USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 544 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 Single : A 4 LYS NZ :NH3+ -162:sc= 1.12 (180deg=0.0817) USER MOD Single : A 12 MET CE :methyl 158:sc= -1.44 (180deg=-3.68) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc=-0.00211 K(o=-0.0021,f=-0.83) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.11 K(o=1.1,f=-0.034) USER MOD Single : A 37 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.9!) USER MOD Single : A 42 THR OG1 : rot -62:sc= 0.925 USER MOD Single : A 44 THR OG1 : rot 47:sc= 0.775 USER MOD Single : A 47 TYR OH : rot 77:sc= 1.26 USER MOD Single : A 48 ASN : amide:sc= -0.357 K(o=-0.36,f=-4.9!) USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000515) USER MOD Single : A 53 SER OG : rot 180:sc= 0.488 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -129:sc= 0.93 (180deg=-0.289!) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= -0.0176 (180deg=-0.126) USER MOD Single : A 66 TYR OH : rot 130:sc= 0.433 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 138:sc= 1.14 (180deg=0.45) USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= 1.27 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 34 N GLU A 3 3.149 12.959 4.935 1.00 10.00 N ATOM 35 CA GLU A 3 2.890 13.423 3.586 1.00 10.00 C ATOM 36 C GLU A 3 1.645 12.706 3.068 1.00 10.00 C ATOM 37 O GLU A 3 0.887 12.117 3.840 1.00 10.00 O ATOM 38 CB GLU A 3 4.145 13.198 2.728 1.00 10.00 C ATOM 39 CG GLU A 3 4.472 11.716 2.476 1.00 10.00 C ATOM 40 CD GLU A 3 5.810 11.542 1.768 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.461 12.575 1.505 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.167 10.380 1.496 1.00 10.00 O ATOM 0 HA GLU A 3 2.684 14.493 3.548 1.00 10.00 H new ATOM 0 HB2 GLU A 3 4.012 13.698 1.769 1.00 10.00 H new ATOM 0 HB3 GLU A 3 4.997 13.669 3.218 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.492 11.182 3.426 1.00 10.00 H new ATOM 0 HG3 GLU A 3 3.682 11.267 1.874 1.00 10.00 H new ATOM 49 N LYS A 4 1.448 12.765 1.756 1.00 10.00 N ATOM 50 CA LYS A 4 0.498 11.973 1.008 1.00 10.00 C ATOM 51 C LYS A 4 1.277 11.351 -0.139 1.00 10.00 C ATOM 52 O LYS A 4 2.107 12.032 -0.740 1.00 10.00 O ATOM 53 CB LYS A 4 -0.594 12.865 0.426 1.00 10.00 C ATOM 54 CG LYS A 4 -1.229 13.776 1.470 1.00 10.00 C ATOM 55 CD LYS A 4 -2.491 14.398 0.863 1.00 10.00 C ATOM 56 CE LYS A 4 -3.059 15.475 1.784 1.00 10.00 C ATOM 57 NZ LYS A 4 -3.249 14.965 3.162 1.00 10.00 N ATOM 0 H LYS A 4 1.978 13.402 1.161 1.00 10.00 H new ATOM 0 HA LYS A 4 0.029 11.225 1.648 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -0.172 13.474 -0.373 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -1.366 12.241 -0.023 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -1.479 13.209 2.367 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -0.528 14.555 1.770 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -2.257 14.831 -0.110 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -3.240 13.624 0.696 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -2.386 16.332 1.802 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -4.013 15.826 1.390 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -3.901 15.591 3.677 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -3.648 14.005 3.125 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -2.332 14.940 3.653 1.00 10.00 H new ATOM 71 N ALA A 5 1.022 10.085 -0.444 1.00 10.00 N ATOM 72 CA ALA A 5 1.693 9.370 -1.507 1.00 10.00 C ATOM 73 C ALA A 5 0.686 8.384 -2.084 1.00 10.00 C ATOM 74 O ALA A 5 -0.077 7.789 -1.324 1.00 10.00 O ATOM 75 CB ALA A 5 2.904 8.673 -0.906 1.00 10.00 C ATOM 0 H ALA A 5 0.331 9.522 0.052 1.00 10.00 H new ATOM 0 HA ALA A 5 2.044 10.021 -2.308 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.432 8.124 -1.686 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.572 9.416 -0.470 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.577 7.979 -0.131 1.00 10.00 H new ATOM 81 N GLU A 6 0.622 8.242 -3.409 1.00 10.00 N ATOM 82 CA GLU A 6 -0.409 7.448 -4.049 1.00 10.00 C ATOM 83 C GLU A 6 0.336 6.377 -4.803 1.00 10.00 C ATOM 84 O GLU A 6 1.290 6.710 -5.515 1.00 10.00 O ATOM 85 CB GLU A 6 -1.251 8.305 -5.004 1.00 10.00 C ATOM 86 CG GLU A 6 -2.750 8.169 -4.736 1.00 10.00 C ATOM 87 CD GLU A 6 -3.600 8.710 -5.881 1.00 10.00 C ATOM 88 OE1 GLU A 6 -3.009 9.296 -6.817 1.00 10.00 O ATOM 89 OE2 GLU A 6 -4.828 8.493 -5.817 1.00 10.00 O ATOM 0 H GLU A 6 1.281 8.673 -4.057 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.107 7.028 -3.325 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -0.959 9.350 -4.903 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -1.040 8.013 -6.033 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.993 7.119 -4.572 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -3.001 8.701 -3.818 1.00 10.00 H new ATOM 96 N PHE A 7 -0.069 5.121 -4.632 1.00 10.00 N ATOM 97 CA PHE A 7 0.554 3.984 -5.272 1.00 10.00 C ATOM 98 C PHE A 7 -0.498 3.180 -6.021 1.00 10.00 C ATOM 99 O PHE A 7 -1.688 3.319 -5.758 1.00 10.00 O ATOM 100 CB PHE A 7 1.240 3.111 -4.226 1.00 10.00 C ATOM 101 CG PHE A 7 1.975 3.832 -3.113 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.821 4.918 -3.398 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.861 3.378 -1.789 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.491 5.592 -2.368 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.554 4.040 -0.760 1.00 10.00 C ATOM 106 CZ PHE A 7 3.355 5.156 -1.042 1.00 10.00 C ATOM 0 H PHE A 7 -0.854 4.869 -4.032 1.00 10.00 H new ATOM 0 HA PHE A 7 1.304 4.335 -5.981 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.486 2.466 -3.774 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.950 2.461 -4.738 1.00 10.00 H new ATOM 0 HD1 PHE A 7 2.956 5.236 -4.421 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.242 2.522 -1.562 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.111 6.446 -2.595 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.469 3.686 0.257 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.864 5.676 -0.244 1.00 10.00 H new ATOM 116 N ASP A 8 -0.037 2.349 -6.950 1.00 10.00 N ATOM 117 CA ASP A 8 -0.769 1.689 -8.021 1.00 10.00 C ATOM 118 C ASP A 8 -0.472 0.206 -7.911 1.00 10.00 C ATOM 119 O ASP A 8 0.705 -0.145 -7.821 1.00 10.00 O ATOM 120 CB ASP A 8 -0.165 2.273 -9.286 1.00 10.00 C ATOM 121 CG ASP A 8 -0.610 1.708 -10.615 1.00 10.00 C ATOM 122 OD1 ASP A 8 -1.670 2.159 -11.094 1.00 10.00 O ATOM 123 OD2 ASP A 8 0.233 1.034 -11.243 1.00 10.00 O ATOM 0 H ASP A 8 0.951 2.098 -6.972 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.850 1.827 -7.997 1.00 10.00 H new ATOM 0 HB2 ASP A 8 -0.374 3.343 -9.292 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.917 2.160 -9.221 1.00 10.00 H new ATOM 128 N ILE A 9 -1.511 -0.628 -7.809 1.00 10.00 N ATOM 129 CA ILE A 9 -1.391 -2.003 -7.334 1.00 10.00 C ATOM 130 C ILE A 9 -1.923 -2.987 -8.373 1.00 10.00 C ATOM 131 O ILE A 9 -3.076 -2.878 -8.778 1.00 10.00 O ATOM 132 CB ILE A 9 -2.102 -2.181 -5.992 1.00 10.00 C ATOM 133 CG1 ILE A 9 -1.853 -0.941 -5.123 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.553 -3.457 -5.330 1.00 10.00 C ATOM 135 CD1 ILE A 9 -2.287 -1.217 -3.700 1.00 10.00 C ATOM 0 H ILE A 9 -2.464 -0.363 -8.056 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.333 -2.217 -7.182 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.179 -2.285 -6.122 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.796 -0.676 -5.146 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -2.404 -0.089 -5.522 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.044 -3.608 -4.369 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.747 -4.314 -5.975 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.479 -3.354 -5.176 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -2.108 -0.334 -3.087 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.349 -1.460 -3.684 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -1.717 -2.056 -3.302 1.00 10.00 H new ATOM 147 N GLU A 10 -1.105 -3.966 -8.768 1.00 10.00 N ATOM 148 CA GLU A 10 -1.452 -4.952 -9.782 1.00 10.00 C ATOM 149 C GLU A 10 -1.616 -6.330 -9.149 1.00 10.00 C ATOM 150 O GLU A 10 -0.722 -6.800 -8.441 1.00 10.00 O ATOM 151 CB GLU A 10 -0.359 -4.997 -10.852 1.00 10.00 C ATOM 152 CG GLU A 10 -0.463 -3.798 -11.807 1.00 10.00 C ATOM 153 CD GLU A 10 -1.660 -3.900 -12.751 1.00 10.00 C ATOM 154 OE1 GLU A 10 -2.138 -5.040 -12.948 1.00 10.00 O ATOM 155 OE2 GLU A 10 -2.061 -2.839 -13.271 1.00 10.00 O ATOM 0 H GLU A 10 -0.169 -4.094 -8.383 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.397 -4.666 -10.243 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.621 -5.000 -10.374 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -0.440 -5.924 -11.419 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -0.542 -2.880 -11.224 1.00 10.00 H new ATOM 0 HG3 GLU A 10 0.453 -3.725 -12.394 1.00 10.00 H new ATOM 162 N GLY A 11 -2.750 -6.969 -9.448 1.00 10.00 N ATOM 163 CA GLY A 11 -3.099 -8.328 -9.046 1.00 10.00 C ATOM 164 C GLY A 11 -4.286 -8.385 -8.082 1.00 10.00 C ATOM 165 O GLY A 11 -4.938 -9.421 -7.970 1.00 10.00 O ATOM 0 H GLY A 11 -3.483 -6.529 -10.004 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.332 -8.914 -9.935 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.234 -8.794 -8.575 1.00 10.00 H new ATOM 169 N MET A 12 -4.572 -7.290 -7.372 1.00 10.00 N ATOM 170 CA MET A 12 -5.552 -7.236 -6.300 1.00 10.00 C ATOM 171 C MET A 12 -6.999 -7.235 -6.805 1.00 10.00 C ATOM 172 O MET A 12 -7.735 -6.288 -6.547 1.00 10.00 O ATOM 173 CB MET A 12 -5.277 -5.978 -5.470 1.00 10.00 C ATOM 174 CG MET A 12 -5.225 -4.715 -6.357 1.00 10.00 C ATOM 175 SD MET A 12 -5.956 -3.217 -5.660 1.00 10.00 S ATOM 176 CE MET A 12 -5.275 -3.342 -4.010 1.00 10.00 C ATOM 0 H MET A 12 -4.111 -6.395 -7.537 1.00 10.00 H new ATOM 0 HA MET A 12 -5.448 -8.138 -5.696 1.00 10.00 H new ATOM 0 HB2 MET A 12 -6.054 -5.862 -4.715 1.00 10.00 H new ATOM 0 HB3 MET A 12 -4.332 -6.090 -4.939 1.00 10.00 H new ATOM 0 HG2 MET A 12 -4.182 -4.507 -6.596 1.00 10.00 H new ATOM 0 HG3 MET A 12 -5.730 -4.936 -7.297 1.00 10.00 H new ATOM 0 HE1 MET A 12 -5.271 -2.357 -3.543 1.00 10.00 H new ATOM 0 HE2 MET A 12 -5.884 -4.023 -3.416 1.00 10.00 H new ATOM 0 HE3 MET A 12 -4.255 -3.722 -4.065 1.00 10.00 H new ATOM 186 N THR A 13 -7.430 -8.291 -7.490 1.00 10.00 N ATOM 187 CA THR A 13 -8.769 -8.368 -8.073 1.00 10.00 C ATOM 188 C THR A 13 -9.709 -9.250 -7.236 1.00 10.00 C ATOM 189 O THR A 13 -10.892 -9.369 -7.545 1.00 10.00 O ATOM 190 CB THR A 13 -8.651 -8.849 -9.529 1.00 10.00 C ATOM 191 OG1 THR A 13 -7.462 -8.331 -10.101 1.00 10.00 O ATOM 192 CG2 THR A 13 -9.831 -8.361 -10.377 1.00 10.00 C ATOM 0 H THR A 13 -6.860 -9.120 -7.658 1.00 10.00 H new ATOM 0 HA THR A 13 -9.222 -7.376 -8.069 1.00 10.00 H new ATOM 0 HB THR A 13 -8.643 -9.939 -9.518 1.00 10.00 H new ATOM 0 HG1 THR A 13 -7.384 -8.638 -11.028 1.00 10.00 H new ATOM 0 HG21 THR A 13 -9.716 -8.719 -11.400 1.00 10.00 H new ATOM 0 HG22 THR A 13 -10.762 -8.746 -9.961 1.00 10.00 H new ATOM 0 HG23 THR A 13 -9.855 -7.271 -10.374 1.00 10.00 H new ATOM 200 N CYS A 14 -9.197 -9.868 -6.168 1.00 10.00 N ATOM 201 CA CYS A 14 -9.909 -10.849 -5.351 1.00 10.00 C ATOM 202 C CYS A 14 -10.593 -10.242 -4.115 1.00 10.00 C ATOM 203 O CYS A 14 -11.126 -10.982 -3.289 1.00 10.00 O ATOM 204 CB CYS A 14 -8.912 -11.929 -4.926 1.00 10.00 C ATOM 205 SG CYS A 14 -7.399 -11.270 -4.182 1.00 10.00 S ATOM 0 H CYS A 14 -8.247 -9.693 -5.840 1.00 10.00 H new ATOM 0 HA CYS A 14 -10.713 -11.266 -5.957 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -9.396 -12.597 -4.213 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -8.647 -12.529 -5.796 1.00 10.00 H new ATOM 210 N ALA A 15 -10.566 -8.914 -3.963 1.00 10.00 N ATOM 211 CA ALA A 15 -11.152 -8.160 -2.851 1.00 10.00 C ATOM 212 C ALA A 15 -10.381 -8.372 -1.546 1.00 10.00 C ATOM 213 O ALA A 15 -9.833 -7.422 -0.985 1.00 10.00 O ATOM 214 CB ALA A 15 -12.654 -8.440 -2.704 1.00 10.00 C ATOM 0 H ALA A 15 -10.113 -8.307 -4.646 1.00 10.00 H new ATOM 0 HA ALA A 15 -11.057 -7.101 -3.092 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -13.052 -7.863 -1.869 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.169 -8.154 -3.621 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -12.809 -9.503 -2.517 1.00 10.00 H new ATOM 220 N ALA A 16 -10.302 -9.617 -1.071 1.00 10.00 N ATOM 221 CA ALA A 16 -9.530 -9.979 0.110 1.00 10.00 C ATOM 222 C ALA A 16 -8.105 -9.435 0.002 1.00 10.00 C ATOM 223 O ALA A 16 -7.575 -8.886 0.967 1.00 10.00 O ATOM 224 CB ALA A 16 -9.531 -11.499 0.289 1.00 10.00 C ATOM 0 H ALA A 16 -10.779 -10.408 -1.504 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.992 -9.531 0.990 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -8.952 -11.761 1.174 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -10.556 -11.851 0.409 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.086 -11.969 -0.588 1.00 10.00 H new ATOM 230 N CYS A 17 -7.508 -9.556 -1.186 1.00 10.00 N ATOM 231 CA CYS A 17 -6.245 -8.938 -1.553 1.00 10.00 C ATOM 232 C CYS A 17 -6.148 -7.496 -1.065 1.00 10.00 C ATOM 233 O CYS A 17 -5.200 -7.126 -0.376 1.00 10.00 O ATOM 234 CB CYS A 17 -6.134 -8.939 -3.077 1.00 10.00 C ATOM 235 SG CYS A 17 -5.934 -10.584 -3.823 1.00 10.00 S ATOM 0 H CYS A 17 -7.911 -10.109 -1.942 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.441 -9.508 -1.087 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -7.027 -8.473 -3.493 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.286 -8.318 -3.366 1.00 10.00 H new ATOM 240 N ALA A 18 -7.124 -6.677 -1.447 1.00 10.00 N ATOM 241 CA ALA A 18 -7.113 -5.258 -1.160 1.00 10.00 C ATOM 242 C ALA A 18 -7.125 -5.035 0.350 1.00 10.00 C ATOM 243 O ALA A 18 -6.293 -4.305 0.885 1.00 10.00 O ATOM 244 CB ALA A 18 -8.264 -4.596 -1.920 1.00 10.00 C ATOM 0 H ALA A 18 -7.945 -6.987 -1.966 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.198 -4.780 -1.511 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.268 -3.526 -1.713 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.135 -4.758 -2.990 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.210 -5.031 -1.599 1.00 10.00 H new ATOM 250 N ASN A 19 -8.004 -5.743 1.058 1.00 10.00 N ATOM 251 CA ASN A 19 -8.015 -5.723 2.518 1.00 10.00 C ATOM 252 C ASN A 19 -6.654 -6.169 3.091 1.00 10.00 C ATOM 253 O ASN A 19 -6.154 -5.615 4.072 1.00 10.00 O ATOM 254 CB ASN A 19 -9.178 -6.598 3.005 1.00 10.00 C ATOM 255 CG ASN A 19 -9.462 -6.471 4.499 1.00 10.00 C ATOM 256 OD1 ASN A 19 -8.831 -5.707 5.218 1.00 10.00 O ATOM 257 ND2 ASN A 19 -10.434 -7.234 4.989 1.00 10.00 N ATOM 0 H ASN A 19 -8.719 -6.339 0.642 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.169 -4.707 2.880 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -10.078 -6.332 2.450 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.958 -7.640 2.774 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -10.666 -7.190 5.981 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -10.948 -7.864 4.373 1.00 10.00 H new ATOM 264 N ARG A 20 -6.014 -7.165 2.468 1.00 10.00 N ATOM 265 CA ARG A 20 -4.720 -7.661 2.884 1.00 10.00 C ATOM 266 C ARG A 20 -3.654 -6.558 2.805 1.00 10.00 C ATOM 267 O ARG A 20 -2.763 -6.530 3.657 1.00 10.00 O ATOM 268 CB ARG A 20 -4.332 -8.890 2.049 1.00 10.00 C ATOM 269 CG ARG A 20 -4.411 -10.219 2.807 1.00 10.00 C ATOM 270 CD ARG A 20 -5.833 -10.786 2.768 1.00 10.00 C ATOM 271 NE ARG A 20 -5.917 -12.062 3.496 1.00 10.00 N ATOM 272 CZ ARG A 20 -6.240 -12.210 4.790 1.00 10.00 C ATOM 273 NH1 ARG A 20 -6.526 -11.137 5.537 1.00 10.00 N ATOM 274 NH2 ARG A 20 -6.266 -13.432 5.336 1.00 10.00 N ATOM 0 H ARG A 20 -6.394 -7.647 1.653 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.782 -7.969 3.928 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -4.985 -8.943 1.178 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.316 -8.757 1.678 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.717 -10.935 2.367 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -4.102 -10.071 3.842 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -6.526 -10.068 3.206 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -6.140 -10.934 1.733 1.00 10.00 H new ATOM 0 HE ARG A 20 -5.711 -12.911 2.969 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -6.499 -10.205 5.123 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -6.771 -11.251 6.520 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -6.040 -14.249 4.769 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -6.511 -13.546 6.319 1.00 10.00 H new ATOM 288 N ILE A 21 -3.747 -5.654 1.817 1.00 10.00 N ATOM 289 CA ILE A 21 -2.827 -4.515 1.724 1.00 10.00 C ATOM 290 C ILE A 21 -2.849 -3.794 3.067 1.00 10.00 C ATOM 291 O ILE A 21 -1.817 -3.674 3.718 1.00 10.00 O ATOM 292 CB ILE A 21 -3.183 -3.505 0.609 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.443 -4.116 -0.766 1.00 10.00 C ATOM 294 CG2 ILE A 21 -2.157 -2.364 0.486 1.00 10.00 C ATOM 295 CD1 ILE A 21 -2.216 -4.676 -1.479 1.00 10.00 C ATOM 0 H ILE A 21 -4.447 -5.691 1.076 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.843 -4.910 1.472 1.00 10.00 H new ATOM 0 HB ILE A 21 -4.135 -3.096 0.948 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -4.174 -4.917 -0.656 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -3.896 -3.356 -1.402 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -2.460 -1.687 -0.313 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -2.108 -1.816 1.427 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -1.176 -2.780 0.256 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -2.512 -5.085 -2.445 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -1.488 -3.879 -1.630 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.771 -5.464 -0.872 1.00 10.00 H new ATOM 307 N GLU A 22 -4.033 -3.342 3.487 1.00 10.00 N ATOM 308 CA GLU A 22 -4.222 -2.556 4.697 1.00 10.00 C ATOM 309 C GLU A 22 -3.688 -3.309 5.911 1.00 10.00 C ATOM 310 O GLU A 22 -2.998 -2.733 6.753 1.00 10.00 O ATOM 311 CB GLU A 22 -5.696 -2.161 4.847 1.00 10.00 C ATOM 312 CG GLU A 22 -6.200 -1.523 3.544 1.00 10.00 C ATOM 313 CD GLU A 22 -7.454 -0.667 3.700 1.00 10.00 C ATOM 314 OE1 GLU A 22 -7.942 -0.557 4.845 1.00 10.00 O ATOM 315 OE2 GLU A 22 -7.900 -0.125 2.662 1.00 10.00 O ATOM 0 H GLU A 22 -4.901 -3.519 2.982 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.649 -1.632 4.623 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.295 -3.040 5.087 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.812 -1.460 5.674 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.405 -0.906 3.125 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.403 -2.314 2.822 1.00 10.00 H new ATOM 322 N LYS A 23 -3.964 -4.612 5.971 1.00 10.00 N ATOM 323 CA LYS A 23 -3.408 -5.501 6.984 1.00 10.00 C ATOM 324 C LYS A 23 -1.877 -5.406 7.037 1.00 10.00 C ATOM 325 O LYS A 23 -1.303 -5.369 8.125 1.00 10.00 O ATOM 326 CB LYS A 23 -3.891 -6.941 6.728 1.00 10.00 C ATOM 327 CG LYS A 23 -4.849 -7.455 7.812 1.00 10.00 C ATOM 328 CD LYS A 23 -4.142 -8.075 9.028 1.00 10.00 C ATOM 329 CE LYS A 23 -3.611 -9.488 8.728 1.00 10.00 C ATOM 330 NZ LYS A 23 -3.277 -10.233 9.963 1.00 10.00 N ATOM 0 H LYS A 23 -4.585 -5.081 5.311 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.767 -5.189 7.965 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.390 -6.984 5.760 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.027 -7.603 6.671 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.475 -6.629 8.150 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.513 -8.199 7.372 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -3.315 -7.434 9.332 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.836 -8.119 9.867 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -4.359 -10.043 8.162 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.724 -9.415 8.098 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -2.924 -11.179 9.713 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.544 -9.718 10.492 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -4.128 -10.326 10.553 1.00 10.00 H new ATOM 344 N ARG A 24 -1.202 -5.383 5.883 1.00 10.00 N ATOM 345 CA ARG A 24 0.247 -5.216 5.851 1.00 10.00 C ATOM 346 C ARG A 24 0.653 -3.795 6.211 1.00 10.00 C ATOM 347 O ARG A 24 1.550 -3.609 7.025 1.00 10.00 O ATOM 348 CB ARG A 24 0.836 -5.633 4.495 1.00 10.00 C ATOM 349 CG ARG A 24 1.922 -6.696 4.697 1.00 10.00 C ATOM 350 CD ARG A 24 1.303 -8.025 5.146 1.00 10.00 C ATOM 351 NE ARG A 24 2.328 -9.012 5.498 1.00 10.00 N ATOM 352 CZ ARG A 24 2.041 -10.249 5.929 1.00 10.00 C ATOM 353 NH1 ARG A 24 0.769 -10.660 5.965 1.00 10.00 N ATOM 354 NH2 ARG A 24 3.021 -11.064 6.333 1.00 10.00 N ATOM 0 H ARG A 24 -1.637 -5.478 4.965 1.00 10.00 H new ATOM 0 HA ARG A 24 0.663 -5.881 6.608 1.00 10.00 H new ATOM 0 HB2 ARG A 24 0.048 -6.025 3.852 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.257 -4.764 3.990 1.00 10.00 H new ATOM 0 HG2 ARG A 24 2.473 -6.841 3.768 1.00 10.00 H new ATOM 0 HG3 ARG A 24 2.639 -6.353 5.443 1.00 10.00 H new ATOM 0 HD2 ARG A 24 0.655 -7.852 6.005 1.00 10.00 H new ATOM 0 HD3 ARG A 24 0.675 -8.422 4.348 1.00 10.00 H new ATOM 0 HE ARG A 24 3.308 -8.745 5.411 1.00 10.00 H new ATOM 0 HH11 ARG A 24 0.022 -10.033 5.665 1.00 10.00 H new ATOM 0 HH12 ARG A 24 0.546 -11.600 6.292 1.00 10.00 H new ATOM 0 HH21 ARG A 24 3.990 -10.745 6.314 1.00 10.00 H new ATOM 0 HH22 ARG A 24 2.800 -12.004 6.660 1.00 10.00 H new ATOM 368 N LEU A 25 0.009 -2.795 5.616 1.00 10.00 N ATOM 369 CA LEU A 25 0.334 -1.402 5.887 1.00 10.00 C ATOM 370 C LEU A 25 0.277 -1.126 7.392 1.00 10.00 C ATOM 371 O LEU A 25 1.196 -0.533 7.946 1.00 10.00 O ATOM 372 CB LEU A 25 -0.611 -0.500 5.095 1.00 10.00 C ATOM 373 CG LEU A 25 -0.398 -0.646 3.577 1.00 10.00 C ATOM 374 CD1 LEU A 25 -1.685 -0.224 2.869 1.00 10.00 C ATOM 375 CD2 LEU A 25 0.797 0.180 3.081 1.00 10.00 C ATOM 0 H LEU A 25 -0.744 -2.927 4.940 1.00 10.00 H new ATOM 0 HA LEU A 25 1.353 -1.186 5.564 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.643 -0.747 5.343 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -0.453 0.538 5.387 1.00 10.00 H new ATOM 0 HG LEU A 25 -0.167 -1.686 3.349 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -1.555 -0.320 1.791 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.506 -0.863 3.194 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.913 0.813 3.116 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.910 0.047 2.005 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.627 1.234 3.300 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.704 -0.154 3.585 1.00 10.00 H new ATOM 387 N ASN A 26 -0.759 -1.630 8.069 1.00 10.00 N ATOM 388 CA ASN A 26 -0.886 -1.567 9.522 1.00 10.00 C ATOM 389 C ASN A 26 0.334 -2.159 10.233 1.00 10.00 C ATOM 390 O ASN A 26 0.750 -1.649 11.267 1.00 10.00 O ATOM 391 CB ASN A 26 -2.149 -2.310 9.972 1.00 10.00 C ATOM 392 CG ASN A 26 -3.372 -1.400 9.997 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.794 -0.945 11.054 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.963 -1.133 8.837 1.00 10.00 N ATOM 0 H ASN A 26 -1.542 -2.099 7.614 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.955 -0.514 9.795 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.335 -3.148 9.300 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.988 -2.728 10.966 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.789 -0.536 8.811 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.590 -1.525 7.972 1.00 10.00 H new ATOM 401 N LYS A 27 0.890 -3.254 9.708 1.00 10.00 N ATOM 402 CA LYS A 27 2.091 -3.862 10.266 1.00 10.00 C ATOM 403 C LYS A 27 3.331 -2.971 10.084 1.00 10.00 C ATOM 404 O LYS A 27 4.319 -3.180 10.784 1.00 10.00 O ATOM 405 CB LYS A 27 2.293 -5.283 9.699 1.00 10.00 C ATOM 406 CG LYS A 27 3.572 -5.928 10.253 1.00 10.00 C ATOM 407 CD LYS A 27 3.641 -7.442 10.028 1.00 10.00 C ATOM 408 CE LYS A 27 5.028 -7.925 10.489 1.00 10.00 C ATOM 409 NZ LYS A 27 5.093 -9.386 10.695 1.00 10.00 N ATOM 0 H LYS A 27 0.520 -3.738 8.890 1.00 10.00 H new ATOM 0 HA LYS A 27 1.951 -3.956 11.343 1.00 10.00 H new ATOM 0 HB2 LYS A 27 1.432 -5.903 9.950 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.347 -5.239 8.611 1.00 10.00 H new ATOM 0 HG2 LYS A 27 4.438 -5.459 9.785 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.638 -5.724 11.322 1.00 10.00 H new ATOM 0 HD2 LYS A 27 2.855 -7.947 10.589 1.00 10.00 H new ATOM 0 HD3 LYS A 27 3.485 -7.679 8.976 1.00 10.00 H new ATOM 0 HE2 LYS A 27 5.772 -7.635 9.747 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.291 -7.421 11.419 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 6.050 -9.651 11.004 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 4.404 -9.665 11.423 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 