USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 495 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 67 THR OG1 : rot -73:sc= 0.994 USER MOD Set 1.2: A 76 ASN :FLIP amide:sc= 0.552 F(o=-1.8,f=1.5) USER MOD Set 2.1: A 28 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 60 LYS NZ :NH3+ 167:sc= -0.0252 (180deg=-0.383) USER MOD Single : A 34 HIS : no HE2:sc= -2.37 K(o=-2.4,f=-6!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -140:sc=-0.00327 (180deg=-0.106) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= -0.0516 (180deg=-0.483) USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= -0.098 (180deg=-0.589) USER MOD Single : A 59 CYS SG : rot -1:sc= -0.99 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 168:sc= -0.397 (180deg=-0.915) USER MOD Single : A 69 MET CE :methyl 138:sc= -0.154 (180deg=-0.952) USER MOD Single : A 71 ASN : amide:sc= -0.21 K(o=-0.21,f=-1) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 2.356 -1.868 -0.067 1.00 0.00 N ATOM 2 CA GLY A 25 2.970 -1.349 -1.322 1.00 0.00 C ATOM 3 C GLY A 25 4.473 -1.184 -1.123 1.00 0.00 C ATOM 4 O GLY A 25 5.003 -1.471 -0.050 1.00 0.00 O ATOM 0 HA2 GLY A 25 2.775 -2.036 -2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.521 -0.393 -1.591 1.00 0.00 H new ATOM 7 N PRO A 26 5.160 -0.728 -2.135 1.00 0.00 N ATOM 8 CA PRO A 26 6.637 -0.517 -2.079 1.00 0.00 C ATOM 9 C PRO A 26 7.015 0.625 -1.139 1.00 0.00 C ATOM 10 O PRO A 26 6.303 1.625 -1.043 1.00 0.00 O ATOM 11 CB PRO A 26 7.009 -0.186 -3.528 1.00 0.00 C ATOM 12 CG PRO A 26 5.758 0.350 -4.142 1.00 0.00 C ATOM 13 CD PRO A 26 4.601 -0.365 -3.447 1.00 0.00 C ATOM 0 HA PRO A 26 7.165 -1.388 -1.690 1.00 0.00 H new ATOM 0 HB2 PRO A 26 7.814 0.548 -3.570 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.358 -1.073 -4.057 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.688 1.429 -4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.741 0.165 -5.216 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.731 0.283 -3.347 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.280 -1.245 -4.004 1.00 0.00 H new ATOM 21 N PHE A 27 8.138 0.467 -0.443 1.00 0.00 N ATOM 22 CA PHE A 27 8.595 1.490 0.490 1.00 0.00 C ATOM 23 C PHE A 27 10.111 1.616 0.443 1.00 0.00 C ATOM 24 O PHE A 27 10.825 0.614 0.422 1.00 0.00 O ATOM 25 CB PHE A 27 8.170 1.128 1.913 1.00 0.00 C ATOM 26 CG PHE A 27 8.517 2.263 2.845 1.00 0.00 C ATOM 27 CD1 PHE A 27 7.686 3.389 2.914 1.00 0.00 C ATOM 28 CD2 PHE A 27 9.664 2.191 3.644 1.00 0.00 C ATOM 29 CE1 PHE A 27 8.002 4.441 3.782 1.00 0.00 C ATOM 30 CE2 PHE A 27 9.981 3.243 4.512 1.00 0.00 C ATOM 31 CZ PHE A 27 9.149 4.368 4.580 1.00 0.00 C ATOM 0 H PHE A 27 8.743 -0.352 -0.507 1.00 0.00 H new ATOM 0 HA PHE A 27 8.146 2.440 0.201 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.098 0.931 1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.671 0.214 2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.801 3.445 2.297 1.00 0.00 H new ATOM 0 HD2 PHE A 27 10.305 1.323 3.591 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.361 5.308 3.836 1.00 0.00 H new ATOM 0 HE2 PHE A 27 10.866 3.187 5.128 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.393 5.180 5.249 1.00 0.00 H new ATOM 41 N CYS A 28 10.602 2.849 0.439 1.00 0.00 N ATOM 42 CA CYS A 28 12.036 3.078 0.408 1.00 0.00 C ATOM 43 C CYS A 28 12.542 3.401 1.808 1.00 0.00 C ATOM 44 O CYS A 28 11.912 4.157 2.549 1.00 0.00 O ATOM 45 CB CYS A 28 12.371 4.227 -0.540 1.00 0.00 C ATOM 46 SG CYS A 28 11.798 3.816 -2.207 1.00 0.00 S ATOM 0 H CYS A 28 10.033 3.696 0.457 1.00 0.00 H new ATOM 0 HA CYS A 28 12.525 2.172 0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.897 5.146 -0.197 1.00 0.00 H new ATOM 0 HB3 CYS A 28 13.446 4.406 -0.547 1.00 0.00 H new ATOM 0 HG CYS A 28 12.080 4.794 -3.016 1.00 0.00 H new ATOM 52 N GLY A 29 13.678 2.822 2.162 1.00 0.00 N ATOM 53 CA GLY A 29 14.265 3.048 3.478 1.00 0.00 C ATOM 54 C GLY A 29 15.462 2.133 3.715 1.00 0.00 C ATOM 55 O GLY A 29 16.266 1.897 2.812 1.00 0.00 O ATOM 0 H GLY A 29 14.212 2.194 1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.577 4.089 3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.514 2.875 4.248 1.00 0.00 H new ATOM 59 N ARG A 30 15.573 1.627 4.940 1.00 0.00 N ATOM 60 CA ARG A 30 16.675 0.741 5.303 1.00 0.00 C ATOM 61 C ARG A 30 16.163 -0.680 5.519 1.00 0.00 C ATOM 62 O ARG A 30 15.030 -0.884 5.954 1.00 0.00 O ATOM 63 CB ARG A 30 17.341 1.238 6.590 1.00 0.00 C ATOM 64 CG ARG A 30 17.891 2.652 6.384 1.00 0.00 C ATOM 65 CD ARG A 30 19.210 2.595 5.605 1.00 0.00 C ATOM 66 NE ARG A 30 20.264 2.035 6.449 1.00 0.00 N ATOM 67 CZ ARG A 30 21.527 1.932 6.029 1.00 0.00 C ATOM 68 NH1 ARG A 30 21.874 2.338 4.833 1.00 0.00 N ATOM 69 NH2 ARG A 30 22.430 1.423 6.822 1.00 0.00 N ATOM 0 H ARG A 30 14.915 1.815 5.697 1.00 0.00 H new ATOM 0 HA ARG A 30 17.402 0.741 4.491 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.619 1.235 7.407 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.148 0.563 6.875 1.00 0.00 H new ATOM 0 HG2 ARG A 30 17.165 3.258 5.842 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.050 3.133 7.349 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.087 1.986 4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 30 19.490 3.595 5.274 1.00 0.00 H new ATOM 0 HE ARG A 30 20.027 1.713 7.387 1.00 0.00 H new ATOM 0 HH11 ARG A 30 21.175 2.740 4.208 1.00 0.00 H new ATOM 0 HH12 ARG A 30 22.843 2.253 4.527 1.00 0.00 H new ATOM 0 HH21 ARG A 30 22.169 1.107 7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 30 23.397 1.341 6.508 1.00 0.00 H new ATOM 83 N ALA A 31 17.004 -1.659 5.209 1.00 0.00 N ATOM 84 CA ALA A 31 16.626 -3.056 5.372 1.00 0.00 C ATOM 85 C ALA A 31 17.595 -3.763 6.310 1.00 0.00 C ATOM 86 O ALA A 31 18.791 -3.481 6.308 1.00 0.00 O ATOM 87 CB ALA A 31 16.624 -3.758 4.014 1.00 0.00 C ATOM 0 H ALA A 31 17.946 -1.513 4.846 1.00 0.00 H new ATOM 0 HA ALA A 31 15.625 -3.096 5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.340 -4.802 4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.910 -3.268 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.620 -3.705 3.575 1.00 0.00 H new ATOM 93 N ARG A 32 17.071 -4.676 7.115 1.00 0.00 N ATOM 94 CA ARG A 32 17.902 -5.412 8.059 1.00 0.00 C ATOM 95 C ARG A 32 17.827 -6.906 7.780 1.00 0.00 C ATOM 96 O ARG A 32 16.754 -7.450 7.522 1.00 0.00 O ATOM 97 CB ARG A 32 17.432 -5.123 9.485 1.00 0.00 C ATOM 98 CG ARG A 32 15.974 -5.560 9.643 1.00 0.00 C ATOM 99 CD ARG A 32 15.457 -5.115 11.011 1.00 0.00 C ATOM 100 NE ARG A 32 14.054 -5.488 11.168 1.00 0.00 N ATOM 101 CZ ARG A 32 13.336 -5.090 12.220 1.00 0.00 C ATOM 102 NH1 ARG A 32 13.871 -4.344 13.154 1.00 0.00 N ATOM 103 NH2 ARG A 32 12.084 -5.444 12.318 1.00 0.00 N ATOM 0 H ARG A 32 16.082 -4.924 7.135 1.00 0.00 H new ATOM 0 HA ARG A 32 18.937 -5.091 7.946 1.00 0.00 H new ATOM 0 HB2 ARG A 32 18.061 -5.653 10.200 1.00 0.00 H new ATOM 0 HB3 ARG A 32 17.529 -4.059 9.702 1.00 0.00 H new ATOM 0 HG2 ARG A 32 15.364 -5.124 8.852 1.00 0.00 H new ATOM 0 HG3 ARG A 32 15.895 -6.643 9.546 1.00 0.00 H new ATOM 0 HD2 ARG A 32 16.053 -5.574 11.800 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.567 -4.036 11.116 1.00 0.00 H new ATOM 0 HE ARG A 32 13.611 -6.068 10.455 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.848 -4.060 13.083 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.311 -4.047 