USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 723 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 64 SER OG : rot 179:sc= 2.36 USER MOD Set 1.2: A 67 SER OG : rot 50:sc= 1.35 USER MOD Set 2.1: A 19 TYR OH : rot 30:sc= 0.256 USER MOD Set 2.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.106 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.66 K(o=1.7,f=-3.7) USER MOD Single : A 4 TYR OH : rot -38:sc= 1.36 USER MOD Single : A 13 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 22 GLN : amide:sc= -2.73 K(o=-2.7,f=-1.5) USER MOD Single : A 23 MET CE :methyl -177:sc= 0 (180deg=-0.00851) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.21 (180deg=0.561) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= 1.1 (180deg=0.684) USER MOD Single : A 36 ASN : amide:sc= 1.15 K(o=1.2,f=-0.54) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.585 K(o=0.59,f=0) USER MOD Single : A 55 SER OG : rot 75:sc= 1.19 USER MOD Single : A 61 LYS NZ :NH3+ 156:sc= 1.24 (180deg=1.17) USER MOD Single : A 62 ASN : amide:sc= 0.812 K(o=0.81,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00123 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -70:sc= 0.692 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.484 K(o=0.48,f=-4!) USER MOD Single : A 84 HIS : no HE2:sc= 0.461 K(o=0.46,f=-1.5!) USER MOD Single : A 87 SER OG : rot -153:sc= 0.913 USER MOD Single : A 91 SER OG : rot 142:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.074 -0.114 -0.406 1.00 0.00 N ATOM 2 CA MET A 1 1.018 -0.058 -1.413 1.00 0.00 C ATOM 3 C MET A 1 1.611 -1.455 -1.638 1.00 0.00 C ATOM 4 O MET A 1 1.281 -2.408 -0.922 1.00 0.00 O ATOM 5 CB MET A 1 2.110 0.972 -1.033 1.00 0.00 C ATOM 6 CG MET A 1 1.632 2.422 -1.204 1.00 0.00 C ATOM 7 SD MET A 1 2.949 3.658 -1.035 1.00 0.00 S ATOM 8 CE MET A 1 1.977 5.172 -1.268 1.00 0.00 C ATOM 0 H1 MET A 1 -0.974 0.152 -0.855 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.148 -1.080 -0.027 1.00 0.00 H new ATOM 0 H3 MET A 1 0.135 0.547 0.369 1.00 0.00 H new ATOM 0 HA MET A 1 0.586 0.285 -2.353 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.413 0.812 0.002 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.992 0.808 -1.652 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.172 2.529 -2.186 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.858 2.628 -0.465 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.632 6.040 -1.195 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.506 5.154 -2.251 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.208 5.233 -0.498 1.00 0.00 H new ATOM 20 N LEU A 2 2.481 -1.592 -2.640 1.00 0.00 N ATOM 21 CA LEU A 2 3.212 -2.810 -2.984 1.00 0.00 C ATOM 22 C LEU A 2 4.653 -2.417 -3.325 1.00 0.00 C ATOM 23 O LEU A 2 5.009 -1.236 -3.248 1.00 0.00 O ATOM 24 CB LEU A 2 2.504 -3.538 -4.153 1.00 0.00 C ATOM 25 CG LEU A 2 1.867 -4.875 -3.729 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.999 -5.421 -4.869 1.00 0.00 C ATOM 27 CD2 LEU A 2 2.917 -5.931 -3.356 1.00 0.00 C ATOM 0 H LEU A 2 2.705 -0.817 -3.264 1.00 0.00 H new ATOM 0 HA LEU A 2 3.231 -3.509 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.732 -2.888 -4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.225 -3.721 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 2 1.262 -4.674 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.551 -6.367 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.211 -4.704 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.617 -5.581 -5.753 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.417 -6.854 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.561 -6.123 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.520 -5.567 -2.524 1.00 0.00 H new ATOM 39 N GLN A 3 5.494 -3.390 -3.675 1.00 0.00 N ATOM 40 CA GLN A 3 6.910 -3.189 -3.943 1.00 0.00 C ATOM 41 C GLN A 3 7.351 -4.219 -4.991 1.00 0.00 C ATOM 42 O GLN A 3 6.732 -5.280 -5.128 1.00 0.00 O ATOM 43 CB GLN A 3 7.646 -3.352 -2.598 1.00 0.00 C ATOM 44 CG GLN A 3 9.169 -3.158 -2.590 1.00 0.00 C ATOM 45 CD GLN A 3 9.763 -3.639 -1.268 1.00 0.00 C ATOM 46 OE1 GLN A 3 9.454 -4.733 -0.801 1.00 0.00 O ATOM 47 NE2 GLN A 3 10.605 -2.852 -0.627 1.00 0.00 N ATOM 0 H GLN A 3 5.199 -4.361 -3.781 1.00 0.00 H new ATOM 0 HA GLN A 3 7.135 -2.201 -4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.214 -2.644 -1.891 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.433 -4.351 -2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.616 -3.709 -3.418 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.408 -2.105 -2.741 1.00 0.00 H new ATOM 0 HE21 GLN A 3 10.857 -1.945 -1.021 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.005 -3.150 0.263 1.00 0.00 H new ATOM 56 N TYR A 4 8.426 -3.932 -5.723 1.00 0.00 N ATOM 57 CA TYR A 4 9.098 -4.914 -6.564 1.00 0.00 C ATOM 58 C TYR A 4 10.601 -4.654 -6.619 1.00 0.00 C ATOM 59 O TYR A 4 11.082 -3.578 -6.252 1.00 0.00 O ATOM 60 CB TYR A 4 8.468 -4.984 -7.970 1.00 0.00 C ATOM 61 CG TYR A 4 8.391 -3.726 -8.827 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.530 -2.942 -9.116 1.00 0.00 C ATOM 63 CD2 TYR A 4 7.175 -3.438 -9.479 1.00 0.00 C ATOM 64 CE1 TYR A 4 9.470 -1.917 -10.074 1.00 0.00 C ATOM 65 CE2 TYR A 4 7.115 -2.428 -10.450 1.00 0.00 C ATOM 66 CZ TYR A 4 8.268 -1.688 -10.780 1.00 0.00 C ATOM 67 OH TYR A 4 8.231 -0.821 -11.826 1.00 0.00 O ATOM 0 H TYR A 4 8.855 -3.007 -5.748 1.00 0.00 H new ATOM 0 HA TYR A 4 8.957 -5.895 -6.109 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.022 -5.731 -8.538 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.452 -5.361 -7.853 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.456 -3.133 -8.595 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.286 -3.998 -9.230 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.339 -1.306 -10.270 1.00 0.00 H new ATOM 0 HE2 TYR A 4 6.180 -2.216 -10.948 1.00 0.00 H new ATOM 0 HH TYR A 4 8.802 -0.049 -11.631 1.00 0.00 H new ATOM 77 N ARG A 5 11.318 -5.629 -7.173 1.00 0.00 N ATOM 78 CA ARG A 5 12.670 -5.513 -7.698 1.00 0.00 C ATOM 79 C ARG A 5 12.580 -5.959 -9.155 1.00 0.00 C ATOM 80 O ARG A 5 11.874 -6.924 -9.452 1.00 0.00 O ATOM 81 CB ARG A 5 13.597 -6.424 -6.880 1.00 0.00 C ATOM 82 CG ARG A 5 15.067 -6.382 -7.335 1.00 0.00 C ATOM 83 CD ARG A 5 15.907 -7.440 -6.603 1.00 0.00 C ATOM 84 NE ARG A 5 15.447 -8.813 -6.903 1.00 0.00 N ATOM 85 CZ ARG A 5 15.935 -9.947 -6.385 1.00 0.00 C ATOM 86 NH1 ARG A 5 16.964 -9.926 -5.541 1.00 0.00 N ATOM 87 NH2 ARG A 5 15.370 -11.101 -6.722 1.00 0.00 N ATOM 0 H ARG A 5 10.947 -6.574 -7.272 1.00 0.00 H new ATOM 0 HA ARG A 5 13.073 -4.502 -7.634 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.543 -6.134 -5.831 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.235 -7.450 -6.947 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.122 -6.551 -8.410 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.481 -5.391 -7.146 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.953 -7.336 -6.891 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.854 -7.266 -5.528 1.00 0.00 H new ATOM 0 HE ARG A 5 14.682 -8.905 -7.571 1.00 0.00 H new ATOM 0 HH11 ARG A 5 17.392 -9.037 -5.281 1.00 0.00 H new ATOM 0 HH12 ARG A 5 17.325 -10.798 -5.155 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.578 -11.113 -7.365 1.00 0.00 H new ATOM 0 HH22 ARG A 5 15.728 -11.975 -6.338 1.00 0.00 H new ATOM 101 N ILE A 6 13.282 -5.287 -10.057 1.00 0.00 N ATOM 102 CA ILE A 6 13.352 -5.623 -11.472 1.00 0.00 C ATOM 103 C ILE A 6 14.830 -5.584 -11.839 1.00 0.00 C ATOM 104 O ILE A 6 15.552 -4.688 -11.400 1.00 0.00 O ATOM 105 CB ILE A 6 12.478 -4.651 -12.310 1.00 0.00 C ATOM 106 CG1 ILE A 6 10.999 -4.802 -11.894 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.639 -4.890 -13.823 1.00 0.00 C ATOM 108 CD1 ILE A 6 9.992 -3.948 -12.668 1.00 0.00 C ATOM 0 H ILE A 6 13.837 -4.466 -9.816 1.00 0.00 H new ATOM 0 HA ILE A 6 12.949 -6.613 -11.686 1.00 0.00 H new ATOM 0 HB ILE A 6 12.814 -3.634 -12.110 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.717 -5.849 -12.004 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.914 -4.558 -10.835 1.00 0.00 H new ATOM 0 HG21 ILE A 6 12.010 -4.189 -14.371 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.681 -4.741 -14.106 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.340 -5.910 -14.064 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.988 -4.137 -12.290 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.235 -2.893 -12.540 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.035 -4.204 -13.727 1.00 0.00 H new ATOM 120 N ILE A 7 15.270 -6.532 -12.661 1.00 0.00 N ATOM 121 CA ILE A 7 16.612 -6.580 -13.223 1.00 0.00 C ATOM 122 C ILE A 7 16.407 -6.508 -14.736 1.00 0.00 C ATOM 123 O ILE A 7 15.498 -7.153 -15.263 1.00 0.00 O ATOM 124 CB ILE A 7 17.363 -7.860 -12.779 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.304 -8.157 -11.260 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.825 -7.832 -13.257 1.00 0.00 C ATOM 127 CD1 ILE A 7 17.944 -7.100 -10.354 1.00 0.00 C ATOM 0 H ILE A 7 14.684 -7.310 -12.962 1.00 0.00 H new ATOM 0 HA ILE A 7 17.240 -5.760 -12.874 1.00 0.00 H new ATOM 0 HB ILE A 7 16.827 -8.678 -13.260 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.259 -8.273 -10.971 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.794 -9.113 -11.075 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.331 -8.741 -12.933 1.00 0.00 H new ATOM 0 HG22 ILE A 7 18.851 -7.770 -14.345 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.330 -6.965 -12.832 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.847 -7.407 -9.313 1.00 0.00 H new ATOM 0 HD12 ILE A 7 19.000 -6.996 -10.605 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.441 -6.144 -10.499 1.00 0.00 H new ATOM 139 N VAL A 8 17.229 -5.732 -15.437 1.00 0.00 N ATOM 140 CA VAL A 8 17.107 -5.496 -16.871 1.00 0.00 C ATOM 141 C VAL A 8 18.496 -5.708 -17.466 1.00 0.00 C ATOM 142 O VAL A 8 19.496 -5.299 -16.871 1.00 0.00 O ATOM 143 CB VAL A 8 16.556 -4.075 -17.150 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.090 -3.956 -18.607 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.368 -3.684 -16.255 1.00 0.00 C ATOM 0 H VAL A 8 18.015 -5.239 -15.014 1.00 0.00 H new ATOM 0 HA VAL A 8 16.396 -6.182 -17.331 1.00 0.00 H new ATOM 0 HB VAL A 8 17.385 -3.401 -16.934 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.706 -2.952 -18.785 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.930 -4.147 -19.275 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.302 -4.685 -18.798 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.037 -2.677 -16.509 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.548 -4.385 -16.411 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.675 -3.712 -15.210 1.00 0.00 H new ATOM 155 N ASP A 9 18.564 -6.352 -18.627 1.00 0.00 N ATOM 156 CA ASP A 9 19.796 -6.804 -19.259 1.00 0.00 C ATOM 157 C ASP A 9 19.760 -6.435 -20.741 1.00 0.00 C ATOM 158 O ASP A 9 18.680 -6.333 -21.330 1.00 0.00 O ATOM 159 CB ASP A 9 19.905 -8.324 -19.105 1.00 0.00 C ATOM 