4.870 -9.873 9.803 1.00 10.00 H new ATOM 423 N ILE A 28 3.329 -2.023 9.142 1.00 10.00 N ATOM 424 CA ILE A 28 4.477 -1.144 8.957 1.00 10.00 C ATOM 425 C ILE A 28 4.443 -0.033 10.003 1.00 10.00 C ATOM 426 O ILE A 28 3.427 0.624 10.221 1.00 10.00 O ATOM 427 CB ILE A 28 4.528 -0.552 7.544 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.567 -1.677 6.496 1.00 10.00 C ATOM 429 CG2 ILE A 28 5.732 0.389 7.363 1.00 10.00 C ATOM 430 CD1 ILE A 28 4.413 -1.123 5.090 1.00 10.00 C ATOM 0 H ILE A 28 2.552 -1.849 8.504 1.00 10.00 H new ATOM 0 HA ILE A 28 5.381 -1.739 9.085 1.00 10.00 H new ATOM 0 HB ILE A 28 3.623 0.039 7.401 1.00 10.00 H new ATOM 0 HG12 ILE A 28 5.509 -2.219 6.575 1.00 10.00 H new ATOM 0 HG13 ILE A 28 3.770 -2.393 6.697 1.00 10.00 H new ATOM 0 HG21 ILE A 28 5.733 0.788 6.349 1.00 10.00 H new ATOM 0 HG22 ILE A 28 5.662 1.210 8.076 1.00 10.00 H new ATOM 0 HG23 ILE A 28 6.655 -0.164 7.536 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.444 -1.942 4.371 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.459 -0.603 5.006 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.225 -0.426 4.882 1.00 10.00 H new ATOM 442 N GLU A 29 5.610 0.206 10.587 1.00 10.00 N ATOM 443 CA GLU A 29 5.848 1.232 11.579 1.00 10.00 C ATOM 444 C GLU A 29 6.037 2.564 10.843 1.00 10.00 C ATOM 445 O GLU A 29 6.952 2.683 10.033 1.00 10.00 O ATOM 446 CB GLU A 29 7.099 0.844 12.385 1.00 10.00 C ATOM 447 CG GLU A 29 6.996 -0.547 13.040 1.00 10.00 C ATOM 448 CD GLU A 29 6.039 -0.564 14.227 1.00 10.00 C ATOM 449 OE1 GLU A 29 4.823 -0.704 13.980 1.00 10.00 O ATOM 450 OE2 GLU A 29 6.546 -0.441 15.361 1.00 10.00 O ATOM 0 H GLU A 29 6.447 -0.335 10.370 1.00 10.00 H new ATOM 0 HA GLU A 29 5.013 1.332 12.273 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.967 0.864 11.727 1.00 10.00 H new ATOM 0 HB3 GLU A 29 7.269 1.591 13.160 1.00 10.00 H new ATOM 0 HG2 GLU A 29 6.661 -1.271 12.297 1.00 10.00 H new ATOM 0 HG3 GLU A 29 7.985 -0.864 13.370 1.00 10.00 H new ATOM 457 N GLY A 30 5.176 3.555 11.098 1.00 10.00 N ATOM 458 CA GLY A 30 5.318 4.906 10.552 1.00 10.00 C ATOM 459 C GLY A 30 4.335 5.231 9.420 1.00 10.00 C ATOM 460 O GLY A 30 4.447 6.289 8.791 1.00 10.00 O ATOM 0 H GLY A 30 4.356 3.440 11.693 1.00 10.00 H new ATOM 0 HA2 GLY A 30 5.180 5.628 11.357 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.336 5.032 10.182 1.00 10.00 H new ATOM 464 N VAL A 31 3.351 4.357 9.179 1.00 10.00 N ATOM 465 CA VAL A 31 2.218 4.624 8.297 1.00 10.00 C ATOM 466 C VAL A 31 1.083 5.194 9.148 1.00 10.00 C ATOM 467 O VAL A 31 0.845 4.695 10.246 1.00 10.00 O ATOM 468 CB VAL A 31 1.816 3.332 7.562 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.520 3.519 6.761 1.00 10.00 C ATOM 470 CG2 VAL A 31 2.933 2.901 6.600 1.00 10.00 C ATOM 0 H VAL A 31 3.323 3.429 9.601 1.00 10.00 H new ATOM 0 HA VAL A 31 2.474 5.354 7.529 1.00 10.00 H new ATOM 0 HB VAL A 31 1.654 2.565 8.319 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.267 2.587 6.256 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -0.289 3.796 7.437 1.00 10.00 H new ATOM 0 HG13 VAL A 31 0.660 4.307 6.021 1.00 10.00 H new ATOM 0 HG21 VAL A 31 2.638 1.986 6.086 1.00 10.00 H new ATOM 0 HG22 VAL A 31 3.106 3.689 5.867 1.00 10.00 H new ATOM 0 HG23 VAL A 31 3.849 2.721 7.163 1.00 10.00 H new ATOM 480 N ALA A 32 0.400 6.244 8.666 1.00 10.00 N ATOM 481 CA ALA A 32 -0.711 6.861 9.382 1.00 10.00 C ATOM 482 C ALA A 32 -2.038 6.354 8.819 1.00 10.00 C ATOM 483 O ALA A 32 -2.822 5.762 9.556 1.00 10.00 O ATOM 484 CB ALA A 32 -0.608 8.389 9.328 1.00 10.00 C ATOM 0 H ALA A 32 0.607 6.684 7.769 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.665 6.576 10.433 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.446 8.829 9.868 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.328 8.707 9.788 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.632 8.719 8.289 1.00 10.00 H new ATOM 490 N ASN A 33 -2.283 6.566 7.520 1.00 10.00 N ATOM 491 CA ASN A 33 -3.468 6.065 6.829 1.00 10.00 C ATOM 492 C ASN A 33 -3.027 5.459 5.506 1.00 10.00 C ATOM 493 O ASN A 33 -1.939 5.761 5.017 1.00 10.00 O ATOM 494 CB ASN A 33 -4.491 7.168 6.513 1.00 10.00 C ATOM 495 CG ASN A 33 -4.898 8.029 7.697 1.00 10.00 C ATOM 496 OD1 ASN A 33 -5.257 7.519 8.753 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.892 9.348 7.527 1.00 10.00 N ATOM 0 H ASN A 33 -1.655 7.096 6.917 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.945 5.340 7.489 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -4.077 7.814 5.739 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.385 6.704 6.097 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -5.191 9.961 8.285 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.589 9.746 6.638 1.00 10.00 H new ATOM 504 N ALA A 34 -3.898 4.644 4.913 1.00 10.00 N ATOM 505 CA ALA A 34 -3.695 4.006 3.623 1.00 10.00 C ATOM 506 C ALA A 34 -4.944 3.239 3.161 1.00 10.00 C ATOM 507 O ALA A 34 -4.857 2.034 2.932 1.00 10.00 O ATOM 508 CB ALA A 34 -2.489 3.072 3.720 1.00 10.00 C ATOM 0 H ALA A 34 -4.794 4.404 5.336 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.507 4.777 2.876 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.326 2.587 2.758 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.604 3.648 3.991 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.676 2.314 4.481 1.00 10.00 H new ATOM 514 N PRO A 35 -6.103 3.902 3.014 1.00 10.00 N ATOM 515 CA PRO A 35 -7.300 3.252 2.502 1.00 10.00 C ATOM 516 C PRO A 35 -7.129 2.890 1.018 1.00 10.00 C ATOM 517 O PRO A 35 -6.634 3.700 0.233 1.00 10.00 O ATOM 518 CB PRO A 35 -8.427 4.265 2.720 1.00 10.00 C ATOM 519 CG PRO A 35 -7.710 5.613 2.648 1.00 10.00 C ATOM 520 CD PRO A 35 -6.349 5.314 3.279 1.00 10.00 C ATOM 0 HA PRO A 35 -7.513 2.311 3.010 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.198 4.179 1.955 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.916 4.121 3.683 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.610 5.962 1.620 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -8.248 6.386 3.197 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.568 5.938 2.844 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.359 5.517 4.350 1.00 10.00 H new ATOM 528 N VAL A 36 -7.527 1.674 0.634 1.00 10.00 N ATOM 529 CA VAL A 36 -7.426 1.163 -0.732 1.00 10.00 C ATOM 530 C VAL A 36 -8.711 1.448 -1.522 1.00 10.00 C ATOM 531 O VAL A 36 -9.805 1.357 -0.966 1.00 10.00 O ATOM 532 CB VAL A 36 -7.164 -0.348 -0.664 1.00 10.00 C ATOM 533 CG1 VAL A 36 -7.117 -0.971 -2.061 1.00 10.00 C ATOM 534 CG2 VAL A 36 -5.837 -0.658 0.036 1.00 10.00 C ATOM 0 H VAL A 36 -7.938 1.002 1.282 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.607 1.663 -1.249 1.00 10.00 H new ATOM 0 HB VAL A 36 -7.990 -0.774 -0.095 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -6.930 -2.041 -1.976 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -8.070 -0.808 -2.564 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -6.318 -0.508 -2.639 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.685 -1.737 0.066 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -5.019 -0.191 -0.512 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.862 -0.267 1.053 1.00 10.00 H new ATOM 544 N ASN A 37 -8.601 1.745 -2.827 1.00 10.00 N ATOM 545 CA ASN A 37 -9.746 2.000 -3.698 1.00 10.00 C ATOM 546 C ASN A 37 -9.904 0.934 -4.797 1.00 10.00 C ATOM 547 O ASN A 37 -9.475 1.118 -5.939 1.00 10.00 O ATOM 548 CB ASN A 37 -9.692 3.432 -4.236 1.00 10.00 C ATOM 549 CG ASN A 37 -8.339 3.886 -4.763 1.00 10.00 C ATOM 550 OD1 ASN A 37 -7.711 4.777 -4.205 1.00 10.00 O ATOM 551 ND2 ASN A 37 -7.884 3.300 -5.859 1.00 10.00 N ATOM 0 H ASN A 37 -7.703 1.814 -3.306 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.655 1.913 -3.103 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -10.425 3.528 -5.037 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -9.999 4.112 -3.441 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -6.991 3.588 -6.258 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -8.427 2.560 -6.305 1.00 10.00 H new ATOM 558 N PHE A 38 -10.587 -0.160 -4.433 1.00 10.00 N ATOM 559 CA PHE A 38 -10.963 -1.282 -5.290 1.00 10.00 C ATOM 560 C PHE A 38 -11.926 -0.804 -6.382 1.00 10.00 C ATOM 561 O PHE A 