB LEU A 50 4.747 -5.802 2.560 1.00 0.00 C ATOM 733 CG LEU A 50 5.903 -5.320 3.454 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.758 -5.816 4.897 1.00 0.00 C ATOM 735 CD2 LEU A 50 7.235 -5.783 2.868 1.00 0.00 C ATOM 0 H LEU A 50 2.694 -5.779 1.053 1.00 0.00 H new ATOM 0 HA LEU A 50 3.092 -5.675 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.756 -6.892 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.934 -5.464 1.541 1.00 0.00 H new ATOM 0 HG LEU A 50 5.872 -4.231 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.595 -5.452 5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.824 -5.443 5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.751 -6.906 4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.051 -5.440 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.250 -6.872 2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.356 -5.369 1.867 1.00 0.00 H new ATOM 747 N LYS A 51 3.631 -3.218 4.159 1.00 0.00 N ATOM 748 CA LYS A 51 3.925 -1.796 4.345 1.00 0.00 C ATOM 749 C LYS A 51 5.357 -1.770 4.882 1.00 0.00 C ATOM 750 O LYS A 51 5.730 -2.655 5.656 1.00 0.00 O ATOM 751 CB LYS A 51 2.928 -1.154 5.328 1.00 0.00 C ATOM 752 CG LYS A 51 3.169 0.357 5.544 1.00 0.00 C ATOM 753 CD LYS A 51 2.516 0.890 6.827 1.00 0.00 C ATOM 754 CE LYS A 51 0.986 0.902 6.783 1.00 0.00 C ATOM 755 NZ LYS A 51 0.419 2.156 6.249 1.00 0.00 N ATOM 0 H LYS A 51 3.728 -3.750 5.024 1.00 0.00 H new ATOM 0 HA LYS A 51 3.831 -1.221 3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.914 -1.304 4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.994 -1.666 6.288 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.242 0.547 5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.779 0.908 4.688 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.841 0.280 7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.873 1.903 7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.642 0.068 6.171 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.601 0.739 7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.607 2.173 6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.862 2.968 6.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.602 2.212 5.227 1.00 0.00 H new ATOM 769 N ILE A 52 6.155 -0.778 4.509 1.00 0.00 N ATOM 770 CA ILE A 52 7.532 -0.631 4.960 1.00 0.00 C ATOM 771 C ILE A 52 7.573 0.728 5.659 1.00 0.00 C ATOM 772 O ILE A 52 7.002 1.688 5.146 1.00 0.00 O ATOM 773 CB ILE A 52 8.505 -0.771 3.761 1.00 0.00 C ATOM 774 CG1 ILE A 52 8.365 -2.159 3.083 1.00 0.00 C ATOM 775 CG2 ILE A 52 9.961 -0.520 4.196 1.00 0.00 C ATOM 776 CD1 ILE A 52 9.210 -2.356 1.815 1.00 0.00 C ATOM 0 H ILE A 52 5.857 -0.039 3.872 1.00 0.00 H new ATOM 0 HA ILE A 52 7.855 -1.406 5.655 1.00 0.00 H new ATOM 0 HB ILE A 52 8.235 -0.011 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.639 -2.928 3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.317 -2.318 2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.621 -0.625 3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.051 0.488 4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.243 -1.245 4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.042 -3.357 1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.923 -1.616 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.266 -2.235 2.059 1.00 0.00 H new ATOM 788 N VAL A 53 8.206 0.838 6.828 1.00 0.00 N ATOM 789 CA VAL A 53 8.147 2.063 7.636 1.00 0.00 C ATOM 790 C VAL A 53 9.571 2.459 8.022 1.00 0.00 C ATOM 791 O VAL A 53 10.141 1.914 8.966 1.00 0.00 O ATOM 792 CB VAL A 53 7.189 1.871 8.837 1.00 0.00 C ATOM 793 CG1 VAL A 53 7.163 3.100 9.760 1.00 0.00 C ATOM 794 CG2 VAL A 53 5.744 1.634 8.371 1.00 0.00 C ATOM 0 H VAL A 53 8.768 0.093 7.240 1.00 0.00 H new ATOM 0 HA VAL A 53 7.727 2.893 7.068 1.00 0.00 H new ATOM 0 HB VAL A 53 7.570 1.004 9.376 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.477 2.919 10.588 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.164 3.283 10.151 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.829 3.971 9.196 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.098 1.503 9.239 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.403 2.492 7.791 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.704 0.738 7.751 1.00 0.00 H new ATOM 804 N LYS A 54 10.167 3.404 7.294 1.00 0.00 N ATOM 805 CA LYS A 54 11.463 3.956 7.680 1.00 0.00 C ATOM 806 C LYS A 54 11.239 4.826 8.916 1.00 0.00 C ATOM 807 O LYS A 54 10.259 5.577 8.966 1.00 0.00 O ATOM 808 CB LYS A 54 12.082 4.768 6.528 1.00 0.00 C ATOM 809 CG LYS A 54 12.251 3.939 5.244 1.00 0.00 C ATOM 810 CD LYS A 54 13.040 4.680 4.153 1.00 0.00 C ATOM 811 CE LYS A 54 12.322 5.950 3.671 1.00 0.00 C ATOM 812 NZ LYS A 54 13.059 6.630 2.576 1.00 0.00 N ATOM 0 H LYS A 54 9.775 3.800 6.440 1.00 0.00 H new ATOM 0 HA LYS A 54 12.167 3.155 7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.452 5.632 6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.054 5.151 6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.761 3.006 5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.267 3.673 4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.024 4.946 4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.199 4.012 3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.321 5.691 3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.203 6.638 4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.538 7.481 2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.005 6.902 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.151 5.984 1.766 1.00 0.00 H new ATOM 826 N ILE A 55 12.136 4.763 9.897 1.00 0.00 N ATOM 827 CA ILE A 55 12.056 5.577 11.103 1.00 0.00 C ATOM 828 C ILE A 55 13.475 6.003 11.504 1.00 0.00 C ATOM 829 O ILE A 55 14.385 5.175 11.631 1.00 0.00 O ATOM 830 CB ILE A 55 11.224 4.853 12.191 1.00 0.00 C ATOM 831 CG1 ILE A 55 11.060 5.766 13.423 1.00 0.00 C ATOM 832 CG2 ILE A 55 11.765 3.463 12.578 1.00 0.00 C ATOM 833 CD1 ILE A 55 9.931 5.326 14.361 1.00 0.00 C ATOM 0 H ILE A 55 12.944 4.141 9.875 1.00 0.00 H new ATOM 0 HA ILE A 55 11.508 6.504 10.935 1.00 0.00 H new ATOM 0 HB ILE A 55 10.244 4.656 11.755 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.997 5.785 13.979 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.867 6.785 13.088 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.126 3.024 13.345 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.773 2.818 11.699 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.779 3.562 