160 CG ASP A 9 21.171 -8.876 -19.776 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.235 -8.226 -19.670 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.119 -9.983 -20.356 1.00 0.00 O ATOM 0 H ASP A 9 17.733 -6.581 -19.172 1.00 0.00 H new ATOM 0 HA ASP A 9 20.657 -6.329 -18.789 1.00 0.00 H new ATOM 0 HB2 ASP A 9 19.913 -8.582 -18.046 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.026 -8.798 -19.542 1.00 0.00 H new ATOM 167 N GLY A 10 20.931 -6.224 -21.339 1.00 0.00 N ATOM 168 CA GLY A 10 21.092 -5.852 -22.734 1.00 0.00 C ATOM 169 C GLY A 10 22.026 -4.658 -22.863 1.00 0.00 C ATOM 170 O GLY A 10 22.859 -4.399 -21.989 1.00 0.00 O ATOM 0 H GLY A 10 21.819 -6.311 -20.846 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.491 -6.695 -23.298 1.00 0.00 H new ATOM 0 HA3 GLY A 10 20.121 -5.610 -23.166 1.00 0.00 H new ATOM 174 N ARG A 11 21.876 -3.906 -23.952 1.00 0.00 N ATOM 175 CA ARG A 11 22.465 -2.579 -24.088 1.00 0.00 C ATOM 176 C ARG A 11 21.639 -1.648 -23.198 1.00 0.00 C ATOM 177 O ARG A 11 20.676 -1.062 -23.691 1.00 0.00 O ATOM 178 CB ARG A 11 22.444 -2.162 -25.573 1.00 0.00 C ATOM 179 CG ARG A 11 23.133 -0.811 -25.842 1.00 0.00 C ATOM 180 CD ARG A 11 22.428 -0.008 -26.943 1.00 0.00 C ATOM 181 NE ARG A 11 22.374 -0.713 -28.234 1.00 0.00 N ATOM 182 CZ ARG A 11 21.594 -0.372 -29.269 1.00 0.00 C ATOM 183 NH1 ARG A 11 20.745 0.651 -29.179 1.00 0.00 N ATOM 184 NH2 ARG A 11 21.668 -1.063 -30.403 1.00 0.00 N ATOM 0 H ARG A 11 21.340 -4.203 -24.767 1.00 0.00 H new ATOM 0 HA ARG A 11 23.508 -2.545 -23.774 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.933 -2.935 -26.166 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.410 -2.107 -25.912 1.00 0.00 H new ATOM 0 HG2 ARG A 11 23.151 -0.225 -24.923 1.00 0.00 H new ATOM 0 HG3 ARG A 11 24.170 -0.985 -26.129 1.00 0.00 H new ATOM 0 HD2 ARG A 11 21.413 0.224 -26.621 1.00 0.00 H new ATOM 0 HD3 ARG A 11 22.945 0.942 -27.077 1.00 0.00 H new ATOM 0 HE ARG A 11 22.979 -1.526 -28.350 1.00 0.00 H new ATOM 0 HH11 ARG A 11 20.682 1.187 -28.313 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.158 0.898 -29.976 1.00 0.00 H new ATOM 0 HH21 ARG A 11 22.316 -1.847 -30.481 1.00 0.00 H new ATOM 0 HH22 ARG A 11 21.077 -0.809 -31.195 1.00 0.00 H new ATOM 198 N VAL A 12 21.953 -1.568 -21.900 1.00 0.00 N ATOM 199 CA VAL A 12 21.143 -0.819 -20.931 1.00 0.00 C ATOM 200 C VAL A 12 21.973 0.007 -19.931 1.00 0.00 C ATOM 201 O VAL A 12 21.419 0.903 -19.300 1.00 0.00 O ATOM 202 CB VAL A 12 20.159 -1.770 -20.200 1.00 0.00 C ATOM 203 CG1 VAL A 12 19.122 -2.387 -21.151 1.00 0.00 C ATOM 204 CG2 VAL A 12 20.852 -2.909 -19.435 1.00 0.00 C ATOM 0 H VAL A 12 22.772 -2.018 -21.492 1.00 0.00 H new ATOM 0 HA VAL A 12 20.574 -0.088 -21.505 1.00 0.00 H new ATOM 0 HB VAL A 12 19.659 -1.124 -19.478 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.458 -3.044 -20.589 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.538 -1.593 -21.617 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.633 -2.962 -21.923 1.00 0.00 H new ATOM 0 HG21 VAL A 12 20.100 -3.532 -18.950 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.431 -3.515 -20.131 1.00 0.00 H new ATOM 0 HG23 VAL A 12 21.517 -2.489 -18.680 1.00 0.00 H new ATOM 214 N GLN A 13 23.279 -0.249 -19.756 1.00 0.00 N ATOM 215 CA GLN A 13 24.037 0.379 -18.663 1.00 0.00 C ATOM 216 C GLN A 13 24.490 1.813 -18.975 1.00 0.00 C ATOM 217 O GLN A 13 24.611 2.626 -18.054 1.00 0.00 O ATOM 218 CB GLN A 13 25.269 -0.467 -18.298 1.00 0.00 C ATOM 219 CG GLN A 13 24.912 -1.853 -17.739 1.00 0.00 C ATOM 220 CD GLN A 13 26.112 -2.505 -17.045 1.00 0.00 C ATOM 221 OE1 GLN A 13 27.219 -2.564 -17.575 1.00 0.00 O ATOM 222 NE2 GLN A 13 25.920 -2.992 -15.830 1.00 0.00 N ATOM 0 H GLN A 13 23.825 -0.876 -20.347 1.00 0.00 H new ATOM 0 HA GLN A 13 23.347 0.430 -17.821 1.00 0.00 H new ATOM 0 HB2 GLN A 13 25.892 -0.590 -19.184 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.865 0.071 -17.561 1.00 0.00 H new ATOM 0 HG2 GLN A 13 24.088 -1.760 -17.032 1.00 0.00 H new ATOM 0 HG3 GLN A 13 24.566 -2.495 -18.549 1.00 0.00 H new ATOM 0 HE21 GLN A 13 24.997 -2.938 -15.399 1.00 0.00 H new ATOM 0 HE22 GLN A 13 26.695 -3.421 -15.324 1.00 0.00 H new ATOM 231 N GLY A 14 24.754 2.132 -20.247 1.00 0.00 N ATOM 232 CA GLY A 14 25.494 3.330 -20.656 1.00 0.00 C ATOM 233 C GLY A 14 24.780 4.089 -21.770 1.00 0.00 C ATOM 234 O GLY A 14 25.423 4.595 -22.692 1.00 0.00 O ATOM 0 H GLY A 14 24.454 1.555 -21.033 1.00 0.00 H new ATOM 0 HA2 GLY A 14 25.625 3.987 -19.796 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.490 3.044 -20.993 1.00 0.00 H new ATOM 238 N VAL A 15 23.449 4.125 -21.704 1.00 0.00 N ATOM 239 CA VAL A 15 22.555 4.613 -22.760 1.00 0.00 C ATOM 240 C VAL A 15 21.455 5.499 -22.155 1.00 0.00 C ATOM 241 O VAL A 15 20.314 5.515 -22.619 1.00 0.00 O ATOM 242 CB VAL A 15 22.021 3.416 -23.581 1.00 0.00 C ATOM 243 CG1 VAL A 15 23.098 2.875 -24.529 1.00 0.00 C ATOM 244 CG2 VAL A 15 21.517 2.263 -22.698 1.00 0.00 C ATOM 0 H VAL A 15 22.941 3.802 -20.880 1.00 0.00 H new ATOM 0 HA VAL A 15 23.097 5.249 -23.459 1.00 0.00 H new ATOM 0 HB VAL A 15 21.177 3.802 -24.152 1.00 0.00 H new ATOM 0 HG11 VAL A 15 22.696 2.034 -25.094 1.00 0.00 H new ATOM 0 HG12 VAL A 15 23.405 3.662 -25.218 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.960 2.544 -23.950 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.155 1.452 -23.330 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.333 1.899 -22.073 1.00 0.00 H new ATOM 0 HG23 VAL A 15 20.705 2.619 -22.063 1.00 0.00 H new ATOM 254 N GLY A 16 21.770 6.195 -21.059 1.00 0.00 N ATOM 255 CA GLY A 16 20.857 7.121 -20.398 1.00 0.00 C ATOM 256 C GLY A 16 19.812 6.429 -19.520 1.00 0.00 C ATOM 257 O GLY A 16 19.101 7.108 -18.781 1.00 0.00 O ATOM 0 H GLY A 16 22.680 6.127 -20.603 1.00 0.00 H new ATOM 0 HA2 GLY A 16 21.435 7.812 -19.784 1.00 0.00 H new ATOM 0 HA3 GLY A 16 20.347 7.717 -21.155 1.00 0.00 H new ATOM 261 N PHE A 17 19.701 5.097 -19.569 1.00 0.00 N ATOM 262 CA PHE A 17 18.566 4.384 -18.997 1.00 0.00 C ATOM 263 C PHE A 17 18.428 4.582 -17.487 1.00 0.00 C ATOM 264 O PHE A 17 17.311 4.744 -17.007 1.00 0.00 O ATOM 265 CB PHE A 17 18.637 2.896 -19.359 1.00 0.00 C ATOM 266 CG PHE A 17 17.440 2.075 -18.907 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.132 2.544 -19.134 1.00 0.00 C ATOM 268 CD2 PHE A 17 17.630 0.847 -18.245 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.024 1.803 -18.701 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.519 0.094 -17.824 1.00 0.00 C ATOM 271 CZ PHE A 17 15.216 0.571 -18.053 1.00 0.00 C ATOM 0 H PHE A 17 20.395 4.490 -20.005 1.00 0.00 H new ATOM 0 HA PHE A 17 17.666 4.815 -19.436 1.00 0.00 H new ATOM 0 HB2 PHE A 17 18.736 2.803 -20.440 1.00 0.00 H new ATOM 0 HB3 PHE A 17 19.539 2.471 -18.918 1.00 0.00 H new ATOM 0 HD1 PHE A 17 15.981 3.483 -19.646 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.630 0.483 -18.060 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.025 2.178 -18.865 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.667 -0.852 -17.324 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.364 -0.009 -17.731 1.00 0.00 H new ATOM 281 N ARG A 18 19.523 4.651 -16.726 1.00 0.00 N ATOM 282 CA ARG A 18 19.440 4.904 -15.279 1.00 0.00 C ATOM 283 C ARG A 18 18.717 6.226 -14.993 1.00 0.00 C ATOM 284 O ARG A 18 17.907 6.300 -14.070 1.00 0.00 O ATOM 285 CB ARG A 18 20.850 4.877 -14.665 1.00 0.00 C ATOM 286 CG ARG A 18 21.420 3.447 -14.608 1.00 0.00 C ATOM 287 CD ARG A 18 22.913 3.409 -14.253 1.00 0.00 C ATOM 288 NE ARG A 18 23.757 3.801 -15.400 1.00 0.00 N ATOM 289 CZ ARG A 18 24.362 4.977 -15.607 1.00 0.00 C ATOM 290 NH1 ARG A 18 24.262 5.973 -14.729 1.00 0.00 N ATOM 291 NH2 ARG A 18 25.061 5.133 -16.724 1.00 0.00 N ATOM 0 H ARG A 18 20.472 4.537 -17.081 1.00 0.00 H new ATOM 0 HA ARG A 18 18.851 4.115 -14.812 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.515 5.510 -15.252 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.817 5.296 -13.659 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.862 2.869 -13.871 1.00 0.00 H new ATOM 0 HG3 ARG A 18 21.269 2.963 -15.573 1.00 0.00 H new ATOM 0 HD2 ARG A 18 23.105 4.078 -13.414 1.00 0.00 H new ATOM 0 HD3 ARG A 18 23.184 2.405 -13.928 1.00 0.00 H new ATOM 0 HE ARG A 18 23.895 3.092 -16.120 1.00 0.00 H new ATOM 0 HH11 ARG A 18 23.715 5.849 -13.877 1.00 0.00 H new ATOM 0 HH12 ARG A 18 24.732 6.860 -14.909 1.00 0.00 H new ATOM 0 HH21 ARG A 18 25.126 4.368 -17.396 1.00 0.00 H new ATOM 0 HH22 ARG A 18 25.534 6.017 -16.911 1.00 0.00 H new ATOM 305 N TYR A 19 18.958 7.252 -15.810 1.00 0.00 N ATOM 306 CA TYR A 19 18.308 8.550 -15.684 1.00 0.00 C ATOM 307 C TYR A 19 16.876 8.480 -16.227 1.00 0.00 C ATOM 308 O TYR A 19 15.980 9.074 -15.633 1.00 0.00 O ATOM 309 CB TYR A 19 19.148 9.627 -16.392 1.00 0.00 C ATOM 310 CG TYR A 19 20.623 9.571 -16.020 1.00 0.00 C ATOM 311 CD1 TYR A 19 21.088 10.160 -14.829 1.00 0.00 C ATOM 312 CD2 TYR A 19 21.515 8.837 -16.824 1.00 0.00 C ATOM 313 CE1 TYR A 19 22.426 9.983 -14.425 1.00 0.00 C ATOM 314 CE2 TYR A 19 22.849 8.651 -16.428 1.00 0.00 C ATOM 315 CZ TYR A 19 23.308 9.210 -15.215 1.00 0.00 C ATOM 316 OH TYR A 19 24.590 8.971 -14.814 1.00 0.00 O ATOM 0 H TYR A 19 19.618 7.201 -16.586 1.00 0.00 H new ATOM 0 HA TYR A 19 18.240 8.826 -14.632 1.00 0.00 H new ATOM 0 HB2 TYR A 19 19.046 9.508 -17.471 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.753 10.611 -16.141 1.00 0.00 H new ATOM 0 HD1 TYR A 19 20.417 10.750 -14.223 1.00 0.00 H new ATOM 0 HD2 TYR A 19 21.170 8.412 -17.755 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.778 10.438 -13.511 1.00 0.00 H new ATOM 0 HE2 TYR A 19 23.523 8.081 -17.050 1.00 0.00 H new ATOM 0 HH TYR A 19 24.630 8.959 -13.835 1.00 0.00 H new ATOM 326 N PHE A 20 16.629 7.714 -17.299 1.00 0.00 N ATOM 327 CA PHE A 20 15.282 7.460 -17.810 1.00 0.00 C ATOM 328 C PHE A 20 14.405 6.888 -16.695 1.00 0.00 C ATOM 329 O PHE A 20 13.348 7.437 -16.397 1.00 0.00 O ATOM 330 CB PHE A 20 15.331 6.508 -19.019 1.00 0.00 C ATOM 331 CG PHE A 20 14.026 6.375 -19.781 1.00 0.00 C ATOM 332 CD1 PHE A 20 13.672 7.333 -20.751 1.00 0.00 C ATOM 333 CD2 PHE A 20 13.178 5.274 -19.545 1.00 0.00 C ATOM 334 CE1 PHE A 20 12.478 7.188 -21.481 1.00 0.00 C ATOM 335 CE2 PHE A 20 11.991 5.125 -20.283 1.00 0.00 C ATOM 336 CZ PHE A 20 11.640 6.082 -21.251 1.00 0.00 C ATOM 0 H PHE A 20 17.364 7.253 -17.836 1.00 0.00 H new ATOM 0 HA PHE A 20 14.846 8.401 -18.147 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.102 6.856 -19.706 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.635 5.520 -18.673 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.317 8.179 -20.934 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.441 4.543 -18.795 1.00 0.00 H new ATOM 0 HE1 PHE A 20 12.204 7.927 -22.219 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.349 4.275 -20.106 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.728 5.968 -21.818 1.00 0.00 H new ATOM 346 N VAL A 21 14.876 5.832 -16.025 1.00 0.00 N ATOM 347 CA VAL A 21 14.188 5.206 -14.904 1.00 0.00 C