USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 459 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 62 SER OG : rot 151:sc= 0.68 USER MOD Set 1.2: A 66 LYS NZ :NH3+ 164:sc= 0.779 (180deg=0) USER MOD Set 2.1: A 26 GLN : amide:sc= 1.32 K(o=1.8,f=-3) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -167:sc= 0.455 (180deg=-0.154) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 24 GLN : amide:sc= -0.0466 X(o=-0.047,f=-0.047) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.2) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0611 X(o=-0.061,f=-0.085) USER MOD Single : A 49 SER OG : rot 70:sc= 1.23 USER MOD Single : A 52 SER OG : rot 75:sc= 0.438 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 15:sc= -0.245 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 61 GLN : amide:sc= 1.17 K(o=1.2,f=-7.4!) USER MOD Single : A 63 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.32) USER MOD Single : A 64 THR OG1 : rot -69:sc= 0.483 USER MOD ----------------------------------------------------------------- ATOM 58 N TRP A 5 1.124 4.753 -8.012 1.00 10.00 N ATOM 59 CA TRP A 5 0.373 5.962 -7.643 1.00 10.00 C ATOM 60 C TRP A 5 0.817 6.589 -6.317 1.00 10.00 C ATOM 61 O TRP A 5 0.983 7.803 -6.228 1.00 10.00 O ATOM 62 CB TRP A 5 -1.119 5.602 -7.623 1.00 10.00 C ATOM 63 CG TRP A 5 -2.069 6.757 -7.533 1.00 10.00 C ATOM 64 CD1 TRP A 5 -2.554 7.296 -6.390 1.00 10.00 C ATOM 65 CD2 TRP A 5 -2.695 7.505 -8.624 1.00 10.00 C ATOM 66 NE1 TRP A 5 -3.436 8.315 -6.697 1.00 10.00 N ATOM 67 CE2 TRP A 5 -3.568 8.483 -8.058 1.00 10.00 C ATOM 68 CE3 TRP A 5 -2.628 7.445 -10.033 1.00 10.00 C ATOM 69 CZ2 TRP A 5 -4.343 9.348 -8.845 1.00 10.00 C ATOM 70 CZ3 TRP A 5 -3.399 8.310 -10.835 1.00 10.00 C ATOM 71 CH2 TRP A 5 -4.259 9.255 -10.246 1.00 10.00 C ATOM 0 HA TRP A 5 0.577 6.731 -8.388 1.00 10.00 H new ATOM 0 HB2 TRP A 5 -1.349 5.037 -8.526 1.00 10.00 H new ATOM 0 HB3 TRP A 5 -1.302 4.939 -6.777 1.00 10.00 H new ATOM 0 HD1 TRP A 5 -2.292 6.979 -5.391 1.00 10.00 H new ATOM 0 HE1 TRP A 5 -3.929 8.874 -6.001 1.00 10.00 H new ATOM 0 HE3 TRP A 5 -1.975 6.725 -10.504 1.00 10.00 H new ATOM 0 HZ2 TRP A 5 -4.994 10.074 -8.382 1.00 10.00 H new ATOM 0 HZ3 TRP A 5 -3.329 8.247 -11.911 1.00 10.00 H new ATOM 0 HH2 TRP A 5 -4.853 9.908 -10.868 1.00 10.00 H new ATOM 82 N SER A 6 1.104 5.767 -5.307 1.00 10.00 N ATOM 83 CA SER A 6 1.604 6.189 -3.988 1.00 10.00 C ATOM 84 C SER A 6 2.935 6.968 -4.011 1.00 10.00 C ATOM 85 O SER A 6 3.235 7.688 -3.056 1.00 10.00 O ATOM 86 CB SER A 6 1.735 4.958 -3.085 1.00 10.00 C ATOM 87 OG SER A 6 2.592 3.990 -3.676 1.00 10.00 O ATOM 0 H SER A 6 0.993 4.756 -5.382 1.00 10.00 H new ATOM 0 HA SER A 6 0.869 6.895 -3.600 1.00 10.00 H new ATOM 0 HB2 SER A 6 2.129 5.254 -2.113 1.00 10.00 H new ATOM 0 HB3 SER A 6 0.751 4.522 -2.911 1.00 10.00 H new ATOM 0 HG SER A 6 2.664 3.212 -3.084 1.00 10.00 H new ATOM 93 N GLY A 7 3.707 6.887 -5.102 1.00 10.00 N ATOM 94 CA GLY A 7 4.959 7.629 -5.317 1.00 10.00 C ATOM 95 C GLY A 7 4.803 8.946 -6.098 1.00 10.00 C ATOM 96 O GLY A 7 5.796 9.642 -6.318 1.00 10.00 O ATOM 0 H GLY A 7 3.470 6.282 -5.888 1.00 10.00 H new ATOM 0 HA2 GLY A 7 5.406 7.849 -4.347 1.00 10.00 H new ATOM 0 HA3 GLY A 7 5.658 6.986 -5.852 1.00 10.00 H new ATOM 100 N TYR A 8 3.577 9.297 -6.510 1.00 10.00 N ATOM 101 CA TYR A 8 3.240 10.470 -7.327 1.00 10.00 C ATOM 102 C TYR A 8 1.959 11.207 -6.861 1.00 10.00 C ATOM 103 O TYR A 8 1.712 12.353 -7.243 1.00 10.00 O ATOM 104 CB TYR A 8 3.152 9.998 -8.791 1.00 10.00 C ATOM 105 CG TYR A 8 3.013 11.051 -9.882 1.00 10.00 C ATOM 106 CD1 TYR A 8 3.662 12.302 -9.788 1.00 10.00 C ATOM 107 CD2 TYR A 8 2.272 10.740 -11.041 1.00 10.00 C ATOM 108 CE1 TYR A 8 3.545 13.243 -10.830 1.00 10.00 C ATOM 109 CE2 TYR A 8 2.162 11.674 -12.089 1.00 10.00 C ATOM 110 CZ TYR A 8 2.793 12.932 -11.984 1.00 10.00 C ATOM 111 OH TYR A 8 2.682 13.831 -13.001 1.00 10.00 O ATOM 0 H TYR A 8 2.754 8.744 -6.271 1.00 10.00 H new ATOM 0 HA TYR A 8 4.021 11.222 -7.216 1.00 10.00 H new ATOM 0 HB2 TYR A 8 4.046 9.413 -9.006 1.00 10.00 H new ATOM 0 HB3 TYR A 8 2.301 9.321 -8.872 1.00 10.00 H new ATOM 0 HD1 TYR A 8 4.250 12.538 -8.914 1.00 10.00 H new ATOM 0 HD2 TYR A 8 1.786 9.779 -11.125 1.00 10.00 H new ATOM 0 HE1 TYR A 8 4.031 14.204 -10.746 1.00 10.00 H new ATOM 0 HE2 TYR A 8 1.594 11.427 -12.974 1.00 10.00 H new ATOM 0 HH TYR A 8 2.129 13.450 -13.715 1.00 10.00 H new ATOM 121 N LEU A 9 1.179 10.574 -5.977 1.00 10.00 N ATOM 122 CA LEU A 9 -0.088 11.019 -5.391 1.00 10.00 C ATOM 123 C LEU A 9 -0.132 12.506 -5.019 1.00 10.00 C ATOM 124 O LEU A 9 -1.043 13.225 -5.428 1.00 10.00 O ATOM 125 CB LEU A 9 -0.349 10.114 -4.163 1.00 10.00 C ATOM 126 CG LEU A 9 -1.485 10.566 -3.229 1.00 10.00 C ATOM 127 CD1 LEU A 9 -2.822 10.610 -3.957 1.00 10.00 C ATOM 128 CD2 LEU A 9 -1.609 9.611 -2.043 1.00 10.00 C ATOM 0 H LEU A 9 1.444 9.655 -5.623 1.00 10.00 H new ATOM 0 HA LEU A 9 -0.874 10.923 -6.140 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -0.574 9.108 -4.518 1.00 10.00 H new ATOM 0 HB3 LEU A 9 0.570 10.049 -3.581 1.00 10.00 H new ATOM 0 HG LEU A 9 -1.236 11.569 -2.881 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -3.601 10.933 -3.267 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -2.760 11.311 -4.789 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -3.062 9.617 -4.337 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -2.417 9.944 -1.391 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -1.826 8.606 -2.406 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -0.673 9.601 -1.485 1.00 10.00 H new ATOM 140 N ASP A 10 0.852 12.964 -4.251 1.00 10.00 N ATOM 141 CA ASP A 10 0.865 14.295 -3.627 1.00 10.00 C ATOM 142 C ASP A 10 1.179 15.454 -4.607 1.00 10.00 C ATOM 143 O ASP A 10 1.348 16.601 -4.195 1.00 10.00 O ATOM 144 CB ASP A 10 1.847 14.250 -2.442 1.00 10.00 C ATOM 145 CG ASP A 10 1.703 15.444 -1.479 1.00 10.00 C ATOM 146 OD1 ASP A 10 0.579 15.687 -0.976 1.00 10.00 O ATOM 147 OD2 ASP A 10 2.727 16.101 -1.167 1.00 10.00 O ATOM 0 H ASP A 10 1.683 12.413 -4.037 1.00 10.00 H new ATOM 0 HA ASP A 10 -0.143 14.521 -3.279 1.00 10.00 H new ATOM 0 HB2 ASP A 10 1.692 13.325 -1.887 1.00 10.00 H new ATOM 0 HB3 ASP A 10 2.867 14.224 -2.826 1.00 10.00 H new ATOM 152 N ASP A 11 1.233 15.170 -5.913 1.00 10.00 N ATOM 153 CA ASP A 11 1.304 16.158 -7.002 1.00 10.00 C ATOM 154 C ASP A 11 0.210 15.935 -8.074 1.00 10.00 C ATOM 155 O ASP A 11 0.099 16.702 -9.033 1.00 10.00 O ATOM 156 CB ASP A 11 2.723 16.130 -7.596 1.00 10.00 C ATOM 157 CG ASP A 11 3.003 17.304 -8.554 1.00 10.00 C ATOM 158 OD1 ASP A 11 2.886 18.479 -8.128 1.00 10.00 O ATOM 159 OD2 ASP A 11 3.398 17.058 -9.720 1.00 10.00 O ATOM 0 H ASP A 11 1.228 14.210 -6.256 1.00 10.00 H new ATOM 0 HA ASP A 11 1.105 17.151 -6.598 1.00 10.00 H new ATOM 0 HB2 ASP A 11 3.450 16.150 -6.784 1.00 10.00 H new ATOM 0 HB3 ASP A 11 2.868 15.191 -8.130 1.00 10.00 H new ATOM 164 N VAL A 12 -0.643 14.920 -7.883 1.00 10.00 N ATOM 165 CA VAL A 12 -1.766 14.539 -8.738 1.00 10.00 C ATOM 166 C VAL A 12 -3.089 14.782 -8.028 1.00 10.00 C ATOM 167 O VAL A 12 -3.856 15.646 -8.437 1.00 10.00 O ATOM 168 CB VAL A 12 -1.623 13.067 -9.178 