12.964 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.872 6.012 15.206 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.985 5.334 13.820 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.132 4.319 14.725 1.00 0.00 H new ATOM 845 N ASP A 56 13.661 7.324 11.612 1.00 0.00 N ATOM 846 CA ASP A 56 14.957 7.956 11.845 1.00 0.00 C ATOM 847 C ASP A 56 15.248 7.929 13.340 1.00 0.00 C ATOM 848 O ASP A 56 14.601 8.651 14.105 1.00 0.00 O ATOM 849 CB ASP A 56 14.974 9.395 11.311 1.00 0.00 C ATOM 850 CG ASP A 56 16.305 10.131 11.580 1.00 0.00 C ATOM 851 OD1 ASP A 56 17.254 9.537 12.140 1.00 0.00 O ATOM 852 OD2 ASP A 56 16.398 11.317 11.190 1.00 0.00 O ATOM 0 H ASP A 56 12.896 7.994 11.538 1.00 0.00 H new ATOM 0 HA ASP A 56 15.731 7.406 11.310 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.786 9.379 10.237 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.158 9.955 11.769 1.00 0.00 H new ATOM 857 N VAL A 57 16.175 7.077 13.772 1.00 0.00 N ATOM 858 CA VAL A 57 16.481 6.874 15.182 1.00 0.00 C ATOM 859 C VAL A 57 16.954 8.162 15.858 1.00 0.00 C ATOM 860 O VAL A 57 16.764 8.296 17.066 1.00 0.00 O ATOM 861 CB VAL A 57 17.471 5.705 15.383 1.00 0.00 C ATOM 862 CG1 VAL A 57 16.888 4.401 14.821 1.00 0.00 C ATOM 863 CG2 VAL A 57 18.861 5.938 14.770 1.00 0.00 C ATOM 0 H VAL A 57 16.739 6.503 13.145 1.00 0.00 H new ATOM 0 HA VAL A 57 15.553 6.592 15.678 1.00 0.00 H new ATOM 0 HB VAL A 57 17.611 5.634 16.462 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.600 3.589 14.972 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.956 4.167 15.336 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.693 4.519 13.755 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.492 5.069 14.957 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.764 6.091 13.695 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.315 6.820 15.222 1.00 0.00 H new ATOM 873 N ASP A 58 17.511 9.131 15.121 1.00 0.00 N ATOM 874 CA ASP A 58 18.003 10.384 15.703 1.00 0.00 C ATOM 875 C ASP A 58 16.869 11.220 16.310 1.00 0.00 C ATOM 876 O ASP A 58 17.111 12.056 17.180 1.00 0.00 O ATOM 877 CB ASP A 58 18.758 11.205 14.654 1.00 0.00 C ATOM 878 CG ASP A 58 19.381 12.469 15.271 1.00 0.00 C ATOM 879 OD1 ASP A 58 20.317 12.347 16.093 1.00 0.00 O ATOM 880 OD2 ASP A 58 18.977 13.594 14.898 1.00 0.00 O ATOM 0 H ASP A 58 17.633 9.069 14.110 1.00 0.00 H new ATOM 0 HA ASP A 58 18.686 10.118 16.509 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.541 10.593 14.206 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.076 11.488 13.852 1.00 0.00 H new ATOM 885 N GLU A 59 15.623 10.956 15.902 1.00 0.00 N ATOM 886 CA GLU A 59 14.419 11.620 16.397 1.00 0.00 C ATOM 887 C GLU A 59 13.497 10.619 17.113 1.00 0.00 C ATOM 888 O GLU A 59 12.389 10.977 17.517 1.00 0.00 O ATOM 889 CB GLU A 59 13.688 12.290 15.221 1.00 0.00 C ATOM 890 CG GLU A 59 14.515 13.389 14.540 1.00 0.00 C ATOM 891 CD GLU A 59 13.665 14.198 13.543 1.00 0.00 C ATOM 892 OE1 GLU A 59 13.360 13.699 12.437 1.00 0.00 O ATOM 893 OE2 GLU A 59 13.300 15.357 13.853 1.00 0.00 O ATOM 0 H GLU A 59 15.422 10.250 15.194 1.00 0.00 H new ATOM 0 HA GLU A 59 14.704 12.382 17.122 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.428 11.531 14.483 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.752 12.719 15.580 1.00 0.00 H new ATOM 0 HG2 GLU A 59 14.926 14.058 15.296 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.360 12.940 14.019 1.00 0.00 H new ATOM 900 N ASN A 60 13.932 9.362 17.267 1.00 0.00 N ATOM 901 CA ASN A 60 13.098 8.243 17.716 1.00 0.00 C ATOM 902 C ASN A 60 13.895 7.333 18.647 1.00 0.00 C ATOM 903 O ASN A 60 13.785 6.107 18.587 1.00 0.00 O ATOM 904 CB ASN A 60 12.522 7.489 16.505 1.00 0.00 C ATOM 905 CG ASN A 60 11.484 8.326 15.773 1.00 0.00 C ATOM 906 OD1 ASN A 60 10.346 8.458 16.216 1.00 0.00 O ATOM 907 ND2 ASN A 60 11.854 8.905 14.643 1.00 0.00 N ATOM 0 H ASN A 60 14.897 9.090 17.078 1.00 0.00 H new ATOM 0 HA ASN A 60 12.252 8.624 18.287 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.329 7.227 15.820 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.070 6.555 16.838 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.189 9.475 14.120 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.804 8.782 14.294 1.00 0.00 H new ATOM 914 N GLN A 61 14.720 7.936 19.511 1.00 0.00 N ATOM 915 CA GLN A 61 15.489 7.217 20.521 1.00 0.00 C ATOM 916 C GLN A 61 14.567 6.389 21.421 1.00 0.00 C ATOM 917 O GLN A 61 14.937 5.290 21.824 1.00 0.00 O ATOM 918 CB GLN A 61 16.317 8.203 21.362 1.00 0.00 C ATOM 919 CG GLN A 61 17.458 8.861 20.571 1.00 0.00 C ATOM 920 CD GLN A 61 18.565 7.865 20.217 1.00 0.00 C ATOM 921 OE1 GLN A 61 19.397 7.507 21.048 1.00 0.00 O ATOM 922 NE2 GLN A 61 18.595 7.387 18.985 1.00 0.00 N ATOM 0 H GLN A 61 14.870 8.945 19.525 1.00 0.00 H new ATOM 0 HA GLN A 61 16.169 6.534 20.012 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.659 8.979 21.753 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.735 7.677 22.221 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.059 9.298 19.656 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.880 9.678 21.157 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.900 7.691 18.303 1.00 0.00 H new ATOM 0 HE22 GLN A 61 19.313 6.714 18.716 1.00 0.00 H new ATOM 931 N GLU A 62 13.357 6.885 21.709 1.00 0.00 N ATOM 932 CA GLU A 62 12.382 6.166 22.518 1.00 0.00 C ATOM 933 C GLU A 62 11.928 4.894 21.797 1.00 0.00 C ATOM 934 O GLU A 62 11.909 3.823 22.400 1.00 0.00 O ATOM 935 CB GLU A 62 11.181 7.070 22.843 1.00 0.00 C ATOM 936 CG GLU A 62 11.573 8.244 23.752 1.00 0.00 C ATOM 937 CD GLU A 62 10.350 9.095 24.139 1.00 0.00 C ATOM 938 OE1 GLU A 62 9.704 8.808 25.173 1.00 0.00 O ATOM 939 OE2 GLU A 62 10.034 10.077 23.429 1.00 0.00 O ATOM 0 H GLU A 62 13.033 7.796 21.385 1.00 0.00 H new ATOM 0 HA GLU A 62 12.853 5.877 23.458 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.756 7.455 21.916 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.404 6.480 23.328 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.051 7.862 24.654 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.306 8.870 23.243 1.00 0.00 H new ATOM 946 N THR A 63 11.604 4.979 20.504 1.00 0.00 N ATOM 947 CA THR A 63 11.135 3.848 19.718 1.00 0.00 C ATOM 948 C THR A 63 12.261 2.824 19.548 1.00 0.00 C ATOM 949 O THR A 63 12.032 1.628 19.675 1.00 0.00 O ATOM 950 CB THR A 63 10.624 4.341 18.354 1.00 0.00 C ATOM 951 OG1 THR A 63 10.198 5.689 18.429 1.00 0.00 O ATOM 952 CG2 THR A 