13.953 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.659 -6.022 11.593 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.530 -5.143 13.120 1.00 0.00 H new ATOM 117 N VAL A 33 18.982 -7.559 7.808 1.00 0.00 N ATOM 118 CA VAL A 33 19.051 -8.987 7.531 1.00 0.00 C ATOM 119 C VAL A 33 18.753 -9.802 8.786 1.00 0.00 C ATOM 120 O VAL A 33 19.250 -9.496 9.870 1.00 0.00 O ATOM 121 CB VAL A 33 20.439 -9.341 7.006 1.00 0.00 C ATOM 122 CG1 VAL A 33 20.472 -10.820 6.622 1.00 0.00 C ATOM 123 CG2 VAL A 33 20.756 -8.479 5.785 1.00 0.00 C ATOM 0 H VAL A 33 19.880 -7.124 8.019 1.00 0.00 H new ATOM 0 HA VAL A 33 18.300 -9.228 6.779 1.00 0.00 H new ATOM 0 HB VAL A 33 21.184 -9.153 7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 33 21.463 -11.076 6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 33 20.247 -11.428 7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 33 19.729 -11.011 5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 33 21.748 -8.731 5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.015 -8.664 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.732 -7.426 6.067 1.00 0.00 H new ATOM 133 N HIS A 34 17.932 -10.838 8.634 1.00 0.00 N ATOM 134 CA HIS A 34 17.577 -11.689 9.769 1.00 0.00 C ATOM 135 C HIS A 34 18.258 -13.055 9.687 1.00 0.00 C ATOM 136 O HIS A 34 18.264 -13.806 10.663 1.00 0.00 O ATOM 137 CB HIS A 34 16.064 -11.881 9.826 1.00 0.00 C ATOM 138 CG HIS A 34 15.406 -10.565 10.119 1.00 0.00 C ATOM 139 ND1 HIS A 34 15.367 -10.031 11.397 1.00 0.00 N ATOM 140 CD2 HIS A 34 14.758 -9.663 9.315 1.00 0.00 C ATOM 141 CE1 HIS A 34 14.713 -8.857 11.326 1.00 0.00 C ATOM 142 NE2 HIS A 34 14.321 -8.584 10.079 1.00 0.00 N ATOM 0 H HIS A 34 17.504 -11.107 7.748 1.00 0.00 H new ATOM 0 HA HIS A 34 17.923 -11.189 10.674 1.00 0.00 H new ATOM 0 HB2 HIS A 34 15.701 -12.279 8.878 1.00 0.00 H new ATOM 0 HB3 HIS A 34 15.807 -12.608 10.596 1.00 0.00 H new ATOM 0 HD1 HIS A 34 15.762 -10.451 12.238 1.00 0.00 H new ATOM 0 HD2 HIS A 34 14.609 -9.773 8.251 1.00 0.00 H new ATOM 0 HE1 HIS A 34 14.528 -8.214 12.174 1.00 0.00 H new ATOM 150 N THR A 35 18.829 -13.377 8.532 1.00 0.00 N ATOM 151 CA THR A 35 19.502 -14.659 8.362 1.00 0.00 C ATOM 152 C THR A 35 20.770 -14.487 7.534 1.00 0.00 C ATOM 153 O THR A 35 20.846 -13.616 6.669 1.00 0.00 O ATOM 154 CB THR A 35 18.568 -15.652 7.665 1.00 0.00 C ATOM 155 OG1 THR A 35 19.188 -16.930 7.610 1.00 0.00 O ATOM 156 CG2 THR A 35 18.275 -15.164 6.247 1.00 0.00 C ATOM 0 H THR A 35 18.840 -12.776 7.708 1.00 0.00 H new ATOM 0 HA THR A 35 19.770 -15.043 9.347 1.00 0.00 H new ATOM 0 HB THR A 35 17.635 -15.727 8.224 1.00 0.00 H new ATOM 0 HG1 THR A 35 18.589 -17.565 7.165 1.00 0.00 H new ATOM 0 HG21 THR A 35 17.610 -15.870 5.749 1.00 0.00 H new ATOM 0 HG22 THR A 35 17.798 -14.185 6.290 1.00 0.00 H new ATOM 0 HG23 THR A 35 19.208 -15.088 5.688 1.00 0.00 H new ATOM 164 N ASP A 36 21.766 -15.318 7.810 1.00 0.00 N ATOM 165 CA ASP A 36 23.030 -15.238 7.088 1.00 0.00 C ATOM 166 C ASP A 36 22.895 -15.815 5.683 1.00 0.00 C ATOM 167 O ASP A 36 22.556 -16.986 5.512 1.00 0.00 O ATOM 168 CB ASP A 36 24.119 -16.008 7.841 1.00 0.00 C ATOM 169 CG ASP A 36 23.676 -17.450 8.082 1.00 0.00 C ATOM 170 OD1 ASP A 36 22.634 -17.640 8.688 1.00 0.00 O ATOM 171 OD2 ASP A 36 24.384 -18.344 7.649 1.00 0.00 O ATOM 0 H ASP A 36 21.726 -16.048 8.521 1.00 0.00 H new ATOM 0 HA ASP A 36 23.305 -14.186 7.014 1.00 0.00 H new ATOM 0 HB2 ASP A 36 25.046 -15.996 7.267 1.00 0.00 H new ATOM 0 HB3 ASP A 36 24.327 -15.520 8.793 1.00 0.00 H new ATOM 176 N PHE A 37 23.183 -14.989 4.684 1.00 0.00 N ATOM 177 CA PHE A 37 23.116 -15.424 3.296 1.00 0.00 C ATOM 178 C PHE A 37 24.492 -15.290 2.654 1.00 0.00 C ATOM 179 O PHE A 37 25.038 -14.190 2.561 1.00 0.00 O ATOM 180 CB PHE A 37 22.091 -14.581 2.533 1.00 0.00 C ATOM 181 CG PHE A 37 22.069 -14.986 1.078 1.00 0.00 C ATOM 182 CD1 PHE A 37 22.173 -16.337 0.724 1.00 0.00 C ATOM 183 CD2 PHE A 37 21.936 -14.009 0.080 1.00 0.00 C ATOM 184 CE1 PHE A 37 22.148 -16.711 -0.625 1.00 0.00 C ATOM 185 CE2 PHE A 37 21.911 -14.384 -1.269 1.00 0.00 C ATOM 186 CZ PHE A 37 22.017 -15.736 -1.621 1.00 0.00 C ATOM 0 H PHE A 37 23.464 -14.017 4.810 1.00 0.00 H new ATOM 0 HA PHE A 37 22.805 -16.468 3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 37 21.101 -14.713 2.971 1.00 0.00 H new ATOM 0 HB3 PHE A 37 22.340 -13.523 2.621 1.00 0.00 H new ATOM 0 HD1 PHE A 37 22.272 -17.090 1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 37 21.853 -12.967 0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 37 22.230 -17.753 -0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 37 21.810 -13.632 -2.037 1.00 0.00 H new ATOM 0 HZ PHE A 37 21.998 -16.026 -2.661 1.00 0.00 H new ATOM 196 N THR A 38 25.054 -16.411 2.214 1.00 0.00 N ATOM 197 CA THR A 38 26.369 -16.396 1.588 1.00 0.00 C ATOM 198 C THR A 38 26.317 -17.081 0.216 1.00 0.00 C ATOM 199 O THR A 38 26.430 -18.303 0.131 1.00 0.00 O ATOM 200 CB THR A 38 27.381 -17.124 2.479 1.00 0.00 C ATOM 201 OG1 THR A 38 27.412 -16.509 3.762 1.00 0.00 O ATOM 202 CG2 THR A 38 28.766 -17.038 1.840 1.00 0.00 C ATOM 0 H THR A 38 24.623 -17.333 2.279 1.00 0.00 H new ATOM 0 HA THR A 38 26.677 -15.358 1.458 1.00 0.00 H new ATOM 0 HB THR A 38 27.090 -18.169 2.586 1.00 0.00 H new ATOM 0 HG1 THR A 38 28.058 -16.975 4.333 1.00 0.00 H new ATOM 0 HG21 THR A 38 29.490 -17.555 2.470 1.00 0.00 H new ATOM 0 HG22 THR A 38 28.742 -17.506 0.856 1.00 0.00 H new ATOM 0 HG23 THR A 38 29.055 -15.992 1.738 1.00 0.00 H new ATOM 210 N PRO A 39 26.141 -16.337 -0.852 1.00 0.00 N ATOM 211 CA PRO A 39 26.069 -16.917 -2.232 1.00 0.00 C ATOM 212 C PRO A 39 27.312 -17.739 -2.574 1.00 0.00 C ATOM 213 O PRO A 39 28.410 -17.442 -2.106 1.00 0.00 O ATOM 214 CB PRO A 39 25.967 -15.686 -3.138 1.00 0.00 C ATOM 215 CG PRO A 39 25.416 -14.610 -2.266 1.00 0.00 C ATOM 216 CD PRO A 39 25.984 -14.870 -0.880 1.00 0.00 C ATOM 0 HA PRO A 39 25.231 -17.606 -2.343 1.00 0.00 H new ATOM 0 HB2 PRO A 39 26.942 -15.409 -3.539 1.00 0.00 H new ATOM 0 HB3 PRO A 39 25.315 -15.876 -3.990 1.00 0.00 H new ATOM 0 HG2 PRO A 39 25.707 -13.624 -2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 39 24.326 -14.636 -2.253 1.00 0.00 H new ATOM 0 HD2 PRO A 39 26.936 -14.360 -0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 39 25.311 -14.522 -0.097 1.00 0.00 H new ATOM 224 N SER A 40 27.128 -18.781 -3.385 1.00 0.00 N ATOM 225 CA SER A 40 28.244 -19.643 -3.771 1.00 0.00 C ATOM 226 C SER A 40 29.228 -18.886 -4.668 1.00 0.00 C ATOM 227 O SER A 40 28.870 -17.877 -5.274 1.00 0.00 O ATOM 228 CB SER A 40 27.718 -20.871 -4.513 1.00 0.00 C ATOM 229 OG SER A 40 27.144 -20.465 -5.749 1.00 0.00 O ATOM 0 H SER A 40 26.227 -19.046 -3.783 1.00 0.00 H new ATOM 0 HA SER A 40 28.765 -19.957 -2.867 1.00 0.00 H new ATOM 0 HB2 SER A 40 28.529 -21.578 -4.690 1.00 0.00 H new ATOM 0 HB3 SER A 40 26.974 -21.386 -3.905 1.00 0.00 H new ATOM 0 HG SER A 40 26.808 -21.251 -6.227 1.00 0.00 H new ATOM 235 N PRO A 41 30.455 -19.347 -4.761 1.00 0.00 N ATOM 236 CA PRO A 41 31.508 -18.691 -5.602 1.00 0.00 C ATOM 237 C PRO A 41 31.083 -18.565 -7.060 1.00 0.00 C ATOM 238 O PRO A 41 31.491 -17.638 -7.760 1.00 0.00 O ATOM 239 CB PRO A 41 32.711 -19.628 -5.478 1.00 0.00 C ATOM 240 CG PRO A 41 32.491 -20.364 -4.204 1.00 0.00 C ATOM 241 CD PRO A 41 30.985 -20.543 -4.081 1.00 0.00 C ATOM 0 HA PRO A 41 31.713 -17.673 -5.271 1.00 0.00 