1.00 10.00 C ATOM 169 CG1 VAL A 12 -2.858 12.552 -9.923 1.00 10.00 C ATOM 170 CG2 VAL A 12 -0.398 12.895 -10.077 1.00 10.00 C ATOM 0 H VAL A 12 -0.558 14.306 -7.073 1.00 10.00 H new ATOM 0 HA VAL A 12 -1.756 15.162 -9.633 1.00 10.00 H new ATOM 0 HB VAL A 12 -1.510 12.482 -8.265 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -2.703 11.512 -10.209 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -3.731 12.624 -9.274 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -3.021 13.154 -10.817 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -0.312 11.851 -10.378 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -0.506 13.521 -10.963 1.00 10.00 H new ATOM 0 HG23 VAL A 12 0.498 13.190 -9.531 1.00 10.00 H new ATOM 180 N SER A 13 -3.326 14.100 -6.911 1.00 10.00 N ATOM 181 CA SER A 13 -4.453 14.355 -6.017 1.00 10.00 C ATOM 182 C SER A 13 -4.404 15.756 -5.426 1.00 10.00 C ATOM 183 O SER A 13 -5.435 16.410 -5.276 1.00 10.00 O ATOM 184 CB SER A 13 -4.448 13.317 -4.903 1.00 10.00 C ATOM 185 OG SER A 13 -5.568 13.472 -4.049 1.00 10.00 O ATOM 0 H SER A 13 -2.727 13.338 -6.595 1.00 10.00 H new ATOM 0 HA SER A 13 -5.373 14.281 -6.597 1.00 10.00 H new ATOM 0 HB2 SER A 13 -4.454 12.316 -5.335 1.00 10.00 H new ATOM 0 HB3 SER A 13 -3.530 13.408 -4.322 1.00 10.00 H new ATOM 0 HG SER A 13 -5.539 12.791 -3.345 1.00 10.00 H new ATOM 191 N ALA A 14 -3.198 16.275 -5.171 1.00 10.00 N ATOM 192 CA ALA A 14 -3.046 17.611 -4.619 1.00 10.00 C ATOM 193 C ALA A 14 -3.592 18.736 -5.534 1.00 10.00 C ATOM 194 O ALA A 14 -3.824 19.850 -5.058 1.00 10.00 O ATOM 195 CB ALA A 14 -1.601 17.865 -4.209 1.00 10.00 C ATOM 0 H ALA A 14 -2.319 15.786 -5.340 1.00 10.00 H new ATOM 0 HA ALA A 14 -3.671 17.645 -3.727 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -1.511 18.871 -3.799 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -1.304 17.137 -3.454 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -0.953 17.769 -5.080 1.00 10.00 H new ATOM 201 N LYS A 15 -3.851 18.457 -6.828 1.00 10.00 N ATOM 202 CA LYS A 15 -4.571 19.363 -7.739 1.00 10.00 C ATOM 203 C LYS A 15 -5.947 19.750 -7.183 1.00 10.00 C ATOM 204 O LYS A 15 -6.362 20.906 -7.272 1.00 10.00 O ATOM 205 CB LYS A 15 -4.640 18.770 -9.164 1.00 10.00 C ATOM 206 CG LYS A 15 -5.842 17.840 -9.452 1.00 10.00 C ATOM 207 CD LYS A 15 -5.696 17.112 -10.795 1.00 10.00 C ATOM 208 CE LYS A 15 -5.736 18.069 -11.994 1.00 10.00 C ATOM 209 NZ LYS A 15 -5.600 17.336 -13.280 1.00 10.00 N ATOM 0 H LYS A 15 -3.562 17.586 -7.272 1.00 10.00 H new ATOM 0 HA LYS A 15 -4.007 20.293 -7.812 1.00 10.00 H new ATOM 0 HB2 LYS A 15 -4.663 19.593 -9.878 1.00 10.00 H new ATOM 0 HB3 LYS A 15 -3.722 18.213 -9.349 1.00 10.00 H new ATOM 0 HG2 LYS A 15 -5.934 17.107 -8.650 1.00 10.00 H new ATOM 0 HG3 LYS A 15 -6.761 18.426 -9.455 1.00 10.00 H new ATOM 0 HD2 LYS A 15 -4.755 16.562 -10.805 1.00 10.00 H new ATOM 0 HD3 LYS A 15 -6.495 16.378 -10.894 1.00 10.00 H new ATOM 0 HE2 LYS A 15 -6.674 18.623 -11.987 1.00 10.00 H new ATOM 0 HE3 LYS A 15 -4.933 18.801 -11.904 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 -5.631 18.012 -14.070 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 -4.693 16.827 -13.295 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 -6.381 16.656 -13.376 1.00 10.00 H new ATOM 223 N PHE A 16 -6.619 18.784 -6.550 1.00 10.00 N ATOM 224 CA PHE A 16 -7.873 18.970 -5.840 1.00 10.00 C ATOM 225 C PHE A 16 -7.697 19.860 -4.607 1.00 10.00 C ATOM 226 O PHE A 16 -8.479 20.782 -4.409 1.00 10.00 O ATOM 227 CB PHE A 16 -8.518 17.599 -5.524 1.00 10.00 C ATOM 228 CG PHE A 16 -8.897 17.355 -4.070 1.00 10.00 C ATOM 229 CD1 PHE A 16 -9.986 18.045 -3.505 1.00 10.00 C ATOM 230 CD2 PHE A 16 -8.143 16.477 -3.266 1.00 10.00 C ATOM 231 CE1 PHE A 16 -10.294 17.893 -2.142 1.00 10.00 C ATOM 232 CE2 PHE A 16 -8.460 16.314 -1.905 1.00 10.00 C ATOM 233 CZ PHE A 16 -9.530 17.028 -1.341 1.00 10.00 C ATOM 0 H PHE A 16 -6.287 17.820 -6.521 1.00 10.00 H new ATOM 0 HA PHE A 16 -8.569 19.506 -6.486 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -9.415 17.493 -6.134 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -7.827 16.815 -5.834 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -10.588 18.695 -4.122 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -7.319 15.927 -3.696 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -11.118 18.441 -1.710 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -7.880 15.639 -1.293 1.00 10.00 H new ATOM 0 HZ PHE A 16 -9.765 16.912 -0.293 1.00 10.00 H new ATOM 243 N ASP A 17 -6.650 19.642 -3.809 1.00 10.00 N ATOM 244 CA ASP A 17 -6.469 20.295 -2.509 1.00 10.00 C ATOM 245 C ASP A 17 -6.362 21.838 -2.562 1.00 10.00 C ATOM 246 O ASP A 17 -6.611 22.507 -1.558 1.00 10.00 O ATOM 247 CB ASP A 17 -5.258 19.664 -1.804 1.00 10.00 C ATOM 248 CG ASP A 17 -5.120 20.115 -0.339 1.00 10.00 C ATOM 249 OD1 ASP A 17 -5.975 19.735 0.497 1.00 10.00 O ATOM 250 OD2 ASP A 17 -4.130 20.812 -0.010 1.00 10.00 O ATOM 0 H ASP A 17 -5.895 19.000 -4.049 1.00 10.00 H new ATOM 0 HA ASP A 17 -7.379 20.120 -1.935 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.348 18.578 -1.838 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -4.350 19.926 -2.347 1.00 10.00 H new ATOM 255 N THR A 18 -6.065 22.414 -3.736 1.00 10.00 N ATOM 256 CA THR A 18 -6.062 23.857 -3.998 1.00 10.00 C ATOM 257 C THR A 18 -7.205 24.334 -4.915 1.00 10.00 C ATOM 258 O THR A 18 -7.656 25.474 -4.798 1.00 10.00 O ATOM 259 CB THR A 18 -4.677 24.291 -4.498 1.00 10.00 C ATOM 260 OG1 THR A 18 -4.489 25.677 -4.309 1.00 10.00 O ATOM 261 CG2 THR A 18 -4.446 23.977 -5.975 1.00 10.00 C ATOM 0 H THR A 18 -5.811 21.866 -4.558 1.00 10.00 H new ATOM 0 HA THR A 18 -6.264 24.357 -3.051 1.00 10.00 H new ATOM 0 HB THR A 18 -3.960 23.718 -3.909 1.00 10.00 H new ATOM 0 HG1 THR A 18 -3.600 25.934 -4.632 1.00 10.00 H new ATOM 0 HG21 THR A 18 -3.449 24.309 -6.266 1.00 10.00 H new ATOM 0 HG22 THR A 18 -4.533 22.902 -6.136 1.00 10.00 H new ATOM 0 HG23 THR A 18 -5.191 24.496 -6.578 1.00 10.00 H new ATOM 269 N GLY A 19 -7.758 23.464 -5.772 1.00 10.00 N ATOM 270 CA GLY A 19 -8.969 23.766 -6.553 1.00 10.00 C ATOM 271 C GLY A 19 -10.231 23.792 -5.691 1.00 10.00 C ATOM 272 O GLY A 19 -11.067 24.682 -5.839 1.00 10.00 O ATOM 0 H GLY A 19 -7.380 22.532 -5.944 1.00 10.00 H new ATOM 0 HA2 GLY A 19 -8.849 24.731 -7.045 1.00 10.00 H new ATOM 0 HA3 GLY A 19 -9.085 23.020 -7.339 1.00 10.00 H new ATOM 292 N ASP A 21 -10.176 24.728 -2.657 1.00 10.00 N ATOM 293 CA ASP A 21 -10.005 25.966 -1.932 1.00 10.00 C ATOM 294 C ASP A 21 -10.503 27.191 -2.699 1.00 10.00 C ATOM 295 O ASP A 21 -10.875 28.169 -2.062 1.00 10.00 O ATOM 296 CB ASP A 21 -8.576 26.039 -1.410 1.00 10.00 C ATOM 297 CG ASP A 21 -8.198 27.406 -0.814 1.00 10.00 C ATOM 298 OD1 ASP A 21 -8.549 27.666 0.362 1.00 10.00 O ATOM 299 OD2 ASP A 21 -7.518 28.205 -1.502 1.00 10.00 O ATOM 0 HA ASP A 21 -10.658 25.976 -1.059 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -8.438 25.271 -0.649 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -7.890 25.807 -2.225 1.00 10.00 H new ATOM 304 N ASN A 22 -10.642 27.140 -4.027 1.00 10.00 N ATOM 305 CA ASN A 22 -11.340 28.186 -4.767 1.00 10.00 C ATOM 306 C ASN A 22 -12.850 28.157 -4.494 1.00 10.00 C ATOM 307 O ASN A 22 -13.538 29.174 -4.630 1.00 10.00 O ATOM 308 CB ASN A 22 -11.160 27.987 -6.277 1.00 10.00 C ATOM 309 CG ASN A 22 -9.734 28.172 -6.771 1.00 10.00 C ATOM 310 OD1 ASN A 22 -8.967 28.987 -6.277 1.00 10.00 O ATOM 311 ND2 ASN A 22 -9.338 27.436 -7.785 1.00 10.00 N ATOM 0 H ASN A 22 -10.279 26.384 -4.608 1.00 10.00 H new ATOM 0 HA ASN A 22 -10.915 29.134 -4.439 1.00 10.00 H new ATOM 0 HB2 ASN A 22 -11.496 26.984 -6.541 1.00 10.00 H new ATOM 0 HB3 ASN A 22 -11.807 28.689 -6.803 1.00 10.00 H new ATOM 0 HD21 ASN A 22 -8.395 27.546 -8.157 1.00 10.00 H new ATOM 0 HD22 ASN A 22 -9.974 26.755 -8.200 1.00 10.00 H new ATOM 318 N LEU A 23 -13.379 26.982 -4.151 1.00 10.00 N ATOM 319 CA LEU A 23 -14.724 26.815 -3.654 1.00 10.00 C ATOM 320 C LEU A 23 -14.839 27.138 -2.158 1.00 10.00 C ATOM 321 O LEU A 23 -15.713 27.901 -1.765 1.00 10.00 O ATOM 322 CB LEU A 23 -15.277 25.449 -4.086 1.00 10.00 C ATOM 323 CG LEU A 23 -16.639 25.609 -4.793 1.00 10.00 C ATOM 324 CD1 LEU A 23 -17.645 26.316 -3.905 1.00 10.00 C ATOM 325 CD2 LEU A 23 -16.794 26.318 -6.135 1.00 10.00 C ATOM 0 H LEU A 23 -12.862 26.105 -4.217 1.00 10.00 H new ATOM 0 HA LEU A 23 -15.378 27.556 -4.113 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -14.569 24.960 -4.756 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -15.388 24.804 -3.214 1.00 10.00 H new ATOM 0 HG LEU A 23 -16.790 24.550 -5.003 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -18.593 26.412 -4.434 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -17.795 25.738 -2.993 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -17.271 27.307 -3.649 1.00 10.00 H new ATOM 0 HD21 LEU A 23 -17.842 26.307 -6.434 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -16.454 27.350 -6.043 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -16.197 25.805 -6.889 1.00 10.00 H new ATOM 337 N GLN A 24 -13.904 26.654 -1.337 1.00 10.00 N ATOM 338 CA GLN A 24 -13.788 26.939 0.092 1.00 10.00 C ATOM 339 C GLN A 24 -13.683 28.436 0.370 1.00 10.00 C ATOM 340 O GLN A 24 -14.400 28.935 1.223 1.00 10.00 O ATOM 341 CB GLN A 24 -12.554 26.245 0.676 1.00 10.00 C ATOM 342 CG GLN A 24 -12.567 26.142 2.197 1.00 10.00 C ATOM 343 CD GLN A 24 -13.642 25.209 2.754 1.00 10.00 C ATOM 344 OE1 GLN A 24 -13.760 24.048 2.383 1.00 10.00 O ATOM 345 NE2 GLN A 24 -14.467 25.677 3.667 1.00 10.00 N ATOM 0 H GLN A 24 -13.174 26.023 -1.668 1.00 10.00 H new ATOM 0 HA GLN A 24 -14.694 26.560 0.564 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -12.479 25.243 0.254 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -11.662 26.789 0.366 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -11.590 25.795 2.535 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -12.714 27.138 2.616 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -14.381 26.642 3.986 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -15.192 25.074 4.056 1.00 10.00 H new ATOM 354 N THR A 25 -12.821 29.162 -0.344 1.00 10.00 N ATOM 355 CA THR A 25 -12.657 30.611 -0.217 1.00 10.00 C ATOM 356 C THR A 25 -13.989 31.305 -0.453 1.00 10.00 C ATOM 357 O THR A 25 -14.450 32.093 0.364 1.00 10.00 O ATOM 358 CB THR A 25 -11.525 31.111 -1.129 1.00 10.00 C ATOM 359 OG1 THR A 25 -11.090 32.386 -0.707 1.00 10.00 O ATOM 360 CG2 THR A 25 -11.835 31.177 -2.619 1.00 10.00 C ATOM 0 H THR A 25 -12.203 28.749 -1.043 1.00 10.00 H new ATOM 0 HA THR A 25 -12.351 30.864 0.798 1.00 10.00 H new ATOM 0 HB THR A 25 -10.751 30.350 -1.024 1.00 10.00 H new ATOM 0 HG1 THR A 25 -10.368 32.696 -1.293 1.00 10.00 H new ATOM 0 HG21 THR A 25 -10.961 31.544 -3.157 1.00 10.00 H new ATOM 0 HG22 THR A 25 -12.093 30.182 -2.981 1.00 10.00 H new ATOM 0 HG23 THR A 25 -12.674 31.853 -2.787 1.00 10.00 H new ATOM 368 N GLN A 26 -14.698 30.868 -1.489 1.00 10.00 N ATOM 369 CA GLN A 26 -16.060 31.278 -1.808 1.00 10.00 C ATOM 370 C GLN A 26 -17.085 31.001 -0.697 1.00 10.00 C ATOM 371 O GLN A 26 -17.794 31.923 -0.289 1.00 10.00 O ATOM 372 CB GLN A 26 -16.468 30.618 -3.138 1.00 10.00 C ATOM 373 CG GLN A 26 -16.587 31.648 -4.265 1.00 10.00 C ATOM 374 CD GLN A 26 -16.801 30.988 -5.623 1.00 10.00 C ATOM 375 OE1 GLN A 26 -17.863 31.087 -6.223 1.00 10.00 O ATOM 376 NE2 GLN A 26 -15.834 30.264 -6.145 1.00 10.00 N ATOM 0 H GLN A 26 -14.324 30.192 -2.155 1.00 10.00 H new ATOM 0 HA GLN A 26 -16.063 32.364 -1.903 1.00 10.00 H new ATOM 0 HB2 GLN A 26 -15.731 29.863 -3.411 1.00 10.00 H new ATOM 0 HB3 GLN A 26 -17.421 30.103 -3.012 1.00 10.00 H new ATOM 0 HG2 GLN A 26 -17.418 32.321 -4.054 1.00 10.00 H new ATOM 0 HG3 GLN A 26 -15.683 32.257 -4.296 1.00 10.00 H new ATOM 0 HE21 GLN A 26 -14.944 30.173 -5.655 1.00 10.00 H new ATOM 0 HE22 GLN A 26 -15.975 29.794 -7.039 1.00 10.00 H new ATOM 385 N VAL A 27 -17.171 29.773 -0.171 1.00 10.00 N ATOM 386 CA VAL A 27 -18.089 29.462 0.934 1.00 10.00 C ATOM 387 C VAL A 27 -17.718 30.238 2.187 1.00 10.00 C ATOM 388 O VAL A 27 -18.578 30.701 2.926 1.00 10.00 O ATOM 389 CB VAL A 27 -18.221 27.968 1.297 1.00 10.00 C ATOM 390 CG1 VAL A 27 -18.094 27.036 0.093 1.00 10.00 C ATOM 391 CG2 VAL A 27 -17.304 27.397 2.384 1.00 10.00 C ATOM 0 H VAL A 27 -16.617 28.979 -0.492 1.00 10.00 H new ATOM 0 HA VAL A 27 -19.063 29.768 0.551 1.00 10.00 H new ATOM 0 HB VAL A 27 -19.230 27.987 1.710 1.00 10.00 H new ATOM 0 HG11 VAL A 27 -18.197 26.002 0.421 1.00 10.00 H new ATOM 0 HG12 VAL A 27 -18.877 27.267 -0.630 1.00 10.00 H new ATOM 0 HG13 VAL A 27 -17.118 27.174 -0.372 1.00 10.00 H new ATOM 0 HG21 VAL A 27 -17.519 26.337 2.522 1.00 10.00 H new ATOM 0 HG22 VAL A 27 -16.263 27.520 2.084 1.00 10.00 H new ATOM 0 HG23 VAL A 27 -17.476 27.927 3.321 1.00 10.00 H new ATOM 401 N THR A 28 -16.422 30.399 2.425 1.00 10.00 N ATOM 402 CA THR A 28 -15.894 31.126 3.563 1.00 10.00 C ATOM 403 C THR A 28 -16.152 32.611 3.441 1.00 10.00 C ATOM 404 O THR A 28 -16.256 33.294 4.445 1.00 10.00 O ATOM 405 CB THR A 28 -14.392 30.964 3.723 1.00 10.00 C ATOM 406 OG1 THR A 28 -14.004 29.608 3.754 1.00 10.00 O ATOM 407 CG2 THR A 28 -13.942 31.580 5.030 1.00 10.00 C ATOM 0 H THR A 28 -15.697 30.018 1.817 1.00 10.00 H new ATOM 0 HA THR A 28 -16.409 30.702 4.425 1.00 10.00 H new ATOM 0 HB THR A 28 -13.934 31.456 2.865 1.00 10.00 H new ATOM 0 HG1 THR A 28 -13.826 29.298 2.842 1.00 10.00 H new ATOM 0 HG21 THR A 28 -12.864 31.460 5.137 1.00 10.00 H new ATOM 0 HG22 THR A 28 -14.191 32.641 5.037 1.00 10.00 H new ATOM 0 HG23 THR A 28 -14.447 31.084 5.859 1.00 10.00 H new ATOM 415 N GLU A 29 -16.259 33.154 2.238 1.00 10.00 N ATOM 416 CA GLU A 29 -16.624 34.541 2.079 1.00 10.00 C ATOM 417 C GLU A 29 -18.144 34.733 2.237 1.00 10.00 C ATOM 418 O GLU A 29 -18.587 35.773 2.712 1.00 10.00 O ATOM 419 CB GLU A 29 -16.073 35.101 0.787 1.00 10.00 C ATOM 420 CG GLU A 29 -14.556 35.306 0.886 1.00 10.00 C ATOM 421 CD GLU A 29 -13.995 35.997 -0.373 1.00 10.00 C ATOM 422 OE1 GLU A 29 -14.043 35.407 -1.480 1.00 10.00 O ATOM 423 OE2 GLU A 29 -13.504 37.149 -0.266 1.00 10.00 O ATOM 0 H GLU A 29 -16.098 32.652 1.365 1.00 10.00 H new ATOM 0 HA GLU A 29 -16.164 35.122 2.878 1.00 10.00 H new ATOM 0 HB2 GLU A 29 -16.300 34.422 -0.035 1.00 