USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 49:sc= 0.422 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -6.3! C(o=-6.3!,f=-4!) USER MOD Single : A 52 SER OG : rot 52:sc= 0.425 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -1.47 X(o=-1.5,f=-1.7!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 61 LYS NZ :NH3+ -117:sc= -0.186 (180deg=-1.33) USER MOD Single : A 68 ASN : amide:sc= -4.07 X(o=-4.1,f=-4.2) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 153:sc= -0.374 (180deg=-2.51!) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 83 THR OG1 : rot 67:sc= -0.949 USER MOD Single : B 84 LYS NZ :NH3+ -142:sc= -0.209 (180deg=-1.22) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 16 -12.388 -11.356 7.639 1.00 0.00 N ATOM 2 CA GLY A 16 -11.145 -10.707 7.136 1.00 0.00 C ATOM 3 C GLY A 16 -11.326 -10.098 5.759 1.00 0.00 C ATOM 4 O GLY A 16 -11.155 -10.776 4.746 1.00 0.00 O ATOM 0 HA2 GLY A 16 -10.835 -9.931 7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.342 -11.444 7.102 1.00 0.00 H new ATOM 10 N ARG A 17 -11.672 -8.815 5.723 1.00 0.00 N ATOM 11 CA ARG A 17 -11.876 -8.112 4.459 1.00 0.00 C ATOM 12 C ARG A 17 -11.133 -6.784 4.452 1.00 0.00 C ATOM 13 O ARG A 17 -11.642 -5.773 3.967 1.00 0.00 O ATOM 14 CB ARG A 17 -13.367 -7.882 4.205 1.00 0.00 C ATOM 15 CG ARG A 17 -14.232 -8.134 5.426 1.00 0.00 C ATOM 16 CD ARG A 17 -15.432 -9.006 5.090 1.00 0.00 C ATOM 17 NE ARG A 17 -15.533 -10.162 5.976 1.00 0.00 N ATOM 18 CZ ARG A 17 -16.671 -10.573 6.529 1.00 0.00 C ATOM 19 NH1 ARG A 17 -17.803 -9.924 6.290 1.00 0.00 N ATOM 20 NH2 ARG A 17 -16.677 -11.635 7.323 1.00 0.00 N ATOM 0 H ARG A 17 -11.817 -8.241 6.553 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.477 -8.736 3.659 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.517 -6.856 3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.695 -8.534 3.396 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.637 -8.616 6.201 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.575 -7.183 5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.343 -8.412 5.163 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -15.355 -9.346 4.057 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.682 -10.685 6.183 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.803 -9.106 5.680 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.673 -10.243 6.716 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.809 -12.137 7.510 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.550 -11.950 7.747 1.00 0.00 H new ATOM 34 N VAL A 18 -9.921 -6.800 4.989 1.00 0.00 N ATOM 35 CA VAL A 18 -9.091 -5.601 5.045 1.00 0.00 C ATOM 36 C VAL A 18 -8.074 -5.594 3.908 1.00 0.00 C ATOM 37 O VAL A 18 -6.878 -5.786 4.127 1.00 0.00 O ATOM 38 CB VAL A 18 -8.344 -5.476 6.391 1.00 0.00 C ATOM 39 CG1 VAL A 18 -8.780 -4.222 7.130 1.00 0.00 C ATOM 40 CG2 VAL A 18 -8.564 -6.707 7.255 1.00 0.00 C ATOM 0 H VAL A 18 -9.489 -7.631 5.393 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.764 -4.749 4.943 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.278 -5.400 6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.243 -4.152 8.076 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.559 -3.345 6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.852 -4.268 7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.027 -6.592 8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.629 -6.824 7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.195 -7.589 6.732 1.00 0.00 H new ATOM 50 N ARG A 19 -8.561 -5.371 2.691 1.00 0.00 N ATOM 51 CA ARG A 19 -7.699 -5.339 1.515 1.00 0.00 C ATOM 52 C ARG A 19 -7.760 -3.973 0.841 1.00 0.00 C ATOM 53 O ARG A 19 -8.075 -3.866 -0.342 1.00 0.00 O ATOM 54 CB ARG A 19 -8.110 -6.432 0.526 1.00 0.00 C ATOM 55 CG ARG A 19 -9.613 -6.568 0.353 1.00 0.00 C ATOM 56 CD ARG A 19 -9.980 -7.899 -0.281 1.00 0.00 C ATOM 57 NE ARG A 19 -11.361 -7.919 -0.756 1.00 0.00 N ATOM 58 CZ ARG A 19 -12.266 -8.801 -0.346 1.00 0.00 C ATOM 59 NH1 ARG A 19 -11.940 -9.726 0.548 1.00 0.00 N ATOM 60 NH2 ARG A 19 -13.501 -8.758 -0.827 1.00 0.00 N ATOM 0 H ARG A 19 -9.549 -5.210 2.494 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.674 -5.521 1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.660 -6.220 -0.444 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.705 -7.386 0.864 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.102 -6.478 1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.985 -5.753 -0.268 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.307 -8.101 -1.115 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.835 -8.698 0.446 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.646 -7.218 -1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.992 -9.761 0.923 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.637 -10.402 0.860 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.757 -8.047 -1.512 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.195 -9.436 -0.512 1.00 0.00 H new ATOM 74 N TRP A 20 -7.469 -2.930 1.614 1.00 0.00 N ATOM 75 CA TRP A 20 -7.494 -1.562 1.116 1.00 0.00 C ATOM 76 C TRP A 20 -6.344 -0.763 1.710 1.00 0.00 C ATOM 77 O TRP A 20 -5.807 -1.129 2.752 1.00 0.00 O ATOM 78 CB TRP A 20 -8.840 -0.915 1.444 1.00 0.00 C ATOM 79 CG TRP A 20 -9.961 -1.598 0.743 1.00 0.00 C ATOM 80 CD1 TRP A 20 -10.644 -2.695 1.176 1.00 0.00 C ATOM 81 CD2 TRP A 20 -10.507 -1.252 -0.533 1.00 0.00 C ATOM 82 NE1 TRP A 20 -11.582 -3.060 0.238 1.00 0.00 N ATOM 83 CE2 TRP A 20 -11.517 -2.185 -0.820 1.00 0.00 C ATOM 84 CE3 TRP A 20 -10.236 -0.243 -1.460 1.00 0.00 C ATOM 85 CZ2 TRP A 20 -12.256 -2.138 -1.999 1.00 0.00 C ATOM 86 CZ3 TRP A 20 -10.972 -0.196 -2.628 1.00 0.00 C ATOM 87 CH2 TRP A 20 -11.970 -1.140 -2.889 1.00 0.00 C ATOM 0 H TRP A 20 -7.211 -3.011 2.597 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.372 -1.572 0.033 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -9.008 -0.949 2.520 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.818 0.137 1.158 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.474 -3.202 2.115 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -12.221 -3.851 0.315 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -9.464 0.488 -1.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -13.028 -2.865 -2.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -10.774 0.582 -3.351 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -12.526 -1.080 -3.813 1.00 0.00 H new ATOM 98 N ALA A 21 -5.947 0.310 1.039 1.00 0.00 N ATOM 99 CA ALA A 21 -4.857 1.133 1.522 1.00 0.00 C ATOM 100 C ALA A 21 -5.235 2.603 1.483 1.00 0.00 C ATOM 101 O ALA A 21 -5.243 3.224 0.420 1.00 0.00 O ATOM 102 CB ALA A 21 -3.607 0.892 0.693 1.00 0.00 C ATOM 0 H ALA A 21 -6.364 0.626 0.163 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.653 0.857 2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.796 1.517 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.319 -0.157 0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.807 1.143 -0.349 1.00 0.00 H new ATOM 108 N ARG A 22 -5.522 3.166 2.649 1.00 0.00 N ATOM 109 CA ARG A 22 -5.867 4.571 2.732 1.00 0.00 C ATOM 110 C ARG A 22 -4.693 5.338 3.306 1.00 0.00 C ATOM 111 O ARG A 22 -4.351 5.197 4.484 1.00 0.00 O ATOM 112 CB ARG A 22 -7.128 4.783 3.576 1.00 0.00 C ATOM 113 CG ARG A 22 -7.255 6.181 4.164 1.00 0.00 C ATOM 114 CD ARG A 22 -8.256 6.215 5.307 1.00 0.00 C ATOM 115 NE ARG A 22 -7.780 5.479 6.475 1.00 0.00 N ATOM 116 CZ ARG A 22 -8.138 5.764 7.725 1.00 0.00 C ATOM 117 NH1 ARG A 22 -8.975 6.763 7.969 1.00 0.00 N ATOM 118 NH2 ARG A 22 -7.657 5.047 8.732 1.00 0.00 N ATOM 0 H ARG A 22 -5.522 2.673 3.542 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.085 4.944 1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.003 4.579 2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.134 4.057 4.389 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.281 6.516 4.521 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.566 6.878 3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.452 7.250 5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.203 5.791 4.972 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.136 4.702 6.324 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.347 7.317 7.197 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.247 