ATOM 348 C VAL A 21 14.011 6.216 -13.765 1.00 0.00 C ATOM 349 O VAL A 21 12.940 6.248 -13.164 1.00 0.00 O ATOM 350 CB VAL A 21 14.961 3.944 -14.465 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.343 3.273 -13.236 1.00 0.00 C ATOM 352 CG2 VAL A 21 14.974 2.881 -15.570 1.00 0.00 C ATOM 0 H VAL A 21 15.763 5.384 -16.255 1.00 0.00 H new ATOM 0 HA VAL A 21 13.189 4.890 -15.205 1.00 0.00 H new ATOM 0 HB VAL A 21 15.967 4.297 -14.238 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.926 2.391 -12.971 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.344 3.973 -12.400 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.318 2.976 -13.460 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.527 2.006 -15.227 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.950 2.593 -15.810 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.454 3.287 -16.460 1.00 0.00 H new ATOM 362 N GLN A 22 15.015 7.057 -13.479 1.00 0.00 N ATOM 363 CA GLN A 22 14.909 8.063 -12.426 1.00 0.00 C ATOM 364 C GLN A 22 13.703 8.971 -12.668 1.00 0.00 C ATOM 365 O GLN A 22 12.878 9.170 -11.775 1.00 0.00 O ATOM 366 CB GLN A 22 16.223 8.868 -12.317 1.00 0.00 C ATOM 367 CG GLN A 22 16.321 9.691 -11.017 1.00 0.00 C ATOM 368 CD GLN A 22 16.497 8.852 -9.750 1.00 0.00 C ATOM 369 OE1 GLN A 22 16.327 9.339 -8.642 1.00 0.00 O ATOM 370 NE2 GLN A 22 16.817 7.574 -9.884 1.00 0.00 N ATOM 0 H GLN A 22 15.911 7.056 -13.967 1.00 0.00 H new ATOM 0 HA GLN A 22 14.751 7.560 -11.472 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.068 8.182 -12.370 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.303 9.539 -13.172 1.00 0.00 H new ATOM 0 HG2 GLN A 22 17.160 10.381 -11.101 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.420 10.296 -10.915 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.957 7.178 -10.814 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.924 6.986 -9.058 1.00 0.00 H new ATOM 379 N MET A 23 13.583 9.491 -13.887 1.00 0.00 N ATOM 380 CA MET A 23 12.525 10.423 -14.240 1.00 0.00 C ATOM 381 C MET A 23 11.180 9.697 -14.341 1.00 0.00 C ATOM 382 O MET A 23 10.154 10.248 -13.943 1.00 0.00 O ATOM 383 CB MET A 23 12.904 11.137 -15.543 1.00 0.00 C ATOM 384 CG MET A 23 14.190 11.959 -15.345 1.00 0.00 C ATOM 385 SD MET A 23 14.728 12.915 -16.792 1.00 0.00 S ATOM 386 CE MET A 23 15.293 11.583 -17.888 1.00 0.00 C ATOM 0 H MET A 23 14.219 9.276 -14.655 1.00 0.00 H new ATOM 0 HA MET A 23 12.413 11.176 -13.460 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.050 10.405 -16.338 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.091 11.791 -15.858 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.039 12.646 -14.512 1.00 0.00 H new ATOM 0 HG3 MET A 23 14.994 11.282 -15.058 1.00 0.00 H new ATOM 0 HE1 MET A 23 15.704 12.013 -18.801 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.062 10.998 -17.384 1.00 0.00 H new ATOM 0 HE3 MET A 23 14.452 10.936 -18.138 1.00 0.00 H new ATOM 396 N GLU A 24 11.167 8.449 -14.811 1.00 0.00 N ATOM 397 CA GLU A 24 9.953 7.650 -14.913 1.00 0.00 C ATOM 398 C GLU A 24 9.427 7.206 -13.544 1.00 0.00 C ATOM 399 O GLU A 24 8.222 6.985 -13.419 1.00 0.00 O ATOM 400 CB GLU A 24 10.191 6.448 -15.842 1.00 0.00 C ATOM 401 CG GLU A 24 10.155 6.858 -17.324 1.00 0.00 C ATOM 402 CD GLU A 24 8.779 7.410 -17.720 1.00 0.00 C ATOM 403 OE1 GLU A 24 7.769 6.693 -17.543 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.680 8.588 -18.133 1.00 0.00 O ATOM 0 H GLU A 24 12.005 7.965 -15.133 1.00 0.00 H new ATOM 0 HA GLU A 24 9.176 8.280 -15.346 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.156 5.997 -15.613 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.432 5.688 -15.656 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.919 7.612 -17.513 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.396 5.997 -17.947 1.00 0.00 H new ATOM 411 N ALA A 25 10.274 7.105 -12.517 1.00 0.00 N ATOM 412 CA ALA A 25 9.822 6.927 -11.144 1.00 0.00 C ATOM 413 C ALA A 25 9.280 8.251 -10.610 1.00 0.00 C ATOM 414 O ALA A 25 8.189 8.295 -10.036 1.00 0.00 O ATOM 415 CB ALA A 25 10.990 6.469 -10.269 1.00 0.00 C ATOM 0 H ALA A 25 11.288 7.145 -12.618 1.00 0.00 H new ATOM 0 HA ALA A 25 9.036 6.173 -11.121 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.646 6.337 -9.243 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.378 5.523 -10.646 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.779 7.220 -10.294 1.00 0.00 H new ATOM 421 N ASP A 26 10.036 9.336 -10.812 1.00 0.00 N ATOM 422 CA ASP A 26 9.704 10.660 -10.294 1.00 0.00 C ATOM 423 C ASP A 26 8.357 11.153 -10.819 1.00 0.00 C ATOM 424 O ASP A 26 7.572 11.708 -10.051 1.00 0.00 O ATOM 425 CB ASP A 26 10.805 11.665 -10.647 1.00 0.00 C ATOM 426 CG ASP A 26 10.440 13.072 -10.145 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.556 13.332 -8.928 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.065 13.933 -10.973 1.00 0.00 O ATOM 0 H ASP A 26 10.905 9.315 -11.346 1.00 0.00 H new ATOM 0 HA ASP A 26 9.629 10.576 -9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.749 11.349 -10.203 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.952 11.686 -11.727 1.00 0.00 H new ATOM 433 N LYS A 27 8.026 10.881 -12.089 1.00 0.00 N ATOM 434 CA LYS A 27 6.747 11.291 -12.672 1.00 0.00 C ATOM 435 C LYS A 27 5.535 10.522 -12.126 1.00 0.00 C ATOM 436 O LYS A 27 4.403 10.854 -12.476 1.00 0.00 O ATOM 437 CB LYS A 27 6.848 11.391 -14.208 1.00 0.00 C ATOM 438 CG LYS A 27 6.821 10.084 -15.023 1.00 0.00 C ATOM 439 CD LYS A 27 5.412 9.737 -15.539 1.00 0.00 C ATOM 440 CE LYS A 27 5.403 8.708 -16.682 1.00 0.00 C ATOM 441 NZ LYS A 27 5.983 9.213 -17.950 1.00 0.00 N ATOM 0 H LYS A 27 8.633 10.375 -12.734 1.00 0.00 H new ATOM 0 HA LYS A 27 6.535 12.304 -12.330 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.027 12.018 -14.556 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.773 11.915 -14.448 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.502 10.174 -15.869 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.189 9.266 -14.403 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.817 9.351 -14.711 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.926 10.650 -15.882 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.958 7.824 -16.367 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.376 8.391 -16.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.650 8.626 -18.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.685 10.198 -18.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.021 9.169 -17.899 1.00 0.00 H new ATOM 455 N ARG A 28 5.746 9.547 -11.232 1.00 0.00 N ATOM 456 CA ARG A 28 4.703 8.892 -10.432 1.00 0.00 C ATOM 457 C ARG A 28 4.980 9.044 -8.927 1.00 0.00 C ATOM 458 O ARG A 28 4.298 8.415 -8.120 1.00 0.00 O ATOM 459 CB ARG A 28 4.627 7.406 -10.823 1.00 0.00 C ATOM 460 CG ARG A 28 4.043 7.145 -12.222 1.00 0.00 C ATOM 461 CD ARG A 28 4.936 6.147 -12.959 1.00 0.00 C ATOM 462 NE ARG A 28 4.446 5.860 -14.320 1.00 0.00 N ATOM 463 CZ ARG A 28 5.219 5.661 -15.397 1.00 0.00 C ATOM 464 NH1 ARG A 28 6.542 5.727 -15.310 1.00 0.00 N ATOM 465 NH2 ARG A 28 4.668 5.445 -16.586 1.00 0.00 N ATOM 0 H ARG A 28 6.678 9.180 -11.040 1.00 0.00 H new ATOM 0 HA ARG A 28 3.746 9.371 -10.637 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.629 6.979 -10.776 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.021 6.880 -10.086 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.029 6.753 -12.139 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.979 8.078 -12.783 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.950 6.543 -13.016 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.987 5.219 -12.390 1.00 0.00 H new ATOM 0 HE ARG A 28 3.436 5.809 -14.453 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.985 5.932 -14.414 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.116 5.573 -16.139 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.653 5.430 -16.682 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.260 5.294 -17.403 1.00 0.00 H new ATOM 479 N LYS A 29 5.973 9.857 -8.536 1.00 0.00 N ATOM 480 CA LYS A 29 6.495 9.984 -7.172 1.00 0.00 C ATOM 481 C LYS A 29 6.739 8.618 -6.509 1.00 0.00 C ATOM 482 O LYS A 29 6.505 8.456 -5.309 1.00 0.00 O ATOM 483 CB LYS A 29 5.607 10.936 -6.344 1.00 0.00 C ATOM 484 CG LYS A 29 5.513 12.342 -6.963 1.00 0.00 C ATOM 485 CD LYS A 29 4.665 13.271 -6.087 1.00 0.00 C ATOM 486 CE LYS A 29 4.588 14.668 -6.721 1.00 0.00 C ATOM 487 NZ LYS A 29 3.775 15.608 -5.910 1.00 0.00 N ATOM 0 H LYS A 29 6.454 10.470 -9.194 1.00 0.00 H new ATOM 0 HA LYS A 29 7.483 10.441 -7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.606 10.512 -6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.007 11.014 -5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.513 12.759 -7.080 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.076 12.276 -7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.662 12.860 -5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.099 13.339 -5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.595 15.068 -6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.159 14.589 -7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.751 16.537 -6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.806 15.241 -5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.197 15.706 -4.965 1.00 0.00 H new ATOM 501 N LEU A 30 7.188 7.624 -7.285 1.00 0.00 N ATOM 502 CA LEU A 30 7.634 6.339 -6.742 1.00 0.00 C ATOM 503 C LEU A 30 8.947 6.550 -5.981 1.00 0.00 C ATOM 504 O LEU A 30 9.613 7.573 -6.161 1.00 0.00 O ATOM 505 CB LEU A 30 7.794 5.307 -7.873 1.00 0.00 C ATOM 506 CG LEU A 30 6.453 4.888 -8.507 1.00 0.00 C ATOM 507 CD1 LEU A 30 6.706 4.031 -9.743 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.567 4.102 -7.537 1.00 0.00 C ATOM 0 H LEU A 30 7.252 7.689 -8.301 1.00 0.00 H new ATOM 0 HA LEU A 30 6.888 5.947 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.440 5.722 -8.646 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.295 4.422 -7.480 1.00 0.00 H new ATOM 0 HG LEU A 30 5.931 5.806 -8.775 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.753 3.739 -10.185 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.283 4.602 -10.470 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.263 3.138 -9.459 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.635 3.831 -8.033 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.086 3.197 -7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.348 4.717 -6.664 1.00 0.00 H new ATOM 520 N ALA A 31 9.326 5.590 -5.133 1.00 0.00 N ATOM 521 CA ALA A 31 10.431 5.743 -4.193 1.00 0.00 C ATOM 522 C ALA A 31 11.198 4.425 -4.053 1.00 0.00 C ATOM 523 O ALA A 31 10.587 3.362 -4.159 1.00 0.00 O ATOM 524 CB ALA A 31 9.849 6.186 -2.851 1.00 0.00 C ATOM 0 H ALA A 31 8.869 4.680 -5.082 1.00 0.00 H new ATOM 0 HA ALA A 31 11.137 6.491 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.655 6.308 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.327 7.134 -2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.150 5.431 -2.491 