38 -13.144 -0.867 -6.220 1.00 10.00 O ATOM 562 CB PHE A 38 -11.598 -2.381 -4.424 1.00 10.00 C ATOM 563 CG PHE A 38 -11.667 -3.750 -5.073 1.00 10.00 C ATOM 564 CD1 PHE A 38 -10.526 -4.569 -5.063 1.00 10.00 C ATOM 565 CD2 PHE A 38 -12.877 -4.252 -5.589 1.00 10.00 C ATOM 566 CE1 PHE A 38 -10.620 -5.910 -5.463 1.00 10.00 C ATOM 567 CE2 PHE A 38 -12.961 -5.591 -6.017 1.00 10.00 C ATOM 568 CZ PHE A 38 -11.840 -6.435 -5.917 1.00 10.00 C ATOM 0 H PHE A 38 -10.909 -0.288 -3.474 1.00 10.00 H new ATOM 0 HA PHE A 38 -10.081 -1.692 -5.782 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.032 -2.464 -3.496 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.608 -2.072 -4.155 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -9.575 -4.166 -4.747 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -13.742 -3.609 -5.657 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.747 -6.544 -5.421 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -13.887 -5.970 -6.423 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.917 -7.478 -6.187 1.00 10.00 H new ATOM 578 N ALA A 39 -11.356 -0.268 -7.456 1.00 10.00 N ATOM 579 CA ALA A 39 -11.994 0.425 -8.561 1.00 10.00 C ATOM 580 C ALA A 39 -10.923 0.994 -9.493 1.00 10.00 C ATOM 581 O ALA A 39 -11.028 0.879 -10.711 1.00 10.00 O ATOM 582 CB ALA A 39 -12.823 1.582 -8.009 1.00 10.00 C ATOM 0 H ALA A 39 -10.345 -0.314 -7.583 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.630 -0.271 -9.108 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.306 2.109 -8.832 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.583 1.194 -7.331 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.173 2.271 -7.470 1.00 10.00 H new ATOM 588 N LEU A 40 -9.945 1.697 -8.908 1.00 10.00 N ATOM 589 CA LEU A 40 -8.876 2.392 -9.627 1.00 10.00 C ATOM 590 C LEU A 40 -7.539 1.694 -9.400 1.00 10.00 C ATOM 591 O LEU A 40 -6.553 2.019 -10.057 1.00 10.00 O ATOM 592 CB LEU A 40 -8.739 3.848 -9.158 1.00 10.00 C ATOM 593 CG LEU A 40 -10.014 4.652 -9.049 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.947 5.675 -7.911 1.00 10.00 C ATOM 595 CD2 LEU A 40 -10.345 5.341 -10.373 1.00 10.00 C ATOM 0 H LEU A 40 -9.876 1.799 -7.895 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.139 2.375 -10.685 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -8.254 3.846 -8.182 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -8.069 4.365 -9.846 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.816 3.951 -8.816 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.883 6.232 -7.867 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.788 5.157 -6.965 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.122 6.365 -8.090 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -11.267 5.912 -10.265 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.532 6.013 -10.647 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -10.473 4.590 -11.152 1.00 10.00 H new ATOM 607 N GLU A 41 -7.510 0.775 -8.435 1.00 10.00 N ATOM 608 CA GLU A 41 -6.392 -0.106 -8.145 1.00 10.00 C ATOM 609 C GLU A 41 -5.185 0.710 -7.719 1.00 10.00 C ATOM 610 O GLU A 41 -4.067 0.557 -8.209 1.00 10.00 O ATOM 611 CB GLU A 41 -6.166 -1.082 -9.306 1.00 10.00 C ATOM 612 CG GLU A 41 -7.123 -2.272 -9.170 1.00 10.00 C ATOM 613 CD GLU A 41 -8.605 -1.896 -9.083 1.00 10.00 C ATOM 614 OE1 GLU A 41 -9.015 -1.356 -8.025 1.00 10.00 O ATOM 615 OE2 GLU A 41 -9.314 -2.130 -10.083 1.00 10.00 O ATOM 0 H GLU A 41 -8.302 0.622 -7.810 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.610 -0.747 -7.291 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -6.331 -0.576 -10.257 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.133 -1.431 -9.306 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -6.980 -2.935 -10.023 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -6.853 -2.838 -8.278 1.00 10.00 H new ATOM 622 N THR A 42 -5.454 1.559 -6.731 1.00 10.00 N ATOM 623 CA THR A 42 -4.493 2.427 -6.103 1.00 10.00 C ATOM 624 C THR A 42 -4.786 2.439 -4.603 1.00 10.00 C ATOM 625 O THR A 42 -5.884 2.079 -4.163 1.00 10.00 O ATOM 626 CB THR A 42 -4.521 3.813 -6.800 1.00 10.00 C ATOM 627 OG1 THR A 42 -3.482 3.893 -7.749 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.395 5.025 -5.871 1.00 10.00 C ATOM 0 H THR A 42 -6.390 1.656 -6.338 1.00 10.00 H new ATOM 0 HA THR A 42 -3.466 2.078 -6.215 1.00 10.00 H new ATOM 0 HB THR A 42 -5.511 3.867 -7.252 1.00 10.00 H new ATOM 0 HG1 THR A 42 -2.618 3.800 -7.296 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.426 5.941 -6.461 1.00 10.00 H new ATOM 0 HG22 THR A 42 -5.220 5.024 -5.158 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.449 4.973 -5.332 1.00 10.00 H new ATOM 636 N VAL A 43 -3.777 2.828 -3.828 1.00 10.00 N ATOM 637 CA VAL A 43 -3.901 3.117 -2.412 1.00 10.00 C ATOM 638 C VAL A 43 -3.283 4.491 -2.151 1.00 10.00 C ATOM 639 O VAL A 43 -2.197 4.786 -2.657 1.00 10.00 O ATOM 640 CB VAL A 43 -3.261 1.981 -1.600 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.757 1.836 -1.867 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.505 2.156 -0.098 1.00 10.00 C ATOM 0 H VAL A 43 -2.828 2.953 -4.182 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.943 3.163 -2.094 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.748 1.065 -1.935 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.358 1.018 -1.267 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.594 1.623 -2.924 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.249 2.763 -1.601 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -3.038 1.334 0.445 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -3.074 3.101 0.233 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.577 2.158 0.099 1.00 10.00 H new ATOM 652 N THR A 44 -3.998 5.327 -1.397 1.00 10.00 N ATOM 653 CA THR A 44 -3.627 6.680 -1.040 1.00 10.00 C ATOM 654 C THR A 44 -2.987 6.625 0.346 1.00 10.00 C ATOM 655 O THR A 44 -3.698 6.686 1.349 1.00 10.00 O ATOM 656 CB THR A 44 -4.935 7.485 -1.012 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.882 6.770 -0.241 1.00 10.00 O ATOM 658 CG2 THR A 44 -5.533 7.690 -2.406 1.00 10.00 C ATOM 0 H THR A 44 -4.898 5.055 -1.002 1.00 10.00 H new ATOM 0 HA THR A 44 -2.922 7.137 -1.735 1.00 10.00 H new ATOM 0 HB THR A 44 -4.707 8.465 -0.592 1.00 10.00 H new ATOM 0 HG1 THR A 44 -5.467 6.477 0.597 1.00 10.00 H new ATOM 0 HG21 THR A 44 -6.456 8.265 -2.325 1.00 10.00 H new ATOM 0 HG22 THR A 44 -4.822 8.231 -3.031 1.00 10.00 H new ATOM 0 HG23 THR A 44 -5.748 6.721 -2.856 1.00 10.00 H new ATOM 666 N VAL A 45 -1.670 6.449 0.412 1.00 10.00 N ATOM 667 CA VAL A 45 -0.955 6.264 1.661 1.00 10.00 C ATOM 668 C VAL A 45 -0.548 7.618 2.223 1.00 10.00 C ATOM 669 O VAL A 45 0.159 8.389 1.577 1.00 10.00 O ATOM 670 CB VAL A 45 0.252 5.348 1.441 1.00 10.00 C ATOM 671 CG1 VAL A 45 1.021 5.062 2.737 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.246 4.026 0.855 1.00 10.00 C ATOM 0 H VAL A 45 -1.068 6.431 -0.411 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.603 5.781 2.392 1.00 10.00 H new ATOM 0 HB VAL A 45 0.938 5.855 0.763 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.866 4.408 2.522 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.385 5.999 3.158 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.359 4.575 3.453 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.600 3.359 0.691 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.945 3.561 1.550 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.748 4.215 -0.094 1.00 10.00 H new ATOM 682 N GLU A 46 -0.966 7.876 3.457 1.00 10.00 N ATOM 683 CA GLU A 46 -0.486 8.969 4.266 1.00 10.00 C ATOM 684 C GLU A 46 0.452 8.355 5.308 1.00 10.00 C ATOM 685 O GLU A 46 0.010 7.656 6.224 1.00 10.00 O ATOM 686 CB GLU A 46 -1.686 9.701 4.873 1.00 10.00 C ATOM 687 CG GLU A 46 -2.530 10.407 3.793 1.00 10.00 C ATOM 688 CD GLU A 46 -3.586 11.331 4.392 1.00 10.00 C ATOM 689 OE1 GLU A 46 -4.289 10.840 5.306 1.00 10.00 O ATOM 690 OE2 GLU A 46 -3.655 12.510 3.951 1.00 10.00 O ATOM 0 H GLU A 46 -1.670 7.308 3.928 1.00 10.00 H new ATOM 0 HA GLU A 46 0.068 9.717 3.699 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.310 8.990 5.415 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.335 10.435 5.598 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -1.873 