10.00 H new ATOM 0 HB3 GLU A 29 -16.559 36.050 0.560 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -14.326 35.908 1.765 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -14.066 34.342 1.022 1.00 10.00 H new ATOM 430 N ALA A 30 -18.966 33.731 1.904 1.00 10.00 N ATOM 431 CA ALA A 30 -20.382 33.721 2.261 1.00 10.00 C ATOM 432 C ALA A 30 -20.524 33.663 3.789 1.00 10.00 C ATOM 433 O ALA A 30 -21.349 34.344 4.394 1.00 10.00 O ATOM 434 CB ALA A 30 -21.061 32.516 1.620 1.00 10.00 C ATOM 0 H ALA A 30 -18.666 32.908 1.381 1.00 10.00 H new ATOM 0 HA ALA A 30 -20.860 34.630 1.896 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -22.118 32.509 1.887 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -20.961 32.576 0.536 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -20.591 31.600 1.978 1.00 10.00 H new ATOM 440 N LEU A 31 -19.647 32.888 4.417 1.00 10.00 N ATOM 441 CA LEU A 31 -19.445 32.832 5.844 1.00 10.00 C ATOM 442 C LEU A 31 -18.818 34.108 6.418 1.00 10.00 C ATOM 443 O LEU A 31 -19.123 34.453 7.543 1.00 10.00 O ATOM 444 CB LEU A 31 -18.558 31.633 6.138 1.00 10.00 C ATOM 445 CG LEU A 31 -18.438 31.336 7.627 1.00 10.00 C ATOM 446 CD1 LEU A 31 -19.640 30.529 8.099 1.00 10.00 C ATOM 447 CD2 LEU A 31 -17.124 30.605 7.820 1.00 10.00 C ATOM 0 H LEU A 31 -19.030 32.253 3.911 1.00 10.00 H new ATOM 0 HA LEU A 31 -20.418 32.738 6.325 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -18.960 30.757 5.629 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -17.565 31.813 5.727 1.00 10.00 H new ATOM 0 HG LEU A 31 -18.436 32.245 8.228 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -19.544 30.322 9.165 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -20.553 31.098 7.921 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -19.685 29.589 7.550 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -16.991 30.369 8.876 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -17.132 29.682 7.240 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -16.303 31.238 7.483 1.00 10.00 H new ATOM 459 N ASP A 32 -17.994 34.860 5.693 1.00 10.00 N ATOM 460 CA ASP A 32 -17.519 36.176 6.119 1.00 10.00 C ATOM 461 C ASP A 32 -18.727 37.098 6.356 1.00 10.00 C ATOM 462 O ASP A 32 -18.728 37.905 7.287 1.00 10.00 O ATOM 463 CB ASP A 32 -16.494 36.736 5.112 1.00 10.00 C ATOM 464 CG ASP A 32 -16.134 38.203 5.393 1.00 10.00 C ATOM 465 OD1 ASP A 32 -15.348 38.467 6.334 1.00 10.00 O ATOM 466 OD2 ASP A 32 -16.618 39.091 4.648 1.00 10.00 O ATOM 0 H ASP A 32 -17.633 34.571 4.784 1.00 10.00 H new ATOM 0 HA ASP A 32 -16.985 36.101 7.066 1.00 10.00 H new ATOM 0 HB2 ASP A 32 -15.588 36.130 5.145 1.00 10.00 H new ATOM 0 HB3 ASP A 32 -16.897 36.651 4.103 1.00 10.00 H new ATOM 471 N LYS A 33 -19.809 36.883 5.590 1.00 10.00 N ATOM 472 CA LYS A 33 -21.107 37.490 5.802 1.00 10.00 C ATOM 473 C LYS A 33 -21.849 36.834 6.971 1.00 10.00 C ATOM 474 O LYS A 33 -22.449 37.516 7.797 1.00 10.00 O ATOM 475 CB LYS A 33 -21.954 37.500 4.528 1.00 10.00 C ATOM 476 CG LYS A 33 -21.303 37.593 3.144 1.00 10.00 C ATOM 477 CD LYS A 33 -20.094 38.523 3.015 1.00 10.00 C ATOM 478 CE LYS A 33 -19.709 38.669 1.546 1.00 10.00 C ATOM 479 NZ LYS A 33 -18.524 39.553 1.392 1.00 10.00 N ATOM 0 H LYS A 33 -19.790 36.259 4.783 1.00 10.00 H new ATOM 0 HA LYS A 33 -20.931 38.532 6.070 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -22.554 36.590 4.537 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -22.645 38.338 4.612 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -20.995 36.591 2.845 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -22.061 37.920 2.432 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -20.328 39.500 3.438 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -19.254 38.123 3.583 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -19.493 37.688 1.124 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -20.549 39.079 0.985 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -18.282 39.636 0.384 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -18.742 40.495 1.775 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -17.718 39.147 1.909 1.00 10.00 H new ATOM 493 N LEU A 34 -21.844 35.501 7.053 1.00 10.00 N ATOM 494 CA LEU A 34 -22.597 34.746 8.067 1.00 10.00 C ATOM 495 C LEU A 34 -21.968 34.881 9.463 1.00 10.00 C ATOM 496 O LEU A 34 -22.590 34.638 10.484 1.00 10.00 O ATOM 497 CB LEU A 34 -22.786 33.298 7.613 1.00 10.00 C ATOM 498 CG LEU A 34 -24.220 32.758 7.791 1.00 10.00 C ATOM 499 CD1 LEU A 34 -24.353 31.503 6.991 1.00 10.00 C ATOM 500 CD2 LEU A 34 -24.732 32.318 9.146 1.00 10.00 C ATOM 0 H LEU A 34 -21.314 34.908 6.414 1.00 10.00 H new ATOM 0 HA LEU A 34 -23.593 35.178 8.164 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -22.509 33.220 6.562 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -22.099 32.662 8.171 1.00 10.00 H new ATOM 0 HG LEU A 34 -24.791 33.644 7.514 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -25.361 31.105 7.104 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -24.164 31.720 5.940 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -23.631 30.767 7.345 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -25.762 31.973 9.051 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -24.110 31.506 9.524 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -24.693 33.158 9.840 1.00 10.00 H new ATOM 512 N ALA A 35 -20.704 35.264 9.524 1.00 10.00 N ATOM 513 CA ALA A 35 -19.997 35.662 10.720 1.00 10.00 C ATOM 514 C ALA A 35 -20.312 37.155 11.070 1.00 10.00 C ATOM 515 O ALA A 35 -20.199 37.554 12.232 1.00 10.00 O ATOM 516 CB ALA A 35 -18.516 35.323 10.477 1.00 10.00 C ATOM 0 H ALA A 35 -20.115 35.306 8.692 1.00 10.00 H new ATOM 0 HA ALA A 35 -20.316 35.125 11.613 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -17.930 35.603 11.352 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -18.412 34.253 10.299 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -18.155 35.872 9.608 1.00 10.00 H new ATOM 522 N ALA A 36 -20.727 37.973 10.080 1.00 10.00 N ATOM 523 CA ALA A 36 -21.122 39.394 10.186 1.00 10.00 C ATOM 524 C ALA A 36 -22.564 39.666 10.685 1.00 10.00 C ATOM 525 O ALA A 36 -22.760 40.439 11.628 1.00 10.00 O ATOM 526 CB ALA A 36 -20.875 40.090 8.830 1.00 10.00 C ATOM 0 H ALA A 36 -20.800 37.636 9.120 1.00 10.00 H new ATOM 0 HA ALA A 36 -20.493 39.813 10.971 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -21.164 41.139 8.901 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -19.818 40.022 8.573 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -21.468 39.602 8.057 1.00 10.00 H new ATOM 532 N LYS A 37 -23.571 39.039 10.059 1.00 10.00 N ATOM 533 CA LYS A 37 -25.030 39.209 10.303 1.00 10.00 C ATOM 534 C LYS A 37 -25.744 37.839 10.230 1.00 10.00 C ATOM 535 O LYS A 37 -26.778 37.695 9.580 1.00 10.00 O ATOM 536 CB LYS A 37 -25.553 40.116 9.186 1.00 10.00 C ATOM 537 CG LYS A 37 -26.885 40.808 9.463 1.00 10.00 C ATOM 538 CD LYS A 37 -27.399 41.377 8.137 1.00 10.00 C ATOM 539 CE LYS A 37 -28.750 42.043 8.392 1.00 10.00 C ATOM 540 NZ LYS A 37 -29.453 42.377 7.128 1.00 10.00 N ATOM 0 H LYS A 37 -23.389 38.357 9.323 1.00 10.00 H new ATOM 