63 9.469 3.491 17.823 1.00 0.00 C ATOM 0 H THR A 63 11.663 5.848 19.973 1.00 0.00 H new ATOM 0 HA THR A 63 10.311 3.360 20.238 1.00 0.00 H new ATOM 0 HB THR A 63 11.465 4.253 17.666 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.879 5.981 17.549 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.145 3.880 16.858 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.801 2.459 17.705 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.637 3.527 18.527 1.00 0.00 H new ATOM 960 N ALA A 64 13.492 3.280 19.314 1.00 0.00 N ATOM 961 CA ALA A 64 14.671 2.426 19.286 1.00 0.00 C ATOM 962 C ALA A 64 14.825 1.697 20.624 1.00 0.00 C ATOM 963 O ALA A 64 14.936 0.470 20.652 1.00 0.00 O ATOM 964 CB ALA A 64 15.899 3.288 18.951 1.00 0.00 C ATOM 0 H ALA A 64 13.696 4.264 19.137 1.00 0.00 H new ATOM 0 HA ALA A 64 14.569 1.661 18.517 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.789 2.659 18.927 1.00 0.00 H new ATOM 0 HB2 ALA A 64 15.760 3.757 17.977 1.00 0.00 H new ATOM 0 HB3 ALA A 64 16.020 4.060 19.711 1.00 0.00 H new ATOM 970 N GLY A 65 14.752 2.431 21.736 1.00 0.00 N ATOM 971 CA GLY A 65 14.819 1.877 23.084 1.00 0.00 C ATOM 972 C GLY A 65 13.701 0.868 23.357 1.00 0.00 C ATOM 973 O GLY A 65 13.915 -0.093 24.097 1.00 0.00 O ATOM 0 H GLY A 65 14.643 3.445 21.722 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.785 1.392 23.227 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.758 2.688 23.810 1.00 0.00 H new ATOM 977 N LYS A 66 12.541 1.030 22.710 1.00 0.00 N ATOM 978 CA LYS A 66 11.377 0.153 22.822 1.00 0.00 C ATOM 979 C LYS A 66 11.723 -1.305 22.504 1.00 0.00 C ATOM 980 O LYS A 66 11.109 -2.204 23.081 1.00 0.00 O ATOM 981 CB LYS A 66 10.255 0.680 21.920 1.00 0.00 C ATOM 982 CG LYS A 66 8.895 0.429 22.584 1.00 0.00 C ATOM 983 CD LYS A 66 7.724 0.948 21.752 1.00 0.00 C ATOM 984 CE LYS A 66 7.715 2.479 21.595 1.00 0.00 C ATOM 985 NZ LYS A 66 6.546 2.970 20.824 1.00 0.00 N ATOM 0 H LYS A 66 12.385 1.808 22.069 1.00 0.00 H new ATOM 0 HA LYS A 66 11.033 0.163 23.856 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.391 1.746 21.740 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.293 0.185 20.949 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.770 -0.641 22.751 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.880 0.909 23.563 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.759 0.489 20.764 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.790 0.633 22.217 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.714 2.941 22.582 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.632 2.794 21.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.675 3.978 20.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.462 2.429 19.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.681 2.847 21.389 1.00 0.00 H new ATOM 999 N TYR A 67 12.727 -1.539 21.650 1.00 0.00 N ATOM 1000 CA TYR A 67 13.195 -2.883 21.285 1.00 0.00 C ATOM 1001 C TYR A 67 14.694 -3.066 21.569 1.00 0.00 C ATOM 1002 O TYR A 67 15.283 -4.063 21.146 1.00 0.00 O ATOM 1003 CB TYR A 67 12.868 -3.186 19.812 1.00 0.00 C ATOM 1004 CG TYR A 67 11.584 -2.566 19.302 1.00 0.00 C ATOM 1005 CD1 TYR A 67 10.339 -3.178 19.542 1.00 0.00 C ATOM 1006 CD2 TYR A 67 11.643 -1.316 18.661 1.00 0.00 C ATOM 1007 CE1 TYR A 67 9.151 -2.525 19.162 1.00 0.00 C ATOM 1008 CE2 TYR A 67 10.465 -0.654 18.298 1.00 0.00 C ATOM 1009 CZ TYR A 67 9.209 -1.249 18.554 1.00 0.00 C ATOM 1010 OH TYR A 67 8.068 -0.571 18.249 1.00 0.00 O ATOM 0 H TYR A 67 13.244 -0.791 21.187 1.00 0.00 H new ATOM 0 HA TYR A 67 12.663 -3.599 21.912 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.694 -2.836 19.193 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.808 -4.267 19.683 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.295 -4.147 20.017 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.601 -0.865 18.448 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.196 -2.998 19.335 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.516 0.314 17.821 1.00 0.00 H new ATOM 0 HH TYR A 67 8.233 0.021 17.485 1.00 0.00 H new ATOM 1020 N GLY A 68 15.330 -2.115 22.263 1.00 0.00 N ATOM 1021 CA GLY A 68 16.760 -2.135 22.544 1.00 0.00 C ATOM 1022 C GLY A 68 17.619 -2.013 21.280 1.00 0.00 C ATOM 1023 O GLY A 68 18.730 -2.547 21.248 1.00 0.00 O ATOM 0 H GLY A 68 14.853 -1.300 22.649 1.00 0.00 H new ATOM 0 HA2 GLY A 68 17.003 -1.317 23.223 1.00 0.00 H new ATOM 0 HA3 GLY A 68 17.011 -3.062 23.059 1.00 0.00 H new ATOM 1027 N VAL A 69 17.119 -1.348 20.231 1.00 0.00 N ATOM 1028 CA VAL A 69 17.898 -1.028 19.038 1.00 0.00 C ATOM 1029 C VAL A 69 19.059 -0.124 19.479 1.00 0.00 C ATOM 1030 O VAL A 69 18.843 0.879 20.165 1.00 0.00 O ATOM 1031 CB VAL A 69 16.999 -0.361 17.970 1.00 0.00 C ATOM 1032 CG1 VAL A 69 17.774 -0.057 16.681 1.00 0.00 C ATOM 1033 CG2 VAL A 69 15.771 -1.218 17.622 1.00 0.00 C ATOM 0 H VAL A 69 16.155 -1.016 20.190 1.00 0.00 H new ATOM 0 HA VAL A 69 18.301 -1.928 18.573 1.00 0.00 H new ATOM 0 HB VAL A 69 16.659 0.574 18.415 1.00 0.00 H new ATOM 0 HG11 VAL A 69 17.107 0.411 15.957 1.00 0.00 H new ATOM 0 HG12 VAL A 69 18.599 0.619 16.904 1.00 0.00 H new ATOM 0 HG13 VAL A 69 18.167 -0.985 16.265 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.172 -0.707 16.868 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.099 -2.182 17.232 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.170 -1.374 18.518 1.00 0.00 H new ATOM 1043 N MET A 70 20.283 -0.486 19.085 1.00 0.00 N ATOM 1044 CA MET A 70 21.516 0.217 19.450 1.00 0.00 C ATOM 1045 C MET A 70 22.467 0.337 18.241 1.00 0.00 C ATOM 1046 O MET A 70 23.540 0.931 18.350 1.00 0.00 O ATOM 1047 CB MET A 70 22.153 -0.527 20.639 1.00 0.00 C ATOM 1048 CG MET A 70 23.202 0.298 21.396 1.00 0.00 C ATOM 1049 SD MET A 70 23.833 -0.515 22.891 1.00 0.00 S ATOM 1050 CE MET A 70 24.995 0.759 23.456 1.00 0.00 C ATOM 0 H MET A 70 20.448 -1.297 18.488 1.00 0.00 H new ATOM 0 HA MET A 70 21.298 1.241 19.752 1.00 0.00 H new ATOM 0 HB2 MET A 70 21.367 -0.823 21.334 1.00 0.00 H new ATOM 0 HB3 MET A 70 22.618 -1.443 20.275 1.00 0.00 H new ATOM 0 HG2 MET A 70 24.037 0.508 20.728 1.00 0.00 H new ATOM 0 HG3 MET A 70 22.766 1.258 21.672 1.00 0.00 H new ATOM 0 HE1 MET A 70 25.480 0.427 24.374 1.00 0.00 H new ATOM 0 HE2 MET A 70 25.749 0.930 22.688 1.00 0.00 H new ATOM 0 HE3 MET A 70 24.454 1.686 23.646 1.00 0.00 H new ATOM 1060 N SER A 71 22.056 -0.183 17.080 1.00 0.00 N ATOM 1061 CA SER A 71 22.783 -0.173 15.821 1.00 0.00 C ATOM 1062 C SER A 71 21.757 -0.027 14.695 1.00 0.00 C ATOM 1063 O SER A 71 20.565 -0.263 14.917 1.00 0.00 O ATOM 1064 CB SER A 71 23.574 -1.483 15.661 1.00 0.00 C ATOM 1065 OG SER A 71 24.442 -1.720 16.762 1.00 0.00 O ATOM 0 H SER A 71 21.152 -0.648 16.997 1.00 0.00 H new ATOM 0 HA SER A 71 23.494 0.653 15.793 1.00 0.00 H new ATOM 0 HB2 SER A 71 22.879 -2.316 15.562 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.158 -1.444 14.741 1.00 0.00 H new ATOM 0 HG SER A 71 24.925 -2.562 16.623 1.00 0.00 H new ATOM 1071 N ILE A 72 22.202 0.331 13.489 1.00 0.00 N ATOM 1072 CA ILE A 72 21.364 0.452 12.297 1.00 0.00 C ATOM 1073 C ILE A 72 22.171 -0.028 11.068 1.00 0.00 C ATOM 1074 O ILE A 72 23.404 0.020 11.122 1.00 0.00 O ATOM 1075 CB ILE A 72 20.835 1.900 12.130 1.00 0.00 C ATOM 1076 CG1 ILE A 72 21.961 2.956 12.069 1.00 0.00 C ATOM 1077 CG2 ILE A 72 19.815 2.248 13.232 1.00 0.00 C ATOM 1078 CD1 ILE A 72 21.457 4.341 11.651 1.00 0.00 C ATOM 0 H ILE A 72 23.182 0.550 13.311 1.00 0.00 H new ATOM 0 HA ILE A 72 20.482 -0.181 12.399 1.00 0.00 H new ATOM 0 HB ILE A 72 20.331 1.930 11.164 1.00 0.00 H new ATOM 0 HG12 ILE A 72 22.438 3.028 13.046 1.00 0.00 H new ATOM 0 HG13 ILE A 72 22.725 2.625 11.365 1.00 0.00 H new ATOM 0 HG21 ILE A 72 19.461 3.269 13.090 1.00 0.00 H new ATOM 0 HG22 ILE A 72 18.971 1.560 13.177 1.00 0.00 H new ATOM 0 HG23 ILE A 72 20.291 2.161 14.209 1.00 0.00 H new ATOM 0 HD11 ILE A 72 22.293 5.040 11.626 1.00 0.00 H new ATOM 0 HD12 ILE A 72 21.005 4.280 10.661 1.00 0.00 H new ATOM 0 HD13 ILE A 72 20.714 4.689 12.368 1.00 0.00 H new ATOM 1090 N PRO A 73 21.535 -0.479 9.965 1.00 0.00 N ATOM 1091 CA PRO A 73 20.096 -0.662 9.807 1.00 0.00 C ATOM 1092 C PRO A 73 19.603 -1.789 10.712 1.00 0.00 C ATOM 1093 O PRO A 73 20.246 -2.839 10.811 1.00 0.00 O ATOM 1094 CB PRO A 73 19.877 -1.006 8.328 1.00 0.00 C ATOM 1095 CG PRO A 73 21.195 -1.649 7.903 1.00 0.00 C ATOM 1096 CD PRO A 73 22.232 -0.931 8.767 1.00 0.00 C ATOM 0 HA PRO A 73 19.540 0.232 10.088 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.038 -1.689 8.196 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.658 -0.116 7.739 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.195 -2.724 8.085 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.388 -1.505 6.840 1.00 0.00 H new ATOM 0 HD2 PRO A 73 23.052 -1.601 9.025 1.00 0.00 H new ATOM 0 HD3 PRO A 73 22.667 -0.088 8.230 1.00 0.00 H new ATOM 1104 N THR A 74 18.450 -1.581 11.339 1.00 0.00 N ATOM 1105 CA THR A 74 17.799 -2.598 12.156 1.00 0.00 C ATOM 1106 C THR A 74 16.348 -2.673 11.698 1.00 0.00 C ATOM 1107 O THR A 74 15.736 -1.659 11.360 1.00 0.00 O ATOM 1108 CB THR A 74 18.001 -2.280 13.646 1.00 0.00 C ATOM 1109 OG1 THR A 74 19.369 -2.435 13.955 1.00 0.00 O ATOM 1110 CG2 THR A 74 17.215 -3.218 14.564 1.00 0.00 C ATOM 0 H THR A 74 17.939 -0.699 11.294 1.00 0.00 H new ATOM 0 HA THR A 74 18.233 -3.590 12.030 1.00 0.00 H new ATOM 0 HB THR A 74 17.646 -1.263 13.811 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.685 -1.647 14.444 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.396 -2.946 15.604 1.00 0.00 H new ATOM 0 HG22 THR A 74 16.150 -3.132 14.347 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.537 -4.246 14.396 1.00 0.00 H new ATOM 1118 N LEU A 75 15.807 -3.886 11.646 1.00 0.00 N ATOM 1119 CA LEU A 75 14.542 -4.185 11.007 1.00 0.00 C ATOM 1120 C LEU A 75 13.636 -4.816 12.046 1.00 0.00 C ATOM 1121 O LEU A 75 14.037 -5.777 12.707 1.00 0.00 O ATOM 1122 CB LEU A 75 14.762 -5.145 9.826 1.00 0.00 C ATOM 1123 CG LEU A 75 15.748 -4.645 8.752 1.00 0.00 C ATOM 1124 CD1 LEU A 75 15.904 -5.727 7.685 1.00 0.00 C ATOM 1125 CD2 LEU A 75 15.308 -3.333 8.091 1.00 0.00 C ATOM 0 H LEU A 75 16.252 -4.705 12.059 1.00 0.00 H new ATOM 0 HA LEU A 75 14.085 -3.276 10.616 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.124 -6.097 10.214 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.800 -5.339 9.352 1.00 0.00 H new ATOM 0 HG LEU A 75 16.696 -4.441 9.250 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.600 -5.385 6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 75 16.289 -6.638 8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.935 -5.932 7.230 1.00 0.00 H new ATOM 0 HD21 LEU A 75 16.045 -3.036 7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.341 -3.475 7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.225 -2.554 8.849 1.00 0.00 H new ATOM 1137 N LEU A 76 12.425 -4.287 12.188 1.00 0.00 N ATOM 1138 CA LEU A 76 11.449 -4.754 13.166 1.00 0.00 C ATOM 1139 C LEU A 76 10.242 -5.128 12.330 1.00 0.00 C ATOM 1140 O LEU A 76 9.694 -4.276 11.632 1.00 0.00 O ATOM 1141 CB LEU A 76 11.093 -3.648 14.186 1.00 0.00 C ATOM 1142 CG LEU A 76 12.049 -3.392 15.372 1.00 0.00 C ATOM 1143 CD1 LEU A 76 11.979 -4.535 16.384 1.00 0.00 C ATOM 1144 CD2 LEU A 76 13.504 -3.169 14.963 1.00 0.00 C ATOM 0 H LEU A 76 12.089 -3.510 11.618 1.00 0.00 H new ATOM 0 HA LEU A 76 11.827 -5.586 13.760 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.992 -2.712 13.636 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.112 -3.883 14.598 1.00 0.00 H new ATOM 0 HG LEU A 76 11.701 -2.463 15.824 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.661 -4.332 17.210 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.962 -4.621 16.766 1.00 0.00 H new ATOM 0 HD13 LEU A 76 12.264 -5.468 15.899 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.110 -2.996 15.853 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.873 -4.050 14.438 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.568 -2.301 14.306 1.00 0.00 H new ATOM 1156 N VAL A 77 9.843 -6.394 12.358 1.00 0.00 N ATOM 1157 CA VAL A 77 8.622 -6.825 11.703 1.00 0.00 C ATOM 1158 C VAL A 77 7.570 -6.740 12.790 1.00 0.00 C ATOM 1159 O VAL A 77 7.682 -7.410 13.824 1.00 0.00 O ATOM 1160 CB VAL A 77 8.722 -8.246 11.128 1.00 0.00 C ATOM 1161 CG1 VAL A 77 7.515 -8.543 10.229 1.00 0.00 C ATOM 1162 CG2 VAL A 77 10.007 -8.469 10.318 1.00 0.00 C ATOM 0 H VAL A 77 10.353 -7.140 12.831 1.00 0.00 H new ATOM 0 HA VAL A 77 8.391 -6.203 10.838 1.00 0.00 H new ATOM 0 HB VAL A 77 8.739 -8.923 11.982 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.599 -9.553 9.829 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.598 -8.459 10.812 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.489 -7.828 9.407 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.024 -9.490 9.936 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.037 -7.769 9.483 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.874 -8.307 10.959 1.00 0.00 H new ATOM 1172 N LEU A 78 6.562 -5.910 12.556 1.00 0.00 N ATOM 1173 CA LEU A 78 5.394 -5.819 13.402 1.00 0.00 C ATOM 1174 C LEU A 78 4.232 -6.407 12.616 1.00 0.00 C ATOM 1175 O LEU A 78 4.234 -6.386 11.385 1.00 0.00 O ATOM 1176 CB LEU A 78 5.113 -4.368 13.849 1.00 0.00 C ATOM 1177 CG LEU A 78 6.138 -3.803 14.861 1.00 0.00 C ATOM 1178 CD1 LEU A 78 7.353 -3.155 14.189 1.00 0.00 C ATOM 1179 CD2 LEU A 78 5.497 -2.800 15.826 1.00 0.00 C ATOM 0 H LEU A 78 6.539 -5.274 11.759 1.00 0.00 H new ATOM 0 HA LEU A 78 5.550 -6.376 14.326 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.098 -3.726 12.969 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.119 -4.323 14.294 1.00 0.00 H new ATOM 0 HG LEU A 78 6.488 -4.669 15.424 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.034 -2.779 14.953 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.868 -3.895 13.577 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.023 -2.329 13.559 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.252 -2.428 16.519 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.081 -1.966 15.261 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.701 -3.291 16.386 1.00 0.00 H new ATOM 1191 N LYS A 79 3.227 -6.915 13.318 1.00 0.00 N ATOM 1192 CA LYS A 79 1.970 -7.327 12.722 1.00 0.00 C ATOM 1193 C LYS A 79 0.863 -6.777 13.594 1.00 0.00 C ATOM 1194 O LYS A 79 0.840 -7.047 14.794 1.00 0.00 O ATOM 1195 CB LYS A 79 1.898 -8.855 12.592 1.00 0.00 C ATOM 1196 CG LYS A 79 0.616 -9.278 11.859 1.00 0.00 C ATOM 1197 CD LYS A 79 0.527 -10.799 11.692 1.00 0.00 C ATOM 1198 CE LYS A 79 -0.758 -11.159 10.932 1.00 0.00 C ATOM 1199 NZ LYS A 79 -0.867 -12.614 10.678 1.00 0.00 N ATOM 0 H LYS A 79 3.266 -7.053 14.328 1.00 0.00 H new ATOM 0 HA LYS A 79 1.872 -6.937 11.709 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.770 -9.220 12.050 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.924 -9.311 13.582 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.253 -8.922 12.413 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.585 -8.803 10.878 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.398 -11.167 11.149 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.532 -11.283 12.669 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.623 -10.826 11.506 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.779 -10.623 9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.704 -12.802 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.015 -12.945 10.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.959 -13.118 11.583 1.00 0.00 H new ATOM 1213 N ASP A 80 -0.050 -6.025 12.981 1.00 0.00 N ATOM 1214 CA ASP A 80 -1.275 -5.511 13.599 1.00 0.00 C ATOM 1215 C ASP A 80 -1.003 -4.843 14.966 1.00 0.00 C ATOM 1216 O ASP A 80 -1.794 -4.945 15.905 1.00 0.00 O ATOM 1217 CB ASP A 80 -2.334 -6.626 13.651 1.00 0.00 C ATOM 1218 CG ASP A 80 -3.715 -6.111 14.098 1.00 0.00 C ATOM 1219 OD1 ASP A 80 -4.173 -5.062 13.591 1.00 0.00 O ATOM 1220 OD2 ASP A 80 -4.382 -6.790 14.912 1.00 0.00 O ATOM 0 H ASP A 80 0.045 -5.746 12.005 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.678 -4.709 12.980 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.423 -7.084 12.666 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.002 -7.406 14.336 1.00 0.00 H new ATOM 1225 N GLY A 81 0.153 -4.181 15.084 1.00 0.00 N ATOM 1226 CA GLY A 81 0.503 -3.334 16.217 1.00 0.00 C ATOM 1227 C GLY A 81 1.456 -3.966 17.237 1.00 0.00 C ATOM 1228 O GLY A 81 1.790 -3.288 18.211 1.00 0.00 O ATOM 0 H GLY A 81 0.885 -4.224 14.375 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.957 -2.418 15.838 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.414 -3.046 16.731 1.00 0.00 H new ATOM 1232 N GLU A 82 1.922 -5.209 17.053 1.00 0.00 N ATOM 1233 CA GLU A 82 2.888 -5.849 17.954 1.00 0.00 C ATOM 1234 C GLU A 82 4.115 -6.284 17.159 1.00 0.00 C ATOM 1235 O GLU A 82 3.975 -6.664 15.998 1.00 0.00 O ATOM 1236 CB GLU A 82 2.226 -7.024 18.700 1.00 0.00 C ATOM 1237 CG GLU A 82 2.124 -8.353 17.924 1.00 0.00 C ATOM 1238 CD GLU A 82 1.356 -9.411 18.737 1.00 0.00 C ATOM 1239 OE1 GLU A 82 1.974 -10.126 19.558 1.00 0.00 O ATOM 1240 OE2 GLU A 82 0.123 -9.552 18.559 1.00 0.00 O ATOM 0 H GLU A 82 1.638 -5.800 16.272 1.00 0.00 H new ATOM 0 HA GLU A 82 3.217 -5.138 18.711 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.785 -7.205 19.618 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.221 -6.721 18.993 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.620 -8.184 16.972 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.124 -8.721 17.694 1.00 0.00 H new ATOM 1247 N VAL A 83 5.312 -6.246 17.749 1.00 0.00 N ATOM 1248 CA VAL A 83 6.493 -6.834 17.124 1.00 0.00 C ATOM 1249 C VAL A 83 6.334 -8.350 17.111 1.00 0.00 C ATOM 1250 O VAL A 83 5.985 -8.969 18.120 1.00 0.00 O ATOM 1251 CB VAL A 83 7.792 -6.304 17.765 1.00 0.00 C ATOM 1252 CG1 VAL A 83 8.000 -6.733 19.225 1.00 0.00 C ATOM 1253 CG2 VAL A 83 9.006 -6.690 16.909 1.00 0.00 C ATOM 0 H VAL A 83 5.486 -5.815 18.657 1.00 0.00 H new ATOM 0 HA VAL A 83 6.582 -6.525 16.083 1.00 0.00 H new ATOM 0 HB VAL A 83 7.687 -5.219 17.793 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.936 -6.317 19.597 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.173 -6.366 19.833 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.038 -7.821 19.283 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.915 -6.309 17.374 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.066 -7.776 16.831 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.900 -6.260 15.913 1.00 0.00 H new ATOM 1263 N VAL A 84 6.603 -8.930 15.947 1.00 0.00 N ATOM 1264 CA VAL A 84 6.558 -10.359 15.714 1.00 0.00 C ATOM 1265 C VAL A 84 7.929 -10.887 15.266 1.00 0.00 C ATOM 1266 O VAL A 84 8.187 -12.072 15.482 1.00 0.00 O ATOM 1267 CB VAL A 84 5.405 -10.707 14.749 1.00 0.00 C ATOM 1268 CG1 VAL A 84 4.038 -10.291 15.311 1.00 0.00 C ATOM 1269 CG2 VAL A 84 5.575 -10.100 13.345 1.00 0.00 C ATOM 0 H VAL A 84 6.866 -8.398 15.117 1.00 0.00 H new ATOM 0 HA VAL A 84 6.340 -10.875 16.649 1.00 0.00 H new ATOM 0 HB VAL A 84 5.445 -11.792 14.653 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.256 -10.555 14.599 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.860 -10.808 16.254 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.026 -9.214 15.480 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.729 -10.386 12.720 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.620 -9.014 