10.984 3.142 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -3.018 9.658 3.170 1.00 10.00 H new ATOM 697 N TYR A 47 1.756 8.572 5.143 1.00 10.00 N ATOM 698 CA TYR A 47 2.793 8.069 6.031 1.00 10.00 C ATOM 699 C TYR A 47 3.820 9.173 6.249 1.00 10.00 C ATOM 700 O TYR A 47 3.658 10.281 5.734 1.00 10.00 O ATOM 701 CB TYR A 47 3.425 6.790 5.460 1.00 10.00 C ATOM 702 CG TYR A 47 4.407 6.990 4.323 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.962 7.351 3.037 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.787 6.873 4.578 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.897 7.609 2.022 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.713 7.183 3.573 1.00 10.00 C ATOM 707 CZ TYR A 47 6.271 7.566 2.301 1.00 10.00 C ATOM 708 OH TYR A 47 7.172 8.006 1.384 1.00 10.00 O ATOM 0 H TYR A 47 2.126 9.118 4.365 1.00 10.00 H new ATOM 0 HA TYR A 47 2.365 7.795 6.995 1.00 10.00 H new ATOM 0 HB2 TYR A 47 3.936 6.268 6.269 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.625 6.136 5.113 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.905 7.429 2.832 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.131 6.545 5.547 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.557 7.841 1.023 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.771 7.126 3.780 1.00 10.00 H new ATOM 0 HH TYR A 47 7.186 8.986 1.383 1.00 10.00 H new ATOM 718 N ASN A 48 4.858 8.877 7.031 1.00 10.00 N ATOM 719 CA ASN A 48 5.940 9.808 7.318 1.00 10.00 C ATOM 720 C ASN A 48 7.254 9.277 6.728 1.00 10.00 C ATOM 721 O ASN A 48 7.715 8.226 7.184 1.00 10.00 O ATOM 722 CB ASN A 48 6.040 9.970 8.835 1.00 10.00 C ATOM 723 CG ASN A 48 7.113 10.963 9.258 1.00 10.00 C ATOM 724 OD1 ASN A 48 7.859 11.500 8.448 1.00 10.00 O ATOM 725 ND2 ASN A 48 7.192 11.212 10.560 1.00 10.00 N ATOM 0 H ASN A 48 4.969 7.971 7.487 1.00 10.00 H new ATOM 0 HA ASN A 48 5.743 10.779 6.864 1.00 10.00 H new ATOM 0 HB2 ASN A 48 5.076 10.298 9.224 1.00 10.00 H new ATOM 0 HB3 ASN A 48 6.253 9.000 9.285 1.00 10.00 H new ATOM 0 HD21 ASN A 48 7.889 11.868 10.912 1.00 10.00 H new ATOM 0 HD22 ASN A 48 6.555 10.748 11.208 1.00 10.00 H new ATOM 732 N PRO A 49 7.876 9.968 5.753 1.00 10.00 N ATOM 733 CA PRO A 49 9.156 9.572 5.180 1.00 10.00 C ATOM 734 C PRO A 49 10.274 9.823 6.193 1.00 10.00 C ATOM 735 O PRO A 49 11.069 10.754 6.068 1.00 10.00 O ATOM 736 CB PRO A 49 9.298 10.392 3.895 1.00 10.00 C ATOM 737 CG PRO A 49 8.565 11.683 4.244 1.00 10.00 C ATOM 738 CD PRO A 49 7.412 11.195 5.120 1.00 10.00 C ATOM 0 HA PRO A 49 9.216 8.510 4.944 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.343 10.574 3.643 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.847 9.888 3.040 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.209 12.382 4.777 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.206 12.197 3.353 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.147 11.943 5.867 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.519 11.011 4.522 1.00 10.00 H new ATOM 746 N LYS A 50 10.318 8.973 7.219 1.00 10.00 N ATOM 747 CA LYS A 50 11.278 9.042 8.304 1.00 10.00 C ATOM 748 C LYS A 50 11.560 7.631 8.815 1.00 10.00 C ATOM 749 O LYS A 50 12.720 7.241 8.920 1.00 10.00 O ATOM 750 CB LYS A 50 10.735 9.965 9.408 1.00 10.00 C ATOM 751 CG LYS A 50 11.841 10.517 10.316 1.00 10.00 C ATOM 752 CD LYS A 50 12.517 11.721 9.635 1.00 10.00 C ATOM 753 CE LYS A 50 13.758 12.212 10.392 1.00 10.00 C ATOM 754 NZ LYS A 50 13.440 12.689 11.753 1.00 10.00 N ATOM 0 H LYS A 50 9.664 8.196 7.314 1.00 10.00 H new ATOM 0 HA LYS A 50 12.222 9.464 7.958 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.199 10.796 8.950 1.00 10.00 H new ATOM 0 HB3 LYS A 50 10.014 9.415 10.013 1.00 10.00 H new ATOM 0 HG2 LYS A 50 11.421 10.818 11.276 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.579 9.741 10.520 1.00 10.00 H new ATOM 0 HD2 LYS A 50 12.802 11.446 8.619 1.00 10.00 H new ATOM 0 HD3 LYS A 50 11.799 12.537 9.555 1.00 10.00 H new ATOM 0 HE2 LYS A 50 14.485 11.402 10.455 1.00 10.00 H new ATOM 0 HE3 LYS A 50 14.228 13.018 9.829 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 14.309 13.025 12.215 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 12.754 13.469 11.696 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 13.032 11.909 12.308 1.00 10.00 H new ATOM 768 N GLU A 51 10.496 6.885 9.130 1.00 10.00 N ATOM 769 CA GLU A 51 10.578 5.538 9.684 1.00 10.00 C ATOM 770 C GLU A 51 10.112 4.474 8.679 1.00 10.00 C ATOM 771 O GLU A 51 10.369 3.290 8.886 1.00 10.00 O ATOM 772 CB GLU A 51 9.777 5.488 10.991 1.00 10.00 C ATOM 773 CG GLU A 51 10.275 6.561 11.973 1.00 10.00 C ATOM 774 CD GLU A 51 9.649 6.404 13.350 1.00 10.00 C ATOM 775 OE1 GLU A 51 8.400 6.390 13.400 1.00 10.00 O ATOM 776 OE2 GLU A 51 10.430 6.330 14.322 1.00 10.00 O ATOM 0 H GLU A 51 9.538 7.211 9.003 1.00 10.00 H new ATOM 0 HA GLU A 51 11.621 5.304 9.899 1.00 10.00 H new ATOM 0 HB2 GLU A 51 8.719 5.643 10.781 1.00 10.00 H new ATOM 0 HB3 GLU A 51 9.871 4.501 11.444 1.00 10.00 H new ATOM 0 HG2 GLU A 51 11.360 6.500 12.058 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.042 7.550 11.579 1.00 10.00 H new ATOM 783 N ALA A 52 9.455 4.888 7.589 1.00 10.00 N ATOM 784 CA ALA A 52 9.053 4.028 6.486 1.00 10.00 C ATOM 785 C ALA A 52 9.242 4.804 5.183 1.00 10.00 C ATOM 786 O ALA A 52 9.426 6.021 5.220 1.00 10.00 O ATOM 787 CB ALA A 52 7.586 3.625 6.666 1.00 10.00 C ATOM 0 H ALA A 52 9.183 5.862 7.453 1.00 10.00 H new ATOM 0 HA ALA A 52 9.658 3.122 6.461 1.00 10.00 H new ATOM 0 HB1 ALA A 52 7.282 2.981 5.841 1.00 10.00 H new ATOM 0 HB2 ALA A 52 7.469 3.089 7.608 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.962 4.519 6.677 1.00 10.00 H new ATOM 793 N SER A 53 9.178 4.110 4.046 1.00 10.00 N ATOM 794 CA SER A 53 9.233 4.662 2.706 1.00 10.00 C ATOM 795 C SER A 53 8.287 3.864 1.827 1.00 10.00 C ATOM 796 O SER A 53 7.988 2.701 2.111 1.00 10.00 O ATOM 797 CB SER A 53 10.664 4.610 2.159 1.00 10.00 C ATOM 798 OG SER A 53 10.721 4.739 0.744 1.00 10.00 O ATOM 0 H SER A 53 9.081 3.095 4.043 1.00 10.00 H new ATOM 0 HA SER A 53 8.930 5.709 2.719 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.251 5.407 2.615 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.125 3.667 2.452 1.00 10.00 H new ATOM 0 HG SER A 53 11.655 4.701 0.449 1.00 10.00 H new ATOM 804 N VAL A 54 7.904 4.494 0.717 1.00 10.00 N ATOM 805 CA VAL A 54 7.261 3.854 -0.417 1.00 10.00 C ATOM 806 C VAL A 54 8.024 2.584 -0.799 1.00 10.00 C ATOM 807 O VAL A 54 7.416 1.552 -1.073 1.00 10.00 O ATOM 808 CB VAL A 54 7.110 4.859 -1.574 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.435 5.429 -2.100 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.326 4.253 -2.744 1.00 10.00 C ATOM 0 H VAL A 54 8.040 5.496 0.584 1.00 10.00 H new ATOM 0 HA VAL A 54 6.251 3.539 -0.153 1.00 10.00 H new ATOM 0 HB VAL A 54 6.557 5.691 -1.138 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.234 6.127 -2.913 1.00 10.00 H new ATOM 0 HG12 VAL A 54 8.953 5.950 -1.294 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.061 4.616 -2.467 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.238 4.989 -3.543 1.00 10.00 H new ATOM 0 HG22 VAL A 54 6.851 3.373 -3.117 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.331 3.965 -2.405 1.00 10.00 H new ATOM 820 N SER A 55 9.360 2.645 -0.767 1.00 10.00 N ATOM 821 CA SER A 55 10.210 1.507 -1.092 1.00 10.00 C ATOM 822 C SER A 55 10.023 0.358 -0.097 1.00 10.00 C ATOM 823 O SER A 55 9.983 -0.804 -0.502 1.00 10.00 O ATOM 824 CB SER A 55 11.673 1.953 -1.144 1.00 10.00 C ATOM 825 OG SER A 55 11.830 2.950 -2.138 1.00 10.00 O ATOM 0 H SER A 55 9.877 3.487 -0.514 1.00 10.00 H new ATOM 0 HA SER A 55 9.917 1.131 -2.072 1.00 10.00 H new ATOM 0 HB2 SER A 55 11.980 2.342 -0.173 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.316 1.101 -1.364 1.00 10.00 H new ATOM 0 HG SER A 55 12.767 3.236 -2.169 1.00 10.00 H new ATOM 831 N ASP A 56 9.911 0.675 1.196 1.00 10.00 N ATOM 832 CA ASP A 56 9.823 -0.339 2.239 1.00 10.00 C ATOM 833 C ASP A 56 8.480 -1.039 2.102 1.00 10.00 C ATOM 834 O ASP A 56 8.406 -2.247 1.874 1.00 10.00 O ATOM 835 CB ASP A 56 9.959 0.285 3.636 1.00 10.00 C ATOM 836 CG ASP A 56 11.229 1.097 3.812 1.00 10.00 C ATOM 837 OD1 ASP A 56 12.284 0.650 3.317 1.00 