1.00 0.00 H new ATOM 530 N GLY A 32 12.522 4.495 -3.856 1.00 0.00 N ATOM 531 CA GLY A 32 13.431 3.359 -4.047 1.00 0.00 C ATOM 532 C GLY A 32 14.727 3.785 -4.751 1.00 0.00 C ATOM 533 O GLY A 32 15.166 4.931 -4.603 1.00 0.00 O ATOM 0 H GLY A 32 12.994 5.348 -3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.670 2.917 -3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.933 2.588 -4.635 1.00 0.00 H new ATOM 537 N TRP A 33 15.344 2.892 -5.531 1.00 0.00 N ATOM 538 CA TRP A 33 16.564 3.187 -6.280 1.00 0.00 C ATOM 539 C TRP A 33 16.586 2.548 -7.667 1.00 0.00 C ATOM 540 O TRP A 33 15.833 1.617 -7.964 1.00 0.00 O ATOM 541 CB TRP A 33 17.811 2.757 -5.484 1.00 0.00 C ATOM 542 CG TRP A 33 17.965 1.304 -5.121 1.00 0.00 C ATOM 543 CD1 TRP A 33 18.309 0.289 -5.955 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.878 0.698 -3.792 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.423 -0.886 -5.241 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.214 -0.685 -3.899 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.582 1.181 -2.498 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.284 -1.533 -2.787 1.00 0.00 C ATOM 549 CZ3 TRP A 33 17.630 0.335 -1.373 1.00 0.00 C ATOM 550 CH2 TRP A 33 17.986 -1.020 -1.513 1.00 0.00 C ATOM 0 H TRP A 33 15.006 1.938 -5.660 1.00 0.00 H new ATOM 0 HA TRP A 33 16.577 4.267 -6.425 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.689 3.050 -6.060 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.829 3.334 -4.559 1.00 0.00 H new ATOM 0 HD1 TRP A 33 18.469 0.387 -7.019 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.636 -1.792 -5.658 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.314 2.219 -2.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.564 -2.569 -2.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 17.392 0.729 -0.396 1.00 0.00 H new ATOM 0 HH2 TRP A 33 18.030 -1.662 -0.646 1.00 0.00 H new ATOM 561 N VAL A 34 17.542 2.998 -8.482 1.00 0.00 N ATOM 562 CA VAL A 34 18.027 2.300 -9.665 1.00 0.00 C ATOM 563 C VAL A 34 19.555 2.331 -9.607 1.00 0.00 C ATOM 564 O VAL A 34 20.140 3.312 -9.137 1.00 0.00 O ATOM 565 CB VAL A 34 17.419 2.911 -10.950 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.588 4.435 -11.054 1.00 0.00 C ATOM 567 CG2 VAL A 34 17.984 2.270 -12.226 1.00 0.00 C ATOM 0 H VAL A 34 18.013 3.889 -8.328 1.00 0.00 H new ATOM 0 HA VAL A 34 17.709 1.258 -9.688 1.00 0.00 H new ATOM 0 HB VAL A 34 16.355 2.692 -10.867 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.137 4.789 -11.981 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.098 4.914 -10.206 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.649 4.685 -11.049 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.526 2.733 -13.100 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.063 2.419 -12.261 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.765 1.202 -12.225 1.00 0.00 H new ATOM 577 N LYS A 35 20.218 1.259 -10.043 1.00 0.00 N ATOM 578 CA LYS A 35 21.674 1.151 -10.019 1.00 0.00 C ATOM 579 C LYS A 35 22.155 0.211 -11.116 1.00 0.00 C ATOM 580 O LYS A 35 21.401 -0.658 -11.556 1.00 0.00 O ATOM 581 CB LYS A 35 22.122 0.679 -8.623 1.00 0.00 C ATOM 582 CG LYS A 35 21.765 -0.777 -8.295 1.00 0.00 C ATOM 583 CD LYS A 35 22.112 -1.136 -6.844 1.00 0.00 C ATOM 584 CE LYS A 35 22.303 -2.654 -6.745 1.00 0.00 C ATOM 585 NZ LYS A 35 21.886 -3.212 -5.437 1.00 0.00 N ATOM 0 H LYS A 35 19.754 0.435 -10.426 1.00 0.00 H new ATOM 0 HA LYS A 35 22.122 2.126 -10.213 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.202 0.801 -8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 35 21.670 1.328 -7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.700 -0.937 -8.464 1.00 0.00 H new ATOM 0 HG3 LYS A 35 22.299 -1.444 -8.972 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.021 -0.620 -6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.316 -0.811 -6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.732 -3.138 -7.537 1.00 0.00 H new ATOM 0 HE3 LYS A 35 23.352 -2.893 -6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 22.308 -4.154 -5.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.208 -2.584 -4.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.849 -3.290 -5.407 1.00 0.00 H new ATOM 599 N ASN A 36 23.411 0.348 -11.547 1.00 0.00 N ATOM 600 CA ASN A 36 24.041 -0.685 -12.375 1.00 0.00 C ATOM 601 C ASN A 36 24.321 -1.920 -11.510 1.00 0.00 C ATOM 602 O ASN A 36 24.438 -1.811 -10.287 1.00 0.00 O ATOM 603 CB ASN A 36 25.330 -0.172 -13.054 1.00 0.00 C ATOM 604 CG ASN A 36 26.580 -0.300 -12.179 1.00 0.00 C ATOM 605 OD1 ASN A 36 27.195 -1.358 -12.112 1.00 0.00 O ATOM 606 ND2 ASN A 36 26.982 0.763 -11.502 1.00 0.00 N ATOM 0 H ASN A 36 24.005 1.151 -11.341 1.00 0.00 H new ATOM 0 HA ASN A 36 23.356 -0.955 -13.179 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.487 -0.725 -13.980 1.00 0.00 H new ATOM 0 HB3 ASN A 36 25.194 0.874 -13.327 1.00 0.00 H new ATOM 0 HD21 ASN A 36 27.814 0.709 -10.914 1.00 0.00 H new ATOM 0 HD22 ASN A 36 26.460 1.637 -11.568 1.00 0.00 H new ATOM 613 N ARG A 37 24.510 -3.078 -12.140 1.00 0.00 N ATOM 614 CA ARG A 37 25.072 -4.266 -11.512 1.00 0.00 C ATOM 615 C ARG A 37 26.330 -4.621 -12.285 1.00 0.00 C ATOM 616 O ARG A 37 26.290 -4.691 -13.516 1.00 0.00 O ATOM 617 CB ARG A 37 24.063 -5.426 -11.549 1.00 0.00 C ATOM 618 CG ARG A 37 23.037 -5.366 -10.408 1.00 0.00 C ATOM 619 CD ARG A 37 22.193 -6.649 -10.400 1.00 0.00 C ATOM 620 NE ARG A 37 21.404 -6.779 -9.164 1.00 0.00 N ATOM 621 CZ ARG A 37 20.987 -7.916 -8.596 1.00 0.00 C ATOM 622 NH1 ARG A 37 21.230 -9.102 -9.149 1.00 0.00 N ATOM 623 NH2 ARG A 37 20.314 -7.827 -7.459 1.00 0.00 N ATOM 0 H ARG A 37 24.271 -3.217 -13.122 1.00 0.00 H new ATOM 0 HA ARG A 37 25.304 -4.079 -10.464 1.00 0.00 H new ATOM 0 HB2 ARG A 37 23.537 -5.413 -12.504 1.00 0.00 H new ATOM 0 HB3 ARG A 37 24.603 -6.371 -11.495 1.00 0.00 H new ATOM 0 HG2 ARG A 37 23.548 -5.250 -9.452 1.00 0.00 H new ATOM 0 HG3 ARG A 37 22.392 -4.496 -10.532 1.00 0.00 H new ATOM 0 HD2 ARG A 37 21.523 -6.648 -11.260 1.00 0.00 H new ATOM 0 HD3 ARG A 37 22.847 -7.515 -10.506 1.00 0.00 H new ATOM 0 HE ARG A 37 21.149 -5.912 -8.692 1.00 0.00 H new ATOM 0 HH11 ARG A 37 21.746 -9.159 -10.027 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.901 -9.954 -8.695 1.00 0.00 H new ATOM 0 HH21 ARG A 37 20.130 -6.913 -7.046 1.00 0.00 H new ATOM 0 HH22 ARG A 37 19.980 -8.673 -6.997 1.00 0.00 H new ATOM 637 N ASP A 38 27.423 -4.896 -11.573 1.00 0.00 N ATOM 638 CA ASP A 38 28.740 -5.171 -12.158 1.00 0.00 C ATOM 639 C ASP A 38 28.728 -6.398 -13.078 1.00 0.00 C ATOM 640 O ASP A 38 29.531 -6.484 -14.006 1.00 0.00 O ATOM 641 CB ASP A 38 29.765 -5.367 -11.035 1.00 0.00 C ATOM 642 CG ASP A 38 31.162 -5.695 -11.589 1.00 0.00 C ATOM 643 OD1 ASP A 38 31.827 -4.789 -12.142 1.00 0.00 O ATOM 644 OD2 ASP A 38 31.624 -6.848 -11.434 1.00 0.00 O ATOM 0 H ASP A 38 27.420 -4.935 -10.554 1.00 0.00 H new ATOM 0 HA ASP A 38 29.014 -4.314 -12.773 1.00 0.00 H new ATOM 0 HB2 ASP A 38 29.817 -4.463 -10.429 1.00 0.00 H new ATOM 0 HB3 ASP A 38 29.436 -6.172 -10.379 1.00 0.00 H new ATOM 649 N ASP A 39 27.786 -7.324 -12.858 1.00 0.00 N ATOM 650 CA ASP A 39 27.570 -8.498 -13.709 1.00 0.00 C ATOM 651 C ASP A 39 27.174 -8.125 -15.149 1.00 0.00 C ATOM 652 O ASP A 39 27.316 -8.946 -16.055 1.00 0.00 O ATOM 653 CB ASP A 39 26.501 -9.400 -13.077 1.00 0.00 C ATOM 654 CG ASP A 39 26.337 -10.716 -13.853 1.00 0.00 C ATOM 655 OD1 ASP A 39 27.257 -11.564 -13.817 1.00 0.00 O ATOM 656 OD2 ASP A 39 25.274 -10.920 -14.479 1.00 0.00 O ATOM 0 H ASP A 39 27.142 -7.276 -12.069 1.00 0.00 H new ATOM 0 HA ASP A 39 28.517 -9.033 -13.776 1.00 0.00 H new ATOM 0 HB2 ASP A 39 26.773 -9.618 -12.044 1.00 0.00 H new ATOM 0 HB3 ASP A 39 25.548 -8.872 -13.051 1.00 0.00 H new ATOM 661 N GLY A 40 26.712 -6.888 -15.375 1.00 0.00 N ATOM 662 CA GLY A 40 26.412 -6.334 -16.693 1.00 0.00 C ATOM 663 C GLY A 40 24.955 -5.894 -16.846 1.00 0.00 C ATOM 664 O GLY A 40 24.498 -5.711 -17.974 1.00 0.00 O ATOM 0 H GLY A 40 26.533 -6.228 -14.618 1.00 0.00 H new ATOM 0 HA2 GLY A 40 27.064 -5.480 -16.878 1.00 0.00 H new ATOM 0 HA3 GLY A 40 26.641 -7.080 -17.454 1.00 0.00 H new ATOM 668 N ARG A 41 24.204 -5.754 -15.744 1.00 0.00 N ATOM 669 CA ARG A 41 22.754 -5.526 -15.758 1.00 0.00 C ATOM 670 C ARG A 41 22.446 -4.163 -15.138 1.00 0.00 C ATOM 671 O ARG A 41 23.359 -3.445 -14.721 1.00 0.00 O ATOM 672 CB ARG A 41 22.000 -6.658 -15.018 1.00 0.00 C ATOM 673 CG ARG A 41 22.549 -8.090 -15.126 1.00 0.00 C ATOM 674 CD ARG A 41 22.796 -8.623 -16.545 1.00 0.00 C ATOM 675 NE ARG A 41 23.788 -9.707 -16.512 1.00 0.00 N ATOM 676 CZ ARG A 41 24.473 -10.228 -17.534 1.00 0.00 C ATOM 677 NH1 ARG A 41 24.278 -9.831 -18.788 1.00 0.00 N ATOM 678 NH2 ARG A 41 25.363 -11.169 -17.256 1.00 0.00 N ATOM 0 H ARG A 41 24.595 -5.797 -14.803 1.00 0.00 H new ATOM 0 HA ARG A 41 22.408 -5.532 -16.791 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.961 -6.396 -13.961 1.00 0.00 H new ATOM 0 HB3 ARG A 41 20.973 -6.667 -15.383 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.488 -8.138 -14.575 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.851 -8.762 -14.626 1.00 0.00 H new ATOM 0 HD2 ARG A 41 21.862 -8.987 -16.973 1.00 0.00 H new ATOM 0 HD3 ARG A 41 23.148 -7.817 -17.188 1.00 0.00 H new ATOM 0 HE ARG A 41 23.977 -10.112 -15.595 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.588 -9.108 -18.993 1.00 0.00 H new ATOM 0 HH12 ARG A 41 24.818 -10.250 -19.545 1.00 0.00 H new ATOM 0 HH21 ARG A 41 25.504 -11.469 -16.291 1.00 0.00 H new ATOM 0 HH22 ARG A 41 25.908 -11.594 -18.007 1.00 0.00 H new ATOM 692 N VAL A 42 21.170 -3.822 -15.026 1.00 0.00 N ATOM 693 CA VAL A 42 20.682 -2.714 -14.216 1.00 0.00 C ATOM 694 C VAL A 42 19.655 -3.322 -13.257 1.00 0.00 C ATOM 695 O VAL A 42 18.945 -4.259 -13.624 1.00 0.00 O ATOM 696 CB VAL A 42 20.115 -1.610 -15.144 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.429 -0.456 -14.396 1.00 0.00 C ATOM 698 CG2 VAL A 42 21.230 -0.997 -16.010 1.00 0.00 C ATOM 0 H VAL A 42 20.424 -4.322 -15.510 1.00 0.00 H new ATOM 0 HA VAL A 42 21.459 -2.221 -13.631 1.00 0.00 H new ATOM 0 HB VAL A 42 19.366 -2.118 -15.752 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.059 0.275 -15.115 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.595 -0.845 -13.813 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.146 0.022 -13.729 1.00 0.00 H new ATOM 0 HG21 VAL A 42 20.808 -0.225 -16.653 1.00 0.00 H new ATOM 0 HG22 VAL A 42 21.991 -0.557 -15.365 1.00 0.00 H new ATOM 0 HG23 VAL A 42 21.682 -1.775 -16.626 1.00 0.00 H new ATOM 708 N GLU A 43 19.581 -2.799 -12.035 1.00 0.00 N ATOM 709 CA GLU A 43 18.633 -3.185 -11.001 1.00 0.00 C ATOM 710 C GLU A 43 17.803 -1.950 -10.683 1.00 0.00 C ATOM 711 O GLU A 43 18.340 -0.848 -10.566 1.00 0.00 O ATOM 712 CB GLU A 43 19.392 -3.674 -9.753 1.00 0.00 C ATOM 713 CG GLU A 43 18.514 -3.797 -8.488 1.00 0.00 C ATOM 714 CD GLU A 43 19.338 -4.128 -7.242 1.00 0.00 C ATOM 715 OE1 GLU A 43 20.132 -5.096 -7.276 1.00 0.00 O ATOM 716 OE2 GLU A 43 19.239 -3.387 -6.237 1.00 