13.421 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.497 -10.470 12.898 1.00 0.00 H new ATOM 1279 N GLU A 85 8.842 -10.051 14.735 1.00 0.00 N ATOM 1280 CA GLU A 85 10.199 -10.514 14.402 1.00 0.00 C ATOM 1281 C GLU A 85 11.190 -9.342 14.396 1.00 0.00 C ATOM 1282 O GLU A 85 10.775 -8.186 14.313 1.00 0.00 O ATOM 1283 CB GLU A 85 10.160 -11.259 13.046 1.00 0.00 C ATOM 1284 CG GLU A 85 11.410 -12.042 12.642 1.00 0.00 C ATOM 1285 CD GLU A 85 11.820 -13.083 13.690 1.00 0.00 C ATOM 1286 OE1 GLU A 85 12.514 -12.710 14.662 1.00 0.00 O ATOM 1287 OE2 GLU A 85 11.448 -14.267 13.528 1.00 0.00 O ATOM 0 H GLU A 85 8.667 -9.067 14.531 1.00 0.00 H new ATOM 0 HA GLU A 85 10.550 -11.210 15.164 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.319 -11.952 13.066 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.952 -10.528 12.265 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.229 -12.542 11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.234 -11.347 12.485 1.00 0.00 H new ATOM 1294 N THR A 86 12.495 -9.628 14.460 1.00 0.00 N ATOM 1295 CA THR A 86 13.568 -8.634 14.419 1.00 0.00 C ATOM 1296 C THR A 86 14.708 -9.175 13.541 1.00 0.00 C ATOM 1297 O THR A 86 14.899 -10.390 13.442 1.00 0.00 O ATOM 1298 CB THR A 86 14.067 -8.350 15.854 1.00 0.00 C ATOM 1299 OG1 THR A 86 12.995 -8.152 16.759 1.00 0.00 O ATOM 1300 CG2 THR A 86 14.973 -7.115 15.944 1.00 0.00 C ATOM 0 H THR A 86 12.841 -10.584 14.544 1.00 0.00 H new ATOM 0 HA THR A 86 13.203 -7.699 13.994 1.00 0.00 H new ATOM 0 HB THR A 86 14.638 -9.238 16.124 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.351 -7.977 17.655 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.289 -6.970 16.977 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.850 -7.260 15.313 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.424 -6.236 15.606 1.00 0.00 H new ATOM 1308 N SER A 87 15.473 -8.294 12.893 1.00 0.00 N ATOM 1309 CA SER A 87 16.720 -8.606 12.196 1.00 0.00 C ATOM 1310 C SER A 87 17.622 -7.365 12.213 1.00 0.00 C ATOM 1311 O SER A 87 17.139 -6.250 12.415 1.00 0.00 O ATOM 1312 CB SER A 87 16.404 -9.061 10.767 1.00 0.00 C ATOM 1313 OG SER A 87 15.794 -10.339 10.793 1.00 0.00 O ATOM 0 H SER A 87 15.230 -7.305 12.838 1.00 0.00 H new ATOM 0 HA SER A 87 17.248 -9.419 12.694 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.742 -8.342 10.285 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.319 -9.097 10.176 1.00 0.00 H new ATOM 0 HG SER A 87 15.538 -10.560 11.713 1.00 0.00 H new ATOM 1319 N VAL A 88 18.931 -7.539 12.019 1.00 0.00 N ATOM 1320 CA VAL A 88 19.919 -6.461 12.078 1.00 0.00 C ATOM 1321 C VAL A 88 20.839 -6.610 10.862 1.00 0.00 C ATOM 1322 O VAL A 88 21.149 -7.735 10.456 1.00 0.00 O ATOM 1323 CB VAL A 88 20.685 -6.530 13.421 1.00 0.00 C ATOM 1324 CG1 VAL A 88 21.666 -5.357 13.584 1.00 0.00 C ATOM 1325 CG2 VAL A 88 19.747 -6.536 14.643 1.00 0.00 C ATOM 0 H VAL A 88 19.341 -8.450 11.813 1.00 0.00 H new ATOM 0 HA VAL A 88 19.449 -5.478 12.040 1.00 0.00 H new ATOM 0 HB VAL A 88 21.231 -7.472 13.384 1.00 0.00 H new ATOM 0 HG11 VAL A 88 22.182 -5.445 14.540 1.00 0.00 H new ATOM 0 HG12 VAL A 88 22.396 -5.378 12.774 1.00 0.00 H new ATOM 0 HG13 VAL A 88 21.116 -4.416 13.553 1.00 0.00 H new ATOM 0 HG21 VAL A 88 20.340 -6.585 15.556 1.00 0.00 H new ATOM 0 HG22 VAL A 88 19.149 -5.625 14.647 1.00 0.00 H new ATOM 0 HG23 VAL A 88 19.087 -7.402 14.591 1.00 0.00 H new ATOM 1335 N GLY A 89 21.292 -5.493 10.292 1.00 0.00 N ATOM 1336 CA GLY A 89 22.223 -5.479 9.171 1.00 0.00 C ATOM 1337 C GLY A 89 21.539 -5.790 7.838 1.00 0.00 C ATOM 1338 O GLY A 89 20.331 -6.041 7.775 1.00 0.00 O ATOM 0 H GLY A 89 21.017 -4.561 10.603 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.700 -4.501 9.111 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.013 -6.209 9.350 1.00 0.00 H new ATOM 1342 N PHE A 90 22.325 -5.753 6.759 1.00 0.00 N ATOM 1343 CA PHE A 90 21.854 -6.006 5.400 1.00 0.00 C ATOM 1344 C PHE A 90 21.295 -7.419 5.267 1.00 0.00 C ATOM 1345 O PHE A 90 21.810 -8.360 5.877 1.00 0.00 O ATOM 1346 CB PHE A 90 23.005 -5.762 4.409 1.00 0.00 C ATOM 1347 CG PHE A 90 22.636 -5.965 2.949 1.00 0.00 C ATOM 1348 CD1 PHE A 90 22.719 -7.246 2.366 1.00 0.00 C ATOM 1349 CD2 PHE A 90 22.195 -4.876 2.173 1.00 0.00 C ATOM 1350 CE1 PHE A 90 22.343 -7.439 1.025 1.00 0.00 C ATOM 1351 CE2 PHE A 90 21.832 -5.067 0.828 1.00 0.00 C ATOM 1352 CZ PHE A 90 21.901 -6.350 0.256 1.00 0.00 C ATOM 0 H PHE A 90 23.322 -5.543 6.809 1.00 0.00 H new ATOM 0 HA PHE A 90 21.040 -5.319 5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 90 23.370 -4.743 4.540 1.00 0.00 H new ATOM 0 HB3 PHE A 90 23.829 -6.430 4.658 1.00 0.00 H new ATOM 0 HD1 PHE A 90 23.073 -8.082 2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 90 22.135 -3.891 2.612 1.00 0.00 H new ATOM 0 HE1 PHE A 90 22.394 -8.425 0.586 1.00 0.00 H new ATOM 0 HE2 PHE A 90 21.500 -4.228 0.234 1.00 0.00 H new ATOM 0 HZ PHE A 90 21.614 -6.498 -0.775 1.00 0.00 H new ATOM 1362 N LYS A 91 20.257 -7.557 4.439 1.00 0.00 N ATOM 1363 CA LYS A 91 19.579 -8.804 4.109 1.00 0.00 C ATOM 1364 C LYS A 91 19.055 -8.659 2.673 1.00 0.00 C ATOM 1365 O LYS A 91 18.591 -7.567 2.332 1.00 0.00 O ATOM 1366 CB LYS A 91 18.409 -9.014 5.096 1.00 0.00 C ATOM 1367 CG LYS A 91 18.428 -10.349 5.850 1.00 0.00 C ATOM 1368 CD LYS A 91 19.666 -10.634 6.713 1.00 0.00 C ATOM 1369 CE LYS A 91 19.839 -9.614 7.847 1.00 0.00 C ATOM 1370 NZ LYS A 91 21.215 -9.640 8.393 1.00 0.00 N ATOM 0 H LYS A 91 19.848 -6.756 3.957 1.00 0.00 H new ATOM 0 HA LYS A 91 20.247 -9.662 4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 91 18.418 -8.203 5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.471 -8.938 4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.548 -10.390 6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 91 18.328 -11.153 5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.586 -11.635 7.138 1.00 0.00 H new ATOM 0 HD3 LYS A 91 20.555 -10.625 6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.612 -8.614 7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.126 -9.829 8.