USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot 34:sc= 0.257 USER MOD Single : A 8 GLN : amide:sc= 0.458 K(o=0.46,f=-0.052) USER MOD Single : A 15 GLN : amide:sc= 0.644 K(o=0.64,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc=-0.00506 X(o=-0.0051,f=0) USER MOD Single : A 29 TYR OH : rot 0:sc= 0 USER MOD Single : A 30 GLN : amide:sc=-0.00887 X(o=-0.0089,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -30:sc= 0.231 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0769) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 11:sc= 0.89 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 81 THR OG1 : rot 103:sc= 1.33 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 10.132 -6.480 1.038 1.00 0.00 N ATOM 83 CA THR A 6 9.767 -7.162 2.275 1.00 0.00 C ATOM 84 C THR A 6 10.874 -8.146 2.661 1.00 0.00 C ATOM 85 O THR A 6 11.807 -8.355 1.890 1.00 0.00 O ATOM 86 CB THR A 6 8.419 -7.868 2.072 1.00 0.00 C ATOM 87 OG1 THR A 6 7.475 -6.960 1.547 1.00 0.00 O ATOM 88 CG2 THR A 6 7.855 -8.421 3.376 1.00 0.00 C ATOM 0 HA THR A 6 9.660 -6.449 3.092 1.00 0.00 H new ATOM 0 HB THR A 6 8.599 -8.695 1.385 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.926 -6.328 0.949 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.901 -8.911 3.181 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.554 -9.143 3.798 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.706 -7.605 4.083 1.00 0.00 H new ATOM 96 N ASP A 7 10.774 -8.758 3.844 1.00 0.00 N ATOM 97 CA ASP A 7 11.774 -9.693 4.345 1.00 0.00 C ATOM 98 C ASP A 7 12.030 -10.847 3.368 1.00 0.00 C ATOM 99 O ASP A 7 13.049 -11.524 3.474 1.00 0.00 O ATOM 100 CB ASP A 7 11.319 -10.228 5.703 1.00 0.00 C ATOM 101 CG ASP A 7 10.006 -11.006 5.603 1.00 0.00 C ATOM 102 OD1 ASP A 7 10.058 -12.190 5.205 1.00 0.00 O ATOM 103 OD2 ASP A 7 8.958 -10.407 5.927 1.00 0.00 O ATOM 0 H ASP A 7 9.991 -8.615 4.482 1.00 0.00 H new ATOM 0 HA ASP A 7 12.719 -9.160 4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.093 -10.875 6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.196 -9.397 6.397 1.00 0.00 H new ATOM 108 N GLN A 8 11.118 -11.074 2.418 1.00 0.00 N ATOM 109 CA GLN A 8 11.300 -12.099 1.403 1.00 0.00 C ATOM 110 C GLN A 8 12.461 -11.728 0.484 1.00 0.00 C ATOM 111 O GLN A 8 13.379 -12.519 0.280 1.00 0.00 O ATOM 112 CB GLN A 8 10.003 -12.223 0.603 1.00 0.00 C ATOM 113 CG GLN A 8 10.144 -13.200 -0.565 1.00 0.00 C ATOM 114 CD GLN A 8 10.514 -14.603 -0.098 1.00 0.00 C ATOM 115 OE1 GLN A 8 9.642 -15.431 0.158 1.00 0.00 O ATOM 116 NE2 GLN A 8 11.809 -14.887 0.015 1.00 0.00 N ATOM 0 H GLN A 8 10.244 -10.555 2.336 1.00 0.00 H new ATOM 0 HA GLN A 8 11.535 -13.054 1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.201 -12.558 1.261 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.716 -11.243 0.223 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.207 -13.239 -1.120 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.907 -12.834 -1.253 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.508 -14.177 -0.205 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.103 -15.814 0.322 1.00 0.00 H new ATOM 125 N VAL A 9 12.414 -10.516 -0.069 1.00 0.00 N ATOM 126 CA VAL A 9 13.403 -10.047 -1.028 1.00 0.00 C ATOM 127 C VAL A 9 14.608 -9.444 -0.315 1.00 0.00 C ATOM 128 O VAL A 9 15.706 -9.440 -0.867 1.00 0.00 O ATOM 129 CB VAL A 9 12.739 -9.057 -1.991 1.00 0.00 C ATOM 130 CG1 VAL A 9 11.973 -7.978 -1.231 1.00 0.00 C ATOM 131 CG2 VAL A 9 13.771 -8.399 -2.907 1.00 0.00 C ATOM 0 H VAL A 9 11.685 -9.833 0.139 1.00 0.00 H new ATOM 0 HA VAL A 9 13.780 -10.888 -1.610 1.00 0.00 H new ATOM 0 HB VAL A 9 12.037 -9.626 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.513 -7.290 -1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.198 -8.443 -0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.660 -7.429 -0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.270 -7.702 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.501 -7.860 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.279 -9.165 -3.493 1.00 0.00 H new ATOM 141 N LEU A 10 14.431 -8.938 0.908 1.00 0.00 N ATOM 142 CA LEU A 10 15.543 -8.399 1.676 1.00 0.00 C ATOM 143 C LEU A 10 16.483 -9.518 2.113 1.00 0.00 C ATOM 144 O LEU A 10 17.674 -9.272 2.286 1.00 0.00 O ATOM 145 CB LEU A 10 15.002 -7.650 2.897 1.00 0.00 C ATOM 146 CG LEU A 10 14.917 -6.147 2.646 1.00 0.00 C ATOM 147 CD1 LEU A 10 14.053 -5.807 1.438 1.00 0.00 C ATOM 148 CD2 LEU A 10 14.336 -5.466 3.885 1.00 0.00 C ATOM 0 H LEU A 10 13.529 -8.893 1.382 1.00 0.00 H new ATOM 0 HA LEU A 10 16.107 -7.707 1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.013 -8.033 3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 10 15.647 -7.840 3.755 1.00 0.00 H new ATOM 0 HG LEU A 10 15.926 -5.789 2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.025 -4.726 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.474 -6.273 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.041 -6.179 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.272 -4.391 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.340 -5.861 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.981 -5.659 4.742 1.00 0.00 H new ATOM 160 N VAL A 11 15.975 -10.743 2.290 1.00 0.00 N ATOM 161 CA VAL A 11 16.843 -11.865 2.630 1.00 0.00 C ATOM 162 C VAL A 11 17.510 -12.404 1.369 1.00 0.00 C ATOM 163 O VAL A 11 18.613 -12.939 1.432 1.00 0.00 O ATOM 164 CB VAL A 11 16.065 -12.952 3.376 1.00 0.00 C ATOM 165 CG1 VAL A 11 16.914 -14.213 3.537 1.00 0.00 C ATOM 166 CG2 VAL A 11 15.714 -12.450 4.778 1.00 0.00 C ATOM 0 H VAL A 11 14.986 -10.976 2.205 1.00 0.00 H new ATOM 0 HA VAL A 11 17.627 -11.519 3.304 1.00 0.00 H new ATOM 0 HB VAL A 11 15.168 -13.181 2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.341 -14.972 4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 11 17.192 -14.592 2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 11 17.815 -13.975 4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.160 -13.221 5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.630 -12.219 5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.102 -11.552 4.700 1.00 0.00 H new ATOM 176 N GLU A 12 16.860 -12.265 0.211 1.00 0.00 N ATOM 177 CA GLU A 12 17.493 -12.651 -1.042 1.00 0.00 C ATOM 178 C GLU A 12 18.583 -11.650 -1.414 1.00 0.00 C ATOM 179 O GLU A 12 19.604 -12.032 -1.983 1.00 0.00 O ATOM 180 CB GLU A 12 16.445 -12.700 -2.152 1.00 0.00 C ATOM 181 CG GLU A 12 15.560 -13.936 -2.005 1.00 0.00 C ATOM 182 CD GLU A 12 14.547 -14.019 -3.144 1.00 0.00 C ATOM 183 OE1 GLU A 12 14.939 -14.498 -4.230 1.00 0.00 O ATOM 184 OE2 GLU A 12 13.385 -13.606 -2.922 1.00 0.00 O ATOM 0 H GLU A 12 15.914 -11.895 0.119 1.00 0.00 H new ATOM 0 HA GLU A 12 17.944 -13.636 -0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.830 -11.800 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.938 -12.713 -3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.179 -14.833 -1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.037 -13.902 -1.049 1.00 0.00 H new ATOM 191 N ARG A 13 18.368 -10.372 -1.096 1.00 0.00 N ATOM 192 CA ARG A 13 19.286 -9.306 -1.464 1.00 0.00 C ATOM 193 C ARG A 13 20.598 -9.414 -0.691 1.00 0.00 C ATOM 194 O ARG A 13 21.664 -9.189 -1.258 1.00 0.00 O ATOM 195 CB ARG A 13 18.562 -7.971 -1.241 1.00 0.00 C ATOM 196 CG ARG A 13 19.381 -6.775 -1.722 1.00 0.00 C ATOM 197 CD ARG A 13 18.466 -5.583 -2.029 1.00 0.00 C ATOM 198 NE ARG A 13 17.771 -5.081 -0.838 1.00 0.00 N ATOM 199 CZ ARG A 13 17.146 -3.900 -0.778 1.00 0.00 C ATOM 200 NH1 ARG A 13 17.107 -3.092 -1.831 1.00 0.00 N ATOM 201 NH2 ARG A 13 16.550 -3.506 0.345 1.00 0.00 N ATOM 0 H ARG A 13 17.551 -10.053 -0.576 1.00 0.00 H new ATOM 0 HA ARG A 13 19.569 -9.382 -2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.606 -7.987 -1.765 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.342 -7.853 -0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.108 -6.495 -0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.944 -7.048 -2.615 1.00 0.00 H new ATOM 0 HD2 ARG A 13 19.058 -4.779 -2.465 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.730 -5.878 -2.777 1.00 0.00 H new ATOM 0 HE ARG A 13 17.764 -5.669 -0.005 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.558 -3.369 -2.703 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.626 -2.195 -1.768 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.567 -4.106 1.169 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.076 -2.604 0.381 1.00 0.00 H new ATOM 215 N VAL A 14 20.533 -9.761 0.595 1.00 0.00 N ATOM 216 CA VAL A 14 21.736 -9.927 1.409 1.00 0.00 C ATOM 217 C VAL A 14 22.480 -11.204 1.033 1.00 0.00 C ATOM 218 O VAL A 14 23.685 -11.297 1.255 1.00 0.00 O ATOM 219 CB VAL A 14 21.384 -9.922 2.896 1.00 0.00 C ATOM 220 CG1 VAL A 14 20.709 -8.608 3.270 1.00 0.00 C ATOM 221 CG2 VAL A 14 20.455 -11.068 3.275 1.00 0.00 C ATOM 0 H VAL A 14 19.660 -9.932 1.094 1.00 0.00 H new ATOM 0 HA VAL A 14 22.398 -9.084 1.210 1.00 0.00 H new ATOM 0 HB VAL A 14 22.320 -10.043 3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.462 -8.615 4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.385 -7.779 3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.796 -8.489 2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.235 -11.020 4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.527 -10.987 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.937 -12.018 3.046 1.00 0.00 H new ATOM 231 N GLN A 15 21.780 -12.191 0.461 1.00 0.00 N ATOM 232 CA GLN A 15 22.413 -13.410 -0.024 1.00 0.00 C ATOM 233 C GLN A 15 23.081 -13.159 -1.377 1.00 0.00 C ATOM 234 O GLN A 15 23.967 -13.914 -1.777 1.00 0.00 O ATOM 235 CB GLN A 15 21.368 -14.521 -0.126 1.00 0.00 C ATOM 236 CG GLN A 15 20.922 -14.995 1.260 1.00 0.00 C ATOM 237 CD GLN A 15 19.814 -16.041 1.164 1.00 0.00 C ATOM 238 OE1 GLN A 15 19.276 -16.297 0.090 1.00 0.00 O ATOM 239 NE2 GLN A 15 19.459 -16.659 2.284 1.00 0.00 N ATOM 0 H GLN A 15 20.770 -12.163 0.325 1.00 0.00 H new ATOM 0 HA GLN A 15 23.187 -13.721 0.678 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.504 -14.160 -0.685 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.781 -15.361 -0.685 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.775 -15.415 1.794 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.570 -14.143 1.841 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.922 -16.428 3.163 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.723 -17.365 2.266 1.00 0.00 H new ATOM 248 N LYS A 16 22.662 -12.103 -2.086 1.00 0.00 N ATOM 249 CA LYS A 16 23.280 -11.682 -3.334 1.00 0.00 C ATOM 250 C LYS A 16 24.541 -10.847 -3.091 1.00 0.00 C ATOM 251 O LYS A 16 25.238 -10.501 -4.043 1.00 0.00 O ATOM 252 CB LYS A 16 22.252 -10.905 -4.160 1.00 0.00 C ATOM 253 CG LYS A 16 22.050 -11.593 -5.507 1.00 0.00 C ATOM 254 CD LYS A 16 21.367 -12.956 -5.380 1.00 0.00 C ATOM 255 CE LYS A 16 19.885 -12.802 -5.029 1.00 0.00 C ATOM 256 NZ LYS A 16 19.217 -14.116 -4.955 1.00 0.00 N ATOM 0 H LYS A 16 21.877 -11.517 -1.801 1.00 0.00 H new ATOM 0 HA LYS A 16 23.597 -12.567 -3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.305 -10.851 -3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.592 -9.880 -4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.451 -10.950 -6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 16 23.017 -11.720 -5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 16 21.466 -13.504 -6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 16 21.866 -13.546 -4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.786 -12.286 -4.074 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.393 -12.182 -5.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.214 -13.982 -4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.293 -14.596 -5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 19.673 -14.697 -4.223 1.00 0.00 H new ATOM 270 N GLY A 17 24.835 -10.533 -1.825 1.00 0.00 N ATOM 271 CA GLY A 17 26.055 -9.834 -1.445 1.00 0.00 C ATOM 272 C GLY A 17 25.801 -8.387 -1.021 1.00 0.00 C ATOM 273 O GLY A 17 26.750 -7.679 -0.683 1.00 0.00 O ATOM 0 H GLY A 17 24.228 -10.760 -1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.535 -10.369 -0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 17 26.751 -9.845 -2.284 1.00 0.00 H new ATOM 277 N ASP A 18 24.540 -7.940 -1.036 1.00 0.00 N ATOM 278 CA ASP A 18 24.192 -6.591 -0.627 1.00 0.00 C ATOM 279 C ASP A 18 23.949 -6.563 0.877 1.00 0.00 C ATOM 280 O ASP A 18 22.808 -6.652 1.336 1.00 0.00 O ATOM 281 CB ASP A 18 22.962 -6.136 -1.417 1.00 0.00 C ATOM 282 CG ASP A 18 23.321 -5.812 -2.864 1.00 0.00 C ATOM 283 OD1 ASP A 18 24.022 -4.798 -3.069 1.00 0.00 O ATOM 284 OD2 ASP A 18 22.895 -6.581 -3.754 1.00 0.00 O ATOM 0 H ASP A 18 23.744 -8.505 -1.331 1.00 0.00 H new ATOM 0 HA ASP A 18 25.007 -5.899 -0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.203 -6.918 -1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.527 -5.256 -0.942 1.00 0.00 H new ATOM 289 N GLN A 19 25.033 -6.433 1.656 1.00 0.00 N ATOM 290 CA GLN A 19 24.957 -6.398 3.109 1.00 0.00 C ATOM 291 C GLN A 19 24.231 -5.139 3.579 1.00 0.00 C ATOM 292 O GLN A 19 23.728 -5.094 4.702 1.00 0.00 O ATOM 293 CB GLN A 19 26.381 -6.502 3.667 1.00 0.00 C ATOM 294 CG GLN A 19 26.416 -6.608 5.197 1.00 0.00 C ATOM 295 CD GLN A 19 26.350 -5.257 5.903 1.00 0.00 C ATOM 296 OE1 GLN A 19 26.479 -4.203 5.281 1.00 0.00 O ATOM 297 NE2 GLN A 19 26.147 -5.277 7.216 1.00 0.00 N ATOM 0 H GLN A 19 25.981 -6.350 1.290 1.00 0.00 H new ATOM 0 HA GLN A 19 24.375 -7.240 3.485 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.872 -7.375 3.236 1.00 0.00 H new ATOM 0 HB3 GLN A 19 26.953 -5.628 3.355 1.00 0.00 H new ATOM 0 HG2 GLN A 19 25.580 -7.224 5.530 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.330 -7.121 5.497 1.00 0.00 H new ATOM 0 HE21 GLN A 19 26.044 -6.167 7.703 1.00 0.00 H new ATOM 0 HE22 GLN A 19 26.094 -4.402 7.737 1.00 0.00 H new ATOM 306 N LYS A 20 24.166 -4.111 2.725 1.00 0.00 N ATOM 307 CA LYS A 20 23.455 -2.877 3.023 1.00 0.00 C ATOM 308 C LYS A 20 21.971 -3.149 3.261 1.00 0.00 C ATOM 309 O LYS A 20 21.309 -2.379 3.949 1.00 0.00 O ATOM 310 CB LYS A 20 23.651 -1.912 1.848 1.00 0.00 C ATOM 311 CG LYS A 20 22.987 -2.447 0.577 1.00 0.00 C ATOM 312 CD LYS A 20 23.314 -1.560 -0.621 1.00 0.00 C ATOM 313 CE LYS A 20 22.591 -2.090 -1.854 1.00 0.00 C ATOM 314 NZ LYS A 20 22.932 -1.305 -3.053 1.00 0.00 N ATOM 0 H LYS A 20 24.609 -4.118 1.806 1.00 0.00 H new ATOM 0 HA LYS A 20 23.852 -2.433 3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.230 -0.938 2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 20 24.716 -1.763 1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.327 -3.465 0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 20 21.907 -2.493 0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 20 23.010 -0.533 -0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 20 24.390 -1.546 -0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 20 22.857 -3.135 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 20 21.514 -2.057 -1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 22.425 -1.690 -3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 22.656 -0.313 -2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 23.957 -1.358 -3.223 1.00 0.00 H new ATOM 328 N ALA A 21 21.448 -4.243 2.697 1.00 0.00 N ATOM 329 CA ALA A 21 20.050 -4.599 2.876 1.00 0.00 C ATOM 330 C ALA A 21 19.835 -5.330 4.198 1.00 0.00 C ATOM 331 O ALA A 21 18.708 -5.396 4.677 1.00 0.00 O ATOM 332 CB ALA A 21 19.588 -5.446 1.694 1.00 0.00 C ATOM 0 H ALA A 21 21.977 -4.892 2.115 1.00 0.00 H new ATOM 0 HA ALA A 21 19.452 -3.688 2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.540 -5.714 1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.703 -4.877 0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.190 -6.353 1.639 1.00 0.00 H new ATOM 338 N PHE A 22 20.900 -5.877 4.796 1.00 0.00 N ATOM 339 CA PHE A 22 20.777 -6.531 6.084 1.00 0.00 C ATOM 340 C PHE A 22 20.670 -5.469 7.171 1.00 0.00 C ATOM 341 O PHE A 22 19.937 -5.640 8.139 1.00 0.00 O ATOM 342 CB PHE A 22 21.965 -7.459 6.337 1.00 0.00 C ATOM 343 CG PHE A 22 21.817 -8.250 7.619 1.00 0.00 C ATOM 344 CD1 PHE A 22 20.786 -9.196 7.738 1.00 0.00 C ATOM 345 CD2 PHE A 22 22.699 -8.038 8.689 1.00 0.00 C ATOM 346 CE1 PHE A 22 20.640 -9.929 8.924 1.00 0.00 C ATOM 347 CE2 PHE A 22 22.545 -8.762 9.879 1.00 0.00 C ATOM 348 CZ PHE A 22 21.518 -9.710 9.995 1.00 0.00 C ATOM 0 H PHE A 22 21.843 -5.875 4.406 1.00 0.00 H new ATOM 0 HA PHE A 22 19.877 -7.146 6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.070 -8.148 5.499 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.880 -6.869 6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.105 -9.359 6.915 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.497 -7.316 8.596 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.852 -10.662 9.013 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.217 -8.590 10.707 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.403 -10.272 10.910 1.00 0.00 H new ATOM 358 N ASN A 23 21.399 -4.360 7.015 1.00 0.00 N ATOM 359 CA ASN A 23 21.341 -3.255 7.957 1.00 0.00 C ATOM 360 C ASN A 23 19.932 -2.666 7.983 1.00 0.00 C ATOM 361 O ASN A 23 19.414 -2.330 9.048 1.00 0.00 O ATOM 362 CB ASN A 23 22.357 -2.213 7.502 1.00 0.00 C ATOM 363 CG ASN A 23 22.131 -0.859 8.157 1.00 0.00 C ATOM 364 OD1 ASN A 23 22.515 -0.640 9.302 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.501 0.055 7.422 1.00 0.00 N ATOM 0 H ASN A 23 22.040 -4.210 6.236 1.00 0.00 H new ATOM 0 HA ASN A 23 21.576 -3.590 8.967 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.362 -2.563 7.736 1.00 0.00 H new ATOM 0 HB3 ASN A 23 22.301 -2.104 6.419 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.320 0.982 7.807 1.00 0.00 H new ATOM 0 HD22 ASN A 23 21.200 -0.172 6.474 1.00 0.00 H new ATOM 372 N LEU A 24 19.319 -2.548 6.803 1.00 0.00 N ATOM 373 CA LEU A 24 17.960 -2.049 6.676 1.00 0.00 C ATOM 374 C LEU A 24 16.937 -3.099 7.096 1.00 0.00 C ATOM 375 O LEU A 24 15.790 -2.761 7.381 1.00 0.00 O ATOM 376 CB LEU A 24 17.717 -1.619 5.226 1.00 0.00 C ATOM 377 CG LEU A 24 18.645 -0.482 4.798 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.456 -0.231 3.304 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.344 0.804 5.567 1.00 0.00 C ATOM 0 H LEU A 24 19.755 -2.797 5.915 