0.00 O ATOM 0 H GLU A 43 20.212 -2.059 -11.728 1.00 0.00 H new ATOM 0 HA GLU A 43 17.990 -4.000 -11.332 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.837 -4.645 -9.969 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.212 -2.986 -9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.977 -2.862 -8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.764 -4.573 -8.642 1.00 0.00 H new ATOM 723 N ILE A 44 16.502 -2.149 -10.505 1.00 0.00 N ATOM 724 CA ILE A 44 15.528 -1.139 -10.143 1.00 0.00 C ATOM 725 C ILE A 44 14.752 -1.760 -8.982 1.00 0.00 C ATOM 726 O ILE A 44 14.425 -2.949 -9.027 1.00 0.00 O ATOM 727 CB ILE A 44 14.622 -0.859 -11.361 1.00 0.00 C ATOM 728 CG1 ILE A 44 15.414 -0.581 -12.666 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.663 0.309 -11.061 1.00 0.00 C ATOM 730 CD1 ILE A 44 14.587 -0.917 -13.898 1.00 0.00 C ATOM 0 H ILE A 44 16.081 -3.071 -10.617 1.00 0.00 H new ATOM 0 HA ILE A 44 15.966 -0.184 -9.854 1.00 0.00 H new ATOM 0 HB ILE A 44 14.049 -1.770 -11.533 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.709 0.468 -12.698 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.331 -1.170 -12.670 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.031 0.493 -11.930 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.038 0.056 -10.205 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.241 1.205 -10.836 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.171 -0.711 -14.795 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.315 -1.972 -13.877 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.682 -0.309 -13.906 1.00 0.00 H new ATOM 742 N LEU A 45 14.462 -1.000 -7.932 1.00 0.00 N ATOM 743 CA LEU A 45 13.799 -1.514 -6.739 1.00 0.00 C ATOM 744 C LEU A 45 12.970 -0.364 -6.190 1.00 0.00 C ATOM 745 O LEU A 45 13.529 0.709 -5.963 1.00 0.00 O ATOM 746 CB LEU A 45 14.876 -2.007 -5.754 1.00 0.00 C ATOM 747 CG LEU A 45 14.367 -3.023 -4.719 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.555 -3.540 -3.904 1.00 0.00 C ATOM 749 CD2 LEU A 45 13.327 -2.442 -3.756 1.00 0.00 C ATOM 0 H LEU A 45 14.681 -0.005 -7.884 1.00 0.00 H new ATOM 0 HA LEU A 45 13.144 -2.363 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.690 -2.459 -6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.292 -1.148 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 45 13.879 -3.824 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 45 15.204 -4.262 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.271 -4.021 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 45 16.037 -2.706 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.011 -3.213 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.765 -1.608 -3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.464 -2.091 -4.321 1.00 0.00 H new ATOM 761 N ALA A 46 11.653 -0.538 -6.047 1.00 0.00 N ATOM 762 CA ALA A 46 10.764 0.548 -5.662 1.00 0.00 C ATOM 763 C ALA A 46 9.512 0.050 -4.950 1.00 0.00 C ATOM 764 O ALA A 46 9.124 -1.113 -5.081 1.00 0.00 O ATOM 765 CB ALA A 46 10.352 1.340 -6.914 1.00 0.00 C ATOM 0 H ALA A 46 11.182 -1.430 -6.195 1.00 0.00 H new ATOM 0 HA ALA A 46 11.310 1.184 -4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.686 2.154 -6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.241 1.750 -7.394 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.837 0.678 -7.610 1.00 0.00 H new ATOM 771 N GLU A 47 8.850 0.988 -4.278 1.00 0.00 N ATOM 772 CA GLU A 47 7.615 0.843 -3.525 1.00 0.00 C ATOM 773 C GLU A 47 6.645 1.915 -4.038 1.00 0.00 C ATOM 774 O GLU A 47 7.075 3.021 -4.390 1.00 0.00 O ATOM 775 CB GLU A 47 7.941 1.040 -2.031 1.00 0.00 C ATOM 776 CG GLU A 47 6.719 0.979 -1.101 1.00 0.00 C ATOM 777 CD GLU A 47 7.082 1.366 0.344 1.00 0.00 C ATOM 778 OE1 GLU A 47 7.927 0.682 0.962 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.519 2.356 0.863 1.00 0.00 O ATOM 0 H GLU A 47 9.195 1.947 -4.246 1.00 0.00 H new ATOM 0 HA GLU A 47 7.160 -0.140 -3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.655 0.276 -1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.432 2.005 -1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.945 1.650 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.302 -0.028 -1.114 1.00 0.00 H new ATOM 786 N GLY A 48 5.346 1.608 -4.074 1.00 0.00 N ATOM 787 CA GLY A 48 4.315 2.572 -4.434 1.00 0.00 C ATOM 788 C GLY A 48 2.945 1.928 -4.637 1.00 0.00 C ATOM 789 O GLY A 48 2.782 0.733 -4.371 1.00 0.00 O ATOM 0 H GLY A 48 4.983 0.681 -3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.243 3.329 -3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.609 3.086 -5.349 1.00 0.00 H new ATOM 793 N PRO A 49 1.942 2.708 -5.077 1.00 0.00 N ATOM 794 CA PRO A 49 0.657 2.189 -5.535 1.00 0.00 C ATOM 795 C PRO A 49 0.853 1.157 -6.649 1.00 0.00 C ATOM 796 O PRO A 49 1.689 1.349 -7.533 1.00 0.00 O ATOM 797 CB PRO A 49 -0.131 3.406 -6.042 1.00 0.00 C ATOM 798 CG PRO A 49 0.536 4.595 -5.354 1.00 0.00 C ATOM 799 CD PRO A 49 1.992 4.154 -5.236 1.00 0.00 C ATOM 0 HA PRO A 49 0.123 1.678 -4.733 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.077 3.492 -7.127 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.187 3.335 -5.780 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.438 5.508 -5.941 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.095 4.795 -4.378 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.561 4.433 -6.123 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.479 4.627 -4.383 1.00 0.00 H new ATOM 807 N GLU A 50 0.055 0.087 -6.652 1.00 0.00 N ATOM 808 CA GLU A 50 0.228 -1.008 -7.606 1.00 0.00 C ATOM 809 C GLU A 50 -0.009 -0.562 -9.055 1.00 0.00 C ATOM 810 O GLU A 50 0.629 -1.088 -9.965 1.00 0.00 O ATOM 811 CB GLU A 50 -0.649 -2.210 -7.212 1.00 0.00 C ATOM 812 CG GLU A 50 -2.161 -1.954 -7.301 1.00 0.00 C ATOM 813 CD GLU A 50 -2.970 -3.171 -6.817 1.00 0.00 C ATOM 814 OE1 GLU A 50 -3.251 -4.083 -7.627 1.00 0.00 O ATOM 815 OE2 GLU A 50 -3.356 -3.218 -5.627 1.00 0.00 O ATOM 0 H GLU A 50 -0.720 -0.044 -6.001 1.00 0.00 H new ATOM 0 HA GLU A 50 1.269 -1.327 -7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.398 -3.053 -7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.403 -2.504 -6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.419 -1.082 -6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.432 -1.723 -8.331 1.00 0.00 H new ATOM 822 N ASN A 51 -0.899 0.408 -9.300 1.00 0.00 N ATOM 823 CA ASN A 51 -1.140 0.920 -10.653 1.00 0.00 C ATOM 824 C ASN A 51 0.046 1.753 -11.141 1.00 0.00 C ATOM 825 O ASN A 51 0.464 1.631 -12.295 1.00 0.00 O ATOM 826 CB ASN A 51 -2.417 1.770 -10.691 1.00 0.00 C ATOM 827 CG ASN A 51 -2.640 2.332 -12.096 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.921 1.590 -13.033 1.00 0.00 O ATOM 829 ND2 ASN A 51 -2.513 3.636 -12.278 1.00 0.00 N ATOM 0 H ASN A 51 -1.464 0.854 -8.577 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.263 0.063 -11.315 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.274 1.165 -10.394 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.340 2.587 -9.973 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.649 4.037 -13.206 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.279 4.240 -11.490 1.00 0.00 H new ATOM 836 N ALA A 52 0.608 2.583 -10.257 1.00 0.00 N ATOM 837 CA ALA A 52 1.782 3.388 -10.564 1.00 0.00 C ATOM 838 C ALA A 52 2.975 2.475 -10.842 1.00 0.00 C ATOM 839 O ALA A 52 3.697 2.694 -11.812 1.00 0.00 O ATOM 840 CB ALA A 52 2.077 4.338 -9.398 1.00 0.00 C ATOM 0 H ALA A 52 0.257 2.712 -9.308 1.00 0.00 H new ATOM 0 HA ALA A 52 1.593 3.987 -11.455 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.956 4.939 -9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.221 4.994 -9.238 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.264 3.758 -8.494 1.00 0.00 H new ATOM 846 N LEU A 53 3.152 1.429 -10.029 1.00 0.00 N ATOM 847 CA LEU A 53 4.198 0.438 -10.218 1.00 0.00 C ATOM 848 C LEU A 53 4.020 -0.278 -11.554 1.00 0.00 C ATOM 849 O LEU A 53 4.979 -0.362 -12.307 1.00 0.00 O ATOM 850 CB LEU A 53 4.199 -0.560 -9.047 1.00 0.00 C ATOM 851 CG LEU A 53 4.835 -0.027 -7.749 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.608 -1.046 -6.630 1.00 0.00 C ATOM 853 CD2 LEU A 53 6.345 0.228 -7.872 1.00 0.00 C ATOM 0 H LEU A 53 2.563 1.251 -9.215 1.00 0.00 H new ATOM 0 HA LEU A 53 5.164 0.942 -10.236 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.171 -0.855 -8.838 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.732 -1.460 -9.354 1.00 0.00 H new ATOM 0 HG LEU A 53 4.358 0.929 -7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.055 -0.678 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.538 -1.192 -6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.069 -1.995 -6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.729 0.602 -6.923 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.852 -0.703 -8.127 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.527 0.966 -8.653 1.00 0.00 H new ATOM 865 N GLN A 54 2.821 -0.753 -11.903 1.00 0.00 N ATOM 866 CA GLN A 54 2.600 -1.418 -13.194 1.00 0.00 C ATOM 867 C GLN A 54 2.931 -0.480 -14.362 1.00 0.00 C ATOM 868 O GLN A 54 3.601 -0.883 -15.315 1.00 0.00 O ATOM 869 CB GLN A 54 1.156 -1.930 -13.283 1.00 0.00 C ATOM 870 CG GLN A 54 0.969 -3.215 -12.460 1.00 0.00 C ATOM 871 CD GLN A 54 -0.510 -3.548 -12.275 1.00 0.00 C ATOM 872 OE1 GLN A 54 -1.096 -4.332 -13.019 1.00 0.00 O ATOM 873 NE2 GLN A 54 -1.142 -2.947 -11.281 1.00 0.00 N ATOM 0 H GLN A 54 1.991 -0.691 -11.314 1.00 0.00 H new ATOM 0 HA GLN A 54 3.273 -2.273 -13.264 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.472 -1.162 -12.922 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.899 -2.122 -14.325 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.471 -4.044 -12.959 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.442 -3.096 -11.485 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.639 -2.300 -10.674 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.132 -3.131 -11.121 1.00 0.00 H new ATOM 882 N SER A 55 2.526 0.789 -14.268 1.00 0.00 N ATOM 883 CA SER A 55 2.852 1.796 -15.272 1.00 0.00 C ATOM 884 C SER A 55 4.373 2.003 -15.367 1.00 0.00 C ATOM 885 O SER A 55 4.925 2.166 -16.457 1.00 0.00 O ATOM 886 CB SER A 55 2.124 3.100 -14.922 1.00 0.00 C ATOM 887 OG SER A 55 0.732 2.890 -14.740 1.00 0.00 O ATOM 0 H SER A 55 1.964 1.143 -13.494 1.00 0.00 H new ATOM 0 HA SER A 55 2.518 1.458 -16.253 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.551 3.522 -14.012 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.281 3.830 -15.716 1.00 0.00 H new ATOM 0 HG SER A 55 0.577 2.456 -13.875 1.00 0.00 H new ATOM 893 N PHE A 56 5.074 1.951 -14.233 1.00 0.00 N ATOM 894 CA PHE A 56 6.522 2.013 -14.192 1.00 0.00 C ATOM 895 C PHE A 56 7.140 0.768 -14.842 1.00 0.00 C ATOM 896 O PHE A 56 8.121 0.934 -15.560 1.00 0.00 O ATOM 897 CB PHE A 56 6.971 2.267 -12.746 1.00 0.00 C ATOM 898 CG PHE A 56 8.445 2.540 -12.489 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.199 3.371 -13.342 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.041 