6.978 8.928 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.013 4.278 8.548 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.931 5.265 9.690 1.00 0.00 H new ATOM 132 N ALA A 23 -4.065 6.128 2.452 1.00 0.00 N ATOM 133 CA ALA A 23 -2.904 6.907 2.844 1.00 0.00 C ATOM 134 C ALA A 23 -3.293 8.171 3.592 1.00 0.00 C ATOM 135 O ALA A 23 -4.110 8.959 3.121 1.00 0.00 O ATOM 136 CB ALA A 23 -2.072 7.255 1.619 1.00 0.00 C ATOM 0 H ALA A 23 -4.342 6.247 1.478 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.311 6.296 3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.204 7.839 1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.740 6.338 1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.675 7.837 0.923 1.00 0.00 H new ATOM 142 N LEU A 24 -2.674 8.361 4.753 1.00 0.00 N ATOM 143 CA LEU A 24 -2.915 9.539 5.574 1.00 0.00 C ATOM 144 C LEU A 24 -1.800 10.547 5.327 1.00 0.00 C ATOM 145 O LEU A 24 -1.915 11.729 5.650 1.00 0.00 O ATOM 146 CB LEU A 24 -2.973 9.157 7.057 1.00 0.00 C ATOM 147 CG LEU A 24 -3.716 7.853 7.366 1.00 0.00 C ATOM 148 CD1 LEU A 24 -3.734 7.593 8.865 1.00 0.00 C ATOM 149 CD2 LEU A 24 -5.134 7.898 6.817 1.00 0.00 C ATOM 0 H LEU A 24 -1.997 7.708 5.147 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.874 9.981 5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.954 9.074 7.435 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.451 9.968 7.606 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.186 7.034 6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.266 6.663 9.067 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.711 7.513 9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.238 8.416 9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.643 6.962 7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.675 8.727 7.273 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.102 8.037 5.736 1.00 0.00 H new ATOM 161 N TYR A 25 -0.723 10.045 4.731 1.00 0.00 N ATOM 162 CA TYR A 25 0.444 10.847 4.392 1.00 0.00 C ATOM 163 C TYR A 25 0.984 10.405 3.037 1.00 0.00 C ATOM 164 O TYR A 25 0.447 9.479 2.427 1.00 0.00 O ATOM 165 CB TYR A 25 1.543 10.715 5.455 1.00 0.00 C ATOM 166 CG TYR A 25 1.088 10.081 6.752 1.00 0.00 C ATOM 167 CD1 TYR A 25 1.020 8.700 6.887 1.00 0.00 C ATOM 168 CD2 TYR A 25 0.735 10.865 7.843 1.00 0.00 C ATOM 169 CE1 TYR A 25 0.611 8.118 8.072 1.00 0.00 C ATOM 170 CE2 TYR A 25 0.328 10.291 9.031 1.00 0.00 C ATOM 171 CZ TYR A 25 0.266 8.918 9.141 1.00 0.00 C ATOM 172 OH TYR A 25 -0.139 8.343 10.322 1.00 0.00 O ATOM 0 H TYR A 25 -0.636 9.063 4.469 1.00 0.00 H new ATOM 0 HA TYR A 25 0.140 11.893 4.351 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.360 10.123 5.043 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.944 11.706 5.670 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.291 8.071 6.052 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.780 11.941 7.761 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.562 7.043 8.160 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.059 10.915 9.871 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.345 9.045 10.974 1.00 0.00 H new ATOM 182 N ASP A 26 2.037 11.068 2.568 1.00 0.00 N ATOM 183 CA ASP A 26 2.643 10.736 1.279 1.00 0.00 C ATOM 184 C ASP A 26 2.952 9.240 1.173 1.00 0.00 C ATOM 185 O ASP A 26 2.680 8.464 2.088 1.00 0.00 O ATOM 186 CB ASP A 26 3.926 11.543 1.073 1.00 0.00 C ATOM 187 CG ASP A 26 3.946 12.262 -0.262 1.00 0.00 C ATOM 188 OD1 ASP A 26 3.975 11.575 -1.305 1.00 0.00 O ATOM 189 OD2 ASP A 26 3.933 13.510 -0.263 1.00 0.00 O ATOM 0 H ASP A 26 2.490 11.838 3.060 1.00 0.00 H new ATOM 0 HA ASP A 26 1.924 10.991 0.501 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.027 12.272 1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.786 10.876 1.137 1.00 0.00 H new ATOM 194 N PHE A 27 3.512 8.842 0.037 1.00 0.00 N ATOM 195 CA PHE A 27 3.843 7.443 -0.214 1.00 0.00 C ATOM 196 C PHE A 27 5.334 7.163 -0.011 1.00 0.00 C ATOM 197 O PHE A 27 6.179 8.019 -0.275 1.00 0.00 O ATOM 198 CB PHE A 27 3.443 7.074 -1.640 1.00 0.00 C ATOM 199 CG PHE A 27 4.336 7.680 -2.684 1.00 0.00 C ATOM 200 CD1 PHE A 27 4.108 8.963 -3.153 1.00 0.00 C ATOM 201 CD2 PHE A 27 5.406 6.965 -3.193 1.00 0.00 C ATOM 202 CE1 PHE A 27 4.931 9.522 -4.111 1.00 0.00 C ATOM 203 CE2 PHE A 27 6.232 7.518 -4.152 1.00 0.00 C ATOM 204 CZ PHE A 27 5.995 8.799 -4.611 1.00 0.00 C ATOM 0 H PHE A 27 3.748 9.472 -0.730 1.00 0.00 H new ATOM 0 HA PHE A 27 3.291 6.835 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.458 5.989 -1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.417 7.397 -1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.277 9.533 -2.765 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.597 5.964 -2.836 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.742 10.524 -4.468 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.063 6.949 -4.543 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.641 9.234 -5.359 1.00 0.00 H new ATOM 214 N GLU A 28 5.642 5.956 0.465 1.00 0.00 N ATOM 215 CA GLU A 28 7.024 5.551 0.710 1.00 0.00 C ATOM 216 C GLU A 28 7.580 4.724 -0.441 1.00 0.00 C ATOM 217 O GLU A 28 8.652 4.127 -0.317 1.00 0.00 O ATOM 218 CB GLU A 28 7.119 4.728 1.991 1.00 0.00 C ATOM 219 CG GLU A 28 6.504 5.408 3.199 1.00 0.00 C ATOM 220 CD GLU A 28 7.534 5.763 4.253 1.00 0.00 C ATOM 221 OE1 GLU A 28 8.116 6.865 4.167 1.00 0.00 O ATOM 222 OE2 GLU A 28 7.757 4.941 5.167 1.00 0.00 O ATOM 0 H GLU A 28 4.950 5.241 0.689 1.00 0.00 H new ATOM 0 HA GLU A 28 7.612 6.464 0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.625 3.769 1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.168 4.516 2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.989 6.314 2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.752 4.752 3.637 1.00 0.00 H new ATOM 229 N ALA A 29 6.857 4.672 -1.550 1.00 0.00 N ATOM 230 CA ALA A 29 7.307 3.894 -2.694 1.00 0.00 C ATOM 231 C ALA A 29 8.528 4.533 -3.344 1.00 0.00 C ATOM 232 O ALA A 29 8.417 5.513 -4.079 1.00 0.00 O ATOM 233 CB ALA A 29 6.183 3.738 -3.708 1.00 0.00 C ATOM 0 H ALA A 29 5.967 5.153 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 29 7.593 2.904 -2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.537 3.153 -4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.341 3.227 -3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.865 4.722 -4.053 1.00 0.00 H new ATOM 239 N LEU A 30 9.695 3.961 -3.070 1.00 0.00 N ATOM 240 CA LEU A 30 10.944 4.462 -3.629 1.00 0.00 C ATOM 241 C LEU A 30 11.369 3.603 -4.810 1.00 0.00 C ATOM 242 O LEU A 30 12.217 3.998 -5.611 1.00 0.00 O ATOM 243 CB LEU A 30 12.045 4.469 -2.563 1.00 0.00 C ATOM 244 CG LEU A 30 11.574 4.788 -1.142 1.00 0.00 C ATOM 245 CD1 LEU A 30 12.629 4.379 -0.125 1.00 0.00 C ATOM 246 CD2 LEU A 30 11.250 6.268 -1.007 1.00 0.00 C ATOM 0 H LEU A 30 9.802 3.148 -2.463 1.00 0.00 H new ATOM 0 HA LEU A 30 10.785 5.485 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.529 3.493 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.802 5.199 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 30 10.667 4.217 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.276 4.614 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.814 3.308 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.553 4.922 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.917 6.476 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.141 6.857 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.460 6.533 -1.709 1.00 0.00 H new ATOM 258 N GLU A 31 10.765 2.424 -4.910 1.00 0.00 N ATOM 259 CA GLU A 31 11.072 1.496 -5.995 1.00 0.00 C ATOM 260 C GLU A 31 10.034 1.599 -7.108 1.00 0.00 C ATOM 261 O GLU A 31 8.978 2.205 -6.932 1.00 0.00 O ATOM 262 CB GLU A 31 11.136 0.061 -5.472 1.00 0.00 C ATOM 263 CG GLU A 31 12.547 -0.411 -5.158 1.00 0.00 C ATOM 264 CD GLU A 31 13.287 -0.905 -6.386 1.00 0.00 C ATOM 265 OE1 GLU A 31 12.777 -0.706 -7.510 1.00 0.00 O ATOM 266 OE2 GLU A 31 14.377 -1.493 -6.225 1.00 0.00 O ATOM 0 H GLU A 31 10.060 2.087 -4.254 1.00 0.00 H new ATOM 0 HA GLU A 31 12.046 1.766 -6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.527 -0.016 -4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.695 -0.607 -6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.107 0.408 -4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.502 -1.212 -4.420 1.00 0.00 H new ATOM 273 N GLU A 32 10.346 1.003 -8.257 1.00 0.00 N ATOM 274 CA GLU A 32 9.443 1.029 -9.402 1.00 0.00 C ATOM 275 C GLU A 32 8.411 -0.093 -9.315 1.00 0.00 C ATOM 276 O GLU A 32 7.297 0.034 -9.823 1.00 0.00 O ATOM 277 CB GLU A 32 10.234 0.909 -10.706 1.00 0.00 C ATOM 278 CG GLU A 32 10.905 -0.442 -10.891 1.00 0.00 C ATOM 279 CD GLU A 32 12.378 -0.324 -11.232 1.00 0.00 C ATOM 280 OE1 GLU A 32 13.115 0.330 -10.466 1.00 0.00 O ATOM 281 OE2 GLU A 32 12.794 -0.887 -12.268 1.00 0.00 O ATOM 0 H GLU A 32 11.217 0.497 -8.418 1.00 0.00 H new ATOM 0 HA GLU A 32 8.915 1.982 -9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.563 1.090 -11.546 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.995 1.689 -10.732 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.794 -1.026 -9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.396 -0.990 -11.684 1.00 0.00 H new ATOM 288 N ASP A 33 8.789 -1.191 -8.666 1.00 0.00 N ATOM 289 CA ASP A 33 7.894 -2.336 -8.513 1.00 0.00 C ATOM 290 C ASP A 33 6.860 -2.070 -7.426 1.00 0.00 C ATOM 291 O ASP A 33 5.975 -2.888 -7.178 1.00 0.00 O ATOM 292 CB ASP A 33 8.687 -3.601 -8.174 1.00 0.00 C ATOM 293 CG ASP A 33 10.140 -3.310 -7.847 1.00 0.00 C ATOM 294 OD1 ASP A 33 10.408 -2.798 -6.740 1.00 0.00 O ATOM 295 OD2 ASP A 33 11.008 -3.595 -8.697 1.00 0.00 O ATOM 0 H ASP A 33 9.707 -1.313 -8.238 1.00 0.00 H new ATOM 0 HA ASP A 33 7.378 -2.487 -9.461 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.221 -4.101 -7.325 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.639 -4.292 -9.016 1.00 0.00 H new ATOM 300 N GLU A 34 6.979 -0.917 -6.780 1.00 0.00 N ATOM 301 CA GLU A 34 6.061 -0.539 -5.719 1.00 0.00 C ATOM 302 C GLU A 34 4.976 0.388 -6.251 1.00 0.00 C ATOM 303 O GLU A 34 4.875 0.616 -7.457 1.00 0.00 O ATOM 304 CB GLU A 34 6.821 0.140 -4.580 1.00 0.00 C ATOM 305 CG GLU A 34 7.785 -0.786 -3.858 1.00 0.00 C ATOM 306 CD GLU A 34 8.822 -0.035 -3.046 1.00 0.00 C ATOM 307 OE1 GLU A 34 8.755 1.211 -3.000 1.00 0.00 O ATOM 308 OE2 GLU A 34 9.704 -0.695 -2.455 1.00 0.00 O ATOM 0 H GLU A 34 7.705 -0.227 -6.975 1.00 0.00 H new ATOM 0 HA GLU A 34 5.586 -1.443 -5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.376 0.989 -4.979 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.104 0.537 -3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.222 -1.447 -3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.290 -1.419 -4.588 1.00 0.00 H new ATOM 315 N LEU A 35 4.169 0.920 -5.344 1.00 0.00 N ATOM 316 CA LEU A 35 3.091 1.823 -5.715 1.00 0.00 C ATOM 317 C LEU A 35 3.071 3.034 -4.792 1.00 0.00 C ATOM 318 O LEU A 35 3.281 2.908 -3.585 1.00 0.00 O ATOM 319 CB LEU A 35 1.753 1.087 -5.658 1.00 0.00 C ATOM 320 CG LEU A 35 0.513 1.981 -5.712 1.00 0.00 C ATOM 321 CD1 LEU A 35 0.251 2.449 -7.134 1.00 0.00 C ATOM 322 CD2 LEU A 35 -0.697 1.244 -5.159 1.00 0.00 C ATOM 0 H LEU A 35 4.242 0.740 -4.343 1.00 0.00 H new ATOM 0 HA LEU A 35 3.258 2.172 -6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.709 0.382 -6.488 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.718 0.501 -4.740 1.00 0.00 H new ATOM 0 HG LEU A 35 0.695 2.859 -5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.635 3.084 -7.151 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.110 3.015 -7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.090 1.584 -7.778 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.571 1.894 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.880 0.348 -5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.509 0.961 -4.123 1.00 0.00 H new ATOM 334 N GLY A 36 2.832 4.207 -5.365 1.00 0.00 N ATOM 335 CA GLY A 36 2.811 5.418 -4.574 1.00 0.00 C ATOM 336 C GLY A 36 1.489 6.158 -4.631 1.00 0.00 C ATOM 337 O GLY A 36 0.946 6.399 -5.708 1.00 0.00 O ATOM 0 H GLY A 36 2.653 4.339 -6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.033 5.168 -3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.604 6.081 -4.919 1.00 0.00 H new ATOM 341 N PHE A 37 0.985 6.528 -3.460 1.00 0.00 N ATOM 342 CA PHE A 37 -0.269 7.261 -3.352 1.00 0.00 C ATOM 343 C PHE A 37 -0.035 8.634 -2.739 1.00 0.00 C ATOM 344 O PHE A 37 1.103 9.029 -2.489 1.00 0.00 O ATOM 345 CB PHE A 37 -1.274 6.499 -2.490 1.00 0.00 C ATOM 346 CG PHE A 37 -0.650 5.516 -1.542 1.00 0.00 C ATOM 347 CD1 PHE A 37 0.271 5.934 -0.594 1.00 0.00 C ATOM 348 CD2 PHE A 37 -0.989 4.175 -1.596 1.00 0.00 C ATOM 349 CE1 PHE A 37 0.844 5.032 0.280 1.00 0.00 C ATOM 350 CE2 PHE A 37 -0.420 3.269 -0.723 1.00 0.00 C ATOM 351 CZ PHE A 37 0.497 3.697 0.215 1.00 0.00 C ATOM 0 H PHE A 37 1.431 6.330 -2.564 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.671 7.374 -4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.862 7.216 -1.917 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.967 5.968 -3.143 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.543 6.978 -0.539 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.706 3.834 -2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.562 5.370 1.013 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.693 2.225 -0.774 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.943 2.989 0.898 1.00 0.00 H new ATOM 361 N ARG A 38 -1.123 9.352 -2.487 1.00 0.00 N ATOM 362 CA ARG A 38 -1.037 10.678 -1.889 1.00 0.00 C ATOM 363 C ARG A 38 -1.971 10.792 -0.686 1.00 0.00 C ATOM 364 O ARG A 38 -2.852 9.954 -0.495 1.00 0.00 O ATOM 365 CB ARG A 38 -1.368 11.752 -2.924 1.00 0.00 C ATOM 366 CG ARG A 38 -0.689 11.524 -4.265 1.00 0.00 C ATOM 367 CD ARG A 38 -0.361 12.838 -4.956 1.00 0.00 C ATOM 368 NE ARG A 38 -1.534 13.696 -5.094 1.00 0.00 N ATOM 369 CZ ARG A 38 -1.467 15.018 -5.216 1.00 0.00 C ATOM 370 NH1 ARG A 38 -0.290 15.629 -5.218 1.00 0.00 N ATOM 371 NH2 ARG A 38 -2.579 15.731 -5.338 1.00 0.00 N ATOM 0 H ARG A 38 -2.073 9.039 -2.687 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.015 10.831 -1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.447 11.784 -3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.071 12.726 -2.535 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.227 10.951 -4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.338 10.927 -4.906 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.407 13.364 -4.388 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.056 12.634 -5.942 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.455 13.257 -5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.567 15.084 -5.126 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.242 16.644 -5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.486 15.265 -5.338 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.527 16.745 -5.432 1.00 0.00 H new ATOM 385 N SER A 39 -1.761 11.829 0.124 1.00 0.00 N ATOM 386 CA SER A 39 -2.572 12.062 1.318 1.00 0.00 C ATOM 387 C SER A 39 -4.061 11.863 1.036 1.00 0.00 C ATOM 388 O SER A 39 -4.573 12.299 0.005 1.00 0.00 O ATOM 389 CB SER A 39 -2.327 13.476 1.851 1.00 0.00 C ATOM 390 OG SER A 39 -3.549 14.153 2.090 1.00 0.00 O ATOM 0 H SER A 39 -1.031 12.525 -0.027 1.00 0.00 H new ATOM 0 HA SER A 39 -2.273 11.332 2.070 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.750 13.424 2.774 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.730 14.040 1.134 1.00 0.00 H new ATOM 0 HG SER A 39 -3.363 15.053 2.431 1.00 0.00 H new ATOM 396 N GLY A 40 -4.743 11.203 1.969 1.00 0.00 N ATOM 397 CA GLY A 40 -6.166 10.949 1.824 1.00 0.00 C ATOM 398 C GLY A 40 -6.519 10.279 0.510 1.00 0.00 C ATOM 399 O GLY A 40 -7.186 10.875 -0.336 1.00 0.00 O ATOM 0 H GLY A 40 -4.332 10.838 2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.503 10.320 2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.707 11.892 1.901 1.00 0.00 H new ATOM 403 N GLU A 41 -6.074 9.037 0.336 1.00 0.00 N ATOM 404 CA GLU A 41 -6.356 8.296 -0.893 1.00 0.00 C ATOM 405 C GLU A 41 -6.756 6.854 -0.601 1.00 0.00 C ATOM 406 O GLU A 41 -6.214 6.219 0.299 1.00 0.00 O ATOM 407 CB GLU A 41 -5.139 8.322 -1.820 1.00 0.00 C ATOM 408 CG GLU A 41 -5.110 9.523 -2.751 1.00 0.00 C ATOM 409 CD GLU A 41 -4.600 9.175 -4.136 1.00 0.00 C ATOM 410 OE1 GLU A 41 -5.416 8.741 -4.976 1.00 0.00 O ATOM 411 OE2 GLU A 41 -3.386 9.336 -4.379 1.00 0.00 O ATOM 0 H GLU A 41 -5.521 8.525 1.023 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.196 8.785 -1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.232 8.319 -1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.127 7.410 -2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.114 9.940 -2.832 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.477 10.298 -2.319 1.00 0.00 H new ATOM 418 N VAL A 42 -7.710 6.346 -1.379 1.00 0.00 N ATOM 419 CA VAL A 42 -8.191 4.978 -1.219 1.00 0.00 C ATOM 420 C VAL A 42 -7.541 4.048 -2.240 1.00 0.00 C ATOM 421 O VAL A 42 -7.453 4.377 -3.423 1.00 0.00 O ATOM 422 CB VAL A 42 -9.722 4.902 -1.373 1.00 0.00 C ATOM 423 CG1 VAL A 42 -10.235 3.520 -0.999 1.00 0.00 C ATOM 424 CG2 VAL A 42 -10.395 5.975 -0.530 1.00 0.00 C ATOM 0 H VAL A 42 -8.166 6.865 -2.129 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.918 4.658 -0.213 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.971 5.081 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.318 3.490 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.779 2.774 -1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.975 3.304 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.476 5.907 -0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.137 5.829 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.055 6.959 -0.854 1.00 0.00 H new ATOM 434 N VAL A 43 -7.086 2.889 -1.776 1.00 0.00 N ATOM 435 CA VAL A 43 -6.439 1.916 -2.650 1.00 0.00 C ATOM 436 C VAL A 43 -7.037 0.524 -2.466 1.00 0.00 C ATOM 437 O VAL A 43 -7.315 0.103 -1.347 1.00 0.00 O ATOM 438 CB VAL A 43 -4.923 1.848 -2.378 1.00 0.00 C ATOM 439 CG1 VAL A 43 -4.249 0.853 -3.308 1.00 0.00 C ATOM 440 CG2 VAL A 43 -4.294 3.226 -2.518 1.00 0.00 C ATOM 0 H VAL A 43 -7.153 2.600 -0.800 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.608 2.247 -3.675 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.776 1.505 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.180 0.823 -3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.677 -0.137 -3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.406 1.158 -4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.224 3.159 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.456 3.599 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.751 3.909 -1.802 1.00 0.00 H new ATOM 450 N GLU A 44 -7.224 -0.190 -3.570 1.00 0.00 N ATOM 451 CA GLU A 44 -7.781 -1.538 -3.519 1.00 0.00 C ATOM 452 C GLU A 44 -6.662 -2.576 -3.504 1.00 0.00 C ATOM 453 O GLU A 44 -6.008 -2.815 -4.520 1.00 0.00 O ATOM 454 CB GLU A 44 -8.710 -1.781 -4.711 1.00 0.00 C ATOM 455 CG GLU A 44 -9.217 -3.211 -4.811 1.00 0.00 C ATOM 456 CD GLU A 44 -10.240 -3.390 -5.916 1.00 0.00 C ATOM 457 OE1 GLU A 44 -11.132 -2.524 -6.045 1.00 0.00 O ATOM 458 OE2 GLU A 44 -10.150 -4.394 -6.652 1.00 0.00 O ATOM 0 H GLU A 44 -6.999 0.140 -4.509 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.361 -1.635 -2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.563 -1.107 -4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.181 -1.528 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.375 -3.880 -4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.661 -3.503 -3.859 1.00 0.00 H new ATOM 465 N VAL A 45 -6.449 -3.193 -2.345 1.00 0.00 N ATOM 466 CA VAL A 45 -5.410 -4.209 -2.197 1.00 0.00 C ATOM 467 C VAL A 45 -5.893 -5.548 -2.737 1.00 0.00 C ATOM 468 O VAL A 45 -7.053 -5.919 -2.554 1.00 0.00 O ATOM 469 CB VAL A 45 -4.978 -4.381 -0.728 1.00 0.00 C ATOM 470 CG1 VAL A 45 -3.782 -5.316 -0.624 1.00 0.00 C ATOM 471 CG2 VAL A 45 -4.656 -3.033 -0.104 1.00 0.00 C ATOM 0 H VAL A 45 -6.981 -3.008 -1.495 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.548 -3.868 -2.770 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.808 -4.825 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.494 -5.423 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.047 -6.293 -1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.947 -4.903 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.353 -3.175 0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.845 -2.560 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.539 -2.395 -0.140 1.00 0.00 H new ATOM 481 N LEU A 46 -5.007 -6.258 -3.426 1.00 0.00 N ATOM 482 CA LEU A 46 -5.359 -7.543 -4.015 1.00 0.00 C ATOM 483 C LEU A 46 -4.547 -8.693 -3.419 1.00 0.00 C ATOM 484 O LEU A 46 -4.527 -9.793 -3.973 1.00 0.00 O ATOM 485 CB LEU A 46 -5.149 -7.487 -5.528 1.00 0.00 C ATOM 486 CG LEU A 46 -6.415 -7.231 -6.346 1.00 0.00 C ATOM 487 CD1 LEU A 46 -6.078 -6.491 -7.630 1.00 0.00 C ATOM 488 CD2 LEU A 46 -7.125 -8.540 -6.654 1.00 0.00 C ATOM 0 H LEU A 46 -4.043 -5.966 -3.590 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.408 -7.735 -3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.426 -6.703 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.708 -8.429 -5.854 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.086 -6.607 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.991 -6.317 -8.200 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.614 -5.535 -7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.388 -7.089 -8.224 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.024 -8.338 -7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.461 -9.189 -7.225 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.400 -9.033 -5.722 1.00 0.00 H new ATOM 500 N ASP A 47 -3.879 -8.445 -2.294 1.00 0.00 N ATOM 501 CA ASP A 47 -3.079 -9.482 -1.652 1.00 0.00 C ATOM 502 C ASP A 47 -3.083 -9.336 -0.139 1.00 0.00 C ATOM 503 O ASP A 47 -3.588 -10.198 0.582 1.00 0.00 O ATOM 504 CB ASP A 47 -1.641 -9.445 -2.178 1.00 0.00 C ATOM 505 CG ASP A 47 -0.927 -10.771 -2.000 1.00 0.00 C ATOM 506 OD1 ASP A 47 -0.378 -11.006 -0.904 1.00 0.00 O ATOM 507 OD2 ASP A 47 -0.918 -11.574 -2.956 1.00 0.00 O ATOM 0 H ASP A 47 -3.876 -7.545 -1.814 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.528 -10.444 -1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.650 -9.179 -3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.087 -8.664 -1.658 1.00 0.00 H new ATOM 512 N SER A 48 -2.503 -8.242 0.322 1.00 0.00 N ATOM 513 CA SER A 48 -2.396 -7.931 1.750 1.00 0.00 C ATOM 514 C SER A 48 -1.692 -9.022 2.534 1.00 0.00 C ATOM 515 O SER A 48 -1.465 -8.866 3.734 1.00 0.00 O ATOM 516 CB SER A 48 -3.758 -7.632 2.381 1.00 0.00 C ATOM 517 OG SER A 48 -4.788 -8.422 1.817 1.00 0.00 O ATOM 0 H SER A 48 -2.087 -7.534 -0.283 1.00 0.00 H new ATOM 0 HA SER A 48 -1.785 -7.030 1.805 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.708 -7.814 3.455 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.996 -6.577 2.247 1.00 0.00 H new ATOM 0 HG SER A 48 -4.511 -9.362 1.806 1.00 0.00 H new ATOM 523 N SER A 49 -1.304 -10.109 1.879 1.00 0.00 N ATOM 524 CA SER A 49 -0.590 -11.142 2.594 1.00 0.00 C ATOM 525 C SER A 49 0.879 -10.768 2.616 1.00 0.00 C ATOM 526 O SER A 49 1.528 -10.718 1.574 1.00 0.00 O ATOM 527 CB SER A 49 -0.784 -12.504 1.923 1.00 0.00 C ATOM 528 OG SER A 49 0.268 -13.393 2.258 1.00 0.00 O ATOM 0 H SER A 49 -1.467 -10.290 0.888 1.00 0.00 H new ATOM 0 HA SER A 49 -0.975 -11.221 3.611 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.738 -12.932 2.231 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.826 -12.377 0.841 1.00 0.00 H new ATOM 0 HG SER A 49 0.120 -14.256 1.818 1.00 0.00 H new ATOM 534 N ASN A 50 1.372 -10.493 3.819 1.00 0.00 N ATOM 535 CA ASN A 50 2.756 -10.087 4.051 1.00 0.00 C ATOM 536 C ASN A 50 2.856 -9.426 5.422 1.00 0.00 C ATOM 537 O ASN A 50 1.840 -9.023 5.988 1.00 0.00 O ATOM 538 CB ASN A 50 3.203 -9.086 2.990 1.00 0.00 C ATOM 539 CG ASN A 50 3.996 -9.715 1.866 1.00 0.00 C ATOM 540 OD1 ASN A 50 4.951 -10.457 2.096 1.00 0.00 O ATOM 541 ND2 ASN A 50 3.595 -9.411 0.638 1.00 0.00 N ATOM 0 H ASN A 50 0.815 -10.546 4.672 1.00 0.00 H new ATOM 0 HA ASN A 50 3.395 -10.968 4.003 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.325 -8.593 2.573 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.808 -8.313 3.463 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.085 -9.798 -0.169 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.797 -8.791 0.501 1.00 0.00 H new ATOM 548 N PRO A 51 4.066 -9.305 5.988 1.00 0.00 N ATOM 549 CA PRO A 51 4.253 -8.699 7.293 1.00 0.00 C ATOM 550 C PRO A 51 4.606 -7.214 7.229 1.00 0.00 C ATOM 551 O PRO A 51 4.987 -6.623 8.240 1.00 0.00 O ATOM 552 CB PRO A 51 5.425 -9.504 7.842 1.00 0.00 C ATOM 553 CG PRO A 51 6.254 -9.847 