1.00 0.00 H new ATOM 0 HA LEU A 24 17.840 -1.194 7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.864 -2.474 4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.680 -1.302 5.112 1.00 0.00 H new ATOM 0 HG LEU A 24 19.673 -0.772 5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.113 0.578 2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.701 -1.137 2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.420 0.045 3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.022 1.592 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.315 1.109 5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.481 0.630 6.634 1.00 0.00 H new ATOM 391 N LEU A 25 17.340 -4.372 7.135 1.00 0.00 N ATOM 392 CA LEU A 25 16.465 -5.454 7.561 1.00 0.00 C ATOM 393 C LEU A 25 16.454 -5.578 9.082 1.00 0.00 C ATOM 394 O LEU A 25 15.382 -5.672 9.677 1.00 0.00 O ATOM 395 CB LEU A 25 16.908 -6.750 6.874 1.00 0.00 C ATOM 396 CG LEU A 25 16.060 -7.968 7.261 1.00 0.00 C ATOM 397 CD1 LEU A 25 14.608 -7.809 6.822 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.646 -9.199 6.571 1.00 0.00 C ATOM 0 H LEU A 25 18.278 -4.675 6.873 1.00 0.00 H new ATOM 0 HA LEU A 25 15.438 -5.241 7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.862 -6.613 5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 25 17.950 -6.948 7.126 1.00 0.00 H new ATOM 0 HG LEU A 25 16.077 -8.070 8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.041 -8.693 7.115 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.178 -6.928 7.298 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.566 -7.693 5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.057 -10.078 6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.623 -9.056 5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.676 -9.343 6.896 1.00 0.00 H new ATOM 410 N VAL A 26 17.622 -5.583 9.733 1.00 0.00 N ATOM 411 CA VAL A 26 17.661 -5.802 11.173 1.00 0.00 C ATOM 412 C VAL A 26 17.040 -4.639 11.927 1.00 0.00 C ATOM 413 O VAL A 26 16.575 -4.846 13.041 1.00 0.00 O ATOM 414 CB VAL A 26 19.080 -6.049 11.693 1.00 0.00 C ATOM 415 CG1 VAL A 26 19.745 -7.226 10.983 1.00 0.00 C ATOM 416 CG2 VAL A 26 19.953 -4.801 11.578 1.00 0.00 C ATOM 0 H VAL A 26 18.531 -5.441 9.293 1.00 0.00 H new ATOM 0 HA VAL A 26 17.075 -6.703 11.355 1.00 0.00 H new ATOM 0 HB VAL A 26 18.983 -6.298 12.750 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.750 -7.369 11.380 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.158 -8.129 11.148 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.803 -7.021 9.914 1.00 0.00 H new ATOM 0 HG21 VAL A 26 20.951 -5.019 11.958 1.00 0.00 H new ATOM 0 HG22 VAL A 26 20.020 -4.499 10.533 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.511 -3.993 12.161 1.00 0.00 H new ATOM 426 N VAL A 27 17.014 -3.430 11.359 1.00 0.00 N ATOM 427 CA VAL A 27 16.458 -2.288 12.078 1.00 0.00 C ATOM 428 C VAL A 27 14.940 -2.417 12.205 1.00 0.00 C ATOM 429 O VAL A 27 14.354 -1.880 13.143 1.00 0.00 O ATOM 430 CB VAL A 27 16.895 -0.976 11.413 1.00 0.00 C ATOM 431 CG1 VAL A 27 16.330 -0.844 10.004 1.00 0.00 C ATOM 432 CG2 VAL A 27 16.458 0.228 12.247 1.00 0.00 C ATOM 0 H VAL A 27 17.364 -3.222 10.424 1.00 0.00 H new ATOM 0 HA VAL A 27 16.852 -2.274 13.094 1.00 0.00 H new ATOM 0 HB VAL A 27 17.983 -0.998 11.350 1.00 0.00 H new ATOM 0 HG11 VAL A 27 16.661 0.097 9.566 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.683 -1.673 9.391 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.241 -0.861 10.046 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.779 1.147 11.756 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.372 0.229 12.344 1.00 0.00 H new ATOM 0 HG23 VAL A 27 16.911 0.169 13.237 1.00 0.00 H new ATOM 442 N ARG A 28 14.293 -3.129 11.274 1.00 0.00 N ATOM 443 CA ARG A 28 12.859 -3.379 11.354 1.00 0.00 C ATOM 444 C ARG A 28 12.567 -4.314 12.521 1.00 0.00 C ATOM 445 O ARG A 28 11.526 -4.213 13.168 1.00 0.00 O ATOM 446 CB ARG A 28 12.372 -4.032 10.055 1.00 0.00 C ATOM 447 CG ARG A 28 12.890 -3.299 8.817 1.00 0.00 C ATOM 448 CD ARG A 28 12.385 -3.962 7.536 1.00 0.00 C ATOM 449 NE ARG A 28 10.951 -3.728 7.338 1.00 0.00 N ATOM 450 CZ ARG A 28 10.417 -3.176 6.245 1.00 0.00 C ATOM 451 NH1 ARG A 28 11.175 -2.790 5.223 1.00 0.00 N ATOM 452 NH2 ARG A 28 9.102 -3.000 6.161 1.00 0.00 N ATOM 0 H ARG A 28 14.746 -3.540 10.458 1.00 0.00 H new ATOM 0 HA ARG A 28 12.341 -2.431 11.503 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.701 -5.071 10.026 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.282 -4.042 10.041 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.566 -2.259 8.844 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.980 -3.294 8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.939 -3.574 6.681 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.577 -5.034 7.580 1.00 0.00 H new ATOM 0 HE ARG A 28 10.317 -4.006 8.087 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.187 -2.913 5.263 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.745 -2.371 4.399 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.499 -3.287 6.932 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.696 -2.578 5.326 1.00 0.00 H new ATOM 466 N TYR A 29 13.504 -5.224 12.784 1.00 0.00 N ATOM 467 CA TYR A 29 13.362 -6.215 13.838 1.00 0.00 C ATOM 468 C TYR A 29 14.113 -5.825 15.105 1.00 0.00 C ATOM 469 O TYR A 29 13.948 -6.478 16.128 1.00 0.00 O ATOM 470 CB TYR A 29 13.818 -7.568 13.305 1.00 0.00 C ATOM 471 CG TYR A 29 12.887 -8.102 12.240 1.00 0.00 C ATOM 472 CD1 TYR A 29 13.048 -7.713 10.902 1.00 0.00 C ATOM 473 CD2 TYR A 29 11.852 -8.975 12.595 1.00 0.00 C ATOM 474 CE1 TYR A 29 12.165 -8.178 9.919 1.00 0.00 C ATOM 475 CE2 TYR A 29 10.971 -9.457 11.618 1.00 0.00 C ATOM 476 CZ TYR A 29 11.121 -9.056 10.274 1.00 0.00 C ATOM 477 OH TYR A 29 10.260 -9.508 9.320 1.00 0.00 O ATOM 0 H TYR A 29 14.382 -5.291 12.269 1.00 0.00 H new ATOM 0 HA TYR A 29 12.312 -6.274 14.125 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.823 -7.475 12.894 1.00 0.00 H new ATOM 0 HB3 TYR A 29 13.874 -8.281 14.127 1.00 0.00 H new ATOM 0 HD1 TYR A 29 13.857 -7.052 10.628 1.00 0.00 H new ATOM 0 HD2 TYR A 29 11.732 -9.278 13.625 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.284 -7.865 8.892 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.177 -10.135 11.894 1.00 0.00 H new ATOM 0 HH TYR A 29 10.506 -9.128 8.451 1.00 0.00 H new ATOM 487 N GLN A 30 14.932 -4.771 15.059 1.00 0.00 N ATOM 488 CA GLN A 30 15.737 -4.348 16.194 1.00 0.00 C ATOM 489 C GLN A 30 14.844 -3.934 17.362 1.00 0.00 C ATOM 490 O GLN A 30 15.252 -4.030 18.517 1.00 0.00 O ATOM 491 CB GLN A 30 16.641 -3.207 15.735 1.00 0.00 C ATOM 492 CG GLN A 30 17.657 -2.800 16.801 1.00 0.00 C ATOM 493 CD GLN A 30 18.627 -1.770 16.238 1.00 0.00 C ATOM 494 OE1 GLN A 30 18.644 -0.620 16.669 1.00 0.00 O ATOM 495 NE2 GLN A 30 19.444 -2.178 15.268 1.00 0.00 N ATOM 0 H GLN A 30 15.051 -4.190 14.229 1.00 0.00 H new ATOM 0 HA GLN A 30 16.355 -5.172 16.552 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.169 -3.508 14.830 1.00 0.00 H new ATOM 0 HB3 GLN A 30 16.028 -2.344 15.474 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.140 -2.388 17.668 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.206 -3.677 17.144 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.400 -3.142 14.936 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.113 -1.527 14.857 1.00 0.00 H new ATOM 504 N HIS A 31 13.623 -3.479 17.062 1.00 0.00 N ATOM 505 CA HIS A 31 12.649 -3.161 18.094 1.00 0.00 C ATOM 506 C HIS A 31 11.862 -4.410 18.499 1.00 0.00 C ATOM 507 O HIS A 31 11.442 -4.530 19.649 1.00 0.00 O ATOM 508 CB HIS A 31 11.713 -2.076 17.566 1.00 0.00 C ATOM 509 CG HIS A 31 10.698 -1.628 18.586 1.00 0.00 C ATOM 510 ND1 HIS A 31 10.964 -0.811 19.686 1.00 0.00 N ATOM 511 CD2 HIS A 31 9.376 -1.963 18.578 1.00 0.00 C ATOM 512 CE1 HIS A 31 9.787 -0.677 20.322 1.00 0.00 C ATOM 513 NE2 HIS A 31 8.818 -1.355 19.679 1.00 0.00 N ATOM 0 H HIS A 31 13.292 -3.325 16.110 1.00 0.00 H new ATOM 0 HA HIS A 31 13.163 -2.797 18.983 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.304 -1.217 17.248 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.193 -2.450 16.684 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.869 -2.582 17.853 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.639 -0.104 21.225 1.00 0.00 H new ATOM 0 HE2 HIS A 31 7.839 -1.409 19.960 1.00 0.00 H new ATOM 521 N LYS A 32 11.664 -5.343 17.560 1.00 0.00 N ATOM 522 CA LYS A 32 10.872 -6.537 17.816 1.00 0.00 C ATOM 523 C LYS A 32 11.643 -7.570 18.637 1.00 0.00 C ATOM 524 O LYS A 32 11.078 -8.170 19.551 1.00 0.00 O ATOM 525 CB LYS A 32 10.433 -7.149 16.482 1.00 0.00 C ATOM 526 CG LYS A 32 9.599 -6.164 15.663 1.00 0.00 C ATOM 527 CD LYS A 32 9.170 -6.823 14.353 1.00 0.00 C ATOM 528 CE LYS A 32 8.347 -5.830 13.532 1.00 0.00 C ATOM 529 NZ LYS A 32 7.920 -6.426 12.250 1.00 0.00 N ATOM 0 H LYS A 32 12.045 -5.287 16.616 1.00 0.00 H new ATOM 0 HA LYS A 32 9.999 -6.245 18.400 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.312 -7.447 15.910 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.852 -8.053 16.668 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.722 -5.855 16.231 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.179 -5.264 15.457 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.047 -7.140 13.788 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.582 -7.718 14.558 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.471 -5.520 14.102 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.937 -4.934 13.