USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=17 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 Set 1.1: A 42 THR OG1 : rot 65:sc= 1.51 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 153:sc= 1.9 (180deg=1.04) USER MOD Set 2.1: A 13 THR OG1 : rot 15:sc= 0.727 USER MOD Set 2.2: A 14 CYS SG : rot 180:sc= -1.36 USER MOD Set 2.3: A 17 CYS SG : rot -86:sc= 1.01 USER MOD Single : A 4 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.492) USER MOD Single : A 12 MET CE :methyl -172:sc= -2.66 (180deg=-2.91) USER MOD Single : A 19 ASN : amide:sc= 1.16 K(o=1.2,f=-0.11) USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0674) USER MOD Single : A 26 ASN : amide:sc= 1.09 K(o=1.1,f=-0.0026) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.19 K(o=1.2,f=-0.11) USER MOD Single : A 37 ASN : amide:sc= -0.0378 X(o=-0.038,f=-0.086) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 58:sc= 1.24 USER MOD Single : A 48 ASN : amide:sc= 0.769 K(o=0.77,f=-0.038) USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.06) USER MOD Single : A 53 SER OG : rot 88:sc= 1.21 USER MOD Single : A 55 SER OG : rot 62:sc= 1.38 USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= 0.856 (180deg=0.757) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 1.16 (180deg=0.725) USER MOD Single : A 66 TYR OH : rot 105:sc= 0.728 USER MOD Single : A 67 LYS NZ :NH3+ 149:sc= 1.16 (180deg=0.73) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 34 N GLU A 3 2.902 12.607 5.305 1.00 10.00 N ATOM 35 CA GLU A 3 2.552 13.124 4.000 1.00 10.00 C ATOM 36 C GLU A 3 1.349 12.332 3.485 1.00 10.00 C ATOM 37 O GLU A 3 0.687 11.623 4.243 1.00 10.00 O ATOM 38 CB GLU A 3 3.791 13.043 3.091 1.00 10.00 C ATOM 39 CG GLU A 3 4.237 11.607 2.763 1.00 10.00 C ATOM 40 CD GLU A 3 5.609 11.555 2.095 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.298 12.596 2.120 1.00 10.00 O ATOM 42 OE2 GLU A 3 5.960 10.457 1.614 1.00 10.00 O ATOM 0 HA GLU A 3 2.257 14.173 4.029 1.00 10.00 H new ATOM 0 HB2 GLU A 3 3.580 13.568 2.159 1.00 10.00 H new ATOM 0 HB3 GLU A 3 4.616 13.567 3.572 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.262 11.020 3.681 1.00 10.00 H new ATOM 0 HG3 GLU A 3 3.500 11.143 2.107 1.00 10.00 H new ATOM 49 N LYS A 4 1.076 12.465 2.191 1.00 10.00 N ATOM 50 CA LYS A 4 0.142 11.653 1.437 1.00 10.00 C ATOM 51 C LYS A 4 0.871 11.234 0.170 1.00 10.00 C ATOM 52 O LYS A 4 1.450 12.079 -0.511 1.00 10.00 O ATOM 53 CB LYS A 4 -1.108 12.458 1.083 1.00 10.00 C ATOM 54 CG LYS A 4 -1.939 12.746 2.340 1.00 10.00 C ATOM 55 CD LYS A 4 -3.228 13.544 2.101 1.00 10.00 C ATOM 56 CE LYS A 4 -3.021 15.059 2.233 1.00 10.00 C ATOM 57 NZ LYS A 4 -2.381 15.629 1.038 1.00 10.00 N ATOM 0 H LYS A 4 1.525 13.178 1.617 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.184 10.789 2.017 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -0.821 13.396 0.608 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -1.710 11.906 0.361 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -2.199 11.797 2.809 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -1.318 13.293 3.050 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -3.610 13.319 1.105 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -3.987 13.222 2.814 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -3.983 15.544 2.396 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -2.406 15.267 3.109 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -2.544 16.656 1.013 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -1.359 15.441 1.069 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -2.787 15.194 0.185 1.00 10.00 H new ATOM 71 N ALA A 5 0.839 9.940 -0.120 1.00 10.00 N ATOM 72 CA ALA A 5 1.462 9.304 -1.267 1.00 10.00 C ATOM 73 C ALA A 5 0.396 8.462 -1.958 1.00 10.00 C ATOM 74 O ALA A 5 -0.598 8.124 -1.315 1.00 10.00 O ATOM 75 CB ALA A 5 2.625 8.457 -0.772 1.00 10.00 C ATOM 0 H ALA A 5 0.349 9.271 0.474 1.00 10.00 H new ATOM 0 HA ALA A 5 1.855 10.028 -1.981 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.107 7.970 -1.620 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.347 9.094 -0.261 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.255 7.700 -0.081 1.00 10.00 H new ATOM 81 N GLU A 6 0.555 8.140 -3.246 1.00 10.00 N ATOM 82 CA GLU A 6 -0.459 7.441 -3.999 1.00 10.00 C ATOM 83 C GLU A 6 0.281 6.467 -4.890 1.00 10.00 C ATOM 84 O GLU A 6 1.287 6.848 -5.494 1.00 10.00 O ATOM 85 CB GLU A 6 -1.268 8.453 -4.809 1.00 10.00 C ATOM 86 CG GLU A 6 -2.580 7.868 -5.329 1.00 10.00 C ATOM 87 CD GLU A 6 -3.280 8.858 -6.246 1.00 10.00 C ATOM 88 OE1 GLU A 6 -3.951 9.768 -5.711 1.00 10.00 O ATOM 89 OE2 GLU A 6 -3.111 8.707 -7.474 1.00 10.00 O ATOM 0 H GLU A 6 1.393 8.362 -3.783 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.164 6.905 -3.363 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.482 9.323 -4.188 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.670 8.802 -5.651 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.383 6.941 -5.868 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -3.230 7.617 -4.491 1.00 10.00 H new ATOM 96 N PHE A 7 -0.187 5.222 -4.924 1.00 10.00 N ATOM 97 CA PHE A 7 0.462 4.095 -5.561 1.00 10.00 C ATOM 98 C PHE A 7 -0.559 3.315 -6.383 1.00 10.00 C ATOM 99 O PHE A 7 -1.730 3.318 -6.029 1.00 10.00 O ATOM 100 CB PHE A 7 1.045 3.183 -4.483 1.00 10.00 C ATOM 101 CG PHE A 7 1.822 3.858 -3.368 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.759 4.857 -3.673 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.647 3.465 -2.029 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.443 5.529 -2.653 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.393 4.084 -1.013 1.00 10.00 C ATOM 106 CZ PHE A 7 3.283 5.126 -1.318 1.00 10.00 C ATOM 0 H PHE A 7 -1.072 4.967 -4.485 1.00 10.00 H new ATOM 0 HA PHE A 7 1.257 4.452 -6.216 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.227 2.619 -4.035 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.702 2.461 -4.967 1.00 10.00 H new ATOM 0 HD1 PHE A 7 2.954 5.110 -4.705 1.00 10.00 H new ATOM 0 HD2 PHE A 7 0.939 2.687 -1.782 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.093 6.357 -2.893 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.281 3.756 0.010 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.840 5.614 -0.532 1.00 10.00 H new ATOM 116 N ASP A 8 -0.117 2.629 -7.438 1.00 10.00 N ATOM 117 CA ASP A 8 -0.917 1.768 -8.299 1.00 10.00 C ATOM 118 C ASP A 8 -0.747 0.353 -7.757 1.00 10.00 C ATOM 119 O ASP A 8 0.348 0.080 -7.262 1.00 10.00 O ATOM 120 CB ASP A 8 -0.347 1.836 -9.722 1.00 10.00 C ATOM 121 CG ASP A 8 -1.399 1.449 -10.745 1.00 10.00 C ATOM 122 OD1 ASP A 8 -2.140 2.371 -11.153 1.00 10.00 O ATOM 123 OD2 ASP A 8 -1.429 0.259 -11.109 1.00 10.00 O ATOM 0 H ASP A 8 0.861 2.663 -7.727 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.965 2.065 -8.318 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.012 2.845 -9.927 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.511 1.169 -9.807 1.00 10.00 H new ATOM 128 N ILE A 9 -1.757 -0.529 -7.814 1.00 10.00 N ATOM 129 CA ILE A 9 -1.605 -1.907 -7.352 1.00 10.00 C ATOM 130 C ILE A 9 -1.888 -2.894 -8.485 1.00 10.00 C ATOM 131 O ILE A 9 -2.917 -2.796 -9.150 1.00 10.00 O ATOM 132 CB ILE A 9 -2.497 -2.224 -6.143 1.00 10.00 C ATOM 133 CG1 ILE A 9 -2.550 -1.139 -5.061 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.952 -3.475 -5.456 1.00 10.00 C ATOM 135 CD1 ILE A 9 -3.724 -0.210 -5.320 1.00 10.00 C ATOM 0 H ILE A 9 -2.685 -0.308 -8.176 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.569 -2.015 -7.031 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.502 -2.330 -6.552 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -2.648 -1.598 -4.077 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -1.619 -0.571 -5.057 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.573 -3.716 -4.594 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.964 -4.310 -6.157 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.929 -3.293 -5.127 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -3.757 0.559 -4.548 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.607 0.261 -6.296 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -4.652 -0.782 -5.302 1.00 10.00 H new ATOM 147 N GLU A 10 -1.004 -3.880 -8.658 1.00 10.00 N ATOM 148 CA GLU A 10 -1.083 -4.885 -9.703 1.00 10.00 C ATOM 149 C GLU A 10 -1.461 -6.239 -9.094 1.00 10.00 C ATOM 150 O GLU A 10 -0.639 -6.868 -8.427 1.00 10.00 O ATOM 151 CB GLU A 10 0.271 -4.994 -10.422 1.00 10.00 C ATOM 152 CG GLU A 10 0.961 -3.657 -10.752 1.00 10.00 C ATOM 153 CD GLU A 10 2.372 -3.873 -11.299 1.00 10.00 C ATOM 154 OE1 GLU A 10 2.518 -4.747 -12.179 1.00 10.00 O ATOM 155 OE2 GLU A 10 3.295 -3.185 -10.807 1.00 10.00 O ATOM 0 H GLU A 10 -0.192 -3.998 -8.053 1.00 10.00 H new ATOM 0 HA GLU A 10 -1.847 -4.594 -10.424 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.944 -5.586 -9.802 1.00 10.00 H new ATOM 0 HB3 GLU A 10 0.125 -5.546 -11.351 1.00 10.00 H new ATOM 0 HG2 GLU A 10 0.366 -3.111 -11.484 1.00 10.00 H new ATOM 0 HG3 GLU A 10 1.008 -3.040 -9.855 1.00 10.00 H new ATOM 162 N GLY A 11 -2.685 -6.702 -9.352 1.00 10.00 N ATOM 163 CA GLY A 11 -3.133 -8.056 -9.034 1.00 10.00 C ATOM 164 C GLY A 11 -4.588 -8.101 -8.568 1.00 10.00 C ATOM 165 O GLY A 11 -5.451 -8.523 -9.331 1.00 10.00 O ATOM 0 H GLY A 11 -3.406 -6.134 -9.797 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.018 -8.689 -9.914 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.493 -8.473 -8.256 1.00 10.00 H new ATOM 169 N MET A 12 -4.843 -7.681 -7.322 1.00 10.00 N ATOM 170 CA MET A 12 -6.158 -7.580 -6.695 1.00 10.00 C ATOM 171 C MET A 12 -7.174 -8.647 -7.126 1.00 10.00 C ATOM 172 O MET A 12 -8.187 -8.343 -7.753 1.00 10.00 O ATOM 173 CB MET A 12 -6.700 -6.168 -6.902 1.00 10.00 C ATOM 174 CG MET A 12 -5.615 -5.120 -6.623 1.00 10.00 C ATOM 175 SD MET A 12 -6.219 -3.448 -6.333 1.00 10.00 S ATOM 176 CE MET A 12 -7.028 -3.754 -4.758 1.00 10.00 C ATOM 0 H MET A 12 -4.094 -7.388 -6.695 1.00 10.00 H new ATOM 0 HA MET A 12 -6.012 -7.782 -5.634 1.00 10.00 H new ATOM 0 HB2 MET A 12 -7.062 -6.059 -7.924 1.00 10.00 H new ATOM 0 HB3 MET A 12 -7.552 -6.000 -6.243 1.00 10.00 H new ATOM 0 HG2 MET A 12 -5.041 -5.438 -5.753 1.00 10.00 H new ATOM 0 HG3 MET A 12 -4.927 -5.099 -7.468 1.00 10.00 H new ATOM 0 HE1 MET A 12 -7.596 -2.871 -4.463 1.00 10.00 H new ATOM 0 HE2 MET A 12 -7.703 -4.604 -4.855 1.00 10.00 H new ATOM 0 HE3 MET A 12 -6.276 -3.972 -3.999 1.00 10.00 H new ATOM 186 N THR A 13 -6.936 -9.902 -6.752 1.00 10.00 N ATOM 187 CA THR A 13 -7.785 -11.008 -7.162 1.00 10.00 C ATOM 188 C THR A 13 -9.086 -11.072 -6.356 1.00 10.00 C ATOM 189 O THR A 13 -10.054 -11.661 -6.837 1.00 10.00 O ATOM 190 CB THR A 13 -6.987 -12.319 -7.129 1.00 10.00 C ATOM 191 OG1 THR A 13 -6.171 -12.388 -5.980 1.00 10.00 O ATOM 192 CG2 THR A 13 -6.053 -12.387 -8.339 1.00 10.00 C ATOM 0 H THR A 13 -6.152 -10.176 -6.159 1.00 10.00 H new ATOM 0 HA THR A 13 -8.101 -10.841 -8.192 1.00 10.00 H new ATOM 0 HB THR A 13 -7.707 -13.138 -7.131 1.00 10.00 H new ATOM 0 HG1 THR A 13 -6.459 -11.710 -5.333 1.00 10.00 H new ATOM 0 HG21 THR A 13 -5.489 -13.319 -8.311 1.00 10.00 H new ATOM 0 HG22 THR A 13 -6.641 -12.346 -9.256 1.00 10.00 H new ATOM 0 HG23 THR A 13 -5.362 -11.544 -8.313 1.00 10.00 H new ATOM 200 N CYS A 14 -9.144 -10.472 -5.159 1.00 10.00 N ATOM 201 CA CYS A 14 -10.389 -10.331 -4.419 1.00 10.00 C ATOM 202 C CYS A 14 -10.289 -9.154 -3.452 1.00 10.00 C ATOM 203 O CYS A 14 -9.195 -8.669 -3.179 1.00 10.00 O ATOM 204 CB CYS A 14 -10.717 -11.632 -3.676 1.00 10.00 C ATOM 205 SG CYS A 14 -9.610 -12.006 -2.292 1.00 10.00 S ATOM 0 H CYS A 14 -8.332 -10.076 -4.686 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.201 -10.131 -5.118 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -11.739 -11.574 -3.302 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.684 -12.459 -4.385 1.00 10.00 H new ATOM 0 HG CYS A 14 -9.975 -13.121 -1.733 1.00 10.00 H new ATOM 210 N ALA A 15 -11.419 -8.701 -2.902 1.00 10.00 N ATOM 211 CA ALA A 15 -11.447 -7.613 -1.926 1.00 10.00 C ATOM 212 C ALA A 15 -10.475 -7.869 -0.767 1.00 10.00 C ATOM 213 O ALA A 15 -9.859 -6.945 -0.231 1.00 10.00 O ATOM 214 CB ALA A 15 -12.874 -7.434 -1.403 1.00 10.00 C ATOM 0 H ALA A 15 -12.340 -9.080 -3.122 1.00 10.00 H new ATOM 0 HA ALA A 15 -11.124 -6.697 -2.421 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -12.896 -6.623 -0.675 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.538 -7.194 -2.233 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.206 -8.357 -0.928 1.00 10.00 H new ATOM 220 N ALA A 16 -10.328 -9.135 -0.373 1.00 10.00 N ATOM 221 CA ALA A 16 -9.434 -9.498 0.707 1.00 10.00 C ATOM 222 C ALA A 16 -7.972 -9.199 0.363 1.00 10.00 C ATOM 223 O ALA A 16 -7.201 -8.941 1.285 1.00 10.00 O ATOM 224 CB ALA A 16 -9.643 -10.957 1.115 1.00 10.00 C ATOM 0 H ALA A 16 -10.822 -9.922 -0.793 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.680 -8.876 1.568 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -8.962 -11.209 1.928 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -10.672 -11.098 1.447 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.445 -11.605 0.261 1.00 10.00 H new ATOM 230 N CYS A 17 -7.579 -9.205 -0.921 1.00 10.00 N ATOM 231 CA CYS A 17 -6.248 -8.760 -1.328 1.00 10.00 C ATOM 232 C CYS A 17 -6.034 -7.335 -0.853 1.00 10.00 C ATOM 233 O CYS A 17 -5.123 -7.061 -0.072 1.00 10.00 O ATOM 234 CB CYS A 17 -6.096 -8.798 -2.854 1.00 10.00 C ATOM 235 SG CYS A 17 -5.935 -10.467 -3.520 1.00 10.00 S ATOM 0 H CYS A 17 -8.170 -9.515 -1.692 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.511 -9.430 -0.885 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -6.961 -8.316 -3.309 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.220 -8.216 -3.138 1.00 10.00 H new ATOM 0 HG CYS A 17 -4.689 -10.834 -3.475 1.00 10.00 H new ATOM 240 N ALA A 18 -6.900 -6.449 -1.344 1.00 10.00 N ATOM 241 CA ALA A 18 -6.912 -5.045 -0.995 1.00 10.00 C ATOM 242 C ALA A 18 -6.813 -4.887 0.526 1.00 10.00 C ATOM 243 O ALA A 18 -5.887 -4.262 1.040 1.00 10.00 O ATOM 244 CB ALA A 18 -8.160 -4.411 -1.603 1.00 10.00 C ATOM 0 H ALA A 18 -7.628 -6.703 -2.012 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.048 -4.521 -1.404 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.189 -3.351 -1.352 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.136 -4.526 -2.687 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.048 -4.902 -1.206 1.00 10.00 H new ATOM 250 N ASN A 19 -7.718 -5.525 1.267 1.00 10.00 N ATOM 251 CA ASN A 19 -7.700 -5.392 2.719 1.00 10.00 C ATOM 252 C ASN A 19 -6.439 -5.988 3.364 1.00 10.00 C ATOM 253 O ASN A 19 -5.964 -5.476 4.379 1.00 10.00 O ATOM 254 CB ASN A 19 -8.984 -5.951 3.329 1.00 10.00 C ATOM 255 CG ASN A 19 -9.089 -5.591 4.809 1.00 10.00 C ATOM 256 OD1 ASN A 19 -9.117 -6.477 5.659 1.00 10.00 O ATOM 257 ND2 ASN A 19 -9.157 -4.305 5.144 1.00 10.00 N ATOM 0 H ASN A 19 -8.455 -6.125 0.896 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.659 -4.326 2.942 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.847 -5.556 2.793 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -9.004 -7.035 3.212 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -9.234 -4.037 6.125 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -9.132 -3.587 4.420 1.00 10.00 H new ATOM 264 N ARG A 20 -5.849 -7.044 2.786 1.00 10.00 N ATOM 265 CA ARG A 20 -4.575 -7.554 3.253 1.00 10.00 C ATOM 266 C ARG A 20 -3.511 -6.462 3.128 1.00 10.00 C ATOM 267 O ARG A 20 -2.698 -6.306 4.040 1.00 10.00 O ATOM 268 CB ARG A 20 -4.158 -8.806 2.467 1.00 10.00 C ATOM 269 CG ARG A 20 -4.129 -10.091 3.302 1.00 10.00 C ATOM 270 CD ARG A 20 -5.528 -10.696 3.434 1.00 10.00 C ATOM 271 NE ARG A 20 -5.489 -11.928 4.242 1.00 10.00 N ATOM 272 CZ ARG A 20 -6.413 -12.903 4.221 1.00 10.00 C ATOM 273 NH1 ARG A 20 -7.483 -12.789 3.428 1.00 10.00 N ATOM 274 NH2 ARG A 20 -6.263 -13.987 4.991 1.00 10.00 N ATOM 0 H ARG A 20 -6.243 -7.554 1.995 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.676 -7.840 4.300 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -4.846 -8.944 1.633 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.169 -8.641 2.040 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.459 -10.815 2.838 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -3.728 -9.875 4.292 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -6.200 -9.973 3.896 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -5.929 -10.917 2.445 1.00 10.00 H new ATOM 0 HE ARG A 20 -4.694 -12.051 4.869 