USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 573 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 20 ASN : amide:sc= 2.07 K(o=3.3,f=-0.37) USER MOD Set 1.2: B 19 GLN : amide:sc= 1.2 K(o=3.3,f=0.9) USER MOD Set 1.3: B 20 ASN :FLIP amide:sc= 0 F(o=0.56,f=3.3) USER MOD Single : A 3 SER OG : rot 31:sc= 0.209 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00122 USER MOD Single : A 12 LYS NZ :NH3+ -159:sc= -0.0699 (180deg=-0.399) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 19 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.35) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 1.12 K(o=1.1,f=-0.056) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 167:sc=-0.00598 (180deg=-0.148) USER MOD Single : B 4 SER OG : rot 26:sc= 0.19 USER MOD Single : B 5 SER OG : rot 180:sc= 0.00804 USER MOD Single : B 12 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0127) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 17 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.6!) USER MOD Single : B 25 ASN : amide:sc= -0.0561 X(o=-0.056,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -169:sc= -0.0627 (180deg=-0.261) USER MOD ----------------------------------------------------------------- ATOM 24 N SER A 3 -25.984 9.072 0.130 1.00 0.00 N ATOM 25 CA SER A 3 -25.080 10.175 -0.169 1.00 0.00 C ATOM 26 C SER A 3 -23.866 10.162 0.762 1.00 0.00 C ATOM 27 O SER A 3 -22.723 10.114 0.302 1.00 0.00 O ATOM 28 CB SER A 3 -25.828 11.505 -0.049 1.00 0.00 C ATOM 29 OG SER A 3 -27.039 11.475 -0.787 1.00 0.00 O ATOM 0 HA SER A 3 -24.719 10.057 -1.191 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.042 11.713 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.196 12.316 -0.412 1.00 0.00 H new ATOM 0 HG SER A 3 -27.389 10.560 -0.805 1.00 0.00 H new ATOM 35 N SER A 4 -24.115 10.182 2.066 1.00 0.00 N ATOM 36 CA SER A 4 -23.039 10.175 3.048 1.00 0.00 C ATOM 37 C SER A 4 -22.276 8.856 3.001 1.00 0.00 C ATOM 38 O SER A 4 -21.058 8.827 3.177 1.00 0.00 O ATOM 39 CB SER A 4 -23.600 10.408 4.450 1.00 0.00 C ATOM 40 OG SER A 4 -24.305 11.639 4.520 1.00 0.00 O ATOM 0 H SER A 4 -25.053 10.203 2.467 1.00 0.00 H new ATOM 0 HA SER A 4 -22.348 10.983 2.805 1.00 0.00 H new ATOM 0 HB2 SER A 4 -24.266 9.588 4.720 1.00 0.00 H new ATOM 0 HB3 SER A 4 -22.786 10.410 5.175 1.00 0.00 H new ATOM 0 HG SER A 4 -24.656 11.764 5.427 1.00 0.00 H new ATOM 46 N SER A 5 -23.002 7.776 2.746 1.00 0.00 N ATOM 47 CA SER A 5 -22.411 6.447 2.653 1.00 0.00 C ATOM 48 C SER A 5 -21.400 6.383 1.509 1.00 0.00 C ATOM 49 O SER A 5 -20.260 5.951 1.691 1.00 0.00 O ATOM 50 CB SER A 5 -23.517 5.415 2.434 1.00 0.00 C ATOM 51 OG SER A 5 -24.598 5.637 3.326 1.00 0.00 O ATOM 0 H SER A 5 -24.011 7.795 2.598 1.00 0.00 H new ATOM 0 HA SER A 5 -21.886 6.228 3.583 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.872 5.469 1.405 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.118 4.411 2.582 1.00 0.00 H new ATOM 0 HG SER A 5 -25.295 4.967 3.168 1.00 0.00 H new ATOM 57 N LEU A 6 -21.822 6.833 0.334 1.00 0.00 N ATOM 58 CA LEU A 6 -20.966 6.822 -0.844 1.00 0.00 C ATOM 59 C LEU A 6 -19.774 7.757 -0.653 1.00 0.00 C ATOM 60 O LEU A 6 -18.656 7.444 -1.061 1.00 0.00 O ATOM 61 CB LEU A 6 -21.770 7.235 -2.080 1.00 0.00 C ATOM 62 CG LEU A 6 -21.017 7.152 -3.411 1.00 0.00 C ATOM 63 CD1 LEU A 6 -20.601 5.720 -3.704 1.00 0.00 C ATOM 64 CD2 LEU A 6 -21.875 7.702 -4.538 1.00 0.00 C ATOM 0 H LEU A 6 -22.755 7.211 0.172 1.00 0.00 H new ATOM 0 HA LEU A 6 -20.588 5.810 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.656 6.604 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -22.117 8.259 -1.941 1.00 0.00 H new ATOM 0 HG LEU A 6 -20.115 7.759 -3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -20.068 5.683 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -19.949 5.360 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -21.487 5.088 -3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -21.327 7.637 -5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -22.794 7.121 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -22.121 8.744 -4.333 1.00 0.00 H new ATOM 76 N GLU A 7 -20.016 8.894 -0.012 1.00 0.00 N ATOM 77 CA GLU A 7 -18.959 9.861 0.247 1.00 0.00 C ATOM 78 C GLU A 7 -17.953 9.307 1.257 1.00 0.00 C ATOM 79 O GLU A 7 -16.758 9.603 1.182 1.00 0.00 O ATOM 80 CB GLU A 7 -19.545 11.173 0.761 1.00 0.00 C ATOM 81 CG GLU A 7 -18.501 12.260 0.958 1.00 0.00 C ATOM 82 CD GLU A 7 -19.062 13.491 1.629 1.00 0.00 C ATOM 83 OE1 GLU A 7 -19.404 13.412 2.825 1.00 0.00 O ATOM 84 OE2 GLU A 7 -19.149 14.544 0.966 1.00 0.00 O ATOM 0 H GLU A 7 -20.934 9.168 0.337 1.00 0.00 H new ATOM 0 HA GLU A 7 -18.440 10.052 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -20.299 11.526 0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -20.053 10.990 1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.681 11.866 1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -18.084 12.537 -0.010 1.00 0.00 H new ATOM 91 N ALA A 8 -18.438 8.510 2.207 1.00 0.00 N ATOM 92 CA ALA A 8 -17.567 7.860 3.173 1.00 0.00 C ATOM 93 C ALA A 8 -16.620 6.907 2.458 1.00 0.00 C ATOM 94 O ALA A 8 -15.416 6.893 2.720 1.00 0.00 O ATOM 95 CB ALA A 8 -18.386 7.118 4.220 1.00 0.00 C ATOM 0 H ALA A 8 -19.429 8.301 2.325 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.978 8.622 3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -17.716 6.638 4.933 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -19.030 7.823 4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -18.999 6.360 3.732 1.00 0.00 H new ATOM 101 N VAL A 9 -17.172 6.126 1.536 1.00 0.00 N ATOM 102 CA VAL A 9 -16.369 5.234 0.709 1.00 0.00 C ATOM 103 C VAL A 9 -15.410 6.040 -0.166 1.00 0.00 C ATOM 104 O VAL A 9 -14.234 5.698 -0.293 1.00 0.00 O ATOM 105 CB VAL A 9 -17.258 4.347 -0.189 1.00 0.00 C ATOM 106 CG1 VAL A 9 -16.417 3.399 -1.029 1.00 0.00 C ATOM 107 CG2 VAL A 9 -18.261 3.569 0.648 1.00 0.00 C ATOM 0 H VAL A 9 -18.173 6.093 1.343 1.00 0.00 H new ATOM 0 HA VAL A 9 -15.799 4.589 1.379 1.00 0.00 H new ATOM 0 HB VAL A 9 -17.806 5.002 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.070 2.787 -1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -15.745 3.975 -1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -15.832 2.754 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -18.877 2.951 -0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -17.729 2.932 1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -18.897 4.266 1.194 1.00 0.00 H new ATOM 117 N ARG A 10 -15.929 7.117 -0.752 1.00 0.00 N ATOM 118 CA ARG A 10 -15.143 8.028 -1.583 1.00 0.00 C ATOM 119 C ARG A 10 -13.890 8.508 -0.852 1.00 0.00 C ATOM 120 O ARG A 10 -12.778 8.397 -1.374 1.00 0.00 O ATOM 121 CB ARG A 10 -16.012 9.223 -1.992 1.00 0.00 C ATOM 122 CG ARG A 10 -15.237 10.393 -2.570 1.00 0.00 C ATOM 123 CD ARG A 10 -16.148 11.586 -2.811 1.00 0.00 C ATOM 124 NE ARG A 10 -15.403 12.835 -2.940 1.00 0.00 N ATOM 125 CZ ARG A 10 -15.960 14.044 -2.876 1.00 0.00 C ATOM 126 NH1 ARG A 10 -17.275 14.175 -2.748 1.00 0.00 N ATOM 127 NH2 ARG A 10 -15.202 15.123 -2.952 1.00 0.00 N ATOM 0 H ARG A 10 -16.910 7.384 -0.664 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.818 7.490 -2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.744 8.889 -2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.569 9.567 -1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -14.436 10.675 -1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.767 10.095 -3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.731 11.418 -3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -16.857 11.672 -1.987 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.395 12.779 -3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.868 13.346 -2.698 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.693 15.104 -2.700 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.192 15.030 -3.060 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.627 16.049 -2.903 1.00 0.00 H new ATOM 141 N ARG A 11 -14.068 9.030 0.359 1.00 0.00 N ATOM 142 CA ARG A 11 -12.948 9.520 1.152 1.00 0.00 C ATOM 143 C ARG A 11 -11.992 8.384 1.478 1.00 0.00 C ATOM 144 O ARG A 11 -10.772 8.540 1.409 1.00 0.00 O ATOM 145 CB ARG A 11 -13.444 10.160 2.452 1.00 0.00 C ATOM 146 CG ARG A 11 -12.330 