2.034 -11.316 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.533 3.681 -13.024 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.373 2.342 -10.998 1.00 0.00 C ATOM 903 CZ PHE A 56 11.115 3.170 -11.851 1.00 0.00 C ATOM 0 H PHE A 56 4.642 1.864 -13.313 1.00 0.00 H new ATOM 0 HA PHE A 56 6.890 2.849 -14.787 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.404 3.116 -12.365 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.684 1.400 -12.151 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.752 3.770 -14.240 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.466 1.402 -10.655 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.111 4.313 -13.682 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.823 1.943 -10.101 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.138 3.416 -11.606 1.00 0.00 H new ATOM 913 N VAL A 57 6.561 -0.438 -14.727 1.00 0.00 N ATOM 914 CA VAL A 57 7.032 -1.592 -15.504 1.00 0.00 C ATOM 915 C VAL A 57 6.878 -1.306 -16.998 1.00 0.00 C ATOM 916 O VAL A 57 7.811 -1.572 -17.754 1.00 0.00 O ATOM 917 CB VAL A 57 6.329 -2.926 -15.153 1.00 0.00 C ATOM 918 CG1 VAL A 57 7.076 -4.103 -15.805 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.272 -3.208 -13.652 1.00 0.00 C ATOM 0 H VAL A 57 5.774 -0.637 -14.110 1.00 0.00 H new ATOM 0 HA VAL A 57 8.081 -1.725 -15.239 1.00 0.00 H new ATOM 0 HB VAL A 57 5.310 -2.827 -15.528 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.574 -5.037 -15.552 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.082 -3.975 -16.887 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.102 -4.131 -15.437 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.766 -4.158 -13.479 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.285 -3.258 -13.252 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.724 -2.409 -13.152 1.00 0.00 H new ATOM 929 N GLU A 58 5.733 -0.763 -17.434 1.00 0.00 N ATOM 930 CA GLU A 58 5.491 -0.460 -18.843 1.00 0.00 C ATOM 931 C GLU A 58 6.547 0.520 -19.371 1.00 0.00 C ATOM 932 O GLU A 58 7.018 0.358 -20.498 1.00 0.00 O ATOM 933 CB GLU A 58 4.070 0.095 -19.058 1.00 0.00 C ATOM 934 CG GLU A 58 2.954 -0.937 -18.841 1.00 0.00 C ATOM 935 CD GLU A 58 2.904 -1.993 -19.957 1.00 0.00 C ATOM 936 OE1 GLU A 58 2.288 -1.737 -21.018 1.00 0.00 O ATOM 937 OE2 GLU A 58 3.463 -3.096 -19.771 1.00 0.00 O ATOM 0 H GLU A 58 4.955 -0.524 -16.820 1.00 0.00 H new ATOM 0 HA GLU A 58 5.571 -1.389 -19.407 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.912 0.933 -18.379 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.995 0.488 -20.072 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.104 -1.433 -17.882 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.994 -0.424 -18.788 1.00 0.00 H new ATOM 944 N ALA A 59 6.962 1.500 -18.557 1.00 0.00 N ATOM 945 CA ALA A 59 8.081 2.364 -18.897 1.00 0.00 C ATOM 946 C ALA A 59 9.412 1.596 -18.934 1.00 0.00 C ATOM 947 O ALA A 59 10.160 1.699 -19.905 1.00 0.00 O ATOM 948 CB ALA A 59 8.153 3.524 -17.904 1.00 0.00 C ATOM 0 H ALA A 59 6.532 1.708 -17.656 1.00 0.00 H new ATOM 0 HA ALA A 59 7.914 2.755 -19.900 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.992 4.171 -18.160 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.227 4.097 -17.946 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.291 3.132 -16.896 1.00 0.00 H new ATOM 954 N VAL A 60 9.722 0.832 -17.886 1.00 0.00 N ATOM 955 CA VAL A 60 11.009 0.176 -17.683 1.00 0.00 C ATOM 956 C VAL A 60 11.292 -0.833 -18.798 1.00 0.00 C ATOM 957 O VAL A 60 12.407 -0.857 -19.320 1.00 0.00 O ATOM 958 CB VAL A 60 11.016 -0.446 -16.267 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.051 -1.559 -16.061 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.273 0.651 -15.219 1.00 0.00 C ATOM 0 H VAL A 60 9.061 0.648 -17.132 1.00 0.00 H new ATOM 0 HA VAL A 60 11.825 0.897 -17.739 1.00 0.00 H new ATOM 0 HB VAL A 60 10.033 -0.903 -16.149 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.983 -1.935 -15.040 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.856 -2.372 -16.761 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.051 -1.163 -16.236 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.277 0.209 -14.223 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.238 1.120 -15.412 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.486 1.403 -15.279 1.00 0.00 H new ATOM 970 N LYS A 61 10.308 -1.642 -19.206 1.00 0.00 N ATOM 971 CA LYS A 61 10.523 -2.679 -20.218 1.00 0.00 C ATOM 972 C LYS A 61 10.919 -2.111 -21.587 1.00 0.00 C ATOM 973 O LYS A 61 11.462 -2.852 -22.406 1.00 0.00 O ATOM 974 CB LYS A 61 9.323 -3.636 -20.290 1.00 0.00 C ATOM 975 CG LYS A 61 8.030 -2.986 -20.808 1.00 0.00 C ATOM 976 CD LYS A 61 6.855 -3.970 -20.853 1.00 0.00 C ATOM 977 CE LYS A 61 6.479 -4.514 -19.469 1.00 0.00 C ATOM 978 NZ LYS A 61 5.177 -5.222 -19.487 1.00 0.00 N ATOM 0 H LYS A 61 9.353 -1.597 -18.849 1.00 0.00 H new ATOM 0 HA LYS A 61 11.385 -3.265 -19.898 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.580 -4.475 -20.937 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.138 -4.045 -19.297 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.769 -2.143 -20.168 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.203 -2.586 -21.807 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.989 -3.474 -21.290 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.110 -4.803 -21.508 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.257 -5.194 -19.123 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.435 -3.691 -18.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.140 -5.900 -18.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.405 -4.532 -19.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.071 -5.732 -20.387 1.00 0.00 H new ATOM 992 N ASN A 62 10.677 -0.820 -21.847 1.00 0.00 N ATOM 993 CA ASN A 62 11.144 -0.162 -23.066 1.00 0.00 C ATOM 994 C ASN A 62 12.675 -0.071 -23.115 1.00 0.00 C ATOM 995 O ASN A 62 13.247 -0.038 -24.206 1.00 0.00 O ATOM 996 CB ASN A 62 10.564 1.257 -23.159 1.00 0.00 C ATOM 997 CG ASN A 62 10.906 1.918 -24.491 1.00 0.00 C ATOM 998 OD1 ASN A 62 10.331 1.591 -25.525 1.00 0.00 O ATOM 999 ND2 ASN A 62 11.830 2.864 -24.497 1.00 0.00 N ATOM 0 H ASN A 62 10.155 -0.208 -21.220 1.00 0.00 H new ATOM 0 HA ASN A 62 10.803 -0.766 -23.907 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.481 1.217 -23.040 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.952 1.864 -22.341 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.074 3.333 -25.369 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.299 3.124 -23.629 1.00 0.00 H new ATOM 1006 N GLY A 63 13.342 0.000 -21.957 1.00 0.00 N ATOM 1007 CA GLY A 63 14.669 0.601 -21.875 1.00 0.00 C ATOM 1008 C GLY A 63 14.557 2.113 -22.106 1.00 0.00 C ATOM 1009 O GLY A 63 13.450 2.655 -22.191 1.00 0.00 O ATOM 0 H GLY A 63 12.982 -0.351 -21.069 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.111 0.403 -20.898 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.329 0.156 -22.620 1.00 0.00 H new ATOM 1013 N SER A 64 15.679 2.822 -22.234 1.00 0.00 N ATOM 1014 CA SER A 64 15.631 4.140 -22.856 1.00 0.00 C ATOM 1015 C SER A 64 15.333 3.953 -24.354 1.00 0.00 C ATOM 1016 O SER A 64 15.602 2.881 -24.905 1.00 0.00 O ATOM 1017 CB SER A 64 16.949 4.894 -22.636 1.00 0.00 C ATOM 1018 OG SER A 64 18.034 4.230 -23.256 1.00 0.00 O ATOM 0 H SER A 64 16.602 2.517 -21.926 1.00 0.00 H new ATOM 0 HA SER A 64 14.844 4.742 -22.401 1.00 0.00 H new ATOM 0 HB2 SER A 64 16.863 5.904 -23.035 1.00 0.00 H new ATOM 0 HB3 SER A 64 17.141 4.989 -21.567 1.00 0.00 H new ATOM 0 HG SER A 64 18.857 4.743 -23.112 1.00 0.00 H new ATOM 1024 N PRO A 65 14.879 4.999 -25.059 1.00 0.00 N ATOM 1025 CA PRO A 65 14.914 5.070 -26.518 1.00 0.00 C ATOM 1026 C PRO A 65 16.264 4.685 -27.160 1.00 0.00 C ATOM 1027 O PRO A 65 16.285 4.329 -28.341 1.00 0.00 O ATOM 1028 CB PRO A 65 14.532 6.516 -26.848 1.00 0.00 C ATOM 1029 CG PRO A 65 13.607 6.904 -25.695 1.00 0.00 C ATOM 1030 CD PRO A 65 14.196 6.154 -24.501 1.00 0.00 C ATOM 0 HA PRO A 65 14.228 4.333 -26.937 1.00 0.00 H new ATOM 0 HB2 PRO A 65 15.408 7.163 -26.897 1.00 0.00 H new ATOM 0 HB3 PRO A 65 14.027 6.589 -27.811 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.601 7.981 -25.530 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.577 6.606 -25.889 1.00 0.00 H new ATOM 0 HD2 PRO A 65 14.888 6.786 -23.944 1.00 0.00 H new ATOM 0 HD3 PRO A 65 13.414 5.848 -23.806 1.00 0.00 H new ATOM 1038 N PHE A 66 17.378 4.742 -26.417 1.00 0.00 N ATOM 1039 CA PHE A 66 18.717 4.407 -26.904 1.00 0.00 C ATOM 1040 C PHE A 66 19.130 2.976 -26.523 1.00 0.00 C ATOM 1041 O PHE A 66 20.110 2.453 -27.063 1.00 0.00 O ATOM 1042 CB PHE A 66 19.721 5.416 -26.327 1.00 0.00 C ATOM 1043 CG PHE A 66 19.321 6.873 -26.485 1.00 0.00 C ATOM 1044 CD1 PHE A 66 19.327 7.475 -27.758 1.00 0.00 C ATOM 1045 CD2 PHE A 66 18.912 7.619 -25.361 1.00 0.00 C ATOM 1046 CE1 PHE A 66 18.924 8.815 -27.907 1.00 0.00 C ATOM 1047 CE2 PHE A 66 18.509 8.957 -25.512 1.00 0.00 C ATOM 1048 CZ PHE A 66 18.514 9.556 -26.784 1.00 0.00 C ATOM 0 H PHE A 66 17.369 5.029 -25.438 1.00 0.00 H new ATOM 0 HA PHE A 66 18.708 4.458 -27.993 1.00 0.00 H new ATOM 0 HB2 PHE A 66 19.859 5.204 -25.267 1.00 0.00 H new ATOM 0 HB3 PHE A 66 20.686 5.264 -26.810 1.00 0.00 H new ATOM 0 HD1 PHE A 66 19.641 6.907 -28.621 1.00 0.00 H new ATOM 0 HD2 PHE A 66 18.908 7.162 -24.383 1.00 0.00 H new ATOM 0 HE1 PHE A 66 18.930 9.275 -28.884 1.00 0.00 H new ATOM 0 HE2 PHE A 66 18.195 9.526 -24.649 1.00 0.00 H new ATOM 0 HZ PHE A 66 18.203 10.584 -26.899 1.00 0.00 H new ATOM 1058 N SER A 67 18.415 2.337 -25.597 1.00 0.00 N ATOM 1059 CA SER A 67 18.713 0.991 -25.130 1.00 0.00 C ATOM 1060 C SER A 67 18.347 -0.071 -26.169 1.00 0.00 C ATOM 1061 O SER A 67 17.618 0.183 -27.133 1.00 0.00 O ATOM 1062 CB SER A 67 17.931 0.719 -23.841 1.00 0.00 C ATOM 1063 OG SER A 67 18.313 1.588 -22.794 1.00 0.00 O ATOM 0 H SER A 67 17.599 2.751 -25.145 1.00 0.00 H new ATOM 0 HA SER A 67 19.787 0.931 -24.952 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.864 0.832 -24.034 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.091 -0.314 -23.531 1.00 0.00 H new ATOM 0 HG SER A 67 18.293 2.514 -23.114 1.00 0.00 H new ATOM 1069 N LYS A 68 18.784 -1.301 -25.895 1.00 0.00 N ATOM 1070 CA LYS A 68 18.203 -2.524 -26.426 1.00 0.00 C ATOM 1071 C LYS A 68 18.149 -3.482 -25.244 1.00 0.00 C ATOM 1072 O LYS A 68 19.158 -4.108 -24.917 1.00 0.00 O ATOM 1073 CB LYS A 68 19.017 -3.070 -27.617 1.00 0.00 C ATOM 1074 CG LYS A 68 18.365 -4.342 -28.193 1.00 0.00 C ATOM 1075 CD LYS A 68 19.176 -4.990 -29.324 1.00 0.00 C ATOM 1076 CE LYS A 68 19.232 -4.106 -30.579 1.00 0.00 C ATOM 1077 NZ LYS A 68 19.915 -4.783 -31.710 1.00 0.00 N ATOM 0 H LYS A 68 19.577 -1.473 -25.277 1.00 0.00 H new ATOM 0 HA LYS A 68 17.207 -2.365 -26.839 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.087 -2.309 -28.394 1.00 0.00 H new ATOM 0 HB3 LYS A 68 20.035 -3.292 -27.296 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.232 -5.068 -27.390 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.371 -4.094 -28.566 1.00 0.00 H new ATOM 0 HD2 LYS A 68 20.190 -5.187 -28.975 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.734 -5.953 -29.580 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.219 -3.836 -30.877 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.753 -3.178 -30.