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.363 -5.731 11.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.758 -6.700 11.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.338 -7.267 12.435 1.00 0.00 H new ATOM 543 N VAL A 33 12.926 -7.788 18.332 1.00 0.00 N ATOM 544 CA VAL A 33 13.702 -8.800 19.040 1.00 0.00 C ATOM 545 C VAL A 33 14.214 -8.261 20.369 1.00 0.00 C ATOM 546 O VAL A 33 14.461 -9.042 21.284 1.00 0.00 O ATOM 547 CB VAL A 33 14.848 -9.341 18.184 1.00 0.00 C ATOM 548 CG1 VAL A 33 14.331 -9.820 16.829 1.00 0.00 C ATOM 549 CG2 VAL A 33 15.961 -8.317 17.990 1.00 0.00 C ATOM 0 H VAL A 33 13.440 -7.283 17.610 1.00 0.00 H new ATOM 0 HA VAL A 33 13.035 -9.636 19.248 1.00 0.00 H new ATOM 0 HB VAL A 33 15.273 -10.187 18.724 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.163 -10.201 16.236 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.599 -10.613 16.979 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.862 -8.988 16.304 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.751 -8.750 17.376 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.560 -7.433 17.495 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.370 -8.036 18.961 1.00 0.00 H new ATOM 559 N ALA A 34 14.376 -6.939 20.492 1.00 0.00 N ATOM 560 CA ALA A 34 14.796 -6.361 21.761 1.00 0.00 C ATOM 561 C ALA A 34 13.666 -6.457 22.783 1.00 0.00 C ATOM 562 O ALA A 34 13.911 -6.429 23.988 1.00 0.00 O ATOM 563 CB ALA A 34 15.223 -4.908 21.553 1.00 0.00 C ATOM 0 H ALA A 34 14.225 -6.265 19.741 1.00 0.00 H new ATOM 0 HA ALA A 34 15.649 -6.920 22.146 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.536 -4.481 22.506 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.053 -4.870 20.848 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.384 -4.335 21.157 1.00 0.00 H new ATOM 569 N SER A 35 12.422 -6.571 22.309 1.00 0.00 N ATOM 570 CA SER A 35 11.271 -6.681 23.189 1.00 0.00 C ATOM 571 C SER A 35 11.181 -8.088 23.770 1.00 0.00 C ATOM 572 O SER A 35 10.922 -8.256 24.961 1.00 0.00 O ATOM 573 CB SER A 35 10.009 -6.353 22.395 1.00 0.00 C ATOM 574 OG SER A 35 8.888 -6.343 23.256 1.00 0.00 O ATOM 0 H SER A 35 12.193 -6.589 21.315 1.00 0.00 H new ATOM 0 HA SER A 35 11.375 -5.979 24.016 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.115 -5.382 21.911 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.865 -7.089 21.604 1.00 0.00 H new ATOM 0 HG SER A 35 8.082 -6.130 22.741 1.00 0.00 H new ATOM 580 N LEU A 36 11.395 -9.106 22.931 1.00 0.00 N ATOM 581 CA LEU A 36 11.285 -10.487 23.377 1.00 0.00 C ATOM 582 C LEU A 36 12.548 -10.960 24.092 1.00 0.00 C ATOM 583 O LEU A 36 12.475 -11.876 24.907 1.00 0.00 O ATOM 584 CB LEU A 36 10.899 -11.383 22.195 1.00 0.00 C ATOM 585 CG LEU A 36 11.985 -11.521 21.122 1.00 0.00 C ATOM 586 CD1 LEU A 36 13.006 -12.613 21.439 1.00 0.00 C ATOM 587 CD2 LEU A 36 11.327 -11.897 19.795 1.00 0.00 C ATOM 0 H LEU A 36 11.643 -8.996 21.948 1.00 0.00 H new ATOM 0 HA LEU A 36 10.491 -10.553 24.120 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.651 -12.375 22.573 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.997 -10.984 21.732 1.00 0.00 H new ATOM 0 HG LEU A 36 12.503 -10.563 21.079 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.748 -12.660 20.642 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.502 -12.385 22.383 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.498 -13.574 21.519 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.092 -11.997 19.025 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.798 -12.843 19.907 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.621 -11.119 19.506 1.00 0.00 H new ATOM 599 N VAL A 37 13.703 -10.353 23.798 1.00 0.00 N ATOM 600 CA VAL A 37 14.954 -10.775 24.420 1.00 0.00 C ATOM 601 C VAL A 37 15.180 -10.058 25.749 1.00 0.00 C ATOM 602 O VAL A 37 15.973 -10.518 26.565 1.00 0.00 O ATOM 603 CB VAL A 37 16.115 -10.618 23.432 1.00 0.00 C ATOM 604 CG1 VAL A 37 16.623 -9.183 23.355 1.00 0.00 C ATOM 605 CG2 VAL A 37 17.278 -11.516 23.837 1.00 0.00 C ATOM 0 H VAL A 37 13.794 -9.578 23.141 1.00 0.00 H new ATOM 0 HA VAL A 37 14.894 -11.835 24.667 1.00 0.00 H new ATOM 0 HB VAL A 37 15.729 -10.902 22.453 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.445 -9.126 22.641 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.815 -8.528 23.031 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.973 -8.868 24.338 1.00 0.00 H new ATOM 0 HG21 VAL A 37 18.096 -11.395 23.127 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.620 -11.241 24.835 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.951 -12.556 23.840 1.00 0.00 H new ATOM 615 N SER A 38 14.487 -8.936 25.983 1.00 0.00 N ATOM 616 CA SER A 38 14.540 -8.251 27.272 1.00 0.00 C ATOM 617 C SER A 38 13.861 -9.107 28.348 1.00 0.00 C ATOM 618 O SER A 38 13.943 -8.807 29.537 1.00 0.00 O ATOM 619 CB SER A 38 13.874 -6.877 27.147 1.00 0.00 C ATOM 620 OG SER A 38 14.006 -6.151 28.350 1.00 0.00 O ATOM 0 H SER A 38 13.884 -8.487 25.294 1.00 0.00 H new ATOM 0 HA SER A 38 15.578 -8.103 27.570 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.328 -6.320 26.328 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.819 -6.999 26.903 1.00 0.00 H new ATOM 0 HG SER A 38 14.042 -6.774 29.106 1.00 0.00 H new ATOM 626 N ARG A 39 13.186 -10.184 27.923 1.00 0.00 N ATOM 627 CA ARG A 39 12.556 -11.147 28.817 1.00 0.00 C ATOM 628 C ARG A 39 13.509 -12.292 29.169 1.00 0.00 C ATOM 629 O ARG A 39 13.149 -13.154 29.970 1.00 0.00 O ATOM 630 CB ARG A 39 11.272 -11.680 28.182 1.00 0.00 C ATOM 631 CG ARG A 39 10.280 -10.550 27.902 1.00 0.00 C ATOM 632 CD ARG A 39 9.011 -11.106 27.256 1.00 0.00 C ATOM 633 NE ARG A 39 8.296 -12.006 28.167 1.00 0.00 N ATOM 634 CZ ARG A 39 7.228 -12.731 27.818 1.00 0.00 C ATOM 635 NH1 ARG A 39 6.735 -12.665 26.584 1.00 0.00 N ATOM 636 NH2 ARG A 39 6.645 -13.528 28.708 1.00 0.00 N ATOM 0 H ARG A 39 13.065 -10.408 26.935 1.00 0.00 H new ATOM 0 HA ARG A 39 12.306 -10.639 29.748 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.511 -12.196 27.252 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.813 -12.414 28.845 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.029 -10.039 28.831 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.737 -9.810 27.244 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.357 -10.283 26.968 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.271 -11.641 26.343 1.00 0.00 H new ATOM 0 HE ARG A 39 8.634 -12.084 29.126 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.172 -12.056 25.892 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.920 -13.223 26.330 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.012 -13.587 29.658 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.830 -14.081 28.441 1.00 0.00 H new ATOM 650 N TYR A 40 14.709 -12.312 28.580 1.00 0.00 N ATOM 651 CA TYR A 40 15.696 -13.357 28.834 1.00 0.00 C ATOM 652 C TYR A 40 17.008 -12.781 29.376 1.00 0.00 C ATOM 653 O TYR A 40 17.832 -13.533 29.890 1.00 0.00 O ATOM 654 CB TYR A 40 15.937 -14.160 27.555 1.00 0.00 C ATOM 655 CG TYR A 40 14.717 -14.917 27.075 1.00 0.00 C ATOM 656 CD1 TYR A 40 14.367 -16.136 27.678 1.00 0.00 C ATOM 657 CD2 TYR A 40 13.940 -14.409 26.024 1.00 0.00 C ATOM 658 CE1 TYR A 40 13.231 -16.835 27.244 1.00 0.00 C ATOM 659 CE2 TYR A 40 12.809 -15.105 25.579 1.00 0.00 C ATOM 660 CZ TYR A 40 12.444 -16.320 26.194 1.00 0.00 C ATOM 661 OH TYR A 40 11.336 -16.993 25.772 1.00 0.00 O ATOM 0 H TYR A 40 15.020 -11.604 27.915 1.00 0.00 H new ATOM 0 HA TYR A 40 15.300 -14.021 29.603 1.00 0.00 H new ATOM 0 HB2 TYR A 40 16.267 -13.482 26.767 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.748 -14.867 27.728 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.973 -16.536 28.477 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.215 -13.476 25.555 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.959 -17.768 27.715 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.217 -14.711 24.766 1.00 0.00 H new ATOM 0 HH TYR A 40 10.910 -16.497 25.042 1.00 0.00 H new ATOM 671 N VAL A 41 17.205 -11.462 29.270 1.00 0.00 N ATOM 672 CA VAL A 41 18.348 -10.758 29.849 1.00 0.00 C ATOM 673 C VAL A 41 17.899 -9.389 30.356 1.00 0.00 C ATOM 674 O VAL A 41 16.926 -8.838 29.845 1.00 0.00 O ATOM 675 CB VAL A 41 19.488 -10.596 28.831 1.00 0.00 C ATOM 676 CG1 VAL A 41 20.226 -11.918 28.629 1.00 0.00 C ATOM 677 CG2 VAL A 41 18.988 -10.093 27.478 1.00 0.00 C ATOM 0 H VAL A 41 16.563 -10.847 28.771 1.00 0.00 H new ATOM 0 HA VAL A 41 18.730 -11.352 30.679 1.00 0.00 H new ATOM 0 HB VAL A 41 20.168 -9.851 29.244 1.00 0.00 H new ATOM 0 HG11 VAL A 41 21.029 -11.780 27.905 1.00 0.00 H new ATOM 0 HG12 VAL A 41 20.647 -12.248 29.579 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.530 -12.671 28.260 1.00 0.00 H new ATOM 0 HG21 