10.745 3.313 1.00 0.00 C ATOM 147 CD ARG A 11 -12.862 11.267 4.640 1.00 0.00 C ATOM 148 NE ARG A 11 -13.970 12.203 4.455 1.00 0.00 N ATOM 149 CZ ARG A 11 -13.951 13.477 4.833 1.00 0.00 C ATOM 150 NH1 ARG A 11 -12.909 13.976 5.491 1.00 0.00 N ATOM 151 NH2 ARG A 11 -14.997 14.253 4.568 1.00 0.00 N ATOM 0 H ARG A 11 -14.978 9.124 0.811 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.423 10.273 0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.156 10.949 2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.984 9.411 3.032 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.574 9.982 3.498 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.840 11.555 2.773 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.194 10.429 5.253 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.057 11.761 5.184 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.816 11.854 4.005 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.112 13.379 5.711 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.907 14.956 5.775 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.805 13.870 4.078 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.991 15.232 4.854 1.00 0.00 H new ATOM 165 N LYS A 12 -12.564 7.237 1.819 1.00 0.00 N ATOM 166 CA LYS A 12 -11.786 6.085 2.236 1.00 0.00 C ATOM 167 C LYS A 12 -10.873 5.603 1.113 1.00 0.00 C ATOM 168 O LYS A 12 -9.660 5.517 1.291 1.00 0.00 O ATOM 169 CB LYS A 12 -12.720 4.955 2.679 1.00 0.00 C ATOM 170 CG LYS A 12 -12.035 3.870 3.494 1.00 0.00 C ATOM 171 CD LYS A 12 -11.393 4.441 4.749 1.00 0.00 C ATOM 172 CE LYS A 12 -11.025 3.348 5.738 1.00 0.00 C ATOM 173 NZ LYS A 12 -12.229 2.672 6.288 1.00 0.00 N ATOM 0 H LYS A 12 -13.572 7.082 1.814 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.159 6.383 3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.533 5.379 3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.170 4.502 1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.762 3.107 3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.275 3.380 2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.499 5.002 4.477 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.079 5.144 5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.388 2.613 5.246 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.444 3.777 6.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.986 2.205 7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.976 3.376 6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.569 1.961 5.609 1.00 0.00 H new ATOM 187 N ILE A 13 -11.454 5.318 -0.048 1.00 0.00 N ATOM 188 CA ILE A 13 -10.688 4.789 -1.170 1.00 0.00 C ATOM 189 C ILE A 13 -9.676 5.809 -1.681 1.00 0.00 C ATOM 190 O ILE A 13 -8.557 5.446 -2.036 1.00 0.00 O ATOM 191 CB ILE A 13 -11.593 4.326 -2.335 1.00 0.00 C ATOM 192 CG1 ILE A 13 -12.458 5.478 -2.859 1.00 0.00 C ATOM 193 CG2 ILE A 13 -12.467 3.161 -1.890 1.00 0.00 C ATOM 194 CD1 ILE A 13 -13.299 5.115 -4.065 1.00 0.00 C ATOM 0 H ILE A 13 -12.449 5.444 -0.236 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.156 3.917 -0.790 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.952 3.994 -3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.116 5.819 -2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -11.811 6.316 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -13.100 2.844 -2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.834 2.330 -1.578 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -13.093 3.474 -1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.882 5.982 -4.376 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -12.648 4.803 -4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.973 4.298 -3.806 1.00 0.00 H new ATOM 206 N ARG A 14 -10.063 7.081 -1.696 1.00 0.00 N ATOM 207 CA ARG A 14 -9.171 8.147 -2.135 1.00 0.00 C ATOM 208 C ARG A 14 -7.962 8.250 -1.213 1.00 0.00 C ATOM 209 O ARG A 14 -6.817 8.299 -1.677 1.00 0.00 O ATOM 210 CB ARG A 14 -9.922 9.483 -2.198 1.00 0.00 C ATOM 211 CG ARG A 14 -9.017 10.696 -2.326 1.00 0.00 C ATOM 212 CD ARG A 14 -9.813 11.952 -2.630 1.00 0.00 C ATOM 213 NE ARG A 14 -9.073 13.165 -2.277 1.00 0.00 N ATOM 214 CZ ARG A 14 -8.156 13.748 -3.051 1.00 0.00 C ATOM 215 NH1 ARG A 14 -7.871 13.260 -4.255 1.00 0.00 N ATOM 216 NH2 ARG A 14 -7.530 14.834 -2.618 1.00 0.00 N ATOM 0 H ARG A 14 -10.989 7.398 -1.409 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.814 7.907 -3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.607 9.463 -3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -10.529 9.589 -1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.457 10.833 -1.401 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.287 10.525 -3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -10.064 11.975 -3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -10.754 11.928 -2.080 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.273 13.595 -1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.356 12.430 -4.597 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.168 13.716 -4.837 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.751 15.218 -1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.828 15.286 -3.204 1.00 0.00 H new ATOM 230 N SER A 15 -8.221 8.260 0.087 1.00 0.00 N ATOM 231 CA SER A 15 -7.160 8.316 1.075 1.00 0.00 C ATOM 232 C SER A 15 -6.234 7.112 0.920 1.00 0.00 C ATOM 233 O SER A 15 -5.012 7.258 0.890 1.00 0.00 O ATOM 234 CB SER A 15 -7.754 8.352 2.488 1.00 0.00 C ATOM 235 OG SER A 15 -6.747 8.536 3.470 1.00 0.00 O ATOM 0 H SER A 15 -9.162 8.230 0.480 1.00 0.00 H new ATOM 0 HA SER A 15 -6.580 9.226 0.918 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.483 9.159 2.557 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.289 7.422 2.683 1.00 0.00 H new ATOM 0 HG SER A 15 -7.157 8.556 4.360 1.00 0.00 H new ATOM 241 N LEU A 16 -6.831 5.926 0.785 1.00 0.00 N ATOM 242 CA LEU A 16 -6.072 4.686 0.662 1.00 0.00 C ATOM 243 C LEU A 16 -5.199 4.682 -0.589 1.00 0.00 C ATOM 244 O LEU A 16 -4.027 4.324 -0.524 1.00 0.00 O ATOM 245 CB LEU A 16 -7.013 3.478 0.648 1.00 0.00 C ATOM 246 CG LEU A 16 -7.771 3.228 1.954 1.00 0.00 C ATOM 247 CD1 LEU A 16 -8.703 2.034 1.813 1.00 0.00 C ATOM 248 CD2 LEU A 16 -6.799 3.021 3.105 1.00 0.00 C ATOM 0 H LEU A 16 -7.843 5.801 0.758 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.416 4.618 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.738 3.612 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.432 2.588 0.407 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.377 4.107 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.233 1.873 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.424 2.227 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.121 1.145 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.357 2.845 4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.164 2.160 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.178 3.910 3.221 1.00 0.00 H new ATOM 260 N GLN A 17 -5.766 5.083 -1.722 1.00 0.00 N ATOM 261 CA GLN A 17 -5.019 5.111 -2.978 1.00 0.00 C ATOM 262 C GLN A 17 -3.805 6.027 -2.872 1.00 0.00 C ATOM 263 O GLN A 17 -2.707 5.674 -3.304 1.00 0.00 O ATOM 264 CB GLN A 17 -5.904 5.563 -4.140 1.00 0.00 C ATOM 265 CG GLN A 17 -7.002 4.575 -4.500 1.00 0.00 C ATOM 266 CD GLN A 17 -7.822 5.030 -5.691 1.00 0.00 C ATOM 267 OE1 GLN A 17 -7.320 5.723 -6.577 1.00 0.00 O ATOM 268 NE2 GLN A 17 -9.089 4.649 -5.719 1.00 0.00 N ATOM 0 H GLN A 17 -6.735 5.392 -1.798 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.679 4.094 -3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.359 6.520 -3.886 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.278 5.731 -5.017 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.556 3.605 -4.719 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.659 4.438 -3.641 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.466 4.075 -4.965 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.689 4.929 -6.495 1.00 0.00 H new ATOM 277 N GLU A 18 -4.002 7.198 -2.285 1.00 0.00 N ATOM 278 CA GLU A 18 -2.915 8.147 -2.123 1.00 0.00 C ATOM 279 C GLU A 18 -1.900 7.638 -1.101 1.00 0.00 C ATOM 280 O GLU A 18 -0.689 7.790 -1.287 1.00 0.00 O ATOM 281 CB GLU A 18 -3.464 9.507 -1.708 1.00 0.00 C ATOM 282 CG GLU A 18 -2.387 10.560 -1.544 1.00 0.00 C