6.639 1.00 0.00 C ATOM 554 CD PRO A 51 5.346 -9.764 5.429 1.00 0.00 C ATOM 0 HA PRO A 51 3.347 -8.726 7.898 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.999 -8.924 8.565 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.082 -10.403 8.355 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.091 -9.156 6.539 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.676 -10.847 6.735 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.732 -9.067 4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.245 -10.731 4.937 1.00 0.00 H new ATOM 562 N SER A 52 4.481 -6.607 6.048 1.00 0.00 N ATOM 563 CA SER A 52 4.799 -5.188 5.899 1.00 0.00 C ATOM 564 C SER A 52 4.363 -4.642 4.543 1.00 0.00 C ATOM 565 O SER A 52 3.532 -3.741 4.470 1.00 0.00 O ATOM 566 CB SER A 52 6.297 -4.962 6.086 1.00 0.00 C ATOM 567 OG SER A 52 6.577 -4.409 7.359 1.00 0.00 O ATOM 0 H SER A 52 4.167 -7.068 5.194 1.00 0.00 H new ATOM 0 HA SER A 52 4.245 -4.650 6.668 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.827 -5.908 5.973 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.667 -4.295 5.308 1.00 0.00 H new ATOM 0 HG SER A 52 6.148 -4.952 8.053 1.00 0.00 H new ATOM 573 N TRP A 53 4.937 -5.177 3.472 1.00 0.00 N ATOM 574 CA TRP A 53 4.607 -4.721 2.124 1.00 0.00 C ATOM 575 C TRP A 53 3.559 -5.617 1.479 1.00 0.00 C ATOM 576 O TRP A 53 3.768 -6.817 1.320 1.00 0.00 O ATOM 577 CB TRP A 53 5.856 -4.698 1.250 1.00 0.00 C ATOM 578 CG TRP A 53 6.753 -3.526 1.504 1.00 0.00 C ATOM 579 CD1 TRP A 53 7.739 -3.435 2.443 1.00 0.00 C ATOM 580 CD2 TRP A 53 6.749 -2.277 0.802 1.00 0.00 C ATOM 581 NE1 TRP A 53 8.351 -2.206 2.368 1.00 0.00 N ATOM 582 CE2 TRP A 53 7.760 -1.477 1.368 1.00 0.00 C ATOM 583 CE3 TRP A 53 5.991 -1.757 -0.250 1.00 0.00 C ATOM 584 CZ2 TRP A 53 8.031 -0.187 0.916 1.00 0.00 C ATOM 585 CZ3 TRP A 53 6.261 -0.478 -0.697 1.00 0.00 C ATOM 586 CH2 TRP A 53 7.272 0.294 -0.114 1.00 0.00 C ATOM 0 H TRP A 53 5.631 -5.924 3.508 1.00 0.00 H new ATOM 0 HA TRP A 53 4.201 -3.713 2.208 1.00 0.00 H new ATOM 0 HB2 TRP A 53 6.419 -5.617 1.414 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.554 -4.692 0.203 1.00 0.00 H new ATOM 0 HD1 TRP A 53 8.001 -4.215 3.143 1.00 0.00 H new ATOM 0 HE1 TRP A 53 9.119 -1.888 2.959 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.208 -2.345 -0.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 8.812 0.411 1.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.682 -0.067 -1.511 1.00 0.00 H new ATOM 0 HH2 TRP A 53 7.457 1.291 -0.486 1.00 0.00 H new ATOM 597 N TRP A 54 2.436 -5.023 1.098 1.00 0.00 N ATOM 598 CA TRP A 54 1.356 -5.765 0.457 1.00 0.00 C ATOM 599 C TRP A 54 1.219 -5.379 -1.010 1.00 0.00 C ATOM 600 O TRP A 54 1.489 -4.241 -1.393 1.00 0.00 O ATOM 601 CB TRP A 54 0.018 -5.511 1.153 1.00 0.00 C ATOM 602 CG TRP A 54 -0.009 -5.834 2.615 1.00 0.00 C ATOM 603 CD1 TRP A 54 0.870 -6.608 3.307 1.00 0.00 C ATOM 604 CD2 TRP A 54 -0.998 -5.407 3.559 1.00 0.00 C ATOM 605 NE1 TRP A 54 0.487 -6.700 4.621 1.00 0.00 N ATOM 606 CE2 TRP A 54 -0.653 -5.964 4.804 1.00 0.00 C ATOM 607 CE3 TRP A 54 -2.139 -4.605 3.471 1.00 0.00 C ATOM 608 CZ2 TRP A 54 -1.410 -5.747 5.953 1.00 0.00 C ATOM 609 CZ3 TRP A 54 -2.889 -4.388 4.612 1.00 0.00 C ATOM 610 CH2 TRP A 54 -2.524 -4.957 5.838 1.00 0.00 C ATOM 0 H TRP A 54 2.248 -4.028 1.221 1.00 0.00 H new ATOM 0 HA TRP A 54 1.611 -6.822 0.535 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.248 -4.462 1.024 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.752 -6.099 0.653 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.743 -7.082 2.883 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.973 -7.231 5.344 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.429 -4.163 2.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.129 -6.185 6.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.772 -3.769 4.557 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.132 -4.770 6.710 1.00 0.00 H new ATOM 621 N THR A 55 0.779 -6.333 -1.823 1.00 0.00 N ATOM 622 CA THR A 55 0.583 -6.092 -3.246 1.00 0.00 C ATOM 623 C THR A 55 -0.833 -5.591 -3.524 1.00 0.00 C ATOM 624 O THR A 55 -1.811 -6.303 -3.301 1.00 0.00 O ATOM 625 CB THR A 55 0.832 -7.369 -4.069 1.00 0.00 C ATOM 626 OG1 THR A 55 1.925 -8.107 -3.512 1.00 0.00 O ATOM 627 CG2 THR A 55 1.133 -7.024 -5.519 1.00 0.00 C ATOM 0 H THR A 55 0.552 -7.280 -1.520 1.00 0.00 H new ATOM 0 HA THR A 55 1.303 -5.330 -3.543 1.00 0.00 H new ATOM 0 HB THR A 55 -0.070 -7.979 -4.035 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.075 -8.918 -4.041 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.306 -7.941 -6.083 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.287 -6.488 -5.949 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.022 -6.396 -5.566 1.00 0.00 H new ATOM 635 N GLY A 56 -0.928 -4.361 -4.018 1.00 0.00 N ATOM 636 CA GLY A 56 -2.219 -3.770 -4.330 1.00 0.00 C ATOM 637 C GLY A 56 -2.105 -2.720 -5.420 1.00 0.00 C ATOM 638 O GLY A 56 -1.005 -2.442 -5.897 1.00 0.00 O ATOM 0 H GLY A 56 -0.128 -3.758 -4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.910 -4.551 -4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.639 -3.318 -3.432 1.00 0.00 H new ATOM 642 N ARG A 57 -3.228 -2.137 -5.829 1.00 0.00 N ATOM 643 CA ARG A 57 -3.203 -1.123 -6.881 1.00 0.00 C ATOM 644 C ARG A 57 -4.039 0.105 -6.521 1.00 0.00 C ATOM 645 O ARG A 57 -5.167 -0.013 -6.041 1.00 0.00 O ATOM 646 CB ARG A 57 -3.688 -1.717 -8.206 1.00 0.00 C ATOM 647 CG ARG A 57 -5.017 -2.447 -8.100 1.00 0.00 C ATOM 648 CD ARG A 57 -5.645 -2.654 -9.469 1.00 0.00 C ATOM 649 NE ARG A 57 -6.671 -3.695 -9.451 1.00 0.00 N ATOM 650 CZ ARG A 57 -7.975 -3.447 -9.360 1.00 0.00 C ATOM 651 NH1 ARG A 57 -8.412 -2.197 -9.271 1.00 0.00 N ATOM 652 NH2 ARG A 57 -8.844 -4.449 -9.360 1.00 0.00 N ATOM 0 H ARG A 57 -4.154 -2.344 -5.455 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.169 -0.796 -6.987 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.781 -0.917 -8.940 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.933 -2.408 -8.582 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.866 -3.412 -7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.698 -1.877 -7.468 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.085 -1.717 -9.811 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.869 -2.922 -10.186 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.370 -4.668 -9.512 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.748 -1.423 -9.272 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.412 -2.010 -9.201 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.513 -5.411 -9.430 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.843 -4.257 -9.290 1.00 0.00 H new ATOM 666 N LEU A 58 -3.469 1.285 -6.770 1.00 0.00 N ATOM 667 CA LEU A 58 -4.140 2.552 -6.488 1.00 0.00 C ATOM 668 C LEU A 58 -4.749 3.130 -7.760 1.00 0.00 C ATOM 669 O LEU A 58 -4.029 3.491 -8.691 1.00 0.00 O ATOM 670 CB LEU A 58 -3.142 3.554 -5.888 1.00 0.00 C ATOM 671 CG LEU A 58 -3.465 5.037 -6.115 1.00 0.00 C ATOM 672 CD1 LEU A 58 -3.843 5.712 -4.806 1.00 0.00 C ATOM 673 CD2 LEU A 58 -2.282 5.745 -6.757 1.00 0.00 C ATOM 0 H LEU A 58 -2.536 1.388 -7.170 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.939 2.367 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.078 3.376 -4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.156 3.349 -6.304 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.317 5.103 -6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.068 6.763 -4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.720 5.222 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.012 5.636 -4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.527 6.796 -6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.413 5.667 -6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.057 5.280 -7.717 1.00 0.00 H new ATOM 685 N HIS A 59 -6.078 3.220 -7.786 1.00 0.00 N ATOM 686 CA HIS A 59 -6.791 3.760 -8.940 1.00 0.00 C ATOM 687 C HIS A 59 -6.606 2.864 -10.167 1.00 0.00 C ATOM 688 O HIS A 59 -7.496 2.087 -10.513 1.00 0.00 O ATOM 689 CB HIS A 59 -6.317 5.192 -9.223 1.00 0.00 C ATOM 690 CG HIS A 59 -6.540 5.655 -10.629 1.00 0.00 C ATOM 691 ND1 HIS A 59 -7.689 5.387 -11.344 1.00 0.00 N ATOM 692 CD2 HIS A 59 -5.744 6.372 -11.454 1.00 0.00 C ATOM 693 CE1 HIS A 59 -7.589 5.920 -12.550 