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.930 -4.150 -32.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.890 -5.018 -31.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.404 -5.656 -31.952 1.00 0.00 H new ATOM 1091 N VAL A 69 17.005 -3.545 -24.564 1.00 0.00 N ATOM 1092 CA VAL A 69 16.748 -4.600 -23.592 1.00 0.00 C ATOM 1093 C VAL A 69 16.775 -5.921 -24.370 1.00 0.00 C ATOM 1094 O VAL A 69 16.161 -6.014 -25.438 1.00 0.00 O ATOM 1095 CB VAL A 69 15.386 -4.369 -22.890 1.00 0.00 C ATOM 1096 CG1 VAL A 69 15.100 -5.449 -21.833 1.00 0.00 C ATOM 1097 CG2 VAL A 69 15.316 -2.988 -22.217 1.00 0.00 C ATOM 0 H VAL A 69 16.242 -2.876 -24.670 1.00 0.00 H new ATOM 0 HA VAL A 69 17.499 -4.613 -22.802 1.00 0.00 H new ATOM 0 HB VAL A 69 14.631 -4.424 -23.674 1.00 0.00 H new ATOM 0 HG11 VAL A 69 14.136 -5.252 -21.363 1.00 0.00 H new ATOM 0 HG12 VAL A 69 15.078 -6.429 -22.311 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.883 -5.433 -21.075 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.345 -2.866 -21.737 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.104 -2.908 -21.468 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.449 -2.210 -22.969 1.00 0.00 H new ATOM 1107 N THR A 70 17.447 -6.938 -23.839 1.00 0.00 N ATOM 1108 CA THR A 70 17.476 -8.278 -24.411 1.00 0.00 C ATOM 1109 C THR A 70 16.847 -9.289 -23.444 1.00 0.00 C ATOM 1110 O THR A 70 16.362 -10.331 -23.891 1.00 0.00 O ATOM 1111 CB THR A 70 18.916 -8.649 -24.805 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.771 -8.545 -23.685 1.00 0.00 O ATOM 1113 CG2 THR A 70 19.457 -7.727 -25.906 1.00 0.00 C ATOM 0 H THR A 70 17.996 -6.851 -22.984 1.00 0.00 H new ATOM 0 HA THR A 70 16.876 -8.301 -25.321 1.00 0.00 H new ATOM 0 HB THR A 70 18.892 -9.674 -25.176 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.684 -8.785 -23.947 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.476 -8.020 -26.158 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.827 -7.809 -26.792 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.453 -6.696 -25.552 1.00 0.00 H new ATOM 1121 N ASP A 71 16.772 -8.974 -22.144 1.00 0.00 N ATOM 1122 CA ASP A 71 16.039 -9.752 -21.150 1.00 0.00 C ATOM 1123 C ASP A 71 15.674 -8.847 -19.970 1.00 0.00 C ATOM 1124 O ASP A 71 16.326 -7.830 -19.730 1.00 0.00 O ATOM 1125 CB ASP A 71 16.883 -10.948 -20.676 1.00 0.00 C ATOM 1126 CG ASP A 71 16.122 -11.844 -19.686 1.00 0.00 C ATOM 1127 OD1 ASP A 71 14.923 -12.120 -19.913 1.00 0.00 O ATOM 1128 OD2 ASP A 71 16.735 -12.306 -18.698 1.00 0.00 O ATOM 0 H ASP A 71 17.231 -8.152 -21.751 1.00 0.00 H new ATOM 0 HA ASP A 71 15.125 -10.142 -21.598 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.186 -11.540 -21.539 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.795 -10.582 -20.204 1.00 0.00 H new ATOM 1133 N ILE A 72 14.628 -9.213 -19.232 1.00 0.00 N ATOM 1134 CA ILE A 72 14.127 -8.508 -18.062 1.00 0.00 C ATOM 1135 C ILE A 72 13.546 -9.556 -17.101 1.00 0.00 C ATOM 1136 O ILE A 72 12.959 -10.551 -17.540 1.00 0.00 O ATOM 1137 CB ILE A 72 13.121 -7.406 -18.494 1.00 0.00 C ATOM 1138 CG1 ILE A 72 12.549 -6.665 -17.266 1.00 0.00 C ATOM 1139 CG2 ILE A 72 11.989 -7.930 -19.404 1.00 0.00 C ATOM 1140 CD1 ILE A 72 11.829 -5.354 -17.606 1.00 0.00 C ATOM 0 H ILE A 72 14.084 -10.049 -19.446 1.00 0.00 H new ATOM 0 HA ILE A 72 14.918 -7.977 -17.532 1.00 0.00 H new ATOM 0 HB ILE A 72 13.689 -6.697 -19.097 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.854 -7.325 -16.748 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.362 -6.451 -16.573 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.324 -7.108 -19.667 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.419 -8.354 -20.312 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.424 -8.699 -18.876 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.457 -4.895 -16.690 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.525 -4.673 -18.096 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.993 -5.561 -18.274 1.00 0.00 H new ATOM 1152 N SER A 73 13.699 -9.324 -15.799 1.00 0.00 N ATOM 1153 CA SER A 73 13.328 -10.233 -14.720 1.00 0.00 C ATOM 1154 C SER A 73 12.678 -9.409 -13.610 1.00 0.00 C ATOM 1155 O SER A 73 13.057 -8.255 -13.406 1.00 0.00 O ATOM 1156 CB SER A 73 14.592 -10.935 -14.199 1.00 0.00 C ATOM 1157 OG SER A 73 15.234 -11.672 -15.229 1.00 0.00 O ATOM 0 H SER A 73 14.105 -8.455 -15.453 1.00 0.00 H new ATOM 0 HA SER A 73 12.628 -10.992 -15.070 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.282 -10.194 -13.795 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.328 -11.604 -13.380 1.00 0.00 H new ATOM 0 HG SER A 73 16.036 -12.106 -14.870 1.00 0.00 H new ATOM 1163 N VAL A 74 11.715 -9.984 -12.886 1.00 0.00 N ATOM 1164 CA VAL A 74 10.907 -9.280 -11.892 1.00 0.00 C ATOM 1165 C VAL A 74 10.805 -10.161 -10.644 1.00 0.00 C ATOM 1166 O VAL A 74 10.719 -11.389 -10.741 1.00 0.00 O ATOM 1167 CB VAL A 74 9.510 -8.946 -12.481 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.643 -8.137 -11.496 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.602 -8.172 -13.809 1.00 0.00 C ATOM 0 H VAL A 74 11.472 -10.970 -12.977 1.00 0.00 H new ATOM 0 HA VAL A 74 11.372 -8.333 -11.617 1.00 0.00 H new ATOM 0 HB VAL A 74 9.038 -9.911 -12.666 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.675 -7.927 -11.951 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.497 -8.713 -10.582 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.143 -7.199 -11.257 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.598 -7.963 -14.179 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.132 -7.233 -13.647 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.142 -8.771 -14.543 1.00 0.00 H new ATOM 1179 N THR A 75 10.777 -9.519 -9.479 1.00 0.00 N ATOM 1180 CA THR A 75 10.498 -10.113 -8.183 1.00 0.00 C ATOM 1181 C THR A 75 9.452 -9.187 -7.553 1.00 0.00 C ATOM 1182 O THR A 75 9.738 -8.011 -7.326 1.00 0.00 O ATOM 1183 CB THR A 75 11.790 -10.177 -7.335 1.00 0.00 C ATOM 1184 OG1 THR A 75 12.946 -10.460 -8.114 1.00 0.00 O ATOM 1185 CG2 THR A 75 11.701 -11.233 -6.233 1.00 0.00 C ATOM 0 H THR A 75 10.959 -8.517 -9.415 1.00 0.00 H new ATOM 0 HA THR A 75 10.134 -11.138 -8.254 1.00 0.00 H new ATOM 0 HB THR A 75 11.885 -9.184 -6.896 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.910 -11.388 -8.427 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.630 -11.243 -5.663 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.870 -10.996 -5.569 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.540 -12.214 -6.681 1.00 0.00 H new ATOM 1193 N GLU A 76 8.224 -9.662 -7.335 1.00 0.00 N ATOM 1194 CA GLU A 76 7.267 -8.936 -6.509 1.00 0.00 C ATOM 1195 C GLU A 76 7.718 -9.066 -5.050 1.00 0.00 C ATOM 1196 O GLU A 76 8.272 -10.097 -4.652 1.00 0.00 O ATOM 1197 CB GLU A 76 5.833 -9.444 -6.743 1.00 0.00 C ATOM 1198 CG GLU A 76 5.604 -10.924 -6.395 1.00 0.00 C ATOM 1199 CD GLU A 76 4.166 -11.363 -6.730 1.00 0.00 C ATOM 1200 OE1 GLU A 76 3.272 -11.255 -5.860 1.00 0.00 O ATOM 1201 OE2 GLU A 76 3.917 -11.845 -7.858 1.00 0.00 O ATOM 0 H GLU A 76 7.874 -10.540 -7.717 1.00 0.00 H new ATOM 0 HA GLU A 76 7.245 -7.880 -6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.147 -8.837 -6.152 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.575 -9.288 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.313 -11.543 -6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.797 -11.084 -5.334 1.00 0.00 H new ATOM 1208 N SER A 77 7.475 -8.025 -4.256 1.00 0.00 N ATOM 1209 CA SER A 77 7.996 -7.900 -2.901 1.00 0.00 C ATOM 1210 C SER A 77 6.971 -7.183 -2.018 1.00 0.00 C ATOM 1211 O SER A 77 6.096 -6.471 -2.516 1.00 0.00 O ATOM 1212 CB SER A 77 9.311 -7.098 -2.932 1.00 0.00 C ATOM 1213 OG SER A 77 10.239 -7.606 -3.880 1.00 0.00 O ATOM 0 H SER A 77 6.901 -7.233 -4.543 1.00 0.00 H new ATOM 0 HA SER A 77 8.186 -8.892 -2.491 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.091 -6.056 -3.166 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.765 -7.113 -1.941 1.00 0.00 H new ATOM 0 HG SER A 77 11.055 -7.063 -3.862 1.00 0.00 H new ATOM 1219 N ARG A 78 7.094 -7.333 -0.696 1.00 0.00 N ATOM 1220 CA ARG A 78 6.392 -6.477 0.266 1.00 0.00 C ATOM 1221 C ARG A 78 7.246 -6.280 1.524 1.00 0.00 C ATOM 1222 O ARG A 78 6.726 -6.093 2.623 1.00 0.00 O ATOM 1223 CB ARG A 78 4.970 -7.026 0.521 1.00 0.00 C ATOM 1224 CG ARG A 78 3.956 -5.878 0.652 1.00 0.00 C ATOM 1225 CD ARG A 78 2.519 -6.411 0.668 1.00 0.00 C ATOM 1226 NE ARG A 78 1.545 -5.359 0.320 1.00 0.00 N ATOM 1227 CZ ARG A 78 0.237 -5.553 0.115 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -0.325 -6.739 0.331 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -0.498 -4.537 -0.319 1.00 0.00 N ATOM 0 H ARG A 78 7.680 -8.047 -0.264 1.00 0.00 H new ATOM 0 HA ARG A 78 6.249 -5.476 -0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.677 -7.684 -0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.965 -7.627 1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.150 -5.320 1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.080 -5.182 -0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.429 -7.238 -0.036 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.289 -6.808 1.657 1.00 0.00 H new ATOM 0 HE ARG A 78 1.897 -4.406 0.228 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.243 -7.520 0.659 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.324 -6.867 0.169 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.064 -3.630 -0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.497 -4.663 -0.482 1.00 0.00 H new ATOM 1243 N SER A 79 8.566 -6.333 1.361 1.00 0.00 N ATOM 1244 CA SER A 79 9.569 -6.059 2.382 1.00 0.00 C ATOM 1245 C SER A 79 9.761 -4.537 2.419 1.00 0.00 C ATOM 1246 O SER A 79 10.804 -4.014 2.015 1.00 0.00 O ATOM 1247 CB SER A 79 10.857 -6.821 2.036 1.00 0.00 C ATOM 1248 OG SER A 79 10.590 -8.208 1.871 1.00 0.00 O ATOM 0 H SER A 79 8.985 -6.582 0.465 1.00 0.00 H new ATOM 0 HA SER A 79 9.266 -6.397 3.373 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.290 -6.417 1.121 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.594 -6.679 2.827 1.00 0.00 H new ATOM 0 HG SER A 79 11.421 -8.677 1.649 1.00 0.00 H new ATOM 1254 N LEU A 80 8.679 -3.832 2.770 1.00 0.00 N ATOM 1255 CA LEU A 80 8.510 -2.403 2.532 1.00 0.00 C ATOM 1256 C LEU A 80 9.662 -1.590 3.120 1.00 0.00 C ATOM 1257 O LEU A 80 10.247 -1.947 4.147 1.00 0.00 O ATOM 1258 CB LEU A 80 7.151 -1.915 3.069 1.00 0.00 C ATOM 1259 CG LEU A 80 5.912 -2.575 2.425 1.00 0.00 C ATOM 1260 CD1 LEU A 80 4.645 -1.831 2.856 1.00 0.00 C ATOM 1261 CD2 LEU A 80 5.974 -2.629 0.892 1.00 0.00 C ATOM 0 H LEU A 80 7.879 -4.256 3.239 1.00 0.00 H new ATOM 0 HA LEU A 80 8.525 -2.246 