H new ATOM 0 HB2 PRO A 41 32.768 -20.312 -6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 41 33.647 -19.069 -5.455 1.00 0.00 H new ATOM 0 HG2 PRO A 41 32.999 -21.328 -4.217 1.00 0.00 H new ATOM 0 HG3 PRO A 41 32.889 -19.806 -3.357 1.00 0.00 H new ATOM 0 HD2 PRO A 41 30.647 -21.463 -4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 41 30.667 -20.590 -3.039 1.00 0.00 H new ATOM 249 N TYR A 42 30.273 -19.513 -7.511 1.00 0.00 N ATOM 250 CA TYR A 42 29.804 -19.514 -8.889 1.00 0.00 C ATOM 251 C TYR A 42 28.988 -18.258 -9.164 1.00 0.00 C ATOM 252 O TYR A 42 28.858 -17.829 -10.311 1.00 0.00 O ATOM 253 CB TYR A 42 28.934 -20.746 -9.142 1.00 0.00 C ATOM 254 CG TYR A 42 29.735 -21.995 -8.865 1.00 0.00 C ATOM 255 CD1 TYR A 42 29.682 -22.578 -7.595 1.00 0.00 C ATOM 256 CD2 TYR A 42 30.530 -22.566 -9.866 1.00 0.00 C ATOM 257 CE1 TYR A 42 30.418 -23.733 -7.321 1.00 0.00 C ATOM 258 CE2 TYR A 42 31.271 -23.724 -9.593 1.00 0.00 C ATOM 259 CZ TYR A 42 31.214 -24.308 -8.321 1.00 0.00 C ATOM 260 OH TYR A 42 31.943 -25.450 -8.050 1.00 0.00 O ATOM 0 H TYR A 42 29.928 -20.288 -6.945 1.00 0.00 H new ATOM 0 HA TYR A 42 30.668 -19.536 -9.553 1.00 0.00 H new ATOM 0 HB2 TYR A 42 28.051 -20.718 -8.503 1.00 0.00 H new ATOM 0 HB3 TYR A 42 28.581 -20.749 -10.173 1.00 0.00 H new ATOM 0 HD1 TYR A 42 29.070 -22.134 -6.824 1.00 0.00 H new ATOM 0 HD2 TYR A 42 30.572 -22.115 -10.846 1.00 0.00 H new ATOM 0 HE1 TYR A 42 30.374 -24.182 -6.340 1.00 0.00 H new ATOM 0 HE2 TYR A 42 31.886 -24.166 -10.363 1.00 0.00 H new ATOM 0 HH TYR A 42 32.440 -25.719 -8.851 1.00 0.00 H new ATOM 270 N ASP A 43 28.448 -17.664 -8.104 1.00 0.00 N ATOM 271 CA ASP A 43 27.658 -16.452 -8.255 1.00 0.00 C ATOM 272 C ASP A 43 28.440 -15.251 -7.737 1.00 0.00 C ATOM 273 O ASP A 43 28.549 -15.040 -6.529 1.00 0.00 O ATOM 274 CB ASP A 43 26.342 -16.588 -7.490 1.00 0.00 C ATOM 275 CG ASP A 43 25.436 -17.589 -8.199 1.00 0.00 C ATOM 276 OD1 ASP A 43 25.729 -17.920 -9.336 1.00 0.00 O ATOM 277 OD2 ASP A 43 24.466 -18.014 -7.595 1.00 0.00 O ATOM 0 H ASP A 43 28.542 -17.998 -7.145 1.00 0.00 H new ATOM 0 HA ASP A 43 27.439 -16.302 -9.312 1.00 0.00 H new ATOM 0 HB2 ASP A 43 26.536 -16.918 -6.469 1.00 0.00 H new ATOM 0 HB3 ASP A 43 25.847 -15.619 -7.423 1.00 0.00 H new ATOM 282 N THR A 44 28.978 -14.463 -8.661 1.00 0.00 N ATOM 283 CA THR A 44 29.744 -13.281 -8.283 1.00 0.00 C ATOM 284 C THR A 44 28.818 -12.080 -8.113 1.00 0.00 C ATOM 285 O THR A 44 29.048 -11.222 -7.262 1.00 0.00 O ATOM 286 CB THR A 44 30.824 -12.980 -9.333 1.00 0.00 C ATOM 287 OG1 THR A 44 31.392 -11.705 -9.071 1.00 0.00 O ATOM 288 CG2 THR A 44 30.222 -12.993 -10.740 1.00 0.00 C ATOM 0 H THR A 44 28.900 -14.618 -9.666 1.00 0.00 H new ATOM 0 HA THR A 44 30.236 -13.479 -7.330 1.00 0.00 H new ATOM 0 HB THR A 44 31.595 -13.748 -9.276 1.00 0.00 H new ATOM 0 HG1 THR A 44 32.083 -11.511 -9.739 1.00 0.00 H new ATOM 0 HG21 THR A 44 31.001 -12.778 -11.471 1.00 0.00 H new ATOM 0 HG22 THR A 44 29.794 -13.975 -10.944 1.00 0.00 H new ATOM 0 HG23 THR A 44 29.441 -12.236 -10.809 1.00 0.00 H new ATOM 296 N ASP A 45 27.765 -12.034 -8.924 1.00 0.00 N ATOM 297 CA ASP A 45 26.803 -10.940 -8.854 1.00 0.00 C ATOM 298 C ASP A 45 26.094 -10.920 -7.504 1.00 0.00 C ATOM 299 O ASP A 45 25.814 -9.855 -6.956 1.00 0.00 O ATOM 300 CB ASP A 45 25.767 -11.079 -9.970 1.00 0.00 C ATOM 301 CG ASP A 45 26.410 -10.752 -11.312 1.00 0.00 C ATOM 302 OD1 ASP A 45 27.507 -10.218 -11.305 1.00 0.00 O ATOM 303 OD2 ASP A 45 25.797 -11.039 -12.326 1.00 0.00 O ATOM 0 H ASP A 45 27.557 -12.737 -9.633 1.00 0.00 H new ATOM 0 HA ASP A 45 27.349 -10.004 -8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 45 25.368 -12.093 -9.985 1.00 0.00 H new ATOM 0 HB3 ASP A 45 24.927 -10.409 -9.785 1.00 0.00 H new ATOM 308 N SER A 46 25.793 -12.102 -6.977 1.00 0.00 N ATOM 309 CA SER A 46 25.102 -12.194 -5.698 1.00 0.00 C ATOM 310 C SER A 46 25.948 -11.583 -4.584 1.00 0.00 C ATOM 311 O SER A 46 27.138 -11.876 -4.459 1.00 0.00 O ATOM 312 CB SER A 46 24.800 -13.656 -5.378 1.00 0.00 C ATOM 313 OG SER A 46 23.974 -14.198 -6.401 1.00 0.00 O ATOM 0 H SER A 46 26.014 -12.999 -7.410 1.00 0.00 H new ATOM 0 HA SER A 46 24.167 -11.638 -5.767 1.00 0.00 H new ATOM 0 HB2 SER A 46 25.728 -14.224 -5.304 1.00 0.00 H new ATOM 0 HB3 SER A 46 24.301 -13.734 -4.412 1.00 0.00 H new ATOM 0 HG SER A 46 23.779 -15.137 -6.201 1.00 0.00 H new ATOM 319 N LEU A 47 25.322 -10.729 -3.781 1.00 0.00 N ATOM 320 CA LEU A 47 26.015 -10.070 -2.683 1.00 0.00 C ATOM 321 C LEU A 47 25.971 -10.928 -1.424 1.00 0.00 C ATOM 322 O LEU A 47 25.026 -11.686 -1.212 1.00 0.00 O ATOM 323 CB LEU A 47 25.373 -8.712 -2.402 1.00 0.00 C ATOM 324 CG LEU A 47 26.373 -7.819 -1.665 1.00 0.00 C ATOM 325 CD1 LEU A 47 26.368 -6.420 -2.284 1.00 0.00 C ATOM 326 CD2 LEU A 47 25.968 -7.729 -0.194 1.00 0.00 C ATOM 0 H LEU A 47 24.337 -10.478 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 47 27.057 -9.927 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 47 25.068 -8.241 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.472 -8.841 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 47 27.374 -8.242 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 47 27.081 -5.786 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 47 26.649 -6.486 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.370 -5.989 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 47 26.675 -7.094 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.968 -7.302 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.972 -8.726 0.246 1.00 0.00 H new ATOM 338 N LYS A 48 26.991 -10.791 -0.583 1.00 0.00 N ATOM 339 CA LYS A 48 27.045 -11.545 0.660 1.00 0.00 C ATOM 340 C LYS A 48 26.554 -10.678 1.816 1.00 0.00 C ATOM 341 O LYS A 48 27.085 -9.593 2.055 1.00 0.00 O ATOM 342 CB LYS A 48 28.478 -12.005 0.928 1.00 0.00 C ATOM 343 CG LYS A 48 28.540 -12.716 2.279 1.00 0.00 C ATOM 344 CD LYS A 48 29.349 -11.869 3.259 1.00 0.00 C ATOM 345 CE LYS A 48 29.766 -12.732 4.451 1.00 0.00 C ATOM 346 NZ LYS A 48 30.924 -13.586 4.065 1.00 0.00 N ATOM 0 H LYS A 48 27.785 -10.170 -0.739 1.00 0.00 H new ATOM 0 HA LYS A 48 26.401 -12.420 0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.810 -12.676 0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.153 -11.149 0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 48 27.533 -12.877 2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 48 28.998 -13.698 2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 48 30.231 -11.463 2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 48 28.755 -11.021 3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.034 -12.098 5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 48 28.932 -13.356 4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 30.808 -14.534 4.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 30.970 -13.661 3.