VAL A 41 19.830 -9.995 26.793 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.268 -10.802 27.069 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.508 -9.123 27.605 1.00 0.00 H new ATOM 687 N PRO A 42 18.592 -8.831 31.357 1.00 0.00 N ATOM 688 CA PRO A 42 18.272 -7.533 31.931 1.00 0.00 C ATOM 689 C PRO A 42 18.534 -6.418 30.925 1.00 0.00 C ATOM 690 O PRO A 42 19.216 -6.619 29.921 1.00 0.00 O ATOM 691 CB PRO A 42 19.166 -7.407 33.162 1.00 0.00 C ATOM 692 CG PRO A 42 20.378 -8.252 32.786 1.00 0.00 C ATOM 693 CD PRO A 42 19.746 -9.409 32.020 1.00 0.00 C ATOM 0 HA PRO A 42 17.219 -7.449 32.198 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.441 -6.371 33.358 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.674 -7.782 34.059 1.00 0.00 H new ATOM 0 HG2 PRO A 42 21.086 -7.696 32.171 1.00 0.00 H new ATOM 0 HG3 PRO A 42 20.922 -8.596 33.666 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.444 -9.834 31.299 1.00 0.00 H new ATOM 0 HD3 PRO A 42 19.453 -10.215 32.693 1.00 0.00 H new ATOM 701 N SER A 43 17.993 -5.225 31.193 1.00 0.00 N ATOM 702 CA SER A 43 18.083 -4.094 30.276 1.00 0.00 C ATOM 703 C SER A 43 19.510 -3.581 30.114 1.00 0.00 C ATOM 704 O SER A 43 19.768 -2.755 29.236 1.00 0.00 O ATOM 705 CB SER A 43 17.164 -2.975 30.764 1.00 0.00 C ATOM 706 OG SER A 43 17.570 -2.547 32.049 1.00 0.00 O ATOM 0 H SER A 43 17.482 -5.021 32.052 1.00 0.00 H new ATOM 0 HA SER A 43 17.764 -4.437 29.292 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.193 -2.138 30.066 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.133 -3.327 30.797 1.00 0.00 H new ATOM 0 HG SER A 43 16.979 -1.828 32.356 1.00 0.00 H new ATOM 712 N GLY A 44 20.449 -4.049 30.943 1.00 0.00 N ATOM 713 CA GLY A 44 21.846 -3.656 30.836 1.00 0.00 C ATOM 714 C GLY A 44 22.623 -4.554 29.878 1.00 0.00 C ATOM 715 O GLY A 44 23.697 -4.177 29.416 1.00 0.00 O ATOM 0 H GLY A 44 20.258 -4.706 31.700 1.00 0.00 H new ATOM 0 HA2 GLY A 44 21.906 -2.623 30.493 1.00 0.00 H new ATOM 0 HA3 GLY A 44 22.309 -3.692 31.822 1.00 0.00 H new ATOM 719 N ASP A 45 22.087 -5.744 29.576 1.00 0.00 N ATOM 720 CA ASP A 45 22.725 -6.698 28.682 1.00 0.00 C ATOM 721 C ASP A 45 21.883 -6.940 27.430 1.00 0.00 C ATOM 722 O ASP A 45 22.314 -7.648 26.524 1.00 0.00 O ATOM 723 CB ASP A 45 22.991 -7.999 29.438 1.00 0.00 C ATOM 724 CG ASP A 45 24.012 -7.797 30.555 1.00 0.00 C ATOM 725 OD1 ASP A 45 25.223 -7.891 30.253 1.00 0.00 O ATOM 726 OD2 ASP A 45 23.579 -7.551 31.705 1.00 0.00 O ATOM 0 H ASP A 45 21.195 -6.066 29.951 1.00 0.00 H new ATOM 0 HA ASP A 45 23.676 -6.285 28.344 1.00 0.00 H new ATOM 0 HB2 ASP A 45 22.058 -8.374 29.859 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.354 -8.757 28.744 1.00 0.00 H new ATOM 731 N VAL A 46 20.681 -6.360 27.369 1.00 0.00 N ATOM 732 CA VAL A 46 19.783 -6.578 26.243 1.00 0.00 C ATOM 733 C VAL A 46 20.299 -5.977 24.927 1.00 0.00 C ATOM 734 O VAL A 46 20.029 -6.567 23.886 1.00 0.00 O ATOM 735 CB VAL A 46 18.367 -6.100 26.596 1.00 0.00 C ATOM 736 CG1 VAL A 46 18.199 -4.586 26.568 1.00 0.00 C ATOM 737 CG2 VAL A 46 17.355 -6.706 25.633 1.00 0.00 C ATOM 0 H VAL A 46 20.312 -5.737 28.088 1.00 0.00 H new ATOM 0 HA VAL A 46 19.745 -7.652 26.059 1.00 0.00 H new ATOM 0 HB VAL A 46 18.196 -6.431 27.620 1.00 0.00 H new ATOM 0 HG11 VAL A 46 17.172 -4.329 26.828 1.00 0.00 H new ATOM 0 HG12 VAL A 46 18.880 -4.131 27.287 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.424 -4.213 25.569 1.00 0.00 H new ATOM 0 HG21 VAL A 46 16.354 -6.361 25.892 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.593 -6.399 24.615 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.393 -7.793 25.702 1.00 0.00 H new ATOM 747 N PRO A 47 21.028 -4.845 24.894 1.00 0.00 N ATOM 748 CA PRO A 47 21.417 -4.251 23.623 1.00 0.00 C ATOM 749 C PRO A 47 22.577 -5.006 22.979 1.00 0.00 C ATOM 750 O PRO A 47 22.739 -4.969 21.759 1.00 0.00 O ATOM 751 CB PRO A 47 21.834 -2.824 23.969 1.00 0.00 C ATOM 752 CG PRO A 47 22.419 -2.976 25.370 1.00 0.00 C ATOM 753 CD PRO A 47 21.517 -4.036 26.000 1.00 0.00 C ATOM 0 HA PRO A 47 20.601 -4.285 22.901 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.568 -2.434 23.264 1.00 0.00 H new ATOM 0 HB3 PRO A 47 20.986 -2.140 23.956 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.460 -3.296 25.341 1.00 0.00 H new ATOM 0 HG3 PRO A 47 22.389 -2.038 25.925 1.00 0.00 H new ATOM 0 HD2 PRO A 47 22.069 -4.645 26.716 1.00 0.00 H new ATOM 0 HD3 PRO A 47 20.692 -3.575 26.543 1.00 0.00 H new ATOM 761 N ASP A 48 23.390 -5.693 23.786 1.00 0.00 N ATOM 762 CA ASP A 48 24.542 -6.419 23.271 1.00 0.00 C ATOM 763 C ASP A 48 24.112 -7.782 22.736 1.00 0.00 C ATOM 764 O ASP A 48 24.727 -8.311 21.812 1.00 0.00 O ATOM 765 CB ASP A 48 25.574 -6.578 24.391 1.00 0.00 C ATOM 766 CG ASP A 48 26.862 -7.207 23.868 1.00 0.00 C ATOM 767 OD1 ASP A 48 27.598 -6.499 23.143 1.00 0.00 O ATOM 768 OD2 ASP A 48 27.103 -8.390 24.194 1.00 0.00 O ATOM 0 H ASP A 48 23.268 -5.758 24.797 1.00 0.00 H new ATOM 0 HA ASP A 48 24.989 -5.861 22.448 1.00 0.00 H new ATOM 0 HB2 ASP A 48 25.793 -5.604 24.828 1.00 0.00 H new ATOM 0 HB3 ASP A 48 25.160 -7.198 25.186 1.00 0.00 H new ATOM 773 N VAL A 49 23.052 -8.354 23.312 1.00 0.00 N ATOM 774 CA VAL A 49 22.536 -9.641 22.872 1.00 0.00 C ATOM 775 C VAL A 49 21.716 -9.463 21.594 1.00 0.00 C ATOM 776 O VAL A 49 21.598 -10.402 20.809 1.00 0.00 O ATOM 777 CB VAL A 49 21.729 -10.275 24.010 1.00 0.00 C ATOM 778 CG1 VAL A 49 21.032 -11.556 23.561 1.00 0.00 C ATOM 779 CG2 VAL A 49 22.662 -10.630 25.169 1.00 0.00 C ATOM 0 H VAL A 49 22.536 -7.939 24.088 1.00 0.00 H new ATOM 0 HA VAL A 49 23.354 -10.320 22.630 1.00 0.00 H new ATOM 0 HB VAL A 49 20.978 -9.548 24.319 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.470 -11.976 24.395 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.350 -11.331 22.741 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.777 -12.277 23.226 1.00 0.00 H new ATOM 0 HG21 VAL A 49 22.084 -11.081 25.976 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.417 -11.337 24.825 1.00 0.00 H new ATOM 0 HG23 VAL A 49 23.150 -9.726 25.533 1.00 0.00 H new ATOM 789 N VAL A 50 21.150 -8.272 21.372 1.00 0.00 N ATOM 790 CA VAL A 50 20.446 -7.977 20.130 1.00 0.00 C ATOM 791 C VAL A 50 21.462 -7.835 18.999 1.00 0.00 C ATOM 792 O VAL A 50 21.195 -8.255 17.874 1.00 0.00 O ATOM 793 CB VAL A 50 19.620 -6.696 20.289 1.00 0.00 C ATOM 794 CG1 VAL A 50 19.102 -6.191 18.943 1.00 0.00 C ATOM 795 CG2 VAL A 50 18.414 -6.971 21.183 1.00 0.00 C ATOM 0 H VAL A 50 21.168 -7.500 22.039 1.00 0.00 H new ATOM 0 HA VAL A 50 19.763 -8.791 19.889 1.00 0.00 H new ATOM 0 HB VAL A 50 20.271 -5.940 20.729 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.521 -5.281 19.095 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.945 -5.978 18.286 1.00 0.00 H new ATOM 0 HG13 VAL A 50 18.470 -6.953 18.487 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.828 -6.059 21.295 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.795 -7.746 20.731 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.756 -7.305 22.163 1.00 0.00 H new ATOM 805 N GLN A 51 22.629 -7.250 19.287 1.00 0.00 N ATOM 806 CA GLN A 51 23.666 -7.106 18.284 1.00 0.00 C ATOM 807 C GLN A 51 24.281 -8.466 17.977 1.00 0.00 C ATOM 808 O GLN A 51 24.514 -8.782 16.814 1.00 0.00 O ATOM 809 CB GLN A 51 24.712 -6.105 18.774 1.00 0.00 C ATOM 810 CG GLN A 51 25.817 -5.925 17.733 1.00 0.00 C ATOM 811 CD GLN A 51 26.812 -4.837 18.130 1.00 0.00 C ATOM 812 OE1 GLN A 51 26.705 -4.220 19.187 1.00 0.00 O ATOM 813 NE2 GLN A 51 27.800 -4.588 17.274 1.00 0.00 N ATOM 0 H GLN A 51 22.870 -6.873 20.204 1.00 0.00 H new ATOM 0 HA GLN A 51 23.240 -6.721 17.357 1.00 0.00 H new ATOM 0 HB2 GLN A 51 24.237 -5.145 18.977 1.00 0.00 H new ATOM 0 HB3 GLN A 51 25.143 -6.452 19.713 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.347 -6.869 17.601 1.00 0.00 H new ATOM 0 HG3 GLN A 51 25.370 -5.673 16.771 1.00 0.00 H new ATOM 0 HE21 GLN A 51 27.865 -5.115 16.403 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.492 -3.870 17.489 1.00 0.00 H new ATOM 822 N GLU A 52 24.547 -9.282 19.001 1.00 0.00 N ATOM 823 CA GLU A 52 25.122 -10.598 18.770 1.00 0.00 C ATOM 824 C GLU A 52 24.113 -11.498 18.059 1.00 0.00 C ATOM 825 O GLU A 52 24.506 -12.423 17.350 1.00 0.00 O ATOM 826 CB GLU A 52 25.575 -11.204 20.097 1.00 0.00 C ATOM 827 CG GLU A 52 26.339 -12.507 19.859 1.00 0.00 C ATOM 828 CD GLU A 52 27.028 -12.979 21.137 1.00 0.00 C ATOM 829 OE1 GLU A 52 28.116 -12.441 21.441 1.00 0.00 O ATOM 830 OE2 GLU A 52 26.465 -13.878 21.804 1.00 0.00 O ATOM 0 H GLU A 52 24.375 -9.055 19.980 1.00 0.00 H new ATOM 0 HA GLU A 52 25.995 -10.505 18.124 1.00 0.00 H new ATOM 0 HB2 GLU A 52 26.210 -10.495 20.629 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.709 -11.394 20.731 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.652 -13.276 19.507 1.00 0.00 H new ATOM 0 HG3 GLU A 52 27.081 -12.359 19.075 1.00 0.00 H new ATOM 837 N ALA A 53 22.817 -11.232 18.236 1.00 0.00 N ATOM 838 CA ALA A 53 21.786 -12.003 17.563 1.00 0.00 C ATOM 839 C ALA A 53 21.726 -11.644 16.081 1.00 0.00 C ATOM 840 O ALA A 53 21.336 -12.485 15.276 1.00 0.00 O ATOM 841 CB ALA A 53 20.440 -11.752 18.238 1.00 0.00 