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -7.597 -11.963 2.840 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -8.186 -13.528 3.410 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -5.446 -14.074 5.595 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -6.966 -14.726 4.974 1.00 10.00 H new ATOM 288 N ILE A 21 -3.507 -5.706 2.022 1.00 10.00 N ATOM 289 CA ILE A 21 -2.551 -4.607 1.884 1.00 10.00 C ATOM 290 C ILE A 21 -2.751 -3.625 3.034 1.00 10.00 C ATOM 291 O ILE A 21 -1.789 -3.266 3.704 1.00 10.00 O ATOM 292 CB ILE A 21 -2.610 -3.851 0.540 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.127 -4.699 -0.620 1.00 10.00 C ATOM 294 CG2 ILE A 21 -1.201 -3.336 0.232 1.00 10.00 C ATOM 295 CD1 ILE A 21 -2.881 -4.118 -2.011 1.00 10.00 C ATOM 0 H ILE A 21 -4.138 -5.832 1.231 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.563 -5.066 1.911 1.00 10.00 H new ATOM 0 HB ILE A 21 -3.324 -3.034 0.643 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -2.660 -5.682 -0.567 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -4.199 -4.848 -0.490 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -1.210 -2.796 -0.715 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.876 -2.667 1.029 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -0.513 -4.178 0.162 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -3.285 -4.794 -2.764 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -3.373 -3.149 -2.093 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.810 -3.996 -2.170 1.00 10.00 H new ATOM 307 N GLU A 22 -4.001 -3.222 3.279 1.00 10.00 N ATOM 308 CA GLU A 22 -4.343 -2.268 4.332 1.00 10.00 C ATOM 309 C GLU A 22 -3.766 -2.745 5.660 1.00 10.00 C ATOM 310 O GLU A 22 -3.081 -1.999 6.361 1.00 10.00 O ATOM 311 CB GLU A 22 -5.865 -2.075 4.428 1.00 10.00 C ATOM 312 CG GLU A 22 -6.399 -1.585 3.083 1.00 10.00 C ATOM 313 CD GLU A 22 -7.893 -1.326 3.031 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.634 -2.107 3.672 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.253 -0.374 2.304 1.00 10.00 O ATOM 0 H GLU A 22 -4.807 -3.552 2.748 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.908 -1.299 4.086 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.345 -3.014 4.702 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -6.103 -1.355 5.211 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.878 -0.665 2.818 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.149 -2.323 2.321 1.00 10.00 H new ATOM 322 N LYS A 23 -4.018 -4.014 5.980 1.00 10.00 N ATOM 323 CA LYS A 23 -3.484 -4.666 7.159 1.00 10.00 C ATOM 324 C LYS A 23 -1.954 -4.570 7.199 1.00 10.00 C ATOM 325 O LYS A 23 -1.384 -4.160 8.211 1.00 10.00 O ATOM 326 CB LYS A 23 -3.940 -6.132 7.164 1.00 10.00 C ATOM 327 CG LYS A 23 -5.150 -6.403 8.071 1.00 10.00 C ATOM 328 CD LYS A 23 -5.094 -7.821 8.667 1.00 10.00 C ATOM 329 CE LYS A 23 -4.047 -7.992 9.786 1.00 10.00 C ATOM 330 NZ LYS A 23 -4.356 -7.184 10.986 1.00 10.00 N ATOM 0 H LYS A 23 -4.610 -4.621 5.413 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.861 -4.164 8.050 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.188 -6.429 6.145 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.109 -6.760 7.486 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.176 -5.668 8.876 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -6.070 -6.282 7.499 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -6.077 -8.077 9.062 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.876 -8.531 7.869 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.989 -9.044 10.066 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.065 -7.709 9.406 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.712 -7.449 11.758 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -4.235 -6.175 10.766 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -5.338 -7.359 11.279 1.00 10.00 H new ATOM 344 N ARG A 24 -1.285 -4.989 6.122 1.00 10.00 N ATOM 345 CA ARG A 24 0.171 -4.976 6.060 1.00 10.00 C ATOM 346 C ARG A 24 0.686 -3.570 6.328 1.00 10.00 C ATOM 347 O ARG A 24 1.534 -3.378 7.194 1.00 10.00 O ATOM 348 CB ARG A 24 0.674 -5.487 4.697 1.00 10.00 C ATOM 349 CG ARG A 24 1.836 -6.479 4.827 1.00 10.00 C ATOM 350 CD ARG A 24 1.390 -7.807 5.462 1.00 10.00 C ATOM 351 NE ARG A 24 2.390 -8.870 5.265 1.00 10.00 N ATOM 352 CZ ARG A 24 3.501 -9.034 6.002 1.00 10.00 C ATOM 353 NH1 ARG A 24 3.831 -8.117 6.918 1.00 10.00 N ATOM 354 NH2 ARG A 24 4.267 -10.117 5.827 1.00 10.00 N ATOM 0 H ARG A 24 -1.736 -5.343 5.278 1.00 10.00 H new ATOM 0 HA ARG A 24 0.555 -5.648 6.827 1.00 10.00 H new ATOM 0 HB2 ARG A 24 -0.149 -5.966 4.167 1.00 10.00 H new ATOM 0 HB3 ARG A 24 0.992 -4.639 4.091 1.00 10.00 H new ATOM 0 HG2 ARG A 24 2.260 -6.672 3.842 1.00 10.00 H new ATOM 0 HG3 ARG A 24 2.626 -6.035 5.432 1.00 10.00 H new ATOM 0 HD2 ARG A 24 1.220 -7.661 6.529 1.00 10.00 H new ATOM 0 HD3 ARG A 24 0.440 -8.117 5.027 1.00 10.00 H new ATOM 0 HE ARG A 24 2.226 -9.535 4.509 1.00 10.00 H new ATOM 0 HH11 ARG A 24 3.240 -7.297 7.055 1.00 10.00 H new ATOM 0 HH12 ARG A 24 4.674 -8.238 7.480 1.00 10.00 H new ATOM 0 HH21 ARG A 24 4.007 -10.819 5.134 1.00 10.00 H new ATOM 0 HH22 ARG A 24 5.111 -10.241 6.387 1.00 10.00 H new ATOM 368 N LEU A 25 0.152 -2.600 5.590 1.00 10.00 N ATOM 369 CA LEU A 25 0.569 -1.212 5.649 1.00 10.00 C ATOM 370 C LEU A 25 0.369 -0.676 7.064 1.00 10.00 C ATOM 371 O LEU A 25 1.302 -0.121 7.634 1.00 10.00 O ATOM 372 CB LEU A 25 -0.169 -0.400 4.574 1.00 10.00 C ATOM 373 CG LEU A 25 0.248 -0.815 3.149 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.677 -0.185 2.105 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.680 -0.385 2.828 1.00 10.00 C ATOM 0 H LEU A 25 -0.599 -2.767 4.921 1.00 10.00 H new ATOM 0 HA LEU A 25 1.633 -1.121 5.428 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.244 -0.536 4.691 1.00 10.00 H new ATOM 0 HB3 LEU A 25 0.035 0.661 4.717 1.00 10.00 H new ATOM 0 HG LEU A 25 0.178 -1.902 3.113 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.363 -0.492 1.108 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.701 -0.514 2.280 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.627 0.901 2.183 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.935 -0.696 1.815 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.760 0.699 2.905 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.367 -0.851 3.534 1.00 10.00 H new ATOM 387 N ASN A 26 -0.799 -0.920 7.665 1.00 10.00 N ATOM 388 CA ASN A 26 -1.049 -0.593 9.066 1.00 10.00 C ATOM 389 C ASN A 26 0.046 -1.156 9.973 1.00 10.00 C ATOM 390 O ASN A 26 0.450 -0.502 10.930 1.00 10.00 O ATOM 391 CB ASN A 26 -2.418 -1.132 9.508 1.00 10.00 C ATOM 392 CG ASN A 26 -3.542 -0.126 9.286 1.00 10.00 C ATOM 393 OD1 ASN A 26 -4.013 0.502 10.227 1.00 10.00 O ATOM 394 ND2 ASN A 26 -4.002 0.022 8.049 1.00 10.00 N ATOM 0 H ASN A 26 -1.595 -1.349 7.192 1.00 10.00 H new ATOM 0 HA ASN A 26 -1.045 0.493 9.157 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.640 -2.046 8.958 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.376 -1.398 10.564 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.766 0.671 7.863 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.591 -0.514 7.285 1.00 10.00 H new ATOM 401 N LYS A 27 0.522 -2.376 9.698 1.00 10.00 N ATOM 402 CA LYS A 27 1.573 -2.982 10.504 1.00 10.00 C ATOM 403 C LYS A 27 2.945 -2.317 10.292 1.00 10.00 C ATOM 404 O LYS A 27 3.822 -2.505 11.133 1.00 10.00 O ATOM 405 CB LYS A 27 1.610 -4.510 10.298 1.00 10.00 C ATOM 406 CG LYS A 27 2.325 -5.203 11.471 1.00 10.00 C ATOM 407 CD LYS A 27 2.237 -6.734 11.400 1.00 10.00 C ATOM 408 CE LYS A 27 2.879 -7.328 12.666 1.00 10.00 C ATOM 409 NZ LYS A 27 2.841 -8.806 12.693 1.00 10.00 N ATOM 0 H LYS A 27 0.194 -2.956 8.926 1.00 10.00 H new ATOM 0 HA LYS A 27 1.327 -2.801 11.550 1.00 10.00 H new ATOM 0 HB2 LYS A 27 0.594 -4.894 10.208 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.123 -4.743 9.365 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.373 -4.904 11.480 1.00 10.00 H new ATOM 0 HG3 LYS A 27 1.888 -4.862 12.410 1.00 10.00 H new ATOM 0 HD2 LYS A 27 1.196 -7.049 11.322 1.00 10.00 H new ATOM 0 HD3 LYS A 27 2.749 -7.100 10.510 1.00 10.00 H new ATOM 0 HE2 LYS A 27 3.915 -6.995 12.732 1.00 10.00 H new ATOM 0 HE3 LYS A 27 2.363 -6.940 13.545 