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 31.803 -13.160 4.421 1.00 0.00 H new ATOM 360 N ILE A 49 25.541 -11.155 2.529 1.00 0.00 N ATOM 361 CA ILE A 49 24.996 -10.400 3.653 1.00 0.00 C ATOM 362 C ILE A 49 24.886 -11.279 4.898 1.00 0.00 C ATOM 363 O ILE A 49 24.859 -12.506 4.805 1.00 0.00 O ATOM 364 CB ILE A 49 23.620 -9.839 3.280 1.00 0.00 C ATOM 365 CG1 ILE A 49 22.666 -10.993 2.956 1.00 0.00 C ATOM 366 CG2 ILE A 49 23.757 -8.933 2.056 1.00 0.00 C ATOM 367 CD1 ILE A 49 21.238 -10.464 2.811 1.00 0.00 C ATOM 0 H ILE A 49 25.084 -12.050 2.353 1.00 0.00 H new ATOM 0 HA ILE A 49 25.673 -9.576 3.878 1.00 0.00 H new ATOM 0 HB ILE A 49 23.222 -9.265 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 49 22.976 -11.485 2.034 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.707 -11.743 3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 49 22.779 -8.533 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 49 24.435 -8.111 2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 49 24.154 -9.509 1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 49 20.566 -11.290 2.581 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.928 -9.993 3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 49 21.202 -9.731 2.005 1.00 0.00 H new ATOM 379 N LYS A 50 24.824 -10.641 6.061 1.00 0.00 N ATOM 380 CA LYS A 50 24.721 -11.375 7.319 1.00 0.00 C ATOM 381 C LYS A 50 23.678 -10.739 8.230 1.00 0.00 C ATOM 382 O LYS A 50 23.548 -9.516 8.286 1.00 0.00 O ATOM 383 CB LYS A 50 26.074 -11.404 8.031 1.00 0.00 C ATOM 384 CG LYS A 50 25.946 -12.193 9.335 1.00 0.00 C ATOM 385 CD LYS A 50 27.303 -12.252 10.037 1.00 0.00 C ATOM 386 CE LYS A 50 27.156 -12.986 11.372 1.00 0.00 C ATOM 387 NZ LYS A 50 26.732 -14.393 11.123 1.00 0.00 N ATOM 0 H LYS A 50 24.843 -9.626 6.160 1.00 0.00 H new ATOM 0 HA LYS A 50 24.414 -12.396 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 50 26.826 -11.862 7.388 1.00 0.00 H new ATOM 0 HB3 LYS A 50 26.409 -10.388 8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 50 25.209 -11.722 9.986 1.00 0.00 H new ATOM 0 HG3 LYS A 50 25.589 -13.202 9.127 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.029 -12.765 9.406 1.00 0.00 H new ATOM 0 HD3 LYS A 50 27.682 -11.244 10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.102 -12.971 11.913 1.00 0.00 H new ATOM 0 HE3 LYS A 50 26.422 -12.479 11.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 26.938 -14.971 11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 25.711 -14.418 10.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 27.251 -14.772 10.305 1.00 0.00 H new ATOM 401 N LYS A 51 22.931 -11.574 8.940 1.00 0.00 N ATOM 402 CA LYS A 51 21.901 -11.075 9.840 1.00 0.00 C ATOM 403 C LYS A 51 22.484 -10.048 10.810 1.00 0.00 C ATOM 404 O LYS A 51 23.592 -10.215 11.319 1.00 0.00 O ATOM 405 CB LYS A 51 21.283 -12.238 10.623 1.00 0.00 C ATOM 406 CG LYS A 51 22.337 -12.848 11.548 1.00 0.00 C ATOM 407 CD LYS A 51 21.732 -14.033 12.302 1.00 0.00 C ATOM 408 CE LYS A 51 22.799 -14.649 13.211 1.00 0.00 C ATOM 409 NZ LYS A 51 23.241 -13.642 14.221 1.00 0.00 N ATOM 0 H LYS A 51 23.018 -12.590 8.911 1.00 0.00 H new ATOM 0 HA LYS A 51 21.127 -10.590 9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 51 20.432 -11.886 11.206 1.00 0.00 H new ATOM 0 HB3 LYS A 51 20.907 -12.994 9.934 1.00 0.00 H new ATOM 0 HG2 LYS A 51 23.200 -13.175 10.968 1.00 0.00 H new ATOM 0 HG3 LYS A 51 22.694 -12.098 12.254 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.878 -13.705 12.894 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.363 -14.778 11.597 1.00 0.00 H new ATOM 0 HE2 LYS A 51 22.399 -15.530 13.713 1.00 0.00 H new ATOM 0 HE3 LYS A 51 23.650 -14.980 12.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 23.689 -14.129 15.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 23.925 -12.991 13.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 22.417 -13.104 14.558 1.00 0.00 H new ATOM 423 N GLY A 52 21.728 -8.980 11.048 1.00 0.00 N ATOM 424 CA GLY A 52 22.168 -7.917 11.946 1.00 0.00 C ATOM 425 C GLY A 52 22.721 -6.725 11.163 1.00 0.00 C ATOM 426 O GLY A 52 22.829 -5.620 11.697 1.00 0.00 O ATOM 0 H GLY A 52 20.809 -8.828 10.632 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.332 -7.592 12.566 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.935 -8.300 12.619 1.00 0.00 H new ATOM 430 N ASP A 53 23.064 -6.950 9.896 1.00 0.00 N ATOM 431 CA ASP A 53 23.594 -5.881 9.054 1.00 0.00 C ATOM 432 C ASP A 53 22.462 -5.069 8.426 1.00 0.00 C ATOM 433 O ASP A 53 21.338 -5.553 8.293 1.00 0.00 O ATOM 434 CB ASP A 53 24.482 -6.465 7.954 1.00 0.00 C ATOM 435 CG ASP A 53 25.717 -7.108 8.575 1.00 0.00 C ATOM 436 OD1 ASP A 53 25.672 -8.296 8.845 1.00 0.00 O ATOM 437 OD2 ASP A 53 26.692 -6.402 8.772 1.00 0.00 O ATOM 0 H ASP A 53 22.985 -7.856 9.433 1.00 0.00 H new ATOM 0 HA ASP A 53 24.189 -5.219 9.683 1.00 0.00 H new ATOM 0 HB2 ASP A 53 23.925 -7.205 7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 53 24.780 -5.680 7.259 1.00 0.00 H new ATOM 442 N ILE A 54 22.767 -3.831 8.050 1.00 0.00 N ATOM 443 CA ILE A 54 21.765 -2.959 7.443 1.00 0.00 C ATOM 444 C ILE A 54 22.161 -2.610 6.009 1.00 0.00 C ATOM 445 O ILE A 54 23.300 -2.225 5.744 1.00 0.00 O ATOM 446 CB ILE A 54 21.616 -1.675 8.258 1.00 0.00 C ATOM 447 CG1 ILE A 54 21.305 -2.012 9.728 1.00 0.00 C ATOM 448 CG2 ILE A 54 20.485 -0.830 7.666 1.00 0.00 C ATOM 449 CD1 ILE A 54 20.034 -2.864 9.835 1.00 0.00 C ATOM 0 H ILE A 54 23.691 -3.411 8.153 1.00 0.00 H new ATOM 0 HA ILE A 54 20.813 -3.489 7.431 1.00 0.00 H new ATOM 0 HB ILE A 54 22.550 -1.114 8.220 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.146 -2.548 10.168 1.00 0.00 H new ATOM 0 HG13 ILE A 54 21.180 -1.091 10.298 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.375 0.087 8.244 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.720 -0.581 6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.553 -1.394 7.700 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.834 -3.090 10.883 1.00 0.00 H new ATOM 0 HD12 ILE A 54 19.191 -2.315 9.415 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.172 -3.794 9.283 1.00 0.00 H new ATOM 461 N ILE A 55 21.212 -2.757 5.090 1.00 0.00 N ATOM 462 CA ILE A 55 21.459 -2.468 3.681 1.00 0.00 C ATOM 463 C ILE A 55 20.560 -1.342 3.181 1.00 0.00 C ATOM 464 O ILE A 55 19.351 -1.348 3.412 1.00 0.00 O ATOM 465 CB ILE A 55 21.212 -3.725 2.850 1.00 0.00 C ATOM 466 CG1 ILE A 55 22.171 -4.820 3.315 1.00 0.00 C ATOM 467 CG2 ILE A 55 21.454 -3.423 1.369 1.00 0.00 C ATOM 468 CD1 ILE A 55 21.798 -6.150 2.657 1.00 0.00 C ATOM 0 H ILE A 55 20.265 -3.075 5.295 1.00 0.00 H new ATOM 0 HA ILE A 55 22.496 -2.149 3.576 1.00 0.00 H new ATOM 0 HB ILE A 55 20.181 -4.056 2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 55 23.196 -4.552 3.058 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.129 -4.916 4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.276 -4.323 0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.774 -2.636 1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.484 -3.095 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.485 -6.927 2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.780 -6.421 2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.863 -6.051 1.573 1.00 0.00 H new ATOM 480 N ASP A 56 21.161 -0.376 2.493 1.00 0.00 N ATOM 481 CA ASP A 56 20.407 0.752 1.959 1.00 0.00 C ATOM 482 C ASP A 56 19.601 0.304 0.744 1.00 0.00 C ATOM 483 O ASP A 56 20.172 -0.141 -0.254 1.00 0.00 O ATOM 484 CB ASP A 56 21.365 1.875 1.555 1.00 0.00 C ATOM 485 CG ASP A 56 20.575 3.104 1.115 1.00 0.00 C ATOM 486 OD1 ASP A 56 19.362 3.007 1.028 1.00 0.00 O ATOM 487 OD2 ASP A 56 21.196 4.126 0.871 1.00 0.00 O ATOM 0 H ASP A 56 22.161 -0.352 2.293 1.00 0.00 H new ATOM 0 HA ASP A 56 19.727 1.121 2.727 1.00 0.00 H new ATOM 0 HB2 ASP A 56 22.013 2.130 2.394 1.00 0.00 H new ATOM 0 HB3 ASP A 