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.276 -9.001 9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.452 -10.608 8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.885 -9.329 7.661 1.00 0.00 H new ATOM 1384 N PRO A 92 19.105 -9.708 1.834 1.00 0.00 N ATOM 1385 CA PRO A 92 18.562 -9.654 0.483 1.00 0.00 C ATOM 1386 C PRO A 92 17.030 -9.654 0.514 1.00 0.00 C ATOM 1387 O PRO A 92 16.412 -10.163 1.451 1.00 0.00 O ATOM 1388 CB PRO A 92 19.122 -10.888 -0.230 1.00 0.00 C ATOM 1389 CG PRO A 92 19.318 -11.894 0.904 1.00 0.00 C ATOM 1390 CD PRO A 92 19.701 -11.012 2.093 1.00 0.00 C ATOM 0 HA PRO A 92 18.845 -8.740 -0.039 1.00 0.00 H new ATOM 0 HB2 PRO A 92 18.432 -11.263 -0.985 1.00 0.00 H new ATOM 0 HB3 PRO A 92 20.061 -10.667 -0.738 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.408 -12.461 1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.100 -12.616 0.670 1.00 0.00 H new ATOM 0 HD2 PRO A 92 19.328 -11.433 3.027 1.00 0.00 H new ATOM 0 HD3 PRO A 92 20.784 -10.934 2.188 1.00 0.00 H new ATOM 1398 N LYS A 93 16.404 -9.141 -0.550 1.00 0.00 N ATOM 1399 CA LYS A 93 14.946 -8.986 -0.648 1.00 0.00 C ATOM 1400 C LYS A 93 14.187 -10.290 -0.473 1.00 0.00 C ATOM 1401 O LYS A 93 13.065 -10.272 0.025 1.00 0.00 O ATOM 1402 CB LYS A 93 14.548 -8.330 -1.979 1.00 0.00 C ATOM 1403 CG LYS A 93 15.052 -9.087 -3.220 1.00 0.00 C ATOM 1404 CD LYS A 93 14.811 -8.251 -4.473 1.00 0.00 C ATOM 1405 CE LYS A 93 15.160 -9.083 -5.715 1.00 0.00 C ATOM 1406 NZ LYS A 93 14.597 -8.488 -6.944 1.00 0.00 N ATOM 0 H LYS A 93 16.901 -8.817 -1.380 1.00 0.00 H new ATOM 0 HA LYS A 93 14.664 -8.336 0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.462 -8.256 -2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.938 -7.312 -2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.115 -9.305 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.537 -10.044 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.770 -7.932 -4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.420 -7.348 -4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.243 -9.159 -5.810 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.779 -10.097 -5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.963 -8.996 -7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.560 -8.562 -6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.872 -7.487 -7.002 1.00 0.00 H new ATOM 1420 N GLU A 94 14.753 -11.416 -0.899 1.00 0.00 N ATOM 1421 CA GLU A 94 14.093 -12.702 -0.739 1.00 0.00 C ATOM 1422 C GLU A 94 14.049 -13.072 0.743 1.00 0.00 C ATOM 1423 O GLU A 94 13.001 -13.479 1.235 1.00 0.00 O ATOM 1424 CB GLU A 94 14.803 -13.788 -1.563 1.00 0.00 C ATOM 1425 CG GLU A 94 14.686 -13.538 -3.074 1.00 0.00 C ATOM 1426 CD GLU A 94 15.333 -14.676 -3.884 1.00 0.00 C ATOM 1427 OE1 GLU A 94 16.547 -14.607 -4.183 1.00 0.00 O ATOM 1428 OE2 GLU A 94 14.631 -15.649 -4.246 1.00 0.00 O ATOM 0 H GLU A 94 15.664 -11.461 -1.356 1.00 0.00 H new ATOM 0 HA GLU A 94 13.071 -12.628 -1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.856 -13.824 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.375 -14.762 -1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.635 -13.446 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.165 -12.592 -3.326 1.00 0.00 H new ATOM 1435 N ALA A 95 15.144 -12.865 1.482 1.00 0.00 N ATOM 1436 CA ALA A 95 15.165 -13.121 2.913 1.00 0.00 C ATOM 1437 C ALA A 95 14.186 -12.199 3.636 1.00 0.00 C ATOM 1438 O ALA A 95 13.452 -12.656 4.507 1.00 0.00 O ATOM 1439 CB ALA A 95 16.584 -12.962 3.468 1.00 0.00 C ATOM 0 H ALA A 95 16.026 -12.520 1.105 1.00 0.00 H new ATOM 0 HA ALA A 95 14.850 -14.150 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 95 16.579 -13.158 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 95 17.250 -13.669 2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 95 16.934 -11.946 3.286 1.00 0.00 H new ATOM 1445 N LEU A 96 14.137 -10.919 3.250 1.00 0.00 N ATOM 1446 CA LEU A 96 13.217 -9.949 3.839 1.00 0.00 C ATOM 1447 C LEU A 96 11.770 -10.376 3.618 1.00 0.00 C ATOM 1448 O LEU A 96 10.964 -10.391 4.546 1.00 0.00 O ATOM 1449 CB LEU A 96 13.422 -8.546 3.240 1.00 0.00 C ATOM 1450 CG LEU A 96 14.788 -7.893 3.500 1.00 0.00 C ATOM 1451 CD1 LEU A 96 14.864 -6.545 2.774 1.00 0.00 C ATOM 1452 CD2 LEU A 96 15.028 -7.686 4.997 1.00 0.00 C ATOM 0 H LEU A 96 14.735 -10.530 2.521 1.00 0.00 H new ATOM 0 HA LEU A 96 13.429 -9.912 4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.271 -8.608 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.647 -7.888 3.634 1.00 0.00 H new ATOM 0 HG LEU A 96 15.561 -8.561 3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.834 -6.085 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.737 -6.701 1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 96 14.075 -5.889 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 96 16.003 -7.222 5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 96 14.251 -7.039 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.001 -8.649 5.506 1.00 0.00 H new ATOM 1464 N GLN A 97 11.429 -10.729 2.381 1.00 0.00 N ATOM 1465 CA GLN A 97 10.058 -11.051 2.030 1.00 0.00 C ATOM 1466 C GLN A 97 9.643 -12.391 2.632 1.00 0.00 C ATOM 1467 O GLN A 97 8.477 -12.572 2.962 1.00 0.00 O ATOM 1468 CB GLN A 97 9.865 -10.936 0.512 1.00 0.00 C ATOM 1469 CG GLN A 97 10.085 -12.189 -0.341 1.00 0.00 C ATOM 1470 CD GLN A 97 10.152 -11.820 -1.828 1.00 0.00 C ATOM 1471 OE1 GLN A 97 9.328 -12.251 -2.630 1.00 0.00 O ATOM 1472 NE2 GLN A 97 11.117 -11.000 -2.212 1.00 0.00 N ATOM 0 H GLN A 97 12.089 -10.798 1.606 1.00 0.00 H new ATOM 0 HA GLN A 97 9.375 -10.325 2.471 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.850 -10.584 0.331 1.00 0.00 H new ATOM 0 HB3 GLN A 97 10.541 -10.162 0.148 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.009 -12.683 -0.041 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.275 -12.898 -0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.792 -10.653 -1.531 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.186 -10.715 -3.189 1.00 0.00 H new ATOM 1481 N GLU A 98 10.585 -13.308 2.847 1.00 0.00 N ATOM 1482 CA GLU A 98 10.341 -14.535 3.599 1.00 0.00 C ATOM 1483 C GLU A 98 10.134 -14.244 5.091 1.00 0.00 C ATOM 1484 O GLU A 98 9.268 -14.852 5.721 1.00 0.00 O ATOM 1485 CB GLU A 98 11.484 -15.543 3.386 1.00 0.00 C ATOM 1486 CG GLU A 98 11.421 -16.237 2.014 1.00 0.00 C ATOM 1487 CD GLU A 98 10.271 -17.256 1.926 1.00 0.00 C ATOM 1488 OE1 GLU A 98 10.468 -18.433 2.308 1.00 0.00 O ATOM 1489 OE2 GLU A 98 9.167 -16.901 1.457 1.00 0.00 O ATOM 0 H GLU A 98 11.541 -13.219 2.503 1.00 0.00 H new ATOM 0 HA GLU A 98 9.421 -14.980 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.439 -15.027 3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.447 -16.298 4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.297 -15.485 1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.367 -16.743 1.822 