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 3.287 -9.149 13.568 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 1.853 -9.129 12.659 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 3.356 -9.182 11.871 1.00 10.00 H new ATOM 423 N ILE A 28 3.174 -1.579 9.198 1.00 10.00 N ATOM 424 CA ILE A 28 4.460 -0.917 8.998 1.00 10.00 C ATOM 425 C ILE A 28 4.542 0.334 9.877 1.00 10.00 C ATOM 426 O ILE A 28 3.697 1.232 9.843 1.00 10.00 O ATOM 427 CB ILE A 28 4.742 -0.569 7.531 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.520 -1.695 6.520 1.00 10.00 C ATOM 429 CG2 ILE A 28 6.115 0.096 7.353 1.00 10.00 C ATOM 430 CD1 ILE A 28 5.565 -2.773 6.704 1.00 10.00 C ATOM 0 H ILE A 28 2.495 -1.429 8.452 1.00 10.00 H new ATOM 0 HA ILE A 28 5.233 -1.627 9.293 1.00 10.00 H new ATOM 0 HB ILE A 28 3.968 0.158 7.285 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.524 -2.118 6.648 1.00 10.00 H new ATOM 0 HG13 ILE A 28 4.570 -1.299 5.506 1.00 10.00 H new ATOM 0 HG21 ILE A 28 6.274 0.326 6.299 1.00 10.00 H new ATOM 0 HG22 ILE A 28 6.151 1.017 7.935 1.00 10.00 H new ATOM 0 HG23 ILE A 28 6.895 -0.582 7.698 1.00 10.00 H new ATOM 0 HD11 ILE A 28 5.397 -3.570 5.979 1.00 10.00 H new ATOM 0 HD12 ILE A 28 6.557 -2.348 6.553 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.495 -3.180 7.713 1.00 10.00 H new ATOM 442 N GLU A 29 5.622 0.383 10.644 1.00 10.00 N ATOM 443 CA GLU A 29 5.895 1.378 11.660 1.00 10.00 C ATOM 444 C GLU A 29 6.226 2.705 10.978 1.00 10.00 C ATOM 445 O GLU A 29 7.319 2.878 10.444 1.00 10.00 O ATOM 446 CB GLU A 29 7.032 0.863 12.553 1.00 10.00 C ATOM 447 CG GLU A 29 6.628 -0.455 13.234 1.00 10.00 C ATOM 448 CD GLU A 29 7.769 -1.038 14.056 1.00 10.00 C ATOM 449 OE1 GLU A 29 7.917 -0.595 15.214 1.00 10.00 O ATOM 450 OE2 GLU A 29 8.461 -1.923 13.511 1.00 10.00 O ATOM 0 H GLU A 29 6.368 -0.309 10.567 1.00 10.00 H new ATOM 0 HA GLU A 29 5.028 1.552 12.298 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.931 0.710 11.955 1.00 10.00 H new ATOM 0 HB3 GLU A 29 7.275 1.610 13.309 1.00 10.00 H new ATOM 0 HG2 GLU A 29 5.766 -0.282 13.879 1.00 10.00 H new ATOM 0 HG3 GLU A 29 6.320 -1.176 12.477 1.00 10.00 H new ATOM 457 N GLY A 30 5.255 3.622 10.964 1.00 10.00 N ATOM 458 CA GLY A 30 5.374 4.931 10.337 1.00 10.00 C ATOM 459 C GLY A 30 4.229 5.216 9.366 1.00 10.00 C ATOM 460 O GLY A 30 4.112 6.345 8.881 1.00 10.00 O ATOM 0 H GLY A 30 4.346 3.467 11.399 1.00 10.00 H new ATOM 0 HA2 GLY A 30 5.393 5.701 11.109 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.323 4.991 9.804 1.00 10.00 H new ATOM 464 N VAL A 31 3.382 4.218 9.079 1.00 10.00 N ATOM 465 CA VAL A 31 2.168 4.419 8.302 1.00 10.00 C ATOM 466 C VAL A 31 1.048 4.870 9.240 1.00 10.00 C ATOM 467 O VAL A 31 0.855 4.288 10.305 1.00 10.00 O ATOM 468 CB VAL A 31 1.797 3.138 7.540 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.525 3.348 6.705 1.00 10.00 C ATOM 470 CG2 VAL A 31 2.935 2.715 6.600 1.00 10.00 C ATOM 0 H VAL A 31 3.525 3.254 9.381 1.00 10.00 H new ATOM 0 HA VAL A 31 2.329 5.196 7.555 1.00 10.00 H new ATOM 0 HB VAL A 31 1.623 2.357 8.281 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.282 2.427 6.174 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -0.302 3.617 7.363 1.00 10.00 H new ATOM 0 HG13 VAL A 31 0.691 4.149 5.985 1.00 10.00 H new ATOM 0 HG21 VAL A 31 2.651 1.806 6.071 1.00 10.00 H new ATOM 0 HG22 VAL A 31 3.126 3.510 5.879 1.00 10.00 H new ATOM 0 HG23 VAL A 31 3.838 2.529 7.182 1.00 10.00 H new ATOM 480 N ALA A 32 0.317 5.911 8.837 1.00 10.00 N ATOM 481 CA ALA A 32 -0.883 6.382 9.508 1.00 10.00 C ATOM 482 C ALA A 32 -2.106 5.689 8.910 1.00 10.00 C ATOM 483 O ALA A 32 -2.836 5.018 9.634 1.00 10.00 O ATOM 484 CB ALA A 32 -0.987 7.907 9.390 1.00 10.00 C ATOM 0 H ALA A 32 0.555 6.461 8.011 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.834 6.135 10.568 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.889 8.250 9.896 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -0.114 8.368 9.852 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -1.032 8.188 8.338 1.00 10.00 H new ATOM 490 N ASN A 33 -2.333 5.842 7.597 1.00 10.00 N ATOM 491 CA ASN A 33 -3.496 5.277 6.912 1.00 10.00 C ATOM 492 C ASN A 33 -3.064 4.762 5.542 1.00 10.00 C ATOM 493 O ASN A 33 -1.975 5.089 5.072 1.00 10.00 O ATOM 494 CB ASN A 33 -4.611 6.309 6.689 1.00 10.00 C ATOM 495 CG ASN A 33 -4.999 7.162 7.892 1.00 10.00 C ATOM 496 OD1 ASN A 33 -5.217 6.659 8.988 1.00 10.00 O ATOM 497 ND2 ASN A 33 -5.126 8.469 7.688 1.00 10.00 N ATOM 0 H ASN A 33 -1.710 6.364 6.981 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.885 4.481 7.547 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -4.303 6.975 5.883 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.500 5.781 6.344 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -5.411 9.079 8.454 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.938 8.862 6.766 1.00 10.00 H new ATOM 504 N ALA A 34 -3.935 3.976 4.902 1.00 10.00 N ATOM 505 CA ALA A 34 -3.669 3.324 3.627 1.00 10.00 C ATOM 506 C ALA A 34 -4.919 2.722 2.958 1.00 10.00 C ATOM 507 O ALA A 34 -4.900 1.536 2.640 1.00 10.00 O ATOM 508 CB ALA A 34 -2.609 2.241 3.852 1.00 10.00 C ATOM 0 H ALA A 34 -4.865 3.774 5.269 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.314 4.088 2.936 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.395 1.740 2.908 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.697 2.699 4.235 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.980 1.513 4.573 1.00 10.00 H new ATOM 514 N PRO A 35 -6.004 3.480 2.729 1.00 10.00 N ATOM 515 CA PRO A 35 -7.227 2.941 2.137 1.00 10.00 C ATOM 516 C PRO A 35 -7.026 2.543 0.665 1.00 10.00 C ATOM 517 O PRO A 35 -6.738 3.403 -0.170 1.00 10.00 O ATOM 518 CB PRO A 35 -8.262 4.063 2.282 1.00 10.00 C ATOM 519 CG PRO A 35 -7.411 5.336 2.292 1.00 10.00 C ATOM 520 CD PRO A 35 -6.153 4.894 3.037 1.00 10.00 C ATOM 0 HA PRO A 35 -7.545 2.025 2.635 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -8.973 4.062 1.456 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.840 3.960 3.200 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.184 5.679 1.283 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -7.916 6.157 2.802 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.282 5.462 2.710 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.254 5.055 4.110 1.00 10.00 H new ATOM 528 N VAL A 36 -7.191 1.258 0.321 1.00 10.00 N ATOM 529 CA VAL A 36 -7.034 0.793 -1.055 1.00 10.00 C ATOM 530 C VAL A 36 -8.310 1.064 -1.871 1.00 10.00 C ATOM 531 O VAL A 36 -9.412 0.733 -1.436 1.00 10.00 O ATOM 532 CB VAL A 36 -6.660 -0.697 -1.049 1.00 10.00 C ATOM 533 CG1 VAL A 36 -6.531 -1.216 -2.481 1.00 10.00 C ATOM 534 CG2 VAL A 36 -5.328 -0.955 -0.335 1.00 10.00 C ATOM 0 H VAL A 36 -7.434 0.522 0.984 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.228 1.346 -1.538 1.00 10.00 H new ATOM 0 HB VAL A 36 -7.457 -1.216 -0.516 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -6.266 -2.273 -2.462 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -7.481 -1.089 -3.001 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -5.755 -0.656 -3.002 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.105 -2.022 -0.356 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.532 -0.408 -0.840 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.399 -0.619 0.700 1.00 10.00 H new ATOM 544 N ASN A 37 -8.173 1.641 -3.074 1.00 10.00 N ATOM 545 CA ASN A 37 -9.291 2.066 -3.911 1.00 10.00 C ATOM 546 C ASN A 37 -9.505 1.094 -5.082 1.00 10.00 C ATOM 547 O ASN A 37 -9.045 1.329 -6.207 1.00 10.00 O ATOM 548 CB ASN A 37 -9.052 3.512 -4.361 1.00 10.00 C ATOM 549 CG ASN A 37 -10.247 4.085 -5.099 1.00 10.00 C ATOM 550 OD1 ASN A 37 -11.051 4.837 -4.560 1.00 10.00 O ATOM 551 ND2 ASN A 37 -10.337 3.723 -6.364 1.00 10.00 N ATOM 0 H ASN A 37 -7.263 1.826 -3.495 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.219 2.043 -3.339 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -8.833 4.131 -3.491 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.175 3.550 -5.007 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -11.102 4.072 -6.941 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.641 3.094 -6.765 1.00 10.00 H new ATOM 558 N PHE A 38 -10.240 0.015 -4.793 1.00 10.00 N ATOM 559 CA