1.00 0.00 C ATOM 694 NE2 HIS A 59 -6.418 6.523 -12.641 1.00 0.00 N ATOM 0 H HIS A 59 -6.682 2.925 -7.019 1.00 0.00 H new ATOM 0 HA HIS A 59 -7.857 3.786 -8.713 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -6.832 5.872 -8.544 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -5.253 5.260 -8.996 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -4.761 6.755 -11.223 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -8.337 5.871 -13.327 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -6.070 7.021 -13.461 1.00 0.00 H new ATOM 703 N ASN A 60 -5.451 2.972 -10.822 1.00 0.00 N ATOM 704 CA ASN A 60 -5.168 2.166 -12.004 1.00 0.00 C ATOM 705 C ASN A 60 -3.691 1.786 -12.073 1.00 0.00 C ATOM 706 O ASN A 60 -3.205 1.326 -13.107 1.00 0.00 O ATOM 707 CB ASN A 60 -5.573 2.921 -13.272 1.00 0.00 C ATOM 708 CG ASN A 60 -6.321 2.041 -14.253 1.00 0.00 C ATOM 709 OD1 ASN A 60 -6.008 0.862 -14.410 1.00 0.00 O ATOM 710 ND2 ASN A 60 -7.317 2.612 -14.921 1.00 0.00 N ATOM 0 H ASN A 60 -4.700 3.608 -10.554 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.753 1.249 -11.931 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.198 3.772 -13.001 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.681 3.321 -13.754 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.856 2.069 -15.595 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.543 3.594 -14.760 1.00 0.00 H new ATOM 717 N LYS A 61 -2.987 1.972 -10.962 1.00 0.00 N ATOM 718 CA LYS A 61 -1.571 1.640 -10.887 1.00 0.00 C ATOM 719 C LYS A 61 -1.361 0.468 -9.939 1.00 0.00 C ATOM 720 O LYS A 61 -1.819 0.500 -8.801 1.00 0.00 O ATOM 721 CB LYS A 61 -0.768 2.852 -10.410 1.00 0.00 C ATOM 722 CG LYS A 61 -0.684 3.967 -11.440 1.00 0.00 C ATOM 723 CD LYS A 61 0.429 4.948 -11.113 1.00 0.00 C ATOM 724 CE LYS A 61 1.788 4.403 -11.519 1.00 0.00 C ATOM 725 NZ LYS A 61 2.498 3.771 -10.372 1.00 0.00 N ATOM 0 H LYS A 61 -3.376 2.352 -10.099 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.223 1.359 -11.881 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.222 3.243 -9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.241 2.531 -10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.514 3.539 -12.428 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.636 4.497 -11.482 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.246 5.892 -11.626 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.426 5.161 -10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.662 3.670 -12.316 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.398 5.211 -11.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.374 4.296 -10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.886 3.790 -9.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.731 2.785 -10.608 1.00 0.00 H new ATOM 739 N LEU A 62 -0.677 -0.570 -10.412 1.00 0.00 N ATOM 740 CA LEU A 62 -0.433 -1.754 -9.593 1.00 0.00 C ATOM 741 C LEU A 62 0.992 -1.769 -9.050 1.00 0.00 C ATOM 742 O LEU A 62 1.923 -1.297 -9.703 1.00 0.00 O ATOM 743 CB LEU A 62 -0.692 -3.024 -10.411 1.00 0.00 C ATOM 744 CG LEU A 62 -1.515 -2.819 -11.685 1.00 0.00 C ATOM 745 CD1 LEU A 62 -0.616 -2.839 -12.910 1.00 0.00 C ATOM 746 CD2 LEU A 62 -2.597 -3.882 -11.796 1.00 0.00 C ATOM 0 H LEU A 62 -0.284 -0.616 -11.352 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.119 -1.722 -8.746 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.267 -3.464 -10.684 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.206 -3.747 -9.778 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.997 -1.843 -11.631 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.219 -2.692 -13.806 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.121 -2.040 -12.833 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.105 -3.800 -12.970 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.173 -3.721 -12.707 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.136 -4.869 -11.828 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.259 -3.819 -10.933 1.00 0.00 H new ATOM 758 N GLY A 63 1.149 -2.308 -7.843 1.00 0.00 N ATOM 759 CA GLY A 63 2.458 -2.371 -7.221 1.00 0.00 C ATOM 760 C GLY A 63 2.388 -2.731 -5.747 1.00 0.00 C ATOM 761 O GLY A 63 1.366 -3.221 -5.271 1.00 0.00 O ATOM 0 H GLY A 63 0.391 -2.702 -7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.069 -3.108 -7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.956 -1.408 -7.333 1.00 0.00 H new ATOM 765 N LEU A 64 3.478 -2.489 -5.024 1.00 0.00 N ATOM 766 CA LEU A 64 3.534 -2.793 -3.594 1.00 0.00 C ATOM 767 C LEU A 64 3.545 -1.510 -2.763 1.00 0.00 C ATOM 768 O LEU A 64 4.321 -0.596 -3.031 1.00 0.00 O ATOM 769 CB LEU A 64 4.776 -3.631 -3.276 1.00 0.00 C ATOM 770 CG LEU A 64 5.492 -4.223 -4.491 1.00 0.00 C ATOM 771 CD1 LEU A 64 6.996 -4.242 -4.269 1.00 0.00 C ATOM 772 CD2 LEU A 64 4.976 -5.625 -4.781 1.00 0.00 C ATOM 0 H LEU A 64 4.334 -2.084 -5.403 1.00 0.00 H new ATOM 0 HA LEU A 64 2.643 -3.365 -3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.482 -3.010 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.485 -4.446 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 64 5.282 -3.593 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.488 -4.667 -5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.353 -3.225 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.227 -4.849 -3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.496 -6.032 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.156 -6.265 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.906 -5.584 -4.985 1.00 0.00 H new ATOM 784 N PHE A 65 2.679 -1.447 -1.752 1.00 0.00 N ATOM 785 CA PHE A 65 2.595 -0.268 -0.890 1.00 0.00 C ATOM 786 C PHE A 65 2.941 -0.613 0.562 1.00 0.00 C ATOM 787 O PHE A 65 2.926 -1.781 0.952 1.00 0.00 O ATOM 788 CB PHE A 65 1.186 0.341 -0.955 1.00 0.00 C ATOM 789 CG PHE A 65 0.222 -0.272 0.019 1.00 0.00 C ATOM 790 CD1 PHE A 65 0.137 0.212 1.312 1.00 0.00 C ATOM 791 CD2 PHE A 65 -0.584 -1.336 -0.350 1.00 0.00 C ATOM 792 CE1 PHE A 65 -0.728 -0.348 2.222 1.00 0.00 C ATOM 793 CE2 PHE A 65 -1.455 -1.907 0.557 1.00 0.00 C ATOM 794 CZ PHE A 65 -1.528 -1.413 1.848 1.00 0.00 C ATOM 0 H PHE A 65 2.028 -2.195 -1.510 1.00 0.00 H new ATOM 0 HA PHE A 65 3.321 0.459 -1.252 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.253 1.412 -0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.794 0.222 -1.965 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.760 1.042 1.611 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.531 -1.723 -1.357 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.783 0.043 3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.078 -2.737 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.207 -1.857 2.561 1.00 0.00 H new ATOM 804 N PRO A 66 3.249 0.411 1.385 1.00 0.00 N ATOM 805 CA PRO A 66 3.590 0.225 2.803 1.00 0.00 C ATOM 806 C PRO A 66 2.360 0.024 3.687 1.00 0.00 C ATOM 807 O PRO A 66 1.610 0.968 3.938 1.00 0.00 O ATOM 808 CB PRO A 66 4.252 1.553 3.154 1.00 0.00 C ATOM 809 CG PRO A 66 3.509 2.533 2.320 1.00 0.00 C ATOM 810 CD PRO A 66 3.294 1.842 1.006 1.00 0.00 C ATOM 0 HA PRO A 66 4.206 -0.660 2.962 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.163 1.779 4.217 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.316 1.548 2.917 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.560 2.805 2.782 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.078 3.454 2.193 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.368 2.162 0.528 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.102 2.048 0.305 1.00 0.00 H new ATOM 818 N ALA A 67 2.161 -1.196 4.170 1.00 0.00 N ATOM 819 CA ALA A 67 1.025 -1.485 5.035 1.00 0.00 C ATOM 820 C ALA A 67 1.212 -0.836 6.401 1.00 0.00 C ATOM 821 O ALA A 67 0.283 -0.780 7.207 1.00 0.00 O ATOM 822 CB ALA A 67 0.835 -2.985 5.184 1.00 0.00 C ATOM 0 H ALA A 67 2.766 -1.995 3.979 1.00 0.00 H new ATOM 0 HA ALA A 67 0.130 -1.067 4.574 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.018 -3.181 5.834 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.655 -3.428 4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.732 -3.424 5.621 1.00 0.00 H new ATOM 828 N ASN A 68 2.422 -0.345 6.651 1.00 0.00 N ATOM 829 CA ASN A 68 2.741 0.304 7.917 1.00 0.00 C ATOM 830 C ASN A 68 2.468 1.803 7.844 1.00 0.00 C ATOM 831 O ASN A 68 2.113 2.426 