0 HA LYS A 37 -25.215 39.636 11.289 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -24.803 40.880 8.983 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -25.656 39.521 8.278 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -27.603 40.102 9.880 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -26.757 41.604 10.197 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -26.690 42.100 7.734 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -27.501 40.583 7.397 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -29.374 41.379 8.990 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -28.602 42.952 8.975 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -30.307 42.931 7.342 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -28.822 42.934 6.517 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -29.723 41.500 6.639 1.00 10.00 H new ATOM 554 N PRO A 38 -25.211 36.815 10.901 1.00 10.00 N ATOM 555 CA PRO A 38 -25.552 35.418 10.721 1.00 10.00 C ATOM 556 C PRO A 38 -26.800 34.935 9.998 1.00 10.00 C ATOM 557 O PRO A 38 -26.741 34.696 8.795 1.00 10.00 O ATOM 558 CB PRO A 38 -25.168 34.660 11.986 1.00 10.00 C ATOM 559 CG PRO A 38 -24.394 35.670 12.840 1.00 10.00 C ATOM 560 CD PRO A 38 -24.262 36.935 11.990 1.00 10.00 C ATOM 0 HA PRO A 38 -24.949 35.148 9.854 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -26.051 34.296 12.510 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -24.555 33.790 11.753 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -24.923 35.879 13.770 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -23.413 35.279 13.112 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -24.470 37.824 12.586 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -23.247 37.038 11.607 1.00 10.00 H new ATOM 568 N SER A 39 -27.913 34.719 10.686 1.00 10.00 N ATOM 569 CA SER A 39 -29.062 34.051 10.096 1.00 10.00 C ATOM 570 C SER A 39 -29.858 34.925 9.120 1.00 10.00 C ATOM 571 O SER A 39 -30.946 34.521 8.708 1.00 10.00 O ATOM 572 CB SER A 39 -29.890 33.345 11.160 1.00 10.00 C ATOM 573 OG SER A 39 -30.419 34.261 12.109 1.00 10.00 O ATOM 0 H SER A 39 -28.043 34.999 11.658 1.00 10.00 H new ATOM 0 HA SER A 39 -28.682 33.264 9.445 1.00 10.00 H new ATOM 0 HB2 SER A 39 -30.707 32.802 10.684 1.00 10.00 H new ATOM 0 HB3 SER A 39 -29.272 32.607 11.672 1.00 10.00 H new ATOM 0 HG SER A 39 -30.946 33.773 12.776 1.00 10.00 H new ATOM 579 N ASP A 40 -29.332 36.108 8.757 1.00 10.00 N ATOM 580 CA ASP A 40 -29.813 36.944 7.649 1.00 10.00 C ATOM 581 C ASP A 40 -29.957 36.009 6.441 1.00 10.00 C ATOM 582 O ASP A 40 -28.954 35.553 5.898 1.00 10.00 O ATOM 583 CB ASP A 40 -28.865 38.116 7.358 1.00 10.00 C ATOM 584 CG ASP A 40 -29.285 38.860 6.081 1.00 10.00 C ATOM 585 OD1 ASP A 40 -28.848 38.480 4.972 1.00 10.00 O ATOM 586 OD2 ASP A 40 -30.064 39.836 6.195 1.00 10.00 O ATOM 0 H ASP A 40 -28.535 36.519 9.244 1.00 10.00 H new ATOM 0 HA ASP A 40 -30.767 37.409 7.898 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -28.865 38.806 8.202 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -27.846 37.745 7.249 1.00 10.00 H new ATOM 591 N PRO A 41 -31.172 35.659 6.014 1.00 10.00 N ATOM 592 CA PRO A 41 -31.328 34.578 5.055 1.00 10.00 C ATOM 593 C PRO A 41 -30.787 34.879 3.667 1.00 10.00 C ATOM 594 O PRO A 41 -30.431 33.951 2.949 1.00 10.00 O ATOM 595 CB PRO A 41 -32.822 34.301 5.029 1.00 10.00 C ATOM 596 CG PRO A 41 -33.449 35.644 5.417 1.00 10.00 C ATOM 597 CD PRO A 41 -32.453 36.216 6.413 1.00 10.00 C ATOM 0 HA PRO A 41 -30.737 33.715 5.362 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -33.152 33.976 4.042 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -33.095 33.514 5.732 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -33.573 36.296 4.552 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -34.435 35.514 5.863 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -32.439 37.305 6.378 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -32.707 35.933 7.434 1.00 10.00 H new ATOM 605 N ALA A 42 -30.680 36.145 3.277 1.00 10.00 N ATOM 606 CA ALA A 42 -30.110 36.518 2.001 1.00 10.00 C ATOM 607 C ALA A 42 -28.610 36.151 1.908 1.00 10.00 C ATOM 608 O ALA A 42 -28.184 35.581 0.899 1.00 10.00 O ATOM 609 CB ALA A 42 -30.429 37.996 1.795 1.00 10.00 C ATOM 0 H ALA A 42 -30.988 36.937 3.842 1.00 10.00 H new ATOM 0 HA ALA A 42 -30.548 35.952 1.179 1.00 10.00 H new ATOM 0 HB1 ALA A 42 -30.018 38.327 0.841 1.00 10.00 H new ATOM 0 HB2 ALA A 42 -31.510 38.138 1.794 1.00 10.00 H new ATOM 0 HB3 ALA A 42 -29.987 38.580 2.603 1.00 10.00 H new ATOM 615 N LEU A 43 -27.818 36.392 2.965 1.00 10.00 N ATOM 616 CA LEU A 43 -26.434 35.919 3.073 1.00 10.00 C ATOM 617 C LEU A 43 -26.302 34.443 3.513 1.00 10.00 C ATOM 618 O LEU A 43 -25.499 33.712 2.935 1.00 10.00 O ATOM 619 CB LEU A 43 -25.637 36.914 3.939 1.00 10.00 C ATOM 620 CG LEU A 43 -25.852 36.812 5.446 1.00 10.00 C ATOM 621 CD1 LEU A 43 -24.947 35.786 6.067 1.00 10.00 C ATOM 622 CD2 LEU A 43 -25.406 38.045 6.210 1.00 10.00 C ATOM 0 H LEU A 43 -28.127 36.927 3.776 1.00 10.00 H new ATOM 0 HA LEU A 43 -25.994 35.902 2.076 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -24.576 36.775 3.733 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -25.893 37.925 3.623 1.00 10.00 H new ATOM 0 HG LEU A 43 -26.921 36.610 5.519 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -25.129 35.742 7.141 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -25.146 34.810 5.625 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -23.908 36.061 5.886 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -25.590 37.900 7.275 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -24.341 38.210 6.045 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -25.966 38.912 5.860 1.00 10.00 H new ATOM 634 N LEU A 44 -27.066 33.974 4.511 1.00 10.00 N ATOM 635 CA LEU A 44 -27.011 32.585 5.005 1.00 10.00 C ATOM 636 C LEU A 44 -27.444 31.629 3.901 1.00 10.00 C ATOM 637 O LEU A 44 -26.873 30.548 3.782 1.00 10.00 O ATOM 638 CB LEU A 44 -27.793 32.456 6.341 1.00 10.00 C ATOM 639 CG LEU A 44 -28.663 31.230 6.682 1.00 10.00 C ATOM 640 CD1 LEU A 44 -29.719 30.800 5.660 1.00 10.00 C ATOM 641 CD2 LEU A 44 -27.831 29.998 6.952 1.00 10.00 C ATOM 0 H LEU A 44 -27.747 34.552 5.004 1.00 10.00 H new ATOM 0 HA LEU A 44 -25.989 32.299 5.252 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -27.059 32.548 7.141 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -28.445 33.327 6.405 1.00 10.00 H new ATOM 0 HG LEU A 44 -29.189 31.602 7.561 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -30.253 29.926 6.034 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -30.424 31.616 5.501 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -29.233 30.552 4.717 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -28.487 29.160 7.188 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -27.239 29.758 6.069 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -27.166 30.186 7.795 1.00 10.00 H new ATOM 653 N ALA A 45 -28.396 31.997 3.038 1.00 10.00 N ATOM 654 CA ALA A 45 -28.771 31.095 1.973 1.00 10.00 C ATOM 655 C ALA A 45 -27.739 31.088 0.834 1.00 10.00 C ATOM 