PHE A 38 -10.624 -1.054 -5.707 1.00 10.00 C ATOM 560 C PHE A 38 -11.680 -0.518 -6.682 1.00 10.00 C ATOM 561 O PHE A 38 -12.880 -0.618 -6.431 1.00 10.00 O ATOM 562 CB PHE A 38 -11.132 -2.257 -4.886 1.00 10.00 C ATOM 563 CG PHE A 38 -10.963 -3.633 -5.516 1.00 10.00 C ATOM 564 CD1 PHE A 38 -11.203 -3.850 -6.888 1.00 10.00 C ATOM 565 CD2 PHE A 38 -10.553 -4.711 -4.708 1.00 10.00 C ATOM 566 CE1 PHE A 38 -10.993 -5.123 -7.449 1.00 10.00 C ATOM 567 CE2 PHE A 38 -10.298 -5.969 -5.280 1.00 10.00 C ATOM 568 CZ PHE A 38 -10.529 -6.181 -6.648 1.00 10.00 C ATOM 0 H PHE A 38 -10.603 -0.140 -3.853 1.00 10.00 H new ATOM 0 HA PHE A 38 -9.774 -1.395 -6.297 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -10.616 -2.256 -3.926 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.191 -2.105 -4.679 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -11.549 -3.037 -7.510 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -10.434 -4.570 -3.644 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -11.189 -5.288 -8.498 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.923 -6.774 -4.666 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.351 -7.153 -7.084 1.00 10.00 H new ATOM 578 N ALA A 39 -11.206 0.077 -7.772 1.00 10.00 N ATOM 579 CA ALA A 39 -11.927 0.683 -8.881 1.00 10.00 C ATOM 580 C ALA A 39 -10.930 1.328 -9.856 1.00 10.00 C ATOM 581 O ALA A 39 -11.117 1.282 -11.069 1.00 10.00 O ATOM 582 CB ALA A 39 -12.850 1.758 -8.330 1.00 10.00 C ATOM 0 H ALA A 39 -10.199 0.153 -7.913 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.503 -0.079 -9.406 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.398 2.222 -9.150 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.555 1.309 -7.631 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.260 2.515 -7.814 1.00 10.00 H new ATOM 588 N LEU A 40 -9.915 2.002 -9.300 1.00 10.00 N ATOM 589 CA LEU A 40 -8.832 2.679 -10.013 1.00 10.00 C ATOM 590 C LEU A 40 -7.510 1.957 -9.765 1.00 10.00 C ATOM 591 O LEU A 40 -6.470 2.382 -10.270 1.00 10.00 O ATOM 592 CB LEU A 40 -8.671 4.114 -9.494 1.00 10.00 C ATOM 593 CG LEU A 40 -9.920 4.948 -9.453 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.726 6.206 -8.599 1.00 10.00 C ATOM 595 CD2 LEU A 40 -10.364 5.312 -10.863 1.00 10.00 C ATOM 0 H LEU A 40 -9.826 2.093 -8.288 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.080 2.680 -11.074 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -8.255 4.070 -8.487 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.938 4.624 -10.119 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.705 4.353 -8.986 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.649 6.786 -8.591 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.470 5.918 -7.580 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.921 6.810 -9.018 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -11.270 5.916 -10.815 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.576 5.879 -11.358 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -10.565 4.402 -11.428 1.00 10.00 H new ATOM 607 N GLU A 41 -7.545 0.934 -8.910 1.00 10.00 N ATOM 608 CA GLU A 41 -6.442 0.040 -8.604 1.00 10.00 C ATOM 609 C GLU A 41 -5.271 0.891 -8.162 1.00 10.00 C ATOM 610 O GLU A 41 -4.134 0.740 -8.600 1.00 10.00 O ATOM 611 CB GLU A 41 -6.173 -0.901 -9.785 1.00 10.00 C ATOM 612 CG GLU A 41 -7.204 -2.042 -9.821 1.00 10.00 C ATOM 613 CD GLU A 41 -8.661 -1.581 -9.793 1.00 10.00 C ATOM 614 OE1 GLU A 41 -9.120 -1.183 -8.697 1.00 10.00 O ATOM 615 OE2 GLU A 41 -9.290 -1.608 -10.870 1.00 10.00 O ATOM 0 H GLU A 41 -8.390 0.700 -8.389 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.669 -0.636 -7.779 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -6.212 -0.340 -10.719 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.168 -1.315 -9.704 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -7.041 -2.634 -10.722 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -7.028 -2.701 -8.970 1.00 10.00 H new ATOM 622 N THR A 42 -5.617 1.820 -7.274 1.00 10.00 N ATOM 623 CA THR A 42 -4.744 2.813 -6.707 1.00 10.00 C ATOM 624 C THR A 42 -4.986 2.776 -5.193 1.00 10.00 C ATOM 625 O THR A 42 -6.101 2.496 -4.756 1.00 10.00 O ATOM 626 CB THR A 42 -5.055 4.162 -7.377 1.00 10.00 C ATOM 627 OG1 THR A 42 -4.794 4.098 -8.777 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.218 5.291 -6.785 1.00 10.00 C ATOM 0 H THR A 42 -6.570 1.894 -6.919 1.00 10.00 H new ATOM 0 HA THR A 42 -3.683 2.634 -6.880 1.00 10.00 H new ATOM 0 HB THR A 42 -6.110 4.367 -7.198 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.414 3.466 -9.197 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.466 6.228 -7.284 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.429 5.380 -5.719 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.160 5.073 -6.928 1.00 10.00 H new ATOM 636 N VAL A 43 -3.950 2.992 -4.385 1.00 10.00 N ATOM 637 CA VAL A 43 -4.046 3.159 -2.941 1.00 10.00 C ATOM 638 C VAL A 43 -3.393 4.489 -2.595 1.00 10.00 C ATOM 639 O VAL A 43 -2.262 4.741 -3.011 1.00 10.00 O ATOM 640 CB VAL A 43 -3.408 1.967 -2.194 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.968 1.665 -2.622 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.423 2.164 -0.673 1.00 10.00 C ATOM 0 H VAL A 43 -2.992 3.057 -4.730 1.00 10.00 H new ATOM 0 HA VAL A 43 -5.087 3.173 -2.620 1.00 10.00 H new ATOM 0 HB VAL A 43 -4.033 1.118 -2.470 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.590 0.816 -2.053 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.947 1.427 -3.686 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.342 2.537 -2.432 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.964 1.301 -0.190 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.863 3.063 -0.417 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.452 2.268 -0.330 1.00 10.00 H new ATOM 652 N THR A 44 -4.102 5.326 -1.837 1.00 10.00 N ATOM 653 CA THR A 44 -3.513 6.470 -1.167 1.00 10.00 C ATOM 654 C THR A 44 -2.948 5.947 0.150 1.00 10.00 C ATOM 655 O THR A 44 -3.637 5.193 0.833 1.00 10.00 O ATOM 656 CB THR A 44 -4.586 7.543 -0.934 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.311 7.758 -2.130 1.00 10.00 O ATOM 658 CG2 THR A 44 -3.965 8.868 -0.480 1.00 10.00 C ATOM 0 H THR A 44 -5.104 5.223 -1.674 1.00 10.00 H new ATOM 0 HA THR A 44 -2.725 6.934 -1.760 1.00 10.00 H new ATOM 0 HB THR A 44 -5.251 7.186 -0.147 1.00 10.00 H new ATOM 0 HG1 THR A 44 -5.996 8.442 -1.979 1.00 10.00 H new ATOM 0 HG21 THR A 44 -4.753 9.605 -0.324 1.00 10.00 H new ATOM 0 HG22 THR A 44 -3.422 8.715 0.453 1.00 10.00 H new ATOM 0 HG23 THR A 44 -3.277 9.228 -1.245 1.00 10.00 H new ATOM 666 N VAL A 45 -1.704 6.293 0.489 1.00 10.00 N ATOM 667 CA VAL A 45 -1.093 5.950 1.760 1.00 10.00 C ATOM 668 C VAL A 45 -0.646 7.237 2.434 1.00 10.00 C ATOM 669 O VAL A 45 0.042 8.052 1.817 1.00 10.00 O ATOM 670 CB VAL A 45 0.077 4.976 1.556 1.00 10.00 C ATOM 671 CG1 VAL A 45 0.720 4.581 2.892 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.420 3.705 0.858 1.00 10.00 C ATOM 0 H VAL A 45 -1.090 6.827 -0.126 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.813 5.441 2.401 1.00 10.00 H new ATOM 0 HB VAL A 45 0.823 5.482 0.943 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.544 3.891 2.709 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.097 5.473 3.392 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -0.024 4.098 3.525 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.414 3.018 0.716 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.183 3.227 1.472 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.845 3.965 -0.111 1.00 10.00 H new ATOM 682 N GLU A 46 -1.017 7.393 3.703 1.00 10.00 N ATOM 683 CA GLU A 46 -0.530 8.452 4.553 1.00 10.00 C ATOM 684 C GLU A 46 0.482 7.832 5.508 1.00 10.00 C ATOM 685 O GLU A 46 0.108 6.997 6.329 1.00 10.00 O ATOM 686 CB GLU A 46 -1.714 9.071 5.296 1.00 10.00 C ATOM 687 CG GLU A 46 -2.721 9.682 4.312 1.00 10.00 C ATOM 688 CD GLU A 46 -4.024 8.907 4.271 1.00 10.00 C ATOM 689 OE1 GLU A 46 -4.887 9.232 5.115 1.00 10.00 O ATOM 690 OE2 GLU A 46 -4.114 7.970 3.449 1.00 10.00 O ATOM 0 H GLU A 46 -1.677 6.770 4.168 1.00 10.00 H new ATOM 0 HA GLU A 46 -0.046 9.248 3.987 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.207 8.310 5.901 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.357 