ATOM 283 CD GLU A 18 -2.951 11.921 -1.214 1.00 0.00 C ATOM 284 OE1 GLU A 18 -3.332 12.145 -0.047 1.00 0.00 O ATOM 285 OE2 GLU A 18 -3.009 12.777 -2.120 1.00 0.00 O ATOM 0 H GLU A 18 -4.900 7.511 -1.915 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.403 8.256 -3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.183 9.845 -2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.006 9.402 -0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.702 10.253 -0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.805 10.625 -2.463 1.00 0.00 H new ATOM 292 N GLN A 19 -2.400 7.023 -0.036 1.00 0.00 N ATOM 293 CA GLN A 19 -1.547 6.472 1.009 1.00 0.00 C ATOM 294 C GLN A 19 -0.650 5.376 0.437 1.00 0.00 C ATOM 295 O GLN A 19 0.559 5.371 0.665 1.00 0.00 O ATOM 296 CB GLN A 19 -2.404 5.917 2.150 1.00 0.00 C ATOM 297 CG GLN A 19 -1.615 5.573 3.398 1.00 0.00 C ATOM 298 CD GLN A 19 -0.908 6.777 3.988 1.00 0.00 C ATOM 299 OE1 GLN A 19 0.247 7.056 3.665 1.00 0.00 O ATOM 300 NE2 GLN A 19 -1.607 7.521 4.829 1.00 0.00 N ATOM 0 H GLN A 19 -3.399 6.893 0.127 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.914 7.268 1.402 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.169 6.649 2.406 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.922 5.023 1.801 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.287 5.149 4.144 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.879 4.805 3.159 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.562 7.256 5.072 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.191 8.360 5.235 1.00 0.00 H new ATOM 309 N ASN A 20 -1.247 4.463 -0.326 1.00 0.00 N ATOM 310 CA ASN A 20 -0.492 3.396 -0.984 1.00 0.00 C ATOM 311 C ASN A 20 0.560 3.980 -1.915 1.00 0.00 C ATOM 312 O ASN A 20 1.698 3.509 -1.956 1.00 0.00 O ATOM 313 CB ASN A 20 -1.421 2.469 -1.780 1.00 0.00 C ATOM 314 CG ASN A 20 -2.115 1.431 -0.914 1.00 0.00 C ATOM 315 OD1 ASN A 20 -1.606 0.331 -0.711 1.00 0.00 O ATOM 316 ND2 ASN A 20 -3.286 1.770 -0.397 1.00 0.00 N ATOM 0 H ASN A 20 -2.251 4.440 -0.505 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.000 2.813 -0.205 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.174 3.070 -2.290 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.843 1.961 -2.552 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.795 1.109 0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.679 2.692 -0.586 1.00 0.00 H new ATOM 323 N TYR A 21 0.172 5.014 -2.654 1.00 0.00 N ATOM 324 CA TYR A 21 1.075 5.695 -3.572 1.00 0.00 C ATOM 325 C TYR A 21 2.269 6.262 -2.805 1.00 0.00 C ATOM 326 O TYR A 21 3.424 6.091 -3.210 1.00 0.00 O ATOM 327 CB TYR A 21 0.321 6.822 -4.291 1.00 0.00 C ATOM 328 CG TYR A 21 1.067 7.436 -5.454 1.00 0.00 C ATOM 329 CD1 TYR A 21 1.005 6.860 -6.717 1.00 0.00 C ATOM 330 CD2 TYR A 21 1.824 8.590 -5.295 1.00 0.00 C ATOM 331 CE1 TYR A 21 1.671 7.418 -7.789 1.00 0.00 C ATOM 332 CE2 TYR A 21 2.496 9.155 -6.363 1.00 0.00 C ATOM 333 CZ TYR A 21 2.415 8.566 -7.608 1.00 0.00 C ATOM 334 OH TYR A 21 3.080 9.122 -8.676 1.00 0.00 O ATOM 0 H TYR A 21 -0.772 5.401 -2.633 1.00 0.00 H new ATOM 0 HA TYR A 21 1.443 4.984 -4.312 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.631 6.432 -4.652 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.091 7.606 -3.569 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.426 5.960 -6.862 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.889 9.053 -4.322 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.610 6.959 -8.765 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.081 10.052 -6.224 1.00 0.00 H new ATOM 0 HH TYR A 21 3.556 9.927 -8.382 1.00 0.00 H new ATOM 344 N HIS A 22 1.979 6.922 -1.690 1.00 0.00 N ATOM 345 CA HIS A 22 3.018 7.491 -0.839 1.00 0.00 C ATOM 346 C HIS A 22 3.945 6.403 -0.319 1.00 0.00 C ATOM 347 O HIS A 22 5.160 6.491 -0.475 1.00 0.00 O ATOM 348 CB HIS A 22 2.408 8.243 0.348 1.00 0.00 C ATOM 349 CG HIS A 22 1.804 9.571 0.003 1.00 0.00 C ATOM 350 ND1 HIS A 22 1.409 10.479 0.960 1.00 0.00 N ATOM 351 CD2 HIS A 22 1.518 10.140 -1.193 1.00 0.00 C ATOM 352 CE1 HIS A 22 0.906 11.546 0.373 1.00 0.00 C ATOM 353 NE2 HIS A 22 0.963 11.366 -0.932 1.00 0.00 N ATOM 0 H HIS A 22 1.029 7.077 -1.353 1.00 0.00 H new ATOM 0 HA HIS A 22 3.590 8.192 -1.447 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.640 7.617 0.802 1.00 0.00 H new ATOM 0 HB3 HIS A 22 3.181 8.395 1.101 1.00 0.00 H new ATOM 0 HD2 HIS A 22 1.694 9.709 -2.168 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.514 12.418 0.875 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.645 12.033 -1.635 1.00 0.00 H new ATOM 362 N LEU A 23 3.360 5.368 0.275 1.00 0.00 N ATOM 363 CA LEU A 23 4.129 4.277 0.863 1.00 0.00 C ATOM 364 C LEU A 23 5.034 3.620 -0.171 1.00 0.00 C ATOM 365 O LEU A 23 6.208 3.376 0.101 1.00 0.00 O ATOM 366 CB LEU A 23 3.197 3.230 1.479 1.00 0.00 C ATOM 367 CG LEU A 23 2.352 3.718 2.661 1.00 0.00 C ATOM 368 CD1 LEU A 23 1.450 2.601 3.163 1.00 0.00 C ATOM 369 CD2 LEU A 23 3.242 4.231 3.784 1.00 0.00 C ATOM 0 H LEU A 23 2.349 5.262 0.362 1.00 0.00 H new ATOM 0 HA LEU A 23 4.755 4.701 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.527 2.863 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.798 2.382 1.809 1.00 0.00 H new ATOM 0 HG LEU A 23 1.726 4.543 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.856 2.962 4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.786 2.281 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.061 1.758 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.622 4.572 4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.895 3.428 4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.847 5.060 3.418 1.00 0.00 H new ATOM 381 N GLU A 24 4.489 3.356 -1.354 1.00 0.00 N ATOM 382 CA GLU A 24 5.249 2.722 -2.428 1.00 0.00 C ATOM 383 C GLU A 24 6.483 3.545 -2.789 1.00 0.00 C ATOM 384 O GLU A 24 7.600 3.024 -2.859 1.00 0.00 O ATOM 385 CB GLU A 24 4.377 2.548 -3.675 1.00 0.00 C ATOM 386 CG GLU A 24 5.098 1.868 -4.825 1.00 0.00 C ATOM 387 CD GLU A 24 4.355 1.970 -6.136 1.00 0.00 C ATOM 388 OE1 GLU A 24 3.434 1.163 -6.371 1.00 0.00 O ATOM 389 OE2 GLU A 24 4.697 2.859 -6.944 1.00 0.00 O ATOM 0 H GLU A 24 3.522 3.572 -1.595 1.00 0.00 H new ATOM 0 HA GLU A 24 5.569 1.744 -2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.494 1.964 -3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.026 3.526 -4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.087 2.313 -4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.248 0.816 -4.580 1.00 0.00 H new ATOM 396 N ASN A 25 6.279 4.835 -3.011 1.00 0.00 N ATOM 397 CA ASN A 25 7.372 5.709 -3.409 1.00 0.00 C ATOM 398 C ASN A 25 8.330 5.946 -2.252 1.00 0.00 C ATOM 399 O ASN A 25 9.545 6.001 -2.443 1.00 0.00 O ATOM 400 CB ASN A 25 6.836 7.042 -3.945 1.00 0.00 C ATOM 401 CG ASN A 25 6.243 6.900 -5.332 1.00 0.00 C ATOM 402 OD1 ASN A 25 6.939 7.046 -6.336 1.00 0.00 O ATOM 403 ND2 ASN A 25 4.953 6.611 -5.409 1.00 0.00 N ATOM 0 H ASN A 25 5.374 5.297 -2.923 1.00 0.00 H new ATOM 0 HA ASN A 25 7.922 5.213 -4.209 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.077 7.427 -3.264 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.644 7.774 -3.969 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.508 6.503 -6.320 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.404 6.496 -4.557 1.00 0.00 H new ATOM 410 N GLU A 26 7.786 6.056 -1.052 1.00 0.00 N ATOM 411 CA GLU A 26 8.594 6.298 0.130 1.00 0.00 C ATOM 412 C GLU A 26 9.490 5.100 0.437 1.00 0.00 C ATOM 413 O GLU A 26 10.680 5.265 0.709 1.00 0.00 O ATOM 414 CB GLU A 26 7.697 6.633 1.320 1.00 0.00 C ATOM 415 CG GLU A 26 8.456 7.064 2.563 1.00 0.00 C ATOM 416 CD GLU A 26 7.584 7.833 3.530 1.00 0.00 C ATOM 417 OE1 GLU A 26 6.929 7.206 4.388 1.00 0.00 O ATOM 418 OE2 GLU A 26 7.540 9.078 3.426 1.00 0.00 O ATOM 0 H GLU A 26 6.785 5.981 -0.871 1.00 0.00 H new ATOM 0 HA GLU A 26 9.244 7.152 -0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.010 7.429 1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.090 5.760 1.562 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.860 6.184 3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.305 7.683 2.272 1.00 0.00 H new ATOM 425 N VAL A 27 8.932 3.892 0.359 1.00 0.00 N ATOM 426 CA VAL A 27 9.713 2.687 0.606 1.00 0.00 C ATOM 427 C VAL A 27 10.734 2.484 -0.514 1.00 0.00 C ATOM 428 O VAL A 27 11.825 1.965 -0.282 1.00 0.00 O ATOM 429 CB VAL A 27 8.823 1.423 0.766 1.00 0.00 C ATOM 430 CG1 VAL A 27 8.176 1.011 -0.548 1.00 0.00 C ATOM 431 CG2 VAL A 27 9.624 0.272 1.355 1.00 0.00 C ATOM 0 H VAL A 27 7.952 3.726 0.129 1.00 0.00 H new ATOM 0 HA VAL A 27 10.235 2.828 1.552 1.00 0.00 H new ATOM 0 HB VAL A 27 8.019 1.678 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.563 0.124 -0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.549 1.824 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.951 0.790 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.982 -0.603 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.458 0.034 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.007 0.559 2.334 1.00 0.00 H new ATOM 441 N ALA A 28 10.388 2.927 -1.724 1.00 0.00 N ATOM 442 CA ALA A 28 11.316 2.874 -2.848 1.00 0.00 C ATOM 443 C ALA A 28 12.537 3.750 -2.572 1.00 0.00 C ATOM 444 O ALA A 28 13.677 3.356 -2.840 1.00 0.00 O ATOM 445 CB ALA A 28 10.627 3.308 -4.132 1.00 0.00 C ATOM 0 H ALA A 28 9.475 3.324 -1.947 1.00 0.00 H new ATOM 0 HA ALA A 28 11.650 1.844 -2.971 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.336 3.262 -4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.787 2.644 -4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.264 4.330 -4.022 1.00 0.00 H new ATOM 451 N ARG A 29 12.294 4.939 -2.031 1.00 0.00 N ATOM 452 CA ARG A 29 13.374 5.844 -1.649 1.00 0.00 C ATOM 453 C ARG A 29 14.198 5.241 -0.515 1.00 0.00 C ATOM 454 O ARG A 29 15.428 5.291 -0.529 1.00 0.00 O ATOM 455 CB ARG A 29 12.820 7.207 -1.215 1.00 0.00 C ATOM 456 CG ARG A 29 12.685 8.227 -2.340 1.00 0.00 C ATOM 457 CD ARG A 29 11.829 7.713 -3.485 1.00 0.00 C ATOM 458 NE ARG A 29 11.458 8.781 -4.415 1.00 0.00 N ATOM 459 CZ ARG A 29 11.239 8.598 -5.718 1.00 0.00 C ATOM 460 NH1 ARG A 29 11.457 7.413 -6.272 1.00 0.00 N ATOM 461 NH2 ARG A 29 10.827 9.615 -6.470 1.00 0.00 N ATOM 0 H ARG A 29 11.358 5.300 -1.847 1.00 0.00 H new ATOM 0 HA ARG A 29 14.013 5.988 -2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.841 7.058 -0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.471 7.620 -0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 29 12.247 9.144 -1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.676 8.483 -2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.372 6.936 -4.023 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.926 7.252 -3.084 1.00 0.00 H new ATOM 0 HE ARG A 29 11.361 9.726 -4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.793 6.637 -5.701 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.288 7.277 -7.269 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.679 10.533 -6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.659 9.477 -7.467 1.00 0.00 H new ATOM 475 N LEU A 30 13.508 4.653 0.455 1.00 0.00 N ATOM 476 CA LEU A 30 14.170 4.075 1.617 1.00 0.00 C ATOM 477 C LEU A 30 15.047 2.896 1.208 1.00 0.00 C ATOM 478 O LEU A 30 16.205 2.814 1.616 1.00 0.00 O ATOM 479 CB LEU A 30 13.134 3.646 2.666 1.00 0.00 C ATOM 480 CG LEU A 30 13.626 3.634 4.122 1.00 0.00 C ATOM 481 CD1 LEU A 30 12.443 3.566 5.073 1.00 0.00 C ATOM 482 CD2 LEU A 30 14.566 2.464 4.378 1.00 0.00 C ATOM 0 H LEU A 30 12.492 4.564 0.460 1.00 0.00 H new ATOM 0 HA LEU A 30 14.813 4.835 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.276 4.315 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.780 2.647 2.413 1.00 0.00 H new ATOM 0 HG LEU A 30 14.178 4.557 4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.803 3.558 6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.802 4.434 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.874 2.657 4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.897 2.483 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.044 1.528 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.432 2.542 3.720 1.00 0.00 H new ATOM 494 N LYS A 31 14.509 1.988 0.391 1.00 0.00 N ATOM 495 CA LYS A 31 15.281 0.827 -0.053 1.00 0.00 C ATOM 496 C LYS A 31 16.472 1.270 -0.897 1.00 0.00 C ATOM 497 O LYS A 31 17.531 0.640 -0.874 1.00 0.00 O ATOM 498 CB LYS A 31 14.419 -0.172 -0.841 1.00 0.00 C ATOM 499 CG LYS A 31 13.965 0.323 -2.206 1.00 0.00 C ATOM 500 CD LYS A 31 13.421 -0.810 -3.059 1.00 0.00 C ATOM 501 CE LYS A 31 13.029 -0.322 -4.443 1.00 0.00 C ATOM 502 NZ LYS A 31 12.639 -1.442 -5.341 1.00 0.00 N ATOM 0 H LYS A 31 13.557 2.032 0.028 1.00 0.00 H new ATOM 0 HA LYS A 31 15.642 0.318 0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.984 -1.095 -0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.539 -0.420 -0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.197 1.086 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.802 0.796 -2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 31 14.173 -1.594 -3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.554 -1.253 -2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.199 0.380 -4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.863 0.223 -4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.379 -1.064 -6.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.439 -2.099 -5.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.826 -1.947 -4.933 1.00 0.00 H new ATOM 516 N LYS A 32 16.298 2.357 -1.638 1.00 0.00 N ATOM 517 CA LYS A 32 17.387 2.934 -2.411 1.00 0.00 C ATOM 518 C LYS A 32 18.473 3.463 -1.474 1.00 0.00 C ATOM 519 O LYS A 32 19.667 3.240 -1.696 1.00 0.00 O ATOM 520 CB LYS A 32 16.863 4.069 -3.295 1.00 0.00 C ATOM 521 CG LYS A 32 17.933 4.722 -4.154 1.00 0.00 C ATOM 522 CD LYS A 32 17.390 5.936 -4.892 1.00 0.00 C ATOM 523 CE LYS A 32 18.453 6.574 -5.772 1.00 0.00 C ATOM 524 NZ LYS A 32 18.882 5.669 -6.867 1.00 0.00 N ATOM 0 H LYS A 32 15.412 2.856 -1.719 1.00 0.00 H new ATOM 0 HA LYS A 32 17.814 2.159 -3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 32 16.078 3.679 -3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.405 4.829 -2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 32 18.772 5.022 -3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 32 18.315 3.998 -4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 32 16.539 5.640 -5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.025 6.668 -4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.065 7.499 -6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 32 19.316 6.841 -5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.434 6.207 -7.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 19.469 4.905 -6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 18.044 5.260 -7.328 1.00 0.00 H new ATOM 538 N LEU A 33 18.044 4.147 -0.419 1.00 0.00 N ATOM 539 CA LEU A 33 18.958 4.741 0.543 1.00 0.00 C ATOM 540 C LEU A 33 19.713 3.665 1.325 1.00 0.00 C ATOM 541 O LEU A 33 20.928 3.745 1.472 1.00 0.00 O ATOM 542 CB LEU A 33 18.195 5.649 1.510 1.00 0.00 C ATOM 543 CG LEU A 33 19.062 6.397 2.526 1.00 0.00 C ATOM 544 CD1 LEU A 33 20.012 7.349 1.819 1.00 0.00 C ATOM 545 CD2 LEU A 33 18.189 7.152 3.516 1.00 0.00 C ATOM 0 H LEU A 33 17.058 4.303 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 33 19.685 5.336 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.632 6.380 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.468 5.045 2.052 1.00 0.00 H new ATOM 0 HG LEU A 33 19.655 5.667 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 33 20.620 7.872 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 33 20.661 6.785 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.438 8.075 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 33 18.821 7.678 4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.570 7.872 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.549 6.448 4.047 1.00 0.00 H new ATOM 557 N VAL A 34 18.989 2.659 1.812 1.00 0.00 N ATOM 558 CA VAL A 34 19.600 1.612 2.633 1.00 0.00 C ATOM 559 C VAL A 34 20.458 0.667 1.790 1.00 0.00 C ATOM 560 O VAL A 34 21.503 0.199 2.242 1.00 0.00 O ATOM 561 CB VAL A 34 18.538 0.794 3.420 1.00 0.00 C ATOM 562 CG1 VAL A 34 17.597 0.054 2.480 1.00 0.00 C ATOM 563 CG2 VAL A 34 19.209 -0.176 4.384 1.00 0.00 C ATOM 0 H VAL A 34 17.988 2.546 1.655 1.00 0.00 H new ATOM 0 HA VAL A 34 20.241 2.122 3.352 1.00 0.00 H new ATOM 0 HB VAL A 34 17.941 1.498 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 34 16.867 -0.508 