1.00 0.00 H new ATOM 1496 N LEU A 99 10.868 -13.280 5.654 1.00 0.00 N ATOM 1497 CA LEU A 99 10.709 -12.817 7.024 1.00 0.00 C ATOM 1498 C LEU A 99 9.316 -12.205 7.220 1.00 0.00 C ATOM 1499 O LEU A 99 8.712 -12.355 8.280 1.00 0.00 O ATOM 1500 CB LEU A 99 11.819 -11.794 7.329 1.00 0.00 C ATOM 1501 CG LEU A 99 12.085 -11.648 8.827 1.00 0.00 C ATOM 1502 CD1 LEU A 99 12.929 -12.817 9.361 1.00 0.00 C ATOM 1503 CD2 LEU A 99 12.815 -10.330 9.111 1.00 0.00 C ATOM 0 H LEU A 99 11.608 -12.791 5.151 1.00 0.00 H new ATOM 0 HA LEU A 99 10.797 -13.654 7.716 1.00 0.00 H new ATOM 0 HB2 LEU A 99 12.738 -12.099 6.828 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.538 -10.825 6.917 1.00 0.00 H new ATOM 0 HG LEU A 99 11.120 -11.652 9.334 1.00 0.00 H new ATOM 0 HD11 LEU A 99 13.101 -12.684 10.429 1.00 0.00 H new ATOM 0 HD12 LEU A 99 12.399 -13.755 9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 99 13.886 -12.843 8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.998 -10.239 10.182 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.766 -10.318 8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.201 -9.494 8.776 1.00 0.00 H new ATOM 1515 N VAL A 100 8.782 -11.545 6.190 1.00 0.00 N ATOM 1516 CA VAL A 100 7.395 -11.106 6.140 1.00 0.00 C ATOM 1517 C VAL A 100 6.463 -12.319 5.997 1.00 0.00 C ATOM 1518 O VAL A 100 5.470 -12.436 6.718 1.00 0.00 O ATOM 1519 CB VAL A 100 7.253 -10.072 5.001 1.00 0.00 C ATOM 1520 CG1 VAL A 100 5.798 -9.741 4.658 1.00 0.00 C ATOM 1521 CG2 VAL A 100 8.000 -8.779 5.360 1.00 0.00 C ATOM 0 H VAL A 100 9.314 -11.299 5.356 1.00 0.00 H new ATOM 0 HA VAL A 100 7.099 -10.615 7.067 1.00 0.00 H new ATOM 0 HB VAL A 100 7.693 -10.532 4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.772 -9.009 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.283 -10.648 4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.302 -9.330 5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.892 -8.059 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.582 -8.360 6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.057 -8.999 5.511 1.00 0.00 H new ATOM 1531 N ASN A 101 6.786 -13.249 5.096 1.00 0.00 N ATOM 1532 CA ASN A 101 5.932 -14.376 4.718 1.00 0.00 C ATOM 1533 C ASN A 101 5.610 -15.272 5.910 1.00 0.00 C ATOM 1534 O ASN A 101 4.481 -15.747 6.023 1.00 0.00 O ATOM 1535 CB ASN A 101 6.597 -15.216 3.620 1.00 0.00 C ATOM 1536 CG ASN A 101 5.676 -16.329 3.134 1.00 0.00 C ATOM 1537 OD1 ASN A 101 5.688 -17.441 3.653 1.00 0.00 O ATOM 1538 ND2 ASN A 101 4.863 -16.049 2.130 1.00 0.00 N ATOM 0 H ASN A 101 7.674 -13.238 4.595 1.00 0.00 H new ATOM 0 HA ASN A 101 5.000 -13.954 4.343 1.00 0.00 H new ATOM 0 HB2 ASN A 101 6.867 -14.573 2.782 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.522 -15.648 4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.229 -16.764 1.772 1.00 0.00 H new ATOM 0 HD22 ASN A 101 4.869 -15.118 1.713 1.00 0.00 H new ATOM 1545 N LYS A 102 6.567 -15.464 6.826 1.00 0.00 N ATOM 1546 CA LYS A 102 6.357 -16.280 8.025 1.00 0.00 C ATOM 1547 C LYS A 102 5.346 -15.665 9.007 1.00 0.00 C ATOM 1548 O LYS A 102 4.982 -16.338 9.973 1.00 0.00 O ATOM 1549 CB LYS A 102 7.694 -16.663 8.693 1.00 0.00 C ATOM 1550 CG LYS A 102 8.516 -15.473 9.210 1.00 0.00 C ATOM 1551 CD LYS A 102 9.835 -15.870 9.894 1.00 0.00 C ATOM 1552 CE LYS A 102 9.658 -16.622 11.223 1.00 0.00 C ATOM 1553 NZ LYS A 102 9.381 -15.725 12.372 1.00 0.00 N ATOM 0 H LYS A 102 7.501 -15.061 6.757 1.00 0.00 H new ATOM 0 HA LYS A 102 5.895 -17.209 7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.489 -17.335 9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.297 -17.220 7.975 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.738 -14.809 8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.910 -14.906 9.916 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.411 -16.494 9.211 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.422 -14.970 10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.840 -17.336 11.123 1.00 0.00 H new ATOM 0 HE3 LYS A 102 10.560 -17.198 11.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.057 -16.290 13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.249 -15.214 12.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.643 -15.042 12.109 1.00 0.00 H new ATOM 1567 N HIS A 103 4.864 -14.438 8.767 1.00 0.00 N ATOM 1568 CA HIS A 103 3.830 -13.789 9.575 1.00 0.00 C ATOM 1569 C HIS A 103 2.605 -13.358 8.762 1.00 0.00 C ATOM 1570 O HIS A 103 1.553 -13.134 9.364 1.00 0.00 O ATOM 1571 CB HIS A 103 4.431 -12.601 10.338 1.00 0.00 C ATOM 1572 CG HIS A 103 5.437 -13.042 11.367 1.00 0.00 C ATOM 1573 ND1 HIS A 103 5.159 -13.694 12.548 1.00 0.00 N ATOM 1574 CD2 HIS A 103 6.798 -12.961 11.259 1.00 0.00 C ATOM 1575 CE1 HIS A 103 6.326 -14.004 13.133 1.00 0.00 C ATOM 1576 NE2 HIS A 103 7.359 -13.594 12.375 1.00 0.00 N ATOM 0 H HIS A 103 5.189 -13.861 7.991 1.00 0.00 H new ATOM 0 HA HIS A 103 3.468 -14.532 10.285 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.909 -11.921 9.632 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.633 -12.043 10.827 1.00 0.00 H new ATOM 0 HD1 HIS A 103 4.230 -13.904 12.913 1.00 0.00 H new ATOM 0 HD2 HIS A 103 7.344 -12.491 10.454 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.423 -14.512 14.081 1.00 0.00 H new ATOM 1584 N LEU A 104 2.692 -13.249 7.431 1.00 0.00 N ATOM 1585 CA LEU A 104 1.525 -13.015 6.584 1.00 0.00 C ATOM 1586 C LEU A 104 0.509 -14.135 6.797 1.00 0.00 C ATOM 1587 O LEU A 104 0.895 -15.322 6.763 1.00 0.00 O ATOM 1588 CB LEU A 104 1.906 -12.907 5.095 1.00 0.00 C ATOM 1589 CG LEU A 104 2.493 -11.552 4.665 1.00 0.00 C ATOM 1590 CD1 LEU A 104 2.915 -11.629 3.192 1.00 0.00 C ATOM 1591 CD2 LEU A 104 1.500 -10.393 4.824 1.00 0.00 C ATOM 1592 OXT LEU A 104 -0.686 -13.821 6.970 1.00 0.00 O ATOM 0 H LEU A 104 3.570 -13.321 6.917 1.00 0.00 H new ATOM 0 HA LEU A 104 1.084 -12.060 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.630 -13.688 4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.019 -13.108 4.494 1.00 0.00 H new ATOM 0 HG LEU A 104 3.344 -11.353 5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.332 -10.671 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.667 -12.408 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.046 -11.863 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.971 -9.464 4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.619 -10.582 4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.203 -10.309 5.869 1.00 0.00 H new