9.840 5.981 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -2.923 10.715 4.596 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -2.283 9.706 3.314 1.00 10.00 H new ATOM 697 N TYR A 47 1.755 8.222 5.395 1.00 10.00 N ATOM 698 CA TYR A 47 2.838 7.763 6.253 1.00 10.00 C ATOM 699 C TYR A 47 3.823 8.905 6.446 1.00 10.00 C ATOM 700 O TYR A 47 3.652 9.965 5.848 1.00 10.00 O ATOM 701 CB TYR A 47 3.540 6.542 5.643 1.00 10.00 C ATOM 702 CG TYR A 47 4.427 6.821 4.446 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.871 7.056 3.175 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.821 6.897 4.621 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.706 7.394 2.099 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.642 7.301 3.558 1.00 10.00 C ATOM 707 CZ TYR A 47 6.084 7.565 2.301 1.00 10.00 C ATOM 708 OH TYR A 47 6.870 8.052 1.305 1.00 10.00 O ATOM 0 H TYR A 47 2.063 8.884 4.683 1.00 10.00 H new ATOM 0 HA TYR A 47 2.432 7.459 7.218 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.145 6.070 6.417 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.779 5.819 5.347 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.804 6.976 3.028 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.259 6.644 5.575 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.287 7.523 1.112 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.706 7.409 3.709 1.00 10.00 H new ATOM 0 HH TYR A 47 6.540 8.933 1.029 1.00 10.00 H new ATOM 718 N ASN A 48 4.846 8.691 7.273 1.00 10.00 N ATOM 719 CA ASN A 48 5.934 9.631 7.467 1.00 10.00 C ATOM 720 C ASN A 48 7.252 9.097 6.887 1.00 10.00 C ATOM 721 O ASN A 48 7.704 8.036 7.322 1.00 10.00 O ATOM 722 CB ASN A 48 6.061 10.023 8.943 1.00 10.00 C ATOM 723 CG ASN A 48 5.951 8.930 10.002 1.00 10.00 C ATOM 724 OD1 ASN A 48 5.207 9.086 10.964 1.00 10.00 O ATOM 725 ND2 ASN A 48 6.710 7.852 9.875 1.00 10.00 N ATOM 0 H ASN A 48 4.937 7.844 7.833 1.00 10.00 H new ATOM 0 HA ASN A 48 5.699 10.539 6.912 1.00 10.00 H new ATOM 0 HB2 ASN A 48 7.026 10.514 9.073 1.00 10.00 H new ATOM 0 HB3 ASN A 48 5.293 10.767 9.155 1.00 10.00 H new ATOM 0 HD21 ASN A 48 6.685 7.124 10.589 1.00 10.00 H new ATOM 0 HD22 ASN A 48 7.319 7.750 9.063 1.00 10.00 H new ATOM 732 N PRO A 49 7.891 9.814 5.940 1.00 10.00 N ATOM 733 CA PRO A 49 9.176 9.431 5.371 1.00 10.00 C ATOM 734 C PRO A 49 10.264 9.616 6.427 1.00 10.00 C ATOM 735 O PRO A 49 10.958 10.631 6.469 1.00 10.00 O ATOM 736 CB PRO A 49 9.366 10.322 4.141 1.00 10.00 C ATOM 737 CG PRO A 49 8.618 11.595 4.524 1.00 10.00 C ATOM 738 CD PRO A 49 7.445 11.070 5.351 1.00 10.00 C ATOM 0 HA PRO A 49 9.226 8.385 5.070 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.420 10.517 3.942 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.951 9.864 3.243 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.246 12.274 5.101 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.279 12.143 3.645 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.164 11.784 6.125 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.566 10.916 4.725 1.00 10.00 H new ATOM 746 N LYS A 50 10.371 8.634 7.318 1.00 10.00 N ATOM 747 CA LYS A 50 11.259 8.678 8.464 1.00 10.00 C ATOM 748 C LYS A 50 11.549 7.250 8.920 1.00 10.00 C ATOM 749 O LYS A 50 12.702 6.829 8.950 1.00 10.00 O ATOM 750 CB LYS A 50 10.594 9.523 9.566 1.00 10.00 C ATOM 751 CG LYS A 50 11.562 9.930 10.681 1.00 10.00 C ATOM 752 CD LYS A 50 12.672 10.841 10.128 1.00 10.00 C ATOM 753 CE LYS A 50 13.105 11.922 11.126 1.00 10.00 C ATOM 754 NZ LYS A 50 12.064 12.957 11.303 1.00 10.00 N ATOM 0 H LYS A 50 9.830 7.771 7.258 1.00 10.00 H new ATOM 0 HA LYS A 50 12.212 9.143 8.214 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.167 10.421 9.119 1.00 10.00 H new ATOM 0 HB3 LYS A 50 9.768 8.959 9.999 1.00 10.00 H new ATOM 0 HG2 LYS A 50 11.018 10.448 11.471 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.004 9.040 11.129 1.00 10.00 H new ATOM 0 HD2 LYS A 50 13.536 10.232 9.861 1.00 10.00 H new ATOM 0 HD3 LYS A 50 12.322 11.317 9.212 1.00 10.00 H new ATOM 0 HE2 LYS A 50 13.325 11.460 12.088 1.00 10.00 H new ATOM 0 HE3 LYS A 50 14.026 12.389 10.778 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 12.464 13.767 11.818 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 11.726 13.272 10.371 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 11.269 12.561 11.844 1.00 10.00 H new ATOM 768 N GLU A 51 10.483 6.531 9.275 1.00 10.00 N ATOM 769 CA GLU A 51 10.527 5.173 9.797 1.00 10.00 C ATOM 770 C GLU A 51 10.021 4.181 8.743 1.00 10.00 C ATOM 771 O GLU A 51 10.483 3.045 8.690 1.00 10.00 O ATOM 772 CB GLU A 51 9.674 5.122 11.070 1.00 10.00 C ATOM 773 CG GLU A 51 10.146 6.157 12.104 1.00 10.00 C ATOM 774 CD GLU A 51 9.182 6.248 13.275 1.00 10.00 C ATOM 775 OE1 GLU A 51 7.990 6.500 12.992 1.00 10.00 O ATOM 776 OE2 GLU A 51 9.662 6.101 14.419 1.00 10.00 O ATOM 0 H GLU A 51 9.533 6.896 9.203 1.00 10.00 H new ATOM 0 HA GLU A 51 11.552 4.890 10.038 1.00 10.00 H new ATOM 0 HB2 GLU A 51 8.630 5.308 10.818 1.00 10.00 H new ATOM 0 HB3 GLU A 51 9.724 4.123 11.504 1.00 10.00 H new ATOM 0 HG2 GLU A 51 11.137 5.886 12.467 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.237 7.134 11.629 1.00 10.00 H new ATOM 783 N ALA A 52 9.092 4.631 7.891 1.00 10.00 N ATOM 784 CA ALA A 52 8.582 3.897 6.748 1.00 10.00 C ATOM 785 C ALA A 52 8.918 4.698 5.493 1.00 10.00 C ATOM 786 O ALA A 52 9.047 5.921 5.566 1.00 10.00 O ATOM 787 CB ALA A 52 7.066 3.742 6.893 1.00 10.00 C ATOM 0 H ALA A 52 8.665 5.552 7.991 1.00 10.00 H new ATOM 0 HA ALA A 52 9.029 2.905 6.684 1.00 10.00 H new ATOM 0 HB1 ALA A 52 6.673 3.191 6.038 1.00 10.00 H new ATOM 0 HB2 ALA A 52 6.842 3.197 7.810 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.602 4.727 6.934 1.00 10.00 H new ATOM 793 N SER A 53 9.025 4.020 4.350 1.00 10.00 N ATOM 794 CA SER A 53 9.226 4.648 3.055 1.00 10.00 C ATOM 795 C SER A 53 8.561 3.801 1.968 1.00 10.00 C ATOM 796 O SER A 53 8.325 2.604 2.158 1.00 10.00 O ATOM 797 CB SER A 53 10.715 4.939 2.789 1.00 10.00 C ATOM 798 OG SER A 53 11.568 4.321 3.731 1.00 10.00 O ATOM 0 H SER A 53 8.973 3.002 4.303 1.00 10.00 H new ATOM 0 HA SER A 53 8.743 5.625 3.045 1.00 10.00 H new ATOM 0 HB2 SER A 53 10.975 4.594 1.788 1.00 10.00 H new ATOM 0 HB3 SER A 53 10.879 6.016 2.808 1.00 10.00 H new ATOM 0 HG SER A 53 11.788 3.415 3.428 1.00 10.00 H new ATOM 804 N VAL A 54 8.229 4.446 0.843 1.00 10.00 N ATOM 805 CA VAL A 54 7.540 3.839 -0.290 1.00 10.00 C ATOM 806 C VAL A 54 8.210 2.529 -0.720 1.00 10.00 C ATOM 807 O VAL A 54 7.538 1.527 -0.950 1.00 10.00 O ATOM 808 CB VAL A 54 7.391 4.867 -1.427 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.724 5.423 -1.946 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.572 4.304 -2.596 1.00 10.00 C ATOM 0 H VAL A 54 8.441 5.433 0.697 1.00 10.00 H new ATOM 0 HA VAL A 54 6.531 3.555 0.010 1.00 10.00 H new ATOM 0 HB VAL A 54 6.855 5.703 -0.977 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.533 6.140 -2.745 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.253 5.919 -1.132 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.334 4.606 -2.330 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.489 5.058 -3.378 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.069 3.420 -2.996 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.576 4.033 -2.245 1.00 10.00 H new ATOM 820 N SER A 55 9.542 2.534 -0.792 1.00 10.00 N ATOM 821 CA SER A 55 10.388 1.388 -1.083 1.00 10.00 C ATOM 822 C SER A 55 10.067 0.198 -0.177 1.00 10.00 C ATOM 823 O SER A 55 9.906 -0.935 -0.633 1.00 10.00 O ATOM 824 CB SER A 55 11.838 1.848 -0.872 1.00 10.00 C ATOM 825 OG SER A 55 11.896 2.840 0.145 1.00 10.00 O ATOM 0 H SER A 55 10.083 3.385 -0.640 1.00 10.00 H new ATOM 0 HA SER A 55 10.221 1.048 -2.105 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.461 0.997 -0.596 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.239 2.248 -1.803 1.00 10.00 H new ATOM 0 HG SER A 55 11.584 2.459 0.992 1.00 10.00 H new ATOM 831 N ASP A 56 10.021 0.464 1.122 1.00 10.00 N ATOM 832 CA ASP A 56 10.001 -0.535 2.166 1.00 10.00 C ATOM 833 C ASP A 56 8.614 -1.151 2.181 1.00 10.00 C ATOM 834 O ASP A 56 8.457 -2.370 2.116 1.00 10.00 O ATOM 835 CB ASP A 56 10.360 0.138 3.498 1.00 10.00 C ATOM 836 CG ASP A 56 11.656 