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.078 0.772 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.170 -0.633 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 34 18.447 -0.738 4.924 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.841 -0.866 3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 34 19.820 0.381 5.094 1.00 0.00 H new ATOM 573 N GLY A 35 20.022 0.400 0.565 1.00 0.00 N ATOM 574 CA GLY A 35 20.749 -0.504 -0.303 1.00 0.00 C ATOM 575 C GLY A 35 22.001 0.128 -0.874 1.00 0.00 C ATOM 576 O GLY A 35 23.055 -0.510 -0.923 1.00 0.00 O ATOM 0 H GLY A 35 19.175 0.795 0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.020 -1.400 0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.100 -0.820 -1.119 1.00 0.00 H new ATOM 580 N GLU A 36 21.873 1.380 -1.313 1.00 0.00 N ATOM 581 CA GLU A 36 22.979 2.132 -1.899 1.00 0.00 C ATOM 582 C GLU A 36 23.503 1.471 -3.170 1.00 0.00 C ATOM 583 O GLU A 36 22.937 0.494 -3.669 1.00 0.00 O ATOM 584 CB GLU A 36 24.127 2.301 -0.893 1.00 0.00 C ATOM 585 CG GLU A 36 23.793 3.207 0.276 1.00 0.00 C ATOM 586 CD GLU A 36 24.958 3.371 1.227 1.00 0.00 C ATOM 587 OE1 GLU A 36 25.978 3.966 0.822 1.00 0.00 O ATOM 588 OE2 GLU A 36 24.858 2.913 2.387 1.00 0.00 O ATOM 0 H GLU A 36 20.997 1.901 -1.272 1.00 0.00 H new ATOM 0 HA GLU A 36 22.588 3.115 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 36 24.409 1.320 -0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 36 24.997 2.702 -1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 36 23.493 4.185 -0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 36 22.940 2.798 0.817 1.00 0.00 H new ATOM 655 N SER B 4 -22.914 -9.287 -4.903 1.00 0.00 N ATOM 656 CA SER B 4 -21.974 -8.731 -5.848 1.00 0.00 C ATOM 657 C SER B 4 -21.070 -7.737 -5.141 1.00 0.00 C ATOM 658 O SER B 4 -19.877 -7.968 -5.019 1.00 0.00 O ATOM 659 CB SER B 4 -22.728 -8.052 -6.992 1.00 0.00 C ATOM 660 OG SER B 4 -23.706 -8.925 -7.547 1.00 0.00 O ATOM 0 HA SER B 4 -21.360 -9.530 -6.264 1.00 0.00 H new ATOM 0 HB2 SER B 4 -23.210 -7.145 -6.627 1.00 0.00 H new ATOM 0 HB3 SER B 4 -22.024 -7.749 -7.767 1.00 0.00 H new ATOM 0 HG SER B 4 -23.982 -9.579 -6.871 1.00 0.00 H new ATOM 666 N SER B 5 -21.666 -6.665 -4.630 1.00 0.00 N ATOM 667 CA SER B 5 -20.936 -5.616 -3.957 1.00 0.00 C ATOM 668 C SER B 5 -20.168 -6.171 -2.774 1.00 0.00 C ATOM 669 O SER B 5 -18.995 -5.891 -2.632 1.00 0.00 O ATOM 670 CB SER B 5 -21.905 -4.519 -3.507 1.00 0.00 C ATOM 671 OG SER B 5 -23.073 -5.079 -2.926 1.00 0.00 O ATOM 0 H SER B 5 -22.673 -6.506 -4.675 1.00 0.00 H new ATOM 0 HA SER B 5 -20.215 -5.186 -4.652 1.00 0.00 H new ATOM 0 HB2 SER B 5 -21.412 -3.867 -2.786 1.00 0.00 H new ATOM 0 HB3 SER B 5 -22.180 -3.899 -4.360 1.00 0.00 H new ATOM 0 HG SER B 5 -23.676 -4.359 -2.645 1.00 0.00 H new ATOM 677 N LEU B 6 -20.838 -6.993 -1.965 1.00 0.00 N ATOM 678 CA LEU B 6 -20.256 -7.568 -0.765 1.00 0.00 C ATOM 679 C LEU B 6 -18.907 -8.201 -1.063 1.00 0.00 C ATOM 680 O LEU B 6 -17.899 -7.790 -0.508 1.00 0.00 O ATOM 681 CB LEU B 6 -21.209 -8.611 -0.171 1.00 0.00 C ATOM 682 CG LEU B 6 -20.746 -9.262 1.135 1.00 0.00 C ATOM 683 CD1 LEU B 6 -20.624 -8.223 2.240 1.00 0.00 C ATOM 684 CD2 LEU B 6 -21.706 -10.368 1.544 1.00 0.00 C ATOM 0 H LEU B 6 -21.804 -7.276 -2.130 1.00 0.00 H new ATOM 0 HA LEU B 6 -20.102 -6.768 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -22.175 -8.137 0.003 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -21.367 -9.396 -0.911 1.00 0.00 H new ATOM 0 HG LEU B 6 -19.762 -9.701 0.971 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -20.294 -8.707 3.159 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -19.898 -7.465 1.948 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -21.593 -7.752 2.406 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -21.364 -10.821 2.474 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -22.702 -9.950 1.689 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -21.741 -11.127 0.762 1.00 0.00 H new ATOM 696 N GLU B 7 -18.897 -9.166 -1.972 1.00 0.00 N ATOM 697 CA GLU B 7 -17.699 -9.908 -2.284 1.00 0.00 C ATOM 698 C GLU B 7 -16.687 -9.017 -2.979 1.00 0.00 C ATOM 699 O GLU B 7 -15.540 -8.977 -2.579 1.00 0.00 O ATOM 700 CB GLU B 7 -18.029 -11.120 -3.153 1.00 0.00 C ATOM 701 CG GLU B 7 -16.832 -12.010 -3.441 1.00 0.00 C ATOM 702 CD GLU B 7 -17.190 -13.216 -4.285 1.00 0.00 C ATOM 703 OE1 GLU B 7 -17.244 -13.088 -5.525 1.00 0.00 O ATOM 704 OE2 GLU B 7 -17.411 -14.303 -3.714 1.00 0.00 O ATOM 0 H GLU B 7 -19.718 -9.450 -2.507 1.00 0.00 H new ATOM 0 HA GLU B 7 -17.263 -10.263 -1.350 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -18.799 -11.711 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -18.449 -10.775 -4.098 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -16.066 -11.428 -3.953 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -16.399 -12.346 -2.499 1.00 0.00 H new ATOM 711 N ALA B 8 -17.142 -8.281 -3.991 1.00 0.00 N ATOM 712 CA ALA B 8 -16.275 -7.444 -4.799 1.00 0.00 C ATOM 713 C ALA B 8 -15.472 -6.493 -3.937 1.00 0.00 C ATOM 714 O ALA B 8 -14.257 -6.458 -4.035 1.00 0.00 O ATOM 715 CB ALA B 8 -17.086 -6.672 -5.827 1.00 0.00 C ATOM 0 H ALA B 8 -18.123 -8.252 -4.269 1.00 0.00 H new ATOM 0 HA ALA B 8 -15.575 -8.095 -5.323 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -16.419 -6.050 -6.424 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -17.609 -7.372 -6.479 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -17.813 -6.040 -5.317 1.00 0.00 H new ATOM 721 N VAL B 9 -16.156 -5.756 -3.070 1.00 0.00 N ATOM 722 CA VAL B 9 -15.505 -4.778 -2.224 1.00 0.00 C ATOM 723 C VAL B 9 -14.572 -5.463 -1.245 1.00 0.00 C ATOM 724 O VAL B 9 -13.390 -5.159 -1.220 1.00 0.00 O ATOM 725 CB VAL B 9 -16.527 -3.913 -1.453 1.00 0.00 C ATOM 726 CG1 VAL B 9 -15.826 -2.930 -0.524 1.00 0.00 C ATOM 727 CG2 VAL B 9 -17.433 -3.168 -2.423 1.00 0.00 C ATOM 0 H VAL B 9 -17.165 -5.822 -2.938 1.00 0.00 H new ATOM 0 HA VAL B 9 -14.930 -4.119 -2.875 1.00 0.00 H new ATOM 0 HB VAL B 9 -17.137 -4.579 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -16.571 -2.335 0.005 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -15.221 -3.479 0.197 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -15.184 -2.271 -1.109 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -18.147 -2.564 -1.863 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -16.830 -2.521 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -17.972 -3.886 -3.042 1.00 0.00 H new ATOM 737 N ARG B 10 -15.102 -6.418 -0.479 1.00 0.00 N ATOM 738 CA ARG B 10 -14.341 -7.108 0.548 1.00 0.00 C ATOM 739 C ARG B 10 -13.060 -7.681 -0.027 1.00 0.00 C ATOM 740 O ARG B 10 -11.998 -7.478 0.528 1.00 0.00 O ATOM 741 CB ARG B 10 -15.178 -8.226 1.175 1.00 0.00 C ATOM 742 CG ARG B 10 -14.462 -8.988 2.282 1.00 0.00 C ATOM 743 CD ARG B 10 -14.134 -8.086 3.460 1.00 0.00 C ATOM 744 NE ARG B 10 -13.380 -8.785 4.499 1.00 0.00 N ATOM 745 CZ ARG B 10 -13.049 -8.244 5.671 1.00 0.00 C ATOM 746 NH1 ARG B 10 -13.424 -7.002 5.966 1.00 0.00 N ATOM 747 NH2 ARG B 10 -12.345 -8.946 6.551 1.00 0.00 N ATOM 0 H ARG B 10 -16.070 -6.730 -0.558 1.00 0.00 H new ATOM 0 HA ARG B 10 -14.083 -6.384 1.321 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -16.095 -7.797 1.578 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -15.470 -8.929 0.395 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -15.088 -9.815 2.619 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -13.543 -9.423 1.889 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -13.558 -7.229 3.110 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -15.059 -7.696 3.885 1.00 0.00 H new ATOM 0 HE ARG B 10 -13.089 -9.745 4.316 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -13.967 -6.460 5.294 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -13.168 -6.592 6.864 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -12.058 -9.899 6.330 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -12.092 -8.532 7.448 1.00 0.00 H new ATOM 761 N ARG B 11 -13.181 -8.357 -1.164 1.00 0.00 N ATOM 762 CA ARG B 11 -12.066 -8.997 -1.821 1.00 0.00 C ATOM 763 C ARG B 11 -10.958 -8.003 -2.103 1.00 0.00 C ATOM 764 O ARG B 11 -9.803 -8.298 -1.870 1.00 0.00 O ATOM 765 CB ARG B 11 -12.548 -9.644 -3.123 1.00 0.00 C ATOM 766 CG ARG B 11 -11.438 -10.153 -4.023 1.00 0.00 C ATOM 767 CD ARG B 11 -12.007 -10.783 -5.283 1.00 0.00 C ATOM 768 NE ARG B 11 -10.970 -11.084 -6.262 1.00 0.00 N ATOM 769 CZ ARG B 11 -11.051 -12.067 -7.152 1.00 0.00 C ATOM 770 NH1 ARG B 11 -12.094 -12.891 -7.149 1.00 0.00 N ATOM 771 NH2 ARG B 11 -10.080 -12.231 -8.036 1.00 0.00 N ATOM 0 H ARG B 11 -14.068 -8.473 -1.654 1.00 0.00 H new ATOM 0 HA ARG B 11 -11.662 -9.765 -1.162 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -13.209 -10.475 -2.877 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -13.142 -8.917 -3.677 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -10.775 -9.330 -4.291 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -10.836 -10.885 -3.486 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -12.536 -11.700 -5.022 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -12.739 -10.108 -5.727 1.00 0.00 H new ATOM 0 HE ARG B 11 -10.131 -10.504 -6.264 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -12.837 -12.770 -6.461 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -12.151 -13.644 -7.835 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -9.275 -11.605 -8.032 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -10.136 -12.984 -8.722 1.00 0.00 H new ATOM 785 N LYS B 12 -11.318 -6.814 -2.559 1.00 0.00 N ATOM 786 CA LYS B 12 -10.337 -5.853 -2.994 1.00 0.00 C ATOM 787 C LYS B 12 -9.724 -5.143 -1.802 1.00 0.00 C ATOM 788 O LYS B 12 -8.514 -5.073 -1.690 1.00 0.00 O ATOM 789 CB LYS B 12 -10.965 -4.838 -3.951 1.00 0.00 C ATOM 790 CG LYS B 12 -9.977 -4.257 -4.952 1.00 0.00 C ATOM 791 CD LYS B 12 -9.429 -5.345 -5.863 1.00 0.00 C ATOM 792 CE LYS B 12 -8.521 -4.787 -6.949 1.00 0.00 C ATOM 793 NZ LYS B 12 -7.285 -4.175 -6.396 1.00 0.00 N ATOM 0 H LYS B 12 -12.285 -6.498 -2.635 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.548 -6.386 -3.525 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -11.780 -5.317 -4.493 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -11.403 -4.026 -3.371 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -10.467 -3.489 -5.550 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -9.157 -3.773 -4.422 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -8.875 -6.070 -5.267 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -10.258 -5.880 -6.326 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -8.250 -5.587 -7.638 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -9.066 -4.040 -7.526 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -6.677 -3.855 -7.177 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -7.537 -3.362 -5.799 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -6.775 -4.879 -5.825 1.00 0.00 H new ATOM 807 N ILE B 13 -10.563 -4.665 -0.888 1.00 0.00 N ATOM 808 CA ILE B 13 -10.100 -3.846 0.209 1.00 0.00 C ATOM 809 C ILE B 13 -9.224 -4.640 1.156 1.00 0.00 C ATOM 810 O ILE B 13 -8.320 -4.086 1.742 1.00 0.00 O ATOM 811 CB ILE B 13 -11.263 -3.168 0.979 1.00 0.00 C ATOM 812 CG1 ILE B 13 -12.285 -4.187 1.513 1.00 0.00 C ATOM 813 CG2 ILE B 13 -11.952 -2.151 0.085 1.00 0.00 C ATOM 814 CD1 ILE B 13 -11.954 -4.751 2.880 1.00 0.00 C ATOM 0 H ILE B 13 -11.569 -4.836 -0.892 1.00 0.00 H new ATOM 0 HA ILE B 13 -9.501 -3.050 -0.233 1.00 0.00 H new ATOM 0 HB ILE B 13 -10.832 -2.664 1.844 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -13.265 -3.711 1.558 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -12.363 -5.011 0.803 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -12.768 -1.679 0.632 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -11.234 -1.391 -0.222 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -12.350 -2.652 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -12.727 -5.460 3.178 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -10.991 -5.260 2.840 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -11.906 -3.940 3.606 1.00 0.00 H new ATOM 826 N ARG B 14 -9.463 -5.943 1.272 1.00 0.00 N ATOM 827 CA ARG B 14 -8.692 -6.767 2.174 1.00 0.00 C ATOM 828 C ARG B 14 -7.280 -6.914 1.646 1.00 0.00 C ATOM 829 O ARG B 14 -6.350 -7.039 2.416 1.00 0.00 O ATOM 830 CB ARG B 14 -9.338 -8.141 2.373 1.00 0.00 C ATOM 831 CG ARG B 14 -9.322 -9.026 1.136 1.00 0.00 C ATOM 832 CD ARG B 14 -9.816 -10.427 1.447 1.00 0.00 C ATOM 833 NE ARG B 14 -9.070 -11.027 2.553 1.00 0.00 N ATOM 834 CZ ARG B 14 -8.229 -12.050 2.421 1.00 0.00 C ATOM 835 NH1 ARG B 14 -8.036 -12.611 1.234 1.00 0.00 N ATOM 836 NH2 ARG B 14 -7.575 -12.513 3.479 1.00 0.00 N ATOM 0 H ARG B 14 -10.184 -6.442 0.751 1.00 0.00 H new ATOM 0 HA ARG B 14 -8.665 -6.277 3.147 1.00 0.00 H new ATOM 0 HB2 ARG B 14 -8.822 -8.658 3.182 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -10.371 -8.001 2.692 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -9.948 -8.582 0.362 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -8.309 -9.077 0.737 1.00 0.00 H new ATOM 0 HD2 ARG B 14 -10.876 -10.392 1.699 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -9.719 -11.053 0.560 1.00 0.00 H new ATOM 0 HE ARG B 14 -9.203 -10.636 3.486 1.00 0.00 H new ATOM 0 HH11 ARG B 14 -8.534 -12.258 0.416 1.00 0.00 H new ATOM 0 HH12 ARG B 14 -7.390 -13.395 1.139 1.00 0.00 H new ATOM 0 HH21 ARG B 14 -7.717 -12.085 4.394 1.00 0.00 H new ATOM 0 HH22 ARG B 14 -6.931 -13.297 3.377 1.00 0.00 H new ATOM 850 N SER B 15 -7.135 -6.847 0.328 1.00 0.00 N ATOM 851 CA SER B 15 -5.849 -6.957 -0.310 1.00 0.00 C ATOM 852 C SER B 15 -5.056 -5.694 -0.047 1.00 0.00 C ATOM 853 O SER B 15 -3.868 -5.760 0.200 1.00 0.00 O ATOM 854 CB SER B 15 -6.029 -7.190 -1.813 1.00 0.00 C ATOM 855 OG SER B 15 -4.784 -7.311 -2.475 1.00 0.00 O ATOM 0 H SER B 15 -7.912 -6.715 -0.320 1.00 0.00 H new ATOM 0 HA SER B 15 -5.303 -7.807 0.099 1.00 0.00 H new ATOM 0 HB2 SER B 15 -6.616 -8.094 -1.974 1.00 0.00 H new ATOM 0 HB3 SER B 15 -6.592 -6.363 -2.245 1.00 0.00 H new ATOM 0 HG SER B 15 -4.935 -7.460 -3.432 1.00 0.00 H new ATOM 861 N LEU B 16 -5.736 -4.550 -0.070 1.00 0.00 N ATOM 862 CA LEU B 16 -5.108 -3.276 0.208 1.00 0.00 C ATOM 863 C LEU B 16 -4.546 -3.284 1.614 1.00 0.00 C ATOM 864 O LEU B 16 -3.414 -2.892 1.827 1.00 0.00 O ATOM 865 CB LEU B 16 -6.116 -2.134 0.048 1.00 0.00 C ATOM 866 CG LEU B 16 -6.731 -1.998 -1.347 1.00 0.00 C ATOM 867 CD1 LEU B 16 -7.752 -0.872 -1.366 1.00 0.00 C ATOM 868 CD2 LEU B 16 -5.648 -1.753 -2.389 1.00 0.00 C ATOM 0 H LEU B 16 -6.732 -4.488 -0.281 1.00 0.00 H new ATOM 0 HA LEU B 16 -4.297 -3.119 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -6.920 -2.277 0.770 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -5.622 -1.196 0.303 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.238 -2.931 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -8.181 -0.787 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -8.543 -1.086 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -7.264 0.066 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.105 -1.659 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -5.113 -0.834 -2.148 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -4.950 -2.590 -2.392 1.00 0.00 H new ATOM 880 N GLN B 17 -5.344 -3.777 2.557 1.00 0.00 N ATOM 881 CA GLN B 17 -4.937 -3.881 3.940 1.00 0.00 C ATOM 882 C GLN B 17 -3.695 -4.736 4.059 1.00 0.00 C ATOM 883 O GLN B 17 -2.788 -4.388 4.785 1.00 0.00 O ATOM 884 CB GLN B 17 -6.066 -4.464 4.791 1.00 0.00 C ATOM 885 CG GLN B 17 -7.272 -3.550 4.906 1.00 0.00 C ATOM 886 CD GLN B 17 -8.407 -4.173 5.691 1.00 0.00 C ATOM 887 OE1 GLN B 17 -8.187 -5.003 6.575 1.00 0.00 O ATOM 888 NE2 GLN B 17 -9.627 -3.771 5.383 1.00 0.00 N ATOM 0 H GLN B 17 -6.290 -4.114 2.376 1.00 0.00 H new ATOM 0 HA GLN B 17 -4.710 -2.881 4.308 1.00 0.00 H new ATOM 0 HB2 GLN B 17 -6.381 -5.415 4.361 1.00 0.00 H new ATOM 0 HB3 GLN B 17 -5.685 -4.677 5.790 1.00 0.00 H new ATOM 0 HG2 GLN B 17 -6.972 -2.619 5.387 1.00 0.00 H new ATOM 0 HG3 GLN B 17 -7.625 -3.294 3.907 1.00 0.00 H new ATOM 0 HE21 GLN B 17 -9.765 -3.082 4.644 1.00 0.00 H new ATOM 0 HE22 GLN B 17 -10.431 -4.150 5.884 1.00 0.00 H new ATOM 897 N GLU B 18 -3.659 -5.835 3.308 1.00 0.00 N ATOM 898 CA GLU B 18 -2.533 -6.747 3.324 1.00 0.00 C ATOM 899 C GLU B 18 -1.279 -5.998 2.905 1.00 0.00 C ATOM 900 O GLU B 18 -0.302 -5.988 3.630 1.00 0.00 O ATOM 901 CB GLU B 18 -2.806 -7.930 2.384 1.00 0.00 C ATOM 902 CG GLU B 18 -1.938 -9.161 2.633 1.00 0.00 C ATOM 