656 O ALA A 45 -27.568 30.065 0.174 1.00 10.00 O ATOM 657 CB ALA A 45 -30.197 31.344 1.476 1.00 10.00 C ATOM 0 H ALA A 45 -28.899 32.884 3.061 1.00 10.00 H new ATOM 0 HA ALA A 45 -28.770 30.090 2.395 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -30.431 30.641 0.676 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -30.899 31.205 2.299 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -30.278 32.363 1.099 1.00 10.00 H new ATOM 663 N ALA A 46 -26.999 32.182 0.629 1.00 10.00 N ATOM 664 CA ALA A 46 -25.849 32.196 -0.261 1.00 10.00 C ATOM 665 C ALA A 46 -24.696 31.345 0.303 1.00 10.00 C ATOM 666 O ALA A 46 -24.018 30.642 -0.443 1.00 10.00 O ATOM 667 CB ALA A 46 -25.396 33.633 -0.505 1.00 10.00 C ATOM 0 H ALA A 46 -27.186 33.079 1.078 1.00 10.00 H new ATOM 0 HA ALA A 46 -26.145 31.755 -1.213 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -24.534 33.634 -1.173 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -26.209 34.198 -0.961 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -25.121 34.094 0.444 1.00 10.00 H new ATOM 673 N TYR A 47 -24.512 31.327 1.625 1.00 10.00 N ATOM 674 CA TYR A 47 -23.601 30.423 2.308 1.00 10.00 C ATOM 675 C TYR A 47 -23.979 28.985 2.091 1.00 10.00 C ATOM 676 O TYR A 47 -23.165 28.209 1.606 1.00 10.00 O ATOM 677 CB TYR A 47 -23.604 30.703 3.799 1.00 10.00 C ATOM 678 CG TYR A 47 -22.754 29.732 4.610 1.00 10.00 C ATOM 679 CD1 TYR A 47 -21.362 29.667 4.428 1.00 10.00 C ATOM 680 CD2 TYR A 47 -23.385 28.794 5.456 1.00 10.00 C ATOM 681 CE1 TYR A 47 -20.602 28.670 5.070 1.00 10.00 C ATOM 682 CE2 TYR A 47 -22.626 27.819 6.130 1.00 10.00 C ATOM 683 CZ TYR A 47 -21.232 27.746 5.931 1.00 10.00 C ATOM 684 OH TYR A 47 -20.508 26.780 6.561 1.00 10.00 O ATOM 0 H TYR A 47 -25.005 31.956 2.259 1.00 10.00 H new ATOM 0 HA TYR A 47 -22.608 30.593 1.892 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -23.242 31.717 3.969 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -24.630 30.665 4.164 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -20.871 30.387 3.791 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -24.457 28.825 5.587 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -19.536 28.613 4.903 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -23.112 27.126 6.801 1.00 10.00 H new ATOM 0 HH TYR A 47 -21.104 26.234 7.115 1.00 10.00 H new ATOM 694 N GLN A 48 -25.224 28.647 2.415 1.00 10.00 N ATOM 695 CA GLN A 48 -25.689 27.277 2.319 1.00 10.00 C ATOM 696 C GLN A 48 -25.718 26.800 0.850 1.00 10.00 C ATOM 697 O GLN A 48 -25.554 25.620 0.548 1.00 10.00 O ATOM 698 CB GLN A 48 -26.959 27.076 3.143 1.00 10.00 C ATOM 699 CG GLN A 48 -28.227 27.555 2.472 1.00 10.00 C ATOM 700 CD GLN A 48 -28.943 26.505 1.620 1.00 10.00 C ATOM 701 OE1 GLN A 48 -29.307 25.427 2.073 1.00 10.00 O ATOM 702 NE2 GLN A 48 -29.181 26.781 0.354 1.00 10.00 N ATOM 0 H GLN A 48 -25.926 29.308 2.746 1.00 10.00 H new ATOM 0 HA GLN A 48 -24.975 26.597 2.784 1.00 10.00 H new ATOM 0 HB2 GLN A 48 -27.063 26.016 3.373 1.00 10.00 H new ATOM 0 HB3 GLN A 48 -26.847 27.598 4.093 1.00 10.00 H new ATOM 0 HG2 GLN A 48 -28.915 27.909 3.240 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -27.986 28.410 1.841 1.00 10.00 H new ATOM 0 HE21 GLN A 48 -28.884 27.675 -0.038 1.00 10.00 H new ATOM 0 HE22 GLN A 48 -29.662 26.101 -0.234 1.00 10.00 H new ATOM 711 N SER A 49 -25.837 27.755 -0.080 1.00 10.00 N ATOM 712 CA SER A 49 -25.655 27.540 -1.513 1.00 10.00 C ATOM 713 C SER A 49 -24.209 27.189 -1.836 1.00 10.00 C ATOM 714 O SER A 49 -23.950 26.193 -2.501 1.00 10.00 O ATOM 715 CB SER A 49 -26.019 28.783 -2.356 1.00 10.00 C ATOM 716 OG SER A 49 -27.414 29.022 -2.316 1.00 10.00 O ATOM 0 H SER A 49 -26.068 28.721 0.153 1.00 10.00 H new ATOM 0 HA SER A 49 -26.326 26.719 -1.767 1.00 10.00 H new ATOM 0 HB2 SER A 49 -25.484 29.654 -1.978 1.00 10.00 H new ATOM 0 HB3 SER A 49 -25.699 28.636 -3.388 1.00 10.00 H new ATOM 0 HG SER A 49 -27.669 29.322 -1.419 1.00 10.00 H new ATOM 722 N LYS A 50 -23.250 27.977 -1.345 1.00 10.00 N ATOM 723 CA LYS A 50 -21.818 27.794 -1.590 1.00 10.00 C ATOM 724 C LYS A 50 -21.265 26.523 -0.947 1.00 10.00 C ATOM 725 O LYS A 50 -20.483 25.817 -1.566 1.00 10.00 O ATOM 726 CB LYS A 50 -21.078 29.074 -1.164 1.00 10.00 C ATOM 727 CG LYS A 50 -21.444 30.245 -2.093 1.00 10.00 C ATOM 728 CD LYS A 50 -20.317 30.612 -3.045 1.00 10.00 C ATOM 729 CE LYS A 50 -19.943 29.489 -4.018 1.00 10.00 C ATOM 730 NZ LYS A 50 -20.270 29.843 -5.427 1.00 10.00 N ATOM 0 H LYS A 50 -23.453 28.781 -0.751 1.00 10.00 H new ATOM 0 HA LYS A 50 -21.651 27.640 -2.656 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -21.336 29.325 -0.135 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -20.002 28.904 -1.190 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -22.331 29.982 -2.670 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -21.703 31.115 -1.490 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -20.608 31.494 -3.616 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -19.436 30.885 -2.464 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -18.877 29.277 -3.935 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -20.472 28.577 -3.741 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -20.211 28.992 -6.021 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -21.234 30.231 -5.473 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -19.594 30.554 -5.772 1.00 10.00 H new ATOM 744 N LEU A 51 -21.747 26.189 0.241 1.00 10.00 N ATOM 745 CA LEU A 51 -21.584 24.943 0.993 1.00 10.00 C ATOM 746 C LEU A 51 -21.990 23.737 0.133 1.00 10.00 C ATOM 747 O LEU A 51 -21.313 22.709 0.141 1.00 10.00 O ATOM 748 CB LEU A 51 -22.439 25.195 2.261 1.00 10.00 C ATOM 749 CG LEU A 51 -23.061 24.096 3.144 1.00 10.00 C ATOM 750 CD1 LEU A 51 -23.905 24.807 4.220 1.00 10.00 C ATOM 751 CD2 LEU A 51 -24.027 23.149 2.424 1.00 10.00 C ATOM 0 H LEU A 51 -22.323 26.851 0.761 1.00 10.00 H new ATOM 0 HA LEU A 51 -20.562 24.691 1.275 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -21.818 25.796 2.925 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -23.268 25.826 1.942 1.00 10.00 H new ATOM 0 HG LEU A 51 -22.229 23.498 3.515 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -24.366 24.064 4.871 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -23.264 25.460 4.812 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -24.683 25.401 3.739 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -24.410 22.413 3.131 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -24.857 23.721 2.011 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -23.502 22.638 1.617 1.00 10.00 H new ATOM 763 N SER A 52 -23.038 23.886 -0.678 1.00 10.00 N ATOM 764 CA SER A 52 -23.424 22.907 -1.684 1.00 10.00 C ATOM 765 C SER A 52 -22.580 22.987 -2.951 1.00 10.00 C ATOM 766 O SER A 52 -22.171 21.950 -3.462 1.00 10.00 O ATOM 767 CB SER A 52 -24.888 23.048 -2.077 1.00 10.00 C ATOM 768 OG SER A 52 -25.759 23.013 -0.955 1.00 10.00 O ATOM 0 H SER A 52 -23.648 24.703 -0.651 1.00 10.00 H new ATOM 0 HA SER A 52 -23.255 21.939 -1.212 1.00 10.00 H new ATOM 0 HB2 SER A 52 -25.028 23.987 -2.612 1.00 10.00 H new ATOM 0 HB3 SER A 52 -25.155 22.246 -2.765 1.00 10.00 H new ATOM 0 HG SER A 52 -25.705 23.864 -0.473 1.00 10.00 H new ATOM 774 N GLU A 53 -22.253 24.182 -3.449 1.00 10.00 N ATOM 775 CA GLU A 53 -21.389 24.363 -4.611 1.00 10.00 C ATOM 776 C GLU A 53 -20.007 23.731 -4.406 1.00 10.00 C ATOM 777 O GLU A 53 -19.382 23.252 -5.344 1.00 10.00 O ATOM 778 CB GLU A 53 -21.115 25.814 -4.962 1.00 10.00 C ATOM 779 CG GLU A 53 -22.137 26.761 -5.552 1.00 10.00 C ATOM 780 CD GLU A 53 -22.897 26.186 -6.762 1.00 10.00 C ATOM 781 OE1 GLU A 53 -22.261 25.931 -7.813 1.00 10.00 O ATOM 782 OE2 GLU A 53 -24.137 26.018 -6.680 1.00 10.00 O ATOM 0 H GLU A 53 -22.586 25.059 -3.050 1.00 10.00 H new ATOM 0 HA GLU A 53 -21.950 23.882 -5.412 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -20.761 26.285 -4.045 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -20.276 25.803 -5.658 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -22.856 27.031 -4.779 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -21.634 27.680 -5.855 1.00 10.00 H new ATOM 789 N TYR A 54 -19.502 23.757 -3.176 1.00 10.00 N ATOM 790 CA TYR A 54 -18.237 23.152 -2.797 1.00 10.00 C ATOM 791 C TYR A 54 -18.325 21.622 -2.869 1.00 10.00 C ATOM 792 O TYR A 54 -17.413 20.967 -3.376 1.00 10.00 O ATOM 793 CB TYR A 54 -17.784 23.733 -1.448 1.00 10.00 C ATOM 794 CG TYR A 54 -17.206 22.736 -0.501 1.00 10.00 C ATOM 795 CD1 TYR A 54 -15.920 22.247 -0.753 1.00 10.00 C ATOM 796 CD2 TYR A 54 -17.957 22.276 0.588 1.00 10.00 C ATOM 797 CE1 TYR A 54 -15.379 21.269 0.086 1.00 10.00 C ATOM 798 CE2 TYR A 54 -17.422 21.295 1.431 1.00 10.00 C ATOM 799 CZ TYR A 54 -16.125 20.783 1.188 1.00 10.00 C ATOM 800 OH TYR A 54 -15.610 19.825 2.007 1.00 10.00 O ATOM 0 H TYR A 54 -19.977 24.213 -2.397 1.00 10.00 H new ATOM 0 HA TYR A 54 -17.449 23.404 -3.506 1.00 10.00 H new ATOM 0 HB2 TYR A 54 -17.042 24.510 -1.633 1.00 10.00 H new ATOM 0 HB3 TYR A 54 -18.637 24.215 -0.971 1.00 10.00 H new ATOM 0 HD1 TYR A 54 -15.349 22.622 -1.590 1.00 10.00 H new ATOM 0 HD2 TYR A 54 -18.943 22.676 0.776 1.00 10.00 H new ATOM 0 HE1 TYR A 54 -14.389 20.882 -0.106 1.00 10.00 H new ATOM 0 HE2 TYR A 54 -17.999 20.929 2.267 1.00 10.00 H new ATOM 0 HH TYR A 54 -16.259 19.613 2.710 1.00 10.00 H new ATOM 843 N TYR A 57 -18.260 21.076 -6.599 1.00 10.00 N ATOM 844 CA TYR A 57 -16.858 21.037 -6.996 1.00 10.00 C ATOM 845 C TYR A 57 -16.342 19.583 -6.826 1.00 10.00 C ATOM 846 O TYR A 57 -15.699 19.004 -7.703 1.00 10.00 O ATOM 847 CB TYR A 57 -16.038 22.116 -6.256 1.00 10.00 C ATOM 848 CG TYR A 57 -14.574 21.744 -6.246 1.00 10.00 C ATOM 849 CD1 TYR A 57 -13.730 22.136 -7.302 1.00 10.00 C ATOM 850 CD2 TYR A 57 -14.147 20.783 -5.317 1.00 10.00 C ATOM 851 CE1 TYR A 57 -12.477 21.514 -7.457 1.00 10.00 C ATOM 852 CE2 TYR A 57 -12.927 20.116 -5.500 1.00 10.00 C ATOM 853 CZ TYR A 57 -12.090 20.479 -6.577 1.00 10.00 C ATOM 854 OH TYR A 57 -10.934 19.806 -6.796 1.00 10.00 O ATOM 0 HA TYR A 57 -16.738 21.295 -8.048 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -16.172 23.082 -6.743 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -16.401 22.221 -5.234 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -14.042 22.909 -7.989 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -14.760 20.556 -4.458 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -11.812 21.828 -8.248 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -12.630 19.330 -4.822 1.00 10.00 H new ATOM 0 HH TYR A 57 -10.384 20.301 -7.438 1.00 10.00 H new ATOM 864 N ARG A 58 -16.729 18.956 -5.707 1.00 10.00 N ATOM 865 CA ARG A 58 -16.489 17.557 -5.340 1.00 10.00 C ATOM 866 C ARG A 58 -17.220 16.557 -6.245 1.00 10.00 C ATOM 867 O ARG A 58 -16.651 15.537 -6.623 1.00 10.00 O ATOM 868 CB ARG A 58 -16.945 17.401 -3.868 1.00 10.00 C ATOM 869 CG ARG A 58 -15.931 16.742 -2.940 1.00 10.00 C ATOM 870 CD ARG A 58 -14.627 17.546 -2.789 1.00 10.00 C ATOM 871 NE ARG A 58 -13.452 16.721 -3.119 1.00 10.00 N ATOM 872 CZ ARG A 58 -12.874 15.804 -2.366 1.00 10.00 C ATOM 873 NH1 ARG A 58 -13.216 15.579 -1.129 1.00 10.00 N ATOM 874 NH2 ARG A 58 -11.928 15.085 -2.884 1.00 10.00 N ATOM 0 H ARG A 58 -17.255 19.449 -4.985 1.00 10.00 H new ATOM 0 HA ARG A 58 -15.431 17.329 -5.465 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -17.187 18.388 -3.473 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -17.864 16.816 -3.849 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -16.383 16.608 -1.957 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -15.694 15.748 -3.320 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -14.657 18.419 -3.442 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -14.540 17.915 -1.767 1.00 10.00 H new ATOM 0 HE ARG A 58 -13.036 16.877 -4.037 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -13.963 16.124 -0.699 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -12.737 14.858 -0.590 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -11.646 15.235 -3.853 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -11.466 14.370 -2.323 1.00 10.00 H new ATOM 888 N ASN A 59 -18.460 16.866 -6.624 1.00 10.00 N ATOM 889 CA ASN A 59 -19.290 16.080 -7.535 1.00 10.00 C ATOM 890 C ASN A 59 -18.703 16.074 -8.951 1.00 10.00 C ATOM 891 O ASN A 59 -18.652 15.044 -9.615 1.00 10.00 O ATOM 892 CB ASN A 59 -20.731 16.626 -7.553 1.00 10.00 C ATOM 893 CG ASN A 59 -21.688 15.656 -8.233 1.00 10.00 C ATOM 894 OD1 ASN A 59 -21.780 14.487 -7.884 1.00 10.00 O ATOM 895 ND2 ASN A 59 -22.427 16.098 -9.226 1.00 10.00 N ATOM 0 H ASN A 59 -18.933 17.706 -6.290 1.00 10.00 H new ATOM 0 HA ASN A 59 -19.308 15.052 -7.174 1.00 10.00 H new ATOM 0 HB2 ASN A 59 -21.064 16.811 -6.532 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -20.752 17.584 -8.073 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -23.073 15.467 -9.701 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -22.355 17.072 -9.521 1.00 10.00 H new ATOM 902 N ALA A 60 -18.196 17.224 -9.390 1.00 10.00 N ATOM 903 CA ALA A 60 -17.424 17.387 -10.605 1.00 10.00 C ATOM 904 C ALA A 60 -16.148 16.550 -10.554 1.00 10.00 C ATOM 905 O ALA A 60 -15.879 15.830 -11.508 1.00 10.00 O ATOM 906 CB ALA A 60 -17.165 18.878 -10.822 1.00 10.00 C ATOM 0 H ALA A 60 -18.321 18.100 -8.883 1.00 10.00 H new ATOM 0 HA ALA A 60 -17.981 17.016 -11.466 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -16.584 19.017 -11.734 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -18.116 19.403 -10.914 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -16.610 19.278 -9.974 1.00 10.00 H new ATOM 912 N GLN A 61 -15.462 16.511 -9.405 1.00 10.00 N ATOM 913 CA GLN A 61 -14.345 15.615 -9.070 1.00 10.00 C ATOM 914 C GLN A 61 -14.768 14.169 -8.714 1.00 10.00 C ATOM 915 O GLN A 61 -14.176 13.454 -7.905 1.00 10.00 O ATOM 916 CB GLN A 61 -13.478 16.284 -8.024 1.00 10.00 C ATOM 917 CG GLN A 61 -12.073 15.647 -7.906 1.00 10.00 C ATOM 918 CD GLN A 61 -11.487 15.605 -6.494 1.00 10.00 C ATOM 919 OE1 GLN A 61 -11.988 16.170 -5.530 1.00 10.00 O ATOM 920 NE2 GLN A 61 -10.386 14.905 -6.312 1.00 10.00 N ATOM 0 H GLN A 61 -15.685 17.143 -8.636 1.00 10.00 H new ATOM 0 HA GLN A 61 -13.748 15.463 -9.969 1.00 10.00 H new ATOM 0 HB2 GLN A 61 -13.372 17.341 -8.269 1.00 10.00 H new ATOM 0 HB3 GLN A 61 -13.978 16.230 -7.057 1.00 10.00 H new ATOM 0 HG2 GLN A 61 -12.121 14.628 -8.291 1.00 10.00 H new ATOM 0 HG3 GLN A 61 -11.387 16.199 -8.549 1.00 10.00 H new ATOM 0 HE21 GLN A 61 -9.950 14.426 -7.100 1.00 10.00 H new ATOM 0 HE22 GLN A 61 -9.969 14.842 -5.383 1.00 10.00 H new ATOM 929 N SER A 62 -15.842 13.761 -9.364 1.00 10.00 N ATOM 930 CA SER A 62 -16.395 12.419 -9.472 1.00 10.00 C ATOM 931 C SER A 62 -16.904 12.225 -10.903 1.00 10.00 C ATOM 932 O SER A 62 -16.606 11.221 -11.541 1.00 10.00 O ATOM 933 CB SER A 62 -17.459 12.173 -8.411 1.00 10.00 C ATOM 934 OG SER A 62 -17.864 10.813 -8.413 1.00 10.00 O ATOM 0 H SER A 62 -16.409 14.430 -9.884 1.00 10.00 H new ATOM 0 HA SER A 62 -15.626 11.671 -9.279 1.00 10.00 H new ATOM 0 HB2 SER A 62 -17.069 12.440 -7.429 1.00 10.00 H new ATOM 0 HB3 SER A 62 -18.320 12.814 -8.597 1.00 10.00 H new ATOM 0 HG SER A 62 -18.153 10.556 -7.512 1.00 10.00 H new ATOM 940 N ASN A 63 -17.503 13.262 -11.492 1.00 10.00 N ATOM 941 CA ASN A 63 -17.935 13.309 -12.879 1.00 10.00 C ATOM 942 C ASN A 63 -16.786 13.083 -13.853 1.00 10.00 C ATOM 943 O ASN A 63 -16.825 12.181 -14.670 1.00 10.00 O ATOM 944 CB ASN A 63 -18.609 14.669 -13.135 1.00 10.00 C ATOM 945 CG ASN A 63 -19.636 14.610 -14.259 1.00 10.00 C ATOM 946 OD1 ASN A 63 -20.445 13.699 -14.354 1.00 10.00 O ATOM 947 ND2 ASN A 63 -19.636 15.574 -15.153 1.00 10.00 N ATOM 0 H ASN A 63 -17.706 14.126 -10.989 1.00 10.00 H new ATOM 0 HA ASN A 63 -18.643 12.498 -13.050 1.00 10.00 H new ATOM 0 HB2 ASN A 63 -19.096 15.007 -12.220 1.00 10.00 H new ATOM 0 HB3 ASN A 63 -17.847 15.408 -13.382 1.00 10.00 H new ATOM 0 HD21 ASN A 63 -20.308 15.558 -15.920 1.00 10.00 H new ATOM 0 HD22 ASN A 63 -18.964 16.337 -15.080 1.00 10.00 H new ATOM 954 N THR A 64 -15.730 13.866 -13.696 1.00 10.00 N ATOM 955 CA THR A 64 -14.468 13.809 -14.451 1.00 10.00 C ATOM 956 C THR A 64 -13.805 12.434 -14.469 1.00 10.00 C ATOM 957 O THR A 64 -13.489 11.843 -15.498 1.00 10.00 O ATOM 958 CB THR A 64 -13.550 14.887 -13.884 1.00 10.00 C ATOM 959 OG1 THR A 64 -12.347 14.998 -14.599 1.00 10.00 O ATOM 960 CG2 THR A 64 -13.257 14.683 -12.400 1.00 10.00 C ATOM 0 H THR A 64 -15.721 14.608 -12.996 1.00 10.00 H new ATOM 0 HA THR A 64 -14.683 13.996 -15.503 1.00 10.00 H new ATOM 0 HB THR A 64 -14.099 15.822 -13.996 1.00 10.00 H new ATOM 0 HG1 THR A 64 -11.803 14.197 -14.450 1.00 10.00 H new ATOM 0 HG21 THR A 64 -12.599 15.477 -12.046 1.00 10.00 H new ATOM 0 HG22 THR A 64 -14.191 14.708 -11.838 1.00 10.00 H new ATOM 0 HG23 THR A 64 -12.771 13.718 -12.254 1.00 10.00 H new ATOM 968 N VAL A 65 -13.749 11.860 -13.286 1.00 10.00 N ATOM 969 CA VAL A 65 -13.292 10.524 -12.934 1.00 10.00 C ATOM 970 C VAL A 65 -14.092 9.437 -13.685 1.00 10.00 C ATOM 971 O VAL A 65 -13.541 8.433 -14.139 1.00 10.00 O ATOM 972 CB VAL A 65 -13.466 10.398 -11.408 1.00 10.00 C ATOM 973 CG1 VAL A 65 -12.461 9.430 -10.793 1.00 10.00 C ATOM 974 CG2 VAL A 65 -13.314 11.711 -10.619 1.00 10.00 C ATOM 0 H VAL A 65 -14.054 12.369 -12.456 1.00 10.00 H new ATOM 0 HA VAL A 65 -12.251 10.378 -13.223 1.00 10.00 H new ATOM 0 HB VAL A 65 -14.493 10.044 -11.320 1.00 10.00 H new ATOM 0 HG11 VAL A 65 -12.622 9.374 -9.716 1.00 10.00 H new ATOM 0 HG12 VAL A 65 -12.593 8.441 -11.232 1.00 10.00 H new ATOM 0 HG13 VAL A 65 -11.449 9.782 -10.991 1.00 10.00 H new ATOM 0 HG21 VAL A 65 -13.454 11.515 -9.556 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -12.318 12.121 -10.784 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -14.062 12.428 -10.958 1.00 10.00 H new ATOM 984 N LYS A 66 -15.390 9.702 -13.884 1.00 10.00 N ATOM 985 CA LYS A 66 -16.420 8.957 -14.619 1.00 10.00 C ATOM 986 C LYS A 66 -16.654 9.471 -16.060 1.00 10.00 C ATOM 987 O LYS A 66 -17.587 9.042 -16.738 1.00 10.00 O ATOM 988 CB LYS A 66 -17.711 9.063 -13.784 1.00 10.00 C ATOM 989 CG LYS A 66 -17.657 8.270 -12.467 1.00 10.00 C ATOM 990 CD LYS A 66 -18.749 8.769 -11.510 1.00 10.00 C ATOM 991 CE LYS A 66 -18.736 7.961 -10.208 1.00 10.00 C ATOM 992 NZ LYS A 66 -19.605 8.585 -9.179 1.00 10.00 N ATOM 0 H LYS A 66 -15.792 10.550 -13.483 1.00 10.00 H new ATOM 0 HA LYS A 66 -16.093 7.925 -14.745 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -17.904 10.112 -13.560 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -18.550 8.705 -14.380 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -17.794 7.207 -12.667 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -16.677 8.383 -12.004 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -18.593 9.825 -11.290 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -19.725 8.684 -11.987 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -19.074 6.944 -10.405 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -17.716 7.890 -9.831 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -19.795 7.898 -8.422 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -19.127 9.418 -8.779 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -20.503 8.877 -9.614 1.00 10.00 H new ATOM 1006 N VAL A 67 -15.777 10.347 -16.550 1.00 10.00 N ATOM 1007 CA VAL A 67 -15.693 10.920 -17.896 1.00 10.00 C ATOM 1008 C VAL A 67 -14.467 10.416 -18.622 1.00 10.00 C ATOM 1009 O VAL A 67 -14.512 10.198 -19.827 1.00 10.00 O ATOM 1010 CB VAL A 67 -15.722 12.441 -17.790 1.00 10.00 C ATOM 1011 CG1 VAL A 67 -15.044 13.205 -18.914 1.00 10.00 C ATOM 1012 CG2 VAL A 67 -17.173 12.841 -17.642 1.00 10.00 C ATOM 0 H VAL A 67 -15.032 10.710 -15.955 1.00 10.00 H new ATOM 0 HA VAL A 67 -16.551 10.602 -18.489 1.00 10.00 H new ATOM 0 HB VAL A 67 -15.121 12.721 -16.925 1.00 10.00 H new ATOM 0 HG11 VAL A 67 -15.129 14.276 -18.729 1.00 10.00 H new ATOM 0 HG12 VAL A 67 -13.991 12.927 -18.959 1.00 10.00 H new ATOM 0 HG13 VAL A 67 -15.525 12.961 -19.861 1.00 10.00 H new ATOM 0 HG21 VAL A 67 -17.245 13.926 -17.562 1.00 10.00 H new ATOM 0 HG22 VAL A 67 -17.734 12.503 -18.513 1.00 10.00 H new ATOM 0 HG23 VAL A 67 -17.587 12.383 -16.744 1.00 10.00 H new ATOM 1022 N PHE A 68 -13.394 10.143 -17.890 1.00 10.00 N ATOM 1023 CA PHE A 68 -12.237 9.410 -18.385 1.00 10.00 C ATOM 1024 C PHE A 68 -12.732 8.020 -18.864 1.00 10.00 C ATOM 1025 O PHE A 68 -12.312 7.495 -19.897 1.00 10.00 O ATOM 1026 CB PHE A 68 -11.250 9.318 -17.215 1.00 10.00 C ATOM 1027 CG PHE A 68 -10.720 10.604 -16.585 1.00 10.00 C ATOM 1028 CD1 PHE A 68 -10.930 11.882 -17.149 1.00 10.00 C ATOM 1029 CD2 PHE A 68 -10.070 10.504 -15.337 1.00 10.00 C ATOM 1030 CE1 PHE A 68 -10.554 13.038 -16.439 1.00 10.00 C ATOM 1031 CE2 PHE A 68 -9.658 11.658 -14.648 1.00 10.00 C ATOM 1032 CZ PHE A 68 -9.910 12.926 -15.195 1.00 10.00 C ATOM 0 H PHE A 68 -13.303 10.431 -16.916 1.00 10.00 H new ATOM 0 HA PHE A 68 -11.739 9.890 -19.227 1.00 10.00 H new ATOM 0 HB2 PHE A 68 -11.730 8.739 -16.426 1.00 10.00 H new ATOM 0 HB3 PHE A 68 -10.390 8.741 -17.556 1.00 10.00 H new ATOM 0 HD1 PHE A 68 -11.380 11.972 -18.127 1.00 10.00 H new ATOM 0 HD2 PHE A 68 -9.887 9.531 -14.906 1.00 10.00 H new ATOM 0 HE1 PHE A 68 -10.761 14.014 -16.852 1.00 10.00 H new ATOM 0 HE2 PHE A 68 -9.149 11.569 -13.700 1.00 10.00 H new ATOM 0 HZ PHE A 68 -9.609 13.815 -14.660 1.00 10.00 H new