8.844 1.00 0.00 O ATOM 832 CB ASN A 68 4.209 0.047 8.291 1.00 0.00 C ATOM 833 CG ASN A 68 4.959 1.315 8.659 1.00 0.00 C ATOM 834 OD1 ASN A 68 5.228 1.571 9.833 1.00 0.00 O ATOM 835 ND2 ASN A 68 5.302 2.114 7.654 1.00 0.00 N ATOM 0 H ASN A 68 3.199 -0.385 5.991 1.00 0.00 H new ATOM 0 HA ASN A 68 2.101 -0.121 8.690 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.248 -0.648 9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.712 -0.436 7.453 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.809 2.979 7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.058 1.862 6.696 1.00 0.00 H new ATOM 842 N TYR A 69 2.644 2.378 6.657 1.00 0.00 N ATOM 843 CA TYR A 69 2.426 3.807 6.465 1.00 0.00 C ATOM 844 C TYR A 69 0.939 4.141 6.381 1.00 0.00 C ATOM 845 O TYR A 69 0.495 5.144 6.939 1.00 0.00 O ATOM 846 CB TYR A 69 3.147 4.301 5.211 1.00 0.00 C ATOM 847 CG TYR A 69 3.760 5.672 5.377 1.00 0.00 C ATOM 848 CD1 TYR A 69 4.842 5.873 6.227 1.00 0.00 C ATOM 849 CD2 TYR A 69 3.257 6.768 4.689 1.00 0.00 C ATOM 850 CE1 TYR A 69 5.404 7.125 6.385 1.00 0.00 C ATOM 851 CE2 TYR A 69 3.814 8.024 4.841 1.00 0.00 C ATOM 852 CZ TYR A 69 4.886 8.197 5.690 1.00 0.00 C ATOM 853 OH TYR A 69 5.443 9.445 5.844 1.00 0.00 O ATOM 0 H TYR A 69 2.936 1.878 5.817 1.00 0.00 H new ATOM 0 HA TYR A 69 2.839 4.319 7.334 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.930 3.590 4.946 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.442 4.324 4.380 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.250 5.036 6.773 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.416 6.637 4.024 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.244 7.263 7.049 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.411 8.866 4.297 1.00 0.00 H new ATOM 0 HH TYR A 69 4.962 10.089 5.284 1.00 0.00 H new ATOM 863 N VAL A 70 0.172 3.308 5.683 1.00 0.00 N ATOM 864 CA VAL A 70 -1.263 3.549 5.544 1.00 0.00 C ATOM 865 C VAL A 70 -2.077 2.364 6.064 1.00 0.00 C ATOM 866 O VAL A 70 -1.573 1.245 6.158 1.00 0.00 O ATOM 867 CB VAL A 70 -1.641 3.839 4.075 1.00 0.00 C ATOM 868 CG1 VAL A 70 -0.513 4.576 3.372 1.00 0.00 C ATOM 869 CG2 VAL A 70 -1.986 2.556 3.330 1.00 0.00 C ATOM 0 H VAL A 70 0.513 2.471 5.210 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.501 4.426 6.146 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.527 4.474 4.076 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.796 4.773 2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.322 5.520 3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.389 3.964 3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.248 2.793 2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.126 1.886 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.831 2.069 3.816 1.00 0.00 H new ATOM 879 N ALA A 71 -3.337 2.625 6.411 1.00 0.00 N ATOM 880 CA ALA A 71 -4.220 1.584 6.935 1.00 0.00 C ATOM 881 C ALA A 71 -5.402 1.343 5.998 1.00 0.00 C ATOM 882 O ALA A 71 -5.857 2.263 5.320 1.00 0.00 O ATOM 883 CB ALA A 71 -4.713 1.965 8.322 1.00 0.00 C ATOM 0 H ALA A 71 -3.768 3.546 6.339 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.651 0.657 7.004 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.370 1.183 8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.861 2.081 8.992 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.262 2.905 8.267 1.00 0.00 H new ATOM 889 N PRO A 72 -5.911 0.095 5.934 1.00 0.00 N ATOM 890 CA PRO A 72 -7.033 -0.254 5.056 1.00 0.00 C ATOM 891 C PRO A 72 -8.265 0.609 5.264 1.00 0.00 C ATOM 892 O PRO A 72 -8.305 1.475 6.138 1.00 0.00 O ATOM 893 CB PRO A 72 -7.332 -1.711 5.407 1.00 0.00 C ATOM 894 CG PRO A 72 -6.052 -2.232 5.942 1.00 0.00 C ATOM 895 CD PRO A 72 -5.428 -1.081 6.686 1.00 0.00 C ATOM 0 HA PRO A 72 -6.771 -0.095 4.010 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.131 -1.786 6.145 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.654 -2.273 4.530 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.220 -3.082 6.604 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.402 -2.578 5.138 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.746 -1.053 7.728 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.340 -1.142 6.686 1.00 0.00 H new ATOM 903 N MET A 73 -9.264 0.360 4.431 1.00 0.00 N ATOM 904 CA MET A 73 -10.512 1.099 4.476 1.00 0.00 C ATOM 905 C MET A 73 -11.692 0.170 4.226 1.00 0.00 C ATOM 906 O MET A 73 -11.997 -0.164 3.080 1.00 0.00 O ATOM 907 CB MET A 73 -10.483 2.196 3.414 1.00 0.00 C ATOM 908 CG MET A 73 -11.285 3.432 3.786 1.00 0.00 C ATOM 909 SD MET A 73 -12.501 3.873 2.530 1.00 0.00 S ATOM 910 CE MET A 73 -13.615 2.475 2.641 1.00 0.00 C ATOM 0 H MET A 73 -9.231 -0.358 3.708 1.00 0.00 H new ATOM 0 HA MET A 73 -10.627 1.544 5.464 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.448 2.487 3.234 1.00 0.00 H new ATOM 0 HB3 MET A 73 -10.869 1.792 2.478 1.00 0.00 H new ATOM 0 HG2 MET A 73 -11.794 3.259 4.734 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.605 4.270 3.938 1.00 0.00 H new ATOM 0 HE1 MET A 73 -14.613 2.779 2.326 1.00 0.00 H new ATOM 0 HE2 MET A 73 -13.259 1.674 1.994 1.00 0.00 H new ATOM 0 HE3 MET A 73 -13.652 2.120 3.671 1.00 0.00 H new ATOM 920 N MET A 74 -12.356 -0.247 5.299 1.00 0.00 N ATOM 921 CA MET A 74 -13.502 -1.139 5.176 1.00 0.00 C ATOM 922 C MET A 74 -14.717 -0.384 4.653 1.00 0.00 C ATOM 923 O MET A 74 -15.343 0.387 5.382 1.00 0.00 O ATOM 924 CB MET A 74 -13.826 -1.781 6.526 1.00 0.00 C ATOM 925 CG MET A 74 -13.906 -3.298 6.473 1.00 0.00 C ATOM 926 SD MET A 74 -12.819 -4.092 7.673 1.00 0.00 S ATOM 927 CE MET A 74 -14.018 -4.808 8.795 1.00 0.00 C ATOM 0 H MET A 74 -12.122 0.016 6.256 1.00 0.00 H new ATOM 0 HA MET A 74 -13.247 -1.924 4.464 1.00 0.00 H new ATOM 0 HB2 MET A 74 -13.064 -1.490 7.250 1.00 0.00 H new ATOM 0 HB3 MET A 74 -14.776 -1.387 6.888 1.00 0.00 H new ATOM 0 HG2 MET A 74 -14.934 -3.611 6.657 1.00 0.00 H new ATOM 0 HG3 MET A 74 -13.644 -3.637 5.471 1.00 0.00 H new ATOM 0 HE1 MET A 74 -13.498 -5.335 9.595 1.00 0.00 H new ATOM 0 HE2 MET A 74 -14.634 -4.017 9.222 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.652 -5.508 8.251 1.00 0.00 H new ATOM 937 N ARG A 75 -15.045 -0.613 3.387 1.00 0.00 N ATOM 938 CA ARG A 75 -16.188 0.042 2.762 1.00 0.00 C ATOM 939 C ARG A 75 -17.475 -0.728 3.037 1.00 0.00 C ATOM 940 O ARG A 75 -18.538 -0.083 3.143 1.00 0.00 O ATOM 941 CB ARG A 75 -15.967 0.170 1.254 1.00 0.00 C ATOM 942 CG ARG A 75 -15.797 -1.165 0.552 1.00 0.00 C ATOM 943 CD ARG A 75 -15.922 -1.023 -0.956 1.00 0.00 C ATOM 944 NE ARG A 75 -16.274 -2.288 -1.596 1.00 0.00 N ATOM 945 CZ ARG A 75 -17.368 -2.465 -2.330 1.00 0.00 C ATOM 946 NH1 ARG A 75 -18.214 -1.462 -2.520 1.00 0.00 N ATOM 947 NH2 ARG A 75 -17.616 -3.648 -2.876 1.00 0.00 N ATOM 948 OXT ARG A 75 -17.409 -1.971 3.143 1.00 0.00 O ATOM 0 H ARG A 75 -14.535 -1.248 2.773 1.00 0.00 H new ATOM 0 HA ARG A 75 -16.285 1.038 3.193 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.813 0.698 0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.082 0.781 1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.822 -1.585 0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.548 -1.866 0.916 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.680 -0.275 -1.188 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.980 -0.659 -1.366 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.644 -3.081 -1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.026 -0.551 -2.102 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.052 -1.602 -3.084 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.967 -4.422 -2.733 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.455 -3.784 -3.439 1.00 0.00 H new TER 962 ARG A 75 ATOM 963 N ALA B 76 5.492 9.108 12.395 1.00 0.00 N ATOM 964 CA ALA B 76 5.912 8.650 11.045 1.00 0.00 C ATOM 965 C ALA B 76 6.183 7.147 11.035 1.00 0.00 C ATOM 966 O ALA B 76 7.177 6.685 11.596 1.00 0.00 O ATOM 967 CB ALA B 76 7.147 9.412 10.589 1.00 0.00 C ATOM 0 HA ALA B 76 5.097 8.852 10.350 1.00 0.00 H new ATOM 0 HB1 ALA B 76 7.443 9.066 9.599 1.00 0.00 H new ATOM 0 HB2 ALA B 76 6.923 10.478 10.549 1.00 0.00 H new ATOM 0 HB3 ALA B 76 7.962 9.239 11.292 1.00 0.00 H new ATOM 975 N PRO B 77 5.299 6.362 10.394 1.00 0.00 N ATOM 976 CA PRO B 77 5.446 4.904 10.315 1.00 0.00 C ATOM 977 C PRO B 77 6.688 4.489 9.532 1.00 0.00 C ATOM 978 