C ATOM 0 H ALA A 53 22.464 -10.489 18.839 1.00 0.00 H new ATOM 0 HA ALA A 53 22.027 -13.063 17.638 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.666 -12.330 17.733 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.495 -12.055 19.284 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.196 -10.691 18.180 1.00 0.00 H new ATOM 847 N PHE A 54 22.106 -10.419 15.705 1.00 0.00 N ATOM 848 CA PHE A 54 22.124 -10.024 14.307 1.00 0.00 C ATOM 849 C PHE A 54 23.435 -10.432 13.638 1.00 0.00 C ATOM 850 O PHE A 54 23.453 -10.698 12.438 1.00 0.00 O ATOM 851 CB PHE A 54 21.880 -8.518 14.189 1.00 0.00 C ATOM 852 CG PHE A 54 20.480 -8.072 14.567 1.00 0.00 C ATOM 853 CD1 PHE A 54 19.366 -8.865 14.240 1.00 0.00 C ATOM 854 CD2 PHE A 54 20.289 -6.859 15.241 1.00 0.00 C ATOM 855 CE1 PHE A 54 18.077 -8.441 14.583 1.00 0.00 C ATOM 856 CE2 PHE A 54 18.997 -6.426 15.568 1.00 0.00 C ATOM 857 CZ PHE A 54 17.892 -7.221 15.240 1.00 0.00 C ATOM 0 H PHE A 54 22.404 -9.690 16.354 1.00 0.00 H new ATOM 0 HA PHE A 54 21.321 -10.544 13.784 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.597 -7.997 14.824 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.080 -8.210 13.163 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.505 -9.803 13.723 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.142 -6.254 15.510 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.224 -9.057 14.340 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.854 -5.481 16.072 1.00 0.00 H new ATOM 0 HZ PHE A 54 16.896 -6.891 15.495 1.00 0.00 H new ATOM 867 N ILE A 55 24.533 -10.490 14.395 1.00 0.00 N ATOM 868 CA ILE A 55 25.801 -10.969 13.862 1.00 0.00 C ATOM 869 C ILE A 55 25.706 -12.480 13.661 1.00 0.00 C ATOM 870 O ILE A 55 26.234 -13.025 12.693 1.00 0.00 O ATOM 871 CB ILE A 55 26.941 -10.594 14.823 1.00 0.00 C ATOM 872 CG1 ILE A 55 27.067 -9.066 14.924 1.00 0.00 C ATOM 873 CG2 ILE A 55 28.260 -11.200 14.333 1.00 0.00 C ATOM 874 CD1 ILE A 55 28.069 -8.645 16.000 1.00 0.00 C ATOM 0 H ILE A 55 24.565 -10.211 15.376 1.00 0.00 H new ATOM 0 HA ILE A 55 26.015 -10.503 12.900 1.00 0.00 H new ATOM 0 HB ILE A 55 26.714 -10.993 15.812 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.379 -8.663 13.960 1.00 0.00 H new ATOM 0 HG13 ILE A 55 26.091 -8.636 15.149 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.062 -10.929 15.020 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.169 -12.285 14.292 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.489 -10.817 13.339 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.127 -7.557 16.038 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.744 -9.025 16.969 1.00 0.00 H new ATOM 0 HD13 ILE A 55 29.051 -9.053 15.762 1.00 0.00 H new ATOM 886 N LYS A 56 25.020 -13.163 14.586 1.00 0.00 N ATOM 887 CA LYS A 56 24.819 -14.605 14.527 1.00 0.00 C ATOM 888 C LYS A 56 23.767 -14.956 13.481 1.00 0.00 C ATOM 889 O LYS A 56 23.858 -16.005 12.844 1.00 0.00 O ATOM 890 CB LYS A 56 24.396 -15.069 15.922 1.00 0.00 C ATOM 891 CG LYS A 56 24.237 -16.587 16.007 1.00 0.00 C ATOM 892 CD LYS A 56 23.734 -16.981 17.397 1.00 0.00 C ATOM 893 CE LYS A 56 24.693 -16.556 18.509 1.00 0.00 C ATOM 894 NZ LYS A 56 26.010 -17.213 18.374 1.00 0.00 N ATOM 0 H LYS A 56 24.589 -12.722 15.399 1.00 0.00 H new ATOM 0 HA LYS A 56 25.738 -15.111 14.232 1.00 0.00 H new ATOM 0 HB2 LYS A 56 25.138 -14.743 16.651 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.453 -14.592 16.191 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.536 -16.931 15.246 1.00 0.00 H new ATOM 0 HG3 LYS A 56 25.191 -17.073 15.805 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.759 -16.526 17.569 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.593 -18.061 17.436 1.00 0.00 H new ATOM 0 HE2 LYS A 56 24.822 -15.474 18.485 1.00 0.00 H new ATOM 0 HE3 LYS A 56 24.260 -16.804 19.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 26.594 -16.995 19.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 25.879 -18.242 18.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 26.486 -16.864 17.517 1.00 0.00 H new ATOM 908 N ALA A 57 22.770 -14.090 13.291 1.00 0.00 N ATOM 909 CA ALA A 57 21.729 -14.344 12.309 1.00 0.00 C ATOM 910 C ALA A 57 22.289 -14.260 10.896 1.00 0.00 C ATOM 911 O ALA A 57 21.955 -15.100 10.072 1.00 0.00 O ATOM 912 CB ALA A 57 20.586 -13.348 12.484 1.00 0.00 C ATOM 0 H ALA A 57 22.667 -13.214 13.803 1.00 0.00 H new ATOM 0 HA ALA A 57 21.346 -15.352 12.467 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.812 -13.548 11.743 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.165 -13.449 13.484 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.963 -12.334 12.350 1.00 0.00 H new ATOM 918 N TYR A 58 23.135 -13.270 10.594 1.00 0.00 N ATOM 919 CA TYR A 58 23.647 -13.099 9.242 1.00 0.00 C ATOM 920 C TYR A 58 24.473 -14.309 8.805 1.00 0.00 C ATOM 921 O TYR A 58 24.417 -14.722 7.647 1.00 0.00 O ATOM 922 CB TYR A 58 24.517 -11.849 9.206 1.00 0.00 C ATOM 923 CG TYR A 58 24.986 -11.505 7.813 1.00 0.00 C ATOM 924 CD1 TYR A 58 24.100 -10.914 6.901 1.00 0.00 C ATOM 925 CD2 TYR A 58 26.308 -11.781 7.434 1.00 0.00 C ATOM 926 CE1 TYR A 58 24.543 -10.567 5.617 1.00 0.00 C ATOM 927 CE2 TYR A 58 26.752 -11.447 6.148 1.00 0.00 C ATOM 928 CZ TYR A 58 25.872 -10.835 5.235 1.00 0.00 C ATOM 929 OH TYR A 58 26.307 -10.508 3.985 1.00 0.00 O ATOM 0 H TYR A 58 23.474 -12.582 11.266 1.00 0.00 H new ATOM 0 HA TYR A 58 22.806 -13.001 8.556 1.00 0.00 H new ATOM 0 HB2 TYR A 58 23.955 -11.009 9.614 1.00 0.00 H new ATOM 0 HB3 TYR A 58 25.384 -11.996 9.851 1.00 0.00 H new ATOM 0 HD1 TYR A 58 23.076 -10.726 7.188 1.00 0.00 H new ATOM 0 HD2 TYR A 58 26.983 -12.251 8.134 1.00 0.00 H new ATOM 0 HE1 TYR A 58 23.866 -10.094 4.921 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.770 -11.659 5.857 1.00 0.00 H new ATOM 0 HH TYR A 58 27.249 -10.761 3.890 1.00 0.00 H new ATOM 939 N ARG A 59 25.239 -14.878 9.741 1.00 0.00 N ATOM 940 CA ARG A 59 26.082 -16.034 9.471 1.00 0.00 C ATOM 941 C ARG A 59 25.239 -17.293 9.275 1.00 0.00 C ATOM 942 O ARG A 59 25.672 -18.230 8.609 1.00 0.00 O ATOM 943 CB ARG A 59 27.039 -16.214 10.646 1.00 0.00 C ATOM 944 CG ARG A 59 27.994 -15.022 10.737 1.00 0.00 C ATOM 945 CD ARG A 59 28.750 -15.102 12.058 1.00 0.00 C ATOM 946 NE ARG A 59 29.797 -14.075 12.139 1.00 0.00 N ATOM 947 CZ ARG A 59 31.049 -14.227 11.692 1.00 0.00 C ATOM 948 NH1 ARG A 59 31.436 -15.363 11.118 1.00 0.00 N ATOM 949 NH2 ARG A 59 31.925 -13.235 11.818 1.00 0.00 N ATOM 0 H ARG A 59 25.288 -14.546 10.704 1.00 0.00 H new ATOM 0 HA ARG A 59 26.642 -15.869 8.551 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.474 -16.308 11.573 1.00 0.00 H new ATOM 0 HB3 ARG A 59 27.607 -17.136 10.524 1.00 0.00 H new ATOM 0 HG2 ARG A 59 28.693 -15.033 9.900 1.00 0.00 H new ATOM 0 HG3 ARG A 59 27.438 -14.087 10.676 1.00 0.00 H new ATOM 0 HD2 ARG A 59 28.052 -14.979 12.886 1.00 0.00 H new ATOM 0 HD3 ARG A 59 29.198 -16.090 12.163 1.00 0.00 H new ATOM 0 HE ARG A 59 29.552 -13.182 12.567 1.00 0.00 H new ATOM 0 HH11 ARG A 59 30.775 -16.133 11.014 1.00 0.00 H new ATOM 0 HH12 ARG A 59 32.394 -15.464 10.782 1.00 0.00 H new ATOM 0 HH21 ARG A 59 31.643 -12.358 12.255 1.00 0.00 H new ATOM 0 HH22 ARG A 59 32.879 -13.351 11.477 1.00 0.00 H new ATOM 963 N ALA A 60 24.037 -17.308 9.855 1.00 0.00 N ATOM 964 CA ALA A 60 23.089 -18.397 9.690 1.00 0.00 C ATOM 965 C ALA A 60 22.088 -18.105 8.568 1.00 0.00 C ATOM 966 O ALA A 60 21.356 -18.997 8.148 1.00 0.00 O ATOM 967 CB ALA A 60 22.380 -18.633 11.022 1.00 0.00 C ATOM 0 H ALA A 60 23.698 -16.557 10.455 1.00 0.00 H new ATOM 0 HA ALA A 60 23.624 -19.301 9.399 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.665 -19.448 10.914 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.115 -18.893 11.784 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.854 -17.726 11.320 1.00 0.00 H new ATOM 973 N LEU A 61 22.048 -16.861 8.079 1.00 0.00 N ATOM 974 CA LEU A 61 21.108 -16.441 7.056 1.00 0.00 C ATOM 975 C LEU A 61 21.526 -16.991 5.697 1.00 0.00 C ATOM 976 O LEU A 61 20.695 -17.153 4.807 1.00 0.00 O ATOM 977 CB LEU A 61 21.054 -14.911 7.035 1.00 0.00 C ATOM 978 CG LEU A 61 19.873 -14.384 6.219 1.00 0.00 C ATOM 979 CD1 LEU A 61 18.550 -14.734 6.895 1.00 0.00 C ATOM 980 CD2 LEU A 61 19.985 -12.865 6.154 1.00 0.00 C ATOM 0 H LEU A 61 22.675 -16.119 8.390 1.00 0.00 H new ATOM 0 HA LEU A 61 20.116 -16.832 7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 61 20.982 -14.538 8.057 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.983 -14.522 6.618 1.00 0.00 H new ATOM 0 HG LEU A 61 19.895 -14.833 5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.723 -14.350 6.298 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.462 -15.817 6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.519 -14.286 7.888 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.153 -12.463 5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.958 -12.455 7.163 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.925 -12.590 5.676 1.00 0.00 H new ATOM 992 N ASP A 62 22.820 -17.281 5.536 1.00 0.00 N ATOM 993 CA ASP A 62 23.328 -17.926 4.335 1.00 0.00 C ATOM 994 C ASP A 62 22.832 -19.371 4.252 1.00 0.00 C ATOM 995 