903 CD GLU B 18 -0.486 -8.981 2.232 1.00 0.00 C ATOM 904 OE1 GLU B 18 -0.226 -8.504 1.109 1.00 0.00 O ATOM 905 OE2 GLU B 18 0.404 -9.334 3.037 1.00 0.00 O ATOM 0 H GLU B 18 -4.410 -6.112 2.676 1.00 0.00 H new ATOM 0 HA GLU B 18 -2.388 -7.141 4.330 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -3.853 -8.217 2.479 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -2.657 -7.600 1.356 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -1.983 -9.417 3.691 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -2.355 -10.005 2.083 1.00 0.00 H new ATOM 912 N GLN B 19 -1.349 -5.336 1.753 1.00 0.00 N ATOM 913 CA GLN B 19 -0.234 -4.583 1.222 1.00 0.00 C ATOM 914 C GLN B 19 0.230 -3.543 2.228 1.00 0.00 C ATOM 915 O GLN B 19 1.407 -3.461 2.516 1.00 0.00 O ATOM 916 CB GLN B 19 -0.634 -3.921 -0.100 1.00 0.00 C ATOM 917 CG GLN B 19 0.455 -3.060 -0.715 1.00 0.00 C ATOM 918 CD GLN B 19 0.152 -2.674 -2.151 1.00 0.00 C ATOM 919 OE1 GLN B 19 0.544 -3.371 -3.087 1.00 0.00 O ATOM 920 NE2 GLN B 19 -0.552 -1.570 -2.343 1.00 0.00 N ATOM 0 H GLN B 19 -2.184 -5.311 1.167 1.00 0.00 H new ATOM 0 HA GLN B 19 0.596 -5.264 1.032 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -0.915 -4.697 -0.812 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -1.518 -3.306 0.067 1.00 0.00 H new ATOM 0 HG2 GLN B 19 0.579 -2.156 -0.118 1.00 0.00 H new ATOM 0 HG3 GLN B 19 1.402 -3.598 -0.679 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -0.861 -1.016 -1.544 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -0.786 -1.273 -3.290 1.00 0.00 H new ATOM 929 N ASN B 20 -0.716 -2.790 2.784 1.00 0.00 N ATOM 930 CA ASN B 20 -0.419 -1.762 3.769 1.00 0.00 C ATOM 931 C ASN B 20 0.336 -2.349 4.940 1.00 0.00 C ATOM 932 O ASN B 20 1.429 -1.906 5.249 1.00 0.00 O ATOM 933 CB ASN B 20 -1.712 -1.099 4.263 1.00 0.00 C ATOM 934 CG ASN B 20 -2.244 -0.046 3.305 1.00 0.00 C ATOM 935 OD1 ASN B 20 -1.893 -0.160 2.034 1.00 0.00 O flip ATOM 936 ND2 ASN B 20 -2.965 0.866 3.706 1.00 0.00 N flip ATOM 0 H ASN B 20 -1.708 -2.878 2.562 1.00 0.00 H new ATOM 0 HA ASN B 20 0.205 -1.006 3.291 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -2.473 -1.865 4.411 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -1.530 -0.639 5.234 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -3.215 0.922 4.693 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -3.313 1.566 3.051 1.00 0.00 H new ATOM 943 N TYR B 21 -0.244 -3.374 5.548 1.00 0.00 N ATOM 944 CA TYR B 21 0.334 -4.024 6.702 1.00 0.00 C ATOM 945 C TYR B 21 1.715 -4.549 6.375 1.00 0.00 C ATOM 946 O TYR B 21 2.660 -4.250 7.081 1.00 0.00 O ATOM 947 CB TYR B 21 -0.581 -5.167 7.155 1.00 0.00 C ATOM 948 CG TYR B 21 -0.054 -5.964 8.330 1.00 0.00 C ATOM 949 CD1 TYR B 21 -0.220 -5.511 9.631 1.00 0.00 C ATOM 950 CD2 TYR B 21 0.594 -7.179 8.134 1.00 0.00 C ATOM 951 CE1 TYR B 21 0.254 -6.242 10.705 1.00 0.00 C ATOM 952 CE2 TYR B 21 1.068 -7.912 9.203 1.00 0.00 C ATOM 953 CZ TYR B 21 0.893 -7.445 10.484 1.00 0.00 C ATOM 954 OH TYR B 21 1.363 -8.179 11.551 1.00 0.00 O ATOM 0 H TYR B 21 -1.133 -3.775 5.249 1.00 0.00 H new ATOM 0 HA TYR B 21 0.429 -3.300 7.511 1.00 0.00 H new ATOM 0 HB2 TYR B 21 -1.554 -4.754 7.420 1.00 0.00 H new ATOM 0 HB3 TYR B 21 -0.740 -5.843 6.315 1.00 0.00 H new ATOM 0 HD1 TYR B 21 -0.727 -4.574 9.807 1.00 0.00 H new ATOM 0 HD2 TYR B 21 0.728 -7.554 7.130 1.00 0.00 H new ATOM 0 HE1 TYR B 21 0.125 -5.873 11.712 1.00 0.00 H new ATOM 0 HE2 TYR B 21 1.575 -8.850 9.034 1.00 0.00 H new ATOM 0 HH TYR B 21 1.786 -9.000 11.223 1.00 0.00 H new ATOM 964 N HIS B 22 1.817 -5.295 5.280 1.00 0.00 N ATOM 965 CA HIS B 22 3.055 -5.935 4.883 1.00 0.00 C ATOM 966 C HIS B 22 4.146 -4.903 4.701 1.00 0.00 C ATOM 967 O HIS B 22 5.215 -5.046 5.261 1.00 0.00 O ATOM 968 CB HIS B 22 2.858 -6.715 3.585 1.00 0.00 C ATOM 969 CG HIS B 22 3.652 -7.977 3.517 1.00 0.00 C ATOM 970 ND1 HIS B 22 3.060 -9.216 3.449 1.00 0.00 N ATOM 971 CD2 HIS B 22 4.987 -8.198 3.505 1.00 0.00 C ATOM 972 CE1 HIS B 22 3.991 -10.146 3.401 1.00 0.00 C ATOM 973 NE2 HIS B 22 5.171 -9.555 3.429 1.00 0.00 N ATOM 0 H HIS B 22 1.038 -5.470 4.645 1.00 0.00 H new ATOM 0 HA HIS B 22 3.351 -6.628 5.670 1.00 0.00 H new ATOM 0 HB2 HIS B 22 1.801 -6.955 3.473 1.00 0.00 H new ATOM 0 HB3 HIS B 22 3.132 -6.078 2.744 1.00 0.00 H new ATOM 0 HD1 HIS B 22 2.055 -9.388 3.438 1.00 0.00 H new ATOM 0 HD2 HIS B 22 5.762 -7.447 3.547 1.00 0.00 H new ATOM 0 HE1 HIS B 22 3.819 -11.211 3.348 1.00 0.00 H new ATOM 982 N LEU B 23 3.853 -3.855 3.938 1.00 0.00 N ATOM 983 CA LEU B 23 4.821 -2.816 3.657 1.00 0.00 C ATOM 984 C LEU B 23 5.319 -2.190 4.940 1.00 0.00 C ATOM 985 O LEU B 23 6.512 -2.173 5.180 1.00 0.00 O ATOM 986 CB LEU B 23 4.222 -1.736 2.752 1.00 0.00 C ATOM 987 CG LEU B 23 3.917 -2.171 1.315 1.00 0.00 C ATOM 988 CD1 LEU B 23 3.301 -1.021 0.530 1.00 0.00 C ATOM 989 CD2 LEU B 23 5.183 -2.668 0.631 1.00 0.00 C ATOM 0 H LEU B 23 2.942 -3.708 3.502 1.00 0.00 H new ATOM 0 HA LEU B 23 5.661 -3.278 3.138 1.00 0.00 H new ATOM 0 HB2 LEU B 23 3.299 -1.376 3.207 1.00 0.00 H new ATOM 0 HB3 LEU B 23 4.911 -0.892 2.719 1.00 0.00 H new ATOM 0 HG LEU B 23 3.198 -2.990 1.346 1.00 0.00 H new ATOM 0 HD11 LEU B 23 3.091 -1.347 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU B 23 2.374 -0.709 1.010 1.00 0.00 H new ATOM 0 HD13 LEU B 23 3.997 -0.183 0.506 1.00 0.00 H new ATOM 0 HD21 LEU B 23 4.950 -2.973 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU B 23 5.923 -1.868 0.610 1.00 0.00 H new ATOM 0 HD23 LEU B 23 5.584 -3.519 1.182 1.00 0.00 H new ATOM 1001 N GLU B 24 4.395 -1.722 5.775 1.00 0.00 N ATOM 1002 CA GLU B 24 4.745 -1.009 6.984 1.00 0.00 C ATOM 1003 C GLU B 24 5.550 -1.900 7.912 1.00 0.00 C ATOM 1004 O GLU B 24 6.553 -1.469 8.446 1.00 0.00 O ATOM 1005 CB GLU B 24 3.490 -0.497 7.692 1.00 0.00 C ATOM 1006 CG GLU B 24 3.787 0.311 8.946 1.00 0.00 C ATOM 1007 CD GLU B 24 2.551 0.964 9.522 1.00 0.00 C ATOM 1008 OE1 GLU B 24 2.225 2.090 9.098 1.00 0.00 O ATOM 1009 OE2 GLU B 24 1.904 0.360 10.402 1.00 0.00 O ATOM 0 H GLU B 24 3.391 -1.829 5.628 1.00 0.00 H new ATOM 0 HA GLU B 24 5.358 -0.151 6.709 1.00 0.00 H new ATOM 0 HB2 GLU B 24 2.918 0.120 6.999 1.00 0.00 H new ATOM 0 HB3 GLU B 24 2.860 -1.346 7.957 1.00 0.00 H new ATOM 0 HG2 GLU B 24 4.233 -0.341 9.697 1.00 0.00 H new ATOM 0 HG3 GLU B 24 4.524 1.079 8.713 1.00 0.00 H new ATOM 1016 N ASN B 25 5.118 -3.146 8.059 1.00 0.00 N ATOM 1017 CA ASN B 25 5.784 -4.093 8.933 1.00 0.00 C ATOM 1018 C ASN B 25 7.218 -4.306 8.483 1.00 0.00 C ATOM 1019 O ASN B 25 8.136 -4.178 9.273 1.00 0.00 O ATOM 1020 CB ASN B 25 5.023 -5.425 8.956 1.00 0.00 C ATOM 1021 CG ASN B 25 5.656 -6.451 9.876 1.00 0.00 C ATOM 1022 OD1 ASN B 25 5.408 -6.460 11.085 1.00 0.00 O ATOM 1023 ND2 ASN B 25 6.449 -7.351 9.311 1.00 0.00 N ATOM 0 H ASN B 25 4.302 -3.523 7.578 1.00 0.00 H new ATOM 0 HA ASN B 25 5.796 -3.686 9.944 1.00 0.00 H new ATOM 0 HB2 ASN B 25 3.996 -5.245 9.273 1.00 0.00 H new ATOM 0 HB3 ASN B 25 4.978 -5.830 7.945 1.00 0.00 H new ATOM 0 HD21 ASN B 25 6.877 -8.082 9.879 1.00 0.00 H new ATOM 0 HD22 ASN B 25 6.631 -7.312 8.308 1.00 0.00 H new ATOM 1030 N GLU B 26 7.396 -4.575 7.199 1.00 0.00 N ATOM 1031 CA GLU B 26 8.698 -4.864 6.646 1.00 0.00 C ATOM 1032 C GLU B 26 9.572 -3.624 6.617 1.00 0.00 C ATOM 1033 O GLU B 26 10.737 -3.706 6.953 1.00 0.00 O ATOM 1034 CB GLU B 26 8.559 -5.462 5.246 1.00 0.00 C ATOM 1035 CG GLU B 26 8.633 -6.984 5.220 1.00 0.00 C ATOM 1036 CD GLU B 26 7.977 -7.636 6.424 1.00 0.00 C ATOM 1037 OE1 GLU B 26 6.733 -7.731 6.460 1.00 0.00 O ATOM 1038 OE2 GLU B 26 8.711 -8.069 7.339 1.00 0.00 O ATOM 0 H GLU B 26 6.639 -4.598 6.516 1.00 0.00 H new ATOM 0 HA GLU B 26 9.185 -5.596 7.291 1.00 0.00 H new ATOM 0 HB2 GLU B 26 7.608 -5.146 4.818 1.00 0.00 H new ATOM 0 HB3 GLU B 26 9.345 -5.058 4.608 1.00 0.00 H new ATOM 0 HG2 GLU B 26 8.154 -7.349 4.311 1.00 0.00 H new ATOM 0 HG3 GLU B 26 9.678 -7.290 5.174 1.00 0.00 H new ATOM 1045 N VAL B 27 9.009 -2.475 6.250 1.00 0.00 N ATOM 1046 CA VAL B 27 9.783 -1.256 6.160 1.00 0.00 C ATOM 1047 C VAL B 27 10.241 -0.838 7.545 1.00 0.00 C ATOM 1048 O VAL B 27 11.327 -0.315 7.691 1.00 0.00 O ATOM 1049 CB VAL B 27 9.004 -0.105 5.467 1.00 0.00 C ATOM 1050 CG1 VAL B 27 7.890 0.443 6.346 1.00 0.00 C ATOM 1051 CG2 VAL B 27 9.951 1.008 5.047 1.00 0.00 C ATOM 0 H VAL B 27 8.023 -2.370 6.012 1.00 0.00 H