O PRO B 77 6.899 4.932 8.403 1.00 0.00 O ATOM 979 CB PRO B 77 4.177 4.444 9.586 1.00 0.00 C ATOM 980 CG PRO B 77 3.232 5.593 9.675 1.00 0.00 C ATOM 981 CD PRO B 77 4.087 6.823 9.700 1.00 0.00 C ATOM 0 HA PRO B 77 5.566 4.458 11.303 1.00 0.00 H new ATOM 0 HB2 PRO B 77 4.390 4.190 8.548 1.00 0.00 H new ATOM 0 HB3 PRO B 77 3.757 3.553 10.052 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.552 5.607 8.823 1.00 0.00 H new ATOM 0 HG3 PRO B 77 2.618 5.525 10.573 1.00 0.00 H new ATOM 0 HD2 PRO B 77 4.308 7.183 8.695 1.00 0.00 H new ATOM 0 HD3 PRO B 77 3.603 7.642 10.232 1.00 0.00 H new ATOM 989 N SER B 78 7.507 3.637 10.140 1.00 0.00 N ATOM 990 CA SER B 78 8.729 3.160 9.501 1.00 0.00 C ATOM 991 C SER B 78 8.474 1.884 8.723 1.00 0.00 C ATOM 992 O SER B 78 7.925 0.916 9.250 1.00 0.00 O ATOM 993 CB SER B 78 9.817 2.927 10.547 1.00 0.00 C ATOM 994 OG SER B 78 11.105 3.152 10.004 1.00 0.00 O ATOM 0 H SER B 78 7.347 3.262 11.075 1.00 0.00 H new ATOM 0 HA SER B 78 9.065 3.925 8.802 1.00 0.00 H new ATOM 0 HB2 SER B 78 9.657 3.591 11.397 1.00 0.00 H new ATOM 0 HB3 SER B 78 9.751 1.906 10.923 1.00 0.00 H new ATOM 0 HG SER B 78 11.783 2.998 10.695 1.00 0.00 H new ATOM 1000 N ILE B 79 8.870 1.896 7.457 1.00 0.00 N ATOM 1001 CA ILE B 79 8.679 0.748 6.592 1.00 0.00 C ATOM 1002 C ILE B 79 10.011 0.153 6.142 1.00 0.00 C ATOM 1003 O ILE B 79 10.955 0.875 5.818 1.00 0.00 O ATOM 1004 CB ILE B 79 7.814 1.129 5.369 1.00 0.00 C ATOM 1005 CG1 ILE B 79 6.528 0.299 5.371 1.00 0.00 C ATOM 1006 CG2 ILE B 79 8.578 0.967 4.058 1.00 0.00 C ATOM 1007 CD1 ILE B 79 6.700 -1.115 4.857 1.00 0.00 C ATOM 0 H ILE B 79 9.326 2.691 7.009 1.00 0.00 H new ATOM 0 HA ILE B 79 8.156 -0.015 7.168 1.00 0.00 H new ATOM 0 HB ILE B 79 7.554 2.185 5.448 1.00 0.00 H new ATOM 0 HG12 ILE B 79 6.137 0.259 6.388 1.00 0.00 H new ATOM 0 HG13 ILE B 79 5.780 0.807 4.761 1.00 0.00 H new ATOM 0 HG21 ILE B 79 7.933 1.245 3.224 1.00 0.00 H new ATOM 0 HG22 ILE B 79 9.457 1.611 4.067 1.00 0.00 H new ATOM 0 HG23 ILE B 79 8.890 -0.071 3.945 1.00 0.00 H new ATOM 0 HD11 ILE B 79 5.742 -1.634 4.892 1.00 0.00 H new ATOM 0 HD12 ILE B 79 7.060 -1.087 3.829 1.00 0.00 H new ATOM 0 HD13 ILE B 79 7.422 -1.643 5.480 1.00 0.00 H new ATOM 1019 N ASP B 80 10.068 -1.173 6.126 1.00 0.00 N ATOM 1020 CA ASP B 80 11.270 -1.892 5.715 1.00 0.00 C ATOM 1021 C ASP B 80 11.074 -2.525 4.340 1.00 0.00 C ATOM 1022 O ASP B 80 10.309 -3.476 4.185 1.00 0.00 O ATOM 1023 CB ASP B 80 11.619 -2.972 6.741 1.00 0.00 C ATOM 1024 CG ASP B 80 12.730 -2.539 7.677 1.00 0.00 C ATOM 1025 OD1 ASP B 80 12.425 -1.884 8.696 1.00 0.00 O ATOM 1026 OD2 ASP B 80 13.903 -2.854 7.390 1.00 0.00 O ATOM 0 H ASP B 80 9.291 -1.777 6.395 1.00 0.00 H new ATOM 0 HA ASP B 80 12.092 -1.179 5.657 1.00 0.00 H new ATOM 0 HB2 ASP B 80 10.731 -3.217 7.324 1.00 0.00 H new ATOM 0 HB3 ASP B 80 11.919 -3.881 6.220 1.00 0.00 H new ATOM 1031 N ARG B 81 11.770 -1.983 3.344 1.00 0.00 N ATOM 1032 CA ARG B 81 11.676 -2.482 1.974 1.00 0.00 C ATOM 1033 C ARG B 81 12.328 -3.855 1.832 1.00 0.00 C ATOM 1034 O ARG B 81 12.265 -4.473 0.771 1.00 0.00 O ATOM 1035 CB ARG B 81 12.334 -1.497 1.009 1.00 0.00 C ATOM 1036 CG ARG B 81 11.836 -0.070 1.163 1.00 0.00 C ATOM 1037 CD ARG B 81 11.731 0.632 -0.182 1.00 0.00 C ATOM 1038 NE ARG B 81 12.894 0.373 -1.028 1.00 0.00 N ATOM 1039 CZ ARG B 81 14.102 0.881 -0.799 1.00 0.00 C ATOM 1040 NH1 ARG B 81 14.309 1.665 0.251 1.00 0.00 N ATOM 1041 NH2 ARG B 81 15.104 0.603 -1.620 1.00 0.00 N ATOM 0 H ARG B 81 12.408 -1.195 3.460 1.00 0.00 H new ATOM 0 HA ARG B 81 10.618 -2.582 1.730 1.00 0.00 H new ATOM 0 HB2 ARG B 81 13.413 -1.515 1.164 1.00 0.00 H new ATOM 0 HB3 ARG B 81 12.153 -1.828 -0.014 1.00 0.00 H new ATOM 0 HG2 ARG B 81 10.861 -0.074 1.649 1.00 0.00 H new ATOM 0 HG3 ARG B 81 12.513 0.485 1.812 1.00 0.00 H new ATOM 0 HD2 ARG B 81 10.829 0.299 -0.695 1.00 0.00 H new ATOM 0 HD3 ARG B 81 11.630 1.706 -0.023 1.00 0.00 H new ATOM 0 HE ARG B 81 12.773 -0.232 -1.840 1.00 0.00 H new ATOM 0 HH11 ARG B 81 13.540 1.880 0.886 1.00 0.00 H new ATOM 0 HH12 ARG B 81 15.237 2.053 0.423 1.00 0.00 H new ATOM 0 HH21 ARG B 81 14.949 -0.000 -2.428 1.00 0.00 H new ATOM 0 HH22 ARG B 81 16.030 0.992 -1.444 1.00 0.00 H new ATOM 1055 N SER B 82 12.957 -4.324 2.902 1.00 0.00 N ATOM 1056 CA SER B 82 13.622 -5.622 2.888 1.00 0.00 C ATOM 1057 C SER B 82 12.622 -6.749 3.122 1.00 0.00 C ATOM 1058 O SER B 82 13.002 -7.914 3.234 1.00 0.00 O ATOM 1059 CB SER B 82 14.716 -5.667 3.956 1.00 0.00 C ATOM 1060 OG SER B 82 15.897 -5.026 3.505 1.00 0.00 O ATOM 0 H SER B 82 13.021 -3.826 3.790 1.00 0.00 H new ATOM 0 HA SER B 82 14.074 -5.760 1.906 1.00 0.00 H new ATOM 0 HB2 SER B 82 14.361 -5.183 4.866 1.00 0.00 H new ATOM 0 HB3 SER B 82 14.936 -6.703 4.212 1.00 0.00 H new ATOM 0 HG SER B 82 16.580 -5.067 4.207 1.00 0.00 H new ATOM 1066 N THR B 83 11.345 -6.392 3.209 1.00 0.00 N ATOM 1067 CA THR B 83 10.295 -7.374 3.448 1.00 0.00 C ATOM 1068 C THR B 83 9.241 -7.367 2.339 1.00 0.00 C ATOM 1069 O THR B 83 8.108 -7.799 2.548 1.00 0.00 O ATOM 1070 CB THR B 83 9.601 -7.120 4.799 1.00 0.00 C ATOM 1071 OG1 THR B 83 8.476 -6.253 4.617 1.00 0.00 O ATOM 1072 CG2 THR B 83 10.565 -6.498 5.800 1.00 0.00 C ATOM 0 H THR B 83 11.013 -5.432 3.118 1.00 0.00 H new ATOM 0 HA THR B 83 10.780 -8.350 3.461 1.00 0.00 H new ATOM 0 HB THR B 83 9.264 -8.080 5.191 1.00 0.00 H new ATOM 0 HG1 THR B 83 7.790 -6.714 4.091 1.00 0.00 H new ATOM 0 HG21 THR B 83 10.049 -6.329 6.745 1.00 0.00 H new ATOM 0 HG22 THR B 83 11.407 -7.171 5.961 1.00 0.00 H new ATOM 0 HG23 THR B 83 10.930 -5.547 5.411 1.00 0.00 H new ATOM 1080 N LYS B 84 9.622 -6.882 1.160 1.00 0.00 N ATOM 1081 CA LYS B 84 8.706 -6.829 0.021 1.00 0.00 C ATOM 1082 C LYS B 84 8.119 -8.210 -0.273 1.00 0.00 C ATOM 1083 O LYS B 84 8.746 -9.228 0.024 1.00 0.00 O ATOM 1084 CB LYS B 84 9.434 -6.300 -1.216 1.00 0.00 C ATOM 1085 CG LYS B 84 9.252 -4.806 -1.436 1.00 0.00 C ATOM 1086 CD LYS B 84 10.579 -4.115 -1.711 1.00 0.00 C ATOM 1087 CE LYS B 84 11.106 -4.448 -3.097 1.00 0.00 C ATOM 1088 NZ LYS B 84 12.265 -3.593 -3.471 1.00 0.00 N ATOM 0 H LYS B 84 10.556 -6.521 0.967 1.00 0.00 H new ATOM 0 HA LYS B 84 7.889 -6.154 0.274 1.00 0.00 H new ATOM 0 HB2 LYS B 84 10.498 -6.518 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS B 84 9.075 -6.835 -2.095 1.00 0.00 H new ATOM 0 HG2 LYS B 84 8.575 -4.641 -2.274 1.00 0.00 H new ATOM 0 HG3 LYS B 84 8.785 -4.362 -0.557 1.00 0.00 H new ATOM 0 HD2 LYS B 84 10.454 -3.036 -1.618 1.00 0.00 H new ATOM 0 HD3 LYS B 84 11.310 -4.417 -0.961 1.00 0.00 H new ATOM 0 HE2 LYS B 84 11.403 -5.496 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS B 84 10.309 -4.319 -3.829 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 12.205 -3.349 -4.480 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 12.251 -2.722 -2.903 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 13.150 -4.110 -3.292 1.00 0.00 H new ATOM 1102 N PRO B 85 6.902 -8.265 -0.858 1.00 0.00 N ATOM 1103 CA PRO B 85 6.240 -9.531 -1.187 1.00 0.00 C ATOM 1104 C PRO B 85 7.182 -10.528 -1.848 1.00 0.00 C ATOM 1105 O PRO B 85 7.491 -10.413 -3.034 1.00 0.00 O ATOM 1106 CB PRO B 85 5.150 -9.110 -2.167 1.00 0.00 C ATOM 1107 CG PRO B 85 4.808 -7.715 -1.773 1.00 0.00 C ATOM 1108 CD PRO B 85 6.078 -7.100 -1.244 1.00 0.00 C ATOM 0 HA PRO B 85 5.868 -10.038 -0.296 1.00 0.00 H new ATOM 0 HB2 PRO B 85 5.504 -9.155 -3.197 1.00 0.00 H new ATOM 0 HB3 PRO B 85 4.282 -9.765 -2.099 1.00 0.00 H new ATOM 0 HG2 PRO B 85 4.430 -7.152 -2.626 1.00 0.00 H new ATOM 0 HG3 PRO B 85 4.026 -7.706 -1.013 1.00 0.00 H new ATOM 0 HD2 PRO B 85 6.574 -6.493 -2.002 1.00 0.00 H new ATOM 0 HD3 PRO B 85 5.882 -6.449 -0.392 1.00 0.00 H new ATOM 1116 N ALA B 86 7.636 -11.504 -1.073 1.00 0.00 N ATOM 1117 CA ALA B 86 8.545 -12.519 -1.586 1.00 0.00 C ATOM 1118 C ALA B 86 7.871 -13.886 -1.628 1.00 0.00 C ATOM 1119 O ALA B 86 6.755 -14.012 -1.083 1.00 0.00 O ATOM 1120 CB ALA B 86 9.807 -12.574 -0.738 1.00 0.00 C ATOM 1121 OXT ALA B 86 8.464 -14.819 -2.210 1.00 0.00 O ATOM 0 H ALA B 86 7.390 -11.614 -0.089 1.00 0.00 H new ATOM 0 HA ALA B 86 8.819 -12.247 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA B 86 10.478 -13.337 -1.133 1.00 0.00 H new ATOM 0 HB2 ALA B 86 10.305 -11.605 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA B 86 9.544 -12.820 0.291 1.00 0.00 H new TER 1127 ALA B 86