O ASP A 62 22.985 -20.020 3.219 1.00 0.00 O ATOM 996 CB ASP A 62 24.855 -17.868 4.365 1.00 0.00 C ATOM 997 CG ASP A 62 25.464 -18.396 3.068 1.00 0.00 C ATOM 998 OD1 ASP A 62 25.187 -17.789 2.011 1.00 0.00 O ATOM 999 OD2 ASP A 62 26.202 -19.406 3.144 1.00 0.00 O ATOM 0 H ASP A 62 23.536 -17.075 6.233 1.00 0.00 H new ATOM 0 HA ASP A 62 22.963 -17.407 3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.177 -16.839 4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.225 -18.454 5.206 1.00 0.00 H new ATOM 1004 N SER A 63 22.236 -19.876 5.338 1.00 0.00 N ATOM 1005 CA SER A 63 21.701 -21.226 5.409 1.00 0.00 C ATOM 1006 C SER A 63 20.172 -21.228 5.440 1.00 0.00 C ATOM 1007 O SER A 63 19.559 -22.290 5.533 1.00 0.00 O ATOM 1008 CB SER A 63 22.278 -21.932 6.634 1.00 0.00 C ATOM 1009 OG SER A 63 23.686 -21.976 6.553 1.00 0.00 O ATOM 0 H SER A 63 22.114 -19.345 6.200 1.00 0.00 H new ATOM 0 HA SER A 63 21.996 -21.766 4.510 1.00 0.00 H new ATOM 0 HB2 SER A 63 21.975 -21.409 7.541 1.00 0.00 H new ATOM 0 HB3 SER A 63 21.879 -22.944 6.701 1.00 0.00 H new ATOM 0 HG SER A 63 24.045 -22.429 7.344 1.00 0.00 H new ATOM 1015 N PHE A 64 19.551 -20.045 5.360 1.00 0.00 N ATOM 1016 CA PHE A 64 18.106 -19.909 5.326 1.00 0.00 C ATOM 1017 C PHE A 64 17.580 -20.325 3.950 1.00 0.00 C ATOM 1018 O PHE A 64 18.261 -20.130 2.944 1.00 0.00 O ATOM 1019 CB PHE A 64 17.733 -18.463 5.654 1.00 0.00 C ATOM 1020 CG PHE A 64 16.246 -18.207 5.711 1.00 0.00 C ATOM 1021 CD1 PHE A 64 15.492 -18.686 6.792 1.00 0.00 C ATOM 1022 CD2 PHE A 64 15.615 -17.492 4.684 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.111 -18.439 6.850 1.00 0.00 C ATOM 1024 CE2 PHE A 64 14.239 -17.242 4.742 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.485 -17.715 5.829 1.00 0.00 C ATOM 0 H PHE A 64 20.048 -19.155 5.317 1.00 0.00 H new ATOM 0 HA PHE A 64 17.648 -20.561 6.069 1.00 0.00 H new ATOM 0 HB2 PHE A 64 18.174 -18.194 6.614 1.00 0.00 H new ATOM 0 HB3 PHE A 64 18.175 -17.806 4.905 1.00 0.00 H new ATOM 0 HD1 PHE A 64 15.974 -19.245 7.580 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.192 -17.133 3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.531 -18.808 7.683 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.757 -16.686 3.952 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.424 -17.520 5.877 1.00 0.00 H new ATOM 1099 N PHE A 70 10.388 -15.523 8.022 1.00 0.00 N ATOM 1100 CA PHE A 70 11.646 -14.943 8.461 1.00 0.00 C ATOM 1101 C PHE A 70 11.561 -14.405 9.885 1.00 0.00 C ATOM 1102 O PHE A 70 12.548 -14.459 10.615 1.00 0.00 O ATOM 1103 CB PHE A 70 12.053 -13.817 7.513 1.00 0.00 C ATOM 1104 CG PHE A 70 13.306 -13.103 7.968 1.00 0.00 C ATOM 1105 CD1 PHE A 70 14.542 -13.765 7.965 1.00 0.00 C ATOM 1106 CD2 PHE A 70 13.230 -11.775 8.414 1.00 0.00 C ATOM 1107 CE1 PHE A 70 15.693 -13.104 8.410 1.00 0.00 C ATOM 1108 CE2 PHE A 70 14.381 -11.115 8.857 1.00 0.00 C ATOM 1109 CZ PHE A 70 15.618 -11.777 8.854 1.00 0.00 C ATOM 0 HA PHE A 70 12.396 -15.734 8.448 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.213 -14.226 6.516 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.237 -13.099 7.435 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.606 -14.786 7.619 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.280 -11.261 8.415 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.642 -13.619 8.411 1.00 0.00 H new ATOM 0 HE2 PHE A 70 14.317 -10.094 9.202 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.508 -11.267 9.192 1.00 0.00 H new ATOM 1119 N TYR A 71 10.401 -13.885 10.297 1.00 0.00 N ATOM 1120 CA TYR A 71 10.279 -13.331 11.633 1.00 0.00 C ATOM 1121 C TYR A 71 10.351 -14.436 12.683 1.00 0.00 C ATOM 1122 O TYR A 71 10.939 -14.236 13.743 1.00 0.00 O ATOM 1123 CB TYR A 71 8.996 -12.509 11.762 1.00 0.00 C ATOM 1124 CG TYR A 71 7.708 -13.289 11.607 1.00 0.00 C ATOM 1125 CD1 TYR A 71 7.178 -13.984 12.704 1.00 0.00 C ATOM 1126 CD2 TYR A 71 7.044 -13.313 10.371 1.00 0.00 C ATOM 1127 CE1 TYR A 71 5.984 -14.711 12.566 1.00 0.00 C ATOM 1128 CE2 TYR A 71 5.850 -14.031 10.229 1.00 0.00 C ATOM 1129 CZ TYR A 71 5.315 -14.732 11.325 1.00 0.00 C ATOM 1130 OH TYR A 71 4.154 -15.429 11.187 1.00 0.00 O ATOM 0 H TYR A 71 9.553 -13.840 9.732 1.00 0.00 H new ATOM 0 HA TYR A 71 11.118 -12.657 11.808 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.992 -12.024 12.738 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.014 -11.718 11.013 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.688 -13.960 13.656 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.454 -12.777 9.528 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.579 -15.252 13.408 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.340 -14.047 9.277 1.00 0.00 H new ATOM 0 HH TYR A 71 3.825 -15.337 10.269 1.00 0.00 H new ATOM 1140 N THR A 72 9.766 -15.606 12.407 1.00 0.00 N ATOM 1141 CA THR A 72 9.822 -16.710 13.357 1.00 0.00 C ATOM 1142 C THR A 72 11.248 -17.242 13.426 1.00 0.00 C ATOM 1143 O THR A 72 11.725 -17.619 14.492 1.00 0.00 O ATOM 1144 CB THR A 72 8.870 -17.825 12.925 1.00 0.00 C ATOM 1145 OG1 THR A 72 7.562 -17.315 12.792 1.00 0.00 O ATOM 1146 CG2 THR A 72 8.858 -18.950 13.959 1.00 0.00 C ATOM 0 H THR A 72 9.257 -15.807 11.546 1.00 0.00 H new ATOM 0 HA THR A 72 9.518 -16.354 14.341 1.00 0.00 H new ATOM 0 HB THR A 72 9.216 -18.217 11.969 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.587 -16.336 12.828 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.175 -19.735 13.635 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.862 -19.362 14.060 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.529 -18.557 14.921 1.00 0.00 H new ATOM 1154 N TRP A 73 11.936 -17.272 12.283 1.00 0.00 N ATOM 1155 CA TRP A 73 13.293 -17.777 12.210 1.00 0.00 C ATOM 1156 C TRP A 73 14.266 -16.830 12.907 1.00 0.00 C ATOM 1157 O TRP A 73 15.261 -17.280 13.469 1.00 0.00 O ATOM 1158 CB TRP A 73 13.654 -17.962 10.737 1.00 0.00 C ATOM 1159 CG TRP A 73 15.064 -18.391 10.494 1.00 0.00 C ATOM 1160 CD1 TRP A 73 15.483 -19.665 10.331 1.00 0.00 C ATOM 1161 CD2 TRP A 73 16.258 -17.560 10.385 1.00 0.00 C ATOM 1162 NE1 TRP A 73 16.848 -19.684 10.139 1.00 0.00 N ATOM 1163 CE2 TRP A 73 17.382 -18.413 10.178 1.00 0.00 C ATOM 1164 CE3 TRP A 73 16.507 -16.175 10.450 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.684 -17.920 10.062 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 17.813 -15.672 10.327 1.00 0.00 C ATOM 1167 CH2 TRP A 73 18.896 -16.540 10.140 1.00 0.00 C ATOM 0 H TRP A 73 11.564 -16.947 11.391 1.00 0.00 H new ATOM 0 HA TRP A 73 13.363 -18.734 12.726 1.00 0.00 H new ATOM 0 HB2 TRP A 73 12.982 -18.702 10.302 1.00 0.00 H new ATOM 0 HB3 TRP A 73 13.478 -17.023 10.212 1.00 0.00 H new ATOM 0 HD1 TRP A 73 14.845 -20.536 10.348 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.394 -20.532 9.987 1.00 0.00 H new ATOM 0 HE3 TRP A 73 15.684 -15.491 10.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 19.514 -18.595 9.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 17.983 -14.607 10.377 1.00 0.00 H new ATOM 0 HH2 TRP A 73 19.897 -16.143 10.056 1.00 0.00 H new ATOM 1178 N LEU A 74 13.987 -15.522 12.877 1.00 0.00 N ATOM 1179 CA LEU A 74 14.859 -14.521 13.467 1.00 0.00 C ATOM 1180 C LEU A 74 14.629 -14.402 14.973 1.00 0.00 C ATOM 1181 O LEU A 74 15.574 -14.158 15.723 1.00 0.00 O ATOM 1182 CB LEU A 74 14.609 -13.188 12.754 1.00 0.00 C ATOM 1183 CG LEU A 74 15.524 -12.071 13.266 1.00 0.00 C ATOM 1184 CD1 LEU A 74 16.999 -12.396 13.026 1.00 0.00 C ATOM 1185 CD2 LEU A 74 15.177 -10.781 12.530 1.00 0.00 C ATOM 0 H LEU A 74 13.149 -15.136 12.442 1.00 0.00 H new ATOM 0 HA LEU A 74 15.900 -14.816 13.337 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.763 -13.318 11.683 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.569 -12.894 12.893 1.00 0.00 H new ATOM 0 HG LEU A 74 15.370 -11.965 14.340 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.617 -11.581 13.402 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.258 -13.318 13.547 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.175 -12.521 11.958 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.821 -9.976 12.884 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.327 -10.921 11.459 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.135 -10.523 12.720 1.00 0.00 H new ATOM 1197 N TYR A 75 13.383 -14.570 15.426 1.00 0.00 N ATOM 1198 CA TYR A 75 13.087 -14.506 16.850 1.00 0.00 C ATOM 1199 C TYR A 75 13.801 -15.636 17.589 1.00 0.00 C ATOM 1200 O TYR A 75 14.123 -15.493 18.765 1.00 0.00 O ATOM 1201 CB TYR A 75 11.577 -14.624 17.073 1.00 0.00 C ATOM 1202 CG TYR A 75 10.710 -13.500 16.540 1.00 0.00 C ATOM 1203 CD1 TYR A 75 11.268 -12.319 16.015 1.00 0.00 C ATOM 1204 CD2 TYR A 75 9.314 -13.652 16.580 1.00 0.00 C ATOM 1205 CE1 TYR A 75 10.429 -11.298 15.546 1.00 0.00 C ATOM 1206 CE2 TYR A 75 8.473 -12.635 16.108 1.00 0.00 C ATOM 1207 CZ TYR A 75 9.027 -11.450 15.592 1.00 0.00 C ATOM 1208 OH TYR A 75 8.215 -10.454 15.135 1.00 0.00 O ATOM 0 H TYR A 75 12.575 -14.749 14.830 1.00 0.00 H new ATOM 0 HA TYR A 75 13.438 -13.549 17.237 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.240 -15.556 16.619 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.399 -14.709 18.145 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.341 -12.200 15.974 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.885 -14.560 16.978 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.858 -10.391 15.148 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.401 -12.761 16.141 1.00 0.00 H new ATOM 0 HH TYR A 75 7.278 -10.722 15.239 1.00 0.00 H new ATOM 1218 N ARG A 76 14.053 -16.757 16.900 1.00 0.00 N ATOM 1219 CA ARG A 76 14.738 -17.907 17.483 1.00 0.00 C ATOM 1220 C ARG A 76 16.221 -17.634 17.676 1.00 0.00 C ATOM 1221 O ARG A 76 16.848 -18.238 18.545 1.00 0.00 O ATOM 1222 CB ARG A 76 14.543 -19.123 16.578 1.00 0.00 C ATOM 1223 CG ARG A 76 13.091 -19.582 16.642 1.00 0.00 C ATOM 1224 CD ARG A 76 12.851 -20.702 15.631 1.00 0.00 C ATOM 1225 NE ARG A 76 11.463 -21.174 15.686 1.00 0.00 N ATOM 1226 CZ ARG A 76 10.956 -22.100 14.869 1.00 0.00 C ATOM 1227 NH1 ARG A 76 11.711 -22.666 13.931 1.00 0.00 N ATOM 1228 NH2 ARG A 76 9.683 -22.467 14.989 1.00 0.00 N ATOM 0 H ARG A 76 13.786 -16.887 15.924 1.00 0.00 H new ATOM 0 HA ARG A 76 14.308 -18.102 18.465 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.810 -18.871 15.552 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.204 -19.931 16.891 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.856 -19.932 17.647 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.427 -18.744 16.433 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.077 -20.344 14.627 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.529 -21.531 15.834 1.00 0.00 H new ATOM 0 HE ARG A 76 10.848 -20.770 16.392 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.689 -22.394 13.830 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.312 -23.372 13.313 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.095 -22.041 15.705 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.295 -23.174 14.365 1.00 0.00 H new ATOM 1242 N ILE A 77 16.797 -16.732 16.877 1.00 0.00 N ATOM 1243 CA ILE A 77 18.212 -16.414 17.011 1.00 0.00 C ATOM 1244 C ILE A 77 18.448 -15.588 18.271 1.00 0.00 C ATOM 1245 O ILE A 77 19.452 -15.781 18.956 1.00 0.00 O ATOM 1246 CB ILE A 77 18.725 -15.651 15.783 1.00 0.00 C ATOM 1247 CG1 ILE A 77 18.344 -16.309 14.450 1.00 0.00 C ATOM 1248 CG2 ILE A 77 20.251 -15.527 15.875 1.00 0.00 C ATOM 1249 CD1 ILE A 77 18.790 -17.767 14.345 1.00 0.00 C ATOM 0 H ILE A 77 16.310 -16.218 16.142 1.00 0.00 H new ATOM 0 HA ILE A 77 18.763 -17.351 17.087 1.00 0.00 H new ATOM 0 HB ILE A 77 18.247 -14.671 15.792 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.263 -16.257 14.324 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.788 -15.741 13.633 1.00 0.00 H new ATOM 0 HG21 ILE A 77 20.625 -14.986 15.006 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.518 -14.985 16.782 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.696 -16.522 15.902 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.489 -18.171 13.378 1.00 0.00 H new ATOM 0 HD12 ILE A 77 19.874 -17.824 14.440 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.325 -18.348 15.142 1.00 0.00 H new ATOM 1261 N ALA A 78 17.535 -14.667 18.588 1.00 0.00 N ATOM 1262 CA ALA A 78 17.733 -13.760 19.709 1.00 0.00 C ATOM 1263 C ALA A 78 17.502 -14.444 21.055 1.00 0.00 C ATOM 1264 O ALA A 78 18.188 -14.130 22.025 1.00 0.00 O ATOM 1265 CB ALA A 78 16.810 -12.557 19.533 1.00 0.00 C ATOM 0 H ALA A 78 16.658 -14.534 18.085 1.00 0.00 H new ATOM 0 HA ALA A 78 18.772 -13.430 19.714 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.947 -11.868 20.366 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.049 -12.049 18.599 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.774 -12.894 19.508 1.00 0.00 H new ATOM 1271 N VAL A 79 16.546 -15.376 21.138 1.00 0.00 N ATOM 1272 CA VAL A 79 16.257 -16.041 22.401 1.00 0.00 C ATOM 1273 C VAL A 79 17.301 -17.110 22.715 1.00 0.00 C ATOM 1274 O VAL A 79 17.597 -17.350 23.883 1.00 0.00 O ATOM 1275 CB VAL A 79 14.834 -16.609 22.390 1.00 0.00 C ATOM 1276 CG1 VAL A 79 14.633 -17.646 21.289 1.00 0.00 C ATOM 1277 CG2 VAL A 79 14.520 -17.274 23.729 1.00 0.00 C ATOM 0 H VAL A 79 15.969 -15.680 20.353 1.00 0.00 H new ATOM 0 HA VAL A 79 16.313 -15.305 23.203 1.00 0.00 H new ATOM 0 HB VAL A 79 14.166 -15.768 22.207 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.609 -18.019 21.323 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.820 -17.187 20.318 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.326 -18.474 21.438 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.506 -17.673 23.708 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.226 -18.085 23.907 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.604 -16.538 24.529 1.00 0.00 H new ATOM 1287 N ASN A 80 17.867 -17.755 21.691 1.00 0.00 N ATOM 1288 CA ASN A 80 18.880 -18.774 21.922 1.00 0.00 C ATOM 1289 C ASN A 80 20.230 -18.130 22.240 1.00 0.00 C ATOM 1290 O ASN A 80 21.071 -18.758 22.881 1.00 0.00 O ATOM 1291 CB ASN A 80 18.974 -19.686 20.694 1.00 0.00 C ATOM 1292 CG ASN A 80 17.736 -20.556 20.517 1.00 0.00 C ATOM 1293 OD1 ASN A 80 16.854 -20.589 21.371 1.00 0.00 O ATOM 1294 ND2 ASN A 80 17.661 -21.271 19.399 1.00 0.00 N ATOM 0 H ASN A 80 17.642 -17.589 20.710 1.00 0.00 H new ATOM 0 HA ASN A 80 18.596 -19.377 22.784 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.116 -19.076 19.802 1.00 0.00 H new ATOM 0 HB3 ASN A 80 19.853 -20.324 20.786 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.853 -21.870 19.230 1.00 0.00 H new ATOM 0 HD22 ASN A 80 18.411 -21.220 18.710 1.00 0.00 H new ATOM 1301 N THR A 81 20.445 -16.884 21.803 1.00 0.00 N ATOM 1302 CA THR A 81 21.677 -16.169 22.111 1.00 0.00 C ATOM 1303 C THR A 81 21.636 -15.654 23.545 1.00 0.00 C ATOM 1304 O THR A 81 22.678 -15.542 24.186 1.00 0.00 O ATOM 1305 CB THR A 81 21.870 -15.017 21.117 1.00 0.00 C ATOM 1306 OG1 THR A 81 21.946 -15.539 19.809 1.00 0.00 O ATOM 1307 CG2 THR A 81 23.171 -14.265 21.385 1.00 0.00 C ATOM 0 H THR A 81 19.781 -16.356 21.237 1.00 0.00 H new ATOM 0 HA THR A 81 22.524 -16.848 22.019 1.00 0.00 H new ATOM 0 HB THR A 81 21.026 -14.337 21.229 1.00 0.00 H new ATOM 0 HG1 THR A 81 21.097 -15.385 19.345 1.00 0.00 H new ATOM 0 HG21 THR A 81 23.278 -13.455 20.664 1.00 0.00 H new ATOM 0 HG22 THR A 81 23.152 -13.853 22.394 1.00 0.00 H new ATOM 0 HG23 THR A 81 24.014 -14.950 21.289 1.00 0.00 H new ATOM 1315 N ALA A 82 20.443 -15.340 24.059 1.00 0.00 N ATOM 1316 CA ALA A 82 20.295 -14.836 25.414 1.00 0.00 C ATOM 1317 C ALA A 82 20.477 -15.946 26.444 1.00 0.00 C ATOM 1318 O ALA A 82 20.975 -15.696 27.541 1.00 0.00 O ATOM 1319 CB ALA A 82 18.913 -14.205 25.552 1.00 0.00 C ATOM 0 H ALA A 82 19.565 -15.429 23.548 1.00 0.00 H new ATOM 0 HA ALA A 82 21.068 -14.090 25.602 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.787 -13.822 26.565 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.814 -13.386 24.839 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.149 -14.955 25.351 1.00 0.00 H new ATOM 1325 N LYS A 83 20.083 -17.177 26.099 1.00 0.00 N ATOM 1326 CA LYS A 83 20.249 -18.317 26.992 1.00 0.00 C ATOM 1327 C LYS A 83 21.713 -18.741 27.027 1.00 0.00 C ATOM 1328 O LYS A 83 22.187 -19.237 28.046 1.00 0.00 O ATOM 1329 CB LYS A 83 19.348 -19.460 26.528 1.00 0.00 C ATOM 1330 CG LYS A 83 17.878 -19.071 26.709 1.00 0.00 C ATOM 1331 CD LYS A 83 16.972 -20.146 26.111 1.00 0.00 C ATOM 1332 CE LYS A 83 15.515 -19.722 26.271 1.00 0.00 C ATOM 1333 NZ LYS A 83 14.598 -20.727 25.700 1.00 0.00 N ATOM 0 H LYS A 83 19.647 -17.404 25.205 1.00 0.00 H new ATOM 0 HA LYS A 83 19.958 -18.040 28.005 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.546 -19.689 25.481 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.567 -20.362 27.099 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.655 -18.945 27.768 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.685 -18.113 26.227 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.207 -20.291 25.057 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.142 -21.100 26.610 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.289 -19.580 27.328 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.357 -18.762 25.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.615 -20.410 25.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.799 -20.844 24.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.733 -21.636 26.187 1.00 0.00 H new ATOM 1347 N ASN A 84 22.433 -18.546 25.919 1.00 0.00 N ATOM 1348 CA ASN A 84 23.854 -18.849 25.853 1.00 0.00 C ATOM 1349 C ASN A 84 24.661 -17.739 26.533 1.00 0.00 C ATOM 1350 O ASN A 84 25.767 -17.973 27.021 1.00 0.00 O ATOM 1351 CB ASN A 84 24.252 -19.000 24.381 1.00 0.00 C ATOM 1352 CG ASN A 84 25.678 -19.508 24.215 1.00 0.00 C ATOM 1353 OD1 ASN A 84 26.234 -20.145 25.105 1.00 0.00 O ATOM 1354 ND2 ASN A 84 26.281 -19.224 23.065 1.00 0.00 N ATOM 0 H ASN A 84 22.045 -18.176 25.051 1.00 0.00 H new ATOM 0 HA ASN A 84 24.066 -19.780 26.379 1.00 0.00 H new ATOM 0 HB2 ASN A 84 23.564 -19.689 23.890 1.00 0.00 H new ATOM 0 HB3 ASN A 84 24.151 -18.037 23.879 1.00 0.00 H new ATOM 0 HD21 ASN A 84 27.237 -19.538 22.899 1.00 0.00 H new ATOM 0 HD22 ASN A 84 25.787 -18.692 22.348 1.00 0.00 H new