56 22.011 1.539 0.744 1.00 0.00 H new ATOM 492 N ILE A 57 18.278 0.413 0.835 1.00 0.00 N ATOM 493 CA ILE A 57 17.413 0.001 -0.266 1.00 0.00 C ATOM 494 C ILE A 57 17.565 0.947 -1.453 1.00 0.00 C ATOM 495 O ILE A 57 17.350 2.152 -1.332 1.00 0.00 O ATOM 496 CB ILE A 57 15.952 -0.005 0.194 1.00 0.00 C ATOM 497 CG1 ILE A 57 15.789 -1.001 1.347 1.00 0.00 C ATOM 498 CG2 ILE A 57 15.048 -0.422 -0.969 1.00 0.00 C ATOM 499 CD1 ILE A 57 14.394 -0.859 1.961 1.00 0.00 C ATOM 0 H ILE A 57 17.786 0.779 1.650 1.00 0.00 H new ATOM 0 HA ILE A 57 17.705 -1.003 -0.575 1.00 0.00 H new ATOM 0 HB ILE A 57 15.673 0.994 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.935 -2.018 0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.550 -0.821 2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 57 14.009 -0.426 -0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.165 0.283 -1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 57 15.325 -1.421 -1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 57 14.283 -1.569 2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 57 14.265 0.155 2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.640 -1.061 1.201 1.00 0.00 H new ATOM 511 N ILE A 58 17.935 0.388 -2.602 1.00 0.00 N ATOM 512 CA ILE A 58 18.109 1.188 -3.808 1.00 0.00 C ATOM 513 C ILE A 58 16.980 0.905 -4.795 1.00 0.00 C ATOM 514 O ILE A 58 16.231 1.806 -5.172 1.00 0.00 O ATOM 515 CB ILE A 58 19.457 0.869 -4.462 1.00 0.00 C ATOM 516 CG1 ILE A 58 20.591 1.171 -3.477 1.00 0.00 C ATOM 517 CG2 ILE A 58 19.631 1.732 -5.712 1.00 0.00 C ATOM 518 CD1 ILE A 58 21.912 0.624 -4.030 1.00 0.00 C ATOM 0 H ILE A 58 18.119 -0.608 -2.722 1.00 0.00 H new ATOM 0 HA ILE A 58 18.086 2.242 -3.532 1.00 0.00 H new ATOM 0 HB ILE A 58 19.485 -0.186 -4.736 1.00 0.00 H new ATOM 0 HG12 ILE A 58 20.670 2.246 -3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 58 20.375 0.719 -2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.590 1.507 -6.179 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.826 1.520 -6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.602 2.785 -5.434 1.00 0.00 H new ATOM 0 HD11 ILE A 58 22.717 0.840 -3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.830 -0.454 -4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 58 22.129 1.097 -4.988 1.00 0.00 H new ATOM 530 N CYS A 59 16.861 -0.356 -5.204 1.00 0.00 N ATOM 531 CA CYS A 59 15.814 -0.750 -6.142 1.00 0.00 C ATOM 532 C CYS A 59 15.242 -2.112 -5.762 1.00 0.00 C ATOM 533 O CYS A 59 15.970 -3.001 -5.320 1.00 0.00 O ATOM 534 CB CYS A 59 16.378 -0.810 -7.564 1.00 0.00 C ATOM 535 SG CYS A 59 16.874 0.850 -8.087 1.00 0.00 S ATOM 0 H CYS A 59 17.471 -1.116 -4.904 1.00 0.00 H new ATOM 0 HA CYS A 59 15.017 -0.007 -6.100 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.233 -1.485 -7.599 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.629 -1.209 -8.247 1.00 0.00 H new ATOM 0 HG CYS A 59 16.616 1.699 -7.137 1.00 0.00 H new ATOM 541 N LYS A 60 13.935 -2.274 -5.942 1.00 0.00 N ATOM 542 CA LYS A 60 13.284 -3.538 -5.618 1.00 0.00 C ATOM 543 C LYS A 60 12.017 -3.724 -6.448 1.00 0.00 C ATOM 544 O LYS A 60 11.114 -2.888 -6.420 1.00 0.00 O ATOM 545 CB LYS A 60 12.928 -3.571 -4.130 1.00 0.00 C ATOM 546 CG LYS A 60 12.369 -2.210 -3.709 1.00 0.00 C ATOM 547 CD LYS A 60 11.468 -2.383 -2.486 1.00 0.00 C ATOM 548 CE LYS A 60 11.128 -1.010 -1.905 1.00 0.00 C ATOM 549 NZ LYS A 60 10.430 -0.191 -2.934 1.00 0.00 N ATOM 0 H LYS A 60 13.311 -1.554 -6.307 1.00 0.00 H new ATOM 0 HA LYS A 60 13.975 -4.349 -5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.193 -4.353 -3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.812 -3.812 -3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.185 -1.526 -3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.804 -1.767 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.554 -2.908 -2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.969 -2.993 -1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.495 -1.123 -1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.038 -0.506 -1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.007 0.646 -2.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.113 0.113 -3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.682 -0.759 -3.381 1.00 0.00 H new ATOM 563 N THR A 61 11.956 -4.827 -7.187 1.00 0.00 N ATOM 564 CA THR A 61 10.795 -5.118 -8.024 1.00 0.00 C ATOM 565 C THR A 61 9.624 -5.593 -7.163 1.00 0.00 C ATOM 566 O THR A 61 9.818 -6.004 -6.019 1.00 0.00 O ATOM 567 CB THR A 61 11.162 -6.191 -9.052 1.00 0.00 C ATOM 568 OG1 THR A 61 11.421 -7.418 -8.385 1.00 0.00 O ATOM 569 CG2 THR A 61 12.410 -5.753 -9.820 1.00 0.00 C ATOM 0 H THR A 61 12.692 -5.532 -7.224 1.00 0.00 H new ATOM 0 HA THR A 61 10.494 -4.209 -8.544 1.00 0.00 H new ATOM 0 HB THR A 61 10.335 -6.326 -9.749 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.654 -8.105 -9.043 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.673 -6.516 -10.553 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.210 -4.812 -10.332 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.237 -5.619 -9.123 1.00 0.00 H new ATOM 577 N PRO A 62 8.421 -5.547 -7.681 1.00 0.00 N ATOM 578 CA PRO A 62 7.205 -5.985 -6.929 1.00 0.00 C ATOM 579 C PRO A 62 7.368 -7.389 -6.355 1.00 0.00 C ATOM 580 O PRO A 62 6.892 -7.681 -5.258 1.00 0.00 O ATOM 581 CB PRO A 62 6.101 -5.953 -7.988 1.00 0.00 C ATOM 582 CG PRO A 62 6.556 -4.934 -8.974 1.00 0.00 C ATOM 583 CD PRO A 62 8.075 -5.070 -9.034 1.00 0.00 C ATOM 0 HA PRO A 62 6.997 -5.348 -6.069 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.973 -6.929 -8.457 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.140 -5.681 -7.551 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.108 -5.108 -9.952 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.264 -3.931 -8.664 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.387 -5.777 -9.803 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.556 -4.119 -9.262 1.00 0.00 H new ATOM 591 N MET A 63 8.048 -8.252 -7.103 1.00 0.00 N ATOM 592 CA MET A 63 8.275 -9.622 -6.656 1.00 0.00 C ATOM 593 C MET A 63 9.593 -10.154 -7.213 1.00 0.00 C ATOM 594 O MET A 63 9.650 -10.627 -8.349 1.00 0.00 O ATOM 595 CB MET A 63 7.125 -10.517 -7.121 1.00 0.00 C ATOM 596 CG MET A 63 7.195 -11.867 -6.401 1.00 0.00 C ATOM 597 SD MET A 63 6.820 -11.639 -4.645 1.00 0.00 S ATOM 598 CE MET A 63 7.086 -13.355 -4.134 1.00 0.00 C ATOM 0 H MET A 63 8.449 -8.030 -8.014 1.00 0.00 H new ATOM 0 HA MET A 63 8.324 -9.628 -5.567 1.00 0.00 H new ATOM 0 HB2 MET A 63 6.170 -10.034 -6.915 1.00 0.00 H new ATOM 0 HB3 MET A 63 7.181 -10.666 -8.199 1.00 0.00 H new ATOM 0 HG2 MET A 63 6.487 -12.565 -6.847 1.00 0.00 H new ATOM 0 HG3 MET A 63 8.188 -12.302 -6.518 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.906 -13.448 -3.063 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.400 -14.006 -4.675 1.00 0.00 H new ATOM 0 HE3 MET A 63 8.113 -13.646 -4.356 1.00 0.00 H new ATOM 608 N GLY A 64 10.647 -10.081 -6.407 1.00 0.00 N ATOM 609 CA GLY A 64 11.955 -10.565 -6.835 1.00 0.00 C ATOM 610 C GLY A 64 13.045 -10.129 -5.861 1.00 0.00 C ATOM 611 O GLY A 64 12.767 -9.487 -4.849 1.00 0.00 O ATOM 0 H GLY A 64 10.623 -9.695 -5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.939 -11.653 -6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.179 -10.184 -7.831 1.00 0.00 H