new ATOM 0 HA VAL B 27 10.652 -1.462 5.535 1.00 0.00 H new ATOM 0 HB VAL B 27 8.537 -0.523 4.576 1.00 0.00 H new ATOM 0 HG11 VAL B 27 7.373 1.246 5.820 1.00 0.00 H new ATOM 0 HG12 VAL B 27 7.183 -0.354 6.577 1.00 0.00 H new ATOM 0 HG13 VAL B 27 8.315 0.831 7.272 1.00 0.00 H new ATOM 0 HG21 VAL B 27 9.385 1.804 4.564 1.00 0.00 H new ATOM 0 HG22 VAL B 27 10.458 1.405 5.926 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.690 0.613 4.350 1.00 0.00 H new ATOM 1061 N ALA B 28 9.429 -1.121 8.563 1.00 0.00 N ATOM 1062 CA ALA B 28 9.791 -0.835 9.932 1.00 0.00 C ATOM 1063 C ALA B 28 11.004 -1.648 10.312 1.00 0.00 C ATOM 1064 O ALA B 28 11.946 -1.125 10.875 1.00 0.00 O ATOM 1065 CB ALA B 28 8.628 -1.129 10.870 1.00 0.00 C ATOM 0 H ALA B 28 8.511 -1.552 8.453 1.00 0.00 H new ATOM 0 HA ALA B 28 10.031 0.224 10.023 1.00 0.00 H new ATOM 0 HB1 ALA B 28 8.923 -0.907 11.896 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.774 -0.510 10.596 1.00 0.00 H new ATOM 0 HB3 ALA B 28 8.354 -2.181 10.791 1.00 0.00 H new ATOM 1071 N ARG B 29 10.979 -2.926 9.954 1.00 0.00 N ATOM 1072 CA ARG B 29 12.087 -3.821 10.194 1.00 0.00 C ATOM 1073 C ARG B 29 13.334 -3.266 9.533 1.00 0.00 C ATOM 1074 O ARG B 29 14.372 -3.164 10.156 1.00 0.00 O ATOM 1075 CB ARG B 29 11.773 -5.205 9.626 1.00 0.00 C ATOM 1076 CG ARG B 29 12.764 -6.279 10.040 1.00 0.00 C ATOM 1077 CD ARG B 29 12.595 -7.546 9.214 1.00 0.00 C ATOM 1078 NE ARG B 29 11.193 -7.958 9.101 1.00 0.00 N ATOM 1079 CZ ARG B 29 10.587 -8.791 9.943 1.00 0.00 C ATOM 1080 NH1 ARG B 29 11.236 -9.278 10.993 1.00 0.00 N ATOM 1081 NH2 ARG B 29 9.326 -9.133 9.723 1.00 0.00 N ATOM 0 H ARG B 29 10.185 -3.365 9.488 1.00 0.00 H new ATOM 0 HA ARG B 29 12.253 -3.909 11.268 1.00 0.00 H new ATOM 0 HB2 ARG B 29 10.775 -5.502 9.949 1.00 0.00 H new ATOM 0 HB3 ARG B 29 11.751 -5.144 8.538 1.00 0.00 H new ATOM 0 HG2 ARG B 29 13.780 -5.901 9.924 1.00 0.00 H new ATOM 0 HG3 ARG B 29 12.629 -6.512 11.096 1.00 0.00 H new ATOM 0 HD2 ARG B 29 13.004 -7.383 8.217 1.00 0.00 H new ATOM 0 HD3 ARG B 29 13.172 -8.352 9.668 1.00 0.00 H new ATOM 0 HE ARG B 29 10.646 -7.582 8.326 1.00 0.00 H new ATOM 0 HH11 ARG B 29 12.207 -9.014 11.160 1.00 0.00 H new ATOM 0 HH12 ARG B 29 10.764 -9.916 11.633 1.00 0.00 H new ATOM 0 HH21 ARG B 29 8.830 -8.758 8.915 1.00 0.00 H new ATOM 0 HH22 ARG B 29 8.852 -9.771 10.362 1.00 0.00 H new ATOM 1095 N LEU B 30 13.191 -2.875 8.271 1.00 0.00 N ATOM 1096 CA LEU B 30 14.293 -2.392 7.469 1.00 0.00 C ATOM 1097 C LEU B 30 14.901 -1.139 8.073 1.00 0.00 C ATOM 1098 O LEU B 30 16.099 -1.094 8.294 1.00 0.00 O ATOM 1099 CB LEU B 30 13.820 -2.116 6.038 1.00 0.00 C ATOM 1100 CG LEU B 30 14.901 -1.645 5.062 1.00 0.00 C ATOM 1101 CD1 LEU B 30 15.985 -2.703 4.911 1.00 0.00 C ATOM 1102 CD2 LEU B 30 14.285 -1.314 3.711 1.00 0.00 C ATOM 0 H LEU B 30 12.298 -2.887 7.779 1.00 0.00 H new ATOM 0 HA LEU B 30 15.063 -3.163 7.448 1.00 0.00 H new ATOM 0 HB2 LEU B 30 13.370 -3.026 5.642 1.00 0.00 H new ATOM 0 HB3 LEU B 30 13.034 -1.361 6.074 1.00 0.00 H new ATOM 0 HG LEU B 30 15.360 -0.742 5.464 1.00 0.00 H new ATOM 0 HD11 LEU B 30 16.744 -2.349 4.213 1.00 0.00 H new ATOM 0 HD12 LEU B 30 16.444 -2.894 5.881 1.00 0.00 H new ATOM 0 HD13 LEU B 30 15.544 -3.624 4.531 1.00 0.00 H new ATOM 0 HD21 LEU B 30 15.066 -0.980 3.027 1.00 0.00 H new ATOM 0 HD22 LEU B 30 13.801 -2.202 3.304 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.546 -0.522 3.832 1.00 0.00 H new ATOM 1114 N LYS B 31 14.064 -0.147 8.375 1.00 0.00 N ATOM 1115 CA LYS B 31 14.542 1.130 8.865 1.00 0.00 C ATOM 1116 C LYS B 31 15.212 0.954 10.214 1.00 0.00 C ATOM 1117 O LYS B 31 16.173 1.631 10.507 1.00 0.00 O ATOM 1118 CB LYS B 31 13.400 2.157 8.947 1.00 0.00 C ATOM 1119 CG LYS B 31 12.355 1.853 10.008 1.00 0.00 C ATOM 1120 CD LYS B 31 11.173 2.807 9.919 1.00 0.00 C ATOM 1121 CE LYS B 31 10.179 2.570 11.046 1.00 0.00 C ATOM 1122 NZ LYS B 31 8.957 3.406 10.906 1.00 0.00 N ATOM 0 H LYS B 31 13.050 -0.211 8.286 1.00 0.00 H new ATOM 0 HA LYS B 31 15.278 1.515 8.159 1.00 0.00 H new ATOM 0 HB2 LYS B 31 13.826 3.140 9.146 1.00 0.00 H new ATOM 0 HB3 LYS B 31 12.908 2.213 7.976 1.00 0.00 H new ATOM 0 HG2 LYS B 31 12.005 0.827 9.892 1.00 0.00 H new ATOM 0 HG3 LYS B 31 12.808 1.925 10.997 1.00 0.00 H new ATOM 0 HD2 LYS B 31 11.531 3.836 9.958 1.00 0.00 H new ATOM 0 HD3 LYS B 31 10.673 2.680 8.959 1.00 0.00 H new ATOM 0 HE2 LYS B 31 9.896 1.517 11.063 1.00 0.00 H new ATOM 0 HE3 LYS B 31 10.657 2.787 12.001 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 8.310 3.210 11.696 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 9.221 4.412 10.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 8.484 3.182 10.007 1.00 0.00 H new ATOM 1136 N LYS B 32 14.721 0.015 11.013 1.00 0.00 N ATOM 1137 CA LYS B 32 15.319 -0.268 12.312 1.00 0.00 C ATOM 1138 C LYS B 32 16.671 -0.954 12.136 1.00 0.00 C ATOM 1139 O LYS B 32 17.638 -0.623 12.824 1.00 0.00 O ATOM 1140 CB LYS B 32 14.388 -1.151 13.150 1.00 0.00 C ATOM 1141 CG LYS B 32 14.936 -1.496 14.529 1.00 0.00 C ATOM 1142 CD LYS B 32 15.082 -0.259 15.404 1.00 0.00 C ATOM 1143 CE LYS B 32 15.696 -0.595 16.754 1.00 0.00 C ATOM 1144 NZ LYS B 32 14.931 -1.655 17.464 1.00 0.00 N ATOM 0 H LYS B 32 13.912 -0.563 10.785 1.00 0.00 H new ATOM 0 HA LYS B 32 15.469 0.677 12.834 1.00 0.00 H new ATOM 0 HB2 LYS B 32 13.431 -0.643 13.267 1.00 0.00 H new ATOM 0 HB3 LYS B 32 14.194 -2.075 12.606 1.00 0.00 H new ATOM 0 HG2 LYS B 32 14.272 -2.210 15.016 1.00 0.00 H new ATOM 0 HG3 LYS B 32 15.905 -1.983 14.424 1.00 0.00 H new ATOM 0 HD2 LYS B 32 15.704 0.476 14.894 1.00 0.00 H new ATOM 0 HD3 LYS B 32 14.104 0.199 15.553 1.00 0.00 H new ATOM 0 HE2 LYS B 32 16.726 -0.924 16.613 1.00 0.00 H new ATOM 0 HE3 LYS B 32 15.730 0.303 17.371 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 15.264 -1.724 18.447 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 13.919 -1.416 17.458 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 15.074 -2.567 16.985 1.00 0.00 H new ATOM 1158 N LEU B 33 16.730 -1.893 11.198 1.00 0.00 N ATOM 1159 CA LEU B 33 17.937 -2.675 10.946 1.00 0.00 C ATOM 1160 C LEU B 33 19.107 -1.758 10.577 1.00 0.00 C ATOM 1161 O LEU B 33 20.186 -1.846 11.166 1.00 0.00 O ATOM 1162 CB LEU B 33 17.663 -3.692 9.820 1.00 0.00 C ATOM 1163 CG LEU B 33 18.664 -4.852 9.663 1.00 0.00 C ATOM 1164 CD1 LEU B 33 19.990 -4.380 9.077 1.00 0.00 C ATOM 1165 CD2 LEU B 33 18.889 -5.552 10.995 1.00 0.00 C ATOM 0 H LEU B 33 15.946 -2.134 10.592 1.00 0.00 H new ATOM 0 HA LEU B 33 18.210 -3.214 11.853 1.00 0.00 H new ATOM 0 HB2 LEU B 33 16.673 -4.119 9.983 1.00 0.00 H new ATOM 0 HB3 LEU B 33 17.624 -3.149 8.876 1.00 0.00 H new ATOM 0 HG LEU B 33 18.229 -5.564 8.962 1.00 0.00 H new ATOM 0 HD11 LEU B 33 20.668 -5.228 8.982 1.00 0.00 H new ATOM 0 HD12 LEU B 33 19.818 -3.941 8.094 1.00 0.00 H new ATOM 0 HD13 LEU B 33 20.433 -3.633 9.735 1.00 0.00 H new ATOM 0 HD21 LEU B 33 19.599 -6.368 10.862 1.00 0.00 H new ATOM 0 HD22 LEU B 33 19.286 -4.840 11.718 1.00 0.00 H new ATOM 0 HD23 LEU B 33 17.943 -5.951 11.361 1.00 0.00 H new ATOM 1177 N VAL B 34 18.881 -0.869 9.616 1.00 0.00 N ATOM 1178 CA VAL B 34 19.942 0.011 9.128 1.00 0.00 C ATOM 1179 C VAL B 34 20.348 1.037 10.189 1.00 0.00 C ATOM 1180 O VAL B 34 21.489 1.504 10.210 1.00 0.00 O ATOM 1181 CB VAL B 34 19.526 0.730 7.822 1.00 0.00 C ATOM 1182 CG1 VAL B 34 18.329 1.637 8.048 1.00 0.00 C ATOM 1183 CG2 VAL B 34 20.693 1.515 7.238 1.00 0.00 C ATOM 0 H VAL B 34 17.978 -0.737 9.160 1.00 0.00 H new ATOM 0 HA VAL B 34 20.804 -0.619 8.911 1.00 0.00 H new ATOM 0 HB VAL B 34 19.234 -0.035 7.103 1.00 0.00 H new ATOM 0 HG11 VAL B 34 18.062 2.127 7.112 1.00 0.00 H new ATOM 0 HG12 VAL B 34 17.485 1.044 8.401 1.00 0.00 H new ATOM 0 HG13 VAL B 34 18.580 2.391 8.794 1.00 0.00 H new ATOM 0 HG21 VAL B 34 20.375 2.011 6.321 1.00 0.00 H new ATOM 0 HG22 VAL B 34 21.026 2.262 7.958 1.00 0.00 H new ATOM 0 HG23 VAL B 34 21.515 0.834 7.016 1.00 0.00 H new ATOM 1193 N GLY B 35 19.421 1.367 11.080 1.00 0.00 N ATOM 1194 CA GLY B 35 19.704 2.342 12.115 1.00 0.00 C ATOM 1195 C GLY B 35 20.708 1.829 13.128 1.00 0.00 C ATOM 1196 O GLY B 35 21.471 2.603 13.707 1.00 0.00 O ATOM 0 H GLY B 35 18.479 0.977 11.104 1.00 0.00 H new ATOM 0 HA2 GLY B 35 20.087 3.254 11.657 1.00 0.00 H new ATOM 0 HA3 GLY B 35 18.778 2.606 12.626 1.00 0.00 H new