10.00 O ATOM 838 OD2 ASP A 56 11.099 2.186 4.408 1.00 10.00 O ATOM 0 H ASP A 56 9.879 1.634 1.542 1.00 10.00 H new ATOM 0 HA ASP A 56 10.639 -1.052 2.124 1.00 10.00 H new ATOM 0 HB2 ASP A 56 9.098 0.926 3.825 1.00 10.00 H new ATOM 0 HB3 ASP A 56 9.937 -0.508 4.384 1.00 10.00 H new ATOM 843 N LEU A 57 7.403 -0.253 2.204 1.00 10.00 N ATOM 844 CA LEU A 57 6.051 -0.760 2.045 1.00 10.00 C ATOM 845 C LEU A 57 5.884 -1.518 0.734 1.00 10.00 C ATOM 846 O LEU A 57 5.152 -2.509 0.706 1.00 10.00 O ATOM 847 CB LEU A 57 5.005 0.335 2.300 1.00 10.00 C ATOM 848 CG LEU A 57 5.015 1.508 1.319 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.198 1.228 0.058 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.456 2.748 2.029 1.00 10.00 C ATOM 0 H LEU A 57 7.452 0.747 2.398 1.00 10.00 H new ATOM 0 HA LEU A 57 5.866 -1.506 2.818 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.016 -0.122 2.280 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.155 0.726 3.306 1.00 10.00 H new ATOM 0 HG LEU A 57 6.045 1.670 1.001 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.240 2.094 -0.603 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.609 0.359 -0.456 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.162 1.031 0.332 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.457 3.593 1.340 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.436 2.550 2.358 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.077 2.983 2.893 1.00 10.00 H new ATOM 862 N LYS A 58 6.598 -1.119 -0.329 1.00 10.00 N ATOM 863 CA LYS A 58 6.641 -1.902 -1.553 1.00 10.00 C ATOM 864 C LYS A 58 6.880 -3.378 -1.239 1.00 10.00 C ATOM 865 O LYS A 58 6.088 -4.232 -1.632 1.00 10.00 O ATOM 866 CB LYS A 58 7.720 -1.382 -2.523 1.00 10.00 C ATOM 867 CG LYS A 58 7.155 -1.209 -3.931 1.00 10.00 C ATOM 868 CD LYS A 58 6.619 -2.516 -4.531 1.00 10.00 C ATOM 869 CE LYS A 58 7.638 -3.215 -5.438 1.00 10.00 C ATOM 870 NZ LYS A 58 8.640 -3.974 -4.666 1.00 10.00 N ATOM 0 H LYS A 58 7.148 -0.261 -0.357 1.00 10.00 H new ATOM 0 HA LYS A 58 5.673 -1.797 -2.043 1.00 10.00 H new ATOM 0 HB2 LYS A 58 8.108 -0.429 -2.164 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.558 -2.078 -2.547 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.352 -0.472 -3.906 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.933 -0.810 -4.582 1.00 10.00 H new ATOM 0 HD2 LYS A 58 6.335 -3.191 -3.724 1.00 10.00 H new ATOM 0 HD3 LYS A 58 5.716 -2.304 -5.103 1.00 10.00 H new ATOM 0 HE2 LYS A 58 7.116 -3.890 -6.116 1.00 10.00 H new ATOM 0 HE3 LYS A 58 8.143 -2.472 -6.055 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 9.595 -3.711 -4.983 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 8.538 -3.754 -3.655 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 8.494 -4.993 -4.815 1.00 10.00 H new ATOM 884 N GLU A 59 7.965 -3.683 -0.528 1.00 10.00 N ATOM 885 CA GLU A 59 8.310 -5.059 -0.214 1.00 10.00 C ATOM 886 C GLU A 59 7.197 -5.730 0.595 1.00 10.00 C ATOM 887 O GLU A 59 6.982 -6.933 0.489 1.00 10.00 O ATOM 888 CB GLU A 59 9.648 -5.112 0.530 1.00 10.00 C ATOM 889 CG GLU A 59 10.406 -6.381 0.120 1.00 10.00 C ATOM 890 CD GLU A 59 11.665 -6.578 0.947 1.00 10.00 C ATOM 891 OE1 GLU A 59 11.512 -7.038 2.099 1.00 10.00 O ATOM 892 OE2 GLU A 59 12.749 -6.270 0.409 1.00 10.00 O ATOM 0 H GLU A 59 8.618 -2.991 -0.160 1.00 10.00 H new ATOM 0 HA GLU A 59 8.416 -5.613 -1.147 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.242 -4.228 0.297 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.479 -5.107 1.607 1.00 10.00 H new ATOM 0 HG2 GLU A 59 9.755 -7.247 0.237 1.00 10.00 H new ATOM 0 HG3 GLU A 59 10.670 -6.321 -0.936 1.00 10.00 H new ATOM 899 N ALA A 60 6.473 -4.949 1.399 1.00 10.00 N ATOM 900 CA ALA A 60 5.455 -5.484 2.288 1.00 10.00 C ATOM 901 C ALA A 60 4.307 -6.054 1.462 1.00 10.00 C ATOM 902 O ALA A 60 3.875 -7.183 1.691 1.00 10.00 O ATOM 903 CB ALA A 60 4.971 -4.418 3.276 1.00 10.00 C ATOM 0 H ALA A 60 6.579 -3.936 1.448 1.00 10.00 H new ATOM 0 HA ALA A 60 5.885 -6.290 2.882 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.210 -4.846 3.929 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.811 -4.071 3.877 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.547 -3.578 2.726 1.00 10.00 H new ATOM 909 N VAL A 61 3.819 -5.282 0.489 1.00 10.00 N ATOM 910 CA VAL A 61 2.800 -5.763 -0.421 1.00 10.00 C ATOM 911 C VAL A 61 3.357 -6.850 -1.343 1.00 10.00 C ATOM 912 O VAL A 61 2.714 -7.882 -1.517 1.00 10.00 O ATOM 913 CB VAL A 61 2.156 -4.601 -1.174 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.295 -3.750 -0.231 1.00 10.00 C ATOM 915 CG2 VAL A 61 3.129 -3.697 -1.924 1.00 10.00 C ATOM 0 H VAL A 61 4.119 -4.322 0.318 1.00 10.00 H new ATOM 0 HA VAL A 61 2.004 -6.235 0.155 1.00 10.00 H new ATOM 0 HB VAL A 61 1.540 -5.079 -1.936 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.847 -2.928 -0.790 1.00 10.00 H new ATOM 0 HG12 VAL A 61 0.507 -4.368 0.200 1.00 10.00 H new ATOM 0 HG13 VAL A 61 1.919 -3.348 0.568 1.00 10.00 H new ATOM 0 HG21 VAL A 61 2.575 -2.903 -2.426 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.835 -3.257 -1.219 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.673 -4.283 -2.664 1.00 10.00 H new ATOM 925 N ASP A 62 4.564 -6.658 -1.884 1.00 10.00 N ATOM 926 CA ASP A 62 5.262 -7.687 -2.667 1.00 10.00 C ATOM 927 C ASP A 62 5.192 -9.036 -1.942 1.00 10.00 C ATOM 928 O ASP A 62 4.811 -10.050 -2.521 1.00 10.00 O ATOM 929 CB ASP A 62 6.724 -7.287 -2.935 1.00 10.00 C ATOM 930 CG ASP A 62 7.099 -7.322 -4.410 1.00 10.00 C ATOM 931 OD1 ASP A 62 6.988 -8.387 -5.049 1.00 10.00 O ATOM 932 OD2 ASP A 62 7.523 -6.248 -4.891 1.00 10.00 O ATOM 0 H ASP A 62 5.086 -5.786 -1.793 1.00 10.00 H new ATOM 0 HA ASP A 62 4.764 -7.780 -3.632 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.895 -6.283 -2.548 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.383 -7.958 -2.384 1.00 10.00 H new ATOM 937 N LYS A 63 5.496 -9.031 -0.640 1.00 10.00 N ATOM 938 CA LYS A 63 5.503 -10.223 0.199 1.00 10.00 C ATOM 939 C LYS A 63 4.146 -10.938 0.260 1.00 10.00 C ATOM 940 O LYS A 63 4.098 -12.115 0.613 1.00 10.00 O ATOM 941 CB LYS A 63 6.005 -9.843 1.599 1.00 10.00 C ATOM 942 CG LYS A 63 6.518 -11.039 2.413 1.00 10.00 C ATOM 943 CD LYS A 63 5.570 -11.371 3.572 1.00 10.00 C ATOM 944 CE LYS A 63 6.023 -12.624 4.338 1.00 10.00 C ATOM 945 NZ LYS A 63 7.413 -12.519 4.837 1.00 10.00 N ATOM 0 H LYS A 63 5.748 -8.181 -0.135 1.00 10.00 H new ATOM 0 HA LYS A 63 6.181 -10.946 -0.255 1.00 10.00 H new ATOM 0 HB2 LYS A 63 6.806 -9.110 1.502 1.00 10.00 H new ATOM 0 HB3 LYS A 63 5.196 -9.361 2.148 1.00 10.00 H new ATOM 0 HG2 LYS A 63 6.619 -11.908 1.763 1.00 10.00 H new ATOM 0 HG3 LYS A 63 7.511 -10.816 2.804 1.00 10.00 H new ATOM 0 HD2 LYS A 63 5.522 -10.524 4.256 1.00 10.00 H new ATOM 0 HD3 LYS A 63 4.563 -11.526 3.185 1.00 10.00 H new ATOM 0 HE2 LYS A 63 5.351 -12.793 5.180 1.00 10.00 H new ATOM 0 HE3 LYS A 63 5.941 -13.493 3.685 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 7.626 -13.336 5.444 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 8.071 -12.505 4.032 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 7.519 -11.642 5.386 1.00 10.00 H new ATOM 959 N LEU A 64 3.043 -10.244 -0.044 1.00 10.00 N ATOM 960 CA LEU A 64 1.718 -10.849 -0.158 1.00 10.00 C ATOM 961 C LEU A 64 1.510 -11.505 -1.530 1.00 10.00 C ATOM 962 O LEU A 64 0.692 -12.416 -1.632 1.00 10.00 O ATOM 963 CB LEU A 64 0.631 -9.803 0.118 1.00 10.00 C ATOM 964 CG LEU A 64 0.514 -9.445 1.607 1.00 10.00 C ATOM 965 CD1 LEU A 64 0.032 -8.000 1.782 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.458 -10.412 2.297 1.00 10.00 C ATOM 0 H LEU A 64 3.049 -9.239 -0.218 1.00 10.00 H new ATOM 0 HA LEU A 64 1.644 -11.637 0.591 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.849 -8.900 -0.452 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.328 -10.180 -0.237 1.00 10.00 H new ATOM 0 HG LEU A 64 1.499 -9.535 2.066 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -0.044 -7.768 2.844 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.742 -7.320 1.312 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -0.946 -7.883 1.315 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.538 -10.155 3.353 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.440 -10.336 1.829 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -0.087 -11.432 2.199 1.00 10.00 H new ATOM 978 N GLY A 65 2.227 -11.069 -2.574 1.00 10.00 N ATOM 979 CA GLY A 65 2.231 -11.717 -3.883 1.00 10.00 C ATOM 980 C GLY A 65 2.066 -10.711 -5.021 1.00 10.00 C ATOM 981 O GLY A 65 2.860 -10.690 -5.960 1.00 10.00 O ATOM 0 H GLY A 65 2.827 -10.245 -2.528 1.00 10.00 H new ATOM 0 HA2 GLY A 65 3.165 -12.263 -4.014 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.425 -12.450 -3.927 1.00 10.00 H new ATOM 985 N TYR A 66 1.011 -9.897 -4.955 1.00 10.00 N ATOM 986 CA TYR A 66 0.770 -8.819 -5.915 1.00 10.00 C ATOM 987 C TYR A 66 1.887 -7.776 -5.846 1.00 10.00 C ATOM 988 O TYR A 66 2.640 -7.741 -4.876 1.00 10.00 O ATOM 989 CB TYR A 66 -0.605 -8.180 -5.672 1.00 10.00 C ATOM 990 CG TYR A 66 -1.066 -8.139 -4.232 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.300 -7.472 -3.258 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.233 -8.825 -3.853 1.00 10.00 C ATOM 993 CE1 TYR A 66 -0.745 -7.426 -1.932 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.680 -8.764 -2.526 1.00 10.00 C ATOM 995 CZ TYR A 66 -1.980 -7.996 -1.587 1.00 10.00 C ATOM 996 OH TYR A 66 -2.542 -7.720 -0.380 1.00 10.00 O ATOM 0 H TYR A 66 0.296 -9.968 -4.231 1.00 10.00 H new ATOM 0 HA TYR A 66 0.771 -9.241 -6.920 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.584 -7.160 -6.056 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.347 -8.725 -6.256 1.00 10.00 H new ATOM 0 HD1 TYR A 66 0.630 -6.996 -3.533 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.784 -9.398 -4.583 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.138 -6.952 -1.175 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.564 -9.309 -2.228 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.473 -7.444 -0.508 1.00 10.00 H new ATOM 1006 N LYS A 67 1.979 -6.909 -6.860 1.00 10.00 N ATOM 1007 CA LYS A 67 2.970 -5.837 -6.888 1.00 10.00 C ATOM 1008 C LYS A 67 2.299 -4.471 -6.811 1.00 10.00 C ATOM 1009 O LYS A 67 1.088 -4.339 -6.985 1.00 10.00 O ATOM 1010 CB LYS A 67 3.893 -5.950 -8.117 1.00 10.00 C ATOM 1011 CG LYS A 67 5.282 -6.503 -7.756 1.00 10.00 C ATOM 1012 CD LYS A 67 6.343 -5.962 -8.728 1.00 10.00 C ATOM 1013 CE LYS A 67 7.760 -6.421 -8.347 1.00 10.00 C ATOM 1014 NZ LYS A 67 8.128 -7.708 -8.966 1.00 10.00 N ATOM 0 H LYS A 67 1.371 -6.933 -7.678 1.00 10.00 H new ATOM 0 HA LYS A 67 3.601 -5.945 -6.006 1.00 10.00 H new ATOM 0 HB2 LYS A 67 3.428 -6.599 -8.859 1.00 10.00 H new ATOM 0 HB3 LYS A 67 4.004 -4.968 -8.577 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.538 -6.222 -6.735 1.00 10.00 H new ATOM 0 HG3 LYS A 67 5.268 -7.592 -7.793 1.00 10.00 H new ATOM 0 HD2 LYS A 67 6.113 -6.297 -9.739 1.00 10.00 H new ATOM 0 HD3 LYS A 67 6.305 -4.873 -8.737 1.00 10.00 H new ATOM 0 HE2 LYS A 67 8.478 -5.659 -8.650 1.00 10.00 H new ATOM 0 HE3 LYS A 67 7.829 -6.511 -7.263 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 9.092 -7.970 -8.676 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 7.462 -8.445 -8.658 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 8.091 -7.619 -10.001 1.00 10.00 H new ATOM 1028 N LEU A 68 3.122 -3.457 -6.538 1.00 10.00 N ATOM 1029 CA LEU A 68 2.756 -2.078 -6.312 1.00 10.00 C ATOM 1030 C LEU A 68 3.851 -1.238 -6.959 1.00 10.00 C ATOM 1031 O LEU A 68 4.931 -1.753 -7.259 1.00 10.00 O ATOM 1032 CB LEU A 68 2.634 -1.853 -4.801 1.00 10.00 C ATOM 1033 CG LEU A 68 2.279 -0.436 -4.310 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.360 -0.518 -3.084 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.540 0.327 -3.875 1.00 10.00 C ATOM 0 H LEU A 68 4.130 -3.599 -6.466 1.00 10.00 H new ATOM 0 HA LEU A 68 1.796 -1.802 -6.748 1.00 10.00 H new ATOM 0 HB2 LEU A 68 1.876 -2.538 -4.421 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.581 -2.138 -4.343 1.00 10.00 H new ATOM 0 HG LEU A 68 1.790 0.080 -5.136 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.115 0.489 -2.745 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.443 -1.044 -3.351 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.868 -1.057 -2.284 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.262 1.324 -3.533 1.00 10.00 H new ATOM 0 HD22 LEU A 68 4.030 -0.212 -3.064 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.224 0.411 -4.720 1.00 10.00 H new ATOM 1047 N LYS A 69 3.575 0.040 -7.176 1.00 10.00 N ATOM 1048 CA LYS A 69 4.499 1.027 -7.688 1.00 10.00 C ATOM 1049 C LYS A 69 3.931 2.415 -7.406 1.00 10.00 C ATOM 1050 O LYS A 69 2.749 2.536 -7.096 1.00 10.00 O ATOM 1051 CB LYS A 69 4.733 0.777 -9.178 1.00 10.00 C ATOM 1052 CG LYS A 69 3.446 0.645 -10.007 1.00 10.00 C ATOM 1053 CD LYS A 69 3.784 0.283 -11.462 1.00 10.00 C ATOM 1054 CE LYS A 69 3.624 1.493 -12.390 1.00 10.00 C ATOM 1055 NZ LYS A 69 2.204 1.726 -12.719 1.00 10.00 N ATOM 0 H LYS A 69 2.652 0.431 -6.988 1.00 10.00 H new ATOM 0 HA LYS A 69 5.469 0.955 -7.196 1.00 10.00 H new ATOM 0 HB2 LYS A 69 5.329 1.595 -9.582 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.321 -0.134 -9.294 1.00 10.00 H new ATOM 0 HG2 LYS A 69 2.803 -0.122 -9.574 1.00 10.00 H new ATOM 0 HG3 LYS A 69 2.889 1.581 -9.978 1.00 10.00 H new ATOM 0 HD2 LYS A 69 4.807 -0.088 -11.518 1.00 10.00 H new ATOM 0 HD3 LYS A 69 3.133 -0.524 -11.798 1.00 10.00 H new ATOM 0 HE2 LYS A 69 4.040 2.380 -11.912 1.00 10.00 H new ATOM 0 HE3 LYS A 69 4.191 1.330 -13.307 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 2.002 2.746 -12.684 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 2.005 1.366 -13.674 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 1.602 1.230 -12.031 1.00 10.00 H new ATOM 1069 N LEU A 70 4.766 3.451 -7.495 1.00 10.00 N ATOM 1070 CA LEU A 70 4.354 4.824 -7.228 1.00 10.00 C ATOM 1071 C LEU A 70 3.386 5.327 -8.299 1.00 10.00 C ATOM 1072 O LEU A 70 3.432 4.886 -9.448 1.00 10.00 O ATOM 1073 CB LEU A 70 5.600 5.705 -7.020 1.00 10.00 C ATOM 1074 CG LEU A 70 5.439 7.234 -7.137 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.555 7.915 -6.335 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.554 7.714 -8.593 1.00 10.00 C ATOM 0 H LEU A 70 5.748 3.358 -7.755 1.00 10.00 H new ATOM 0 HA LEU A 70 3.785 4.874 -6.299 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.000 5.487 -6.030 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.353 5.393 -7.744 1.00 10.00 H new ATOM 0 HG LEU A 70 4.450 7.491 -6.757 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.450 8.997 -6.412 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.485 7.617 -5.289 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.524 7.616 -6.734 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.435 8.797 -8.630 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.533 7.443 -8.989 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.776 7.243 -9.194 1.00 10.00 H new ATOM 1088 N LYS A 71 2.502 6.241 -7.888 1.00 10.00 N ATOM 1089 CA LYS A 71 1.504 6.897 -8.722 1.00 10.00 C ATOM 1090 C LYS A 71 1.578 8.417 -8.556 1.00 10.00 C ATOM 1091 O LYS A 71 1.753 9.115 -9.552 1.00 10.00 O ATOM 1092 CB LYS A 71 0.111 6.329 -8.421 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.984 6.701 -9.431 1.00 10.00 C ATOM 1094 CD LYS A 71 -0.886 5.905 -10.745 1.00 10.00 C ATOM 1095 CE LYS A 71 -2.289 5.612 -11.310 1.00 10.00 C ATOM 1096 NZ LYS A 71 -2.308 4.450 -12.222 1.00 10.00 N ATOM 0 H LYS A 71 2.465 6.555 -6.918 1.00 10.00 H new ATOM 0 HA LYS A 71 1.713 6.691 -9.772 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.183 5.242 -8.372 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.197 6.672 -7.434 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -1.961 6.528 -8.980 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -0.920 7.766 -9.652 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -0.305 6.469 -11.475 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -0.356 4.969 -10.570 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.978 5.431 -10.485 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -2.652 6.491 -11.842 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -3.188 4.458 -12.776 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -1.493 4.501 -12.866 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -2.256 3.572 -11.667 1.00 10.00 H new