0.928 3.383 1.00 10.00 C ATOM 837 OD1 ASP A 56 11.628 1.937 2.635 1.00 10.00 O ATOM 838 OD2 ASP A 56 12.646 0.515 4.015 1.00 10.00 O ATOM 0 H ASP A 56 9.996 1.417 1.483 1.00 10.00 H new ATOM 0 HA ASP A 56 10.730 -1.327 1.996 1.00 10.00 H new ATOM 0 HB2 ASP A 56 9.551 0.803 3.802 1.00 10.00 H new ATOM 0 HB3 ASP A 56 10.460 -0.619 4.276 1.00 10.00 H new ATOM 843 N LEU A 57 7.591 -0.291 2.190 1.00 10.00 N ATOM 844 CA LEU A 57 6.225 -0.766 2.067 1.00 10.00 C ATOM 845 C LEU A 57 6.045 -1.552 0.764 1.00 10.00 C ATOM 846 O LEU A 57 5.366 -2.578 0.759 1.00 10.00 O ATOM 847 CB LEU A 57 5.209 0.351 2.352 1.00 10.00 C ATOM 848 CG LEU A 57 5.106 1.503 1.345 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.259 1.167 0.111 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.470 2.727 2.026 1.00 10.00 C ATOM 0 H LEU A 57 7.688 0.720 2.280 1.00 10.00 H new ATOM 0 HA LEU A 57 6.006 -1.494 2.848 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.224 -0.107 2.437 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.447 0.779 3.326 1.00 10.00 H new ATOM 0 HG LEU A 57 6.124 1.701 1.011 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.231 2.028 -0.557 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.698 0.317 -0.411 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.245 0.917 0.423 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.397 3.545 1.309 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.473 2.468 2.383 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.088 3.037 2.869 1.00 10.00 H new ATOM 862 N LYS A 58 6.712 -1.149 -0.326 1.00 10.00 N ATOM 863 CA LYS A 58 6.714 -1.930 -1.557 1.00 10.00 C ATOM 864 C LYS A 58 7.039 -3.403 -1.282 1.00 10.00 C ATOM 865 O LYS A 58 6.280 -4.282 -1.685 1.00 10.00 O ATOM 866 CB LYS A 58 7.694 -1.342 -2.592 1.00 10.00 C ATOM 867 CG LYS A 58 7.007 -1.112 -3.935 1.00 10.00 C ATOM 868 CD LYS A 58 6.547 -2.428 -4.576 1.00 10.00 C ATOM 869 CE LYS A 58 7.480 -2.866 -5.711 1.00 10.00 C ATOM 870 NZ LYS A 58 8.677 -3.545 -5.186 1.00 10.00 N ATOM 0 H LYS A 58 7.255 -0.287 -0.374 1.00 10.00 H new ATOM 0 HA LYS A 58 5.709 -1.878 -1.976 1.00 10.00 H new ATOM 0 HB2 LYS A 58 8.097 -0.400 -2.221 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.538 -2.020 -2.724 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.147 -0.456 -3.795 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.692 -0.600 -4.610 1.00 10.00 H new ATOM 0 HD2 LYS A 58 6.508 -3.208 -3.816 1.00 10.00 H new ATOM 0 HD3 LYS A 58 5.535 -2.309 -4.963 1.00 10.00 H new ATOM 0 HE2 LYS A 58 6.946 -3.535 -6.386 1.00 10.00 H new ATOM 0 HE3 LYS A 58 7.779 -1.996 -6.295 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 9.329 -3.754 -5.969 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 9.151 -2.928 -4.496 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 8.397 -4.433 -4.722 1.00 10.00 H new ATOM 884 N GLU A 59 8.149 -3.679 -0.589 1.00 10.00 N ATOM 885 CA GLU A 59 8.547 -5.049 -0.266 1.00 10.00 C ATOM 886 C GLU A 59 7.400 -5.796 0.420 1.00 10.00 C ATOM 887 O GLU A 59 7.157 -6.973 0.164 1.00 10.00 O ATOM 888 CB GLU A 59 9.773 -5.042 0.660 1.00 10.00 C ATOM 889 CG GLU A 59 10.451 -6.426 0.689 1.00 10.00 C ATOM 890 CD GLU A 59 10.814 -6.877 2.097 1.00 10.00 C ATOM 891 OE1 GLU A 59 9.886 -6.967 2.931 1.00 10.00 O ATOM 892 OE2 GLU A 59 11.983 -7.243 2.327 1.00 10.00 O ATOM 0 H GLU A 59 8.789 -2.966 -0.240 1.00 10.00 H new ATOM 0 HA GLU A 59 8.797 -5.557 -1.197 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.486 -4.291 0.320 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.470 -4.760 1.668 1.00 10.00 H new ATOM 0 HG2 GLU A 59 9.785 -7.161 0.238 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.353 -6.396 0.078 1.00 10.00 H new ATOM 899 N ALA A 60 6.686 -5.084 1.290 1.00 10.00 N ATOM 900 CA ALA A 60 5.642 -5.649 2.127 1.00 10.00 C ATOM 901 C ALA A 60 4.447 -6.031 1.261 1.00 10.00 C ATOM 902 O ALA A 60 3.762 -7.015 1.538 1.00 10.00 O ATOM 903 CB ALA A 60 5.256 -4.654 3.225 1.00 10.00 C ATOM 0 H ALA A 60 6.823 -4.083 1.432 1.00 10.00 H new ATOM 0 HA ALA A 60 6.006 -6.552 2.617 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.473 -5.086 3.848 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.129 -4.434 3.840 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.891 -3.733 2.770 1.00 10.00 H new ATOM 909 N VAL A 61 4.210 -5.248 0.208 1.00 10.00 N ATOM 910 CA VAL A 61 3.149 -5.495 -0.748 1.00 10.00 C ATOM 911 C VAL A 61 3.555 -6.667 -1.649 1.00 10.00 C ATOM 912 O VAL A 61 2.826 -7.655 -1.714 1.00 10.00 O ATOM 913 CB VAL A 61 2.822 -4.204 -1.516 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.636 -4.455 -2.452 1.00 10.00 C ATOM 915 CG2 VAL A 61 2.465 -3.048 -0.564 1.00 10.00 C ATOM 0 H VAL A 61 4.761 -4.415 -0.001 1.00 10.00 H new ATOM 0 HA VAL A 61 2.226 -5.784 -0.245 1.00 10.00 H new ATOM 0 HB VAL A 61 3.709 -3.921 -2.083 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.403 -3.540 -2.997 1.00 10.00 H new ATOM 0 HG12 VAL A 61 1.891 -5.244 -3.159 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.768 -4.759 -1.866 1.00 10.00 H new ATOM 0 HG21 VAL A 61 2.240 -2.154 -1.146 1.00 10.00 H new ATOM 0 HG22 VAL A 61 1.594 -3.322 0.031 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.308 -2.848 0.098 1.00 10.00 H new ATOM 925 N ASP A 62 4.740 -6.602 -2.276 1.00 10.00 N ATOM 926 CA ASP A 62 5.291 -7.704 -3.069 1.00 10.00 C ATOM 927 C ASP A 62 5.205 -9.017 -2.282 1.00 10.00 C ATOM 928 O ASP A 62 4.789 -10.038 -2.827 1.00 10.00 O ATOM 929 CB ASP A 62 6.748 -7.427 -3.487 1.00 10.00 C ATOM 930 CG ASP A 62 6.901 -6.893 -4.906 1.00 10.00 C ATOM 931 OD1 ASP A 62 6.625 -7.635 -5.876 1.00 10.00 O ATOM 932 OD2 ASP A 62 7.376 -5.746 -5.034 1.00 10.00 O ATOM 0 H ASP A 62 5.342 -5.779 -2.245 1.00 10.00 H new ATOM 0 HA ASP A 62 4.695 -7.792 -3.978 1.00 10.00 H new ATOM 0 HB2 ASP A 62 7.183 -6.709 -2.792 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.322 -8.349 -3.394 1.00 10.00 H new ATOM 937 N LYS A 63 5.560 -8.998 -0.991 1.00 10.00 N ATOM 938 CA LYS A 63 5.493 -10.159 -0.116 1.00 10.00 C ATOM 939 C LYS A 63 4.116 -10.838 -0.104 1.00 10.00 C ATOM 940 O LYS A 63 4.041 -12.039 0.145 1.00 10.00 O ATOM 941 CB LYS A 63 5.918 -9.741 1.300 1.00 10.00 C ATOM 942 CG LYS A 63 7.349 -10.198 1.601 1.00 10.00 C ATOM 943 CD LYS A 63 7.871 -9.575 2.902 1.00 10.00 C ATOM 944 CE LYS A 63 9.263 -10.136 3.240 1.00 10.00 C ATOM 945 NZ LYS A 63 10.000 -9.274 4.188 1.00 10.00 N ATOM 0 H LYS A 63 5.906 -8.159 -0.525 1.00 10.00 H new ATOM 0 HA LYS A 63 6.179 -10.909 -0.508 1.00 10.00 H new ATOM 0 HB2 LYS A 63 5.850 -8.658 1.399 1.00 10.00 H new ATOM 0 HB3 LYS A 63 5.234 -10.172 2.031 1.00 10.00 H new ATOM 0 HG2 LYS A 63 7.377 -11.285 1.679 1.00 10.00 H new ATOM 0 HG3 LYS A 63 8.003 -9.921 0.774 1.00 10.00 H new ATOM 0 HD2 LYS A 63 7.923 -8.491 2.799 1.00 10.00 H new ATOM 0 HD3 LYS A 63 7.179 -9.785 3.717 1.00 10.00 H new ATOM 0 HE2 LYS A 63 9.157 -11.133 3.667 1.00 10.00 H new ATOM 0 HE3 LYS A 63 9.842 -10.242 2.323 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 10.995 -9.575 4.230 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 9.951 -8.285 3.869 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 9.574 -9.354 5.133 1.00 10.00 H new ATOM 959 N LEU A 64 3.032 -10.093 -0.335 1.00 10.00 N ATOM 960 CA LEU A 64 1.686 -10.652 -0.393 1.00 10.00 C ATOM 961 C LEU A 64 1.383 -11.268 -1.764 1.00 10.00 C ATOM 962 O LEU A 64 0.441 -12.051 -1.874 1.00 10.00 O ATOM 963 CB LEU A 64 0.661 -9.579 -0.015 1.00 10.00 C ATOM 964 CG LEU A 64 0.749 -9.198 1.471 1.00 10.00 C ATOM 965 CD1 LEU A 64 0.174 -7.797 1.684 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.025 -10.201 2.338 1.00 10.00 C ATOM 0 H LEU A 64 3.067 -9.085 -0.487 1.00 10.00 H new ATOM 0 HA LEU A 64 1.620 -11.464 0.331 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.822 -8.692 -0.627 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.343 -9.942 -0.238 1.00 10.00 H new ATOM 0 HG LEU A 64 1.798 -9.215 1.765 1.00 10.00 H new ATOM 0 HD11 LEU A 64 0.240 -7.533 2.740 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.742 -7.077 1.094 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -0.870 -7.780 1.370 1.00 10.00 H new ATOM 0 HD21 LEU A 64 0.051 -9.911 3.386 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.073 -10.208 2.039 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.396 -11.197 2.206 1.00 10.00 H new ATOM 978 N GLY A 65 2.158 -10.935 -2.801 1.00 10.00 N ATOM 979 CA GLY A 65 2.099 -11.571 -4.110 1.00 10.00 C ATOM 980 C GLY A 65 1.846 -10.531 -5.193 1.00 10.00 C ATOM 981 O GLY A 65 2.592 -10.439 -6.165 1.00 10.00 O ATOM 0 H GLY A 65 2.860 -10.197 -2.746 1.00 10.00 H new ATOM 0 HA2 GLY A 65 3.034 -12.094 -4.310 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.306 -12.319 -4.123 1.00 10.00 H new ATOM 985 N TYR A 66 0.778 -9.750 -5.024 1.00 10.00 N ATOM 986 CA TYR A 66 0.481 -8.632 -5.909 1.00 10.00 C ATOM 987 C TYR A 66 1.561 -7.558 -5.795 1.00 10.00 C ATOM 988 O TYR A 66 2.250 -7.460 -4.781 1.00 10.00 O ATOM 989 CB TYR A 66 -0.910 -8.056 -5.623 1.00 10.00 C ATOM 990 CG TYR A 66 -1.365 -8.116 -4.185 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.753 -7.293 -3.223 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.342 -9.050 -3.793 1.00 10.00 C ATOM 993 CE1 TYR A 66 -1.151 -7.370 -1.882 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.739 -9.122 -2.451 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.183 -8.247 -1.508 1.00 10.00 C ATOM 996 OH TYR A 66 -2.655 -8.236 -0.236 1.00 10.00 O ATOM 0 H TYR A 66 0.100 -9.877 -4.273 1.00 10.00 H new ATOM 0 HA TYR A 66 0.477 -9.000 -6.935 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.924 -7.015 -5.945 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.636 -8.590 -6.236 1.00 10.00 H new ATOM 0 HD1 TYR A 66 0.023 -6.602 -3.518 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.785 -9.710 -4.525 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.666 -6.757 -1.137 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.473 -9.852 -2.143 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.529 -7.794 -0.215 1.00 10.00 H new ATOM 1006 N LYS A 67 1.696 -6.752 -6.848 1.00 10.00 N ATOM 1007 CA LYS A 67 2.701 -5.704 -6.936 1.00 10.00 C ATOM 1008 C LYS A 67 2.102 -4.329 -6.682 1.00 10.00 C ATOM 1009 O LYS A 67 0.887 -4.177 -6.564 1.00 10.00 O ATOM 1010 CB LYS A 67 3.411 -5.751 -8.297 1.00 10.00 C ATOM 1011 CG LYS A 67 4.845 -6.218 -8.099 1.00 10.00 C ATOM 1012 CD LYS A 67 5.661 -6.021 -9.379 1.00 10.00 C ATOM 1013 CE LYS A 67 7.133 -6.372 -9.125 1.00 10.00 C ATOM 1014 NZ LYS A 67 7.282 -7.673 -8.439 1.00 10.00 N ATOM 0 H LYS A 67 1.100 -6.813 -7.673 1.00 10.00 H new ATOM 0 HA LYS A 67 3.439 -5.885 -6.155 1.00 10.00 H new ATOM 0 HB2 LYS A 67 2.886 -6.428 -8.971 1.00 10.00 H new ATOM 0 HB3 LYS A 67 3.398 -4.765 -8.761 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.304 -5.663 -7.281 1.00 10.00 H new ATOM 0 HG3 LYS A 67 4.854 -7.270 -7.815 1.00 10.00 H new ATOM 0 HD2 LYS A 67 5.261 -6.650 -10.175 1.00 10.00 H new ATOM 0 HD3 LYS A 67 5.578 -4.988 -9.717 1.00 10.00 H new ATOM 0 HE2 LYS A 67 7.668 -6.399 -10.074 1.00 10.00 H new ATOM 0 HE3 LYS A 67 7.593 -5.589 -8.522 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 8.174 -8.120 -8.733 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 7.292 -7.524 -7.410 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 6.485 -8.292 -8.691 1.00 10.00 H new ATOM 1028 N LEU A 68 2.979 -3.327 -6.606 1.00 10.00 N ATOM 1029 CA LEU A 68 2.639 -1.941 -6.382 1.00 10.00 C ATOM 1030 C LEU A 68 3.736 -1.103 -7.021 1.00 10.00 C ATOM 1031 O LEU A 68 4.859 -1.583 -7.188 1.00 10.00 O ATOM 1032 CB LEU A 68 2.516 -1.707 -4.873 1.00 10.00 C ATOM 1033 CG LEU A 68 2.156 -0.288 -4.409 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.140 -0.361 -3.264 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.414 0.446 -3.920 1.00 10.00 C ATOM 0 H LEU A 68 3.983 -3.476 -6.704 1.00 10.00 H new ATOM 0 HA LEU A 68 1.684 -1.662 -6.828 1.00 10.00 H new ATOM 0 HB2 LEU A 68 1.761 -2.391 -4.486 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.463 -1.983 -4.410 1.00 10.00 H new ATOM 0 HG LEU A 68 1.726 0.256 -5.250 1.00 10.00 H new ATOM 0 HD11 LEU A 68 0.887 0.648 -2.937 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.239 -0.868 -3.609 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.571 -0.915 -2.430 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.145 1.451 -3.594 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.853 -0.101 -3.086 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.137 0.510 -4.733 1.00 10.00 H new ATOM 1047 N LYS A 69 3.412 0.138 -7.373 1.00 10.00 N ATOM 1048 CA LYS A 69 4.310 1.117 -7.963 1.00 10.00 C ATOM 1049 C LYS A 69 3.777 2.508 -7.630 1.00 10.00 C ATOM 1050 O LYS A 69 2.646 2.634 -7.174 1.00 10.00 O ATOM 1051 CB LYS A 69 4.393 0.939 -9.486 1.00 10.00 C ATOM 1052 CG LYS A 69 5.078 -0.372 -9.894 1.00 10.00 C ATOM 1053 CD LYS A 69 5.585 -0.341 -11.341 1.00 10.00 C ATOM 1054 CE LYS A 69 6.903 0.447 -11.451 1.00 10.00 C ATOM 1055 NZ LYS A 69 7.420 0.477 -12.833 1.00 10.00 N ATOM 0 H LYS A 69 2.468 0.503 -7.247 1.00 10.00 H new ATOM 0 HA LYS A 69 5.313 0.983 -7.559 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.387 0.964 -9.906 1.00 10.00 H new ATOM 0 HB3 LYS A 69 4.939 1.778 -9.916 1.00 10.00 H new ATOM 0 HG2 LYS A 69 5.915 -0.566 -9.223 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.376 -1.198 -9.775 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.736 -1.360 -11.698 1.00 10.00 H new ATOM 0 HD3 LYS A 69 4.831 0.114 -11.984 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.745 1.467 -11.102 1.00 10.00 H new ATOM 0 HE3 LYS A 69 7.649 -0.002 -10.795 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.308 1.018 -12.860 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.596 -0.495 -13.159 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 6.720 0.929 -13.456 1.00 10.00 H new ATOM 1069 N LEU A 70 4.585 3.545 -7.852 1.00 10.00 N ATOM 1070 CA LEU A 70 4.211 4.923 -7.557 1.00 10.00 C ATOM 1071 C LEU A 70 3.095 5.415 -8.473 1.00 10.00 C ATOM 1072 O LEU A 70 3.010 5.009 -9.632 1.00 10.00 O ATOM 1073 CB LEU A 70 5.459 5.821 -7.576 1.00 10.00 C ATOM 1074 CG LEU A 70 5.250 7.348 -7.650 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.472 8.049 -7.043 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.101 7.855 -9.092 1.00 10.00 C ATOM 0 H LEU A 70 5.522 3.449 -8.244 1.00 10.00 H new ATOM 0 HA LEU A 70 3.796 4.971 -6.550 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.039 5.606 -6.678 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.070 5.526 -8.429 1.00 10.00 H new ATOM 0 HG LEU A 70 4.332 7.571 -7.106 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.333 9.129 -7.091 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.587 7.744 -6.003 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.365 7.773 -7.603 1.00 10.00 H new ATOM 0 HD21 LEU A 70 4.956 8.935 -9.085 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.001 7.613 -9.658 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.240 7.377 -9.559 1.00 10.00 H new ATOM 1088 N LYS A 71 2.269 6.315 -7.934 1.00 10.00 N ATOM 1089 CA LYS A 71 1.256 7.068 -8.656 1.00 10.00 C ATOM 1090 C LYS A 71 1.517 8.567 -8.527 1.00 10.00 C ATOM 1091 O LYS A 71 1.619 9.264 -9.535 1.00 10.00 O ATOM 1092 CB LYS A 71 -0.161 6.678 -8.206 1.00 10.00 C ATOM 1093 CG LYS A 71 -1.184 6.724 -9.346 1.00 10.00 C ATOM 1094 CD LYS A 71 -1.058 5.468 -10.221 1.00 10.00 C ATOM 1095 CE LYS A 71 -2.092 5.438 -11.354 1.00 10.00 C ATOM 1096 NZ LYS A 71 -3.314 4.691 -10.980 1.00 10.00 N ATOM 0 H LYS A 71 2.294 6.544 -6.940 1.00 10.00 H new ATOM 0 HA LYS A 71 1.322 6.814 -9.714 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.139 5.673 -7.785 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.482 7.350 -7.410 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.192 6.792 -8.937 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.025 7.616 -9.952 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -0.055 5.424 -10.647 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.179 4.581 -9.599 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.361 6.459 -11.624 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -1.646 4.982 -12.238 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -4.123 5.053 -11.524 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -3.181 3.681 -11.189 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -3.498 4.813 -9.964 1.00 10.00 H new