new ATOM 615 N MET A 65 14.285 -10.495 -6.173 1.00 0.00 N ATOM 616 CA MET A 65 15.410 -10.153 -5.308 1.00 0.00 C ATOM 617 C MET A 65 15.547 -8.640 -5.173 1.00 0.00 C ATOM 618 O MET A 65 15.290 -7.893 -6.117 1.00 0.00 O ATOM 619 CB MET A 65 16.706 -10.731 -5.874 1.00 0.00 C ATOM 620 CG MET A 65 16.686 -12.257 -5.770 1.00 0.00 C ATOM 621 SD MET A 65 18.179 -12.929 -6.540 1.00 0.00 S ATOM 622 CE MET A 65 19.354 -12.371 -5.281 1.00 0.00 C ATOM 0 H MET A 65 14.535 -11.023 -7.009 1.00 0.00 H new ATOM 0 HA MET A 65 15.221 -10.580 -4.323 1.00 0.00 H new ATOM 0 HB2 MET A 65 16.824 -10.431 -6.915 1.00 0.00 H new ATOM 0 HB3 MET A 65 17.561 -10.332 -5.328 1.00 0.00 H new ATOM 0 HG2 MET A 65 16.634 -12.561 -4.725 1.00 0.00 H new ATOM 0 HG3 MET A 65 15.799 -12.655 -6.262 1.00 0.00 H new ATOM 0 HE1 MET A 65 20.316 -12.857 -5.441 1.00 0.00 H new ATOM 0 HE2 MET A 65 19.477 -11.290 -5.352 1.00 0.00 H new ATOM 0 HE3 MET A 65 18.977 -12.629 -4.291 1.00 0.00 H new ATOM 632 N TRP A 66 15.948 -8.199 -3.983 1.00 0.00 N ATOM 633 CA TRP A 66 16.112 -6.775 -3.713 1.00 0.00 C ATOM 634 C TRP A 66 17.550 -6.329 -3.949 1.00 0.00 C ATOM 635 O TRP A 66 18.496 -7.084 -3.713 1.00 0.00 O ATOM 636 CB TRP A 66 15.712 -6.458 -2.269 1.00 0.00 C ATOM 637 CG TRP A 66 14.220 -6.391 -2.151 1.00 0.00 C ATOM 638 CD1 TRP A 66 13.336 -6.926 -3.025 1.00 0.00 C ATOM 639 CD2 TRP A 66 13.428 -5.748 -1.111 1.00 0.00 C ATOM 640 NE1 TRP A 66 12.051 -6.654 -2.584 1.00 0.00 N ATOM 641 CE2 TRP A 66 12.056 -5.929 -1.406 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.766 -5.031 0.052 1.00 0.00 C ATOM 643 CZ2 TRP A 66 11.055 -5.416 -0.577 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.764 -4.514 0.886 1.00 0.00 C ATOM 645 CH2 TRP A 66 11.410 -4.707 0.574 1.00 0.00 C ATOM 0 H TRP A 66 16.165 -8.806 -3.193 1.00 0.00 H new ATOM 0 HA TRP A 66 15.463 -6.232 -4.400 1.00 0.00 H new ATOM 0 HB2 TRP A 66 16.104 -7.223 -1.599 1.00 0.00 H new ATOM 0 HB3 TRP A 66 16.152 -5.509 -1.961 1.00 0.00 H new ATOM 0 HD1 TRP A 66 13.590 -7.475 -3.920 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.205 -6.952 -3.069 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.805 -4.878 0.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 10.014 -5.566 -0.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 13.037 -3.964 1.774 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.643 -4.308 1.222 1.00 0.00 H new ATOM 656 N THR A 67 17.703 -5.092 -4.413 1.00 0.00 N ATOM 657 CA THR A 67 19.021 -4.534 -4.681 1.00 0.00 C ATOM 658 C THR A 67 19.318 -3.406 -3.701 1.00 0.00 C ATOM 659 O THR A 67 18.467 -2.552 -3.444 1.00 0.00 O ATOM 660 CB THR A 67 19.087 -4.006 -6.113 1.00 0.00 C ATOM 661 OG1 THR A 67 18.826 -5.068 -7.017 1.00 0.00 O ATOM 662 CG2 THR A 67 20.480 -3.436 -6.381 1.00 0.00 C ATOM 0 H THR A 67 16.929 -4.458 -4.611 1.00 0.00 H new ATOM 0 HA THR A 67 19.767 -5.320 -4.558 1.00 0.00 H new ATOM 0 HB THR A 67 18.343 -3.221 -6.249 1.00 0.00 H new ATOM 0 HG1 THR A 67 19.600 -5.668 -7.049 1.00 0.00 H new ATOM 0 HG21 THR A 67 20.528 -3.059 -7.403 1.00 0.00 H new ATOM 0 HG22 THR A 67 20.680 -2.622 -5.684 1.00 0.00 H new ATOM 0 HG23 THR A 67 21.226 -4.220 -6.248 1.00 0.00 H new ATOM 670 N GLY A 68 20.530 -3.401 -3.158 1.00 0.00 N ATOM 671 CA GLY A 68 20.921 -2.370 -2.206 1.00 0.00 C ATOM 672 C GLY A 68 22.438 -2.278 -2.090 1.00 0.00 C ATOM 673 O GLY A 68 23.171 -2.904 -2.858 1.00 0.00 O ATOM 0 H GLY A 68 21.252 -4.093 -3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.518 -1.408 -2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.491 -2.591 -1.229 1.00 0.00 H new ATOM 677 N MET A 69 22.898 -1.491 -1.126 1.00 0.00 N ATOM 678 CA MET A 69 24.330 -1.316 -0.912 1.00 0.00 C ATOM 679 C MET A 69 24.710 -1.725 0.510 1.00 0.00 C ATOM 680 O MET A 69 24.029 -1.368 1.473 1.00 0.00 O ATOM 681 CB MET A 69 24.721 0.143 -1.150 1.00 0.00 C ATOM 682 CG MET A 69 26.228 0.303 -0.943 1.00 0.00 C ATOM 683 SD MET A 69 26.701 2.019 -1.270 1.00 0.00 S ATOM 684 CE MET A 69 25.936 2.742 0.200 1.00 0.00 C ATOM 0 H MET A 69 22.305 -0.966 -0.483 1.00 0.00 H new ATOM 0 HA MET A 69 24.866 -1.952 -1.617 1.00 0.00 H new ATOM 0 HB2 MET A 69 24.447 0.445 -2.161 1.00 0.00 H new ATOM 0 HB3 MET A 69 24.177 0.794 -0.465 1.00 0.00 H new ATOM 0 HG2 MET A 69 26.497 0.028 0.077 1.00 0.00 H new ATOM 0 HG3 MET A 69 26.771 -0.369 -1.608 1.00 0.00 H new ATOM 0 HE1 MET A 69 26.607 3.485 0.631 1.00 0.00 H new ATOM 0 HE2 MET A 69 24.996 3.219 -0.076 1.00 0.00 H new ATOM 0 HE3 MET A 69 25.744 1.958 0.933 1.00 0.00 H new ATOM 694 N LEU A 70 25.803 -2.471 0.632 1.00 0.00 N ATOM 695 CA LEU A 70 26.275 -2.920 1.936 1.00 0.00 C ATOM 696 C LEU A 70 27.783 -2.727 2.041 1.00 0.00 C ATOM 697 O LEU A 70 28.545 -3.343 1.299 1.00 0.00 O ATOM 698 CB LEU A 70 25.949 -4.408 2.121 1.00 0.00 C ATOM 699 CG LEU A 70 25.864 -4.747 3.616 1.00 0.00 C ATOM 700 CD1 LEU A 70 25.208 -6.127 3.793 1.00 0.00 C ATOM 701 CD2 LEU A 70 27.274 -4.766 4.232 1.00 0.00 C ATOM 0 H LEU A 70 26.377 -2.776 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 70 25.778 -2.334 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 70 25.004 -4.645 1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 70 26.716 -5.018 1.645 1.00 0.00 H new ATOM 0 HG LEU A 70 25.264 -3.989 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 70 25.148 -6.368 4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.205 -6.110 3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 70 25.806 -6.882 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 70 27.204 -5.007 5.293 1.00 0.00 H new ATOM 0 HD22 LEU A 70 27.881 -5.518 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 70 27.737 -3.786 4.112 1.00 0.00 H new ATOM 713 N ASN A 71 28.217 -1.883 2.970 1.00 0.00 N ATOM 714 CA ASN A 71 29.644 -1.655 3.145 1.00 0.00 C ATOM 715 C ASN A 71 30.295 -1.202 1.842 1.00 0.00 C ATOM 716 O ASN A 71 31.287 -1.785 1.404 1.00 0.00 O ATOM 717 CB ASN A 71 30.306 -2.948 3.612 1.00 0.00 C ATOM 718 CG ASN A 71 31.708 -2.658 4.123 1.00 0.00 C ATOM 719 OD1 ASN A 71 31.929 -1.660 4.810 1.00 0.00 O ATOM 720 ND2 ASN A 71 32.675 -3.473 3.818 1.00 0.00 N ATOM 0 H ASN A 71 27.614 -1.355 3.601 1.00 0.00 H new ATOM 0 HA ASN A 71 29.777 -0.869 3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 71 29.710 -3.407 4.401 1.00 0.00 H new ATOM 0 HB3 ASN A 71 30.350 -3.662 2.789 1.00 0.00 H new ATOM 0 HD21 ASN A 71 33.622 -3.287 4.148 1.00 0.00 H new ATOM 0 HD22 ASN A 71 32.486 -4.298 3.249 1.00 0.00 H new ATOM 727 N ASN A 72 29.745 -0.159 1.228 1.00 0.00 N ATOM 728 CA ASN A 72 30.295 0.360 -0.019 1.00 0.00 C ATOM 729 C ASN A 72 30.329 -0.713 -1.101 1.00 0.00 C ATOM 730 O ASN A 72 31.238 -0.739 -1.931 1.00 0.00 O ATOM 731 CB ASN A 72 31.708 0.895 0.220 1.00 0.00 C ATOM 732 CG ASN A 72 31.678 1.975 1.296 1.00 0.00 C ATOM 733 OD1 ASN A 72 32.314 1.831 2.339 1.00 0.00 O ATOM 734 ND2 ASN A 72 30.973 3.056 1.102 1.00 0.00 N ATOM 0 H ASN A 72 28.924 0.340 1.571 1.00 0.00 H new ATOM 0 HA ASN A 72 29.648 1.168 -0.362 1.00 0.00 H new ATOM 0 HB2 ASN A 72 32.367 0.083 0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.113 1.303 -0.706 1.00 0.00 H new ATOM 0 HD21 ASN A 72 30.949 3.784 1.816 1.00 0.00 H new ATOM 0 HD22 ASN A 72 30.447 3.173 0.236 1.00 0.00 H new ATOM 741 N LYS A 73 29.329 -1.588 -1.099 1.00 0.00 N ATOM 742 CA LYS A 73 29.257 -2.642 -2.102 1.00 0.00 C ATOM 743 C LYS A 73 27.815 -2.812 -2.573 1.00 0.00 C ATOM 744 O LYS A 73 26.939 -3.171 -1.791 1.00 0.00 O ATOM 745 CB LYS A 73 29.772 -3.956 -1.507 1.00 0.00 C ATOM 746 CG LYS A 73 29.820 -5.026 -2.596 1.00 0.00 C ATOM 747 CD LYS A 73 30.371 -6.325 -2.005 1.00 0.00 C ATOM 748 CE LYS A 73 30.434 -7.394 -3.094 1.00 0.00 C ATOM 749 NZ LYS A 73 30.979 -8.655 -2.516 1.00 0.00 N ATOM 0 H LYS A 73 28.566 -1.589 -0.422 1.00 0.00 H new ATOM 0 HA LYS A 73 29.878 -2.369 -2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 73 30.765 -3.810 -1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 73 29.122 -4.279 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 73 28.822 -5.192 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 73 30.449 -4.693 -3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 73 31.364 -6.155 -1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 73 29.736 -6.662 -1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 73 29.440 -7.569 -3.506 1.00 0.00 H new ATOM 0 HE3 LYS A 73 31.064 -7.055 -3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 31.023 -9.385 -3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 31.934 -8.482 -2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 30.360 -8.980 -1.746 1.00 0.00 H new ATOM 763 N VAL A 74 27.567 -2.556 -3.852 1.00 0.00 N ATOM 764 CA VAL A 74 26.216 -2.687 -4.395 1.00 0.00 C ATOM 765 C VAL A 74 26.027 -4.054 -5.037 1.00 0.00 C ATOM 766 O VAL A 74 26.847 -4.489 -5.845 1.00 0.00 O ATOM 767 CB VAL A 74 25.948 -1.589 -5.428 1.00 0.00 C ATOM 768 CG1 VAL A 74 24.549 -1.777 -6.022 1.00 0.00 C ATOM 769 CG2 VAL A 74 26.034 -0.219 -4.753 1.00 0.00 C ATOM 0 H VAL A 74 28.272 -2.260 -4.527 1.00 0.00 H new ATOM 0 HA VAL A 74 25.508 -2.583 -3.573 1.00 0.00 H new ATOM 0 HB VAL A 74 26.692 -1.650 -6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 74 24.358 -0.995 -6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 74 24.487 -2.752 -6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 74 23.805 -1.717 -5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 74 25.843 0.562 -5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 74 25.291 -0.158 -3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 74 27.029 -0.084 -4.330 1.00 0.00 H new ATOM 779 N GLY A 75 24.946 -4.732 -4.668 1.00 0.00 N ATOM 780 CA GLY A 75 24.670 -6.055 -5.215 1.00 0.00 C ATOM 781 C GLY A 75 23.234 -6.484 -4.932 1.00 0.00 C ATOM 782 O GLY A 75 22.430 -5.706 -4.414 1.00 0.00 O ATOM 0 H GLY A 75 24.254 -4.392 -4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 75 24.845 -6.050 -6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 75 25.360 -6.780 -4.784 1.00 0.00 H new ATOM 786 N ASN A 76 22.916 -7.728 -5.283 1.00 0.00 N ATOM 787 CA ASN A 76 21.572 -8.255 -5.074 1.00 0.00 C ATOM 788 C ASN A 76 21.562 -9.296 -3.954 1.00 0.00 C ATOM 789 O ASN A 76 22.586 -9.906 -3.646 1.00 0.00 O ATOM 790 CB ASN A 76 21.057 -8.889 -6.369 1.00 0.00 C ATOM 791 CG ASN A 76 21.146 -7.883 -7.514 1.00 0.00 C ATOM 792 OD1 ASN A 76 20.075 -7.241 -7.895 1.00 0.00 O flip ATOM 793 ND2 ASN A 76 22.220 -7.683 -8.082 1.00 0.00 N flip ATOM 0 H ASN A 76 23.567 -8.386 -5.711 1.00 0.00 H new ATOM 0 HA ASN A 76 20.921 -7.430 -4.785 1.00 0.00 H new ATOM 0 HB2 ASN A 76 21.643 -9.777 -6.607 1.00 0.00 H new ATOM 0 HB3 ASN A 76 20.025 -9.214 -6.239 1.00 0.00 H new ATOM 0 HD21 ASN A 76 23.056 -8.185 -7.783 1.00 0.00 H new ATOM 0 HD22 ASN A 76 22.274 -7.015 -8.851 1.00 0.00 H new ATOM 800 N PHE A 77 20.393 -9.488 -3.353 1.00 0.00 N ATOM 801 CA PHE A 77 20.242 -10.453 -2.269 1.00 0.00 C ATOM 802 C PHE A 77 18.786 -10.894 -2.124 1.00 0.00 C ATOM 803 O PHE A 77 17.867 -10.217 -2.596 1.00 0.00 O ATOM 804 CB PHE A 77 20.741 -9.841 -0.958 1.00 0.00 C ATOM 805 CG PHE A 77 20.130 -8.475 -0.778 1.00 0.00 C ATOM 806 CD1 PHE A 77 18.896 -8.333 -0.135 1.00 0.00 C ATOM 807 CD2 PHE A 77 20.805 -7.346 -1.259 1.00 0.00 C ATOM 808 CE1 PHE A 77 18.336 -7.059 0.026 1.00 0.00 C ATOM 809 CE2 PHE A 77 20.245 -6.075 -1.097 1.00 0.00 C ATOM 810 CZ PHE A 77 19.012 -5.930 -0.454 1.00 0.00 C ATOM 0 H PHE A 77 19.537 -8.989 -3.597 1.00 0.00 H new ATOM 0 HA PHE A 77 20.838 -11.334 -2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 77 20.474 -10.484 -0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 77 21.828 -9.766 -0.969 1.00 0.00 H new ATOM 0 HD1 PHE A 77 18.376 -9.204 0.237 1.00 0.00 H new ATOM 0 HD2 PHE A 77 21.758 -7.457 -1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.382 -6.947 0.521 1.00 0.00 H new ATOM 0 HE2 PHE A 77 20.765 -5.205 -1.469 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.581 -4.948 -0.327 1.00 0.00 H new ATOM 820 N LYS A 78 18.580 -12.036 -1.473 1.00 0.00 N ATOM 821 CA LYS A 78 17.231 -12.548 -1.287 1.00 0.00 C ATOM 822 C LYS A 78 16.455 -11.700 -0.287 1.00 0.00 C ATOM 823 O LYS A 78 16.816 -11.608 0.885 1.00 0.00 O ATOM 824 CB LYS A 78 17.283 -13.996 -0.794 1.00 0.00 C ATOM 825 CG LYS A 78 17.744 -14.910 -1.928 1.00 0.00 C ATOM 826 CD LYS A 78 17.791 -16.357 -1.428 1.00 0.00 C ATOM 827 CE LYS A 78 18.241 -17.279 -2.563 1.00 0.00 C ATOM 828 NZ LYS A 78 18.285 -18.687 -2.071 1.00 0.00 N ATOM 0 H LYS A 78 19.319 -12.614 -1.072 1.00 0.00 H new ATOM 0 HA LYS A 78 16.720 -12.506 -2.249 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.965 -14.078 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.299 -14.306 -0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.063 -14.828 -2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 78 18.729 -14.603 -2.280 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.478 -16.439 -0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.808 -16.660 -1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.554 -17.198 -3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 78 19.225 -16.977 -2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.591 -19.315 -2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.957 -18.758 -1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.338 -18.972 -1.748 1.00 0.00 H new ATOM 842 N PHE A 79 15.376 -11.094 -0.763 1.00 0.00 N ATOM 843 CA PHE A 79 14.539 -10.261 0.091 1.00 0.00 C ATOM 844 C PHE A 79 13.917 -11.094 1.205 1.00 0.00 C ATOM 845 O PHE A 79 13.669 -10.592 2.301 1.00 0.00 O ATOM 846 CB PHE A 79 13.445 -9.588 -0.741 1.00 0.00 C ATOM 847 CG PHE A 79 12.552 -10.639 -1.358 1.00 0.00 C ATOM 848 CD1 PHE A 79 11.395 -11.067 -0.697 1.00 0.00 C ATOM 849 CD2 PHE A 79 12.888 -11.184 -2.601 1.00 0.00 C ATOM 850 CE1 PHE A 79 10.576 -12.042 -1.285 1.00 0.00 C ATOM 851 CE2 PHE A 79 12.075 -12.156 -3.188 1.00 0.00 C ATOM 852 CZ PHE A 79 10.918 -12.587 -2.531 1.00 0.00 C ATOM 0 H PHE A 79 15.060 -11.162 -1.731 1.00 0.00 H new ATOM 0 HA PHE A 79 15.162 -9.490 0.544 1.00 0.00 H new ATOM 0 HB2 PHE A 79 12.856 -8.921 -0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.895 -8.975 -1.522 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.134 -10.648 0.263 1.00 0.00 H new ATOM 0 HD2 PHE A 79 13.781 -10.852 -3.110 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.682 -12.373 -0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 79 12.339 -12.574 -4.148 1.00 0.00 H new ATOM 0 HZ PHE A 79 10.288 -13.339 -2.983 1.00 0.00 H new ATOM 862 N ILE A 80 13.675 -12.371 0.928 1.00 0.00 N ATOM 863 CA ILE A 80 13.095 -13.261 1.926 1.00 0.00 C ATOM 864 C ILE A 80 14.026 -13.400 3.135 1.00 0.00 C ATOM 865 O ILE A 80 13.599 -13.808 