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.119 -2.092 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.086 -0.837 2.921 1.00 0.00 H new ATOM 0 HG LEU A 80 5.894 -3.606 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.774 -2.301 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.551 -1.871 3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.707 -0.791 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.072 -3.105 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.047 -1.617 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.847 -3.204 0.583 1.00 0.00 H new ATOM 1273 N GLU A 81 9.960 -0.475 2.462 1.00 0.00 N ATOM 1274 CA GLU A 81 11.157 0.334 2.657 1.00 0.00 C ATOM 1275 C GLU A 81 10.801 1.771 3.052 1.00 0.00 C ATOM 1276 O GLU A 81 11.674 2.508 3.516 1.00 0.00 O ATOM 1277 CB GLU A 81 12.036 0.253 1.394 1.00 0.00 C ATOM 1278 CG GLU A 81 11.425 0.900 0.135 1.00 0.00 C ATOM 1279 CD GLU A 81 12.112 0.397 -1.141 1.00 0.00 C ATOM 1280 OE1 GLU A 81 13.224 0.868 -1.470 1.00 0.00 O ATOM 1281 OE2 GLU A 81 11.525 -0.492 -1.799 1.00 0.00 O ATOM 0 H GLU A 81 9.344 -0.093 1.744 1.00 0.00 H new ATOM 0 HA GLU A 81 11.736 -0.062 3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 81 12.992 0.732 1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.245 -0.795 1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.359 0.676 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.520 1.984 0.198 1.00 0.00 H new ATOM 1288 N GLY A 82 9.529 2.170 2.909 1.00 0.00 N ATOM 1289 CA GLY A 82 8.986 3.420 3.437 1.00 0.00 C ATOM 1290 C GLY A 82 9.662 4.669 2.867 1.00 0.00 C ATOM 1291 O GLY A 82 9.576 5.744 3.465 1.00 0.00 O ATOM 0 H GLY A 82 8.835 1.614 2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.919 3.463 3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.091 3.423 4.522 1.00 0.00 H new ATOM 1295 N HIS A 83 10.372 4.532 1.744 1.00 0.00 N ATOM 1296 CA HIS A 83 11.094 5.625 1.123 1.00 0.00 C ATOM 1297 C HIS A 83 10.099 6.690 0.648 1.00 0.00 C ATOM 1298 O HIS A 83 8.974 6.379 0.251 1.00 0.00 O ATOM 1299 CB HIS A 83 11.947 5.084 -0.036 1.00 0.00 C ATOM 1300 CG HIS A 83 13.203 4.350 0.371 1.00 0.00 C ATOM 1301 ND1 HIS A 83 13.481 3.742 1.578 1.00 0.00 N ATOM 1302 CD2 HIS A 83 14.332 4.244 -0.397 1.00 0.00 C ATOM 1303 CE1 HIS A 83 14.750 3.304 1.540 1.00 0.00 C ATOM 1304 NE2 HIS A 83 15.326 3.612 0.362 1.00 0.00 N ATOM 0 H HIS A 83 10.457 3.648 1.243 1.00 0.00 H new ATOM 0 HA HIS A 83 11.766 6.091 1.844 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.332 4.412 -0.635 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.226 5.918 -0.679 1.00 0.00 H new ATOM 0 HD1 HIS A 83 12.836 3.643 2.362 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.438 4.589 -1.415 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.242 2.777 2.344 1.00 0.00 H new ATOM 1312 N HIS A 84 10.551 7.945 0.645 1.00 0.00 N ATOM 1313 CA HIS A 84 9.817 9.114 0.151 1.00 0.00 C ATOM 1314 C HIS A 84 10.696 9.871 -0.868 1.00 0.00 C ATOM 1315 O HIS A 84 10.582 11.086 -1.042 1.00 0.00 O ATOM 1316 CB HIS A 84 9.374 9.980 1.348 1.00 0.00 C ATOM 1317 CG HIS A 84 8.229 9.402 2.153 1.00 0.00 C ATOM 1318 ND1 HIS A 84 8.245 8.284 2.965 1.00 0.00 N ATOM 1319 CD2 HIS A 84 6.962 9.922 2.224 1.00 0.00 C ATOM 1320 CE1 HIS A 84 7.021 8.135 3.497 1.00 0.00 C ATOM 1321 NE2 HIS A 84 6.198 9.115 3.078 1.00 0.00 N ATOM 0 H HIS A 84 11.476 8.186 1.001 1.00 0.00 H new ATOM 0 HA HIS A 84 8.909 8.819 -0.375 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.228 10.127 2.009 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.082 10.964 0.980 1.00 0.00 H new ATOM 0 HD1 HIS A 84 9.048 7.677 3.131 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.612 10.804 1.709 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.736 7.339 4.169 1.00 0.00 H new ATOM 1329 N ARG A 85 11.612 9.148 -1.521 1.00 0.00 N ATOM 1330 CA ARG A 85 12.606 9.634 -2.474 1.00 0.00 C ATOM 1331 C ARG A 85 12.957 8.477 -3.402 1.00 0.00 C ATOM 1332 O ARG A 85 12.898 7.318 -2.983 1.00 0.00 O ATOM 1333 CB ARG A 85 13.879 10.127 -1.749 1.00 0.00 C ATOM 1334 CG ARG A 85 14.283 9.301 -0.509 1.00 0.00 C ATOM 1335 CD ARG A 85 15.792 9.326 -0.234 1.00 0.00 C ATOM 1336 NE ARG A 85 16.488 8.279 -1.006 1.00 0.00 N ATOM 1337 CZ ARG A 85 16.578 6.984 -0.674 1.00 0.00 C ATOM 1338 NH1 ARG A 85 16.136 6.540 0.501 1.00 0.00 N ATOM 1339 NH2 ARG A 85 17.105 6.133 -1.542 1.00 0.00 N ATOM 0 H ARG A 85 11.680 8.139 -1.386 1.00 0.00 H new ATOM 0 HA ARG A 85 12.199 10.477 -3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 85 14.708 10.121 -2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.728 11.162 -1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 85 13.754 9.685 0.364 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.962 8.269 -0.647 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.196 10.304 -0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.974 9.179 0.831 1.00 0.00 H new ATOM 0 HE ARG A 85 16.943 8.568 -1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.719 7.190 1.168 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.214 5.550 0.734 1.00 0.00 H new ATOM 0 HH21 ARG A 85 17.435 6.467 -2.448 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.181 5.144 -1.305 1.00 0.00 H new ATOM 1353 N PHE A 86 13.365 8.784 -4.629 1.00 0.00 N ATOM 1354 CA PHE A 86 13.978 7.827 -5.539 1.00 0.00 C ATOM 1355 C PHE A 86 15.449 8.230 -5.690 1.00 0.00 C ATOM 1356 O PHE A 86 15.762 9.421 -5.569 1.00 0.00 O ATOM 1357 CB PHE A 86 13.232 7.811 -6.886 1.00 0.00 C ATOM 1358 CG PHE A 86 13.430 6.538 -7.691 1.00 0.00 C ATOM 1359 CD1 PHE A 86 13.000 5.299 -7.192 1.00 0.00 C ATOM 1360 CD2 PHE A 86 14.027 6.586 -8.958 1.00 0.00 C ATOM 1361 CE1 PHE A 86 13.241 4.113 -7.905 1.00 0.00 C ATOM 1362 CE2 PHE A 86 14.262 5.405 -9.685 1.00 0.00 C ATOM 1363 CZ PHE A 86 13.885 4.164 -9.150 1.00 0.00 C ATOM 0 H PHE A 86 13.277 9.720 -5.024 1.00 0.00 H new ATOM 0 HA PHE A 86 13.917 6.811 -5.150 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.167 7.949 -6.701 1.00 0.00 H new ATOM 0 HB3 PHE A 86 13.564 8.661 -7.483 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.477 5.257 -6.248 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.309 7.539 -9.380 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.931 3.163 -7.495 1.00 0.00 H new ATOM 0 HE2 PHE A 86 14.733 5.454 -10.656 1.00 0.00 H new ATOM 0 HZ PHE A 86 14.089 3.253 -9.694 1.00 0.00 H new ATOM 1373 N SER A 87 16.339 7.269 -5.947 1.00 0.00 N ATOM 1374 CA SER A 87 17.775 7.535 -6.065 1.00 0.00 C ATOM 1375 C SER A 87 18.400 6.811 -7.258 1.00 0.00 C ATOM 1376 O SER A 87 17.874 5.799 -7.731 1.00 0.00 O ATOM 1377 CB SER A 87 18.467 7.126 -4.759 1.00 0.00 C ATOM 1378 OG SER A 87 17.923 7.844 -3.659 1.00 0.00 O ATOM 0 H SER A 87 16.087 6.289 -6.079 1.00 0.00 H new ATOM 0 HA SER A 87 17.914 8.602 -6.241 1.00 0.00 H new ATOM 0 HB2 SER A 87 18.346 6.055 -4.597 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.537 7.318 -4.832 1.00 0.00 H new ATOM 0 HG SER A 87 18.597 7.920 -2.952 1.00 0.00 H new ATOM 1384 N ILE A 88 19.538 7.320 -7.737 1.00 0.00 N ATOM 1385 CA ILE A 88 20.464 6.579 -8.590 1.00 0.00 C ATOM 1386 C ILE A 88 21.616 6.195 -7.657 1.00 0.00 C ATOM 1387 O ILE A 88 22.057 7.025 -6.854 1.00 0.00 O ATOM 1388 CB ILE A 88 20.974 7.409 -9.801 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.841 8.139 -10.552 1.00 0.00 C ATOM 1390 CG2 ILE A 88 21.704 6.480 -10.792 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.288 9.024 -11.719 1.00 0.00 C ATOM 0 H ILE A 88 19.844 8.273 -7.539 1.00 0.00 H new ATOM 0 HA ILE A 88 19.976 5.715 -9.042 1.00 0.00 H new ATOM 0 HB ILE A 88 21.647 8.167 -9.401 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.141 7.394 -10.931 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.295 8.756 -9.839 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.061 7.063 -11.641 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.551 6.009 -10.293 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.016 5.711 -11.144 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.416 9.490 -12.177 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.962 9.798 -11.351 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.805 8.415 -12.460 1.00 0.00 H new ATOM 1403 N VAL A 89 22.108 4.963 -7.758 1.00 0.00 N ATOM 1404 CA VAL A 89 23.248 4.475 -6.987 1.00 0.00 C ATOM 1405 C VAL A 89 24.254 3.896 -7.993 1.00 0.00 C ATOM 1406 O VAL A 89 23.877 3.451 -9.081 1.00 0.00 O ATOM 1407 CB VAL A 89 22.775 3.487 -5.890 1.00 0.00 C ATOM 1408 CG1 VAL A 89 23.906 3.114 -4.920 1.00 0.00 C ATOM 1409 CG2 VAL A 89 21.604 4.047 -5.057 1.00 0.00 C ATOM 0 H VAL A 89 21.718 4.263 -8.390 1.00 0.00 H new ATOM 0 HA VAL A 89 23.750 5.268 -6.433 1.00 0.00 H new ATOM 0 HB VAL A 89 22.445 2.601 -6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 89 23.527 2.420 -4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 89 24.719 2.643 -5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 89 24.276 4.014 -4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 89 21.311 3.316 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.915 4.969 -4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 89 20.757 4.252 -5.712 1.00 0.00 H new ATOM 1419 N TYR A 90 25.543 3.941 -7.651 1.00 0.00 N ATOM 1420 CA TYR A 90 26.641 3.787 -8.598 1.00 0.00 C ATOM 1421 C TYR A 90 27.559 2.667 -8.107 1.00 0.00 C ATOM 1422 O TYR A 90 28.662 2.910 -7.608 1.00 0.00 O ATOM 1423 CB TYR A 90 27.350 5.137 -8.803 1.00 0.00 C ATOM 1424 CG TYR A 90 26.466 6.218 -9.403 1.00 0.00 C ATOM 1425 CD1 TYR A 90 26.330 6.320 -10.801 1.00 0.00 C ATOM 1426 CD2 TYR A 90 25.777 7.121 -8.568 1.00 0.00 C ATOM 1427 CE1 TYR A 90 25.524 7.327 -11.364 1.00 0.00 C ATOM 1428 CE2 TYR A 90 24.964 8.126 -9.124 1.00 0.00 C ATOM 1429 CZ TYR A 90 24.840 8.238 -10.528 1.00 0.00 C ATOM 1430 OH TYR A 90 24.080 9.221 -11.087 1.00 0.00 O ATOM 0 H TYR A 90 25.855 4.088 -6.691 1.00 0.00 H new ATOM 0 HA TYR A 90 26.279 3.492 -9.583 1.00 0.00 H new ATOM 0 HB2 TYR A 90 27.730 5.485 -7.842 1.00 0.00 H new ATOM 0 HB3 TYR A 90 28.213 4.987 -9.452 1.00 0.00 H new ATOM 0 HD1 TYR A 90 26.846 5.622 -11.444 1.00 0.00 H new ATOM 0 HD2 TYR A 90 25.874 7.041 -7.495 1.00 0.00 H new ATOM 0 HE1 TYR A 90 25.428 7.404 -12.437 1.00 0.00 H new ATOM 0 HE2 TYR A 90 24.435 8.812 -8.479 1.00 0.00 H new ATOM 0 HH TYR A 90 23.674 9.764 -10.379 1.00 0.00 H new ATOM 1440 N SER A 91 27.048 1.436 -8.191 1.00 0.00 N ATOM 1441 CA SER A 91 27.762 0.201 -7.897 1.00 0.00 C ATOM 1442 C SER A 91 29.131 0.196 -8.582 1.00 0.00 C ATOM 1443 O SER A 91 30.130 -0.157 -7.920 1.00 0.00 O ATOM 1444 CB SER A 91 26.913 -0.991 -8.361 1.00 0.00 C ATOM 1445 OG SER A 91 25.535 -0.795 -8.077 1.00 0.00 O ATOM 1446 OXT SER A 91 29.200 0.540 -9.783 1.00 0.00 O ATOM 0 H SER A 91 26.083 1.271 -8.479 1.00 0.00 H new ATOM 0 HA SER A 91 27.930 0.124 -6.823 1.00 0.00 H new ATOM 0 HB2 SER A 91 27.047 -1.138 -9.433 1.00 0.00 H new ATOM 0 HB3 SER A 91 27.261 -1.899 -7.869 1.00 0.00 H new ATOM 0 HG SER A 91 24.996 -1.144 -8.817 1.00 0.00 H new TER 1452 SER A 91