4.215 1.00 0.00 O ATOM 866 CB ILE A 80 12.840 -14.639 1.310 1.00 0.00 C ATOM 867 CG1 ILE A 80 14.127 -15.159 0.671 1.00 0.00 C ATOM 868 CG2 ILE A 80 11.760 -14.529 0.232 1.00 0.00 C ATOM 869 CD1 ILE A 80 14.020 -16.668 0.452 1.00 0.00 C ATOM 0 H ILE A 80 13.870 -12.810 0.028 1.00 0.00 H new ATOM 0 HA ILE A 80 12.150 -12.833 2.262 1.00 0.00 H new ATOM 0 HB ILE A 80 12.511 -15.324 2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.302 -14.655 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 80 14.979 -14.934 1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.581 -15.511 -0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.838 -14.156 0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 80 12.091 -13.841 -0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 80 14.939 -17.036 -0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 80 13.866 -17.165 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.178 -16.881 -0.207 1.00 0.00 H new ATOM 881 N TYR A 81 15.295 -13.049 2.944 1.00 0.00 N ATOM 882 CA TYR A 81 16.282 -13.126 4.018 1.00 0.00 C ATOM 883 C TYR A 81 16.529 -11.746 4.633 1.00 0.00 C ATOM 884 O TYR A 81 17.375 -11.593 5.521 1.00 0.00 O ATOM 885 CB TYR A 81 17.592 -13.680 3.451 1.00 0.00 C ATOM 886 CG TYR A 81 17.443 -15.144 3.066 1.00 0.00 C ATOM 887 CD1 TYR A 81 16.258 -15.858 3.334 1.00 0.00 C ATOM 888 CD2 TYR A 81 18.500 -15.786 2.412 1.00 0.00 C ATOM 889 CE1 TYR A 81 16.145 -17.200 2.950 1.00 0.00 C ATOM 890 CE2 TYR A 81 18.385 -17.128 2.032 1.00 0.00 C ATOM 891 CZ TYR A 81 17.208 -17.835 2.299 1.00 0.00 C ATOM 892 OH TYR A 81 17.094 -19.159 1.923 1.00 0.00 O ATOM 0 H TYR A 81 15.664 -12.709 2.056 1.00 0.00 H new ATOM 0 HA TYR A 81 15.903 -13.784 4.800 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.889 -13.099 2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.386 -13.574 4.190 1.00 0.00 H new ATOM 0 HD1 TYR A 81 15.436 -15.370 3.836 1.00 0.00 H new ATOM 0 HD2 TYR A 81 19.409 -15.243 2.199 1.00 0.00 H new ATOM 0 HE1 TYR A 81 15.236 -17.745 3.157 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.207 -17.619 1.532 1.00 0.00 H new ATOM 0 HH TYR A 81 17.921 -19.446 1.482 1.00 0.00 H new ATOM 902 N VAL A 82 15.783 -10.744 4.169 1.00 0.00 N ATOM 903 CA VAL A 82 15.931 -9.394 4.686 1.00 0.00 C ATOM 904 C VAL A 82 14.560 -8.807 5.003 1.00 0.00 C ATOM 905 O VAL A 82 13.541 -9.278 4.497 1.00 0.00 O ATOM 906 CB VAL A 82 16.638 -8.513 3.654 1.00 0.00 C ATOM 907 CG1 VAL A 82 15.602 -7.868 2.727 1.00 0.00 C ATOM 908 CG2 VAL A 82 17.436 -7.426 4.378 1.00 0.00 C ATOM 0 H VAL A 82 15.076 -10.845 3.441 1.00 0.00 H new ATOM 0 HA VAL A 82 16.528 -9.429 5.597 1.00 0.00 H new ATOM 0 HB VAL A 82 17.316 -9.123 3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 82 16.110 -7.242 1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 82 15.040 -8.647 2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.918 -7.256 3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 82 17.941 -6.796 3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 82 16.760 -6.815 4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 82 18.177 -7.891 5.029 1.00 0.00 H new ATOM 918 N ASP A 83 14.540 -7.782 5.842 1.00 0.00 N ATOM 919 CA ASP A 83 13.287 -7.144 6.216 1.00 0.00 C ATOM 920 C ASP A 83 13.366 -5.640 5.992 1.00 0.00 C ATOM 921 O ASP A 83 14.414 -5.026 6.190 1.00 0.00 O ATOM 922 CB ASP A 83 12.969 -7.427 7.682 1.00 0.00 C ATOM 923 CG ASP A 83 11.613 -6.831 8.040 1.00 0.00 C ATOM 924 OD1 ASP A 83 10.616 -7.359 7.574 1.00 0.00 O ATOM 925 OD2 ASP A 83 11.590 -5.855 8.769 1.00 0.00 O ATOM 0 H ASP A 83 15.370 -7.377 6.274 1.00 0.00 H new ATOM 0 HA ASP A 83 12.494 -7.553 5.590 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.963 -8.502 7.861 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.743 -7.002 8.320 1.00 0.00 H new ATOM 930 N VAL A 84 12.250 -5.053 5.580 1.00 0.00 N ATOM 931 CA VAL A 84 12.204 -3.614 5.333 1.00 0.00 C ATOM 932 C VAL A 84 11.715 -2.872 6.574 1.00 0.00 C ATOM 933 O VAL A 84 10.679 -3.210 7.145 1.00 0.00 O ATOM 934 CB VAL A 84 11.294 -3.298 4.136 1.00 0.00 C ATOM 935 CG1 VAL A 84 9.997 -4.110 4.222 1.00 0.00 C ATOM 936 CG2 VAL A 84 10.953 -1.806 4.141 1.00 0.00 C ATOM 0 H VAL A 84 11.372 -5.543 5.411 1.00 0.00 H new ATOM 0 HA VAL A 84 13.214 -3.278 5.100 1.00 0.00 H new ATOM 0 HB VAL A 84 11.817 -3.561 3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.363 -3.875 3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.233 -5.174 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.471 -3.859 5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.307 -1.578 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.438 -1.554 5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.871 -1.223 4.066 1.00 0.00 H new ATOM 946 N ILE A 85 12.477 -1.859 6.983 1.00 0.00 N ATOM 947 CA ILE A 85 12.122 -1.069 8.158 1.00 0.00 C ATOM 948 C ILE A 85 12.114 0.420 7.826 1.00 0.00 C ATOM 949 O ILE A 85 12.738 0.855 6.858 1.00 0.00 O ATOM 950 CB ILE A 85 13.115 -1.335 9.294 1.00 0.00 C ATOM 951 CG1 ILE A 85 14.534 -0.971 8.841 1.00 0.00 C ATOM 952 CG2 ILE A 85 13.071 -2.815 9.677 1.00 0.00 C ATOM 953 CD1 ILE A 85 15.475 -0.986 10.048 1.00 0.00 C ATOM 0 H ILE A 85 13.339 -1.568 6.521 1.00 0.00 H new ATOM 0 HA ILE A 85 11.122 -1.364 8.475 1.00 0.00 H new ATOM 0 HB ILE A 85 12.843 -0.725 10.155 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.880 -1.679 8.088 1.00 0.00 H new ATOM 0 HG13 ILE A 85 14.537 0.015 8.376 1.00 0.00 H new ATOM 0 HG21 ILE A 85 13.778 -3.003 10.485 1.00 0.00 H new ATOM 0 HG22 ILE A 85 12.065 -3.076 10.007 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.338 -3.423 8.813 1.00 0.00 H new ATOM 0 HD11 ILE A 85 16.484 -0.727 9.726 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.132 -0.260 10.786 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.480 -1.981 10.493 1.00 0.00 H new ATOM 965 N SER A 86 11.407 1.197 8.641 1.00 0.00 N ATOM 966 CA SER A 86 11.330 2.637 8.428 1.00 0.00 C ATOM 967 C SER A 86 12.667 3.297 8.747 1.00 0.00 C ATOM 968 O SER A 86 13.375 2.877 9.664 1.00 0.00 O ATOM 969 CB SER A 86 10.238 3.238 9.315 1.00 0.00 C ATOM 970 OG SER A 86 8.974 2.718 8.920 1.00 0.00 O ATOM 0 H SER A 86 10.884 0.857 9.448 1.00 0.00 H new ATOM 0 HA SER A 86 11.088 2.819 7.381 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.431 3.001 10.361 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.240 4.325 9.229 1.00 0.00 H new ATOM 0 HG SER A 86 8.272 3.099 9.487 1.00 0.00 H new ATOM 976 N GLU A 87 13.005 4.334 7.988 1.00 0.00 N ATOM 977 CA GLU A 87 14.258 5.048 8.200 1.00 0.00 C ATOM 978 C GLU A 87 15.442 4.088 8.128 1.00 0.00 C ATOM 979 O GLU A 87 16.460 4.389 8.729 1.00 0.00 O ATOM 980 CB GLU A 87 14.239 5.736 9.566 1.00 0.00 C ATOM 981 CG GLU A 87 13.130 6.789 9.588 1.00 0.00 C ATOM 982 CD GLU A 87 13.088 7.473 10.951 1.00 0.00 C ATOM 983 OE1 GLU A 87 13.817 7.045 11.830 1.00 0.00 O ATOM 984 OE2 GLU A 87 12.327 8.416 11.094 1.00 0.00 O ATOM 0 H GLU A 87 12.433 4.697 7.225 1.00 0.00 H new ATOM 0 HA GLU A 87 14.366 5.797 7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.074 5.001 10.354 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.204 6.203 9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 87 13.303 7.528 8.806 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.168 6.321 9.377 1.00 0.00 H new TER 991 GLU A 87